*HEADER    CELL INVASION                           23-FEB-17   5UY2              
*TITLE     PEPTIDE 38146 DERIVED FROM FRAGMENT 41-60 OF PLASMODIUM FALCIPARUM    
*TITLE    2 THROMBOSPONDIN-RELATED SPOROZOITE PROTEIN (TRSP)                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 20-MER PEPTIDE 38146;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: FRAGMENT 41-60 OF PLASMODIUM FALCIPARUM               
*COMPND   6 THROMBOSPONDIN-RELATED SPOROZOITE PROTEIN (TRSP)                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7;                      
*SOURCE   4 ORGANISM_TAXID: 36329                                                
*KEYWDS    DERIVED PEPTIDE, CHEMICALLY SYNTHESIZED, PF-TRSP PROTEIN, ALFA-HELIX  
*KEYWDS   2 RESIDUES 11-18., CELL INVASION                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    24                                                                    
*AUTHOR    A.BERMUDEZ,M.E.PATARROYO                                              
*REVDAT   1   13-JUN-18 5UY2    0                                                
# Restraints file 1: 38145.rstrnt
!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_15:HD1*   1:LEU_15:HD2*   1:LEU_15:CD1    1:LEU_15:CD2    1:LEU_15:CG    
!
#chiral
1:SER_1:CA         S
1:ASP_2:CA         S
1:THR_3:CA         S
1:THR_3:CB         R
1:ARG_4:CA         S
1:TYR_5:CA         S
1:ASN_6:CA         S
1:LYS_7:CA         S
1:ASP_8:CA         S
1:PHE_9:CA         S
1:ILE_10:CA        S
1:ILE_10:CB        S
1:ASN_11:CA        S
1:ASN_12:CA        S
1:LYS_13:CA        S
1:HIS_14:CA        S
1:LEU_15:CA        S
1:ASN_16:CA        S
1:GLU_17:CA        S
1:HIS_18:CA        S
1:ALA_19:CA        S
1:HIS_20:CA        S
!
#distance
1:ASP_2:O          1:ASN_6:HN          1.800  2.500 30.00 30.00 1000.000
1:ILE_10:O         1:HIS_14:HN         1.800  2.500 30.00 30.00 1000.000
1:ASN_12:O         1:ASN_16:HN         1.800  2.500 30.00 30.00 1000.000
1:HIS_14:O         1:HIS_18:HN         1.800  2.500 30.00 30.00 1000.000
!
#NOE_distance
1:SER_1:HN         1:SER_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_2:HN         1:ASP_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:THR_3:HN         1:THR_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ARG_4:HN         1:ARG_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:   
1:TYR_5:HN         1:TYR_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_6:HN         1:ASN_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_7:HN         1:LYS_7:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HN         1:ASP_8:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:PHE_9:HN         1:PHE_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HN        1:ILE_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HN        1:ASN_11:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_12:HN        1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HN        1:LYS_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_14:HN        1:HIS_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_15:HN        1:LEU_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_16:HN        1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HN        1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:HIS_18:HN        1:HIS_18:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ALA_19:HN        1:ALA_19:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_20:HN        1:HIS_20:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:SER_1:HBS        1:SER_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_1:HBR        1:SER_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_1:HBS        1:SER_1:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_1:HN         1:SER_1:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:SER_1:HN         1:SER_1:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASP_2:HN         1:ASP_2:HBR         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:   
1:ASP_2:HN         1:ASP_2:HBS         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:ASP_2:HBR        1:ASP_2:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:ASP_2:HBS        1:ASP_2:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:  
1:THR_3:HN         1:THR_3:HB          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:THR_3:HN         1:THR_3:HG2*        2.800  3.800  2.800 30.00 30.00 1000.000  0.00 !medium:
1:THR_3:HB         1:THR_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:THR_3:HG2*       1:THR_3:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ARG_4:HN         1:ARG_4:HB*         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:ARG_4:HG*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_4:HN         1:ARG_4:HD*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_4:HD*        1:ARG_4:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HB*        1:ARG_4:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HG*        1:ARG_4:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HD*        1:ARG_4:HB*         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HD*        1:ARG_4:HG*         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HB*        1:ARG_4:HG*         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_4:HH*        1:ARG_4:HG*         1.800  6.200  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_4:HH*        1:ARG_4:HD*         1.800  6.200  2.800 30.00 30.00 1000.000  0.00 !strong:
1:TYR_5:HN         1:TYR_5:HBR         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:  
1:TYR_5:HN         1:TYR_5:HBS         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:TYR_5:HBR        1:TYR_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:TYR_5:HBS        1:TYR_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:TYR_5:HD*        1:TYR_5:HBS         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:TYR_5:HD*        1:TYR_5:HBR         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:TYR_5:HD*        1:TYR_5:HA          1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:TYR_5:HD*        1:TYR_5:HE*         1.800  6.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_6:HD22       1:ASN_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LYS_7:HN         1:LYS_7:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:LYS_7:HN         1:LYS_7:HG*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LYS_7:HN         1:LYS_7:HD*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LYS_7:HB*        1:LYS_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_7:HG*        1:LYS_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_7:HD*        1:LYS_7:HA          2.800  3.800  2.800 30.00 30.00 1000.000  0.00 !medium:
1:LYS_7:HE*        1:LYS_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HBS        1:ASP_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HBR        1:ASP_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HBS        1:ASP_8:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HN         1:ASP_8:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ASP_8:HN         1:ASP_8:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HN         1:PHE_9:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:PHE_9:HN         1:PHE_9:HBS         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:PHE_9:HBR        1:PHE_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HBS        1:PHE_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HD*        1:PHE_9:HBS         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HD*        1:PHE_9:HBR         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HD*        1:PHE_9:HA          2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:PHE_9:HD*        1:PHE_9:HE*         2.800  7.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_10:HN        1:ILE_10:HB         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ILE_10:HN        1:ILE_10:HG1R       2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ILE_10:HN        1:ILE_10:HG1S       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HN        1:ILE_10:HD1*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HB        1:ILE_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HG1R      1:ILE_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HG1S      1:ILE_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HD1*      1:ILE_10:HA         3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_10:HB        1:ILE_10:HG1R       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HB        1:ILE_10:HG1S       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HB        1:ILE_10:HD1*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HG1R      1:ILE_10:HG1S       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HG1R      1:ILE_10:HD1*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HG1S      1:ILE_10:HD1*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_11:HN        1:ASN_11:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ASN_11:HN        1:ASN_11:HBR        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ASN_11:HBS       1:ASN_11:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HBR       1:ASN_11:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HD22      1:ASN_11:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HD22      1:ASN_11:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HD22      1:ASN_11:HBR        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:ASN_12:HN        1:ASN_12:HBS        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:  
1:ASN_12:HN        1:ASN_12:HBR        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ASN_12:HBS       1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HBR       1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HD22      1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HD22      1:ASN_12:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HD22      1:ASN_12:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LYS_13:HN        1:LYS_13:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:LYS_13:HN        1:LYS_13:HG*        2.800  3.800  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:LYS_13:HN        1:LYS_13:HD*        2.800  3.800  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:LYS_13:HB*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HG*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HD*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HE*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_15:HN        1:LEU_15:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_15:HN        1:LEU_15:HG         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HN        1:LEU_15:HDR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HN        1:LEU_15:HDS*       3.500  5.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HB*       1:LEU_15:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_15:HG        1:LEU_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HDR*      1:LEU_15:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HDS*      1:LEU_15:HA         3.500  5.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HB*       1:LEU_15:HG         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HB*       1:LEU_15:HDR*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HB*       1:LEU_15:HDS*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HG        1:LEU_15:HDR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HG        1:LEU_15:HDS*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HDS*      1:LEU_15:HDR*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_16:HN        1:ASN_16:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ASN_16:HN        1:ASN_16:HBR        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ASN_16:HBS       1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HBR       1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HD22      1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HD22      1:ASN_16:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HD22      1:ASN_16:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:GLU_17:HN        1:GLU_17:HBR        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:GLU_17:HN        1:GLU_17:HBS        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:GLU_17:HN        1:GLU_17:HGS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HN        1:GLU_17:HGR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HBR       1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HBS       1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HGS       1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HGR       1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_18:HN        1:HIS_18:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_18:HN        1:HIS_18:HBR        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:HIS_18:HBS       1:HIS_18:HD2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:HIS_18:HBR       1:HIS_18:HD2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_19:HN        1:ALA_19:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_20:HN        1:HIS_20:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_20:HN        1:HIS_20:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_20:HBS       1:HIS_20:HD2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:HIS_20:HBR       1:HIS_20:HD2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_1:HN         1:ASP_2:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_2:HN         1:THR_3:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:THR_3:HN         1:ARG_4:HN          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:TYR_5:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:TYR_5:HN         1:ASN_6:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_6:HN         1:LYS_7:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:   
1:LYS_7:HN         1:ASP_8:HN          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ASP_8:HN         1:PHE_9:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:PHE_9:HN         1:ILE_10:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:ILE_10:HN        1:ASN_11:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:   
1:ASN_11:HN        1:ASN_12:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:ASN_12:HN        1:LYS_13:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HN        1:HIS_14:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_14:HN        1:LEU_15:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:LEU_15:HN        1:ASN_16:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:ASN_16:HN        1:GLU_17:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_17:HN        1:HIS_18:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:HIS_18:HN        1:ALA_19:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_19:HN        1:HIS_20:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_2:HN         1:SER_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:         
1:THR_3:HN         1:ASP_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ARG_4:HN         1:THR_3:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:TYR_5:HN         1:ARG_4:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ASN_6:HN         1:TYR_5:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:       
1:LYS_7:HN         1:ASN_6:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:      
1:ASP_8:HN         1:LYS_7:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:      
1:PHE_9:HN         1:ASP_8:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:      
1:ILE_10:HN        1:PHE_9:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:         
1:ASN_11:HN        1:ILE_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:               
1:ASN_12:HN        1:ASN_11:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:   
1:LYS_13:HN        1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:           
1:HIS_14:HN        1:LYS_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LEU_15:HN        1:HIS_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HN        1:LEU_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:GLU_17:HN        1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:HIS_18:HN        1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_19:HN        1:HIS_18:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_20:HN        1:ALA_19:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:TYR_5:HN         1:THR_3:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_6:HN         1:ARG_4:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HN         1:TYR_5:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:PHE_9:HN         1:LYS_7:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_10:HN        1:ASP_8:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:ILE_10:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:LYS_13:HN        1:ASN_11:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_14:HN        1:ASN_12:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_10:HN        1:LYS_7:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:LYS_13:HN        1:ILE_10:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HN        1:LYS_13:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:GLU_17:HN        1:HIS_14:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_18:HN        1:LEU_15:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HN        1:ASN_12:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HN         1:THR_3:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASP_8:HN         1:ARG_4:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_11:HN        1:LYS_7:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_14:HN        1:ILE_10:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:ASP_8:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:LYS_13:HN        1:PHE_9:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HN        1:ASN_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_19:HN        1:LEU_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HN        1:ASN_11:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HB*        1:ILE_10:HA         3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_14:HB*       1:GLU_17:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:PHE_9:HA         1:ASN_6:HB*         3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_18:HA        1:LEU_15:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_6:HA         1:THR_3:HG2*        3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
!
#mixing_times
3.000000E+02 
!
#NMR_dihedral
1:SER_1:CA         1:SER_1:C          1:ASP_2:N          1:ASP_2:CA         178.000 180.000 500.00 500.00 1000.000
1:ASP_2:CA         1:ASP_2:C          1:THR_3:N          1:THR_3:CA         178.000 180.000 500.00 500.00 1000.000
1:THR_3:CA         1:THR_3:C          1:ARG_4:N          1:ARG_4:CA         178.000 180.000 500.00 500.00 1000.000
1:ARG_4:CA         1:ARG_4:C          1:TYR_5:N          1:TYR_5:CA         178.000 180.000 500.00 500.00 1000.000
1:TYR_5:CA         1:TYR_5:C          1:ASN_6:N          1:ASN_6:CA         178.000 180.000 500.00 500.00 1000.000
1:ASN_6:CA         1:ASN_6:C          1:LYS_7:N          1:LYS_7:CA         178.000 180.000 500.00 500.00 1000.000
1:LYS_7:CA         1:LYS_7:C          1:ASP_8:N          1:ASP_8:CA         178.000 180.000 500.00 500.00 1000.000
1:ASP_8:CA         1:ASP_8:C          1:PHE_9:N          1:PHE_9:CA         178.000 180.000 500.00 500.00 1000.000
1:PHE_9:CA         1:PHE_9:C          1:ILE_10:N         1:ILE_10:CA        178.000 180.000 500.00 500.00 1000.000
1:ILE_10:CA        1:ILE_10:C         1:ASN_11:N         1:ASN_11:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_11:CA        1:ASN_11:C         1:ASN_12:N         1:ASN_12:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_12:CA        1:ASN_12:C         1:LYS_13:N         1:LYS_13:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_13:CA        1:LYS_13:C         1:HIS_14:N         1:HIS_14:CA        178.000 180.000 500.00 500.00 1000.000
1:HIS_14:CA        1:HIS_14:C         1:LEU_15:N         1:LEU_15:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_15:CA        1:LEU_15:C         1:ASN_16:N         1:ASN_16:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_16:CA        1:ASN_16:C         1:GLU_17:N         1:GLU_17:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_17:CA        1:GLU_17:C         1:HIS_18:N         1:HIS_18:CA        178.000 180.000 500.00 500.00 1000.000
1:HIS_18:CA        1:HIS_18:C         1:ALA_19:N         1:ALA_19:CA        178.000 180.000 500.00 500.00 1000.000
1:ALA_19:CA        1:ALA_19:C         1:HIS_20:N         1:HIS_20:CA        178.000 180.000 500.00 500.00 1000.000
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H1       SER   1   3.852   7.118  10.502
    2    H2   SER   1           H2       SER   1   3.299   7.261  11.811
    3    H3   SER   1           H3       SER   1   4.767   6.412  11.339
    4    HA   SER   1           HA       SER   1   3.709   5.154   9.740
    5    HB2  SER   1           HB2      SER   1   3.763   3.771  11.526
    6    HB3  SER   1           HB3      SER   1   2.515   4.660  12.384
    7    HG   SER   1           HG       SER   1   2.172   3.089  10.031
    8    H    ASP   2           H        ASP   2   3.168   7.383   9.002
    9    HA   ASP   2           HA       ASP   2   0.572   7.145   7.592
   10    HB2  ASP   2           HB2      ASP   2   0.324   8.563   9.932
   11    HB3  ASP   2           HB3      ASP   2   1.129   9.830   9.052
   12    HD2  ASP   2           HD2      ASP   2  -2.767   9.061   8.637
   13    H    THR   3           H        THR   3   3.185   7.012   6.572
   14    HA   THR   3           HA       THR   3   4.510   9.196   5.482
   15    HB   THR   3           HB       THR   3   5.512   7.114   5.506
   16    HG1  THR   3           HG1      THR   3   6.276   7.001   3.406
   17   HG21  THR   3          HG21      THR   3   3.574   5.993   3.394
   18   HG22  THR   3          HG22      THR   3   5.012   5.196   4.095
   19   HG23  THR   3          HG23      THR   3   3.601   5.532   5.115
   20    H    ARG   4           H        ARG   4   2.542   7.481   3.074
   21    HA   ARG   4           HA       ARG   4   2.297   9.924   1.513
   22    HB2  ARG   4           HB2      ARG   4   0.524   7.427   1.132
   23    HB3  ARG   4           HB3      ARG   4   0.753   8.681  -0.044
   24    HG2  ARG   4           HG2      ARG   4   2.744   6.523   0.817
   25    HG3  ARG   4           HG3      ARG   4   1.901   6.674  -0.688
   26    HD2  ARG   4           HD2      ARG   4   3.283   8.966  -1.075
   27    HD3  ARG   4           HD3      ARG   4   4.270   8.458   0.289
   28    HE   ARG   4           HE       ARG   4   3.982   6.307  -1.684
   29   HH11  ARG   4          HH11      ARG   4   7.145   8.764  -2.162
   30   HH12  ARG   4          HH12      ARG   4   5.765   9.317  -1.087
   31   HH21  ARG   4          HH21      ARG   4   5.652   5.753  -2.913
   32   HH22  ARG   4          HH22      ARG   4   7.083   6.882  -3.127
   33    H    TYR   5           H        TYR   5  -0.243   7.993   2.919
   34    HA   TYR   5           HA       TYR   5  -1.681  10.199   4.123
   35    HB2  TYR   5           HB2      TYR   5  -2.341  10.571   1.713
   36    HB3  TYR   5           HB3      TYR   5  -3.128   9.024   1.771
   37    HD1  TYR   5           HD1      TYR   5  -3.096  12.432   3.380
   38    HD2  TYR   5           HD2      TYR   5  -5.418   8.879   2.660
   39    HE1  TYR   5           HE1      TYR   5  -5.097  13.551   4.264
   40    HE2  TYR   5           HE2      TYR   5  -7.409  10.009   3.549
   41    HH   TYR   5           HH       TYR   5  -7.262  13.374   4.723
   42    H    ASN   6           H        ASN   6  -0.600   8.092   5.437
   43    HA   ASN   6           HA       ASN   6  -1.259   6.631   7.113
   44    HB2  ASN   6           HB2      ASN   6  -3.612   7.567   7.150
   45    HB3  ASN   6           HB3      ASN   6  -4.081   6.318   6.024
   46   HD21  ASN   6          HD21      ASN   6  -3.431   5.235   9.943
   47   HD22  ASN   6          HD22      ASN   6  -2.901   6.875   9.314
   48    H    LYS   7           H        LYS   7   0.507   5.411   5.551
   49    HA   LYS   7           HA       LYS   7   1.095   3.152   4.470
   50    HB2  LYS   7           HB2      LYS   7  -1.681   2.266   5.122
   51    HB3  LYS   7           HB3      LYS   7  -0.201   1.374   5.063
   52    HG2  LYS   7           HG2      LYS   7  -1.099   3.265   7.305
   53    HG3  LYS   7           HG3      LYS   7  -1.146   1.531   7.354
   54    HD2  LYS   7           HD2      LYS   7   1.532   2.994   6.959
   55    HD3  LYS   7           HD3      LYS   7   0.808   2.945   8.543
   56    HE2  LYS   7           HE2      LYS   7   1.239   0.346   6.950
   57    HE3  LYS   7           HE3      LYS   7   2.563   1.104   7.840
   58    HZ1  LYS   7           HZ1      LYS   7   1.439  -0.555   9.154
   59    HZ2  LYS   7           HZ2      LYS   7  -0.020   0.250   9.034
   60    HZ3  LYS   7           HZ3      LYS   7   1.210   0.944   9.859
   61    H    ASP   8           H        ASP   8  -0.671   5.283   2.676
   62    HA   ASP   8           HA       ASP   8  -2.164   4.858   0.583
   63    HB2  ASP   8           HB2      ASP   8   0.102   5.611   0.331
   64    HB3  ASP   8           HB3      ASP   8   0.639   3.946   0.317
   65    HD2  ASP   8           HD2      ASP   8   1.458   5.245  -1.523
   66    H    PHE   9           H        PHE   9  -2.718   3.056   2.508
   67    HA   PHE   9           HA       PHE   9  -3.765   1.340   3.124
   68    HB2  PHE   9           HB2      PHE   9  -5.114   1.929   1.200
   69    HB3  PHE   9           HB3      PHE   9  -4.235   0.781   0.225
   70    HD1  PHE   9           HD1      PHE   9  -4.938  -1.531   0.143
   71    HD2  PHE   9           HD2      PHE   9  -6.585   1.072   3.102
   72    HE1  PHE   9           HE1      PHE   9  -6.672  -3.302   0.756
   73    HE2  PHE   9           HE2      PHE   9  -8.310  -0.717   3.696
   74    HZ   PHE   9           HZ       PHE   9  -8.292  -2.836   2.507
   75    H    ILE  10           H        ILE  10  -0.697   0.455   1.726
   76    HA   ILE  10           HA       ILE  10  -0.905  -2.072   3.235
   77    HB   ILE  10           HB       ILE  10   0.457  -1.856   0.636
   78   HG12  ILE  10          HG12      ILE  10  -2.195  -3.060   0.813
   79   HG13  ILE  10          HG13      ILE  10  -2.104  -1.409   0.455
   80   HG21  ILE  10          HG21      ILE  10   1.106  -3.835   2.111
   81   HG22  ILE  10          HG22      ILE  10  -0.596  -4.337   2.148
   82   HG23  ILE  10          HG23      ILE  10   0.312  -4.362   0.616
   83   HD11  ILE  10          HD11      ILE  10  -2.201  -2.357  -1.675
   84   HD12  ILE  10          HD12      ILE  10  -0.743  -1.399  -1.358
   85   HD13  ILE  10          HD13      ILE  10  -0.595  -3.182  -1.388
   86    H    ASN  11           H        ASN  11   0.604  -0.287   4.775
   87    HA   ASN  11           HA       ASN  11   2.749   0.668   5.426
   88    HB2  ASN  11           HB2      ASN  11   2.790  -1.804   5.737
   89    HB3  ASN  11           HB3      ASN  11   3.714  -1.887   4.265
   90   HD21  ASN  11          HD21      ASN  11   5.574  -0.647   7.724
   91   HD22  ASN  11          HD22      ASN  11   3.748  -0.793   7.598
   92    H    ASN  12           H        ASN  12   1.889   1.488   2.395
   93    HA   ASN  12           HA       ASN  12   2.764   3.249   1.225
   94    HB2  ASN  12           HB2      ASN  12   4.750   3.481   2.684
   95    HB3  ASN  12           HB3      ASN  12   5.501   2.304   1.695
   96   HD21  ASN  12          HD21      ASN  12   5.361   6.139   0.541
   97   HD22  ASN  12          HD22      ASN  12   4.787   5.220   2.053
   98    H    LYS  13           H        LYS  13   1.359   0.991   0.300
   99    HA   LYS  13           HA       LYS  13   1.115  -0.395  -1.469
  100    HB2  LYS  13           HB2      LYS  13   3.159   1.333  -2.925
  101    HB3  LYS  13           HB3      LYS  13   2.220   0.075  -3.705
  102    HG2  LYS  13           HG2      LYS  13   1.090   2.563  -2.351
  103    HG3  LYS  13           HG3      LYS  13   1.296   2.365  -4.075
  104    HD2  LYS  13           HD2      LYS  13  -0.633   0.773  -2.278
  105    HD3  LYS  13           HD3      LYS  13  -1.083   2.088  -3.324
  106    HE2  LYS  13           HE2      LYS  13   0.022  -0.631  -4.312
  107    HE3  LYS  13           HE3      LYS  13  -1.677  -0.188  -4.235
  108    HZ1  LYS  13           HZ1      LYS  13  -0.798   0.132  -6.426
  109    HZ2  LYS  13           HZ2      LYS  13  -1.237   1.617  -5.797
  110    HZ3  LYS  13           HZ3      LYS  13   0.346   1.221  -5.881
  111    H    HIS  14           H        HIS  14   1.866  -1.854  -0.050
  112    HA   HIS  14           HA       HIS  14   2.834  -3.946   0.459
  113    HB2  HIS  14           HB2      HIS  14   2.106  -4.451  -1.924
  114    HB3  HIS  14           HB3      HIS  14   3.760  -4.152  -2.445
  115    HD2  HIS  14           HD2      HIS  14   4.883  -6.524  -2.778
  116    HE1  HIS  14           HE1      HIS  14   3.492  -8.482   0.620
  117    HE2  HIS  14           HE2      HIS  14   5.022  -8.803  -1.423
  118    H    LEU  15           H        LEU  15   4.107  -2.114   1.608
  119    HA   LEU  15           HA       LEU  15   6.107  -1.346   2.532
  120    HB2  LEU  15           HB2      LEU  15   7.347  -4.042   1.729
  121    HB3  LEU  15           HB3      LEU  15   7.905  -2.919   2.938
  122    HG   LEU  15           HG       LEU  15   5.635  -3.408   4.250
  123   HD11  LEU  15          HD11      LEU  15   5.792  -5.910   2.322
  124   HD12  LEU  15          HD12      LEU  15   4.830  -5.877   3.804
  125   HD13  LEU  15          HD13      LEU  15   4.416  -4.812   2.465
  126   HD21  LEU  15          HD21      LEU  15   7.887  -5.592   3.915
  127   HD22  LEU  15          HD22      LEU  15   7.986  -4.186   4.982
  128   HD23  LEU  15          HD23      LEU  15   6.809  -5.466   5.310
  129    H    ASN  16           H        ASN  16   5.636  -0.341  -0.045
  130    HA   ASN  16           HA       ASN  16   6.652   0.761  -1.817
  131    HB2  ASN  16           HB2      ASN  16   7.493   1.904   0.053
  132    HB3  ASN  16           HB3      ASN  16   8.925   0.972   0.083
  133   HD21  ASN  16          HD21      ASN  16   8.765   4.189  -2.239
  134   HD22  ASN  16          HD22      ASN  16   7.517   3.410  -1.093
  135    H    GLU  17           H        GLU  17   6.308  -1.332  -3.036
  136    HA   GLU  17           HA       GLU  17   6.794  -3.254  -4.029
  137    HB2  GLU  17           HB2      GLU  17   8.798  -1.383  -5.175
  138    HB3  GLU  17           HB3      GLU  17   8.188  -2.871  -5.888
  139    HG2  GLU  17           HG2      GLU  17   5.835  -2.034  -5.811
  140    HG3  GLU  17           HG3      GLU  17   6.377  -0.545  -5.124
  141    HE2  GLU  17           HE2      GLU  17   7.599   0.834  -8.075
  142    H    HIS  18           H        HIS  18   7.449  -4.292  -1.952
  143    HA   HIS  18           HA       HIS  18   8.788  -5.616  -0.585
  144    HB2  HIS  18           HB2      HIS  18   8.189  -6.927  -2.668
  145    HB3  HIS  18           HB3      HIS  18   9.794  -6.609  -3.289
  146    HD2  HIS  18           HD2      HIS  18   9.484  -9.414  -3.222
  147    HE1  HIS  18           HE1      HIS  18  10.595  -9.812   0.773
  148    HE2  HIS  18           HE2      HIS  18  10.279 -11.187  -1.381
  149    H    ALA  19           H        ALA  19   9.864  -3.534   0.046
  150    HA   ALA  19           HA       ALA  19  11.714  -2.353   0.810
  151    HB1  ALA  19           HB1      ALA  19  13.158  -5.063   0.718
  152    HB2  ALA  19           HB2      ALA  19  13.662  -3.628   1.641
  153    HB3  ALA  19           HB3      ALA  19  12.137  -4.444   2.040
  154    H    HIS  20           H        HIS  20  11.879  -0.979  -0.998
  155    HA   HIS  20           HA       HIS  20  13.706  -1.508  -3.201
  156    HB2  HIS  20           HB2      HIS  20  11.633  -0.007  -3.257
  157    HB3  HIS  20           HB3      HIS  20  12.560   1.219  -2.412
  158    HD2  HIS  20           HD2      HIS  20  11.688   2.373  -4.833
  159    HE1  HIS  20           HE1      HIS  20  14.869   0.903  -7.086
  160    HE2  HIS  20           HE2      HIS  20  12.994   2.665  -7.151
  161    HXT  HIS  20           HXT      HIS  20  16.814  -0.335  -1.850
  Start of MODEL    2
    1    H1   SER   1           H1       SER   1  -9.319  12.035   9.906
    2    H2   SER   1           H2       SER   1  -8.465  11.111   9.229
    3    H3   SER   1           H3       SER   1 -10.030  10.797   9.969
    4    HA   SER   1           HA       SER   1  -7.552  11.825  11.276
    5    HB2  SER   1           HB2      SER   1  -9.570  13.334  11.148
    6    HB3  SER   1           HB3      SER   1 -10.359  12.176  12.235
    7    HG   SER   1           HG       SER   1  -8.645  12.516  13.704
    8    H    ASP   2           H        ASP   2  -7.915   9.038  10.863
    9    HA   ASP   2           HA       ASP   2  -7.186   7.982  13.421
   10    HB2  ASP   2           HB2      ASP   2  -9.880   8.009  13.648
   11    HB3  ASP   2           HB3      ASP   2  -9.879   6.745  12.458
   12    HD2  ASP   2           HD2      ASP   2  -9.154   7.646  15.570
   13    H    THR   3           H        THR   3  -5.475   7.728  11.752
   14    HA   THR   3           HA       THR   3  -5.452   6.281   9.616
   15    HB   THR   3           HB       THR   3  -3.170   5.997  11.507
   16    HG1  THR   3           HG1      THR   3  -2.591   8.129  11.045
   17   HG21  THR   3          HG21      THR   3  -3.443   6.972   8.599
   18   HG22  THR   3          HG22      THR   3  -1.892   6.712   9.458
   19   HG23  THR   3          HG23      THR   3  -2.958   5.317   9.066
   20    H    ARG   4           H        ARG   4  -6.045   4.537  12.562
   21    HA   ARG   4           HA       ARG   4  -5.040   1.941  11.791
   22    HB2  ARG   4           HB2      ARG   4  -7.504   2.548  13.609
   23    HB3  ARG   4           HB3      ARG   4  -6.779   0.982  13.409
   24    HG2  ARG   4           HG2      ARG   4  -5.824   1.575  15.388
   25    HG3  ARG   4           HG3      ARG   4  -4.535   2.002  14.303
   26    HD2  ARG   4           HD2      ARG   4  -5.331   4.517  14.408
   27    HD3  ARG   4           HD3      ARG   4  -6.649   4.034  15.456
   28    HE   ARG   4           HE       ARG   4  -4.160   3.087  16.596
   29   HH11  ARG   4          HH11      ARG   4  -5.106   6.906  17.501
   30   HH12  ARG   4          HH12      ARG   4  -5.928   6.119  16.062
   31   HH21  ARG   4          HH21      ARG   4  -3.253   4.105  18.262
   32   HH22  ARG   4          HH22      ARG   4  -3.694   5.840  18.662
   33    H    TYR   5           H        TYR   5  -8.366   3.239  11.589
   34    HA   TYR   5           HA       TYR   5  -9.420   1.264   9.795
   35    HB2  TYR   5           HB2      TYR   5 -10.523   4.038  10.122
   36    HB3  TYR   5           HB3      TYR   5 -11.324   2.664   9.478
   37    HD1  TYR   5           HD1      TYR   5 -11.538   0.497  11.085
   38    HD2  TYR   5           HD2      TYR   5 -10.986   4.542  12.445
   39    HE1  TYR   5           HE1      TYR   5 -12.478  -0.102  13.274
   40    HE2  TYR   5           HE2      TYR   5 -11.922   3.929  14.629
   41    HH   TYR   5           HH       TYR   5 -12.788   2.311  15.881
   42    H    ASN   6           H        ASN   6  -7.642   4.239   9.073
   43    HA   ASN   6           HA       ASN   6  -8.357   4.361   6.234
   44    HB2  ASN   6           HB2      ASN   6  -5.976   5.743   7.567
   45    HB3  ASN   6           HB3      ASN   6  -6.551   6.054   5.957
   46   HD21  ASN   6          HD21      ASN   6  -9.498   7.942   7.125
   47   HD22  ASN   6          HD22      ASN   6  -9.099   6.592   5.946
   48    H    LYS   7           H        LYS   7  -6.262   2.114   7.728
   49    HA   LYS   7           HA       LYS   7  -4.514   0.703   6.947
   50    HB2  LYS   7           HB2      LYS   7  -5.355   1.364   4.136
   51    HB3  LYS   7           HB3      LYS   7  -4.539  -0.055   4.774
   52    HG2  LYS   7           HG2      LYS   7  -7.466   0.706   5.231
   53    HG3  LYS   7           HG3      LYS   7  -6.848  -0.582   4.235
   54    HD2  LYS   7           HD2      LYS   7  -6.910  -2.048   5.946
   55    HD3  LYS   7           HD3      LYS   7  -5.757  -1.108   6.878
   56    HE2  LYS   7           HE2      LYS   7  -7.608   0.276   7.838
   57    HE3  LYS   7           HE3      LYS   7  -8.806  -0.624   6.898
   58    HZ1  LYS   7           HZ1      LYS   7  -7.009  -1.777   8.944
   59    HZ2  LYS   7           HZ2      LYS   7  -8.642  -1.474   9.117
   60    HZ3  LYS   7           HZ3      LYS   7  -8.150  -2.627   8.069
   61    H    ASP   8           H        ASP   8  -3.771   3.870   6.768
   62    HA   ASP   8           HA       ASP   8  -1.710   5.152   5.873
   63    HB2  ASP   8           HB2      ASP   8  -1.245   4.353   7.971
   64    HB3  ASP   8           HB3      ASP   8  -1.049   2.714   7.417
   65    HD2  ASP   8           HD2      ASP   8   2.334   3.079   6.847
   66    H    PHE   9           H        PHE   9  -3.113   4.059   3.842
   67    HA   PHE   9           HA       PHE   9  -3.040   3.520   1.572
   68    HB2  PHE   9           HB2      PHE   9  -1.528   5.377   1.762
   69    HB3  PHE   9           HB3      PHE   9  -0.184   4.268   1.838
   70    HD1  PHE   9           HD1      PHE   9   1.036   4.341  -0.158
   71    HD2  PHE   9           HD2      PHE   9  -3.222   4.671  -0.391
   72    HE1  PHE   9           HE1      PHE   9   1.178   4.679  -2.682
   73    HE2  PHE   9           HE2      PHE   9  -3.045   4.958  -2.919
   74    HZ   PHE   9           HZ       PHE   9  -0.857   4.958  -3.974
   75    H    ILE  10           H        ILE  10  -2.995   0.837   3.370
   76    HA   ILE  10           HA       ILE  10  -2.088  -1.151   3.631
   77    HB   ILE  10           HB       ILE  10  -2.470  -0.617   0.774
   78   HG12  ILE  10          HG12      ILE  10  -4.314  -2.336   2.329
   79   HG13  ILE  10          HG13      ILE  10  -4.294  -0.658   2.786
   80   HG21  ILE  10          HG21      ILE  10  -2.057  -3.435   1.952
   81   HG22  ILE  10          HG22      ILE  10  -1.076  -2.677   0.673
   82   HG23  ILE  10          HG23      ILE  10  -2.753  -3.120   0.344
   83   HD11  ILE  10          HD11      ILE  10  -4.780   0.143   0.538
   84   HD12  ILE  10          HD12      ILE  10  -4.885  -1.540  -0.065
   85   HD13  ILE  10          HD13      ILE  10  -6.050  -0.936   1.160
   86    H    ASN  11           H        ASN  11  -0.271  -0.364   4.770
   87    HA   ASN  11           HA       ASN  11   2.030  -0.159   5.329
   88    HB2  ASN  11           HB2      ASN  11   1.453  -2.585   4.979
   89    HB3  ASN  11           HB3      ASN  11   2.300  -2.452   3.466
   90   HD21  ASN  11          HD21      ASN  11   4.444  -2.631   6.988
   91   HD22  ASN  11          HD22      ASN  11   2.628  -2.362   6.957
   92    H    ASN  12           H        ASN  12   1.276   1.673   2.730
   93    HA   ASN  12           HA       ASN  12   2.350   2.954   1.231
   94    HB2  ASN  12           HB2      ASN  12   3.581   3.623   3.180
   95    HB3  ASN  12           HB3      ASN  12   4.782   2.466   2.852
   96   HD21  ASN  12          HD21      ASN  12   4.930   6.066   1.149
   97   HD22  ASN  12          HD22      ASN  12   3.682   5.264   2.274
   98    H    LYS  13           H        LYS  13   1.544   0.956   0.020
   99    HA   LYS  13           HA       LYS  13   1.722  -0.464  -1.794
  100    HB2  LYS  13           HB2      LYS  13   4.248   1.110  -2.492
  101    HB3  LYS  13           HB3      LYS  13   3.456  -0.017  -3.571
  102    HG2  LYS  13           HG2      LYS  13   2.258   2.593  -2.515
  103    HG3  LYS  13           HG3      LYS  13   2.927   2.346  -4.110
  104    HD2  LYS  13           HD2      LYS  13   0.382   0.993  -3.005
  105    HD3  LYS  13           HD3      LYS  13   0.439   2.375  -4.086
  106    HE2  LYS  13           HE2      LYS  13   1.563   0.959  -5.877
  107    HE3  LYS  13           HE3      LYS  13   1.464  -0.453  -4.813
  108    HZ1  LYS  13           HZ1      LYS  13  -0.937  -0.201  -4.806
  109    HZ2  LYS  13           HZ2      LYS  13  -0.363  -0.351  -6.369
  110    HZ3  LYS  13           HZ3      LYS  13  -0.840   1.116  -5.829
  111    H    HIS  14           H        HIS  14   2.342  -1.712   0.414
  112    HA   HIS  14           HA       HIS  14   3.370  -3.621   1.338
  113    HB2  HIS  14           HB2      HIS  14   3.696  -4.478  -1.595
  114    HB3  HIS  14           HB3      HIS  14   3.944  -5.524  -0.217
  115    HD2  HIS  14           HD2      HIS  14   1.720  -6.108   1.392
  116    HE1  HIS  14           HE1      HIS  14  -1.089  -5.206  -1.542
  117    HE2  HIS  14           HE2      HIS  14  -0.834  -6.386   0.728
  118    H    LEU  15           H        LEU  15   4.915  -1.923   2.017
  119    HA   LEU  15           HA       LEU  15   7.044  -1.129   2.475
  120    HB2  LEU  15           HB2      LEU  15   8.098  -3.874   1.557
  121    HB3  LEU  15           HB3      LEU  15   8.938  -2.684   2.511
  122    HG   LEU  15           HG       LEU  15   7.136  -3.041   4.406
  123   HD11  LEU  15          HD11      LEU  15   6.667  -5.644   2.661
  124   HD12  LEU  15          HD12      LEU  15   6.138  -5.473   4.340
  125   HD13  LEU  15          HD13      LEU  15   5.418  -4.471   3.087
  126   HD21  LEU  15          HD21      LEU  15   9.564  -3.903   4.472
  127   HD22  LEU  15          HD22      LEU  15   8.485  -5.113   5.188
  128   HD23  LEU  15          HD23      LEU  15   9.112  -5.343   3.549
  129    H    ASN  16           H        ASN  16   6.035  -0.272  -0.009
  130    HA   ASN  16           HA       ASN  16   6.618   0.693  -2.020
  131    HB2  ASN  16           HB2      ASN  16   7.732   2.018  -0.323
  132    HB3  ASN  16           HB3      ASN  16   9.200   1.208  -0.648
  133   HD21  ASN  16          HD21      ASN  16   8.110   4.317  -2.875
  134   HD22  ASN  16          HD22      ASN  16   7.273   3.436  -1.462
  135    H    GLU  17           H        GLU  17   6.305  -1.572  -2.960
  136    HA   GLU  17           HA       GLU  17   6.793  -3.475  -3.917
  137    HB2  GLU  17           HB2      GLU  17   8.542  -1.646  -5.469
  138    HB3  GLU  17           HB3      GLU  17   7.901  -3.215  -5.947
  139    HG2  GLU  17           HG2      GLU  17   5.546  -2.436  -5.625
  140    HG3  GLU  17           HG3      GLU  17   6.123  -0.876  -5.162
  141    HE2  GLU  17           HE2      GLU  17   6.042  -2.006  -9.049
  142    H    HIS  18           H        HIS  18   7.676  -4.431  -1.948
  143    HA   HIS  18           HA       HIS  18   9.103  -5.677  -0.683
  144    HB2  HIS  18           HB2      HIS  18   8.807  -6.938  -2.793
  145    HB3  HIS  18           HB3      HIS  18  10.342  -6.337  -3.381
  146    HD2  HIS  18           HD2      HIS  18  10.488  -9.159  -3.440
  147    HE1  HIS  18           HE1      HIS  18  11.709  -9.526   0.526
  148    HE2  HIS  18           HE2      HIS  18  11.599 -10.847  -1.681
  149    H    ALA  19           H        ALA  19  10.055  -4.270   0.630
  150    HA   ALA  19           HA       ALA  19  11.799  -3.395   1.854
  151    HB1  ALA  19           HB1      ALA  19  14.171  -3.855   1.444
  152    HB2  ALA  19           HB2      ALA  19  13.825  -4.477  -0.185
  153    HB3  ALA  19           HB3      ALA  19  13.206  -5.332   1.250
  154    H    HIS  20           H        HIS  20  11.472  -1.292   1.875
  155    HA   HIS  20           HA       HIS  20  11.916   0.526  -0.339
  156    HB2  HIS  20           HB2      HIS  20  10.239   0.800   1.566
  157    HB3  HIS  20           HB3      HIS  20  11.557   1.293   2.613
  158    HD2  HIS  20           HD2      HIS  20   9.659   3.393   2.578
  159    HE1  HIS  20           HE1      HIS  20  11.197   5.181  -0.856
  160    HE2  HIS  20           HE2      HIS  20   9.641   5.651   1.140
  161    HXT  HIS  20           HXT      HIS  20  15.373   1.398   0.071
  Start of MODEL    3
    1    H1   SER   1           H1       SER   1  -5.116   1.325  14.639
    2    H2   SER   1           H2       SER   1  -5.669   1.964  15.789
    3    H3   SER   1           H3       SER   1  -5.451   0.245  15.511
    4    HA   SER   1           HA       SER   1  -3.356   2.360  15.827
    5    HB2  SER   1           HB2      SER   1  -3.617   0.652  17.675
    6    HB3  SER   1           HB3      SER   1  -3.053  -0.537  16.491
    7    HG   SER   1           HG       SER   1  -1.696   1.830  17.263
    8    H    ASP   2           H        ASP   2  -4.517   1.866  13.323
    9    HA   ASP   2           HA       ASP   2  -4.025   1.710  11.106
   10    HB2  ASP   2           HB2      ASP   2  -1.998   3.170  12.072
   11    HB3  ASP   2           HB3      ASP   2  -1.089   1.700  12.069
   12    HD2  ASP   2           HD2      ASP   2  -0.296   1.859   8.699
   13    H    THR   3           H        THR   3  -3.953  -0.808  12.566
   14    HA   THR   3           HA       THR   3  -3.225  -3.059  12.558
   15    HB   THR   3           HB       THR   3  -5.389  -2.795  11.592
   16    HG1  THR   3           HG1      THR   3  -4.454  -4.819  11.854
   17   HG21  THR   3          HG21      THR   3  -4.046  -2.907   8.843
   18   HG22  THR   3          HG22      THR   3  -5.802  -3.081   9.158
   19   HG23  THR   3          HG23      THR   3  -4.988  -1.546   9.509
   20    H    ARG   4           H        ARG   4  -1.026  -1.347  11.021
   21    HA   ARG   4           HA       ARG   4   0.957  -1.697   9.917
   22    HB2  ARG   4           HB2      ARG   4   0.987  -4.300  11.636
   23    HB3  ARG   4           HB3      ARG   4   2.364  -3.662  10.787
   24    HG2  ARG   4           HG2      ARG   4   2.821  -2.816  12.837
   25    HG3  ARG   4           HG3      ARG   4   2.050  -1.431  12.124
   26    HD2  ARG   4           HD2      ARG   4  -0.173  -2.046  13.377
   27    HD3  ARG   4           HD3      ARG   4   0.596  -3.484  14.015
   28    HE   ARG   4           HE       ARG   4   2.212  -1.151  14.657
   29   HH11  ARG   4          HH11      ARG   4  -0.742  -1.985  17.277
   30   HH12  ARG   4          HH12      ARG   4  -0.825  -2.726  15.601
   31   HH21  ARG   4          HH21      ARG   4   2.212  -0.331  16.645
   32   HH22  ARG   4          HH22      ARG   4   0.863  -0.719  17.826
   33    H    TYR   5           H        TYR   5  -1.253  -2.544   8.451
   34    HA   TYR   5           HA       TYR   5   0.029  -3.790   6.197
   35    HB2  TYR   5           HB2      TYR   5  -0.442  -5.858   7.623
   36    HB3  TYR   5           HB3      TYR   5  -2.122  -5.445   7.496
   37    HD1  TYR   5           HD1      TYR   5   0.890  -6.250   5.342
   38    HD2  TYR   5           HD2      TYR   5  -3.397  -6.428   5.678
   39    HE1  TYR   5           HE1      TYR   5   0.775  -7.572   3.273
   40    HE2  TYR   5           HE2      TYR   5  -3.498  -7.746   3.609
   41    HH   TYR   5           HH       TYR   5  -0.540  -8.606   1.812
   42    H    ASN   6           H        ASN   6  -2.676  -1.872   7.442
   43    HA   ASN   6           HA       ASN   6  -3.629  -1.775   4.630
   44    HB2  ASN   6           HB2      ASN   6  -5.882  -1.853   6.577
   45    HB3  ASN   6           HB3      ASN   6  -5.907  -1.774   4.834
   46   HD21  ASN   6          HD21      ASN   6  -5.550  -5.349   4.370
   47   HD22  ASN   6          HD22      ASN   6  -5.398  -3.689   3.599
   48    H    LYS   7           H        LYS   7  -3.811  -0.087   7.750
   49    HA   LYS   7           HA       LYS   7  -5.014   2.143   6.338
   50    HB2  LYS   7           HB2      LYS   7  -3.839   2.084   9.108
   51    HB3  LYS   7           HB3      LYS   7  -4.840   3.405   8.520
   52    HG2  LYS   7           HG2      LYS   7  -5.707   0.554   9.193
   53    HG3  LYS   7           HG3      LYS   7  -6.201   2.025   9.992
   54    HD2  LYS   7           HD2      LYS   7  -6.981   1.174   7.129
   55    HD3  LYS   7           HD3      LYS   7  -7.969   0.979   8.566
   56    HE2  LYS   7           HE2      LYS   7  -8.058   3.509   8.874
   57    HE3  LYS   7           HE3      LYS   7  -7.083   3.715   7.412
   58    HZ1  LYS   7           HZ1      LYS   7  -9.416   3.921   6.951
   59    HZ2  LYS   7           HZ2      LYS   7  -8.828   2.568   6.164
   60    HZ3  LYS   7           HZ3      LYS   7  -9.731   2.380   7.514
   61    H    ASP   8           H        ASP   8  -1.627   1.797   6.428
   62    HA   ASP   8           HA       ASP   8  -1.150   4.821   6.187
   63    HB2  ASP   8           HB2      ASP   8   0.268   3.465   7.808
   64    HB3  ASP   8           HB3      ASP   8   0.877   2.613   6.397
   65    HD2  ASP   8           HD2      ASP   8   1.965   6.436   7.198
   66    H    PHE   9           H        PHE   9  -2.767   3.692   4.330
   67    HA   PHE   9           HA       PHE   9  -3.259   3.297   2.070
   68    HB2  PHE   9           HB2      PHE   9  -1.975   5.278   1.942
   69    HB3  PHE   9           HB3      PHE   9  -0.508   4.371   1.684
   70    HD1  PHE   9           HD1      PHE   9   0.207   4.110  -0.543
   71    HD2  PHE   9           HD2      PHE   9  -3.958   4.704   0.205
   72    HE1  PHE   9           HE1      PHE   9  -0.228   4.318  -3.046
   73    HE2  PHE   9           HE2      PHE   9  -4.369   4.867  -2.310
   74    HZ   PHE   9           HZ       PHE   9  -2.496   4.669  -3.845
   75    H    ILE  10           H        ILE  10  -2.953   0.677   3.475
   76    HA   ILE  10           HA       ILE  10  -1.998  -1.130   3.808
   77    HB   ILE  10           HB       ILE  10  -2.273  -0.744   0.898
   78   HG12  ILE  10          HG12      ILE  10  -4.141  -2.476   2.408
   79   HG13  ILE  10          HG13      ILE  10  -4.213  -0.776   2.781
   80   HG21  ILE  10          HG21      ILE  10  -2.484  -3.261   0.505
   81   HG22  ILE  10          HG22      ILE  10  -0.836  -2.778   0.899
   82   HG23  ILE  10          HG23      ILE  10  -1.854  -3.532   2.146
   83   HD11  ILE  10          HD11      ILE  10  -5.855  -1.174   1.090
   84   HD12  ILE  10          HD12      ILE  10  -4.584  -0.077   0.500
   85   HD13  ILE  10          HD13      ILE  10  -4.605  -1.782  -0.052
   86    H    ASN  11           H        ASN  11  -0.206  -0.275   4.921
   87    HA   ASN  11           HA       ASN  11   2.099  -0.016   5.492
   88    HB2  ASN  11           HB2      ASN  11   1.561  -2.458   5.270
   89    HB3  ASN  11           HB3      ASN  11   2.411  -2.399   3.756
   90   HD21  ASN  11          HD21      ASN  11   4.532  -2.369   7.297
   91   HD22  ASN  11          HD22      ASN  11   2.713  -2.123   7.239
   92    H    ASN  12           H        ASN  12   1.322   1.601   2.767
   93    HA   ASN  12           HA       ASN  12   2.373   2.981   1.356
   94    HB2  ASN  12           HB2      ASN  12   3.731   3.616   3.220
   95    HB3  ASN  12           HB3      ASN  12   4.863   2.410   2.843
   96   HD21  ASN  12          HD21      ASN  12   5.094   5.996   1.125
   97   HD22  ASN  12          HD22      ASN  12   3.862   5.249   2.309
   98    H    LYS  13           H        LYS  13   1.437   1.038   0.131
   99    HA   LYS  13           HA       LYS  13   1.518  -0.426  -1.659
  100    HB2  LYS  13           HB2      LYS  13   3.950   1.233  -2.497
  101    HB3  LYS  13           HB3      LYS  13   3.186   0.050  -3.531
  102    HG2  LYS  13           HG2      LYS  13   1.854   2.602  -2.465
  103    HG3  LYS  13           HG3      LYS  13   2.476   2.354  -4.080
  104    HD2  LYS  13           HD2      LYS  13   0.076   0.897  -2.817
  105    HD3  LYS  13           HD3      LYS  13  -0.013   2.193  -3.977
  106    HE2  LYS  13           HE2      LYS  13   1.153  -0.605  -4.585
  107    HE3  LYS  13           HE3      LYS  13  -0.476  -0.071  -4.968
  108    HZ1  LYS  13           HZ1      LYS  13   0.456   1.623  -6.407
  109    HZ2  LYS  13           HZ2      LYS  13   2.010   1.111  -6.064
  110    HZ3  LYS  13           HZ3      LYS  13   0.993   0.105  -6.854
  111    H    HIS  14           H        HIS  14   2.192  -1.691   0.426
  112    HA   HIS  14           HA       HIS  14   3.223  -3.638   1.296
  113    HB2  HIS  14           HB2      HIS  14   3.446  -4.409  -1.670
  114    HB3  HIS  14           HB3      HIS  14   3.803  -5.494  -0.348
  115    HD2  HIS  14           HD2      HIS  14   1.714  -6.174   1.389
  116    HE1  HIS  14           HE1      HIS  14  -1.288  -5.376  -1.378
  117    HE2  HIS  14           HE2      HIS  14  -0.854  -6.574   0.853
  118    H    LEU  15           H        LEU  15   4.788  -1.976   1.992
  119    HA   LEU  15           HA       LEU  15   6.935  -1.180   2.406
  120    HB2  LEU  15           HB2      LEU  15   7.908  -3.959   1.487
  121    HB3  LEU  15           HB3      LEU  15   8.816  -2.781   2.392
  122    HG   LEU  15           HG       LEU  15   7.130  -3.048   4.372
  123   HD11  LEU  15          HD11      LEU  15   6.354  -5.603   2.669
  124   HD12  LEU  15          HD12      LEU  15   5.960  -5.407   4.381
  125   HD13  LEU  15          HD13      LEU  15   5.229  -4.343   3.185
  126   HD21  LEU  15          HD21      LEU  15   9.491  -4.088   4.286
  127   HD22  LEU  15          HD22      LEU  15   8.875  -5.492   3.405
  128   HD23  LEU  15          HD23      LEU  15   8.375  -5.212   5.080
  129    H    ASN  16           H        ASN  16   5.917  -0.299  -0.063
  130    HA   ASN  16           HA       ASN  16   6.495   0.619  -2.094
  131    HB2  ASN  16           HB2      ASN  16   7.654   1.978  -0.407
  132    HB3  ASN  16           HB3      ASN  16   9.105   1.039  -0.763
  133   HD21  ASN  16          HD21      ASN  16   8.481   3.040  -4.116
  134   HD22  ASN  16          HD22      ASN  16   7.525   1.666  -3.299
  135    H    GLU  17           H        GLU  17   6.214  -1.679  -2.984
  136    HA   GLU  17           HA       GLU  17   6.744  -3.604  -3.891
  137    HB2  GLU  17           HB2      GLU  17   8.404  -1.749  -5.511
  138    HB3  GLU  17           HB3      GLU  17   7.811  -3.348  -5.949
  139    HG2  GLU  17           HG2      GLU  17   5.439  -2.644  -5.608
  140    HG3  GLU  17           HG3      GLU  17   5.963  -1.057  -5.175
  141    HE2  GLU  17           HE2      GLU  17   6.891   0.210  -6.656
  142    H    HIS  18           H        HIS  18   7.694  -4.549  -1.943
  143    HA   HIS  18           HA       HIS  18   9.159  -5.756  -0.730
  144    HB2  HIS  18           HB2      HIS  18   9.053  -6.936  -2.881
  145    HB3  HIS  18           HB3      HIS  18  10.546  -6.182  -3.395
  146    HD2  HIS  18           HD2      HIS  18  10.934  -8.978  -3.567
  147    HE1  HIS  18           HE1      HIS  18  12.076  -9.412   0.417
  148    HE2  HIS  18           HE2      HIS  18  12.139 -10.642  -1.845
  149    H    ALA  19           H        ALA  19  10.024  -4.561   0.723
  150    HA   ALA  19           HA       ALA  19  11.716  -3.715   2.080
  151    HB1  ALA  19           HB1      ALA  19  13.773  -3.923  -0.191
  152    HB2  ALA  19           HB2      ALA  19  14.092  -3.609   1.529
  153    HB3  ALA  19           HB3      ALA  19  13.416  -5.172   1.029
  154    H    HIS  20           H        HIS  20  11.033  -1.759   2.574
  155    HA   HIS  20           HA       HIS  20  10.918   0.488   0.737
  156    HB2  HIS  20           HB2      HIS  20   9.308   0.010   2.647
  157    HB3  HIS  20           HB3      HIS  20  10.525   0.576   3.772
  158    HD2  HIS  20           HD2      HIS  20   8.216   2.159   4.158
  159    HE1  HIS  20           HE1      HIS  20   9.150   4.872   1.139
  160    HE2  HIS  20           HE2      HIS  20   7.640   4.589   3.204
  161    HXT  HIS  20           HXT      HIS  20  14.136   1.442   3.121
  Start of MODEL    4
    1    H1   SER   1           H1       SER   1 -10.370  -1.933  11.002
    2    H2   SER   1           H2       SER   1 -10.643  -0.535  11.106
    3    H3   SER   1           H3       SER   1  -9.696  -1.361   9.880
    4    HA   SER   1           HA       SER   1  -9.200  -1.199  12.825
    5    HB2  SER   1           HB2      SER   1  -9.937  -3.429  11.843
    6    HB3  SER   1           HB3      SER   1  -8.362  -3.439  11.033
    7    HG   SER   1           HG       SER   1  -8.808  -3.194  13.821
    8    H    ASP   2           H        ASP   2  -8.209   0.797  11.076
    9    HA   ASP   2           HA       ASP   2  -5.452   0.917  11.937
   10    HB2  ASP   2           HB2      ASP   2  -5.277  -0.610   9.716
   11    HB3  ASP   2           HB3      ASP   2  -5.727   0.826   8.855
   12    HD2  ASP   2           HD2      ASP   2  -3.451  -0.673  10.814
   13    H    THR   3           H        THR   3  -6.926   2.657  12.829
   14    HA   THR   3           HA       THR   3  -7.667   4.828  11.404
   15    HB   THR   3           HB       THR   3  -6.862   5.183  14.233
   16    HG1  THR   3           HG1      THR   3  -8.847   3.323  13.501
   17   HG21  THR   3          HG21      THR   3  -9.544   5.375  12.744
   18   HG22  THR   3          HG22      THR   3  -9.247   5.949  14.412
   19   HG23  THR   3          HG23      THR   3  -8.446   6.759  13.020
   20    H    ARG   4           H        ARG   4  -4.558   4.303  11.038
   21    HA   ARG   4           HA       ARG   4  -3.261   6.791  11.655
   22    HB2  ARG   4           HB2      ARG   4  -2.683   4.606   9.553
   23    HB3  ARG   4           HB3      ARG   4  -1.723   6.057   9.641
   24    HG2  ARG   4           HG2      ARG   4  -0.512   4.452  10.819
   25    HG3  ARG   4           HG3      ARG   4  -1.075   5.595  12.004
   26    HD2  ARG   4           HD2      ARG   4  -2.879   3.936  12.795
   27    HD3  ARG   4           HD3      ARG   4  -2.487   2.824  11.526
   28    HE   ARG   4           HE       ARG   4  -0.971   3.350  14.020
   29   HH11  ARG   4          HH11      ARG   4   1.310   0.816  13.380
   30   HH12  ARG   4          HH12      ARG   4   0.607   2.009  14.585
   31   HH21  ARG   4          HH21      ARG   4   0.588   0.712  11.396
   32   HH22  ARG   4          HH22      ARG   4  -0.764   1.813  10.826
   33    H    TYR   5           H        TYR   5  -4.446   5.625   8.554
   34    HA   TYR   5           HA       TYR   5  -5.819   8.061   7.845
   35    HB2  TYR   5           HB2      TYR   5  -3.363   8.740   7.375
   36    HB3  TYR   5           HB3      TYR   5  -3.420   7.551   6.105
   37    HD1  TYR   5           HD1      TYR   5  -5.219  10.634   7.362
   38    HD2  TYR   5           HD2      TYR   5  -4.164   8.299   3.903
   39    HE1  TYR   5           HE1      TYR   5  -6.128  12.383   5.892
   40    HE2  TYR   5           HE2      TYR   5  -5.076  10.054   2.449
   41    HH   TYR   5           HH       TYR   5  -6.507  13.027   3.802
   42    H    ASN   6           H        ASN   6  -6.536   5.273   8.186
   43    HA   ASN   6           HA       ASN   6  -8.198   3.943   7.235
   44    HB2  ASN   6           HB2      ASN   6  -8.046   5.529   4.620
   45    HB3  ASN   6           HB3      ASN   6  -9.040   4.128   4.893
   46   HD21  ASN   6          HD21      ASN   6 -11.510   5.959   6.807
   47   HD22  ASN   6          HD22      ASN   6 -10.840   4.305   6.375
   48    H    LYS   7           H        LYS   7  -6.059   2.521   7.654
   49    HA   LYS   7           HA       LYS   7  -4.594   0.832   6.916
   50    HB2  LYS   7           HB2      LYS   7  -5.432   1.267   4.081
   51    HB3  LYS   7           HB3      LYS   7  -4.564  -0.075   4.805
   52    HG2  LYS   7           HG2      LYS   7  -7.465   0.662   5.475
   53    HG3  LYS   7           HG3      LYS   7  -6.998  -0.539   4.292
   54    HD2  LYS   7           HD2      LYS   7  -6.400  -0.693   7.313
   55    HD3  LYS   7           HD3      LYS   7  -7.737  -1.478   6.498
   56    HE2  LYS   7           HE2      LYS   7  -6.106  -2.862   5.116
   57    HE3  LYS   7           HE3      LYS   7  -4.751  -2.095   5.956
   58    HZ1  LYS   7           HZ1      LYS   7  -5.614  -2.977   8.030
   59    HZ2  LYS   7           HZ2      LYS   7  -6.879  -3.719   7.230
   60    HZ3  LYS   7           HZ3      LYS   7  -5.349  -4.207   6.930
   61    H    ASP   8           H        ASP   8  -3.758   3.961   6.778
   62    HA   ASP   8           HA       ASP   8  -1.691   5.186   5.836
   63    HB2  ASP   8           HB2      ASP   8  -1.234   4.398   7.939
   64    HB3  ASP   8           HB3      ASP   8  -1.099   2.741   7.404
   65    HD2  ASP   8           HD2      ASP   8   2.290   2.972   6.837
   66    H    PHE   9           H        PHE   9  -3.112   4.081   3.815
   67    HA   PHE   9           HA       PHE   9  -3.027   3.517   1.520
   68    HB2  PHE   9           HB2      PHE   9  -1.533   5.383   1.717
   69    HB3  PHE   9           HB3      PHE   9  -0.179   4.288   1.816
   70    HD1  PHE   9           HD1      PHE   9   1.060   4.354  -0.167
   71    HD2  PHE   9           HD2      PHE   9  -3.197   4.651  -0.448
   72    HE1  PHE   9           HE1      PHE   9   1.227   4.678  -2.692
   73    HE2  PHE   9           HE2      PHE   9  -2.995   4.926  -2.974
   74    HZ   PHE   9           HZ       PHE   9  -0.796   4.935  -4.006
   75    H    ILE  10           H        ILE  10  -2.991   0.862   3.362
   76    HA   ILE  10           HA       ILE  10  -2.081  -1.124   3.643
   77    HB   ILE  10           HB       ILE  10  -2.479  -0.622   0.781
   78   HG12  ILE  10          HG12      ILE  10  -4.310  -2.327   2.369
   79   HG13  ILE  10          HG13      ILE  10  -4.288  -0.642   2.805
   80   HG21  ILE  10          HG21      ILE  10  -2.761  -3.130   0.379
   81   HG22  ILE  10          HG22      ILE  10  -1.083  -2.682   0.693
   82   HG23  ILE  10          HG23      ILE  10  -2.053  -3.428   1.986
   83   HD11  ILE  10          HD11      ILE  10  -4.897  -1.562  -0.033
   84   HD12  ILE  10          HD12      ILE  10  -4.791   0.129   0.548
   85   HD13  ILE  10          HD13      ILE  10  -6.056  -0.944   1.193
   86    H    ASN  11           H        ASN  11  -0.262  -0.332   4.766
   87    HA   ASN  11           HA       ASN  11   2.040  -0.124   5.318
   88    HB2  ASN  11           HB2      ASN  11   1.460  -2.553   4.992
   89    HB3  ASN  11           HB3      ASN  11   2.303  -2.434   3.474
   90   HD21  ASN  11          HD21      ASN  11   4.455  -2.583   6.994
   91   HD22  ASN  11          HD22      ASN  11   2.639  -2.313   6.965
   92    H    ASN  12           H        ASN  12   1.281   1.686   2.705
   93    HA   ASN  12           HA       ASN  12   2.354   2.952   1.192
   94    HB2  ASN  12           HB2      ASN  12   3.596   3.637   3.137
   95    HB3  ASN  12           HB3      ASN  12   4.790   2.474   2.807
   96   HD21  ASN  12          HD21      ASN  12   4.938   6.060   1.077
   97   HD22  ASN  12          HD22      ASN  12   3.690   5.269   2.211
   98    H    LYS  13           H        LYS  13   1.542   0.946   0.002
   99    HA   LYS  13           HA       LYS  13   1.712  -0.487  -1.803
  100    HB2  LYS  13           HB2      LYS  13   4.241   1.073  -2.520
  101    HB3  LYS  13           HB3      LYS  13   3.440  -0.059  -3.588
  102    HG2  LYS  13           HG2      LYS  13   2.257   2.565  -2.547
  103    HG3  LYS  13           HG3      LYS  13   2.921   2.303  -4.141
  104    HD2  LYS  13           HD2      LYS  13   0.372   0.969  -3.021
  105    HD3  LYS  13           HD3      LYS  13   0.432   2.344  -4.110
  106    HE2  LYS  13           HE2      LYS  13   1.545   0.910  -5.896
  107    HE3  LYS  13           HE3      LYS  13   1.443  -0.492  -4.822
  108    HZ1  LYS  13           HZ1      LYS  13  -0.957  -0.230  -4.810
  109    HZ2  LYS  13           HZ2      LYS  13  -0.389  -0.394  -6.373
  110    HZ3  LYS  13           HZ3      LYS  13  -0.857   1.080  -5.840
  111    H    HIS  14           H        HIS  14   2.334  -1.721   0.412
  112    HA   HIS  14           HA       HIS  14   3.361  -3.625   1.347
  113    HB2  HIS  14           HB2      HIS  14   3.678  -4.505  -1.580
  114    HB3  HIS  14           HB3      HIS  14   3.927  -5.541  -0.194
  115    HD2  HIS  14           HD2      HIS  14   1.706  -6.110   1.423
  116    HE1  HIS  14           HE1      HIS  14  -1.109  -5.224  -1.511
  117    HE2  HIS  14           HE2      HIS  14  -0.851  -6.388   0.768
  118    H    LEU  15           H        LEU  15   4.909  -1.924   2.011
  119    HA   LEU  15           HA       LEU  15   7.041  -1.132   2.459
  120    HB2  LEU  15           HB2      LEU  15   8.087  -3.887   1.560
  121    HB3  LEU  15           HB3      LEU  15   8.933  -2.691   2.503
  122    HG   LEU  15           HG       LEU  15   7.137  -3.029   4.406
  123   HD11  LEU  15          HD11      LEU  15   6.128  -5.459   4.362
  124   HD12  LEU  15          HD12      LEU  15   6.649  -5.642   2.683
  125   HD13  LEU  15          HD13      LEU  15   5.407  -4.461   3.104
  126   HD21  LEU  15          HD21      LEU  15   8.479  -5.100   5.199
  127   HD22  LEU  15          HD22      LEU  15   9.100  -5.345   3.558
  128   HD23  LEU  15          HD23      LEU  15   9.561  -3.901   4.468
  129    H    ASN  16           H        ASN  16   6.029  -0.290  -0.028
  130    HA   ASN  16           HA       ASN  16   6.609   0.656  -2.049
  131    HB2  ASN  16           HB2      ASN  16   7.733   1.991  -0.358
  132    HB3  ASN  16           HB3      ASN  16   9.197   1.176  -0.689
  133   HD21  ASN  16          HD21      ASN  16   8.106   4.272  -2.930
  134   HD22  ASN  16          HD22      ASN  16   7.268   3.401  -1.511
  135    H    GLU  17           H        GLU  17   6.292  -1.617  -2.970
  136    HA   GLU  17           HA       GLU  17   6.777  -3.530  -3.911
  137    HB2  GLU  17           HB2      GLU  17   8.523  -1.713  -5.483
  138    HB3  GLU  17           HB3      GLU  17   7.878  -3.287  -5.947
  139    HG2  GLU  17           HG2      GLU  17   5.529  -2.507  -5.626
  140    HG3  GLU  17           HG3      GLU  17   6.098  -0.941  -5.173
  141    HE2  GLU  17           HE2      GLU  17   6.840   0.163  -8.387
  142    H    HIS  18           H        HIS  18   7.665  -4.469  -1.937
  143    HA   HIS  18           HA       HIS  18   9.099  -5.705  -0.667
  144    HB2  HIS  18           HB2      HIS  18   8.799  -6.983  -2.766
  145    HB3  HIS  18           HB3      HIS  18  10.330  -6.384  -3.363
  146    HD2  HIS  18           HD2      HIS  18  10.481  -9.206  -3.400
  147    HE1  HIS  18           HE1      HIS  18  11.715  -9.540   0.567
  148    HE2  HIS  18           HE2      HIS  18  11.600 -10.879  -1.631
  149    H    ALA  19           H        ALA  19  10.053  -4.287   0.634
  150    HA   ALA  19           HA       ALA  19  11.801  -3.403   1.846
  151    HB1  ALA  19           HB1      ALA  19  13.821  -4.488  -0.196
  152    HB2  ALA  19           HB2      ALA  19  13.212  -5.338   1.245
  153    HB3  ALA  19           HB3      ALA  19  14.171  -3.857   1.427
  154    H    HIS  20           H        HIS  20  11.470  -1.303   1.859
  155    HA   HIS  20           HA       HIS  20  11.867   0.500  -0.365
  156    HB2  HIS  20           HB2      HIS  20  10.221   0.797   1.540
  157    HB3  HIS  20           HB3      HIS  20  11.542   1.299   2.575
  158    HD2  HIS  20           HD2      HIS  20   9.639   3.396   2.529
  159    HE1  HIS  20           HE1      HIS  20  11.192   5.170  -0.904
  160    HE2  HIS  20           HE2      HIS  20   9.631   5.649   1.086
  161    HXT  HIS  20           HXT      HIS  20  15.248   1.217   1.878
  Start of MODEL    5
    1    H1   SER   1           H1       SER   1 -13.033  12.216   2.610
    2    H2   SER   1           H2       SER   1 -12.912  10.956   3.270
    3    H3   SER   1           H3       SER   1 -12.604  11.334   1.574
    4    HA   SER   1           HA       SER   1 -10.633  12.390   1.983
    5    HB2  SER   1           HB2      SER   1 -12.099  14.105   1.917
    6    HB3  SER   1           HB3      SER   1 -12.786  13.711   3.483
    7    HG   SER   1           HG       SER   1 -10.167  14.726   2.982
    8    H    ASP   2           H        ASP   2 -10.078  10.278   2.828
    9    HA   ASP   2           HA       ASP   2  -8.048  10.643   4.868
   10    HB2  ASP   2           HB2      ASP   2 -10.263  10.146   6.345
   11    HB3  ASP   2           HB3      ASP   2 -10.172   8.526   5.723
   12    HD2  ASP   2           HD2      ASP   2  -8.696   7.241   6.423
   13    H    THR   3           H        THR   3  -7.200  10.182   2.764
   14    HA   THR   3           HA       THR   3  -6.285   8.822   1.021
   15    HB   THR   3           HB       THR   3  -4.636   8.958   2.553
   16    HG1  THR   3           HG1      THR   3  -4.866   6.242   1.811
   17   HG21  THR   3          HG21      THR   3  -5.683   6.567   4.160
   18   HG22  THR   3          HG22      THR   3  -5.536   8.265   4.703
   19   HG23  THR   3          HG23      THR   3  -4.072   7.343   4.345
   20    H    ARG   4           H        ARG   4  -8.940   8.281   0.857
   21    HA   ARG   4           HA       ARG   4 -10.444   6.856  -0.092
   22    HB2  ARG   4           HB2      ARG   4  -8.011   5.236  -1.126
   23    HB3  ARG   4           HB3      ARG   4  -9.622   5.141  -1.769
   24    HG2  ARG   4           HG2      ARG   4  -7.728   7.562  -1.940
   25    HG3  ARG   4           HG3      ARG   4  -8.040   6.402  -3.192
   26    HD2  ARG   4           HD2      ARG   4 -10.539   7.167  -3.294
   27    HD3  ARG   4           HD3      ARG   4 -10.204   8.369  -2.056
   28    HE   ARG   4           HE       ARG   4  -8.265   8.712  -4.156
   29   HH11  ARG   4          HH11      ARG   4 -11.751   9.144  -3.641
   30   HH12  ARG   4          HH12      ARG   4 -11.820  10.471  -4.906
   31   HH21  ARG   4          HH21      ARG   4  -8.455  10.277  -5.618
   32   HH22  ARG   4          HH22      ARG   4 -10.078  11.067  -5.949
   33    H    TYR   5           H        TYR   5 -10.204   6.406   2.579
   34    HA   TYR   5           HA       TYR   5 -10.745   4.921   4.288
   35    HB2  TYR   5           HB2      TYR   5 -12.653   4.493   2.841
   36    HB3  TYR   5           HB3      TYR   5 -11.761   3.217   2.077
   37    HD1  TYR   5           HD1      TYR   5 -12.983   4.316   5.496
   38    HD2  TYR   5           HD2      TYR   5 -12.096   0.965   2.944
   39    HE1  TYR   5           HE1      TYR   5 -13.911   2.781   7.176
   40    HE2  TYR   5           HE2      TYR   5 -13.027  -0.557   4.633
   41    HH   TYR   5           HH       TYR   5 -14.353   0.671   7.706
   42    H    ASN   6           H        ASN   6  -8.075   5.069   3.724
   43    HA   ASN   6           HA       ASN   6  -6.054   4.116   4.247
   44    HB2  ASN   6           HB2      ASN   6  -7.515   1.718   5.451
   45    HB3  ASN   6           HB3      ASN   6  -5.811   2.052   5.612
   46   HD21  ASN   6          HD21      ASN   6  -6.230   4.608   8.126
   47   HD22  ASN   6          HD22      ASN   6  -5.125   3.956   6.815
   48    H    LYS   7           H        LYS   7  -7.440   3.346   1.575
   49    HA   LYS   7           HA       LYS   7  -5.781   0.977   0.956
   50    HB2  LYS   7           HB2      LYS   7  -7.394   2.422  -1.185
   51    HB3  LYS   7           HB3      LYS   7  -6.720   0.800  -1.256
   52    HG2  LYS   7           HG2      LYS   7  -9.042   1.700   0.549
   53    HG3  LYS   7           HG3      LYS   7  -9.227   0.820  -0.944
   54    HD2  LYS   7           HD2      LYS   7  -7.645  -0.301   1.456
   55    HD3  LYS   7           HD3      LYS   7  -9.381  -0.405   1.392
   56    HE2  LYS   7           HE2      LYS   7  -7.572  -1.601  -0.819
   57    HE3  LYS   7           HE3      LYS   7  -8.093  -2.495   0.607
   58    HZ1  LYS   7           HZ1      LYS   7  -9.907  -1.313  -1.401
   59    HZ2  LYS   7           HZ2      LYS   7  -9.527  -2.932  -1.232
   60    HZ3  LYS   7           HZ3      LYS   7 -10.379  -2.184  -0.056
   61    H    ASP   8           H        ASP   8  -5.488   4.430  -0.016
   62    HA   ASP   8           HA       ASP   8  -2.954   3.746  -1.534
   63    HB2  ASP   8           HB2      ASP   8  -4.307   5.848  -2.026
   64    HB3  ASP   8           HB3      ASP   8  -3.705   6.457  -0.486
   65    HD2  ASP   8           HD2      ASP   8  -0.624   7.380  -1.681
   66    H    PHE   9           H        PHE   9  -3.791   3.771   1.638
   67    HA   PHE   9           HA       PHE   9  -1.059   3.874   2.778
   68    HB2  PHE   9           HB2      PHE   9  -3.037   5.238   3.761
   69    HB3  PHE   9           HB3      PHE   9  -3.604   3.697   4.350
   70    HD1  PHE   9           HD1      PHE   9  -0.605   5.930   4.395
   71    HD2  PHE   9           HD2      PHE   9  -2.846   2.936   6.460
   72    HE1  PHE   9           HE1      PHE   9   0.859   6.241   6.466
   73    HE2  PHE   9           HE2      PHE   9  -1.369   3.266   8.513
   74    HZ   PHE   9           HZ       PHE   9   0.429   4.901   8.447
   75    H    ILE  10           H        ILE  10  -2.606   1.269   1.106
   76    HA   ILE  10           HA       ILE  10  -2.439  -0.807   2.918
   77    HB   ILE  10           HB       ILE  10  -1.944  -1.019  -0.002
   78   HG12  ILE  10          HG12      ILE  10  -4.482  -1.833   1.337
   79   HG13  ILE  10          HG13      ILE  10  -4.208  -0.155   1.037
   80   HG21  ILE  10          HG21      ILE  10  -2.604  -3.303   1.971
   81   HG22  ILE  10          HG22      ILE  10  -1.081  -3.128   1.074
   82   HG23  ILE  10          HG23      ILE  10  -2.574  -3.473   0.199
   83   HD11  ILE  10          HD11      ILE  10  -5.445  -1.039  -0.879
   84   HD12  ILE  10          HD12      ILE  10  -4.239  -2.330  -1.146
   85   HD13  ILE  10          HD13      ILE  10  -3.813  -0.621  -1.436
   86    H    ASN  11           H        ASN  11  -0.764  -0.013   3.911
   87    HA   ASN  11           HA       ASN  11   1.530   0.131   4.887
   88    HB2  ASN  11           HB2      ASN  11   0.946  -2.249   4.742
   89    HB3  ASN  11           HB3      ASN  11   1.881  -2.335   3.269
   90   HD21  ASN  11          HD21      ASN  11   3.852  -2.240   6.894
   91   HD22  ASN  11          HD22      ASN  11   2.055  -1.900   6.746
   92    H    ASN  12           H        ASN  12   1.027   1.658   1.976
   93    HA   ASN  12           HA       ASN  12   2.263   3.029   0.731
   94    HB2  ASN  12           HB2      ASN  12   3.351   3.744   2.716
   95    HB3  ASN  12           HB3      ASN  12   4.517   2.521   2.573
   96   HD21  ASN  12          HD21      ASN  12   5.023   6.024   0.737
   97   HD22  ASN  12          HD22      ASN  12   3.625   5.332   1.755
   98    H    LYS  13           H        LYS  13   1.475   1.062  -0.539
   99    HA   LYS  13           HA       LYS  13   1.729  -0.427  -2.232
  100    HB2  LYS  13           HB2      LYS  13   4.375   0.925  -2.927
  101    HB3  LYS  13           HB3      LYS  13   3.348  -0.004  -4.001
  102    HG2  LYS  13           HG2      LYS  13   2.811   2.782  -2.850
  103    HG3  LYS  13           HG3      LYS  13   3.117   2.351  -4.508
  104    HD2  LYS  13           HD2      LYS  13   0.912   2.146  -4.930
  105    HD3  LYS  13           HD3      LYS  13   0.760   0.822  -3.790
  106    HE2  LYS  13           HE2      LYS  13   0.354   2.479  -1.907
  107    HE3  LYS  13           HE3      LYS  13   0.501   3.817  -3.057
  108    HZ1  LYS  13           HZ1      LYS  13  -1.374   2.891  -4.269
  109    HZ2  LYS  13           HZ2      LYS  13  -1.787   3.178  -2.674
  110    HZ3  LYS  13           HZ3      LYS  13  -1.517   1.643  -3.167
  111    H    HIS  14           H        HIS  14   2.190  -1.638   0.000
  112    HA   HIS  14           HA       HIS  14   3.081  -3.582   0.992
  113    HB2  HIS  14           HB2      HIS  14   2.144  -4.548  -1.178
  114    HB3  HIS  14           HB3      HIS  14   3.771  -4.525  -1.844
  115    HD2  HIS  14           HD2      HIS  14   4.839  -6.925  -1.615
  116    HE1  HIS  14           HE1      HIS  14   3.349  -8.060   2.101
  117    HE2  HIS  14           HE2      HIS  14   4.867  -8.872   0.189
  118    H    LEU  15           H        LEU  15   4.620  -1.884   1.787
  119    HA   LEU  15           HA       LEU  15   6.733  -1.111   2.376
  120    HB2  LEU  15           HB2      LEU  15   7.790  -3.904   1.617
  121    HB3  LEU  15           HB3      LEU  15   8.570  -2.710   2.615
  122    HG   LEU  15           HG       LEU  15   6.608  -2.983   4.353
  123   HD11  LEU  15          HD11      LEU  15   4.962  -4.393   2.937
  124   HD12  LEU  15          HD12      LEU  15   6.208  -5.605   2.618
  125   HD13  LEU  15          HD13      LEU  15   5.559  -5.402   4.250
  126   HD21  LEU  15          HD21      LEU  15   8.600  -5.345   3.724
  127   HD22  LEU  15          HD22      LEU  15   8.987  -3.898   4.661
  128   HD23  LEU  15          HD23      LEU  15   7.827  -5.077   5.294
  129    H    ASN  16           H        ASN  16   5.954  -0.287  -0.201
  130    HA   ASN  16           HA       ASN  16   6.727   0.625  -2.166
  131    HB2  ASN  16           HB2      ASN  16   7.805   1.908  -0.459
  132    HB3  ASN  16           HB3      ASN  16   9.242   1.001  -0.627
  133   HD21  ASN  16          HD21      ASN  16   8.561   4.085  -3.043
  134   HD22  ASN  16          HD22      ASN  16   7.563   3.330  -1.661
  135    H    GLU  17           H        GLU  17   6.285  -1.586  -3.103
  136    HA   GLU  17           HA       GLU  17   6.652  -3.589  -3.946
  137    HB2  GLU  17           HB2      GLU  17   8.484  -1.868  -5.533
  138    HB3  GLU  17           HB3      GLU  17   7.798  -3.419  -5.999
  139    HG2  GLU  17           HG2      GLU  17   5.464  -2.554  -5.708
  140    HG3  GLU  17           HG3      GLU  17   6.091  -1.009  -5.260
  141    HE2  GLU  17           HE2      GLU  17   6.008  -2.192  -9.132
  142    H    HIS  18           H        HIS  18   7.510  -4.518  -1.946
  143    HA   HIS  18           HA       HIS  18   8.937  -5.766  -0.635
  144    HB2  HIS  18           HB2      HIS  18   8.441  -7.135  -2.659
  145    HB3  HIS  18           HB3      HIS  18   9.981  -6.679  -3.348
  146    HD2  HIS  18           HD2      HIS  18   9.933  -9.503  -3.237
  147    HE1  HIS  18           HE1      HIS  18  11.281  -9.725   0.700
  148    HE2  HIS  18           HE2      HIS  18  10.987 -11.161  -1.417
  149    H    ALA  19           H        ALA  19   9.951  -4.061   0.401
  150    HA   ALA  19           HA       ALA  19  12.852  -4.020   0.238
  151    HB1  ALA  19           HB1      ALA  19  11.486  -1.353  -0.562
  152    HB2  ALA  19           HB2      ALA  19  12.519  -2.360  -1.605
  153    HB3  ALA  19           HB3      ALA  19  13.215  -1.554  -0.186
  154    H    HIS  20           H        HIS  20  12.646  -4.682   2.352
  155    HA   HIS  20           HA       HIS  20  11.189  -3.135   4.366
  156    HB2  HIS  20           HB2      HIS  20  11.473  -5.686   4.307
  157    HB3  HIS  20           HB3      HIS  20  13.112  -5.461   4.892
  158    HD2  HIS  20           HD2      HIS  20  11.757  -7.072   6.779
  159    HE1  HIS  20           HE1      HIS  20  10.091  -3.865   8.851
  160    HE2  HIS  20           HE2      HIS  20  10.562  -6.386   9.073
  161    HXT  HIS  20           HXT      HIS  20  13.822  -0.989   5.497
  Start of MODEL    6
    1    H1   SER   1           H1       SER   1  -4.326  14.374  -1.256
    2    H2   SER   1           H2       SER   1  -4.231  13.027  -0.789
    3    H3   SER   1           H3       SER   1  -2.987  14.273  -0.764
    4    HA   SER   1           HA       SER   1  -4.430  13.164  -3.127
    5    HB2  SER   1           HB2      SER   1  -4.725  15.598  -2.558
    6    HB3  SER   1           HB3      SER   1  -3.006  15.781  -2.957
    7    HG   SER   1           HG       SER   1  -3.481  14.928  -5.020
    8    H    ASP   2           H        ASP   2  -2.217  11.782  -1.997
    9    HA   ASP   2           HA       ASP   2  -0.713  11.112  -4.369
   10    HB2  ASP   2           HB2      ASP   2   0.627  13.278  -3.495
   11    HB3  ASP   2           HB3      ASP   2   1.049  12.343  -2.094
   12    HD2  ASP   2           HD2      ASP   2   3.500  10.476  -3.637
   13    H    THR   3           H        THR   3  -2.144   9.295  -3.426
   14    HA   THR   3           HA       THR   3  -1.659   7.990  -1.203
   15    HB   THR   3           HB       THR   3  -2.302   6.402  -3.625
   16    HG1  THR   3           HG1      THR   3  -4.368   7.305  -3.651
   17   HG21  THR   3          HG21      THR   3  -4.211   5.692  -2.118
   18   HG22  THR   3          HG22      THR   3  -3.670   6.891  -0.906
   19   HG23  THR   3          HG23      THR   3  -2.633   5.485  -1.274
   20    H    ARG   4           H        ARG   4   0.720   7.714  -3.758
   21    HA   ARG   4           HA       ARG   4   1.932   5.258  -2.963
   22    HB2  ARG   4           HB2      ARG   4   3.514   7.745  -3.963
   23    HB3  ARG   4           HB3      ARG   4   4.054   6.094  -4.075
   24    HG2  ARG   4           HG2      ARG   4   1.760   7.417  -5.634
   25    HG3  ARG   4           HG3      ARG   4   3.329   7.013  -6.252
   26    HD2  ARG   4           HD2      ARG   4   2.857   4.511  -6.046
   27    HD3  ARG   4           HD3      ARG   4   1.351   4.799  -5.226
   28    HE   ARG   4           HE       ARG   4   1.925   5.154  -8.123
   29   HH11  ARG   4          HH11      ARG   4   0.264   5.354  -9.472
   30   HH12  ARG   4          HH12      ARG   4  -1.428   5.682  -8.845
   31   HH21  ARG   4          HH21      ARG   4  -1.812   5.873  -6.774
   32   HH22  ARG   4          HH22      ARG   4  -0.457   5.712  -5.547
   33    H    TYR   5           H        TYR   5   2.679   8.521  -1.885
   34    HA   TYR   5           HA       TYR   5   4.524   7.652   0.249
   35    HB2  TYR   5           HB2      TYR   5   4.910   9.815  -0.959
   36    HB3  TYR   5           HB3      TYR   5   3.514  10.443  -0.115
   37    HD1  TYR   5           HD1      TYR   5   6.925   8.931   0.439
   38    HD2  TYR   5           HD2      TYR   5   3.812  11.385   2.114
   39    HE1  TYR   5           HE1      TYR   5   8.409   9.561   2.294
   40    HE2  TYR   5           HE2      TYR   5   5.306  12.006   3.962
   41    HH   TYR   5           HH       TYR   5   7.318  11.769   4.871
   42    H    ASN   6           H        ASN   6   1.057   8.194   0.134
   43    HA   ASN   6           HA       ASN   6   0.552   8.816   2.943
   44    HB2  ASN   6           HB2      ASN   6  -1.401   7.488   0.964
   45    HB3  ASN   6           HB3      ASN   6  -1.850   8.066   2.512
   46   HD21  ASN   6          HD21      ASN   6  -1.360  11.676   1.252
   47   HD22  ASN   6          HD22      ASN   6  -0.287  10.660   2.340
   48    H    LYS   7           H        LYS   7   1.505   5.751   1.621
   49    HA   LYS   7           HA       LYS   7   1.362   3.420   2.544
   50    HB2  LYS   7           HB2      LYS   7  -0.187   4.410   4.888
   51    HB3  LYS   7           HB3      LYS   7   0.843   3.013   4.693
   52    HG2  LYS   7           HG2      LYS   7   1.856   5.936   4.814
   53    HG3  LYS   7           HG3      LYS   7   1.666   4.931   6.222
   54    HD2  LYS   7           HD2      LYS   7   3.474   4.265   3.851
   55    HD3  LYS   7           HD3      LYS   7   4.036   5.201   5.214
   56    HE2  LYS   7           HE2      LYS   7   2.932   2.329   5.500
   57    HE3  LYS   7           HE3      LYS   7   4.639   2.694   5.252
   58    HZ1  LYS   7           HZ1      LYS   7   3.031   3.619   7.550
   59    HZ2  LYS   7           HZ2      LYS   7   4.653   3.940   7.307
   60    HZ3  LYS   7           HZ3      LYS   7   4.172   2.398   7.562
   61    H    ASP   8           H        ASP   8  -0.093   2.706   0.640
   62    HA   ASP   8           HA       ASP   8  -2.900   3.542   0.752
   63    HB2  ASP   8           HB2      ASP   8  -1.751   3.184  -1.382
   64    HB3  ASP   8           HB3      ASP   8  -1.592   1.476  -0.946
   65    HD2  ASP   8           HD2      ASP   8  -5.282   2.931  -1.883
   66    H    PHE   9           H        PHE   9  -1.941   2.478   2.981
   67    HA   PHE   9           HA       PHE   9  -2.211   1.636   4.711
   68    HB2  PHE   9           HB2      PHE   9  -4.543   1.961   4.300
   69    HB3  PHE   9           HB3      PHE   9  -4.713   0.345   3.660
   70    HD1  PHE   9           HD1      PHE   9  -3.822   2.219   6.782
   71    HD2  PHE   9           HD2      PHE   9  -5.388  -1.411   5.165
   72    HE1  PHE   9           HE1      PHE   9  -4.452   1.427   9.129
   73    HE2  PHE   9           HE2      PHE   9  -6.008  -2.178   7.519
   74    HZ   PHE   9           HZ       PHE   9  -5.519  -0.738   9.416
   75    H    ILE  10           H        ILE  10  -0.693  -0.040   2.351
   76    HA   ILE  10           HA       ILE  10  -0.403  -2.553   3.874
   77    HB   ILE  10           HB       ILE  10   0.170  -2.117   1.015
   78   HG12  ILE  10          HG12      ILE  10  -2.324  -3.434   1.867
   79   HG13  ILE  10          HG13      ILE  10  -2.386  -1.738   1.802
   80   HG21  ILE  10          HG21      ILE  10   0.021  -4.596   0.846
   81   HG22  ILE  10          HG22      ILE  10  -0.450  -4.719   2.557
   82   HG23  ILE  10          HG23      ILE  10   1.183  -4.194   2.128
   83   HD11  ILE  10          HD11      ILE  10  -1.636  -1.538  -0.499
   84   HD12  ILE  10          HD12      ILE  10  -1.609  -3.320  -0.674
   85   HD13  ILE  10          HD13      ILE  10  -3.156  -2.453  -0.356
   86    H    ASN  11           H        ASN  11   1.244  -0.788   5.111
   87    HA   ASN  11           HA       ASN  11   3.405   0.133   5.470
   88    HB2  ASN  11           HB2      ASN  11   3.567  -2.319   5.665
   89    HB3  ASN  11           HB3      ASN  11   4.236  -2.341   4.056
   90   HD21  ASN  11          HD21      ASN  11   6.595  -1.032   7.189
   91   HD22  ASN  11          HD22      ASN  11   4.765  -1.132   7.325
   92    H    ASN  12           H        ASN  12   2.151   1.436   2.717
   93    HA   ASN  12           HA       ASN  12   3.007   3.051   1.438
   94    HB2  ASN  12           HB2      ASN  12   5.063   3.196   2.924
   95    HB3  ASN  12           HB3      ASN  12   5.764   2.150   1.814
   96   HD21  ASN  12          HD21      ASN  12   5.368   6.089   1.008
   97   HD22  ASN  12          HD22      ASN  12   4.868   5.011   2.448
   98    H    LYS  13           H        LYS  13   1.599   1.185   0.368
   99    HA   LYS  13           HA       LYS  13   1.163   0.089  -1.638
  100    HB2  LYS  13           HB2      LYS  13   3.716   1.315  -2.773
  101    HB3  LYS  13           HB3      LYS  13   2.437   0.562  -3.704
  102    HG2  LYS  13           HG2      LYS  13   2.140   3.119  -2.025
  103    HG3  LYS  13           HG3      LYS  13   2.467   3.088  -3.745
  104    HD2  LYS  13           HD2      LYS  13  -0.050   1.931  -2.426
  105    HD3  LYS  13           HD3      LYS  13   0.065   3.553  -3.096
  106    HE2  LYS  13           HE2      LYS  13   0.586   2.487  -5.400
  107    HE3  LYS  13           HE3      LYS  13   0.298   0.899  -4.675
  108    HZ1  LYS  13           HZ1      LYS  13  -1.673   3.097  -4.799
  109    HZ2  LYS  13           HZ2      LYS  13  -1.943   1.588  -4.133
  110    HZ3  LYS  13           HZ3      LYS  13  -1.667   1.716  -5.739
  111    H    HIS  14           H        HIS  14   1.684  -1.638  -0.089
  112    HA   HIS  14           HA       HIS  14   2.373  -3.865   0.280
  113    HB2  HIS  14           HB2      HIS  14   1.453  -4.024  -2.166
  114    HB3  HIS  14           HB3      HIS  14   3.131  -4.177  -2.655
  115    HD2  HIS  14           HD2      HIS  14   2.235  -6.739  -3.444
  116    HE1  HIS  14           HE1      HIS  14   2.073  -8.352   0.389
  117    HE2  HIS  14           HE2      HIS  14   1.989  -9.013  -2.096
  118    H    LEU  15           H        LEU  15   4.037  -2.402   1.429
  119    HA   LEU  15           HA       LEU  15   6.222  -1.995   2.166
  120    HB2  LEU  15           HB2      LEU  15   6.821  -4.766   0.920
  121    HB3  LEU  15           HB3      LEU  15   7.853  -3.918   2.019
  122    HG   LEU  15           HG       LEU  15   5.949  -4.081   3.850
  123   HD11  LEU  15          HD11      LEU  15   3.976  -4.863   2.413
  124   HD12  LEU  15          HD12      LEU  15   4.912  -6.207   1.753
  125   HD13  LEU  15          HD13      LEU  15   4.430  -6.210   3.452
  126   HD21  LEU  15          HD21      LEU  15   6.744  -6.497   4.370
  127   HD22  LEU  15          HD22      LEU  15   8.100  -5.481   3.847
  128   HD23  LEU  15          HD23      LEU  15   7.390  -6.647   2.732
  129    H    ASN  16           H        ASN  16   5.583  -0.772  -0.332
  130    HA   ASN  16           HA       ASN  16   6.541   0.276  -2.202
  131    HB2  ASN  16           HB2      ASN  16   7.537   1.351  -0.311
  132    HB3  ASN  16           HB3      ASN  16   8.931   0.369  -0.428
  133   HD21  ASN  16          HD21      ASN  16   8.663   3.661  -2.640
  134   HD22  ASN  16          HD22      ASN  16   7.494   2.873  -1.421
  135    H    GLU  17           H        GLU  17   6.077  -1.864  -3.353
  136    HA   GLU  17           HA       GLU  17   6.412  -3.819  -4.286
  137    HB2  GLU  17           HB2      GLU  17   8.566  -2.176  -5.515
  138    HB3  GLU  17           HB3      GLU  17   7.814  -3.626  -6.169
  139    HG2  GLU  17           HG2      GLU  17   5.549  -2.573  -6.113
  140    HG3  GLU  17           HG3      GLU  17   6.236  -1.121  -5.476
  141    HE2  GLU  17           HE2      GLU  17   6.565  -2.045  -9.405
  142    H    HIS  18           H        HIS  18   7.494  -4.217  -1.744
  143    HA   HIS  18           HA       HIS  18   9.796  -6.045  -2.159
  144    HB2  HIS  18           HB2      HIS  18  10.118  -4.147  -0.630
  145    HB3  HIS  18           HB3      HIS  18   9.007  -4.921   0.470
  146    HD2  HIS  18           HD2      HIS  18  11.453  -4.613   1.845
  147    HE1  HIS  18           HE1      HIS  18  12.694  -8.451   0.803
  148    HE2  HIS  18           HE2      HIS  18  13.140  -6.579   2.512
  149    H    ALA  19           H        ALA  19   7.916  -6.395   0.339
  150    HA   ALA  19           HA       ALA  19   6.291  -8.037   1.200
  151    HB1  ALA  19           HB1      ALA  19   6.055  -9.267  -1.604
  152    HB2  ALA  19           HB2      ALA  19   5.030  -7.971  -0.946
  153    HB3  ALA  19           HB3      ALA  19   5.026  -9.579  -0.189
  154    H    HIS  20           H        HIS  20   8.243  -8.467   2.356
  155    HA   HIS  20           HA       HIS  20  10.052 -10.594   1.596
  156    HB2  HIS  20           HB2      HIS  20  10.453  -8.501   3.126
  157    HB3  HIS  20           HB3      HIS  20   9.841  -9.493   4.431
  158    HD2  HIS  20           HD2      HIS  20  12.502  -8.792   5.078
  159    HE1  HIS  20           HE1      HIS  20  14.285 -11.747   2.749
  160    HE2  HIS  20           HE2      HIS  20  14.810 -10.061   4.622
  161    HXT  HIS  20           HXT      HIS  20   7.602 -12.452   4.328
  Start of MODEL    7
    1    H1   SER   1           H1       SER   1 -12.356   4.038  -5.143
    2    H2   SER   1           H2       SER   1 -11.634   2.840  -5.433
    3    H3   SER   1           H3       SER   1 -12.449   3.278  -3.938
    4    HA   SER   1           HA       SER   1 -10.058   4.567  -5.184
    5    HB2  SER   1           HB2      SER   1 -12.337   5.724  -5.505
    6    HB3  SER   1           HB3      SER   1 -12.225   6.069  -3.774
    7    HG   SER   1           HG       SER   1 -10.285   6.731  -5.732
    8    H    ASP   2           H        ASP   2  -9.733   2.565  -3.221
    9    HA   ASP   2           HA       ASP   2  -8.854   1.974  -1.327
   10    HB2  ASP   2           HB2      ASP   2  -7.370   4.664  -1.942
   11    HB3  ASP   2           HB3      ASP   2  -6.816   3.521  -0.785
   12    HD2  ASP   2           HD2      ASP   2  -6.202   2.890  -4.681
   13    H    THR   3           H        THR   3 -11.114   2.847  -0.653
   14    HA   THR   3           HA       THR   3 -12.628   4.066   0.711
   15    HB   THR   3           HB       THR   3 -12.094   1.873   1.620
   16    HG1  THR   3           HG1      THR   3 -12.997   2.293   3.620
   17   HG21  THR   3          HG21      THR   3 -10.793   1.617   3.700
   18   HG22  THR   3          HG22      THR   3  -9.746   2.167   2.379
   19   HG23  THR   3          HG23      THR   3 -10.268   3.338   3.608
   20    H    ARG   4           H        ARG   4 -10.110   5.808   0.280
   21    HA   ARG   4           HA       ARG   4  -9.295   7.836   0.865
   22    HB2  ARG   4           HB2      ARG   4 -12.139   8.416   1.997
   23    HB3  ARG   4           HB3      ARG   4 -10.989   9.644   1.557
   24    HG2  ARG   4           HG2      ARG   4 -12.419   7.732  -0.387
   25    HG3  ARG   4           HG3      ARG   4 -12.843   9.381  -0.049
   26    HD2  ARG   4           HD2      ARG   4 -10.504  10.153  -0.980
   27    HD3  ARG   4           HD3      ARG   4 -10.175   8.490  -1.442
   28    HE   ARG   4           HE       ARG   4 -12.730   9.097  -2.538
   29   HH11  ARG   4          HH11      ARG   4  -9.404  10.266  -2.942
   30   HH12  ARG   4          HH12      ARG   4  -9.744  10.775  -4.672
   31   HH21  ARG   4          HH21      ARG   4 -13.028   9.740  -4.567
   32   HH22  ARG   4          HH22      ARG   4 -11.659  10.496  -5.528
   33    H    TYR   5           H        TYR   5  -8.928   5.820   2.864
   34    HA   TYR   5           HA       TYR   5  -7.725   7.445   4.900
   35    HB2  TYR   5           HB2      TYR   5 -10.244   7.436   5.656
   36    HB3  TYR   5           HB3      TYR   5  -9.953   5.769   6.029
   37    HD1  TYR   5           HD1      TYR   5  -8.573   9.230   6.729
   38    HD2  TYR   5           HD2      TYR   5  -9.211   5.271   8.291
   39    HE1  TYR   5           HE1      TYR   5  -7.768   9.960   8.934
   40    HE2  TYR   5           HE2      TYR   5  -8.396   6.011  10.485
   41    HH   TYR   5           HH       TYR   5  -7.606   7.702  11.688
   42    H    ASN   6           H        ASN   6  -7.977   4.207   3.535
   43    HA   ASN   6           HA       ASN   6  -5.689   3.535   5.201
   44    HB2  ASN   6           HB2      ASN   6  -7.805   1.381   5.513
   45    HB3  ASN   6           HB3      ASN   6  -6.212   1.463   6.231
   46   HD21  ASN   6          HD21      ASN   6  -7.258   3.499   9.023
   47   HD22  ASN   6          HD22      ASN   6  -5.840   3.015   7.960
   48    H    LYS   7           H        LYS   7  -7.575   2.454   2.401
   49    HA   LYS   7           HA       LYS   7  -5.580   0.296   2.025
   50    HB2  LYS   7           HB2      LYS   7  -7.161   1.175  -0.404
   51    HB3  LYS   7           HB3      LYS   7  -6.409  -0.345  -0.093
   52    HG2  LYS   7           HG2      LYS   7  -9.048   0.708   0.976
   53    HG3  LYS   7           HG3      LYS   7  -8.777  -0.680  -0.031
   54    HD2  LYS   7           HD2      LYS   7  -8.062  -0.477   2.965
   55    HD3  LYS   7           HD3      LYS   7  -9.483  -1.247   2.283
   56    HE2  LYS   7           HE2      LYS   7  -7.975  -2.922   1.060
   57    HE3  LYS   7           HE3      LYS   7  -6.574  -2.177   1.846
   58    HZ1  LYS   7           HZ1      LYS   7  -7.345  -4.082   3.053
   59    HZ2  LYS   7           HZ2      LYS   7  -7.559  -2.717   3.993
   60    HZ3  LYS   7           HZ3      LYS   7  -8.857  -3.407   3.277
   61    H    ASP   8           H        ASP   8  -5.530   3.689   0.981
   62    HA   ASP   8           HA       ASP   8  -3.043   3.267  -0.667
   63    HB2  ASP   8           HB2      ASP   8  -4.537   5.338  -0.836
   64    HB3  ASP   8           HB3      ASP   8  -3.905   5.783   0.752
   65    HD2  ASP   8           HD2      ASP   8  -1.977   6.530   0.919
   66    H    PHE   9           H        PHE   9  -3.746   3.458   2.754
   67    HA   PHE   9           HA       PHE   9  -1.002   3.410   3.685
   68    HB2  PHE   9           HB2      PHE   9  -3.580   3.249   5.161
   69    HB3  PHE   9           HB3      PHE   9  -2.032   3.300   5.900
   70    HD1  PHE   9           HD1      PHE   9  -4.515   5.305   4.072
   71    HD2  PHE   9           HD2      PHE   9  -0.684   5.352   5.959
   72    HE1  PHE   9           HE1      PHE   9  -4.554   7.855   4.109
   73    HE2  PHE   9           HE2      PHE   9  -0.742   7.906   5.977
   74    HZ   PHE   9           HZ       PHE   9  -2.669   9.066   5.054
   75    H    ILE  10           H        ILE  10  -2.433   0.710   2.027
   76    HA   ILE  10           HA       ILE  10  -1.986  -1.341   3.886
   77    HB   ILE  10           HB       ILE  10  -1.641  -1.608   0.946
   78   HG12  ILE  10          HG12      ILE  10  -4.100  -2.467   2.388
   79   HG13  ILE  10          HG13      ILE  10  -3.940  -0.794   1.954
   80   HG21  ILE  10          HG21      ILE  10  -2.130  -4.080   1.291
   81   HG22  ILE  10          HG22      ILE  10  -2.137  -3.817   3.050
   82   HG23  ILE  10          HG23      ILE  10  -0.644  -3.608   2.112
   83   HD11  ILE  10          HD11      ILE  10  -5.135  -2.052   0.135
   84   HD12  ILE  10          HD12      ILE  10  -3.622  -1.318  -0.449
   85   HD13  ILE  10          HD13      ILE  10  -3.694  -3.066  -0.115
   86    H    ASN  11           H        ASN  11  -0.310  -0.354   4.699
   87    HA   ASN  11           HA       ASN  11   2.040  -0.024   5.489
   88    HB2  ASN  11           HB2      ASN  11   1.624  -2.438   5.451
   89    HB3  ASN  11           HB3      ASN  11   2.446  -2.505   3.910
   90   HD21  ASN  11          HD21      ASN  11   4.678  -2.155   7.366
   91   HD22  ASN  11          HD22      ASN  11   2.852  -1.958   7.350
   92    H    ASN  12           H        ASN  12   1.206   1.400   2.615
   93    HA   ASN  12           HA       ASN  12   2.235   2.825   1.254
   94    HB2  ASN  12           HB2      ASN  12   3.458   3.630   3.121
   95    HB3  ASN  12           HB3      ASN  12   4.678   2.476   2.875
   96   HD21  ASN  12          HD21      ASN  12   4.794   5.978   0.975
   97   HD22  ASN  12          HD22      ASN  12   3.543   5.218   2.126
   98    H    LYS  13           H        LYS  13   1.464   0.807   0.104
   99    HA   LYS  13           HA       LYS  13   1.635  -0.618  -1.705
  100    HB2  LYS  13           HB2      LYS  13   4.117   0.993  -2.469
  101    HB3  LYS  13           HB3      LYS  13   3.298  -0.133  -3.527
  102    HG2  LYS  13           HG2      LYS  13   2.108   2.477  -2.430
  103    HG3  LYS  13           HG3      LYS  13   2.753   2.235  -4.036
  104    HD2  LYS  13           HD2      LYS  13   0.246   0.866  -2.884
  105    HD3  LYS  13           HD3      LYS  13   0.245   2.240  -3.960
  106    HE2  LYS  13           HE2      LYS  13   1.278  -0.580  -4.719
  107    HE3  LYS  13           HE3      LYS  13  -0.316   0.059  -5.092
  108    HZ1  LYS  13           HZ1      LYS  13   2.220   1.204  -6.078
  109    HZ2  LYS  13           HZ2      LYS  13   0.690   1.776  -6.433
  110    HZ3  LYS  13           HZ3      LYS  13   1.129   0.291  -6.958
  111    H    HIS  14           H        HIS  14   2.300  -1.851   0.476
  112    HA   HIS  14           HA       HIS  14   3.378  -3.732   1.396
  113    HB2  HIS  14           HB2      HIS  14   3.682  -4.571  -1.543
  114    HB3  HIS  14           HB3      HIS  14   4.008  -5.615  -0.178
  115    HD2  HIS  14           HD2      HIS  14   1.082  -4.177  -2.215
  116    HE1  HIS  14           HE1      HIS  14  -0.638  -6.648   0.657
  117    HE2  HIS  14           HE2      HIS  14  -1.194  -5.328  -1.480
  118    H    LEU  15           H        LEU  15   4.884  -1.995   2.067
  119    HA   LEU  15           HA       LEU  15   6.999  -1.140   2.505
  120    HB2  LEU  15           HB2      LEU  15   8.077  -3.896   1.639
  121    HB3  LEU  15           HB3      LEU  15   8.928  -2.677   2.546
  122    HG   LEU  15           HG       LEU  15   7.211  -2.974   4.497
  123   HD11  LEU  15          HD11      LEU  15   5.380  -4.353   3.300
  124   HD12  LEU  15          HD12      LEU  15   6.559  -5.577   2.817
  125   HD13  LEU  15          HD13      LEU  15   6.129  -5.376   4.519
  126   HD21  LEU  15          HD21      LEU  15   9.068  -5.362   3.608
  127   HD22  LEU  15          HD22      LEU  15   8.513  -5.083   5.266
  128   HD23  LEU  15          HD23      LEU  15   9.600  -3.924   4.487
  129    H    ASN  16           H        ASN  16   5.980  -0.328   0.014
  130    HA   ASN  16           HA       ASN  16   6.549   0.644  -1.991
  131    HB2  ASN  16           HB2      ASN  16   7.662   1.977  -0.331
  132    HB3  ASN  16           HB3      ASN  16   9.137   1.172  -0.629
  133   HD21  ASN  16          HD21      ASN  16   8.056   4.242  -2.918
  134   HD22  ASN  16          HD22      ASN  16   7.223   3.392  -1.482
  135    H    GLU  17           H        GLU  17   6.201  -1.602  -2.925
  136    HA   GLU  17           HA       GLU  17   6.674  -3.537  -3.869
  137    HB2  GLU  17           HB2      GLU  17   8.280  -1.655  -5.511
  138    HB3  GLU  17           HB3      GLU  17   7.672  -3.242  -5.967
  139    HG2  GLU  17           HG2      GLU  17   5.307  -2.546  -5.518
  140    HG3  GLU  17           HG3      GLU  17   5.857  -0.970  -5.077
  141    HE2  GLU  17           HE2      GLU  17   5.613  -2.088  -8.961
  142    H    HIS  18           H        HIS  18   7.713  -4.424  -1.922
  143    HA   HIS  18           HA       HIS  18   9.304  -5.586  -0.724
  144    HB2  HIS  18           HB2      HIS  18   8.774  -6.960  -2.736
  145    HB3  HIS  18           HB3      HIS  18  10.235  -6.389  -3.511
  146    HD2  HIS  18           HD2      HIS  18  10.388  -9.210  -3.443
  147    HE1  HIS  18           HE1      HIS  18  11.997  -9.384   0.397
  148    HE2  HIS  18           HE2      HIS  18  11.670 -10.813  -1.721
  149    H    ALA  19           H        ALA  19  10.260  -3.826   0.273
  150    HA   ALA  19           HA       ALA  19  13.135  -3.579  -0.063
  151    HB1  ALA  19           HB1      ALA  19  13.301  -1.090  -0.480
  152    HB2  ALA  19           HB2      ALA  19  12.580  -1.932  -1.864
  153    HB3  ALA  19           HB3      ALA  19  11.542  -1.008  -0.752
  154    H    HIS  20           H        HIS  20  13.113  -4.260   2.051
  155    HA   HIS  20           HA       HIS  20  11.652  -2.860   4.159
  156    HB2  HIS  20           HB2      HIS  20  12.145  -5.366   4.075
  157    HB3  HIS  20           HB3      HIS  20  13.785  -5.010   4.574
  158    HD2  HIS  20           HD2      HIS  20  12.664  -6.725   6.522
  159    HE1  HIS  20           HE1      HIS  20  10.858  -3.661   8.690
  160    HE2  HIS  20           HE2      HIS  20  11.539  -6.137   8.878
  161    HXT  HIS  20           HXT      HIS  20  15.559  -1.704   4.722
  Start of MODEL    8
    1    H1   SER   1           H1       SER   1 -12.809  -2.741   1.317
    2    H2   SER   1           H2       SER   1 -14.206  -2.955   1.105
    3    H3   SER   1           H3       SER   1 -13.207  -3.560   2.417
    4    HA   SER   1           HA       SER   1 -13.912  -0.724   1.771
    5    HB2  SER   1           HB2      SER   1 -14.985  -1.784   3.816
    6    HB3  SER   1           HB3      SER   1 -13.352  -1.811   4.499
    7    HG   SER   1           HG       SER   1 -14.712   0.473   3.514
    8    H    ASP   2           H        ASP   2 -11.670  -1.952   0.574
    9    HA   ASP   2           HA       ASP   2  -9.556  -0.128   1.525
   10    HB2  ASP   2           HB2      ASP   2  -9.342  -3.202   1.077
   11    HB3  ASP   2           HB3      ASP   2  -7.969  -2.248   0.797
   12    HD2  ASP   2           HD2      ASP   2  -7.540  -0.666   2.549
   13    H    THR   3           H        THR   3 -11.132  -0.571  -1.033
   14    HA   THR   3           HA       THR   3 -10.251  -1.393  -3.448
   15    HB   THR   3           HB       THR   3 -12.426  -0.552  -2.684
   16    HG1  THR   3           HG1      THR   3 -11.360   0.989  -4.775
   17   HG21  THR   3          HG21      THR   3 -11.273   2.326  -2.689
   18   HG22  THR   3          HG22      THR   3 -11.710   1.421  -1.240
   19   HG23  THR   3          HG23      THR   3 -12.965   1.846  -2.424
   20    H    ARG   4           H        ARG   4 -10.263   1.591  -4.056
   21    HA   ARG   4           HA       ARG   4  -7.423   1.862  -4.965
   22    HB2  ARG   4           HB2      ARG   4  -9.962   3.531  -5.678
   23    HB3  ARG   4           HB3      ARG   4  -8.363   3.899  -6.259
   24    HG2  ARG   4           HG2      ARG   4  -9.199   2.798  -8.043
   25    HG3  ARG   4           HG3      ARG   4  -8.244   1.538  -7.288
   26    HD2  ARG   4           HD2      ARG   4 -10.362   0.437  -6.366
   27    HD3  ARG   4           HD3      ARG   4 -11.355   1.777  -6.915
   28    HE   ARG   4           HE       ARG   4  -9.911   0.752  -9.189
   29   HH11  ARG   4          HH11      ARG   4 -10.842  -0.558 -10.620
   30   HH12  ARG   4          HH12      ARG   4 -12.343  -1.518 -10.184
   31   HH21  ARG   4          HH21      ARG   4 -13.215  -1.375  -8.261
   32   HH22  ARG   4          HH22      ARG   4 -12.489  -0.283  -6.978
   33    H    TYR   5           H        TYR   5  -9.816   3.537  -3.025
   34    HA   TYR   5           HA       TYR   5  -8.267   5.904  -2.375
   35    HB2  TYR   5           HB2      TYR   5 -10.731   5.942  -2.134
   36    HB3  TYR   5           HB3      TYR   5 -10.568   4.862  -0.767
   37    HD1  TYR   5           HD1      TYR   5  -9.727   8.311  -2.000
   38    HD2  TYR   5           HD2      TYR   5 -10.066   5.761   1.452
   39    HE1  TYR   5           HE1      TYR   5  -9.501  10.263  -0.525
   40    HE2  TYR   5           HE2      TYR   5  -9.839   7.721   2.913
   41    HH   TYR   5           HH       TYR   5  -9.427  10.999   1.569
   42    H    ASN   6           H        ASN   6  -8.526   2.772  -0.633
   43    HA   ASN   6           HA       ASN   6  -6.739   3.848   1.451
   44    HB2  ASN   6           HB2      ASN   6  -7.724   1.014   1.625
   45    HB3  ASN   6           HB3      ASN   6  -6.863   1.927   2.821
   46   HD21  ASN   6          HD21      ASN   6  -9.762   3.692   4.032
   47   HD22  ASN   6          HD22      ASN   6  -7.930   3.601   3.982
   48    H    LYS   7           H        LYS   7  -6.200   1.781  -1.379
   49    HA   LYS   7           HA       LYS   7  -3.729   0.569  -0.570
   50    HB2  LYS   7           HB2      LYS   7  -3.127   0.039  -2.742
   51    HB3  LYS   7           HB3      LYS   7  -4.748  -0.422  -2.299
   52    HG2  LYS   7           HG2      LYS   7  -4.645   0.426  -4.616
   53    HG3  LYS   7           HG3      LYS   7  -5.759   1.335  -3.593
   54    HD2  LYS   7           HD2      LYS   7  -4.520   2.876  -4.920
   55    HD3  LYS   7           HD3      LYS   7  -4.119   3.103  -3.222
   56    HE2  LYS   7           HE2      LYS   7  -1.936   2.129  -3.422
   57    HE3  LYS   7           HE3      LYS   7  -2.312   1.321  -4.920
   58    HZ1  LYS   7           HZ1      LYS   7  -2.389   3.526  -6.000
   59    HZ2  LYS   7           HZ2      LYS   7  -0.914   3.292  -5.248
   60    HZ3  LYS   7           HZ3      LYS   7  -2.021   4.270  -4.549
   61    H    ASP   8           H        ASP   8  -3.869   3.927  -1.236
   62    HA   ASP   8           HA       ASP   8  -0.955   4.283  -1.288
   63    HB2  ASP   8           HB2      ASP   8  -2.570   6.047  -2.001
   64    HB3  ASP   8           HB3      ASP   8  -2.988   6.257  -0.299
   65    HD2  ASP   8           HD2      ASP   8   0.485   7.671  -1.839
   66    H    PHE   9           H        PHE   9  -3.319   4.294   1.336
   67    HA   PHE   9           HA       PHE   9  -1.445   4.338   3.542
   68    HB2  PHE   9           HB2      PHE   9  -3.868   5.232   3.552
   69    HB3  PHE   9           HB3      PHE   9  -4.327   3.567   3.788
   70    HD1  PHE   9           HD1      PHE   9  -2.340   6.351   5.260
   71    HD2  PHE   9           HD2      PHE   9  -4.258   2.604   5.988
   72    HE1  PHE   9           HE1      PHE   9  -2.019   6.658   7.775
   73    HE2  PHE   9           HE2      PHE   9  -3.925   2.937   8.497
   74    HZ   PHE   9           HZ       PHE   9  -2.819   4.945   9.302
   75    H    ILE  10           H        ILE  10  -3.012   1.450   1.933
   76    HA   ILE  10           HA       ILE  10  -2.189  -0.468   3.737
   77    HB   ILE  10           HB       ILE  10  -2.678  -0.792   0.844
   78   HG12  ILE  10          HG12      ILE  10  -4.523  -1.499   3.107
   79   HG13  ILE  10          HG13      ILE  10  -4.538   0.122   2.447
   80   HG21  ILE  10          HG21      ILE  10  -2.515  -3.014   2.973
   81   HG22  ILE  10          HG22      ILE  10  -3.100  -3.242   1.306
   82   HG23  ILE  10          HG23      ILE  10  -1.410  -2.819   1.593
   83   HD11  ILE  10          HD11      ILE  10  -6.235  -0.824   1.221
   84   HD12  ILE  10          HD12      ILE  10  -5.434  -2.426   1.080
   85   HD13  ILE  10          HD13      ILE  10  -4.897  -1.051   0.090
   86    H    ASN  11           H        ASN  11  -0.581   0.112   4.316
   87    HA   ASN  11           HA       ASN  11   1.768   0.086   5.147
   88    HB2  ASN  11           HB2      ASN  11   1.053  -2.252   4.825
   89    HB3  ASN  11           HB3      ASN  11   1.935  -2.240   3.318
   90   HD21  ASN  11          HD21      ASN  11   3.994  -2.527   6.887
   91   HD22  ASN  11          HD22      ASN  11   2.203  -2.128   6.813
   92    H    ASN  12           H        ASN  12   1.214   1.912   2.509
   93    HA   ASN  12           HA       ASN  12   2.446   3.256   1.189
   94    HB2  ASN  12           HB2      ASN  12   3.678   3.787   3.156
   95    HB3  ASN  12           HB3      ASN  12   4.760   2.508   2.877
   96   HD21  ASN  12          HD21      ASN  12   5.393   6.079   1.227
   97   HD22  ASN  12          HD22      ASN  12   4.004   5.410   2.274
   98    H    LYS  13           H        LYS  13   1.486   1.317  -0.106
   99    HA   LYS  13           HA       LYS  13   1.662  -0.080  -1.957
  100    HB2  LYS  13           HB2      LYS  13   4.339   1.340  -2.424
  101    HB3  LYS  13           HB3      LYS  13   3.600   0.267  -3.584
  102    HG2  LYS  13           HG2      LYS  13   2.356   2.894  -2.581
  103    HG3  LYS  13           HG3      LYS  13   3.239   2.702  -4.079
  104    HD2  LYS  13           HD2      LYS  13   0.605   1.236  -3.402
  105    HD3  LYS  13           HD3      LYS  13   0.731   2.732  -4.306
  106    HE2  LYS  13           HE2      LYS  13   2.151   1.554  -6.085
  107    HE3  LYS  13           HE3      LYS  13   1.982   0.035  -5.197
  108    HZ1  LYS  13           HZ1      LYS  13  -0.399   0.175  -5.518
  109    HZ2  LYS  13           HZ2      LYS  13   0.403   0.222  -6.984
  110    HZ3  LYS  13           HZ3      LYS  13  -0.236   1.599  -6.378
  111    H    HIS  14           H        HIS  14   2.082  -1.406   0.318
  112    HA   HIS  14           HA       HIS  14   2.918  -3.417   1.222
  113    HB2  HIS  14           HB2      HIS  14   1.855  -4.244  -0.976
  114    HB3  HIS  14           HB3      HIS  14   3.474  -4.330  -1.653
  115    HD2  HIS  14           HD2      HIS  14   1.953  -5.379   1.857
  116    HE1  HIS  14           HE1      HIS  14   4.203  -8.605   0.502
  117    HE2  HIS  14           HE2      HIS  14   2.762  -7.827   2.486
  118    H    LEU  15           H        LEU  15   4.605  -1.819   1.983
  119    HA   LEU  15           HA       LEU  15   6.784  -1.213   2.502
  120    HB2  LEU  15           HB2      LEU  15   7.654  -4.006   1.541
  121    HB3  LEU  15           HB3      LEU  15   8.541  -2.903   2.556
  122    HG   LEU  15           HG       LEU  15   6.654  -3.191   4.378
  123   HD11  LEU  15          HD11      LEU  15   4.883  -4.460   2.974
  124   HD12  LEU  15          HD12      LEU  15   6.061  -5.697   2.530
  125   HD13  LEU  15          HD13      LEU  15   5.501  -5.558   4.201
  126   HD21  LEU  15          HD21      LEU  15   9.012  -4.221   4.498
  127   HD22  LEU  15          HD22      LEU  15   8.496  -5.599   3.516
  128   HD23  LEU  15          HD23      LEU  15   7.829  -5.373   5.141
  129    H    ASN  16           H        ASN  16   5.898  -0.216   0.025
  130    HA   ASN  16           HA       ASN  16   6.601   0.747  -1.951
  131    HB2  ASN  16           HB2      ASN  16   7.818   1.908  -0.201
  132    HB3  ASN  16           HB3      ASN  16   9.203   0.970  -0.537
  133   HD21  ASN  16          HD21      ASN  16   8.446   4.236  -2.673
  134   HD22  ASN  16          HD22      ASN  16   7.511   3.397  -1.296
  135    H    GLU  17           H        GLU  17   6.086  -1.478  -2.900
  136    HA   GLU  17           HA       GLU  17   6.407  -3.485  -3.767
  137    HB2  GLU  17           HB2      GLU  17   8.087  -1.710  -5.464
  138    HB3  GLU  17           HB3      GLU  17   7.398  -3.268  -5.904
  139    HG2  GLU  17           HG2      GLU  17   5.075  -2.452  -5.430
  140    HG3  GLU  17           HG3      GLU  17   5.706  -0.903  -4.995
  141    HE2  GLU  17           HE2      GLU  17   5.363  -2.008  -8.875
  142    H    HIS  18           H        HIS  18   7.397  -4.532  -1.915
  143    HA   HIS  18           HA       HIS  18   8.844  -5.835  -0.778
  144    HB2  HIS  18           HB2      HIS  18   8.583  -6.976  -2.938
  145    HB3  HIS  18           HB3      HIS  18  10.090  -6.300  -3.508
  146    HD2  HIS  18           HD2      HIS  18  10.316  -9.110  -3.724
  147    HE1  HIS  18           HE1      HIS  18  11.606  -9.655   0.201
  148    HE2  HIS  18           HE2      HIS  18  11.501 -10.858  -2.074
  149    H    ALA  19           H        ALA  19   9.825  -4.687   0.651
  150    HA   ALA  19           HA       ALA  19  11.609  -3.943   1.939
  151    HB1  ALA  19           HB1      ALA  19  13.963  -3.945   1.294
  152    HB2  ALA  19           HB2      ALA  19  13.561  -4.219  -0.415
  153    HB3  ALA  19           HB3      ALA  19  13.192  -5.467   0.802
  154    H    HIS  20           H        HIS  20  11.054  -1.962   2.485
  155    HA   HIS  20           HA       HIS  20  11.024   0.324   0.675
  156    HB2  HIS  20           HB2      HIS  20   9.413  -0.120   2.601
  157    HB3  HIS  20           HB3      HIS  20  10.674   0.357   3.723
  158    HD2  HIS  20           HD2      HIS  20   8.435   2.032   4.172
  159    HE1  HIS  20           HE1      HIS  20   9.476   4.786   1.228
  160    HE2  HIS  20           HE2      HIS  20   7.957   4.509   3.287
  161    HXT  HIS  20           HXT      HIS  20  14.308   1.653   1.227
  Start of MODEL    9
    1    H1   SER   1           H1       SER   1  -4.763  -4.235  -2.079
    2    H2   SER   1           H2       SER   1  -3.536  -3.850  -2.700
    3    H3   SER   1           H3       SER   1  -3.974  -5.427  -2.059
    4    HA   SER   1           HA       SER   1  -5.077  -4.043  -4.461
    5    HB2  SER   1           HB2      SER   1  -3.882  -6.239  -4.758
    6    HB3  SER   1           HB3      SER   1  -5.222  -6.961  -3.844
    7    HG   SER   1           HG       SER   1  -5.434  -5.433  -6.223
    8    H    ASP   2           H        ASP   2  -5.998  -3.392  -1.836
    9    HA   ASP   2           HA       ASP   2  -8.862  -3.314  -2.320
   10    HB2  ASP   2           HB2      ASP   2  -8.552  -5.737  -1.200
   11    HB3  ASP   2           HB3      ASP   2  -8.047  -4.898   0.238
   12    HD2  ASP   2           HD2      ASP   2  -9.788  -6.433   0.604
   13    H    THR   3           H        THR   3  -7.750  -1.236  -2.369
   14    HA   THR   3           HA       THR   3  -6.662   0.172  -0.223
   15    HB   THR   3           HB       THR   3  -6.820   0.998  -2.600
   16    HG1  THR   3           HG1      THR   3  -6.782   3.137  -1.922
   17   HG21  THR   3          HG21      THR   3  -9.375   0.964  -2.812
   18   HG22  THR   3          HG22      THR   3  -9.420   2.344  -1.682
   19   HG23  THR   3          HG23      THR   3  -8.598   2.528  -3.253
   20    H    ARG   4           H        ARG   4 -10.178  -0.041  -0.677
   21    HA   ARG   4           HA       ARG   4 -10.657   1.723   1.501
   22    HB2  ARG   4           HB2      ARG   4 -12.722  -0.435   0.561
   23    HB3  ARG   4           HB3      ARG   4 -13.135   1.033   1.406
   24    HG2  ARG   4           HG2      ARG   4 -12.152   0.762  -1.494
   25    HG3  ARG   4           HG3      ARG   4 -13.773   1.095  -0.968
   26    HD2  ARG   4           HD2      ARG   4 -13.011   3.384   0.010
   27    HD3  ARG   4           HD3      ARG   4 -11.363   3.048  -0.492
   28    HE   ARG   4           HE       ARG   4 -13.146   2.747  -2.769
   29   HH11  ARG   4          HH11      ARG   4 -11.760   6.482  -2.132
   30   HH12  ARG   4          HH12      ARG   4 -11.666   5.269  -0.759
   31   HH21  ARG   4          HH21      ARG   4 -13.208   4.243  -4.311
   32   HH22  ARG   4          HH22      ARG   4 -12.575   5.938  -4.006
   33    H    TYR   5           H        TYR   5 -10.544  -1.792   1.518
   34    HA   TYR   5           HA       TYR   5 -11.295  -2.021   4.356
   35    HB2  TYR   5           HB2      TYR   5 -11.547  -3.975   2.793
   36    HB3  TYR   5           HB3      TYR   5  -9.803  -4.117   2.840
   37    HD1  TYR   5           HD1      TYR   5  -9.023  -5.806   4.373
   38    HD2  TYR   5           HD2      TYR   5 -12.732  -3.818   5.262
   39    HE1  TYR   5           HE1      TYR   5  -9.311  -7.222   6.351
   40    HE2  TYR   5           HE2      TYR   5 -13.017  -5.251   7.234
   41    HH   TYR   5           HH       TYR   5 -12.167  -6.893   8.464
   42    H    ASN   6           H        ASN   6  -8.497  -1.038   2.783
   43    HA   ASN   6           HA       ASN   6  -6.911   0.385   3.567
   44    HB2  ASN   6           HB2      ASN   6  -6.832  -0.957   6.350
   45    HB3  ASN   6           HB3      ASN   6  -5.824   0.376   5.859
   46   HD21  ASN   6          HD21      ASN   6  -8.434   2.867   6.175
   47   HD22  ASN   6          HD22      ASN   6  -6.873   2.447   5.308
   48    H    LYS   7           H        LYS   7  -6.692  -2.277   2.277
   49    HA   LYS   7           HA       LYS   7  -3.931  -3.006   2.764
   50    HB2  LYS   7           HB2      LYS   7  -5.807  -3.682   0.417
   51    HB3  LYS   7           HB3      LYS   7  -4.173  -4.266   0.502
   52    HG2  LYS   7           HG2      LYS   7  -5.754  -5.965   1.198
   53    HG3  LYS   7           HG3      LYS   7  -4.582  -5.634   2.453
   54    HD2  LYS   7           HD2      LYS   7  -7.257  -4.206   2.645
   55    HD3  LYS   7           HD3      LYS   7  -7.267  -5.937   2.865
   56    HE2  LYS   7           HE2      LYS   7  -5.425  -4.089   4.528
   57    HE3  LYS   7           HE3      LYS   7  -7.068  -4.492   5.006
   58    HZ1  LYS   7           HZ1      LYS   7  -4.909  -6.457   4.571
   59    HZ2  LYS   7           HZ2      LYS   7  -5.509  -5.948   6.046
   60    HZ3  LYS   7           HZ3      LYS   7  -6.469  -6.818   5.049
   61    H    ASP   8           H        ASP   8  -5.195  -0.293   0.821
   62    HA   ASP   8           HA       ASP   8  -2.626  -0.141  -0.807
   63    HB2  ASP   8           HB2      ASP   8  -4.756   1.045  -1.468
   64    HB3  ASP   8           HB3      ASP   8  -4.441   2.148  -0.121
   65    HD2  ASP   8           HD2      ASP   8  -2.628   2.497  -3.675
   66    H    PHE   9           H        PHE   9  -3.501   0.589   2.417
   67    HA   PHE   9           HA       PHE   9  -0.982   1.927   3.107
   68    HB2  PHE   9           HB2      PHE   9  -3.353   2.497   4.059
   69    HB3  PHE   9           HB3      PHE   9  -3.080   1.104   5.075
   70    HD1  PHE   9           HD1      PHE   9  -1.922   1.412   7.136
   71    HD2  PHE   9           HD2      PHE   9  -1.544   4.363   4.069
   72    HE1  PHE   9           HE1      PHE   9  -0.670   2.944   8.744
   73    HE2  PHE   9           HE2      PHE   9  -0.293   5.876   5.701
   74    HZ   PHE   9           HZ       PHE   9   0.101   5.117   7.975
   75    H    ILE  10           H        ILE  10  -1.242  -1.466   2.384
   76    HA   ILE  10           HA       ILE  10  -0.027  -2.614   4.593
   77    HB   ILE  10           HB       ILE  10   0.373  -3.430   1.758
   78   HG12  ILE  10          HG12      ILE  10  -1.424  -4.833   3.680
   79   HG13  ILE  10          HG13      ILE  10  -2.013  -3.422   2.858
   80   HG21  ILE  10          HG21      ILE  10   1.032  -5.719   2.639
   81   HG22  ILE  10          HG22      ILE  10   2.184  -4.493   3.161
   82   HG23  ILE  10          HG23      ILE  10   0.960  -5.085   4.301
   83   HD11  ILE  10          HD11      ILE  10  -1.536  -4.399   0.625
   84   HD12  ILE  10          HD12      ILE  10  -2.601  -5.474   1.562
   85   HD13  ILE  10          HD13      ILE  10  -0.881  -5.874   1.379
   86    H    ASN  11           H        ASN  11   1.144  -0.987   5.060
   87    HA   ASN  11           HA       ASN  11   3.187   0.368   5.575
   88    HB2  ASN  11           HB2      ASN  11   3.778  -1.961   5.970
   89    HB3  ASN  11           HB3      ASN  11   4.507  -2.008   4.382
   90   HD21  ASN  11          HD21      ASN  11   6.535  -0.160   7.469
   91   HD22  ASN  11          HD22      ASN  11   4.775  -0.665   7.614
   92    H    ASN  12           H        ASN  12   1.785   0.839   2.642
   93    HA   ASN  12           HA       ASN  12   2.025   2.588   1.290
   94    HB2  ASN  12           HB2      ASN  12   3.441   3.826   2.741
   95    HB3  ASN  12           HB3      ASN  12   4.794   2.962   2.196
   96   HD21  ASN  12          HD21      ASN  12   3.560   6.212   0.247
   97   HD22  ASN  12          HD22      ASN  12   2.872   5.294   1.714
   98    H    LYS  13           H        LYS  13   1.464   0.551   0.306
   99    HA   LYS  13           HA       LYS  13   1.377  -0.751  -1.564
  100    HB2  LYS  13           HB2      LYS  13   3.623   0.935  -2.744
  101    HB3  LYS  13           HB3      LYS  13   2.622  -0.198  -3.634
  102    HG2  LYS  13           HG2      LYS  13   1.657   2.378  -2.261
  103    HG3  LYS  13           HG3      LYS  13   1.944   2.175  -3.974
  104    HD2  LYS  13           HD2      LYS  13  -0.254   0.796  -2.316
  105    HD3  LYS  13           HD3      LYS  13  -0.476   2.159  -3.385
  106    HE2  LYS  13           HE2      LYS  13   0.361  -0.674  -4.318
  107    HE3  LYS  13           HE3      LYS  13  -1.280  -0.037  -4.337
  108    HZ1  LYS  13           HZ1      LYS  13  -0.241   0.181  -6.470
  109    HZ2  LYS  13           HZ2      LYS  13   0.986   1.130  -5.850
  110    HZ3  LYS  13           HZ3      LYS  13  -0.543   1.705  -5.856
  111    H    HIS  14           H        HIS  14   2.026  -2.221   0.073
  112    HA   HIS  14           HA       HIS  14   3.117  -4.191   0.777
  113    HB2  HIS  14           HB2      HIS  14   3.903  -4.494  -2.175
  114    HB3  HIS  14           HB3      HIS  14   4.010  -5.750  -0.965
  115    HD2  HIS  14           HD2      HIS  14   1.540  -4.146  -3.373
  116    HE1  HIS  14           HE1      HIS  14  -0.718  -6.846  -1.156
  117    HE2  HIS  14           HE2      HIS  14  -0.817  -5.356  -3.250
  118    H    LEU  15           H        LEU  15   4.421  -2.383   1.845
  119    HA   LEU  15           HA       LEU  15   6.430  -1.485   2.616
  120    HB2  LEU  15           HB2      LEU  15   7.636  -4.195   1.754
  121    HB3  LEU  15           HB3      LEU  15   8.388  -3.030   2.799
  122    HG   LEU  15           HG       LEU  15   6.474  -3.378   4.539
  123   HD11  LEU  15          HD11      LEU  15   5.332  -5.743   4.333
  124   HD12  LEU  15          HD12      LEU  15   5.909  -5.859   2.667
  125   HD13  LEU  15          HD13      LEU  15   4.732  -4.620   3.118
  126   HD21  LEU  15          HD21      LEU  15   8.839  -4.412   4.716
  127   HD22  LEU  15          HD22      LEU  15   7.638  -5.555   5.337
  128   HD23  LEU  15          HD23      LEU  15   8.339  -5.791   3.731
  129    H    ASN  16           H        ASN  16   5.755  -0.532   0.076
  130    HA   ASN  16           HA       ASN  16   6.579   0.583  -1.771
  131    HB2  ASN  16           HB2      ASN  16   7.436   1.814   0.098
  132    HB3  ASN  16           HB3      ASN  16   8.948   1.026  -0.031
  133   HD21  ASN  16          HD21      ASN  16   8.191   4.224  -2.269
  134   HD22  ASN  16          HD22      ASN  16   7.162   3.296  -1.023
  135    H    GLU  17           H        GLU  17   6.378  -1.575  -2.921
  136    HA   GLU  17           HA       GLU  17   6.982  -3.445  -3.919
  137    HB2  GLU  17           HB2      GLU  17   8.837  -1.478  -5.148
  138    HB3  GLU  17           HB3      GLU  17   8.298  -3.018  -5.808
  139    HG2  GLU  17           HG2      GLU  17   5.900  -2.316  -5.686
  140    HG3  GLU  17           HG3      GLU  17   6.379  -0.783  -5.050
  141    HE2  GLU  17           HE2      GLU  17   6.745  -1.621  -8.995
  142    H    HIS  18           H        HIS  18   7.711  -4.456  -1.884
  143    HA   HIS  18           HA       HIS  18   9.123  -5.689  -0.517
  144    HB2  HIS  18           HB2      HIS  18   8.775  -6.988  -2.644
  145    HB3  HIS  18           HB3      HIS  18  10.343  -6.460  -3.205
  146    HD2  HIS  18           HD2      HIS  18  10.374  -9.284  -3.224
  147    HE1  HIS  18           HE1      HIS  18  11.439  -9.660   0.785
  148    HE2  HIS  18           HE2      HIS  18  11.341 -11.001  -1.412
  149    H    ALA  19           H        ALA  19   9.964  -3.616   0.417
  150    HA   ALA  19           HA       ALA  19  12.899  -3.668   0.580
  151    HB1  ALA  19           HB1      ALA  19  12.573  -2.165  -1.405
  152    HB2  ALA  19           HB2      ALA  19  13.199  -1.267  -0.012
  153    HB3  ALA  19           HB3      ALA  19  11.479  -1.132  -0.448
  154    H    HIS  20           H        HIS  20  12.122  -0.990   1.687
  155    HA   HIS  20           HA       HIS  20  11.899  -1.814   4.506
  156    HB2  HIS  20           HB2      HIS  20  13.369   0.097   3.693
  157    HB3  HIS  20           HB3      HIS  20  11.934   1.087   3.529
  158    HD2  HIS  20           HD2      HIS  20  13.666   2.434   5.301
  159    HE1  HIS  20           HE1      HIS  20  12.343   0.392   8.682
  160    HE2  HIS  20           HE2      HIS  20  13.645   2.498   7.977
  161    HXT  HIS  20           HXT      HIS  20   8.312   0.069   3.763
  Start of MODEL   10
    1    H1   SER   1           H1       SER   1  -4.353   7.007   3.606
    2    H2   SER   1           H2       SER   1  -4.266   8.267   2.938
    3    H3   SER   1           H3       SER   1  -2.952   7.290   3.582
    4    HA   SER   1           HA       SER   1  -4.726   6.682   1.261
    5    HB2  SER   1           HB2      SER   1  -2.264   7.028   0.847
    6    HB3  SER   1           HB3      SER   1  -2.007   5.574   1.827
    7    HG   SER   1           HG       SER   1  -2.119   5.156  -0.397
    8    H    ASP   2           H        ASP   2  -5.570   6.135   3.949
    9    HA   ASP   2           HA       ASP   2  -5.507   3.182   4.228
   10    HB2  ASP   2           HB2      ASP   2  -6.383   3.815   6.637
   11    HB3  ASP   2           HB3      ASP   2  -4.910   4.697   6.307
   12    HD2  ASP   2           HD2      ASP   2  -6.364   7.798   6.499
   13    H    THR   3           H        THR   3  -6.927   4.181   2.186
   14    HA   THR   3           HA       THR   3  -9.668   4.299   2.402
   15    HB   THR   3           HB       THR   3  -8.654   4.889   0.374
   16    HG1  THR   3           HG1      THR   3 -10.039   3.899  -1.077
   17   HG21  THR   3          HG21      THR   3  -7.836   3.275  -1.350
   18   HG22  THR   3          HG22      THR   3  -7.979   1.934  -0.179
   19   HG23  THR   3          HG23      THR   3  -6.841   3.258   0.123
   20    H    ARG   4           H        ARG   4  -8.427   1.044   1.591
   21    HA   ARG   4           HA       ARG   4 -10.997  -0.074   2.502
   22    HB2  ARG   4           HB2      ARG   4  -8.631  -1.317   0.988
   23    HB3  ARG   4           HB3      ARG   4  -9.924  -2.277   1.637
   24    HG2  ARG   4           HG2      ARG   4 -10.612  -2.023  -0.486
   25    HG3  ARG   4           HG3      ARG   4 -11.580  -0.801   0.314
   26    HD2  ARG   4           HD2      ARG   4 -10.091   1.043  -0.610
   27    HD3  ARG   4           HD3      ARG   4  -8.928  -0.093  -1.219
   28    HE   ARG   4           HE       ARG   4 -11.613   0.571  -2.344
   29   HH11  ARG   4          HH11      ARG   4 -12.061  -0.025  -4.356
   30   HH12  ARG   4          HH12      ARG   4 -10.996  -1.226  -5.245
   31   HH21  ARG   4          HH21      ARG   4  -9.285  -2.064  -4.325
   32   HH22  ARG   4          HH22      ARG   4  -8.822  -1.610  -2.608
   33    H    TYR   5           H        TYR   5  -9.408   1.065   4.440
   34    HA   TYR   5           HA       TYR   5  -9.252   0.787   6.839
   35    HB2  TYR   5           HB2      TYR   5 -10.950  -0.881   6.868
   36    HB3  TYR   5           HB3      TYR   5  -9.807  -2.061   6.322
   37    HD1  TYR   5           HD1      TYR   5  -8.692  -3.412   8.031
   38    HD2  TYR   5           HD2      TYR   5 -10.403   0.371   9.169
   39    HE1  TYR   5           HE1      TYR   5  -8.219  -3.899  10.390
   40    HE2  TYR   5           HE2      TYR   5  -9.921  -0.131  11.525
   41    HH   TYR   5           HH       TYR   5  -9.071  -1.588  12.968
   42    H    ASN   6           H        ASN   6  -7.138   1.525   5.416
   43    HA   ASN   6           HA       ASN   6  -4.862   1.660   5.388
   44    HB2  ASN   6           HB2      ASN   6  -4.733  -0.438   7.619
   45    HB3  ASN   6           HB3      ASN   6  -3.363   0.433   6.985
   46   HD21  ASN   6          HD21      ASN   6  -4.052   3.446   8.815
   47   HD22  ASN   6          HD22      ASN   6  -3.170   2.692   7.393
   48    H    LYS   7           H        LYS   7  -6.354  -0.240   3.418
   49    HA   LYS   7           HA       LYS   7  -4.287  -2.137   2.797
   50    HB2  LYS   7           HB2      LYS   7  -6.565  -2.647   3.209
   51    HB3  LYS   7           HB3      LYS   7  -7.153  -1.362   2.142
   52    HG2  LYS   7           HG2      LYS   7  -5.587  -3.816   1.329
   53    HG3  LYS   7           HG3      LYS   7  -7.356  -3.630   1.286
   54    HD2  LYS   7           HD2      LYS   7  -7.362  -2.457  -0.612
   55    HD3  LYS   7           HD3      LYS   7  -6.186  -1.313  -0.059
   56    HE2  LYS   7           HE2      LYS   7  -4.269  -2.750  -0.664
   57    HE3  LYS   7           HE3      LYS   7  -5.328  -4.075  -1.145
   58    HZ1  LYS   7           HZ1      LYS   7  -6.211  -2.631  -2.896
   59    HZ2  LYS   7           HZ2      LYS   7  -4.552  -2.777  -3.039
   60    HZ3  LYS   7           HZ3      LYS   7  -5.183  -1.394  -2.436
   61    H    ASP   8           H        ASP   8  -5.553   0.787   1.027
   62    HA   ASP   8           HA       ASP   8  -3.104   0.557  -0.728
   63    HB2  ASP   8           HB2      ASP   8  -5.315   1.785  -1.360
   64    HB3  ASP   8           HB3      ASP   8  -4.665   3.089  -0.358
   65    HD2  ASP   8           HD2      ASP   8  -4.592   4.430  -1.906
   66    H    PHE   9           H        PHE   9  -3.139   1.202   2.352
   67    HA   PHE   9           HA       PHE   9  -0.424   2.374   2.409
   68    HB2  PHE   9           HB2      PHE   9  -2.318   3.710   3.469
   69    HB3  PHE   9           HB3      PHE   9  -2.379   2.460   4.674
   70    HD1  PHE   9           HD1      PHE   9   0.030   4.817   3.025
   71    HD2  PHE   9           HD2      PHE   9  -0.967   2.677   6.590
   72    HE1  PHE   9           HE1      PHE   9   1.950   5.953   4.262
   73    HE2  PHE   9           HE2      PHE   9   0.953   3.836   7.802
   74    HZ   PHE   9           HZ       PHE   9   2.344   5.425   6.601
   75    H    ILE  10           H        ILE  10  -1.302  -0.881   2.068
   76    HA   ILE  10           HA       ILE  10  -0.435  -2.124   4.333
   77    HB   ILE  10           HB       ILE  10  -0.105  -3.011   1.493
   78   HG12  ILE  10          HG12      ILE  10  -2.046  -4.166   3.434
   79   HG13  ILE  10          HG13      ILE  10  -2.404  -2.638   2.707
   80   HG21  ILE  10          HG21      ILE  10   1.547  -4.380   2.803
   81   HG22  ILE  10          HG22      ILE  10   0.286  -4.783   3.988
   82   HG23  ILE  10          HG23      ILE  10   0.185  -5.392   2.318
   83   HD11  ILE  10          HD11      ILE  10  -3.461  -4.424   1.360
   84   HD12  ILE  10          HD12      ILE  10  -2.204  -3.615   0.391
   85   HD13  ILE  10          HD13      ILE  10  -1.886  -5.219   1.105
   86    H    ASN  11           H        ASN  11   1.013  -0.725   4.864
   87    HA   ASN  11           HA       ASN  11   3.148   0.381   5.394
   88    HB2  ASN  11           HB2      ASN  11   3.531  -2.015   5.727
   89    HB3  ASN  11           HB3      ASN  11   4.291  -2.060   4.155
   90   HD21  ASN  11          HD21      ASN  11   6.362  -0.473   7.366
   91   HD22  ASN  11          HD22      ASN  11   4.574  -0.886   7.447
   92    H    ASN  12           H        ASN  12   1.734   1.003   2.459
   93    HA   ASN  12           HA       ASN  12   2.091   2.699   1.105
   94    HB2  ASN  12           HB2      ASN  12   3.441   3.883   2.652
   95    HB3  ASN  12           HB3      ASN  12   4.819   3.027   2.156
   96   HD21  ASN  12          HD21      ASN  12   3.688   6.331   0.231
   97   HD22  ASN  12          HD22      ASN  12   2.939   5.385   1.650
   98    H    LYS  13           H        LYS  13   1.542   0.729   0.063
   99    HA   LYS  13           HA       LYS  13   1.499  -0.564  -1.823
  100    HB2  LYS  13           HB2      LYS  13   3.878   1.038  -2.849
  101    HB3  LYS  13           HB3      LYS  13   2.906  -0.060  -3.810
  102    HG2  LYS  13           HG2      LYS  13   1.907   2.528  -2.479
  103    HG3  LYS  13           HG3      LYS  13   2.335   2.356  -4.164
  104    HD2  LYS  13           HD2      LYS  13  -0.022   0.931  -2.770
  105    HD3  LYS  13           HD3      LYS  13  -0.128   2.391  -3.738
  106    HE2  LYS  13           HE2      LYS  13   0.698   1.118  -5.784
  107    HE3  LYS  13           HE3      LYS  13   0.767  -0.367  -4.824
  108    HZ1  LYS  13           HZ1      LYS  13  -1.604  -0.146  -4.427
  109    HZ2  LYS  13           HZ2      LYS  13  -1.667   1.243  -5.353
  110    HZ3  LYS  13           HZ3      LYS  13  -1.280  -0.175  -6.066
  111    H    HIS  14           H        HIS  14   2.005  -2.050  -0.110
  112    HA   HIS  14           HA       HIS  14   3.022  -4.010   0.714
  113    HB2  HIS  14           HB2      HIS  14   3.547  -4.427  -2.279
  114    HB3  HIS  14           HB3      HIS  14   3.935  -5.634  -1.076
  115    HD2  HIS  14           HD2      HIS  14   1.965  -6.987   0.159
  116    HE1  HIS  14           HE1      HIS  14  -1.238  -5.434  -1.992
  117    HE2  HIS  14           HE2      HIS  14  -0.629  -7.283  -0.311
  118    H    LEU  15           H        LEU  15   4.373  -2.319   1.734
  119    HA   LEU  15           HA       LEU  15   6.400  -1.530   2.558
  120    HB2  LEU  15           HB2      LEU  15   7.565  -4.244   1.680
  121    HB3  LEU  15           HB3      LEU  15   8.279  -3.116   2.796
  122    HG   LEU  15           HG       LEU  15   6.281  -3.496   4.432
  123   HD11  LEU  15          HD11      LEU  15   5.141  -5.852   4.104
  124   HD12  LEU  15          HD12      LEU  15   5.787  -5.917   2.462
  125   HD13  LEU  15          HD13      LEU  15   4.597  -4.688   2.903
  126   HD21  LEU  15          HD21      LEU  15   7.384  -5.709   5.222
  127   HD22  LEU  15          HD22      LEU  15   8.170  -5.896   3.648
  128   HD23  LEU  15          HD23      LEU  15   8.615  -4.550   4.702
  129    H    ASN  16           H        ASN  16   5.789  -0.513   0.028
  130    HA   ASN  16           HA       ASN  16   6.673   0.593  -1.796
  131    HB2  ASN  16           HB2      ASN  16   7.521   1.786   0.112
  132    HB3  ASN  16           HB3      ASN  16   9.019   0.969  -0.007
  133   HD21  ASN  16          HD21      ASN  16   8.352   4.211  -2.210
  134   HD22  ASN  16          HD22      ASN  16   7.288   3.284  -0.994
  135    H    GLU  17           H        GLU  17   6.453  -1.563  -2.951
  136    HA   GLU  17           HA       GLU  17   7.049  -3.434  -3.954
  137    HB2  GLU  17           HB2      GLU  17   8.933  -1.477  -5.157
  138    HB3  GLU  17           HB3      GLU  17   8.384  -3.008  -5.830
  139    HG2  GLU  17           HG2      GLU  17   5.996  -2.286  -5.724
  140    HG3  GLU  17           HG3      GLU  17   6.474  -0.761  -5.074
  141    HE2  GLU  17           HE2      GLU  17   7.606   0.618  -6.291
  142    H    HIS  18           H        HIS  18   7.746  -4.495  -1.943
  143    HA   HIS  18           HA       HIS  18   9.110  -5.781  -0.596
  144    HB2  HIS  18           HB2      HIS  18   8.889  -6.990  -2.768
  145    HB3  HIS  18           HB3      HIS  18  10.462  -6.402  -3.254
  146    HD2  HIS  18           HD2      HIS  18  10.563  -9.223  -3.384
  147    HE1  HIS  18           HE1      HIS  18  11.526  -9.727   0.638
  148    HE2  HIS  18           HE2      HIS  18  11.524 -10.984  -1.609
  149    H    ALA  19           H        ALA  19   9.923  -4.125   0.673
  150    HA   ALA  19           HA       ALA  19  12.818  -3.939   0.816
  151    HB1  ALA  19           HB1      ALA  19  12.588  -2.150  -0.920
  152    HB2  ALA  19           HB2      ALA  19  11.402  -1.279   0.081
  153    HB3  ALA  19           HB3      ALA  19  13.092  -1.431   0.622
  154    H    HIS  20           H        HIS  20  12.449  -4.766   2.843
  155    HA   HIS  20           HA       HIS  20  10.693  -3.484   4.792
  156    HB2  HIS  20           HB2      HIS  20  11.161  -5.990   4.601
  157    HB3  HIS  20           HB3      HIS  20  12.707  -5.709   5.379
  158    HD2  HIS  20           HD2      HIS  20  11.267  -7.532   6.993
  159    HE1  HIS  20           HE1      HIS  20   9.173  -4.589   9.067
  160    HE2  HIS  20           HE2      HIS  20   9.786  -7.087   9.177
  161    HXT  HIS  20           HXT      HIS  20  14.475  -2.466   6.048
  Start of MODEL   11
    1    H1   SER   1           H1       SER   1  15.839  13.708   5.923
    2    H2   SER   1           H2       SER   1  16.121  12.551   6.712
    3    H3   SER   1           H3       SER   1  14.550  13.260   6.336
    4    HA   SER   1           HA       SER   1  14.524  12.502   4.192
    5    HB2  SER   1           HB2      SER   1  15.322  14.599   3.957
    6    HB3  SER   1           HB3      SER   1  16.895  14.185   4.614
    7    HG   SER   1           HG       SER   1  17.267  12.966   2.677
    8    H    ASP   2           H        ASP   2  14.653  10.437   5.298
    9    HA   ASP   2           HA       ASP   2  15.950   8.564   3.494
   10    HB2  ASP   2           HB2      ASP   2  17.910   9.073   5.279
   11    HB3  ASP   2           HB3      ASP   2  16.925   8.233   6.439
   12    HD2  ASP   2           HD2      ASP   2  17.672   5.070   5.279
   13    H    THR   3           H        THR   3  13.434   8.591   3.468
   14    HA   THR   3           HA       THR   3  11.928   7.453   5.301
   15    HB   THR   3           HB       THR   3  11.346   6.836   2.459
   16    HG1  THR   3           HG1      THR   3  12.375   8.830   2.345
   17   HG21  THR   3          HG21      THR   3   9.134   7.837   3.101
   18   HG22  THR   3          HG22      THR   3   9.835   8.367   4.665
   19   HG23  THR   3          HG23      THR   3   9.612   6.628   4.345
   20    H    ARG   4           H        ARG   4  14.144   5.438   3.493
   21    HA   ARG   4           HA       ARG   4  12.834   2.898   3.836
   22    HB2  ARG   4           HB2      ARG   4  15.883   3.541   3.714
   23    HB3  ARG   4           HB3      ARG   4  15.258   1.916   3.771
   24    HG2  ARG   4           HG2      ARG   4  15.767   2.269   1.536
   25    HG3  ARG   4           HG3      ARG   4  14.033   2.232   1.599
   26    HD2  ARG   4           HD2      ARG   4  13.905   4.778   1.342
   27    HD3  ARG   4           HD3      ARG   4  15.640   4.937   1.555
   28    HE   ARG   4           HE       ARG   4  15.316   3.159  -0.635
   29   HH11  ARG   4          HH11      ARG   4  14.561   6.981  -1.686
   30   HH12  ARG   4          HH12      ARG   4  14.459   6.526   0.088
   31   HH21  ARG   4          HH21      ARG   4  15.063   5.538  -3.150
   32   HH22  ARG   4          HH22      ARG   4  15.411   3.797  -2.686
   33    H    TYR   5           H        TYR   5  15.200   4.527   5.902
   34    HA   TYR   5           HA       TYR   5  15.181   2.608   8.091
   35    HB2  TYR   5           HB2      TYR   5  17.067   4.208   7.862
   36    HB3  TYR   5           HB3      TYR   5  15.980   5.485   8.356
   37    HD1  TYR   5           HD1      TYR   5  17.595   2.281   9.491
   38    HD2  TYR   5           HD2      TYR   5  15.591   5.878  10.749
   39    HE1  TYR   5           HE1      TYR   5  18.188   1.806  11.828
   40    HE2  TYR   5           HE2      TYR   5  16.191   5.389  13.079
   41    HH   TYR   5           HH       TYR   5  18.060   2.477  13.941
   42    H    ASN   6           H        ASN   6  13.266   5.539   7.509
   43    HA   ASN   6           HA       ASN   6  11.715   5.721   9.932
   44    HB2  ASN   6           HB2      ASN   6  11.044   6.487   7.009
   45    HB3  ASN   6           HB3      ASN   6   9.904   6.796   8.244
   46   HD21  ASN   6          HD21      ASN   6  11.740   9.567   9.701
   47   HD22  ASN   6          HD22      ASN   6  10.554   8.216  10.076
   48    H    LYS   7           H        LYS   7  11.406   3.385   7.397
   49    HA   LYS   7           HA       LYS   7  10.009   1.724   6.834
   50    HB2  LYS   7           HB2      LYS   7   8.381   1.819   9.348
   51    HB3  LYS   7           HB3      LYS   7   8.719   0.476   8.265
   52    HG2  LYS   7           HG2      LYS   7  10.821   1.811  10.093
   53    HG3  LYS   7           HG3      LYS   7   9.909   0.390  10.533
   54    HD2  LYS   7           HD2      LYS   7  11.834   0.547   8.131
   55    HD3  LYS   7           HD3      LYS   7  12.292  -0.026   9.715
   56    HE2  LYS   7           HE2      LYS   7  10.148  -1.380   7.937
   57    HE3  LYS   7           HE3      LYS   7  11.835  -1.869   8.050
   58    HZ1  LYS   7           HZ1      LYS   7  10.455  -3.194   9.465
   59    HZ2  LYS   7           HZ2      LYS   7   9.941  -1.858  10.329
   60    HZ3  LYS   7           HZ3      LYS   7  11.511  -2.309  10.412
   61    H    ASP   8           H        ASP   8   8.705   4.773   7.052
   62    HA   ASP   8           HA       ASP   8   5.831   4.324   6.496
   63    HB2  ASP   8           HB2      ASP   8   6.738   6.476   7.369
   64    HB3  ASP   8           HB3      ASP   8   7.526   6.702   5.808
   65    HD2  ASP   8           HD2      ASP   8   3.535   7.240   6.288
   66    H    PHE   9           H        PHE   9   8.733   4.628   4.556
   67    HA   PHE   9           HA       PHE   9   7.763   4.506   1.908
   68    HB2  PHE   9           HB2      PHE   9  10.144   4.960   2.751
   69    HB3  PHE   9           HB3      PHE   9  10.333   3.237   2.847
   70    HD1  PHE   9           HD1      PHE   9   9.369   5.916   0.407
   71    HD2  PHE   9           HD2      PHE   9  11.411   2.219   1.050
   72    HE1  PHE   9           HE1      PHE   9  10.376   6.044  -1.939
   73    HE2  PHE   9           HE2      PHE   9  12.409   2.377  -1.292
   74    HZ   PHE   9           HZ       PHE   9  11.856   4.275  -2.704
   75    H    ILE  10           H        ILE  10   9.129   1.694   3.709
   76    HA   ILE  10           HA       ILE  10   8.205  -0.515   2.334
   77    HB   ILE  10           HB       ILE  10   8.770  -0.149   5.199
   78   HG12  ILE  10          HG12      ILE  10  10.565  -1.499   3.216
   79   HG13  ILE  10          HG13      ILE  10  10.602   0.250   3.338
   80   HG21  ILE  10          HG21      ILE  10   8.698  -2.908   3.870
   81   HG22  ILE  10          HG22      ILE  10   7.438  -2.300   4.974
   82   HG23  ILE  10          HG23      ILE  10   9.086  -2.543   5.560
   83   HD11  ILE  10          HD11      ILE  10  11.190   0.119   5.774
   84   HD12  ILE  10          HD12      ILE  10  12.404  -0.622   4.706
   85   HD13  ILE  10          HD13      ILE  10  11.294  -1.660   5.636
   86    H    ASN  11           H        ASN  11   6.748   0.674   4.890
   87    HA   ASN  11           HA       ASN  11   4.254  -0.662   5.158
   88    HB2  ASN  11           HB2      ASN  11   5.175   0.958   6.884
   89    HB3  ASN  11           HB3      ASN  11   4.566   2.239   5.868
   90   HD21  ASN  11          HD21      ASN  11   1.932   0.142   8.263
   91   HD22  ASN  11          HD22      ASN  11   3.616  -0.487   7.882
   92    H    ASN  12           H        ASN  12   4.868   1.392   2.459
   93    HA   ASN  12           HA       ASN  12   1.992   1.581   1.891
   94    HB2  ASN  12           HB2      ASN  12   3.503   3.744   1.817
   95    HB3  ASN  12           HB3      ASN  12   4.081   3.054   0.366
   96   HD21  ASN  12          HD21      ASN  12   0.579   4.966   0.470
   97   HD22  ASN  12          HD22      ASN  12   1.744   4.434   1.824
   98    H    LYS  13           H        LYS  13   3.941   1.104  -0.350
   99    HA   LYS  13           HA       LYS  13   2.171  -0.549  -1.958
  100    HB2  LYS  13           HB2      LYS  13   5.061   0.073  -2.748
  101    HB3  LYS  13           HB3      LYS  13   3.828  -0.532  -3.803
  102    HG2  LYS  13           HG2      LYS  13   3.933   2.259  -2.573
  103    HG3  LYS  13           HG3      LYS  13   4.273   1.826  -4.230
  104    HD2  LYS  13           HD2      LYS  13   1.516   1.525  -2.875
  105    HD3  LYS  13           HD3      LYS  13   2.028   2.915  -3.818
  106    HE2  LYS  13           HE2      LYS  13   2.312   1.431  -5.876
  107    HE3  LYS  13           HE3      LYS  13   1.767   0.034  -4.935
  108    HZ1  LYS  13           HZ1      LYS  13  -0.328   1.175  -4.568
  109    HZ2  LYS  13           HZ2      LYS  13  -0.013   1.031  -6.203
  110    HZ3  LYS  13           HZ3      LYS  13   0.182   2.482  -5.477
  111    H    HIS  14           H        HIS  14   3.581  -1.858   0.250
  112    HA   HIS  14           HA       HIS  14   2.893  -4.208   0.939
  113    HB2  HIS  14           HB2      HIS  14   3.313  -5.110  -1.982
  114    HB3  HIS  14           HB3      HIS  14   3.045  -6.153  -0.613
  115    HD2  HIS  14           HD2      HIS  14   0.532  -6.065   0.616
  116    HE1  HIS  14           HE1      HIS  14  -1.412  -4.260  -2.589
  117    HE2  HIS  14           HE2      HIS  14  -1.862  -5.504  -0.383
  118    H    LEU  15           H        LEU  15   4.713  -3.385   2.086
  119    HA   LEU  15           HA       LEU  15   6.959  -3.012   2.582
  120    HB2  LEU  15           HB2      LEU  15   7.325  -5.640   0.975
  121    HB3  LEU  15           HB3      LEU  15   8.569  -4.915   1.925
  122    HG   LEU  15           HG       LEU  15   7.025  -5.221   4.062
  123   HD11  LEU  15          HD11      LEU  15   4.794  -5.780   2.931
  124   HD12  LEU  15          HD12      LEU  15   5.525  -7.102   2.019
  125   HD13  LEU  15          HD13      LEU  15   5.348  -7.227   3.770
  126   HD21  LEU  15          HD21      LEU  15   7.788  -7.704   4.191
  127   HD22  LEU  15          HD22      LEU  15   9.072  -6.686   3.518
  128   HD23  LEU  15          HD23      LEU  15   8.108  -7.709   2.453
  129    H    ASN  16           H        ASN  16   5.964  -1.391   0.415
  130    HA   ASN  16           HA       ASN  16   6.634  -0.213  -1.482
  131    HB2  ASN  16           HB2      ASN  16   8.016   0.624   0.294
  132    HB3  ASN  16           HB3      ASN  16   9.328  -0.292  -0.255
  133   HD21  ASN  16          HD21      ASN  16   8.452   3.213  -1.979
  134   HD22  ASN  16          HD22      ASN  16   7.677   2.271  -0.577
  135    H    GLU  17           H        GLU  17   6.037  -1.968  -3.008
  136    HA   GLU  17           HA       GLU  17   6.153  -3.845  -4.201
  137    HB2  GLU  17           HB2      GLU  17   8.258  -2.079  -5.347
  138    HB3  GLU  17           HB3      GLU  17   7.406  -3.379  -6.170
  139    HG2  GLU  17           HG2      GLU  17   5.190  -2.300  -5.748
  140    HG3  GLU  17           HG3      GLU  17   5.979  -0.995  -4.932
  141    HE2  GLU  17           HE2      GLU  17   5.517  -2.557  -7.876
  142    H    HIS  18           H        HIS  18   7.498  -4.654  -1.857
  143    HA   HIS  18           HA       HIS  18   9.513  -6.628  -2.794
  144    HB2  HIS  18           HB2      HIS  18   9.134  -5.303  -0.158
  145    HB3  HIS  18           HB3      HIS  18  10.160  -6.663  -0.412
  146    HD2  HIS  18           HD2      HIS  18  11.667  -4.588   0.814
  147    HE1  HIS  18           HE1      HIS  18  12.900  -2.985  -2.825
  148    HE2  HIS  18           HE2      HIS  18  13.449  -2.953  -0.311
  149    H    ALA  19           H        ALA  19   8.207  -7.190  -0.023
  150    HA   ALA  19           HA       ALA  19   6.727  -8.838   0.966
  151    HB1  ALA  19           HB1      ALA  19   5.147  -8.842  -1.664
  152    HB2  ALA  19           HB2      ALA  19   4.630  -9.521  -0.105
  153    HB3  ALA  19           HB3      ALA  19   4.877  -7.771  -0.268
  154    H    HIS  20           H        HIS  20   8.182 -10.422   1.326
  155    HA   HIS  20           HA       HIS  20   9.079 -12.326  -0.671
  156    HB2  HIS  20           HB2      HIS  20  10.378 -11.559   1.379
  157    HB3  HIS  20           HB3      HIS  20   9.370 -12.604   2.363
  158    HD2  HIS  20           HD2      HIS  20  12.041 -13.419   2.762
  159    HE1  HIS  20           HE1      HIS  20  12.112 -15.963  -0.535
  160    HE2  HIS  20           HE2      HIS  20  13.383 -15.446   1.643
  161    HXT  HIS  20           HXT      HIS  20   6.259 -14.491   1.409
  Start of MODEL   12
    1    H1   SER   1           H1       SER   1  11.499   4.416   7.577
    2    H2   SER   1           H2       SER   1  11.163   3.134   7.046
    3    H3   SER   1           H3       SER   1  10.294   4.067   8.259
    4    HA   SER   1           HA       SER   1  13.057   2.937   8.459
    5    HB2  SER   1           HB2      SER   1  12.830   5.438   8.112
    6    HB3  SER   1           HB3      SER   1  12.094   5.466   9.722
    7    HG   SER   1           HG       SER   1  14.335   5.817   9.765
    8    H    ASP   2           H        ASP   2  10.953   1.388   9.177
    9    HA   ASP   2           HA       ASP   2  10.218  -0.101  10.787
   10    HB2  ASP   2           HB2      ASP   2  12.826  -0.315  11.157
   11    HB3  ASP   2           HB3      ASP   2  12.647   0.902  12.372
   12    HD2  ASP   2           HD2      ASP   2  12.065  -1.396  14.829
   13    H    THR   3           H        THR   3   8.816   2.371  10.762
   14    HA   THR   3           HA       THR   3   8.280   3.688  13.016
   15    HB   THR   3           HB       THR   3   6.352   2.774  10.927
   16    HG1  THR   3           HG1      THR   3   7.088   4.607   9.806
   17   HG21  THR   3          HG21      THR   3   5.434   5.062  11.172
   18   HG22  THR   3          HG22      THR   3   6.601   5.364  12.506
   19   HG23  THR   3          HG23      THR   3   5.311   4.119  12.701
   20    H    ARG   4           H        ARG   4   5.923   1.130  12.344
   21    HA   ARG   4           HA       ARG   4   5.535   0.812  15.313
   22    HB2  ARG   4           HB2      ARG   4   3.529  -0.032  13.098
   23    HB3  ARG   4           HB3      ARG   4   3.257  -0.112  14.804
   24    HG2  ARG   4           HG2      ARG   4   2.196   1.867  14.624
   25    HG3  ARG   4           HG3      ARG   4   3.765   2.616  14.571
   26    HD2  ARG   4           HD2      ARG   4   3.706   2.379  11.921
   27    HD3  ARG   4           HD3      ARG   4   2.087   1.731  12.061
   28    HE   ARG   4           HE       ARG   4   2.226   4.253  13.500
   29   HH11  ARG   4          HH11      ARG   4   1.441   4.566   9.552
   30   HH12  ARG   4          HH12      ARG   4   2.151   2.997  10.180
   31   HH21  ARG   4          HH21      ARG   4   1.405   6.054  12.659
   32   HH22  ARG   4          HH22      ARG   4   1.048   6.180  10.863
   33    H    TYR   5           H        TYR   5   7.753  -0.264  14.118
   34    HA   TYR   5           HA       TYR   5   9.064  -2.228  14.129
   35    HB2  TYR   5           HB2      TYR   5   7.810  -3.178  15.936
   36    HB3  TYR   5           HB3      TYR   5   6.579  -3.668  14.819
   37    HD1  TYR   5           HD1      TYR   5  10.305  -4.087  15.415
   38    HD2  TYR   5           HD2      TYR   5   6.695  -5.968  14.014
   39    HE1  TYR   5           HE1      TYR   5  11.506  -6.213  15.146
   40    HE2  TYR   5           HE2      TYR   5   7.910  -8.085  13.750
   41    HH   TYR   5           HH       TYR   5   9.854  -9.139  13.953
   42    H    ASN   6           H        ASN   6   8.387  -0.738  11.981
   43    HA   ASN   6           HA       ASN   6   8.491  -0.654   9.724
   44    HB2  ASN   6           HB2      ASN   6   8.341  -3.705   9.387
   45    HB3  ASN   6           HB3      ASN   6   8.793  -2.544   8.176
   46   HD21  ASN   6          HD21      ASN   6  12.213  -2.279   9.272
   47   HD22  ASN   6          HD22      ASN   6  10.849  -1.410   8.403
   48    H    LYS   7           H        LYS   7   5.678  -0.975  11.171
   49    HA   LYS   7           HA       LYS   7   4.110  -2.042   8.935
   50    HB2  LYS   7           HB2      LYS   7   2.583  -0.310  10.806
   51    HB3  LYS   7           HB3      LYS   7   2.044  -1.515   9.651
   52    HG2  LYS   7           HG2      LYS   7   3.456  -2.088  12.293
   53    HG3  LYS   7           HG3      LYS   7   1.759  -2.299  11.973
   54    HD2  LYS   7           HD2      LYS   7   4.045  -3.908  10.674
   55    HD3  LYS   7           HD3      LYS   7   3.065  -4.422  12.034
   56    HE2  LYS   7           HE2      LYS   7   0.964  -4.294  10.548
   57    HE3  LYS   7           HE3      LYS   7   2.005  -3.915   9.169
   58    HZ1  LYS   7           HZ1      LYS   7   2.160  -6.373  10.803
   59    HZ2  LYS   7           HZ2      LYS   7   3.128  -6.021   9.487
   60    HZ3  LYS   7           HZ3      LYS   7   1.525  -6.243   9.263
   61    H    ASP   8           H        ASP   8   5.038   1.296   9.730
   62    HA   ASP   8           HA       ASP   8   3.364   2.648   7.779
   63    HB2  ASP   8           HB2      ASP   8   4.716   3.843   9.454
   64    HB3  ASP   8           HB3      ASP   8   6.149   3.467   8.491
   65    HD2  ASP   8           HD2      ASP   8   3.158   5.055   8.568
   66    H    PHE   9           H        PHE   9   6.503   1.091   7.319
   67    HA   PHE   9           HA       PHE   9   6.645   1.415   4.425
   68    HB2  PHE   9           HB2      PHE   9   8.601   0.944   6.154
   69    HB3  PHE   9           HB3      PHE   9   8.104  -0.713   5.955
   70    HD1  PHE   9           HD1      PHE   9   9.840  -1.757   4.808
   71    HD2  PHE   9           HD2      PHE   9   8.604   2.112   3.473
   72    HE1  PHE   9           HE1      PHE   9  11.578  -1.825   2.944
   73    HE2  PHE   9           HE2      PHE   9  10.344   2.007   1.611
   74    HZ   PHE   9           HZ       PHE   9  11.773   0.051   1.420
   75    H    ILE  10           H        ILE  10   5.624  -1.558   6.380
   76    HA   ILE  10           HA       ILE  10   4.781  -3.060   4.288
   77    HB   ILE  10           HB       ILE  10   3.651  -2.906   6.997
   78   HG12  ILE  10          HG12      ILE  10   5.372  -5.076   5.868
   79   HG13  ILE  10          HG13      ILE  10   6.141  -3.622   6.465
   80   HG21  ILE  10          HG21      ILE  10   3.023  -5.140   4.981
   81   HG22  ILE  10          HG22      ILE  10   2.621  -5.181   6.718
   82   HG23  ILE  10          HG23      ILE  10   1.849  -3.987   5.665
   83   HD11  ILE  10          HD11      ILE  10   4.458  -5.508   8.190
   84   HD12  ILE  10          HD12      ILE  10   6.234  -5.303   8.200
   85   HD13  ILE  10          HD13      ILE  10   5.191  -3.973   8.730
   86    H    ASN  11           H        ASN  11   3.025  -0.720   5.548
   87    HA   ASN  11           HA       ASN  11   0.717  -0.775   3.708
   88    HB2  ASN  11           HB2      ASN  11   0.552  -0.006   6.143
   89    HB3  ASN  11           HB3      ASN  11   1.310   1.471   5.609
   90   HD21  ASN  11          HD21      ASN  11  -2.676   0.858   4.751
   91   HD22  ASN  11          HD22      ASN  11  -1.578  -0.510   5.294
   92    H    ASN  12           H        ASN  12   3.854   0.596   3.252
   93    HA   ASN  12           HA       ASN  12   2.979   2.790   1.456
   94    HB2  ASN  12           HB2      ASN  12   4.656   3.340   3.204
   95    HB3  ASN  12           HB3      ASN  12   5.785   2.369   2.365
   96   HD21  ASN  12          HD21      ASN  12   5.152   6.121   1.227
   97   HD22  ASN  12          HD22      ASN  12   4.345   5.070   2.534
   98    H    LYS  13           H        LYS  13   2.350   0.457   0.782
   99    HA   LYS  13           HA       LYS  13   1.866  -0.771  -1.143
  100    HB2  LYS  13           HB2      LYS  13   4.006   0.816  -2.604
  101    HB3  LYS  13           HB3      LYS  13   2.848  -0.278  -3.352
  102    HG2  LYS  13           HG2      LYS  13   2.162   2.305  -1.824
  103    HG3  LYS  13           HG3      LYS  13   2.228   2.158  -3.565
  104    HD2  LYS  13           HD2      LYS  13   0.228   0.694  -1.720
  105    HD3  LYS  13           HD3      LYS  13  -0.089   2.189  -2.578
  106    HE2  LYS  13           HE2      LYS  13   0.243   1.004  -4.812
  107    HE3  LYS  13           HE3      LYS  13   0.531  -0.517  -3.954
  108    HZ1  LYS  13           HZ1      LYS  13  -1.955   1.074  -3.812
  109    HZ2  LYS  13           HZ2      LYS  13  -1.680  -0.371  -3.019
  110    HZ3  LYS  13           HZ3      LYS  13  -1.736  -0.354  -4.653
  111    H    HIS  14           H        HIS  14   2.691  -2.209   0.533
  112    HA   HIS  14           HA       HIS  14   3.752  -4.205   1.115
  113    HB2  HIS  14           HB2      HIS  14   4.101  -4.619  -1.909
  114    HB3  HIS  14           HB3      HIS  14   4.393  -5.840  -0.695
  115    HD2  HIS  14           HD2      HIS  14   2.197  -6.729   0.813
  116    HE1  HIS  14           HE1      HIS  14  -0.636  -5.592  -2.015
  117    HE2  HIS  14           HE2      HIS  14  -0.336  -7.045   0.086
  118    H    LEU  15           H        LEU  15   5.221  -2.325   1.882
  119    HA   LEU  15           HA       LEU  15   7.402  -1.580   2.409
  120    HB2  LEU  15           HB2      LEU  15   8.383  -4.322   1.428
  121    HB3  LEU  15           HB3      LEU  15   9.236  -3.184   2.421
  122    HG   LEU  15           HG       LEU  15   7.312  -3.547   4.251
  123   HD11  LEU  15          HD11      LEU  15   5.686  -4.984   2.884
  124   HD12  LEU  15          HD12      LEU  15   6.428  -6.052   4.072
  125   HD13  LEU  15          HD13      LEU  15   6.978  -6.089   2.400
  126   HD21  LEU  15          HD21      LEU  15   8.662  -5.584   5.098
  127   HD22  LEU  15          HD22      LEU  15   9.390  -5.791   3.498
  128   HD23  LEU  15          HD23      LEU  15   9.754  -4.347   4.452
  129    H    ASN  16           H        ASN  16   6.380  -0.609   0.012
  130    HA   ASN  16           HA       ASN  16   6.941   0.441  -1.962
  131    HB2  ASN  16           HB2      ASN  16   8.109   1.663  -0.233
  132    HB3  ASN  16           HB3      ASN  16   9.561   0.853  -0.633
  133   HD21  ASN  16          HD21      ASN  16   8.309   3.987  -2.824
  134   HD22  ASN  16          HD22      ASN  16   7.667   3.156  -1.279
  135    H    GLU  17           H        GLU  17   6.556  -1.744  -3.030
  136    HA   GLU  17           HA       GLU  17   7.030  -3.658  -4.056
  137    HB2  GLU  17           HB2      GLU  17   8.525  -1.639  -5.643
  138    HB3  GLU  17           HB3      GLU  17   7.951  -3.214  -6.178
  139    HG2  GLU  17           HG2      GLU  17   5.588  -2.627  -5.617
  140    HG3  GLU  17           HG3      GLU  17   6.091  -1.060  -5.094
  141    HE2  GLU  17           HE2      GLU  17   6.881   0.349  -6.525
  142    H    HIS  18           H        HIS  18   8.203  -4.560  -2.166
  143    HA   HIS  18           HA       HIS  18   9.919  -5.674  -1.074
  144    HB2  HIS  18           HB2      HIS  18   9.188  -7.086  -3.016
  145    HB3  HIS  18           HB3      HIS  18  10.583  -6.539  -3.921
  146    HD2  HIS  18           HD2      HIS  18  10.725  -9.359  -3.819
  147    HE1  HIS  18           HE1      HIS  18  12.646  -9.480  -0.123
  148    HE2  HIS  18           HE2      HIS  18  12.138 -10.941  -2.182
  149    H    ALA  19           H        ALA  19  10.926  -3.738  -0.316
  150    HA   ALA  19           HA       ALA  19  12.824  -2.697   0.437
  151    HB1  ALA  19           HB1      ALA  19  15.121  -3.400  -0.043
  152    HB2  ALA  19           HB2      ALA  19  14.094  -4.811   0.289
  153    HB3  ALA  19           HB3      ALA  19  14.583  -4.437  -1.383
  154    H    HIS  20           H        HIS  20  12.686  -0.666  -0.089
  155    HA   HIS  20           HA       HIS  20  12.799   0.513  -2.703
  156    HB2  HIS  20           HB2      HIS  20  11.768   1.499  -0.576
  157    HB3  HIS  20           HB3      HIS  20  13.369   1.973  -0.056
  158    HD2  HIS  20           HD2      HIS  20  11.789   4.312  -0.143
  159    HE1  HIS  20           HE1      HIS  20  12.303   4.971  -4.221
  160    HE2  HIS  20           HE2      HIS  20  11.507   6.140  -2.072
  161    HXT  HIS  20           HXT      HIS  20  16.293   0.943  -3.399
  Start of MODEL   13
    1    H1   SER   1           H1       SER   1 -11.344   0.907  10.048
    2    H2   SER   1           H2       SER   1 -10.854   0.321  11.254
    3    H3   SER   1           H3       SER   1 -11.541   1.924  11.032
    4    HA   SER   1           HA       SER   1 -12.922  -0.715  10.834
    5    HB2  SER   1           HB2      SER   1 -13.610   0.883  12.662
    6    HB3  SER   1           HB3      SER   1 -14.192   1.936  11.358
    7    HG   SER   1           HG       SER   1 -15.509   0.205  10.663
    8    H    ASP   2           H        ASP   2 -11.436   0.324   8.636
    9    HA   ASP   2           HA       ASP   2 -13.333  -0.114   6.492
   10    HB2  ASP   2           HB2      ASP   2 -13.678   2.511   7.010
   11    HB3  ASP   2           HB3      ASP   2 -12.061   2.730   6.412
   12    HD2  ASP   2           HD2      ASP   2 -15.154   1.931   3.931
   13    H    THR   3           H        THR   3 -11.480  -1.824   6.763
   14    HA   THR   3           HA       THR   3  -9.006  -1.422   5.973
   15    HB   THR   3           HB       THR   3 -10.377  -3.934   5.151
   16    HG1  THR   3           HG1      THR   3 -10.404  -4.576   7.317
   17   HG21  THR   3          HG21      THR   3  -7.910  -3.276   6.869
   18   HG22  THR   3          HG22      THR   3  -8.397  -4.922   6.355
   19   HG23  THR   3          HG23      THR   3  -7.846  -3.715   5.139
   20    H    ARG   4           H        ARG   4 -11.568  -1.498   3.536
   21    HA   ARG   4           HA       ARG   4  -9.956  -2.001   1.197
   22    HB2  ARG   4           HB2      ARG   4 -12.483  -0.197   1.481
   23    HB3  ARG   4           HB3      ARG   4 -11.694  -0.488  -0.043
   24    HG2  ARG   4           HG2      ARG   4 -13.439  -1.980  -0.112
   25    HG3  ARG   4           HG3      ARG   4 -12.063  -2.994   0.210
   26    HD2  ARG   4           HD2      ARG   4 -12.746  -3.123   2.726
   27    HD3  ARG   4           HD3      ARG   4 -14.071  -2.013   2.428
   28    HE   ARG   4           HE       ARG   4 -14.319  -4.207   0.572
   29   HH11  ARG   4          HH11      ARG   4 -14.605  -3.612   4.061
   30   HH12  ARG   4          HH12      ARG   4 -15.794  -4.998   4.246
   31   HH21  ARG   4          HH21      ARG   4 -15.718  -5.808   0.899
   32   HH22  ARG   4          HH22      ARG   4 -16.379  -6.155   2.574
   33    H    TYR   5           H        TYR   5 -10.703   1.064   2.753
   34    HA   TYR   5           HA       TYR   5  -9.004   2.746   1.102
   35    HB2  TYR   5           HB2      TYR   5 -10.775   3.790   2.457
   36    HB3  TYR   5           HB3      TYR   5  -9.873   3.387   3.899
   37    HD1  TYR   5           HD1      TYR   5  -9.639   5.394   0.709
   38    HD2  TYR   5           HD2      TYR   5  -8.222   4.935   4.748
   39    HE1  TYR   5           HE1      TYR   5  -8.477   7.553   0.557
   40    HE2  TYR   5           HE2      TYR   5  -7.075   7.098   4.584
   41    HH   TYR   5           HH       TYR   5  -6.601   8.845   3.303
   42    H    ASN   6           H        ASN   6  -8.332   0.983   4.120
   43    HA   ASN   6           HA       ASN   6  -5.593   1.908   4.451
   44    HB2  ASN   6           HB2      ASN   6  -6.655  -0.641   5.712
   45    HB3  ASN   6           HB3      ASN   6  -5.213   0.246   6.152
   46   HD21  ASN   6          HD21      ASN   6  -7.075   2.856   7.945
   47   HD22  ASN   6          HD22      ASN   6  -5.681   2.667   6.767
   48    H    LYS   7           H        LYS   7  -6.788  -0.580   2.287
   49    HA   LYS   7           HA       LYS   7  -4.279  -2.066   2.230
   50    HB2  LYS   7           HB2      LYS   7  -6.024  -1.947  -0.304
   51    HB3  LYS   7           HB3      LYS   7  -4.941  -3.222   0.193
   52    HG2  LYS   7           HG2      LYS   7  -7.704  -2.567   1.324
   53    HG3  LYS   7           HG3      LYS   7  -7.292  -3.937   0.332
   54    HD2  LYS   7           HD2      LYS   7  -6.246  -3.507   3.209
   55    HD3  LYS   7           HD3      LYS   7  -7.690  -4.417   2.786
   56    HE2  LYS   7           HE2      LYS   7  -6.289  -6.043   1.422
   57    HE3  LYS   7           HE3      LYS   7  -4.832  -5.162   1.895
   58    HZ1  LYS   7           HZ1      LYS   7  -6.700  -6.472   3.767
   59    HZ2  LYS   7           HZ2      LYS   7  -5.187  -7.026   3.323
   60    HZ3  LYS   7           HZ3      LYS   7  -5.309  -5.651   4.197
   61    H    ASP   8           H        ASP   8  -5.211   0.830   0.416
   62    HA   ASP   8           HA       ASP   8  -2.663   0.879  -1.202
   63    HB2  ASP   8           HB2      ASP   8  -4.750   2.337  -1.685
   64    HB3  ASP   8           HB3      ASP   8  -4.216   3.300  -0.306
   65    HD2  ASP   8           HD2      ASP   8  -1.636   4.885  -1.989
   66    H    PHE   9           H        PHE   9  -3.443   1.687   2.108
   67    HA   PHE   9           HA       PHE   9  -0.784   2.610   2.838
   68    HB2  PHE   9           HB2      PHE   9  -3.286   2.193   4.415
   69    HB3  PHE   9           HB3      PHE   9  -1.806   2.732   5.114
   70    HD1  PHE   9           HD1      PHE   9  -0.920   4.990   4.688
   71    HD2  PHE   9           HD2      PHE   9  -4.579   3.701   2.920
   72    HE1  PHE   9           HE1      PHE   9  -1.490   7.404   4.074
   73    HE2  PHE   9           HE2      PHE   9  -5.118   6.114   2.289
   74    HZ   PHE   9           HZ       PHE   9  -3.565   7.882   2.900
   75    H    ILE  10           H        ILE  10  -1.406  -0.693   1.970
   76    HA   ILE  10           HA       ILE  10  -0.456  -2.065   4.195
   77    HB   ILE  10           HB       ILE  10   0.038  -2.815   1.354
   78   HG12  ILE  10          HG12      ILE  10  -2.036  -4.098   3.062
   79   HG13  ILE  10          HG13      ILE  10  -2.395  -2.573   2.329
   80   HG21  ILE  10          HG21      ILE  10   0.365  -5.194   2.164
   81   HG22  ILE  10          HG22      ILE  10   0.250  -4.623   3.846
   82   HG23  ILE  10          HG23      ILE  10   1.612  -4.130   2.818
   83   HD11  ILE  10          HD11      ILE  10  -1.536  -5.075   0.743
   84   HD12  ILE  10          HD12      ILE  10  -3.164  -4.347   0.788
   85   HD13  ILE  10          HD13      ILE  10  -1.825  -3.465   0.031
   86    H    ASN  11           H        ASN  11   0.879  -0.561   4.759
   87    HA   ASN  11           HA       ASN  11   3.025   0.580   5.365
   88    HB2  ASN  11           HB2      ASN  11   3.384  -1.799   5.725
   89    HB3  ASN  11           HB3      ASN  11   4.150  -1.887   4.161
   90   HD21  ASN  11          HD21      ASN  11   6.238  -0.261   7.340
   91   HD22  ASN  11          HD22      ASN  11   4.429  -0.567   7.406
   92    H    ASN  12           H        ASN  12   1.751   1.233   2.400
   93    HA   ASN  12           HA       ASN  12   2.186   2.972   1.091
   94    HB2  ASN  12           HB2      ASN  12   3.645   4.055   2.610
   95    HB3  ASN  12           HB3      ASN  12   4.947   3.095   2.094
   96   HD21  ASN  12          HD21      ASN  12   4.044   6.474   0.180
   97   HD22  ASN  12          HD22      ASN  12   3.240   5.588   1.607
   98    H    LYS  13           H        LYS  13   1.490   1.004   0.049
   99    HA   LYS  13           HA       LYS  13   1.361  -0.269  -1.837
  100    HB2  LYS  13           HB2      LYS  13   3.766   1.252  -2.921
  101    HB3  LYS  13           HB3      LYS  13   2.718   0.206  -3.861
  102    HG2  LYS  13           HG2      LYS  13   1.890   2.829  -2.481
  103    HG3  LYS  13           HG3      LYS  13   2.225   2.632  -4.187
  104    HD2  LYS  13           HD2      LYS  13  -0.131   1.351  -2.659
  105    HD3  LYS  13           HD3      LYS  13  -0.201   2.790  -3.661
  106    HE2  LYS  13           HE2      LYS  13   0.447   1.427  -5.709
  107    HE3  LYS  13           HE3      LYS  13   0.491  -0.036  -4.715
  108    HZ1  LYS  13           HZ1      LYS  13  -1.886   1.669  -5.124
  109    HZ2  LYS  13           HZ2      LYS  13  -1.604   0.173  -5.817
  110    HZ3  LYS  13           HZ3      LYS  13  -1.836   0.276  -4.201
  111    H    HIS  14           H        HIS  14   1.817  -1.805  -0.219
  112    HA   HIS  14           HA       HIS  14   2.687  -3.859   0.494
  113    HB2  HIS  14           HB2      HIS  14   1.975  -4.429  -1.897
  114    HB3  HIS  14           HB3      HIS  14   3.666  -4.319  -2.367
  115    HD2  HIS  14           HD2      HIS  14   4.601  -6.797  -2.473
  116    HE1  HIS  14           HE1      HIS  14   2.875  -8.384   0.965
  117    HE2  HIS  14           HE2      HIS  14   4.473  -8.977  -0.962
  118    H    LEU  15           H        LEU  15   4.089  -2.206   1.641
  119    HA   LEU  15           HA       LEU  15   6.118  -1.534   2.562
  120    HB2  LEU  15           HB2      LEU  15   7.190  -4.283   1.677
  121    HB3  LEU  15           HB3      LEU  15   7.901  -3.212   2.851
  122    HG   LEU  15           HG       LEU  15   5.813  -3.538   4.384
  123   HD11  LEU  15          HD11      LEU  15   4.149  -4.618   2.749
  124   HD12  LEU  15          HD12      LEU  15   4.585  -5.835   3.942
  125   HD13  LEU  15          HD13      LEU  15   5.305  -5.887   2.328
  126   HD21  LEU  15          HD21      LEU  15   7.630  -6.003   3.629
  127   HD22  LEU  15          HD22      LEU  15   6.774  -5.818   5.166
  128   HD23  LEU  15          HD23      LEU  15   8.080  -4.704   4.738
  129    H    ASN  16           H        ASN  16   5.660  -0.456   0.019
  130    HA   ASN  16           HA       ASN  16   6.673   0.641  -1.745
  131    HB2  ASN  16           HB2      ASN  16   7.528   1.744   0.199
  132    HB3  ASN  16           HB3      ASN  16   8.973   0.831   0.127
  133   HD21  ASN  16          HD21      ASN  16   8.623   4.137  -2.052
  134   HD22  ASN  16          HD22      ASN  16   7.449   3.274  -0.890
  135    H    GLU  17           H        GLU  17   6.342  -1.452  -2.961
  136    HA   GLU  17           HA       GLU  17   6.819  -3.359  -3.962
  137    HB2  GLU  17           HB2      GLU  17   8.861  -1.516  -5.089
  138    HB3  GLU  17           HB3      GLU  17   8.233  -2.996  -5.805
  139    HG2  GLU  17           HG2      GLU  17   5.894  -2.121  -5.748
  140    HG3  GLU  17           HG3      GLU  17   6.454  -0.641  -5.055
  141    HE2  GLU  17           HE2      GLU  17   7.717   0.723  -7.995
  142    H    HIS  18           H        HIS  18   7.397  -4.501  -1.959
  143    HA   HIS  18           HA       HIS  18   8.637  -5.901  -0.608
  144    HB2  HIS  18           HB2      HIS  18   8.388  -7.052  -2.806
  145    HB3  HIS  18           HB3      HIS  18  10.009  -6.565  -3.244
  146    HD2  HIS  18           HD2      HIS  18   9.921  -9.384  -3.423
  147    HE1  HIS  18           HE1      HIS  18  10.752 -10.019   0.610
  148    HE2  HIS  18           HE2      HIS  18  10.719 -11.236  -1.659
  149    H    ALA  19           H        ALA  19   9.528  -4.327   0.712
  150    HA   ALA  19           HA       ALA  19  12.425  -4.339   0.922
  151    HB1  ALA  19           HB1      ALA  19  11.204  -1.576   0.219
  152    HB2  ALA  19           HB2      ALA  19  12.870  -1.853   0.790
  153    HB3  ALA  19           HB3      ALA  19  12.352  -2.502  -0.777
  154    H    HIS  20           H        HIS  20  11.947  -5.192   2.917
  155    HA   HIS  20           HA       HIS  20  10.245  -3.831   4.862
  156    HB2  HIS  20           HB2      HIS  20  10.531  -6.359   4.617
  157    HB3  HIS  20           HB3      HIS  20  12.077  -6.213   5.429
  158    HD2  HIS  20           HD2      HIS  20  10.477  -7.964   6.968
  159    HE1  HIS  20           HE1      HIS  20   8.570  -4.926   9.086
  160    HE2  HIS  20           HE2      HIS  20   8.992  -7.466   9.138
  161    HXT  HIS  20           HXT      HIS  20  14.062  -3.124   6.221
  Start of MODEL   14
    1    H1   SER   1           H1       SER   1  -2.230  -6.130  10.185
    2    H2   SER   1           H2       SER   1  -1.693  -6.680   8.981
    3    H3   SER   1           H3       SER   1  -2.156  -4.976   9.338
    4    HA   SER   1           HA       SER   1  -3.956  -7.028  10.024
    5    HB2  SER   1           HB2      SER   1  -5.171  -4.951  10.456
    6    HB3  SER   1           HB3      SER   1  -3.542  -4.648  10.976
    7    HG   SER   1           HG       SER   1  -4.749  -3.905   8.498
    8    H    ASP   2           H        ASP   2  -3.067  -6.713   7.157
    9    HA   ASP   2           HA       ASP   2  -5.697  -7.446   5.940
   10    HB2  ASP   2           HB2      ASP   2  -4.230  -4.927   5.275
   11    HB3  ASP   2           HB3      ASP   2  -4.375  -5.909   3.873
   12    HD2  ASP   2           HD2      ASP   2  -7.591  -4.236   5.713
   13    H    THR   3           H        THR   3  -4.240  -9.232   6.723
   14    HA   THR   3           HA       THR   3  -2.699 -10.937   6.402
   15    HB   THR   3           HB       THR   3  -5.094 -11.532   6.264
   16    HG1  THR   3           HG1      THR   3  -3.506 -13.107   6.283
   17   HG21  THR   3          HG21      THR   3  -4.705 -11.635   3.209
   18   HG22  THR   3          HG22      THR   3  -5.743 -10.491   4.096
   19   HG23  THR   3          HG23      THR   3  -6.130 -12.228   4.119
   20    H    ARG   4           H        ARG   4  -1.214  -9.167   4.875
   21    HA   ARG   4           HA       ARG   4   0.523  -9.148   3.305
   22    HB2  ARG   4           HB2      ARG   4   0.781 -12.136   4.137
   23    HB3  ARG   4           HB3      ARG   4   1.971 -11.254   3.233
   24    HG2  ARG   4           HG2      ARG   4   2.917 -10.973   5.259
   25    HG3  ARG   4           HG3      ARG   4   1.993  -9.501   5.218
   26    HD2  ARG   4           HD2      ARG   4   0.133 -10.682   6.675
   27    HD3  ARG   4           HD3      ARG   4   1.096 -12.145   6.674
   28    HE   ARG   4           HE       ARG   4   2.723  -9.913   7.592
   29   HH11  ARG   4          HH11      ARG   4   2.174 -10.502  10.968
   30   HH12  ARG   4          HH12      ARG   4   3.169  -9.657   9.680
   31   HH21  ARG   4          HH21      ARG   4   0.543 -11.747  10.452
   32   HH22  ARG   4          HH22      ARG   4   0.086 -12.018   8.696
   33    H    TYR   5           H        TYR   5  -1.952  -9.565   2.155
   34    HA   TYR   5           HA       TYR   5  -1.238 -10.428  -0.585
   35    HB2  TYR   5           HB2      TYR   5  -2.493 -12.349   0.282
   36    HB3  TYR   5           HB3      TYR   5  -3.747 -11.274   0.827
   37    HD1  TYR   5           HD1      TYR   5  -5.521 -10.541  -0.719
   38    HD2  TYR   5           HD2      TYR   5  -2.094 -12.638  -2.261
   39    HE1  TYR   5           HE1      TYR   5  -6.641 -10.783  -2.891
   40    HE2  TYR   5           HE2      TYR   5  -3.228 -12.878  -4.429
   41    HH   TYR   5           HH       TYR   5  -6.501 -11.570  -4.964
   42    H    ASN   6           H        ASN   6  -3.862  -8.988   1.388
   43    HA   ASN   6           HA       ASN   6  -4.175  -6.786  -0.543
   44    HB2  ASN   6           HB2      ASN   6  -5.610  -6.854   2.124
   45    HB3  ASN   6           HB3      ASN   6  -5.923  -5.777   0.791
   46   HD21  ASN   6          HD21      ASN   6  -7.853  -8.213  -1.085
   47   HD22  ASN   6          HD22      ASN   6  -6.836  -6.691  -1.201
   48    H    LYS   7           H        LYS   7  -1.999  -7.123   2.220
   49    HA   LYS   7           HA       LYS   7  -1.810  -4.463   3.010
   50    HB2  LYS   7           HB2      LYS   7   0.788  -5.968   2.558
   51    HB3  LYS   7           HB3      LYS   7   0.579  -4.511   3.486
   52    HG2  LYS   7           HG2      LYS   7  -0.642  -7.217   4.242
   53    HG3  LYS   7           HG3      LYS   7   0.792  -6.495   4.949
   54    HD2  LYS   7           HD2      LYS   7  -2.085  -5.460   5.145
   55    HD3  LYS   7           HD3      LYS   7  -1.159  -6.230   6.420
   56    HE2  LYS   7           HE2      LYS   7   0.433  -4.229   6.460
   57    HE3  LYS   7           HE3      LYS   7  -0.526  -3.465   5.180
   58    HZ1  LYS   7           HZ1      LYS   7  -1.554  -4.167   7.846
   59    HZ2  LYS   7           HZ2      LYS   7  -2.425  -3.437   6.621
   60    HZ3  LYS   7           HZ3      LYS   7  -1.168  -2.637   7.294
   61    H    ASP   8           H        ASP   8  -1.124  -5.279  -0.307
   62    HA   ASP   8           HA       ASP   8   0.576  -2.984  -0.972
   63    HB2  ASP   8           HB2      ASP   8   0.142  -4.947  -2.532
   64    HB3  ASP   8           HB3      ASP   8  -1.447  -4.228  -2.810
   65    HD2  ASP   8           HD2      ASP   8   1.914  -3.703  -2.971
   66    H    PHE   9           H        PHE   9  -2.899  -3.180  -0.409
   67    HA   PHE   9           HA       PHE   9  -3.677  -0.566  -1.242
   68    HB2  PHE   9           HB2      PHE   9  -4.849  -2.471   0.744
   69    HB3  PHE   9           HB3      PHE   9  -5.563  -0.926   0.470
   70    HD1  PHE   9           HD1      PHE   9  -6.600  -0.344  -1.708
   71    HD2  PHE   9           HD2      PHE   9  -5.090  -4.270  -0.957
   72    HE1  PHE   9           HE1      PHE   9  -7.939  -1.258  -3.681
   73    HE2  PHE   9           HE2      PHE   9  -6.443  -5.155  -2.925
   74    HZ   PHE   9           HZ       PHE   9  -7.816  -3.624  -4.218
   75    H    ILE  10           H        ILE  10  -2.881  -1.750   2.245
   76    HA   ILE  10           HA       ILE  10  -2.123   0.873   3.055
   77    HB   ILE  10           HB       ILE  10  -2.405  -1.721   4.473
   78   HG12  ILE  10          HG12      ILE  10  -4.441   0.459   4.633
   79   HG13  ILE  10          HG13      ILE  10  -4.557  -0.641   3.300
   80   HG21  ILE  10          HG21      ILE  10  -2.835  -0.242   6.583
   81   HG22  ILE  10          HG22      ILE  10  -2.160   1.109   5.651
   82   HG23  ILE  10          HG23      ILE  10  -1.173  -0.318   6.058
   83   HD11  ILE  10          HD11      ILE  10  -4.700  -1.553   6.232
   84   HD12  ILE  10          HD12      ILE  10  -4.712  -2.621   4.806
   85   HD13  ILE  10          HD13      ILE  10  -6.037  -1.461   5.055
   86    H    ASN  11           H        ASN  11  -0.320  -0.543   4.733
   87    HA   ASN  11           HA       ASN  11   2.068   0.008   5.203
   88    HB2  ASN  11           HB2      ASN  11   1.382  -2.477   4.557
   89    HB3  ASN  11           HB3      ASN  11   2.425  -2.164   3.209
   90   HD21  ASN  11          HD21      ASN  11   4.030  -2.656   6.981
   91   HD22  ASN  11          HD22      ASN  11   2.235  -2.383   6.700
   92    H    ASN  12           H        ASN  12   1.234   1.477   2.314
   93    HA   ASN  12           HA       ASN  12   2.293   3.093   1.092
   94    HB2  ASN  12           HB2      ASN  12   3.518   3.831   2.990
   95    HB3  ASN  12           HB3      ASN  12   4.687   2.626   2.749
   96   HD21  ASN  12          HD21      ASN  12   5.001   6.150   0.907
   97   HD22  ASN  12          HD22      ASN  12   3.684   5.423   2.005
   98    H    LYS  13           H        LYS  13   1.472   1.154  -0.150
   99    HA   LYS  13           HA       LYS  13   1.625  -0.287  -1.927
  100    HB2  LYS  13           HB2      LYS  13   4.249   1.141  -2.575
  101    HB3  LYS  13           HB3      LYS  13   3.436   0.034  -3.657
  102    HG2  LYS  13           HG2      LYS  13   2.314   2.723  -2.687
  103    HG3  LYS  13           HG3      LYS  13   3.036   2.410  -4.248
  104    HD2  LYS  13           HD2      LYS  13   0.402   1.201  -3.202
  105    HD3  LYS  13           HD3      LYS  13   0.537   2.525  -4.331
  106    HE2  LYS  13           HE2      LYS  13   1.455  -0.380  -4.899
  107    HE3  LYS  13           HE3      LYS  13  -0.066   0.334  -5.416
  108    HZ1  LYS  13           HZ1      LYS  13   1.174   1.924  -6.737
  109    HZ2  LYS  13           HZ2      LYS  13   2.624   1.241  -6.266
  110    HZ3  LYS  13           HZ3      LYS  13   1.579   0.358  -7.159
  111    H    HIS  14           H        HIS  14   2.139  -1.527   0.392
  112    HA   HIS  14           HA       HIS  14   3.039  -3.542   1.274
  113    HB2  HIS  14           HB2      HIS  14   2.223  -4.261  -1.249
  114    HB3  HIS  14           HB3      HIS  14   3.888  -4.666  -1.416
  115    HD2  HIS  14           HD2      HIS  14   4.366  -5.731   1.704
  116    HE1  HIS  14           HE1      HIS  14   1.478  -8.557   0.704
  117    HE2  HIS  14           HE2      HIS  14   3.354  -8.085   2.403
  118    H    LEU  15           H        LEU  15   4.680  -1.854   2.041
  119    HA   LEU  15           HA       LEU  15   6.840  -1.143   2.517
  120    HB2  LEU  15           HB2      LEU  15   7.765  -3.943   1.618
  121    HB3  LEU  15           HB3      LEU  15   8.674  -2.786   2.550
  122    HG   LEU  15           HG       LEU  15   6.916  -3.019   4.478
  123   HD11  LEU  15          HD11      LEU  15   5.057  -4.318   3.209
  124   HD12  LEU  15          HD12      LEU  15   5.724  -5.360   4.461
  125   HD13  LEU  15          HD13      LEU  15   6.200  -5.592   2.774
  126   HD21  LEU  15          HD21      LEU  15   8.676  -5.474   3.586
  127   HD22  LEU  15          HD22      LEU  15   9.267  -4.069   4.484
  128   HD23  LEU  15          HD23      LEU  15   8.114  -5.185   5.239
  129    H    ASN  16           H        ASN  16   5.893  -0.260   0.018
  130    HA   ASN  16           HA       ASN  16   6.525   0.725  -1.945
  131    HB2  ASN  16           HB2      ASN  16   7.718   1.945  -0.242
  132    HB3  ASN  16           HB3      ASN  16   9.146   1.081  -0.595
  133   HD21  ASN  16          HD21      ASN  16   8.158   4.277  -2.759
  134   HD22  ASN  16          HD22      ASN  16   7.324   3.418  -1.328
  135    H    GLU  17           H        GLU  17   6.036  -1.438  -2.936
  136    HA   GLU  17           HA       GLU  17   6.385  -3.394  -3.915
  137    HB2  GLU  17           HB2      GLU  17   7.999  -1.521  -5.561
  138    HB3  GLU  17           HB3      GLU  17   7.320  -3.069  -6.052
  139    HG2  GLU  17           HG2      GLU  17   5.002  -2.315  -5.495
  140    HG3  GLU  17           HG3      GLU  17   5.609  -0.773  -5.011
  141    HE2  GLU  17           HE2      GLU  17   6.463   0.556  -6.476
  142    H    HIS  18           H        HIS  18   7.484  -4.293  -1.988
  143    HA   HIS  18           HA       HIS  18   9.114  -5.505  -0.861
  144    HB2  HIS  18           HB2      HIS  18   8.208  -6.930  -2.740
  145    HB3  HIS  18           HB3      HIS  18   9.646  -6.569  -3.668
  146    HD2  HIS  18           HD2      HIS  18   9.500  -9.379  -3.444
  147    HE1  HIS  18           HE1      HIS  18  11.375  -9.548   0.273
  148    HE2  HIS  18           HE2      HIS  18  10.724 -11.032  -1.729
  149    H    ALA  19           H        ALA  19  10.177  -3.367  -0.492
  150    HA   ALA  19           HA       ALA  19  12.068  -2.075  -0.117
  151    HB1  ALA  19           HB1      ALA  19  13.620  -4.706  -0.433
  152    HB2  ALA  19           HB2      ALA  19  12.834  -4.104   1.047
  153    HB3  ALA  19           HB3      ALA  19  14.207  -3.220   0.349
  154    H    HIS  20           H        HIS  20  11.873  -0.708  -1.910
  155    HA   HIS  20           HA       HIS  20  13.241  -1.212  -4.429
  156    HB2  HIS  20           HB2      HIS  20  11.159   0.227  -4.092
  157    HB3  HIS  20           HB3      HIS  20  12.188   1.486  -3.432
  158    HD2  HIS  20           HD2      HIS  20  10.837   2.607  -5.638
  159    HE1  HIS  20           HE1      HIS  20  13.572   1.230  -8.463
  160    HE2  HIS  20           HE2      HIS  20  11.664   2.934  -8.162
  161    HXT  HIS  20           HXT      HIS  20  16.521   0.051  -3.712
  Start of MODEL   15
    1    H1   SER   1           H1       SER   1 -11.624   0.624   8.312
    2    H2   SER   1           H2       SER   1 -11.737  -0.798   8.372
    3    H3   SER   1           H3       SER   1 -12.896   0.352   7.719
    4    HA   SER   1           HA       SER   1 -10.189  -0.336   6.665
    5    HB2  SER   1           HB2      SER   1 -12.207  -0.938   5.282
    6    HB3  SER   1           HB3      SER   1 -12.458   0.807   5.105
    7    HG   SER   1           HG       SER   1 -10.106  -0.628   4.433
    8    H    ASP   2           H        ASP   2 -10.481   1.545   8.761
    9    HA   ASP   2           HA       ASP   2  -8.978   3.790   7.549
   10    HB2  ASP   2           HB2      ASP   2 -11.670   4.306   7.777
   11    HB3  ASP   2           HB3      ASP   2 -11.305   4.519   9.467
   12    HD2  ASP   2           HD2      ASP   2  -9.943   7.667   9.043
   13    H    THR   3           H        THR   3  -8.246   1.669   9.293
   14    HA   THR   3           HA       THR   3  -7.778   2.278  11.991
   15    HB   THR   3           HB       THR   3  -7.471   0.095  11.194
   16    HG1  THR   3           HG1      THR   3  -5.007   1.113  12.122
   17   HG21  THR   3          HG21      THR   3  -5.505  -0.722   9.914
   18   HG22  THR   3          HG22      THR   3  -4.950   0.951   9.646
   19   HG23  THR   3          HG23      THR   3  -6.481   0.398   8.936
   20    H    ARG   4           H        ARG   4  -5.303   3.119   9.557
   21    HA   ARG   4           HA       ARG   4  -3.988   4.929  11.576
   22    HB2  ARG   4           HB2      ARG   4  -2.772   3.534   9.108
   23    HB3  ARG   4           HB3      ARG   4  -1.908   4.671  10.093
   24    HG2  ARG   4           HG2      ARG   4  -1.354   3.157  11.695
   25    HG3  ARG   4           HG3      ARG   4  -2.970   2.548  11.868
   26    HD2  ARG   4           HD2      ARG   4  -2.700   1.075   9.769
   27    HD3  ARG   4           HD3      ARG   4  -1.072   1.675   9.537
   28    HE   ARG   4           HE       ARG   4  -1.219   0.692  12.231
   29   HH11  ARG   4          HH11      ARG   4  -0.753  -2.248   9.505
   30   HH12  ARG   4          HH12      ARG   4  -1.390  -0.624   8.939
   31   HH21  ARG   4          HH21      ARG   4  -0.274  -2.576  11.541
   32   HH22  ARG   4          HH22      ARG   4  -0.481  -1.248  12.790
   33    H    TYR   5           H        TYR   5  -6.236   5.799  10.283
   34    HA   TYR   5           HA       TYR   5  -7.056   7.816   9.333
   35    HB2  TYR   5           HB2      TYR   5  -5.221   9.001  10.257
   36    HB3  TYR   5           HB3      TYR   5  -4.216   8.516   8.931
   37    HD1  TYR   5           HD1      TYR   5  -7.417  10.396   9.682
   38    HD2  TYR   5           HD2      TYR   5  -4.049  10.039   7.025
   39    HE1  TYR   5           HE1      TYR   5  -8.111  12.443   8.514
   40    HE2  TYR   5           HE2      TYR   5  -4.754  12.086   5.868
   41    HH   TYR   5           HH       TYR   5  -6.248  13.727   5.757
   42    H    ASN   6           H        ASN   6  -7.623   5.592   8.008
   43    HA   ASN   6           HA       ASN   6  -8.445   4.936   5.953
   44    HB2  ASN   6           HB2      ASN   6  -8.361   7.453   5.217
   45    HB3  ASN   6           HB3      ASN   6  -6.905   7.026   4.354
   46   HD21  ASN   6          HD21      ASN   6 -10.535   5.728   2.884
   47   HD22  ASN   6          HD22      ASN   6 -10.379   6.403   4.583
   48    H    LYS   7           H        LYS   7  -6.569   3.347   7.092
   49    HA   LYS   7           HA       LYS   7  -4.985   1.617   6.562
   50    HB2  LYS   7           HB2      LYS   7  -5.523   2.216   3.665
   51    HB3  LYS   7           HB3      LYS   7  -4.827   0.779   4.393
   52    HG2  LYS   7           HG2      LYS   7  -7.735   1.691   4.695
   53    HG3  LYS   7           HG3      LYS   7  -7.153   0.428   3.638
   54    HD2  LYS   7           HD2      LYS   7  -7.120   0.378   6.712
   55    HD3  LYS   7           HD3      LYS   7  -8.254  -0.465   5.687
   56    HE2  LYS   7           HE2      LYS   7  -5.223  -1.081   5.818
   57    HE3  LYS   7           HE3      LYS   7  -6.484  -1.959   6.673
   58    HZ1  LYS   7           HZ1      LYS   7  -7.438  -2.585   4.550
   59    HZ2  LYS   7           HZ2      LYS   7  -6.234  -1.768   3.726
   60    HZ3  LYS   7           HZ3      LYS   7  -5.838  -3.061   4.643
   61    H    ASP   8           H        ASP   8  -3.881   4.662   6.375
   62    HA   ASP   8           HA       ASP   8  -1.656   5.717   5.604
   63    HB2  ASP   8           HB2      ASP   8  -1.373   4.926   7.713
   64    HB3  ASP   8           HB3      ASP   8  -1.345   3.254   7.209
   65    HD2  ASP   8           HD2      ASP   8   2.074   3.178   6.792
   66    H    PHE   9           H        PHE   9  -3.071   4.752   3.511
   67    HA   PHE   9           HA       PHE   9  -2.980   4.182   1.269
   68    HB2  PHE   9           HB2      PHE   9  -1.305   5.901   1.491
   69    HB3  PHE   9           HB3      PHE   9  -0.072   4.672   1.607
   70    HD1  PHE   9           HD1      PHE   9   1.178   4.548  -0.377
   71    HD2  PHE   9           HD2      PHE   9  -3.000   5.397  -0.682
   72    HE1  PHE   9           HE1      PHE   9   1.398   4.834  -2.903
   73    HE2  PHE   9           HE2      PHE   9  -2.754   5.626  -3.211
   74    HZ   PHE   9           HZ       PHE   9  -0.567   5.340  -4.230
   75    H    ILE  10           H        ILE  10  -3.224   1.504   3.068
   76    HA   ILE  10           HA       ILE  10  -2.478  -0.564   3.348
   77    HB   ILE  10           HB       ILE  10  -2.729   0.013   0.484
   78   HG12  ILE  10          HG12      ILE  10  -4.748  -1.564   1.973
   79   HG13  ILE  10          HG13      ILE  10  -4.615   0.103   2.435
   80   HG21  ILE  10          HG21      ILE  10  -2.572  -2.833   1.659
   81   HG22  ILE  10          HG22      ILE  10  -1.493  -2.147   0.417
   82   HG23  ILE  10          HG23      ILE  10  -3.188  -2.456   0.029
   83   HD11  ILE  10          HD11      ILE  10  -5.183  -0.718  -0.436
   84   HD12  ILE  10          HD12      ILE  10  -4.967   0.949   0.181
   85   HD13  ILE  10          HD13      ILE  10  -6.334  -0.033   0.760
   86    H    ASN  11           H        ASN  11  -0.665   0.061   4.565
   87    HA   ASN  11           HA       ASN  11   1.623   0.057   5.219
   88    HB2  ASN  11           HB2      ASN  11   0.874  -2.296   4.830
   89    HB3  ASN  11           HB3      ASN  11   1.737  -2.225   3.320
   90   HD21  ASN  11          HD21      ASN  11   3.854  -2.602   6.841
   91   HD22  ASN  11          HD22      ASN  11   2.086  -2.108   6.816
   92    H    ASN  12           H        ASN  12   1.102   1.956   2.595
   93    HA   ASN  12           HA       ASN  12   2.339   3.181   1.159
   94    HB2  ASN  12           HB2      ASN  12   3.510   3.769   3.176
   95    HB3  ASN  12           HB3      ASN  12   4.638   2.529   2.911
   96   HD21  ASN  12          HD21      ASN  12   5.138   6.100   1.217
   97   HD22  ASN  12          HD22      ASN  12   3.774   5.395   2.271
   98    H    LYS  13           H        LYS  13   1.461   1.241  -0.105
   99    HA   LYS  13           HA       LYS  13   1.653  -0.213  -1.895
  100    HB2  LYS  13           HB2      LYS  13   4.331   1.170  -2.419
  101    HB3  LYS  13           HB3      LYS  13   3.543   0.089  -3.546
  102    HG2  LYS  13           HG2      LYS  13   2.446   2.783  -2.604
  103    HG3  LYS  13           HG3      LYS  13   3.224   2.472  -4.137
  104    HD2  LYS  13           HD2      LYS  13   0.524   1.314  -3.213
  105    HD3  LYS  13           HD3      LYS  13   0.735   2.636  -4.332
  106    HE2  LYS  13           HE2      LYS  13   1.607  -0.286  -4.874
  107    HE3  LYS  13           HE3      LYS  13   0.132   0.470  -5.458
  108    HZ1  LYS  13           HZ1      LYS  13   2.862   1.341  -6.173
  109    HZ2  LYS  13           HZ2      LYS  13   1.444   2.029  -6.731
  110    HZ3  LYS  13           HZ3      LYS  13   1.802   0.488  -7.143
  111    H    HIS  14           H        HIS  14   2.161  -1.428   0.471
  112    HA   HIS  14           HA       HIS  14   3.021  -3.400   1.427
  113    HB2  HIS  14           HB2      HIS  14   1.866  -4.348  -0.640
  114    HB3  HIS  14           HB3      HIS  14   3.430  -4.423  -1.435
  115    HD2  HIS  14           HD2      HIS  14   4.555  -6.793  -1.157
  116    HE1  HIS  14           HE1      HIS  14   3.074  -7.895   2.571
  117    HE2  HIS  14           HE2      HIS  14   4.575  -8.731   0.658
  118    H    LEU  15           H        LEU  15   4.687  -1.764   2.053
  119    HA   LEU  15           HA       LEU  15   6.870  -1.095   2.501
  120    HB2  LEU  15           HB2      LEU  15   7.791  -3.911   1.681
  121    HB3  LEU  15           HB3      LEU  15   8.631  -2.740   2.659
  122    HG   LEU  15           HG       LEU  15   6.621  -3.005   4.416
  123   HD11  LEU  15          HD11      LEU  15   6.405  -5.689   2.751
  124   HD12  LEU  15          HD12      LEU  15   5.699  -5.467   4.355
  125   HD13  LEU  15          HD13      LEU  15   5.092  -4.536   2.991
  126   HD21  LEU  15          HD21      LEU  15   9.035  -3.780   4.806
  127   HD22  LEU  15          HD22      LEU  15   7.930  -5.017   5.424
  128   HD23  LEU  15          HD23      LEU  15   8.759  -5.259   3.879
  129    H    ASN  16           H        ASN  16   5.937  -0.183   0.021
  130    HA   ASN  16           HA       ASN  16   6.604   0.748  -1.962
  131    HB2  ASN  16           HB2      ASN  16   7.905   1.907  -0.323
  132    HB3  ASN  16           HB3      ASN  16   9.258   0.911  -0.636
  133   HD21  ASN  16          HD21      ASN  16   8.595   4.108  -2.903
  134   HD22  ASN  16          HD22      ASN  16   7.657   3.374  -1.469
  135    H    GLU  17           H        GLU  17   5.940  -1.434  -2.866
  136    HA   GLU  17           HA       GLU  17   6.162  -3.485  -3.738
  137    HB2  GLU  17           HB2      GLU  17   7.639  -1.684  -5.586
  138    HB3  GLU  17           HB3      GLU  17   6.920  -3.241  -5.976
  139    HG2  GLU  17           HG2      GLU  17   4.656  -2.455  -5.248
  140    HG3  GLU  17           HG3      GLU  17   5.308  -0.903  -4.856
  141    HE2  GLU  17           HE2      GLU  17   5.462   0.301  -8.101
  142    H    HIS  18           H        HIS  18   7.402  -4.396  -1.920
  143    HA   HIS  18           HA       HIS  18   9.094  -5.603  -0.902
  144    HB2  HIS  18           HB2      HIS  18   8.226  -7.002  -2.780
  145    HB3  HIS  18           HB3      HIS  18   9.590  -6.526  -3.764
  146    HD2  HIS  18           HD2      HIS  18   9.621  -9.350  -3.623
  147    HE1  HIS  18           HE1      HIS  18  11.745  -9.495  -0.041
  148    HE2  HIS  18           HE2      HIS  18  11.058 -10.965  -2.041
  149    H    ALA  19           H        ALA  19  10.223  -3.706  -0.159
  150    HA   ALA  19           HA       ALA  19  13.023  -3.497  -1.144
  151    HB1  ALA  19           HB1      ALA  19  11.815  -1.707  -2.391
  152    HB2  ALA  19           HB2      ALA  19  11.196  -1.045  -0.856
  153    HB3  ALA  19           HB3      ALA  19  12.940  -1.023  -1.204
  154    H    HIS  20           H        HIS  20  12.633  -1.244   0.838
  155    HA   HIS  20           HA       HIS  20  13.848  -2.536   3.135
  156    HB2  HIS  20           HB2      HIS  20  14.182  -0.101   2.409
  157    HB3  HIS  20           HB3      HIS  20  12.658   0.291   3.182
  158    HD2  HIS  20           HD2      HIS  20  14.631   1.904   4.391
  159    HE1  HIS  20           HE1      HIS  20  15.795  -0.981   7.162
  160    HE2  HIS  20           HE2      HIS  20  15.962   1.544   6.685
  161    HXT  HIS  20           HXT      HIS  20  11.064  -3.513   5.171
  Start of MODEL   16
    1    H1   SER   1           H1       SER   1 -11.206   3.903  -1.999
    2    H2   SER   1           H2       SER   1 -10.976   5.185  -2.583
    3    H3   SER   1           H3       SER   1 -12.122   3.952  -3.094
    4    HA   SER   1           HA       SER   1 -12.163   5.582  -0.594
    5    HB2  SER   1           HB2      SER   1 -14.015   5.896  -2.281
    6    HB3  SER   1           HB3      SER   1 -14.493   4.235  -1.886
    7    HG   SER   1           HG       SER   1 -14.672   4.893   0.293
    8    H    ASP   2           H        ASP   2 -10.573   3.223  -0.772
    9    HA   ASP   2           HA       ASP   2 -11.228   1.951   1.714
   10    HB2  ASP   2           HB2      ASP   2 -12.859   0.628   0.001
   11    HB3  ASP   2           HB3      ASP   2 -11.412  -0.117  -0.604
   12    HD2  ASP   2           HD2      ASP   2 -13.158  -1.557   2.589
   13    H    THR   3           H        THR   3  -9.052   3.083   1.674
   14    HA   THR   3           HA       THR   3  -6.908   2.270   0.411
   15    HB   THR   3           HB       THR   3  -6.622   3.024   3.265
   16    HG1  THR   3           HG1      THR   3  -8.432   4.179   2.592
   17   HG21  THR   3          HG21      THR   3  -4.664   3.034   1.619
   18   HG22  THR   3          HG22      THR   3  -5.022   4.679   2.248
   19   HG23  THR   3          HG23      THR   3  -5.572   4.193   0.614
   20    H    ARG   4           H        ARG   4  -8.262   0.101   2.808
   21    HA   ARG   4           HA       ARG   4  -5.822  -1.309   3.451
   22    HB2  ARG   4           HB2      ARG   4  -8.646  -2.621   3.366
   23    HB3  ARG   4           HB3      ARG   4  -7.293  -3.183   4.305
   24    HG2  ARG   4           HG2      ARG   4  -9.018  -0.690   4.779
   25    HG3  ARG   4           HG3      ARG   4  -9.022  -2.151   5.712
   26    HD2  ARG   4           HD2      ARG   4  -6.654  -1.670   6.592
   27    HD3  ARG   4           HD3      ARG   4  -6.507  -0.275   5.565
   28    HE   ARG   4           HE       ARG   4  -8.049  -0.501   8.075
   29   HH11  ARG   4          HH11      ARG   4  -8.308   2.955   6.004
   30   HH12  ARG   4          HH12      ARG   4  -7.631   1.476   5.154
   31   HH21  ARG   4          HH21      ARG   4  -8.806   1.295   8.980
   32   HH22  ARG   4          HH22      ARG   4  -8.927   2.857   8.023
   33    H    TYR   5           H        TYR   5  -8.426  -2.226   1.169
   34    HA   TYR   5           HA       TYR   5  -6.974  -4.286  -0.194
   35    HB2  TYR   5           HB2      TYR   5  -9.134  -2.619  -1.443
   36    HB3  TYR   5           HB3      TYR   5  -8.553  -4.142  -1.986
   37    HD1  TYR   5           HD1      TYR   5 -11.338  -2.846  -0.535
   38    HD2  TYR   5           HD2      TYR   5  -8.564  -6.074   0.116
   39    HE1  TYR   5           HE1      TYR   5 -13.056  -4.081   0.704
   40    HE2  TYR   5           HE2      TYR   5 -10.296  -7.301   1.349
   41    HH   TYR   5           HH       TYR   5 -12.389  -7.300   2.089
   42    H    ASN   6           H        ASN   6  -6.846  -0.805  -0.655
   43    HA   ASN   6           HA       ASN   6  -5.651  -0.553  -3.250
   44    HB2  ASN   6           HB2      ASN   6  -6.646   1.243  -1.469
   45    HB3  ASN   6           HB3      ASN   6  -5.026   1.332  -0.876
   46   HD21  ASN   6          HD21      ASN   6  -5.927   3.065  -4.516
   47   HD22  ASN   6          HD22      ASN   6  -7.046   1.832  -3.747
   48    H    LYS   7           H        LYS   7  -4.124  -1.690  -0.350
   49    HA   LYS   7           HA       LYS   7  -1.938  -2.096   0.387
   50    HB2  LYS   7           HB2      LYS   7  -0.824  -1.600  -2.395
   51    HB3  LYS   7           HB3      LYS   7  -0.187  -2.608  -1.103
   52    HG2  LYS   7           HG2      LYS   7  -2.705  -3.199  -2.773
   53    HG3  LYS   7           HG3      LYS   7  -1.131  -3.909  -3.044
   54    HD2  LYS   7           HD2      LYS   7  -2.841  -4.310  -0.519
   55    HD3  LYS   7           HD3      LYS   7  -2.830  -5.401  -1.873
   56    HE2  LYS   7           HE2      LYS   7  -0.306  -4.810  -0.171
   57    HE3  LYS   7           HE3      LYS   7  -1.426  -6.133   0.136
   58    HZ1  LYS   7           HZ1      LYS   7   0.423  -6.862  -1.170
   59    HZ2  LYS   7           HZ2      LYS   7  -0.971  -6.994  -2.081
   60    HZ3  LYS   7           HZ3      LYS   7   0.074  -5.777  -2.392
   61    H    ASP   8           H        ASP   8  -2.739   0.989  -0.594
   62    HA   ASP   8           HA       ASP   8  -0.147   2.391  -0.152
   63    HB2  ASP   8           HB2      ASP   8  -1.936   3.407  -1.529
   64    HB3  ASP   8           HB3      ASP   8  -2.932   3.504  -0.078
   65    HD2  ASP   8           HD2      ASP   8  -2.552   4.982   1.326
   66    H    PHE   9           H        PHE   9  -2.984   1.454   1.739
   67    HA   PHE   9           HA       PHE   9  -2.106   2.506   4.248
   68    HB2  PHE   9           HB2      PHE   9  -4.504   1.906   3.740
   69    HB3  PHE   9           HB3      PHE   9  -4.052   0.244   3.987
   70    HD1  PHE   9           HD1      PHE   9  -3.580  -0.600   6.268
   71    HD2  PHE   9           HD2      PHE   9  -4.611   3.491   5.608
   72    HE1  PHE   9           HE1      PHE   9  -4.075  -0.310   8.755
   73    HE2  PHE   9           HE2      PHE   9  -5.101   3.755   8.101
   74    HZ   PHE   9           HZ       PHE   9  -4.819   1.850   9.584
   75    H    ILE  10           H        ILE  10  -1.920  -0.892   2.894
   76    HA   ILE  10           HA       ILE  10  -0.230  -2.021   4.820
   77    HB   ILE  10           HB       ILE  10  -0.766  -2.893   2.043
   78   HG12  ILE  10          HG12      ILE  10  -2.002  -4.052   4.513
   79   HG13  ILE  10          HG13      ILE  10  -2.748  -2.647   3.777
   80   HG21  ILE  10          HG21      ILE  10   1.284  -4.100   2.826
   81   HG22  ILE  10          HG22      ILE  10  -0.079  -5.218   2.754
   82   HG23  ILE  10          HG23      ILE  10   0.451  -4.565   4.324
   83   HD11  ILE  10          HD11      ILE  10  -2.364  -5.319   2.325
   84   HD12  ILE  10          HD12      ILE  10  -3.888  -4.619   2.951
   85   HD13  ILE  10          HD13      ILE  10  -3.022  -3.815   1.621
   86    H    ASN  11           H        ASN  11   1.014  -0.513   5.061
   87    HA   ASN  11           HA       ASN  11   3.209   0.551   5.431
   88    HB2  ASN  11           HB2      ASN  11   3.514  -1.867   5.695
   89    HB3  ASN  11           HB3      ASN  11   4.194  -1.887   4.092
   90   HD21  ASN  11          HD21      ASN  11   6.406  -0.419   7.270
   91   HD22  ASN  11          HD22      ASN  11   4.610  -0.779   7.396
   92    H    ASN  12           H        ASN  12   1.734   1.463   2.736
   93    HA   ASN  12           HA       ASN  12   2.153   2.986   1.207
   94    HB2  ASN  12           HB2      ASN  12   3.662   4.069   2.697
   95    HB3  ASN  12           HB3      ASN  12   4.947   3.117   2.132
   96   HD21  ASN  12          HD21      ASN  12   3.955   6.497   0.264
   97   HD22  ASN  12          HD22      ASN  12   3.206   5.600   1.715
   98    H    LYS  13           H        LYS  13   1.444   0.901   0.258
   99    HA   LYS  13           HA       LYS  13   1.269  -0.318  -1.660
  100    HB2  LYS  13           HB2      LYS  13   3.575   1.296  -2.811
  101    HB3  LYS  13           HB3      LYS  13   2.568   0.188  -3.726
  102    HG2  LYS  13           HG2      LYS  13   1.563   2.721  -2.290
  103    HG3  LYS  13           HG3      LYS  13   1.953   2.629  -3.991
  104    HD2  LYS  13           HD2      LYS  13  -0.268   1.006  -2.608
  105    HD3  LYS  13           HD3      LYS  13  -0.531   2.525  -3.415
  106    HE2  LYS  13           HE2      LYS  13   0.458  -0.065  -4.806
  107    HE3  LYS  13           HE3      LYS  13  -1.209   0.496  -4.767
  108    HZ1  LYS  13           HZ1      LYS  13  -0.135   1.121  -6.797
  109    HZ2  LYS  13           HZ2      LYS  13   1.032   2.001  -5.988
  110    HZ3  LYS  13           HZ3      LYS  13  -0.522   2.503  -5.942
  111    H    HIS  14           H        HIS  14   1.754  -1.881  -0.128
  112    HA   HIS  14           HA       HIS  14   2.702  -3.906   0.570
  113    HB2  HIS  14           HB2      HIS  14   1.970  -4.426  -1.836
  114    HB3  HIS  14           HB3      HIS  14   3.656  -4.287  -2.313
  115    HD2  HIS  14           HD2      HIS  14   4.107  -6.895  -2.784
  116    HE1  HIS  14           HE1      HIS  14   3.062  -8.437   0.938
  117    HE2  HIS  14           HE2      HIS  14   4.093  -9.111  -1.321
  118    H    LEU  15           H        LEU  15   4.109  -2.196   1.699
  119    HA   LEU  15           HA       LEU  15   6.155  -1.520   2.573
  120    HB2  LEU  15           HB2      LEU  15   7.225  -4.254   1.653
  121    HB3  LEU  15           HB3      LEU  15   7.962  -3.180   2.808
  122    HG   LEU  15           HG       LEU  15   5.918  -3.530   4.396
  123   HD11  LEU  15          HD11      LEU  15   4.700  -5.838   3.981
  124   HD12  LEU  15          HD12      LEU  15   5.370  -5.875   2.347
  125   HD13  LEU  15          HD13      LEU  15   4.215  -4.619   2.809
  126   HD21  LEU  15          HD21      LEU  15   6.922  -5.801   5.142
  127   HD22  LEU  15          HD22      LEU  15   8.213  -4.684   4.670
  128   HD23  LEU  15          HD23      LEU  15   7.722  -5.982   3.575
  129    H    ASN  16           H        ASN  16   5.617  -0.432   0.060
  130    HA   ASN  16           HA       ASN  16   6.569   0.674  -1.739
  131    HB2  ASN  16           HB2      ASN  16   7.446   1.792   0.198
  132    HB3  ASN  16           HB3      ASN  16   8.903   0.906   0.081
  133   HD21  ASN  16          HD21      ASN  16   8.438   4.220  -2.061
  134   HD22  ASN  16          HD22      ASN  16   7.302   3.320  -0.887
  135    H    GLU  17           H        GLU  17   6.278  -1.452  -2.937
  136    HA   GLU  17           HA       GLU  17   6.786  -3.327  -3.952
  137    HB2  GLU  17           HB2      GLU  17   8.854  -1.500  -5.054
  138    HB3  GLU  17           HB3      GLU  17   8.221  -2.980  -5.766
  139    HG2  GLU  17           HG2      GLU  17   5.885  -2.079  -5.741
  140    HG3  GLU  17           HG3      GLU  17   6.462  -0.605  -5.054
  141    HE2  GLU  17           HE2      GLU  17   6.462  -2.597  -7.764
  142    H    HIS  18           H        HIS  18   7.308  -4.499  -1.972
  143    HA   HIS  18           HA       HIS  18   8.459  -5.937  -0.630
  144    HB2  HIS  18           HB2      HIS  18   8.411  -7.003  -2.863
  145    HB3  HIS  18           HB3      HIS  18  10.048  -6.464  -3.168
  146    HD2  HIS  18           HD2      HIS  18  10.042  -9.275  -3.456
  147    HE1  HIS  18           HE1      HIS  18  10.631 -10.042   0.597
  148    HE2  HIS  18           HE2      HIS  18  10.781 -11.172  -1.713
  149    H    ALA  19           H        ALA  19   9.279  -4.701   0.928
  150    HA   ALA  19           HA       ALA  19  10.868  -4.052   2.464
  151    HB1  ALA  19           HB1      ALA  19  13.244  -4.640   2.362
  152    HB2  ALA  19           HB2      ALA  19  13.111  -5.107   0.652
  153    HB3  ALA  19           HB3      ALA  19  12.237  -6.028   1.900
  154    H    HIS  20           H        HIS  20  10.669  -1.942   2.627
  155    HA   HIS  20           HA       HIS  20  11.535   0.014   0.672
  156    HB2  HIS  20           HB2      HIS  20   9.620   0.250   2.346
  157    HB3  HIS  20           HB3      HIS  20  10.800   0.563   3.603
  158    HD2  HIS  20           HD2      HIS  20   9.052   2.788   3.492
  159    HE1  HIS  20           HE1      HIS  20  11.174   4.735   0.485
  160    HE2  HIS  20           HE2      HIS  20   9.375   5.150   2.278
  161    HXT  HIS  20           HXT      HIS  20  14.943   0.602   1.634
  Start of MODEL   17
    1    H1   SER   1           H1       SER   1   1.235   9.801   5.787
    2    H2   SER   1           H2       SER   1   1.374   8.524   6.411
    3    H3   SER   1           H3       SER   1   0.345   8.964   5.049
    4    HA   SER   1           HA       SER   1   0.086   9.873   7.881
    5    HB2  SER   1           HB2      SER   1   1.304  11.455   6.243
    6    HB3  SER   1           HB3      SER   1  -0.290  11.655   5.507
    7    HG   SER   1           HG       SER   1   0.346  12.084   8.235
    8    H    ASP   2           H        ASP   2  -1.434   7.720   6.949
    9    HA   ASP   2           HA       ASP   2  -4.171   8.835   7.193
   10    HB2  ASP   2           HB2      ASP   2  -3.045   7.268   4.782
   11    HB3  ASP   2           HB3      ASP   2  -4.601   6.826   5.312
   12    HD2  ASP   2           HD2      ASP   2  -2.721   9.005   3.788
   13    H    THR   3           H        THR   3  -2.913   7.574   9.383
   14    HA   THR   3           HA       THR   3  -2.324   5.407  10.297
   15    HB   THR   3           HB       THR   3  -3.113   7.602  11.267
   16    HG1  THR   3           HG1      THR   3  -2.630   5.848  12.542
   17   HG21  THR   3          HG21      THR   3  -5.956   6.379  11.222
   18   HG22  THR   3          HG22      THR   3  -5.420   7.750  10.238
   19   HG23  THR   3          HG23      THR   3  -5.454   7.895  12.011
   20    H    ARG   4           H        ARG   4  -4.682   4.770  11.571
   21    HA   ARG   4           HA       ARG   4  -5.044   1.987  10.612
   22    HB2  ARG   4           HB2      ARG   4  -6.366   3.437  13.024
   23    HB3  ARG   4           HB3      ARG   4  -6.699   1.781  12.610
   24    HG2  ARG   4           HG2      ARG   4  -5.160   1.506  14.248
   25    HG3  ARG   4           HG3      ARG   4  -4.198   1.243  12.813
   26    HD2  ARG   4           HD2      ARG   4  -3.166   3.589  13.045
   27    HD3  ARG   4           HD3      ARG   4  -4.242   3.969  14.380
   28    HE   ARG   4           HE       ARG   4  -2.829   1.545  15.041
   29   HH11  ARG   4          HH11      ARG   4  -1.139   1.553  16.371
   30   HH12  ARG   4          HH12      ARG   4  -0.186   3.090  16.679
   31   HH21  ARG   4          HH21      ARG   4  -0.713   4.912  15.740
   32   HH22  ARG   4          HH22      ARG   4  -2.140   4.998  14.591
   33    H    TYR   5           H        TYR   5  -7.237   4.709  11.061
   34    HA   TYR   5           HA       TYR   5  -9.626   3.440   9.994
   35    HB2  TYR   5           HB2      TYR   5  -9.841   5.385  11.504
   36    HB3  TYR   5           HB3      TYR   5  -9.218   6.396  10.219
   37    HD1  TYR   5           HD1      TYR   5 -10.738   7.257   8.511
   38    HD2  TYR   5           HD2      TYR   5 -12.080   4.138  11.155
   39    HE1  TYR   5           HE1      TYR   5 -13.034   7.544   7.693
   40    HE2  TYR   5           HE2      TYR   5 -14.376   4.439  10.331
   41    HH   TYR   5           HH       TYR   5 -15.145   6.868   7.835
   42    H    ASN   6           H        ASN   6  -7.281   5.593   8.385
   43    HA   ASN   6           HA       ASN   6  -8.609   5.042   5.764
   44    HB2  ASN   6           HB2      ASN   6  -6.619   7.267   6.348
   45    HB3  ASN   6           HB3      ASN   6  -7.283   6.929   4.778
   46   HD21  ASN   6          HD21      ASN   6 -10.512   8.413   5.554
   47   HD22  ASN   6          HD22      ASN   6  -9.672   7.147   4.526
   48    H    LYS   7           H        LYS   7  -6.461   3.172   7.221
   49    HA   LYS   7           HA       LYS   7  -4.913   1.605   6.448
   50    HB2  LYS   7           HB2      LYS   7  -5.463   2.363   3.605
   51    HB3  LYS   7           HB3      LYS   7  -4.865   0.858   4.297
   52    HG2  LYS   7           HG2      LYS   7  -7.709   1.952   4.477
   53    HG3  LYS   7           HG3      LYS   7  -7.155   0.574   3.565
   54    HD2  LYS   7           HD2      LYS   7  -7.597  -0.819   5.285
   55    HD3  LYS   7           HD3      LYS   7  -6.407  -0.026   6.303
   56    HE2  LYS   7           HE2      LYS   7  -8.127   1.634   7.076
   57    HE3  LYS   7           HE3      LYS   7  -9.341   0.898   6.025
   58    HZ1  LYS   7           HZ1      LYS   7  -9.075  -1.158   7.273
   59    HZ2  LYS   7           HZ2      LYS   7  -9.483   0.103   8.292
   60    HZ3  LYS   7           HZ3      LYS   7  -7.942  -0.443   8.272
   61    H    ASP   8           H        ASP   8  -3.860   4.707   6.335
   62    HA   ASP   8           HA       ASP   8  -1.600   5.747   5.634
   63    HB2  ASP   8           HB2      ASP   8  -1.394   4.893   7.739
   64    HB3  ASP   8           HB3      ASP   8  -1.345   3.244   7.184
   65    HD2  ASP   8           HD2      ASP   8   0.483   2.458   6.494
   66    H    PHE   9           H        PHE   9  -2.988   4.857   3.491
   67    HA   PHE   9           HA       PHE   9  -2.846   4.338   1.235
   68    HB2  PHE   9           HB2      PHE   9  -1.157   6.026   1.539
   69    HB3  PHE   9           HB3      PHE   9   0.056   4.778   1.663
   70    HD1  PHE   9           HD1      PHE   9  -2.800   5.543  -0.708
   71    HD2  PHE   9           HD2      PHE   9   1.376   4.740  -0.272
   72    HE1  PHE   9           HE1      PHE   9  -2.467   5.832  -3.218
   73    HE2  PHE   9           HE2      PHE   9   1.682   5.084  -2.782
   74    HZ   PHE   9           HZ       PHE   9  -0.243   5.597  -4.165
   75    H    ILE  10           H        ILE  10  -3.160   1.631   2.978
   76    HA   ILE  10           HA       ILE  10  -2.461  -0.452   3.234
   77    HB   ILE  10           HB       ILE  10  -2.654   0.179   0.376
   78   HG12  ILE  10          HG12      ILE  10  -4.734  -1.374   1.806
   79   HG13  ILE  10          HG13      ILE  10  -4.570   0.283   2.301
   80   HG21  ILE  10          HG21      ILE  10  -3.162  -2.271  -0.125
   81   HG22  ILE  10          HG22      ILE  10  -2.583  -2.687   1.508
   82   HG23  ILE  10          HG23      ILE  10  -1.468  -2.009   0.296
   83   HD11  ILE  10          HD11      ILE  10  -5.110  -0.481  -0.595
   84   HD12  ILE  10          HD12      ILE  10  -6.265   0.213   0.593
   85   HD13  ILE  10          HD13      ILE  10  -4.867   1.172   0.053
   86    H    ASN  11           H        ASN  11  -0.647   0.122   4.481
   87    HA   ASN  11           HA       ASN  11   1.631   0.068   5.164
   88    HB2  ASN  11           HB2      ASN  11   0.842  -2.268   4.715
   89    HB3  ASN  11           HB3      ASN  11   1.738  -2.181   3.227
   90   HD21  ASN  11          HD21      ASN  11   3.769  -2.676   6.785
   91   HD22  ASN  11          HD22      ASN  11   2.003  -2.173   6.730
   92    H    ASN  12           H        ASN  12   1.185   2.035   2.582
   93    HA   ASN  12           HA       ASN  12   2.459   3.250   1.177
   94    HB2  ASN  12           HB2      ASN  12   3.620   3.768   3.220
   95    HB3  ASN  12           HB3      ASN  12   4.731   2.515   2.931
   96   HD21  ASN  12          HD21      ASN  12   5.302   6.119   1.333
   97   HD22  ASN  12          HD22      ASN  12   3.918   5.413   2.359
   98    H    LYS  13           H        LYS  13   1.559   1.335  -0.118
   99    HA   LYS  13           HA       LYS  13   1.731  -0.081  -1.938
  100    HB2  LYS  13           HB2      LYS  13   4.421   1.277  -2.452
  101    HB3  LYS  13           HB3      LYS  13   3.607   0.235  -3.596
  102    HG2  LYS  13           HG2      LYS  13   2.565   2.926  -2.577
  103    HG3  LYS  13           HG3      LYS  13   3.324   2.644  -4.126
  104    HD2  LYS  13           HD2      LYS  13   0.608   1.479  -3.231
  105    HD3  LYS  13           HD3      LYS  13   0.844   2.878  -4.263
  106    HE2  LYS  13           HE2      LYS  13   1.983   1.422  -6.016
  107    HE3  LYS  13           HE3      LYS  13   1.704  -0.001  -5.003
  108    HZ1  LYS  13           HZ1      LYS  13  -0.665   0.431  -5.154
  109    HZ2  LYS  13           HZ2      LYS  13   0.004   0.276  -6.677
  110    HZ3  LYS  13           HZ3      LYS  13  -0.398   1.763  -6.128
  111    H    HIS  14           H        HIS  14   2.170  -1.376   0.353
  112    HA   HIS  14           HA       HIS  14   3.002  -3.375   1.282
  113    HB2  HIS  14           HB2      HIS  14   1.900  -4.250  -0.847
  114    HB3  HIS  14           HB3      HIS  14   3.487  -4.313  -1.597
  115    HD2  HIS  14           HD2      HIS  14   4.555  -6.715  -1.377
  116    HE1  HIS  14           HE1      HIS  14   2.998  -7.898   2.294
  117    HE2  HIS  14           HE2      HIS  14   4.517  -8.704   0.381
  118    H    LEU  15           H        LEU  15   4.666  -1.771   2.002
  119    HA   LEU  15           HA       LEU  15   6.842  -1.134   2.522
  120    HB2  LEU  15           HB2      LEU  15   7.750  -3.943   1.660
  121    HB3  LEU  15           HB3      LEU  15   8.585  -2.809   2.684
  122    HG   LEU  15           HG       LEU  15   6.551  -3.081   4.398
  123   HD11  LEU  15          HD11      LEU  15   5.563  -5.516   4.252
  124   HD12  LEU  15          HD12      LEU  15   6.281  -5.708   2.649
  125   HD13  LEU  15          HD13      LEU  15   4.995  -4.528   2.911
  126   HD21  LEU  15          HD21      LEU  15   8.628  -5.382   3.819
  127   HD22  LEU  15          HD22      LEU  15   7.789  -5.158   5.361
  128   HD23  LEU  15          HD23      LEU  15   8.937  -3.938   4.792
  129    H    ASN  16           H        ASN  16   5.989  -0.177   0.026
  130    HA   ASN  16           HA       ASN  16   6.718   0.772  -1.931
  131    HB2  ASN  16           HB2      ASN  16   7.967   1.909  -0.239
  132    HB3  ASN  16           HB3      ASN  16   9.329   0.917  -0.517
  133   HD21  ASN  16          HD21      ASN  16   8.737   4.143  -2.769
  134   HD22  ASN  16          HD22      ASN  16   7.759   3.394  -1.371
  135    H    GLU  17           H        GLU  17   6.083  -1.397  -2.890
  136    HA   GLU  17           HA       GLU  17   6.327  -3.435  -3.778
  137    HB2  GLU  17           HB2      GLU  17   7.897  -1.623  -5.539
  138    HB3  GLU  17           HB3      GLU  17   7.187  -3.171  -5.977
  139    HG2  GLU  17           HG2      GLU  17   4.894  -2.375  -5.339
  140    HG3  GLU  17           HG3      GLU  17   5.547  -0.835  -4.910
  141    HE2  GLU  17           HE2      GLU  17   4.934  -2.994  -7.417
  142    H    HIS  18           H        HIS  18   7.492  -4.379  -1.920
  143    HA   HIS  18           HA       HIS  18   9.140  -5.606  -0.851
  144    HB2  HIS  18           HB2      HIS  18   8.330  -6.980  -2.774
  145    HB3  HIS  18           HB3      HIS  18   9.734  -6.504  -3.703
  146    HD2  HIS  18           HD2      HIS  18   9.740  -9.329  -3.588
  147    HE1  HIS  18           HE1      HIS  18  11.732  -9.523   0.066
  148    HE2  HIS  18           HE2      HIS  18  11.109 -10.968  -1.972
  149    H    ALA  19           H        ALA  19  10.265  -3.741  -0.040
  150    HA   ALA  19           HA       ALA  19  13.096  -3.536  -0.931
  151    HB1  ALA  19           HB1      ALA  19  11.949  -1.725  -2.206
  152    HB2  ALA  19           HB2      ALA  19  13.037  -1.061  -0.974
  153    HB3  ALA  19           HB3      ALA  19  11.280  -1.070  -0.689
  154    H    HIS  20           H        HIS  20  12.647  -1.296   1.055
  155    HA   HIS  20           HA       HIS  20  13.775  -2.607   3.382
  156    HB2  HIS  20           HB2      HIS  20  14.132  -0.164   2.693
  157    HB3  HIS  20           HB3      HIS  20  12.583   0.221   3.412
  158    HD2  HIS  20           HD2      HIS  20  14.506   1.824   4.706
  159    HE1  HIS  20           HE1      HIS  20  15.586  -1.085   7.484
  160    HE2  HIS  20           HE2      HIS  20  15.761   1.446   7.039
  161    HXT  HIS  20           HXT      HIS  20  10.926  -3.597   5.320
  Start of MODEL   18
    1    H1   SER   1           H1       SER   1  -5.904  -0.104   7.892
    2    H2   SER   1           H2       SER   1  -6.163   1.300   7.929
    3    H3   SER   1           H3       SER   1  -5.907   0.202   9.287
    4    HA   SER   1           HA       SER   1  -3.657   0.060   8.958
    5    HB2  SER   1           HB2      SER   1  -4.425  -1.778   7.901
    6    HB3  SER   1           HB3      SER   1  -5.078  -0.859   6.555
    7    HG   SER   1           HG       SER   1  -2.890  -0.436   5.920
    8    H    ASP   2           H        ASP   2  -3.862   2.397   9.260
    9    HA   ASP   2           HA       ASP   2  -1.735   3.648   7.604
   10    HB2  ASP   2           HB2      ASP   2  -4.192   4.242   6.617
   11    HB3  ASP   2           HB3      ASP   2  -4.446   5.118   8.100
   12    HD2  ASP   2           HD2      ASP   2  -2.984   7.978   6.953
   13    H    THR   3           H        THR   3  -1.771   2.860  10.353
   14    HA   THR   3           HA       THR   3  -2.084   4.726  12.395
   15    HB   THR   3           HB       THR   3  -1.559   2.433  12.781
   16    HG1  THR   3           HG1      THR   3   0.286   4.203  13.974
   17   HG21  THR   3          HG21      THR   3   0.392   2.134  11.122
   18   HG22  THR   3          HG22      THR   3   0.626   1.429  12.743
   19   HG23  THR   3          HG23      THR   3   1.431   2.956  12.306
   20    H    ARG   4           H        ARG   4   1.263   4.479  11.277
   21    HA   ARG   4           HA       ARG   4   1.760   7.252  12.057
   22    HB2  ARG   4           HB2      ARG   4   3.677   5.522  10.352
   23    HB3  ARG   4           HB3      ARG   4   4.120   6.928  11.267
   24    HG2  ARG   4           HG2      ARG   4   3.410   4.135  12.309
   25    HG3  ARG   4           HG3      ARG   4   4.954   4.918  12.310
   26    HD2  ARG   4           HD2      ARG   4   3.991   6.685  14.031
   27    HD3  ARG   4           HD3      ARG   4   2.530   5.742  14.130
   28    HE   ARG   4           HE       ARG   4   5.232   5.063  15.182
   29   HH11  ARG   4          HH11      ARG   4   2.240   2.435  15.800
   30   HH12  ARG   4          HH12      ARG   4   1.979   3.781  14.582
   31   HH21  ARG   4          HH21      ARG   4   5.430   3.455  16.586
   32   HH22  ARG   4          HH22      ARG   4   4.061   2.265  16.856
   33    H    TYR   5           H        TYR   5   2.142   5.666   8.941
   34    HA   TYR   5           HA       TYR   5   0.853   7.749   7.388
   35    HB2  TYR   5           HB2      TYR   5   3.010   8.912   7.793
   36    HB3  TYR   5           HB3      TYR   5   3.817   7.615   6.964
   37    HD1  TYR   5           HD1      TYR   5   1.325  10.386   6.515
   38    HD2  TYR   5           HD2      TYR   5   3.848   7.552   4.482
   39    HE1  TYR   5           HE1      TYR   5   0.903  11.527   4.380
   40    HE2  TYR   5           HE2      TYR   5   3.410   8.697   2.355
   41    HH   TYR   5           HH       TYR   5   1.303  11.570   2.196
   42    H    ASN   6           H        ASN   6  -0.143   5.296   7.337
   43    HA   ASN   6           HA       ASN   6  -0.704   3.549   5.856
   44    HB2  ASN   6           HB2      ASN   6   1.567   4.334   3.993
   45    HB3  ASN   6           HB3      ASN   6   0.454   3.036   3.730
   46   HD21  ASN   6          HD21      ASN   6  -2.169   5.203   2.561
   47   HD22  ASN   6          HD22      ASN   6  -1.748   3.548   3.238
   48    H    LYS   7           H        LYS   7   0.403   2.858   8.222
   49    HA   LYS   7           HA       LYS   7   1.682   1.188   9.354
   50    HB2  LYS   7           HB2      LYS   7   1.495  -0.361   6.827
   51    HB3  LYS   7           HB3      LYS   7   1.879  -0.975   8.417
   52    HG2  LYS   7           HG2      LYS   7  -0.828   0.137   7.556
   53    HG3  LYS   7           HG3      LYS   7  -0.404  -1.551   7.718
   54    HD2  LYS   7           HD2      LYS   7  -0.623   0.495  10.003
   55    HD3  LYS   7           HD3      LYS   7  -1.770  -0.769   9.605
   56    HE2  LYS   7           HE2      LYS   7  -0.029  -2.548  10.161
   57    HE3  LYS   7           HE3      LYS   7   1.107  -1.272  10.626
   58    HZ1  LYS   7           HZ1      LYS   7  -0.067  -2.134  12.513
   59    HZ2  LYS   7           HZ2      LYS   7  -0.498  -0.535  12.293
   60    HZ3  LYS   7           HZ3      LYS   7  -1.550  -1.713  11.869
   61    H    ASP   8           H        ASP   8   3.173   3.325   8.392
   62    HA   ASP   8           HA       ASP   8   5.574   3.933   8.001
   63    HB2  ASP   8           HB2      ASP   8   5.186   4.011  10.263
   64    HB3  ASP   8           HB3      ASP   8   5.181   2.273  10.420
   65    HD2  ASP   8           HD2      ASP   8   8.645   4.444  10.234
   66    H    PHE   9           H        PHE   9   5.009   2.613   6.003
   67    HA   PHE   9           HA       PHE   9   6.020   1.833   4.240
   68    HB2  PHE   9           HB2      PHE   9   8.044   2.434   5.423
   69    HB3  PHE   9           HB3      PHE   9   8.210   0.745   5.867
   70    HD1  PHE   9           HD1      PHE   9   7.683   2.927   2.850
   71    HD2  PHE   9           HD2      PHE   9   9.736  -0.457   4.459
   72    HE1  PHE   9           HE1      PHE   9   9.070   2.740   0.719
   73    HE2  PHE   9           HE2      PHE   9  11.118  -0.614   2.315
   74    HZ   PHE   9           HZ       PHE   9  10.701   0.957   0.513
   75    H    ILE  10           H        ILE  10   4.392  -0.279   6.644
   76    HA   ILE  10           HA       ILE  10   4.720  -2.542   4.857
   77    HB   ILE  10           HB       ILE  10   2.707  -2.263   6.972
   78   HG12  ILE  10          HG12      ILE  10   5.257  -3.750   7.342
   79   HG13  ILE  10          HG13      ILE  10   5.303  -2.037   7.615
   80   HG21  ILE  10          HG21      ILE  10   2.134  -4.119   5.440
   81   HG22  ILE  10          HG22      ILE  10   2.626  -4.757   7.017
   82   HG23  ILE  10          HG23      ILE  10   3.762  -4.809   5.643
   83   HD11  ILE  10          HD11      ILE  10   3.426  -3.896   9.168
   84   HD12  ILE  10          HD12      ILE  10   3.558  -2.123   9.349
   85   HD13  ILE  10          HD13      ILE  10   4.947  -3.148   9.757
   86    H    ASN  11           H        ASN  11   2.020  -0.869   5.470
   87    HA   ASN  11           HA       ASN  11   0.621  -1.323   3.029
   88    HB2  ASN  11           HB2      ASN  11  -0.489  -0.613   5.152
   89    HB3  ASN  11           HB3      ASN  11  -0.030   1.015   4.757
   90   HD21  ASN  11          HD21      ASN  11  -3.183  -0.685   2.735
   91   HD22  ASN  11          HD22      ASN  11  -1.994  -1.700   3.697
   92    H    ASN  12           H        ASN  12   3.290   1.112   3.386
   93    HA   ASN  12           HA       ASN  12   2.693   2.633   1.046
   94    HB2  ASN  12           HB2      ASN  12   5.413   2.359   2.233
   95    HB3  ASN  12           HB3      ASN  12   4.908   3.420   1.046
   96   HD21  ASN  12          HD21      ASN  12   3.824   5.882   3.188
   97   HD22  ASN  12          HD22      ASN  12   4.164   5.054   1.552
   98    H    LYS  13           H        LYS  13   2.308   0.203   0.517
   99    HA   LYS  13           HA       LYS  13   1.958  -1.122  -1.303
  100    HB2  LYS  13           HB2      LYS  13   3.820   0.720  -2.835
  101    HB3  LYS  13           HB3      LYS  13   3.075  -0.718  -3.534
  102    HG2  LYS  13           HG2      LYS  13   1.450   0.852  -4.065
  103    HG3  LYS  13           HG3      LYS  13   0.795   0.119  -2.618
  104    HD2  LYS  13           HD2      LYS  13   2.297   2.359  -1.646
  105    HD3  LYS  13           HD3      LYS  13   1.618   2.926  -3.156
  106    HE2  LYS  13           HE2      LYS  13  -0.705   2.256  -2.353
  107    HE3  LYS  13           HE3      LYS  13  -0.002   1.617  -0.863
  108    HZ1  LYS  13           HZ1      LYS  13   0.135   4.444  -1.722
  109    HZ2  LYS  13           HZ2      LYS  13  -0.843   3.820  -0.519
  110    HZ3  LYS  13           HZ3      LYS  13   0.779   3.825  -0.309
  111    H    HIS  14           H        HIS  14   2.900  -2.354   0.503
  112    HA   HIS  14           HA       HIS  14   4.115  -4.216   1.252
  113    HB2  HIS  14           HB2      HIS  14   4.395  -4.899  -1.734
  114    HB3  HIS  14           HB3      HIS  14   4.804  -5.977  -0.420
  115    HD2  HIS  14           HD2      HIS  14   2.717  -6.848   1.246
  116    HE1  HIS  14           HE1      HIS  14  -0.268  -6.170  -1.574
  117    HE2  HIS  14           HE2      HIS  14   0.188  -7.390   0.645
  118    H    LEU  15           H        LEU  15   5.456  -2.122   1.694
  119    HA   LEU  15           HA       LEU  15   7.558  -1.054   1.929
  120    HB2  LEU  15           HB2      LEU  15   8.656  -3.919   1.562
  121    HB3  LEU  15           HB3      LEU  15   9.551  -2.558   2.153
  122    HG   LEU  15           HG       LEU  15   7.927  -2.413   4.210
  123   HD11  LEU  15          HD11      LEU  15   7.133  -5.276   3.136
  124   HD12  LEU  15          HD12      LEU  15   6.799  -4.714   4.777
  125   HD13  LEU  15          HD13      LEU  15   6.013  -3.939   3.408
  126   HD21  LEU  15          HD21      LEU  15   9.692  -4.987   3.753
  127   HD22  LEU  15          HD22      LEU  15  10.307  -3.417   4.280
  128   HD23  LEU  15          HD23      LEU  15   9.234  -4.348   5.336
  129    H    ASN  16           H        ASN  16   6.484  -0.449  -0.440
  130    HA   ASN  16           HA       ASN  16   6.909   0.244  -2.613
  131    HB2  ASN  16           HB2      ASN  16   8.175   1.729  -1.228
  132    HB3  ASN  16           HB3      ASN  16   9.603   0.828  -1.510
  133   HD21  ASN  16          HD21      ASN  16   8.511   3.640  -4.088
  134   HD22  ASN  16          HD22      ASN  16   7.715   3.001  -2.529
  135    H    GLU  17           H        GLU  17   6.456  -2.073  -3.319
  136    HA   GLU  17           HA       GLU  17   6.866  -4.142  -4.041
  137    HB2  GLU  17           HB2      GLU  17   8.232  -2.399  -6.024
  138    HB3  GLU  17           HB3      GLU  17   7.639  -4.036  -6.271
  139    HG2  GLU  17           HG2      GLU  17   5.313  -3.368  -5.647
  140    HG3  GLU  17           HG3      GLU  17   5.835  -1.740  -5.403
  141    HE2  GLU  17           HE2      GLU  17   6.514  -0.568  -7.084
  142    H    HIS  18           H        HIS  18   8.181  -4.743  -2.120
  143    HA   HIS  18           HA       HIS  18   9.972  -5.667  -0.980
  144    HB2  HIS  18           HB2      HIS  18   9.161  -7.367  -2.633
  145    HB3  HIS  18           HB3      HIS  18  10.479  -6.949  -3.702
  146    HD2  HIS  18           HD2      HIS  18  10.694  -9.716  -3.177
  147    HE1  HIS  18           HE1      HIS  18  12.863  -9.235   0.347
  148    HE2  HIS  18           HE2      HIS  18  12.252 -11.004  -1.420
  149    H    ALA  19           H        ALA  19  11.104  -3.733  -0.462
  150    HA   ALA  19           HA       ALA  19  13.186  -2.890   0.047
  151    HB1  ALA  19           HB1      ALA  19  14.540  -4.761  -0.880
  152    HB2  ALA  19           HB2      ALA  19  14.527  -3.986  -2.486
  153    HB3  ALA  19           HB3      ALA  19  15.293  -3.167  -1.108
  154    H    HIS  20           H        HIS  20  13.237  -0.854  -0.075
  155    HA   HIS  20           HA       HIS  20  11.940   0.866  -1.879
  156    HB2  HIS  20           HB2      HIS  20  12.902   1.262   0.559
  157    HB3  HIS  20           HB3      HIS  20  14.361   1.775  -0.218
  158    HD2  HIS  20           HD2      HIS  20  13.398   3.965   1.296
  159    HE1  HIS  20           HE1      HIS  20  10.566   5.216  -1.489
  160    HE2  HIS  20           HE2      HIS  20  11.770   5.987   0.653
  161    HXT  HIS  20           HXT      HIS  20  14.072   1.681  -4.632
  Start of MODEL   19
    1    H1   SER   1           H1       SER   1  -0.882  11.742  11.553
    2    H2   SER   1           H2       SER   1  -0.188  10.904  12.478
    3    H3   SER   1           H3       SER   1  -0.506  10.605  10.777
    4    HA   SER   1           HA       SER   1  -2.476  10.986  12.996
    5    HB2  SER   1           HB2      SER   1  -2.298  12.800  11.251
    6    HB3  SER   1           HB3      SER   1  -2.892  11.596  10.097
    7    HG   SER   1           HG       SER   1  -4.193  12.402  12.482
    8    H    ASP   2           H        ASP   2  -1.366   8.438  12.475
    9    HA   ASP   2           HA       ASP   2  -1.987   6.225  12.586
   10    HB2  ASP   2           HB2      ASP   2  -4.113   7.077  13.886
   11    HB3  ASP   2           HB3      ASP   2  -4.867   7.237  12.339
   12    HD2  ASP   2           HD2      ASP   2  -5.732   5.580  11.481
   13    H    THR   3           H        THR   3  -0.809   6.122  10.808
   14    HA   THR   3           HA       THR   3  -0.199   5.796   8.461
   15    HB   THR   3           HB       THR   3  -0.559   3.715   9.361
   16    HG1  THR   3           HG1      THR   3  -1.665   3.932   6.780
   17   HG21  THR   3          HG21      THR   3  -2.829   3.599  10.179
   18   HG22  THR   3          HG22      THR   3  -2.641   2.354   8.926
   19   HG23  THR   3          HG23      THR   3  -3.508   3.881   8.560
   20    H    ARG   4           H        ARG   4  -1.030   8.258   8.043
   21    HA   ARG   4           HA       ARG   4  -2.054   9.691   6.695
   22    HB2  ARG   4           HB2      ARG   4  -2.305   7.353   4.693
   23    HB3  ARG   4           HB3      ARG   4  -2.510   9.025   4.264
   24    HG2  ARG   4           HG2      ARG   4   0.104   7.733   5.245
   25    HG3  ARG   4           HG3      ARG   4  -0.327   8.082   3.599
   26    HD2  ARG   4           HD2      ARG   4  -0.380  10.660   4.181
   27    HD3  ARG   4           HD3      ARG   4   0.146  10.264   5.792
   28    HE   ARG   4           HE       ARG   4   2.304   9.749   5.060
   29   HH11  ARG   4          HH11      ARG   4   0.257  10.290   2.210
   30   HH12  ARG   4          HH12      ARG   4   1.729  10.413   1.121
   31   HH21  ARG   4          HH21      ARG   4   3.680  10.216   1.911
   32   HH22  ARG   4          HH22      ARG   4   3.956   9.916   3.701
   33    H    TYR   5           H        TYR   5  -3.742   8.692   8.625
   34    HA   TYR   5           HA       TYR   5  -5.902   8.670   9.357
   35    HB2  TYR   5           HB2      TYR   5  -5.635  10.994   8.441
   36    HB3  TYR   5           HB3      TYR   5  -6.439  10.423   7.013
   37    HD1  TYR   5           HD1      TYR   5  -6.888  10.688  10.766
   38    HD2  TYR   5           HD2      TYR   5  -8.869  10.722   6.944
   39    HE1  TYR   5           HE1      TYR   5  -8.998  11.317  11.856
   40    HE2  TYR   5           HE2      TYR   5 -10.971  11.351   8.048
   41    HH   TYR   5           HH       TYR   5 -11.983  11.814   9.969
   42    H    ASN   6           H        ASN   6  -5.208   6.427   7.752
   43    HA   ASN   6           HA       ASN   6  -7.633   4.965   7.614
   44    HB2  ASN   6           HB2      ASN   6  -6.851   5.951   4.778
   45    HB3  ASN   6           HB3      ASN   6  -7.647   4.437   4.985
   46   HD21  ASN   6          HD21      ASN   6 -10.895   5.880   5.772
   47   HD22  ASN   6          HD22      ASN   6  -9.793   4.486   6.226
   48    H    LYS   7           H        LYS   7  -4.887   5.052   5.298
   49    HA   LYS   7           HA       LYS   7  -3.266   3.020   6.237
   50    HB2  LYS   7           HB2      LYS   7  -3.458   1.320   4.729
   51    HB3  LYS   7           HB3      LYS   7  -4.609   1.369   6.040
   52    HG2  LYS   7           HG2      LYS   7  -5.741   0.668   4.022
   53    HG3  LYS   7           HG3      LYS   7  -6.417   2.177   4.616
   54    HD2  LYS   7           HD2      LYS   7  -4.097   2.623   2.803
   55    HD3  LYS   7           HD3      LYS   7  -5.322   1.672   2.020
   56    HE2  LYS   7           HE2      LYS   7  -5.999   4.204   3.564
   57    HE3  LYS   7           HE3      LYS   7  -5.230   4.344   2.015
   58    HZ1  LYS   7           HZ1      LYS   7  -7.847   3.008   2.495
   59    HZ2  LYS   7           HZ2      LYS   7  -7.637   4.506   1.786
   60    HZ3  LYS   7           HZ3      LYS   7  -7.121   3.168   0.998
   61    H    ASP   8           H        ASP   8  -1.232   4.256   5.459
   62    HA   ASP   8           HA       ASP   8  -1.114   6.296   3.644
   63    HB2  ASP   8           HB2      ASP   8   0.780   5.416   4.965
   64    HB3  ASP   8           HB3      ASP   8   0.888   4.060   3.850
   65    HD2  ASP   8           HD2      ASP   8   1.155   4.667   1.630
   66    H    PHE   9           H        PHE   9  -0.679   3.035   2.755
   67    HA   PHE   9           HA       PHE   9  -2.608   2.817   0.608
   68    HB2  PHE   9           HB2      PHE   9   0.117   3.653  -0.027
   69    HB3  PHE   9           HB3      PHE   9  -0.093   2.096  -0.683
   70    HD1  PHE   9           HD1      PHE   9  -0.446   5.451  -1.475
   71    HD2  PHE   9           HD2      PHE   9  -2.396   1.688  -2.029
   72    HE1  PHE   9           HE1      PHE   9  -1.603   6.340  -3.562
   73    HE2  PHE   9           HE2      PHE   9  -3.543   2.609  -4.115
   74    HZ   PHE   9           HZ       PHE   9  -3.105   4.894  -4.808
   75    H    ILE  10           H        ILE  10  -2.431   0.954   3.217
   76    HA   ILE  10           HA       ILE  10  -1.594  -0.801   4.219
   77    HB   ILE  10           HB       ILE  10  -2.326  -1.478   1.464
   78   HG12  ILE  10          HG12      ILE  10  -3.987  -2.247   3.786
   79   HG13  ILE  10          HG13      ILE  10  -3.838  -0.532   3.536
   80   HG21  ILE  10          HG21      ILE  10  -0.962  -3.459   2.131
   81   HG22  ILE  10          HG22      ILE  10  -2.677  -3.895   2.118
   82   HG23  ILE  10          HG23      ILE  10  -1.854  -3.576   3.667
   83   HD11  ILE  10          HD11      ILE  10  -4.854  -2.433   1.363
   84   HD12  ILE  10          HD12      ILE  10  -5.823  -1.295   2.355
   85   HD13  ILE  10          HD13      ILE  10  -4.620  -0.667   1.204
   86    H    ASN  11           H        ASN  11   0.288  -0.356   5.026
   87    HA   ASN  11           HA       ASN  11   2.608  -0.236   5.421
   88    HB2  ASN  11           HB2      ASN  11   1.963  -2.645   5.213
   89    HB3  ASN  11           HB3      ASN  11   2.711  -2.599   3.643
   90   HD21  ASN  11          HD21      ASN  11   5.078  -2.676   7.023
   91   HD22  ASN  11          HD22      ASN  11   3.265  -2.395   7.095
   92    H    ASN  12           H        ASN  12   1.719   1.589   2.880
   93    HA   ASN  12           HA       ASN  12   2.737   2.862   1.358
   94    HB2  ASN  12           HB2      ASN  12   4.182   3.431   3.161
   95    HB3  ASN  12           HB3      ASN  12   5.266   2.193   2.739
   96   HD21  ASN  12          HD21      ASN  12   5.557   5.784   1.044
   97   HD22  ASN  12          HD22      ASN  12   4.340   5.067   2.262
   98    H    LYS  13           H        LYS  13   1.679   1.064   0.130
   99    HA   LYS  13           HA       LYS  13   1.579  -0.245  -1.780
  100    HB2  LYS  13           HB2      LYS  13   4.255   1.025  -2.535
  101    HB3  LYS  13           HB3      LYS  13   3.253   0.101  -3.627
  102    HG2  LYS  13           HG2      LYS  13   2.461   2.770  -2.328
  103    HG3  LYS  13           HG3      LYS  13   3.075   2.576  -3.954
  104    HD2  LYS  13           HD2      LYS  13   0.422   1.378  -2.933
  105    HD3  LYS  13           HD3      LYS  13   0.587   2.906  -3.784
  106    HE2  LYS  13           HE2      LYS  13   1.515   1.683  -5.821
  107    HE3  LYS  13           HE3      LYS  13   1.294   0.141  -4.979
  108    HZ1  LYS  13           HZ1      LYS  13  -1.065   0.628  -4.836
  109    HZ2  LYS  13           HZ2      LYS  13  -0.855   2.073  -5.649
  110    HZ3  LYS  13           HZ3      LYS  13  -0.551   0.667  -6.425
  111    H    HIS  14           H        HIS  14   2.152  -1.687   0.327
  112    HA   HIS  14           HA       HIS  14   2.992  -3.743   1.106
  113    HB2  HIS  14           HB2      HIS  14   3.024  -4.452  -1.885
  114    HB3  HIS  14           HB3      HIS  14   3.290  -5.606  -0.600
  115    HD2  HIS  14           HD2      HIS  14   1.193  -6.343   0.983
  116    HE1  HIS  14           HE1      HIS  14  -1.800  -4.608  -1.330
  117    HE2  HIS  14           HE2      HIS  14  -1.435  -6.256   0.611
  118    H    LEU  15           H        LEU  15   4.775  -2.315   1.824
  119    HA   LEU  15           HA       LEU  15   7.022  -1.811   2.174
  120    HB2  LEU  15           HB2      LEU  15   7.517  -4.626   0.968
  121    HB3  LEU  15           HB3      LEU  15   8.696  -3.693   1.823
  122    HG   LEU  15           HG       LEU  15   7.170  -3.811   3.966
  123   HD11  LEU  15          HD11      LEU  15   5.813  -6.053   2.201
  124   HD12  LEU  15          HD12      LEU  15   4.987  -4.698   2.969
  125   HD13  LEU  15          HD13      LEU  15   5.661  -5.986   3.960
  126   HD21  LEU  15          HD21      LEU  15   8.110  -6.185   4.439
  127   HD22  LEU  15          HD22      LEU  15   9.317  -5.173   3.627
  128   HD23  LEU  15          HD23      LEU  15   8.443  -6.405   2.717
  129    H    ASN  16           H        ASN  16   5.951  -0.709  -0.229
  130    HA   ASN  16           HA       ASN  16   6.547   0.265  -2.264
  131    HB2  ASN  16           HB2      ASN  16   7.800   1.448  -0.570
  132    HB3  ASN  16           HB3      ASN  16   9.196   0.535  -0.932
  133   HD21  ASN  16          HD21      ASN  16   8.318   3.758  -3.094
  134   HD22  ASN  16          HD22      ASN  16   7.448   2.929  -1.667
  135    H    GLU  17           H        GLU  17   6.022  -1.954  -3.241
  136    HA   GLU  17           HA       GLU  17   6.312  -3.865  -4.239
  137    HB2  GLU  17           HB2      GLU  17   8.253  -2.218  -5.768
  138    HB3  GLU  17           HB3      GLU  17   7.431  -3.692  -6.271
  139    HG2  GLU  17           HG2      GLU  17   5.188  -2.660  -5.932
  140    HG3  GLU  17           HG3      GLU  17   5.931  -1.183  -5.435
  141    HE2  GLU  17           HE2      GLU  17   6.804  -0.083  -8.619
  142    H    HIS  18           H        HIS  18   7.695  -4.184  -1.840
  143    HA   HIS  18           HA       HIS  18   9.905  -6.054  -2.513
  144    HB2  HIS  18           HB2      HIS  18  10.476  -4.062  -1.172
  145    HB3  HIS  18           HB3      HIS  18   9.565  -4.764   0.137
  146    HD2  HIS  18           HD2      HIS  18  12.210  -4.429   1.065
  147    HE1  HIS  18           HE1      HIS  18  13.241  -8.327   0.009
  148    HE2  HIS  18           HE2      HIS  18  13.980  -6.383   1.528
  149    H    ALA  19           H        ALA  19   8.504  -6.262   0.289
  150    HA   ALA  19           HA       ALA  19   7.053  -7.838   1.502
  151    HB1  ALA  19           HB1      ALA  19   5.474  -9.360   0.424
  152    HB2  ALA  19           HB2      ALA  19   6.157  -9.026  -1.182
  153    HB3  ALA  19           HB3      ALA  19   5.337  -7.732  -0.275
  154    H    HIS  20           H        HIS  20   9.175  -8.343   2.225
  155    HA   HIS  20           HA       HIS  20  10.704 -10.553   1.145
  156    HB2  HIS  20           HB2      HIS  20  11.469  -8.461   2.568
  157    HB3  HIS  20           HB3      HIS  20  11.087  -9.435   3.967
  158    HD2  HIS  20           HD2      HIS  20  13.842  -8.829   4.093
  159    HE1  HIS  20           HE1      HIS  20  15.051 -11.811   1.454
  160    HE2  HIS  20           HE2      HIS  20  15.978 -10.162   3.200
  161    HXT  HIS  20           HXT      HIS  20   9.421 -13.399   2.892
  Start of MODEL   20
    1    H1   SER   1           H1       SER   1   2.413  -1.010  18.198
    2    H2   SER   1           H2       SER   1   3.007  -0.973  19.497
    3    H3   SER   1           H3       SER   1   1.842  -2.135  18.870
    4    HA   SER   1           HA       SER   1   4.672  -1.727  18.001
    5    HB2  SER   1           HB2      SER   1   4.084  -3.872  19.190
    6    HB3  SER   1           HB3      SER   1   3.078  -4.241  17.778
    7    HG   SER   1           HG       SER   1   4.941  -3.996  16.483
    8    H    ASP   2           H        ASP   2   2.611  -0.098  16.959
    9    HA   ASP   2           HA       ASP   2   2.316  -0.970  14.149
   10    HB2  ASP   2           HB2      ASP   2   0.522   0.982  14.197
   11    HB3  ASP   2           HB3      ASP   2   0.224  -0.136  15.508
   12    HD2  ASP   2           HD2      ASP   2  -0.812   1.173  16.581
   13    H    THR   3           H        THR   3   4.790   0.153  15.080
   14    HA   THR   3           HA       THR   3   6.476   1.629  14.752
   15    HB   THR   3           HB       THR   3   6.900   0.178  13.124
   16    HG1  THR   3           HG1      THR   3   7.961   1.479  11.610
   17   HG21  THR   3          HG21      THR   3   4.882  -0.053  11.840
   18   HG22  THR   3          HG22      THR   3   6.174   0.412  10.712
   19   HG23  THR   3          HG23      THR   3   4.969   1.626  11.260
   20    H    ARG   4           H        ARG   4   3.990   3.001  12.776
   21    HA   ARG   4           HA       ARG   4   4.239   5.502  14.165
   22    HB2  ARG   4           HB2      ARG   4   4.772   7.117  12.146
   23    HB3  ARG   4           HB3      ARG   4   6.103   6.078  12.514
   24    HG2  ARG   4           HG2      ARG   4   5.992   6.222  10.227
   25    HG3  ARG   4           HG3      ARG   4   5.545   4.586  10.612
   26    HD2  ARG   4           HD2      ARG   4   3.175   4.949  10.104
   27    HD3  ARG   4           HD3      ARG   4   3.273   6.680  10.197
   28    HE   ARG   4           HE       ARG   4   3.940   5.006   7.878
   29   HH11  ARG   4          HH11      ARG   4   4.363   5.928   5.996
   30   HH12  ARG   4          HH12      ARG   4   4.721   7.725   5.882
   31   HH21  ARG   4          HH21      ARG   4   4.733   8.950   7.610
   32   HH22  ARG   4          HH22      ARG   4   4.386   8.242   9.266
   33    H    TYR   5           H        TYR   5   2.225   3.649  14.038
   34    HA   TYR   5           HA       TYR   5  -0.045   3.402  13.848
   35    HB2  TYR   5           HB2      TYR   5   0.075   5.520  15.107
   36    HB3  TYR   5           HB3      TYR   5  -0.078   6.364  13.598
   37    HD1  TYR   5           HD1      TYR   5  -1.846   3.743  15.695
   38    HD2  TYR   5           HD2      TYR   5  -2.335   7.018  12.947
   39    HE1  TYR   5           HE1      TYR   5  -4.281   3.654  16.010
   40    HE2  TYR   5           HE2      TYR   5  -4.767   6.918  13.271
   41    HH   TYR   5           HH       TYR   5  -6.454   5.906  14.299
   42    H    ASN   6           H        ASN   6   1.383   2.814  11.533
   43    HA   ASN   6           HA       ASN   6  -0.678   2.608   9.521
   44    HB2  ASN   6           HB2      ASN   6   1.812   4.282   8.556
   45    HB3  ASN   6           HB3      ASN   6   0.597   3.743   7.518
   46   HD21  ASN   6          HD21      ASN   6  -1.737   6.409   8.322
   47   HD22  ASN   6          HD22      ASN   6  -1.642   4.642   7.833
   48    H    LYS   7           H        LYS   7   2.437   1.440  10.703
   49    HA   LYS   7           HA       LYS   7   3.916  -0.118   9.827
   50    HB2  LYS   7           HB2      LYS   7   2.241  -0.624   7.425
   51    HB3  LYS   7           HB3      LYS   7   3.531  -1.551   8.172
   52    HG2  LYS   7           HG2      LYS   7   0.782  -0.952   9.397
   53    HG3  LYS   7           HG3      LYS   7   1.215  -2.457   8.626
   54    HD2  LYS   7           HD2      LYS   7   2.388  -3.274  10.423
   55    HD3  LYS   7           HD3      LYS   7   3.096  -1.738  10.891
   56    HE2  LYS   7           HE2      LYS   7   1.291  -0.979  12.108
   57    HE3  LYS   7           HE3      LYS   7   0.115  -2.047  11.327
   58    HZ1  LYS   7           HZ1      LYS   7   0.638  -2.829  13.527
   59    HZ2  LYS   7           HZ2      LYS   7   1.181  -3.947  12.409
   60    HZ3  LYS   7           HZ3      LYS   7   2.261  -2.972  13.156
   61    H    ASP   8           H        ASP   8   5.415   2.054   9.637
   62    HA   ASP   8           HA       ASP   8   5.422   3.895   7.620
   63    HB2  ASP   8           HB2      ASP   8   7.121   3.599   9.575
   64    HB3  ASP   8           HB3      ASP   8   7.945   2.500   8.484
   65    HD2  ASP   8           HD2      ASP   8   7.948   6.517   7.795
   66    H    PHE   9           H        PHE   9   6.634   0.788   7.106
   67    HA   PHE   9           HA       PHE   9   6.266   1.311   4.231
   68    HB2  PHE   9           HB2      PHE   9   8.582   0.022   5.653
   69    HB3  PHE   9           HB3      PHE   9   8.236  -0.678   4.138
   70    HD1  PHE   9           HD1      PHE   9   9.797   2.090   5.819
   71    HD2  PHE   9           HD2      PHE   9   8.199   0.888   2.040
   72    HE1  PHE   9           HE1      PHE   9  11.003   4.021   4.676
   73    HE2  PHE   9           HE2      PHE   9   9.422   2.837   0.926
   74    HZ   PHE   9           HZ       PHE   9  10.774   4.328   2.277
   75    H    ILE  10           H        ILE  10   5.207  -1.412   6.529
   76    HA   ILE  10           HA       ILE  10   4.678  -3.085   4.312
   77    HB   ILE  10           HB       ILE  10   3.068  -3.061   6.783
   78   HG12  ILE  10          HG12      ILE  10   5.310  -4.974   6.325
   79   HG13  ILE  10          HG13      ILE  10   5.754  -3.393   6.913
   80   HG21  ILE  10          HG21      ILE  10   3.411  -5.334   4.764
   81   HG22  ILE  10          HG22      ILE  10   1.916  -4.419   5.078
   82   HG23  ILE  10          HG23      ILE  10   2.579  -5.474   6.333
   83   HD11  ILE  10          HD11      ILE  10   3.818  -5.241   8.416
   84   HD12  ILE  10          HD12      ILE  10   4.333  -3.605   8.917
   85   HD13  ILE  10          HD13      ILE  10   5.530  -4.912   8.818
   86    H    ASN  11           H        ASN  11   2.757  -0.783   5.503
   87    HA   ASN  11           HA       ASN  11   0.617  -0.920   3.502
   88    HB2  ASN  11           HB2      ASN  11   0.241  -0.107   5.880
   89    HB3  ASN  11           HB3      ASN  11   1.006   1.383   5.379
   90   HD21  ASN  11          HD21      ASN  11  -2.892   0.664   4.244
   91   HD22  ASN  11          HD22      ASN  11  -1.806  -0.671   4.886
   92    H    ASN  12           H        ASN  12   3.693   0.651   3.312
   93    HA   ASN  12           HA       ASN  12   2.905   2.706   1.330
   94    HB2  ASN  12           HB2      ASN  12   4.607   3.231   3.075
   95    HB3  ASN  12           HB3      ASN  12   5.696   2.197   2.240
   96   HD21  ASN  12          HD21      ASN  12   5.212   5.949   1.052
   97   HD22  ASN  12          HD22      ASN  12   4.349   4.950   2.363
   98    H    LYS  13           H        LYS  13   2.208   0.285   0.658
   99    HA   LYS  13           HA       LYS  13   1.802  -1.017  -1.149
  100    HB2  LYS  13           HB2      LYS  13   3.812   0.574  -2.784
  101    HB3  LYS  13           HB3      LYS  13   2.603  -0.547  -3.414
  102    HG2  LYS  13           HG2      LYS  13   2.070   2.098  -1.948
  103    HG3  LYS  13           HG3      LYS  13   1.886   1.837  -3.669
  104    HD2  LYS  13           HD2      LYS  13  -0.135   0.558  -3.422
  105    HD3  LYS  13           HD3      LYS  13   0.225   0.073  -1.789
  106    HE2  LYS  13           HE2      LYS  13  -1.522   1.528  -1.516
  107    HE3  LYS  13           HE3      LYS  13  -0.088   2.350  -0.900
  108    HZ1  LYS  13           HZ1      LYS  13  -1.457   3.817  -2.240
  109    HZ2  LYS  13           HZ2      LYS  13  -1.325   2.819  -3.575
  110    HZ3  LYS  13           HZ3      LYS  13   0.004   3.590  -3.019
  111    H    HIS  14           H        HIS  14   2.703  -2.424   0.467
  112    HA   HIS  14           HA       HIS  14   3.876  -4.360   1.063
  113    HB2  HIS  14           HB2      HIS  14   4.233  -4.768  -1.963
  114    HB3  HIS  14           HB3      HIS  14   4.588  -5.969  -0.745
  115    HD2  HIS  14           HD2      HIS  14   2.441  -6.955   0.775
  116    HE1  HIS  14           HE1      HIS  14  -0.449  -5.976  -2.053
  117    HE2  HIS  14           HE2      HIS  14  -0.075  -7.401   0.057
  118    H    LEU  15           H        LEU  15   5.232  -2.335   1.741
  119    HA   LEU  15           HA       LEU  15   7.363  -1.408   2.193
  120    HB2  LEU  15           HB2      LEU  15   8.515  -4.162   1.501
  121    HB3  LEU  15           HB3      LEU  15   9.280  -2.871   2.391
  122    HG   LEU  15           HG       LEU  15   7.404  -3.162   4.247
  123   HD11  LEU  15          HD11      LEU  15   7.112  -5.893   2.676
  124   HD12  LEU  15          HD12      LEU  15   6.532  -5.647   4.324
  125   HD13  LEU  15          HD13      LEU  15   5.802  -4.753   2.996
  126   HD21  LEU  15          HD21      LEU  15   9.865  -3.900   4.481
  127   HD22  LEU  15          HD22      LEU  15   9.517  -5.427   3.660
  128   HD23  LEU  15          HD23      LEU  15   8.806  -5.095   5.247
  129    H    ASN  16           H        ASN  16   6.337  -0.632  -0.186
  130    HA   ASN  16           HA       ASN  16   6.852   0.322  -2.235
  131    HB2  ASN  16           HB2      ASN  16   7.943   1.700  -0.590
  132    HB3  ASN  16           HB3      ASN  16   9.437   0.931  -0.895
  133   HD21  ASN  16          HD21      ASN  16   8.262   3.960  -3.182
  134   HD22  ASN  16          HD22      ASN  16   7.454   3.092  -1.745
  135    H    GLU  17           H        GLU  17   6.575  -1.944  -3.177
  136    HA   GLU  17           HA       GLU  17   7.114  -3.864  -4.113
  137    HB2  GLU  17           HB2      GLU  17   8.678  -1.935  -5.741
  138    HB3  GLU  17           HB3      GLU  17   8.122  -3.540  -6.201
  139    HG2  GLU  17           HG2      GLU  17   5.734  -2.914  -5.778
  140    HG3  GLU  17           HG3      GLU  17   6.233  -1.322  -5.331
  141    HE2  GLU  17           HE2      GLU  17   5.984  -3.559  -7.831
  142    H    HIS  18           H        HIS  18   8.180  -4.740  -2.156
  143    HA   HIS  18           HA       HIS  18   9.735  -5.882  -0.989
  144    HB2  HIS  18           HB2      HIS  18   9.362  -7.232  -3.018
  145    HB3  HIS  18           HB3      HIS  18  10.806  -6.569  -3.745
  146    HD2  HIS  18           HD2      HIS  18  11.153  -9.363  -3.742
  147    HE1  HIS  18           HE1      HIS  18  12.703  -9.530   0.124
  148    HE2  HIS  18           HE2      HIS  18  12.534 -10.912  -2.042
  149    H    ALA  19           H        ALA  19  10.789  -4.499   0.248
  150    HA   ALA  19           HA       ALA  19  13.273  -3.107  -0.610
  151    HB1  ALA  19           HB1      ALA  19  11.808  -3.056   2.096
  152    HB2  ALA  19           HB2      ALA  19  13.234  -2.077   1.672
  153    HB3  ALA  19           HB3      ALA  19  11.712  -1.835   0.800
  154    H    HIS  20           H        HIS  20  14.010  -5.378  -1.073
  155    HA   HIS  20           HA       HIS  20  14.955  -7.141   0.961
  156    HB2  HIS  20           HB2      HIS  20  14.534  -7.540  -1.591
  157    HB3  HIS  20           HB3      HIS  20  16.178  -7.017  -1.839
  158    HD2  HIS  20           HD2      HIS  20  15.989  -9.669  -2.791
  159    HE1  HIS  20           HE1      HIS  20  16.361 -11.487   0.935
  160    HE2  HIS  20           HE2      HIS  20  16.441 -12.010  -1.584
  161    HXT  HIS  20           HXT      HIS  20  17.180  -5.100  -0.980
  Start of MODEL   21
    1    H1   SER   1           H1       SER   1  -9.346  -1.819   7.883
    2    H2   SER   1           H2       SER   1 -10.001  -2.901   7.219
    3    H3   SER   1           H3       SER   1  -8.652  -2.976   8.350
    4    HA   SER   1           HA       SER   1 -11.410  -1.951   8.867
    5    HB2  SER   1           HB2      SER   1 -10.853  -4.327   9.687
    6    HB3  SER   1           HB3      SER   1  -9.788  -3.509  10.838
    7    HG   SER   1           HG       SER   1 -11.875  -3.860  11.660
    8    H    ASP   2           H        ASP   2  -9.406  -0.215   8.104
    9    HA   ASP   2           HA       ASP   2  -8.421   1.843   8.624
   10    HB2  ASP   2           HB2      ASP   2 -10.973   2.073   9.401
   11    HB3  ASP   2           HB3      ASP   2 -10.393   1.740  10.997
   12    HD2  ASP   2           HD2      ASP   2 -10.213   5.380   9.334
   13    H    THR   3           H        THR   3  -7.053  -0.391   9.673
   14    HA   THR   3           HA       THR   3  -5.950  -0.325  12.205
   15    HB   THR   3           HB       THR   3  -5.502  -2.089  10.718
   16    HG1  THR   3           HG1      THR   3  -3.340  -2.388  11.208
   17   HG21  THR   3          HG21      THR   3  -3.807  -2.103   8.945
   18   HG22  THR   3          HG22      THR   3  -5.062  -0.909   8.549
   19   HG23  THR   3          HG23      THR   3  -3.481  -0.364   9.156
   20    H    ARG   4           H        ARG   4  -4.156   1.521   9.738
   21    HA   ARG   4           HA       ARG   4  -2.918   3.150  11.947
   22    HB2  ARG   4           HB2      ARG   4  -1.765   2.936   9.082
   23    HB3  ARG   4           HB3      ARG   4  -0.968   3.563  10.486
   24    HG2  ARG   4           HG2      ARG   4  -1.393   0.690   9.595
   25    HG3  ARG   4           HG3      ARG   4   0.088   1.533   9.905
   26    HD2  ARG   4           HD2      ARG   4  -0.540   1.502  12.496
   27    HD3  ARG   4           HD3      ARG   4  -1.924   0.512  12.078
   28    HE   ARG   4           HE       ARG   4   0.503  -0.634  10.935
   29   HH11  ARG   4          HH11      ARG   4   1.341  -2.425  11.776
   30   HH12  ARG   4          HH12      ARG   4   0.888  -2.977  13.467
   31   HH21  ARG   4          HH21      ARG   4  -0.477  -1.874  14.648
   32   HH22  ARG   4          HH22      ARG   4  -1.243  -0.335  14.011
   33    H    TYR   5           H        TYR   5  -5.471   3.712  11.171
   34    HA   TYR   5           HA       TYR   5  -6.815   5.653  10.932
   35    HB2  TYR   5           HB2      TYR   5  -5.142   7.026  11.871
   36    HB3  TYR   5           HB3      TYR   5  -4.299   7.072  10.360
   37    HD1  TYR   5           HD1      TYR   5  -7.650   7.946  11.896
   38    HD2  TYR   5           HD2      TYR   5  -4.775   8.943   8.853
   39    HE1  TYR   5           HE1      TYR   5  -8.950   9.947  11.313
   40    HE2  TYR   5           HE2      TYR   5  -6.085  10.939   8.281
   41    HH   TYR   5           HH       TYR   5  -7.892  12.153   8.721
   42    H    ASN   6           H        ASN   6  -7.277   3.766   9.162
   43    HA   ASN   6           HA       ASN   6  -8.369   3.519   7.110
   44    HB2  ASN   6           HB2      ASN   6  -7.196   6.124   5.996
   45    HB3  ASN   6           HB3      ASN   6  -8.274   5.050   5.173
   46   HD21  ASN   6          HD21      ASN   6 -11.225   6.300   6.808
   47   HD22  ASN   6          HD22      ASN   6 -10.472   4.924   5.850
   48    H    LYS   7           H        LYS   7  -6.183   2.010   7.755
   49    HA   LYS   7           HA       LYS   7  -4.528   0.605   6.796
   50    HB2  LYS   7           HB2      LYS   7  -5.337   1.528   4.057
   51    HB3  LYS   7           HB3      LYS   7  -4.574   0.037   4.580
   52    HG2  LYS   7           HG2      LYS   7  -7.479   0.860   5.081
   53    HG3  LYS   7           HG3      LYS   7  -6.918  -0.318   3.919
   54    HD2  LYS   7           HD2      LYS   7  -6.765  -0.585   6.984
   55    HD3  LYS   7           HD3      LYS   7  -7.964  -1.326   5.960
   56    HE2  LYS   7           HE2      LYS   7  -4.942  -1.994   5.865
   57    HE3  LYS   7           HE3      LYS   7  -6.159  -2.910   6.747
   58    HZ1  LYS   7           HZ1      LYS   7  -7.261  -3.386   4.658
   59    HZ2  LYS   7           HZ2      LYS   7  -5.668  -3.889   4.614
   60    HZ3  LYS   7           HZ3      LYS   7  -6.101  -2.534   3.809
   61    H    ASP   8           H        ASP   8  -3.852   3.891   6.567
   62    HA   ASP   8           HA       ASP   8  -1.832   5.188   5.631
   63    HB2  ASP   8           HB2      ASP   8  -1.336   4.510   7.752
   64    HB3  ASP   8           HB3      ASP   8  -1.095   2.849   7.277
   65    HD2  ASP   8           HD2      ASP   8   0.033   6.042   6.856
   66    H    PHE   9           H        PHE   9  -3.218   4.009   3.646
   67    HA   PHE   9           HA       PHE   9  -3.161   3.403   1.404
   68    HB2  PHE   9           HB2      PHE   9  -1.665   5.276   1.514
   69    HB3  PHE   9           HB3      PHE   9  -0.308   4.183   1.612
   70    HD1  PHE   9           HD1      PHE   9   0.871   4.073  -0.415
   71    HD2  PHE   9           HD2      PHE   9  -3.371   4.582  -0.574
   72    HE1  PHE   9           HE1      PHE   9   0.971   4.299  -2.956
   73    HE2  PHE   9           HE2      PHE   9  -3.240   4.754  -3.115
   74    HZ   PHE   9           HZ       PHE   9  -1.079   4.608  -4.215
   75    H    ILE  10           H        ILE  10  -3.103   0.755   3.234
   76    HA   ILE  10           HA       ILE  10  -2.180  -1.204   3.568
   77    HB   ILE  10           HB       ILE  10  -2.526  -0.750   0.690
   78   HG12  ILE  10          HG12      ILE  10  -4.360  -2.464   2.262
   79   HG13  ILE  10          HG13      ILE  10  -4.377  -0.777   2.685
   80   HG21  ILE  10          HG21      ILE  10  -2.763  -3.266   0.320
   81   HG22  ILE  10          HG22      ILE  10  -2.079  -3.531   1.943
   82   HG23  ILE  10          HG23      ILE  10  -1.099  -2.787   0.656
   83   HD11  ILE  10          HD11      ILE  10  -4.914  -1.733  -0.156
   84   HD12  ILE  10          HD12      ILE  10  -6.106  -1.126   1.041
   85   HD13  ILE  10          HD13      ILE  10  -4.849  -0.036   0.409
   86    H    ASN  11           H        ASN  11  -0.390  -0.396   4.722
   87    HA   ASN  11           HA       ASN  11   1.902  -0.167   5.315
   88    HB2  ASN  11           HB2      ASN  11   1.355  -2.597   5.004
   89    HB3  ASN  11           HB3      ASN  11   2.199  -2.487   3.486
   90   HD21  ASN  11          HD21      ASN  11   4.358  -2.600   7.000
   91   HD22  ASN  11          HD22      ASN  11   2.544  -2.321   6.976
   92    H    ASN  12           H        ASN  12   1.157   1.585   2.648
   93    HA   ASN  12           HA       ASN  12   2.243   2.871   1.154
   94    HB2  ASN  12           HB2      ASN  12   3.422   3.620   3.108
   95    HB3  ASN  12           HB3      ASN  12   4.640   2.465   2.848
   96   HD21  ASN  12          HD21      ASN  12   4.806   6.006   1.032
   97   HD22  ASN  12          HD22      ASN  12   3.530   5.231   2.145
   98    H    LYS  13           H        LYS  13   1.492   0.853  -0.052
   99    HA   LYS  13           HA       LYS  13   1.754  -0.618  -1.818
  100    HB2  LYS  13           HB2      LYS  13   4.301   0.959  -2.432
  101    HB3  LYS  13           HB3      LYS  13   3.588  -0.210  -3.519
  102    HG2  LYS  13           HG2      LYS  13   2.288   2.409  -2.610
  103    HG3  LYS  13           HG3      LYS  13   3.055   2.123  -4.155
  104    HD2  LYS  13           HD2      LYS  13   0.480   0.776  -3.139
  105    HD3  LYS  13           HD3      LYS  13   0.560   2.077  -4.297
  106    HE2  LYS  13           HE2      LYS  13   1.649  -0.781  -4.780
  107    HE3  LYS  13           HE3      LYS  13   0.107  -0.158  -5.352
  108    HZ1  LYS  13           HZ1      LYS  13   1.300   1.469  -6.674
  109    HZ2  LYS  13           HZ2      LYS  13   1.796  -0.082  -7.051
  110    HZ3  LYS  13           HZ3      LYS  13   2.770   0.872  -6.148
  111    H    HIS  14           H        HIS  14   2.398  -1.741   0.546
  112    HA   HIS  14           HA       HIS  14   3.417  -3.625   1.526
  113    HB2  HIS  14           HB2      HIS  14   3.728  -4.621  -1.365
  114    HB3  HIS  14           HB3      HIS  14   3.985  -5.596   0.061
  115    HD2  HIS  14           HD2      HIS  14   1.769  -6.111   1.701
  116    HE1  HIS  14           HE1      HIS  14  -1.044  -5.395  -1.280
  117    HE2  HIS  14           HE2      HIS  14  -0.781  -6.456   1.048
  118    H    LEU  15           H        LEU  15   4.959  -1.892   2.105
  119    HA   LEU  15           HA       LEU  15   7.092  -1.072   2.517
  120    HB2  LEU  15           HB2      LEU  15   8.173  -3.830   1.689
  121    HB3  LEU  15           HB3      LEU  15   8.985  -2.593   2.609
  122    HG   LEU  15           HG       LEU  15   7.128  -2.931   4.487
  123   HD11  LEU  15          HD11      LEU  15   5.531  -4.503   3.177
  124   HD12  LEU  15          HD12      LEU  15   6.257  -5.410   4.500
  125   HD13  LEU  15          HD13      LEU  15   6.851  -5.627   2.848
  126   HD21  LEU  15          HD21      LEU  15   8.554  -4.891   5.403
  127   HD22  LEU  15          HD22      LEU  15   9.594  -3.659   4.668
  128   HD23  LEU  15          HD23      LEU  15   9.249  -5.159   3.798
  129    H    ASN  16           H        ASN  16   6.038  -0.273   0.049
  130    HA   ASN  16           HA       ASN  16   6.568   0.698  -1.944
  131    HB2  ASN  16           HB2      ASN  16   7.770   1.991  -0.302
  132    HB3  ASN  16           HB3      ASN  16   9.216   1.175  -0.691
  133   HD21  ASN  16          HD21      ASN  16   8.030   4.298  -2.864
  134   HD22  ASN  16          HD22      ASN  16   7.281   3.430  -1.394
  135    H    GLU  17           H        GLU  17   6.135  -1.511  -2.867
  136    HA   GLU  17           HA       GLU  17   6.531  -3.467  -3.830
  137    HB2  GLU  17           HB2      GLU  17   7.987  -1.556  -5.578
  138    HB3  GLU  17           HB3      GLU  17   7.358  -3.141  -6.009
  139    HG2  GLU  17           HG2      GLU  17   5.035  -2.481  -5.364
  140    HG3  GLU  17           HG3      GLU  17   5.590  -0.902  -4.936
  141    HE2  GLU  17           HE2      GLU  17   5.834   0.331  -8.171
  142    H    HIS  18           H        HIS  18   7.739  -4.286  -1.944
  143    HA   HIS  18           HA       HIS  18   9.460  -5.407  -0.858
  144    HB2  HIS  18           HB2      HIS  18   8.559  -6.897  -2.690
  145    HB3  HIS  18           HB3      HIS  18   9.946  -6.481  -3.672
  146    HD2  HIS  18           HD2      HIS  18   9.941  -9.291  -3.412
  147    HE1  HIS  18           HE1      HIS  18  11.944  -9.325   0.241
  148    HE2  HIS  18           HE2      HIS  18  11.298 -10.862  -1.721
  149    H    ALA  19           H        ALA  19  10.431  -3.213  -0.555
  150    HA   ALA  19           HA       ALA  19  12.270  -1.825  -0.264
  151    HB1  ALA  19           HB1      ALA  19  13.158  -3.796   0.915
  152    HB2  ALA  19           HB2      ALA  19  14.469  -2.866   0.163
  153    HB3  ALA  19           HB3      ALA  19  13.928  -4.392  -0.577
  154    H    HIS  20           H        HIS  20  11.958  -0.508  -2.076
  155    HA   HIS  20           HA       HIS  20  13.281  -0.997  -4.623
  156    HB2  HIS  20           HB2      HIS  20  11.144   0.355  -4.256
  157    HB3  HIS  20           HB3      HIS  20  12.129   1.669  -3.646
  158    HD2  HIS  20           HD2      HIS  20  10.671   2.685  -5.834
  159    HE1  HIS  20           HE1      HIS  20  13.381   1.373  -8.711
  160    HE2  HIS  20           HE2      HIS  20  11.410   2.997  -8.387
  161    HXT  HIS  20           HXT      HIS  20  16.516   0.433  -4.027
  Start of MODEL   22
    1    H1   SER   1           H1       SER   1  10.479  12.211   1.703
    2    H2   SER   1           H2       SER   1  10.153  12.644   3.024
    3    H3   SER   1           H3       SER   1  11.748  12.371   2.342
    4    HA   SER   1           HA       SER   1   9.507  10.423   2.687
    5    HB2  SER   1           HB2      SER   1  10.180  11.086   0.336
    6    HB3  SER   1           HB3      SER   1  11.708  10.253   0.672
    7    HG   SER   1           HG       SER   1  10.161   8.926  -0.329
    8    H    ASP   2           H        ASP   2  11.323  10.950   4.808
    9    HA   ASP   2           HA       ASP   2  12.344   8.188   5.317
   10    HB2  ASP   2           HB2      ASP   2  14.266   9.921   4.499
   11    HB3  ASP   2           HB3      ASP   2  14.060  10.653   6.067
   12    HD2  ASP   2           HD2      ASP   2  16.720   7.953   5.696
   13    H    THR   3           H        THR   3   9.862   9.058   6.309
   14    HA   THR   3           HA       THR   3   9.561  10.478   8.518
   15    HB   THR   3           HB       THR   3   8.141   7.943   7.825
   16    HG1  THR   3           HG1      THR   3   6.915   9.263   6.442
   17   HG21  THR   3          HG21      THR   3   7.334   9.133   9.855
   18   HG22  THR   3          HG22      THR   3   7.186  10.639   8.883
   19   HG23  THR   3          HG23      THR   3   6.140   9.228   8.509
   20    H    ARG   4           H        ARG   4   9.346   7.065   9.273
   21    HA   ARG   4           HA       ARG   4  10.258   7.548  11.993
   22    HB2  ARG   4           HB2      ARG   4   9.779   4.916  10.450
   23    HB3  ARG   4           HB3      ARG   4  10.365   4.927  12.090
   24    HG2  ARG   4           HG2      ARG   4   8.105   4.584  12.367
   25    HG3  ARG   4           HG3      ARG   4   8.308   6.259  12.807
   26    HD2  ARG   4           HD2      ARG   4   7.358   6.958  10.459
   27    HD3  ARG   4           HD3      ARG   4   7.227   5.294  10.019
   28    HE   ARG   4           HE       ARG   4   5.371   4.977  11.437
   29   HH11  ARG   4          HH11      ARG   4   5.133   8.765  12.808
   30   HH12  ARG   4          HH12      ARG   4   6.661   8.248  11.934
   31   HH21  ARG   4          HH21      ARG   4   3.627   5.688  12.467
   32   HH22  ARG   4          HH22      ARG   4   3.533   7.411  13.089
   33    H    TYR   5           H        TYR   5  11.580   5.383   9.572
   34    HA   TYR   5           HA       TYR   5  14.224   6.492   9.199
   35    HB2  TYR   5           HB2      TYR   5  15.271   4.408   9.583
   36    HB3  TYR   5           HB3      TYR   5  14.795   5.156  11.089
   37    HD1  TYR   5           HD1      TYR   5  12.555   4.113  12.218
   38    HD2  TYR   5           HD2      TYR   5  15.076   2.052   9.400
   39    HE1  TYR   5           HE1      TYR   5  11.804   1.957  13.110
   40    HE2  TYR   5           HE2      TYR   5  14.342  -0.096  10.329
   41    HH   TYR   5           HH       TYR   5  11.971  -0.254  12.987
   42    H    ASN   6           H        ASN   6  12.222   6.884   7.450
   43    HA   ASN   6           HA       ASN   6  11.314   6.441   5.392
   44    HB2  ASN   6           HB2      ASN   6  12.983   3.905   4.956
   45    HB3  ASN   6           HB3      ASN   6  12.161   4.864   3.763
   46   HD21  ASN   6          HD21      ASN   6  14.878   7.162   3.337
   47   HD22  ASN   6          HD22      ASN   6  13.068   6.880   3.170
   48    H    LYS   7           H        LYS   7  10.280   4.898   7.934
   49    HA   LYS   7           HA       LYS   7   9.100   2.529   6.681
   50    HB2  LYS   7           HB2      LYS   7   7.968   3.328   9.306
   51    HB3  LYS   7           HB3      LYS   7   7.941   1.793   8.466
   52    HG2  LYS   7           HG2      LYS   7  10.492   3.060   9.651
   53    HG3  LYS   7           HG3      LYS   7   9.522   1.854  10.465
   54    HD2  LYS   7           HD2      LYS   7  10.926   1.416   7.752
   55    HD3  LYS   7           HD3      LYS   7  11.640   1.060   9.299
   56    HE2  LYS   7           HE2      LYS   7   9.751  -0.592   9.812
   57    HE3  LYS   7           HE3      LYS   7   9.095  -0.301   8.193
   58    HZ1  LYS   7           HZ1      LYS   7  10.509  -2.226   8.246
   59    HZ2  LYS   7           HZ2      LYS   7  11.819  -1.331   8.771
   60    HZ3  LYS   7           HZ3      LYS   7  11.218  -1.065   7.275
   61    H    ASP   8           H        ASP   8   7.732   5.770   7.288
   62    HA   ASP   8           HA       ASP   8   4.992   5.125   6.585
   63    HB2  ASP   8           HB2      ASP   8   5.717   7.334   7.419
   64    HB3  ASP   8           HB3      ASP   8   6.357   7.666   5.804
   65    HD2  ASP   8           HD2      ASP   8   5.051   8.139   4.265
   66    H    PHE   9           H        PHE   9   7.740   5.654   4.468
   67    HA   PHE   9           HA       PHE   9   6.521   5.352   1.871
   68    HB2  PHE   9           HB2      PHE   9   8.880   6.289   2.575
   69    HB3  PHE   9           HB3      PHE   9   9.353   4.614   2.484
   70    HD1  PHE   9           HD1      PHE   9   7.264   6.873   0.275
   71    HD2  PHE   9           HD2      PHE   9  10.709   4.365   0.622
   72    HE1  PHE   9           HE1      PHE   9   7.887   7.363  -2.149
   73    HE2  PHE   9           HE2      PHE   9  11.314   4.889  -1.798
   74    HZ   PHE   9           HZ       PHE   9   9.888   6.363  -3.098
   75    H    ILE  10           H        ILE  10   8.491   2.877   3.686
   76    HA   ILE  10           HA       ILE  10   7.865   0.548   2.422
   77    HB   ILE  10           HB       ILE  10   8.493   1.107   5.227
   78   HG12  ILE  10          HG12      ILE  10  10.253  -0.155   3.157
   79   HG13  ILE  10          HG13      ILE  10  10.125   1.591   3.226
   80   HG21  ILE  10          HG21      ILE  10   8.698  -1.734   4.129
   81   HG22  ILE  10          HG22      ILE  10   7.398  -1.196   5.225
   82   HG23  ILE  10          HG23      ILE  10   9.079  -1.173   5.764
   83   HD11  ILE  10          HD11      ILE  10  11.178  -0.116   5.546
   84   HD12  ILE  10          HD12      ILE  10  12.132   0.890   4.419
   85   HD13  ILE  10          HD13      ILE  10  10.989   1.658   5.536
   86    H    ASN  11           H        ASN  11   6.200   1.588   4.906
   87    HA   ASN  11           HA       ASN  11   3.994  -0.165   5.262
   88    HB2  ASN  11           HB2      ASN  11   4.578   1.725   6.861
   89    HB3  ASN  11           HB3      ASN  11   3.761   2.792   5.749
   90   HD21  ASN  11          HD21      ASN  11   1.516   0.433   8.291
   91   HD22  ASN  11          HD22      ASN  11   3.292   0.096   7.963
   92    H    ASN  12           H        ASN  12   4.249   1.827   2.452
   93    HA   ASN  12           HA       ASN  12   1.406   1.381   1.839
   94    HB2  ASN  12           HB2      ASN  12   2.427   3.801   1.678
   95    HB3  ASN  12           HB3      ASN  12   3.174   3.189   0.268
   96   HD21  ASN  12          HD21      ASN  12  -0.652   4.320   0.229
   97   HD22  ASN  12          HD22      ASN  12   0.566   4.113   1.623
   98    H    LYS  13           H        LYS  13   3.471   1.228  -0.343
   99    HA   LYS  13           HA       LYS  13   2.127  -0.782  -1.945
  100    HB2  LYS  13           HB2      LYS  13   4.882   0.360  -2.625
  101    HB3  LYS  13           HB3      LYS  13   3.845  -0.503  -3.713
  102    HG2  LYS  13           HG2      LYS  13   3.336   2.286  -2.581
  103    HG3  LYS  13           HG3      LYS  13   3.854   1.888  -4.201
  104    HD2  LYS  13           HD2      LYS  13   1.135   1.077  -2.992
  105    HD3  LYS  13           HD3      LYS  13   1.420   2.520  -3.951
  106    HE2  LYS  13           HE2      LYS  13   2.118   1.080  -5.940
  107    HE3  LYS  13           HE3      LYS  13   1.802  -0.377  -4.987
  108    HZ1  LYS  13           HZ1      LYS  13  -0.497   0.331  -4.778
  109    HZ2  LYS  13           HZ2      LYS  13  -0.057   0.220  -6.386
  110    HZ3  LYS  13           HZ3      LYS  13  -0.197   1.695  -5.697
  111    H    HIS  14           H        HIS  14   3.663  -1.733   0.356
  112    HA   HIS  14           HA       HIS  14   3.374  -4.159   1.108
  113    HB2  HIS  14           HB2      HIS  14   4.083  -5.049  -1.759
  114    HB3  HIS  14           HB3      HIS  14   3.952  -6.086  -0.365
  115    HD2  HIS  14           HD2      HIS  14   1.412  -6.426   0.764
  116    HE1  HIS  14           HE1      HIS  14  -0.686  -5.099  -2.574
  117    HE2  HIS  14           HE2      HIS  14  -0.997  -6.343  -0.345
  118    H    LEU  15           H        LEU  15   4.942  -2.989   2.282
  119    HA   LEU  15           HA       LEU  15   7.030  -2.167   2.870
  120    HB2  LEU  15           HB2      LEU  15   8.122  -4.694   1.468
  121    HB3  LEU  15           HB3      LEU  15   8.991  -3.674   2.574
  122    HG   LEU  15           HG       LEU  15   7.314  -4.330   4.472
  123   HD11  LEU  15          HD11      LEU  15   6.566  -6.534   2.327
  124   HD12  LEU  15          HD12      LEU  15   5.432  -5.400   3.068
  125   HD13  LEU  15          HD13      LEU  15   6.173  -6.665   4.044
  126   HD21  LEU  15          HD21      LEU  15   9.687  -5.306   4.214
  127   HD22  LEU  15          HD22      LEU  15   8.590  -6.568   4.791
  128   HD23  LEU  15          HD23      LEU  15   9.101  -6.541   3.098
  129    H    ASN  16           H        ASN  16   5.917  -0.852   0.588
  130    HA   ASN  16           HA       ASN  16   6.452   0.330  -1.329
  131    HB2  ASN  16           HB2      ASN  16   7.537   1.515   0.408
  132    HB3  ASN  16           HB3      ASN  16   9.036   0.819   0.042
  133   HD21  ASN  16          HD21      ASN  16   7.692   3.975  -2.031
  134   HD22  ASN  16          HD22      ASN  16   6.982   3.008  -0.617
  135    H    GLU  17           H        GLU  17   6.220  -1.503  -2.807
  136    HA   GLU  17           HA       GLU  17   6.712  -3.371  -3.952
  137    HB2  GLU  17           HB2      GLU  17   8.421  -1.236  -5.121
  138    HB3  GLU  17           HB3      GLU  17   7.871  -2.705  -5.916
  139    HG2  GLU  17           HG2      GLU  17   5.473  -2.094  -5.534
  140    HG3  GLU  17           HG3      GLU  17   5.971  -0.635  -4.749
  141    HE2  GLU  17           HE2      GLU  17   6.731   1.137  -7.633
  142    H    HIS  18           H        HIS  18   7.677  -4.560  -2.092
  143    HA   HIS  18           HA       HIS  18   9.229  -5.898  -1.024
  144    HB2  HIS  18           HB2      HIS  18   8.722  -6.970  -3.225
  145    HB3  HIS  18           HB3      HIS  18  10.211  -6.325  -3.877
  146    HD2  HIS  18           HD2      HIS  18  10.315  -9.130  -4.203
  147    HE1  HIS  18           HE1      HIS  18  11.817  -9.871  -0.389
  148    HE2  HIS  18           HE2      HIS  18  11.523 -10.983  -2.692
  149    H    ALA  19           H        ALA  19  10.209  -4.308   0.228
  150    HA   ALA  19           HA       ALA  19  13.093  -4.101  -0.027
  151    HB1  ALA  19           HB1      ALA  19  11.594  -1.414  -0.410
  152    HB2  ALA  19           HB2      ALA  19  12.625  -2.223  -1.613
  153    HB3  ALA  19           HB3      ALA  19  13.344  -1.587  -0.123
  154    H    HIS  20           H        HIS  20  13.067  -5.001   1.998
  155    HA   HIS  20           HA       HIS  20  11.597  -3.834   4.245
  156    HB2  HIS  20           HB2      HIS  20  12.122  -6.334   3.871
  157    HB3  HIS  20           HB3      HIS  20  13.744  -6.010   4.448
  158    HD2  HIS  20           HD2      HIS  20  12.611  -7.933   6.181
  159    HE1  HIS  20           HE1      HIS  20  10.647  -5.153   8.583
  160    HE2  HIS  20           HE2      HIS  20  11.390  -7.618   8.543
  161    HXT  HIS  20           HXT      HIS  20  12.354  -2.054   5.297
  Start of MODEL   23
    1    H1   SER   1           H1       SER   1  -4.070  -3.430  -6.465
    2    H2   SER   1           H2       SER   1  -5.382  -2.875  -6.572
    3    H3   SER   1           H3       SER   1  -3.888  -2.046  -6.161
    4    HA   SER   1           HA       SER   1  -5.210  -4.306  -4.715
    5    HB2  SER   1           HB2      SER   1  -3.000  -4.751  -5.830
    6    HB3  SER   1           HB3      SER   1  -2.304  -3.615  -4.662
    7    HG   SER   1           HG       SER   1  -3.158  -4.920  -2.995
    8    H    ASP   2           H        ASP   2  -6.056  -1.668  -4.268
    9    HA   ASP   2           HA       ASP   2  -5.428  -1.336  -1.411
   10    HB2  ASP   2           HB2      ASP   2  -6.171   1.149  -1.991
   11    HB3  ASP   2           HB3      ASP   2  -4.895   0.654  -3.088
   12    HD2  ASP   2           HD2      ASP   2  -5.432   0.182  -5.101
   13    H    THR   3           H        THR   3  -7.822  -2.632  -2.686
   14    HA   THR   3           HA       THR   3 -10.252  -2.540  -2.708
   15    HB   THR   3           HB       THR   3  -9.241  -4.271  -1.310
   16    HG1  THR   3           HG1      THR   3 -11.158  -4.750  -0.266
   17   HG21  THR   3          HG21      THR   3  -9.912  -2.431   1.065
   18   HG22  THR   3          HG22      THR   3  -9.469  -4.165   1.164
   19   HG23  THR   3          HG23      THR   3  -8.294  -2.973   0.561
   20    H    ARG   4           H        ARG   4  -9.317   0.296  -2.090
   21    HA   ARG   4           HA       ARG   4 -10.122   2.319  -1.409
   22    HB2  ARG   4           HB2      ARG   4 -12.809   1.048  -2.336
   23    HB3  ARG   4           HB3      ARG   4 -12.621   2.732  -1.929
   24    HG2  ARG   4           HG2      ARG   4 -12.334   2.871  -4.200
   25    HG3  ARG   4           HG3      ARG   4 -10.686   2.879  -3.654
   26    HD2  ARG   4           HD2      ARG   4 -10.617   0.255  -4.191
   27    HD3  ARG   4           HD3      ARG   4 -12.206   0.417  -4.889
   28    HE   ARG   4           HE       ARG   4 -10.911   2.392  -6.262
   29   HH11  ARG   4          HH11      ARG   4  -9.865  -0.939  -5.594
   30   HH12  ARG   4          HH12      ARG   4  -8.862  -0.976  -7.129
   31   HH21  ARG   4          HH21      ARG   4  -8.774   0.700  -8.409
   32   HH22  ARG   4          HH22      ARG   4  -9.696   2.240  -8.025
   33    H    TYR   5           H        TYR   5  -9.588   0.709   0.712
   34    HA   TYR   5           HA       TYR   5 -11.170   1.973   2.833
   35    HB2  TYR   5           HB2      TYR   5 -12.440  -0.066   2.523
   36    HB3  TYR   5           HB3      TYR   5 -10.970  -0.992   2.570
   37    HD1  TYR   5           HD1      TYR   5 -12.613   1.587   4.860
   38    HD2  TYR   5           HD2      TYR   5 -10.790  -2.302   4.544
   39    HE1  TYR   5           HE1      TYR   5 -12.950   1.223   7.266
   40    HE2  TYR   5           HE2      TYR   5 -11.148  -2.656   6.944
   41    HH   TYR   5           HH       TYR   5 -12.679  -0.161   8.981
   42    H    ASN   6           H        ASN   6  -8.362  -0.149   2.173
   43    HA   ASN   6           HA       ASN   6  -6.645   1.496   3.711
   44    HB2  ASN   6           HB2      ASN   6  -7.034  -1.103   5.323
   45    HB3  ASN   6           HB3      ASN   6  -5.848   0.130   5.636
   46   HD21  ASN   6          HD21      ASN   6  -8.075   2.296   7.443
   47   HD22  ASN   6          HD22      ASN   6  -6.555   2.235   6.415
   48    H    LYS   7           H        LYS   7  -6.881  -1.412   1.716
   49    HA   LYS   7           HA       LYS   7  -4.103  -2.148   2.243
   50    HB2  LYS   7           HB2      LYS   7  -6.079  -2.984   0.031
   51    HB3  LYS   7           HB3      LYS   7  -4.394  -3.426  -0.036
   52    HG2  LYS   7           HG2      LYS   7  -5.435  -5.257   1.003
   53    HG3  LYS   7           HG3      LYS   7  -4.525  -4.430   2.252
   54    HD2  LYS   7           HD2      LYS   7  -7.179  -3.374   2.526
   55    HD3  LYS   7           HD3      LYS   7  -7.433  -5.039   2.049
   56    HE2  LYS   7           HE2      LYS   7  -5.945  -5.793   3.981
   57    HE3  LYS   7           HE3      LYS   7  -5.688  -4.100   4.427
   58    HZ1  LYS   7           HZ1      LYS   7  -8.312  -5.462   4.371
   59    HZ2  LYS   7           HZ2      LYS   7  -7.430  -5.066   5.734
   60    HZ3  LYS   7           HZ3      LYS   7  -8.052  -3.870   4.808
   61    H    ASP   8           H        ASP   8  -5.087   0.656   0.390
   62    HA   ASP   8           HA       ASP   8  -2.520   0.847  -1.105
   63    HB2  ASP   8           HB2      ASP   8  -4.598   2.441  -1.351
   64    HB3  ASP   8           HB3      ASP   8  -3.955   3.211   0.091
   65    HD2  ASP   8           HD2      ASP   8  -1.987   4.132  -0.034
   66    H    PHE   9           H        PHE   9  -3.435   1.394   2.212
   67    HA   PHE   9           HA       PHE   9  -0.868   2.313   3.194
   68    HB2  PHE   9           HB2      PHE   9  -3.250   2.919   4.086
   69    HB3  PHE   9           HB3      PHE   9  -3.102   1.410   4.946
   70    HD1  PHE   9           HD1      PHE   9  -1.347   4.665   4.388
   71    HD2  PHE   9           HD2      PHE   9  -2.043   1.420   7.079
   72    HE1  PHE   9           HE1      PHE   9  -0.105   5.912   6.238
   73    HE2  PHE   9           HE2      PHE   9  -0.797   2.688   8.907
   74    HZ   PHE   9           HZ       PHE   9   0.126   4.883   8.427
   75    H    ILE  10           H        ILE  10  -1.289  -0.952   2.062
   76    HA   ILE  10           HA       ILE  10  -0.252  -2.402   4.228
   77    HB   ILE  10           HB       ILE  10   0.243  -2.993   1.355
   78   HG12  ILE  10          HG12      ILE  10  -1.814  -4.393   2.988
   79   HG13  ILE  10          HG13      ILE  10  -2.228  -2.865   2.269
   80   HG21  ILE  10          HG21      ILE  10   0.644  -5.392   2.070
   81   HG22  ILE  10          HG22      ILE  10   1.837  -4.322   2.802
   82   HG23  ILE  10          HG23      ILE  10   0.469  -4.903   3.773
   83   HD11  ILE  10          HD11      ILE  10  -1.116  -5.222   0.621
   84   HD12  ILE  10          HD12      ILE  10  -1.674  -3.654  -0.015
   85   HD13  ILE  10          HD13      ILE  10  -2.830  -4.785   0.735
   86    H    ASN  11           H        ASN  11   1.033  -0.730   4.800
   87    HA   ASN  11           HA       ASN  11   3.154   0.454   5.390
   88    HB2  ASN  11           HB2      ASN  11   3.565  -1.910   5.771
   89    HB3  ASN  11           HB3      ASN  11   4.338  -1.988   4.208
   90   HD21  ASN  11          HD21      ASN  11   6.374  -0.292   7.382
   91   HD22  ASN  11          HD22      ASN  11   4.580  -0.675   7.454
   92    H    ASN  12           H        ASN  12   1.845   1.077   2.457
   93    HA   ASN  12           HA       ASN  12   2.240   2.765   1.081
   94    HB2  ASN  12           HB2      ASN  12   3.725   3.879   2.568
   95    HB3  ASN  12           HB3      ASN  12   5.025   2.940   2.009
   96   HD21  ASN  12          HD21      ASN  12   3.993   6.298   0.122
   97   HD22  ASN  12          HD22      ASN  12   3.256   5.400   1.578
   98    H    LYS  13           H        LYS  13   1.558   0.710   0.110
   99    HA   LYS  13           HA       LYS  13   1.426  -0.642  -1.688
  100    HB2  LYS  13           HB2      LYS  13   3.637   0.972  -3.013
  101    HB3  LYS  13           HB3      LYS  13   2.545  -0.143  -3.814
  102    HG2  LYS  13           HG2      LYS  13   1.824   2.529  -2.498
  103    HG3  LYS  13           HG3      LYS  13   1.852   2.177  -4.212
  104    HD2  LYS  13           HD2      LYS  13  -0.159   1.086  -2.146
  105    HD3  LYS  13           HD3      LYS  13  -0.438   2.366  -3.313
  106    HE2  LYS  13           HE2      LYS  13  -0.179   0.728  -5.227
  107    HE3  LYS  13           HE3      LYS  13   0.116  -0.580  -4.073
  108    HZ1  LYS  13           HZ1      LYS  13  -2.356   1.032  -4.216
  109    HZ2  LYS  13           HZ2      LYS  13  -2.072  -0.216  -3.141
  110    HZ3  LYS  13           HZ3      LYS  13  -2.167  -0.544  -4.740
  111    H    HIS  14           H        HIS  14   2.048  -2.105  -0.131
  112    HA   HIS  14           HA       HIS  14   3.063  -4.129   0.552
  113    HB2  HIS  14           HB2      HIS  14   3.841  -4.354  -2.410
  114    HB3  HIS  14           HB3      HIS  14   4.090  -5.626  -1.237
  115    HD2  HIS  14           HD2      HIS  14   1.269  -3.928  -3.259
  116    HE1  HIS  14           HE1      HIS  14  -0.467  -7.173  -1.315
  117    HE2  HIS  14           HE2      HIS  14  -0.938  -5.396  -3.113
  118    H    LEU  15           H        LEU  15   4.332  -2.341   1.678
  119    HA   LEU  15           HA       LEU  15   6.315  -1.517   2.577
  120    HB2  LEU  15           HB2      LEU  15   7.544  -4.220   1.752
  121    HB3  LEU  15           HB3      LEU  15   8.206  -3.081   2.888
  122    HG   LEU  15           HG       LEU  15   6.160  -3.477   4.455
  123   HD11  LEU  15          HD11      LEU  15   4.532  -4.679   2.873
  124   HD12  LEU  15          HD12      LEU  15   5.044  -5.840   4.092
  125   HD13  LEU  15          HD13      LEU  15   5.746  -5.903   2.473
  126   HD21  LEU  15          HD21      LEU  15   8.488  -4.516   4.806
  127   HD22  LEU  15          HD22      LEU  15   7.247  -5.681   5.283
  128   HD23  LEU  15          HD23      LEU  15   8.089  -5.865   3.739
  129    H    ASN  16           H        ASN  16   5.794  -0.525   0.010
  130    HA   ASN  16           HA       ASN  16   6.745   0.594  -1.779
  131    HB2  ASN  16           HB2      ASN  16   7.504   1.803   0.131
  132    HB3  ASN  16           HB3      ASN  16   9.004   0.981   0.112
  133   HD21  ASN  16          HD21      ASN  16   8.498   4.190  -2.176
  134   HD22  ASN  16          HD22      ASN  16   7.354   3.294  -1.009
  135    H    GLU  17           H        GLU  17   6.564  -1.553  -2.949
  136    HA   GLU  17           HA       GLU  17   7.194  -3.437  -3.918
  137    HB2  GLU  17           HB2      GLU  17   9.121  -1.480  -5.049
  138    HB3  GLU  17           HB3      GLU  17   8.605  -3.014  -5.741
  139    HG2  GLU  17           HG2      GLU  17   6.207  -2.292  -5.732
  140    HG3  GLU  17           HG3      GLU  17   6.670  -0.767  -5.068
  141    HE2  GLU  17           HE2      GLU  17   7.219  -1.592  -8.995
  142    H    HIS  18           H        HIS  18   7.820  -4.487  -1.870
  143    HA   HIS  18           HA       HIS  18   9.135  -5.768  -0.472
  144    HB2  HIS  18           HB2      HIS  18   8.983  -6.988  -2.643
  145    HB3  HIS  18           HB3      HIS  18  10.575  -6.407  -3.079
  146    HD2  HIS  18           HD2      HIS  18  10.673  -9.228  -3.186
  147    HE1  HIS  18           HE1      HIS  18  11.502  -9.707   0.869
  148    HE2  HIS  18           HE2      HIS  18  11.572 -10.980  -1.368
  149    H    ALA  19           H        ALA  19   9.911  -4.107   0.814
  150    HA   ALA  19           HA       ALA  19  12.801  -3.920   1.043
  151    HB1  ALA  19           HB1      ALA  19  12.620  -2.136  -0.703
  152    HB2  ALA  19           HB2      ALA  19  11.405  -1.263   0.261
  153    HB3  ALA  19           HB3      ALA  19  13.080  -1.414   0.849
  154    H    HIS  20           H        HIS  20  12.373  -4.745   3.059
  155    HA   HIS  20           HA       HIS  20  10.563  -3.457   4.956
  156    HB2  HIS  20           HB2      HIS  20  11.032  -5.963   4.782
  157    HB3  HIS  20           HB3      HIS  20  12.555  -5.685   5.603
  158    HD2  HIS  20           HD2      HIS  20  11.067  -7.502   7.178
  159    HE1  HIS  20           HE1      HIS  20   8.919  -4.552   9.187
  160    HE2  HIS  20           HE2      HIS  20   9.526  -7.052   9.318
  161    HXT  HIS  20           HXT      HIS  20  14.062  -4.024   5.467
  Start of MODEL   24
    1    H1   SER   1           H1       SER   1  -6.700  -7.833   8.023
    2    H2   SER   1           H2       SER   1  -7.857  -8.085   7.224
    3    H3   SER   1           H3       SER   1  -6.440  -9.106   7.429
    4    HA   SER   1           HA       SER   1  -8.525  -8.422   9.452
    5    HB2  SER   1           HB2      SER   1  -8.308 -10.820   8.695
    6    HB3  SER   1           HB3      SER   1  -6.719 -10.799   9.481
    7    HG   SER   1           HG       SER   1  -7.778 -10.196  11.413
    8    H    ASP   2           H        ASP   2  -6.352  -6.650   8.938
    9    HA   ASP   2           HA       ASP   2  -5.540  -6.039  11.638
   10    HB2  ASP   2           HB2      ASP   2  -3.728  -7.926  10.926
   11    HB3  ASP   2           HB3      ASP   2  -3.072  -6.715   9.864
   12    HD2  ASP   2           HD2      ASP   2  -3.542  -7.749  12.978
   13    H    THR   3           H        THR   3  -6.950  -4.301  10.455
   14    HA   THR   3           HA       THR   3  -6.021  -2.708   8.637
   15    HB   THR   3           HB       THR   3  -7.587  -1.533  10.881
   16    HG1  THR   3           HG1      THR   3  -9.407  -2.569  10.019
   17   HG21  THR   3          HG21      THR   3  -8.906  -0.665   8.886
   18   HG22  THR   3          HG22      THR   3  -7.164  -0.235   8.759
   19   HG23  THR   3          HG23      THR   3  -7.814  -1.594   7.806
   20    H    ARG   4           H        ARG   4  -4.841  -2.202  11.981
   21    HA   ARG   4           HA       ARG   4  -3.582   0.334  11.453
   22    HB2  ARG   4           HB2      ARG   4  -2.292  -1.865  13.254
   23    HB3  ARG   4           HB3      ARG   4  -1.993  -0.153  13.380
   24    HG2  ARG   4           HG2      ARG   4  -4.569  -1.656  14.114
   25    HG3  ARG   4           HG3      ARG   4  -3.400  -1.004  15.217
   26    HD2  ARG   4           HD2      ARG   4  -3.989   1.399  14.515
   27    HD3  ARG   4           HD3      ARG   4  -5.093   0.827  13.298
   28    HE   ARG   4           HE       ARG   4  -5.498   0.861  16.238
   29   HH11  ARG   4          HH11      ARG   4  -8.424  -0.685  13.924
   30   HH12  ARG   4          HH12      ARG   4  -6.770  -0.412  13.175
   31   HH21  ARG   4          HH21      ARG   4  -7.470   0.506  17.012
   32   HH22  ARG   4          HH22      ARG   4  -8.790  -0.199  15.951
   33    H    TYR   5           H        TYR   5  -2.439  -2.829  10.643
   34    HA   TYR   5           HA       TYR   5   0.191  -2.023   9.627
   35    HB2  TYR   5           HB2      TYR   5  -0.230  -4.388  10.265
   36    HB3  TYR   5           HB3      TYR   5  -1.284  -4.529   8.877
   37    HD1  TYR   5           HD1      TYR   5  -0.350  -4.833   6.608
   38    HD2  TYR   5           HD2      TYR   5   2.258  -4.204   9.974
   39    HE1  TYR   5           HE1      TYR   5   1.556  -5.648   5.291
   40    HE2  TYR   5           HE2      TYR   5   4.154  -5.032   8.648
   41    HH   TYR   5           HH       TYR   5   3.733  -6.080   5.266
   42    H    ASN   6           H        ASN   6  -3.040  -2.278   8.150
   43    HA   ASN   6           HA       ASN   6  -2.020  -1.336   5.518
   44    HB2  ASN   6           HB2      ASN   6  -4.872  -2.254   5.907
   45    HB3  ASN   6           HB3      ASN   6  -4.014  -2.022   4.426
   46   HD21  ASN   6          HD21      ASN   6  -2.309  -5.241   4.536
   47   HD22  ASN   6          HD22      ASN   6  -2.134  -3.503   3.975
   48    H    LYS   7           H        LYS   7  -3.424   0.577   8.097
   49    HA   LYS   7           HA       LYS   7  -4.887   2.182   6.141
   50    HB2  LYS   7           HB2      LYS   7  -6.040   3.249   7.675
   51    HB3  LYS   7           HB3      LYS   7  -6.142   1.516   7.832
   52    HG2  LYS   7           HG2      LYS   7  -6.104   2.755   9.997
   53    HG3  LYS   7           HG3      LYS   7  -4.873   1.505   9.916
   54    HD2  LYS   7           HD2      LYS   7  -4.162   4.265   8.928
   55    HD3  LYS   7           HD3      LYS   7  -4.376   4.059  10.657
   56    HE2  LYS   7           HE2      LYS   7  -2.588   2.035   9.285
   57    HE3  LYS   7           HE3      LYS   7  -2.037   3.687   9.179
   58    HZ1  LYS   7           HZ1      LYS   7  -1.149   2.598  11.137
   59    HZ2  LYS   7           HZ2      LYS   7  -2.681   2.299  11.736
   60    HZ3  LYS   7           HZ3      LYS   7  -2.154   3.842  11.621
   61    H    ASP   8           H        ASP   8  -1.857   2.184   6.425
   62    HA   ASP   8           HA       ASP   8  -1.391   5.200   6.073
   63    HB2  ASP   8           HB2      ASP   8  -0.129   3.943   7.916
   64    HB3  ASP   8           HB3      ASP   8   0.660   3.073   6.608
   65    HD2  ASP   8           HD2      ASP   8   0.080   6.104   7.990
   66    H    PHE   9           H        PHE   9  -2.802   3.981   4.133
   67    HA   PHE   9           HA       PHE   9  -3.038   3.561   1.843
   68    HB2  PHE   9           HB2      PHE   9  -1.670   5.484   1.824
   69    HB3  PHE   9           HB3      PHE   9  -0.232   4.500   1.725
   70    HD1  PHE   9           HD1      PHE   9   0.689   4.245  -0.423
   71    HD2  PHE   9           HD2      PHE   9  -3.518   4.919  -0.082
   72    HE1  PHE   9           HE1      PHE   9   0.498   4.455  -2.958
   73    HE2  PHE   9           HE2      PHE   9  -3.684   5.080  -2.624
   74    HZ   PHE   9           HZ       PHE   9  -1.674   4.844  -3.970
   75    H    ILE  10           H        ILE  10  -2.976   0.910   3.282
   76    HA   ILE  10           HA       ILE  10  -2.146  -1.008   3.597
   77    HB   ILE  10           HB       ILE  10  -2.337  -0.472   0.712
   78   HG12  ILE  10          HG12      ILE  10  -4.308  -2.171   2.120
   79   HG13  ILE  10          HG13      ILE  10  -4.290  -0.505   2.639
   80   HG21  ILE  10          HG21      ILE  10  -2.672  -2.956   0.237
   81   HG22  ILE  10          HG22      ILE  10  -2.047  -3.310   1.864
   82   HG23  ILE  10          HG23      ILE  10  -1.001  -2.557   0.638
   83   HD11  ILE  10          HD11      ILE  10  -4.625   0.350   0.359
   84   HD12  ILE  10          HD12      ILE  10  -5.945  -0.722   0.883
   85   HD13  ILE  10          HD13      ILE  10  -4.716  -1.320  -0.278
   86    H    ASN  11           H        ASN  11  -0.287  -0.180   4.783
   87    HA   ASN  11           HA       ASN  11   1.998   0.015   5.382
   88    HB2  ASN  11           HB2      ASN  11   1.428  -2.387   5.233
   89    HB3  ASN  11           HB3      ASN  11   2.233  -2.410   3.691
   90   HD21  ASN  11          HD21      ASN  11   4.528  -2.033   7.130
   91   HD22  ASN  11          HD22      ASN  11   2.767  -1.508   7.075
   92    H    ASN  12           H        ASN  12   1.352   1.755   2.723
   93    HA   ASN  12           HA       ASN  12   2.481   3.010   1.258
   94    HB2  ASN  12           HB2      ASN  12   3.799   3.598   3.174
   95    HB3  ASN  12           HB3      ASN  12   4.908   2.361   2.822
   96   HD21  ASN  12          HD21      ASN  12   5.287   5.945   1.124
   97   HD22  ASN  12          HD22      ASN  12   3.999   5.229   2.267
   98    H    LYS  13           H        LYS  13   1.532   1.039   0.031
   99    HA   LYS  13           HA       LYS  13   1.636  -0.411  -1.763
  100    HB2  LYS  13           HB2      LYS  13   4.140   1.174  -2.533
  101    HB3  LYS  13           HB3      LYS  13   3.356   0.021  -3.587
  102    HG2  LYS  13           HG2      LYS  13   2.107   2.621  -2.547
  103    HG3  LYS  13           HG3      LYS  13   2.754   2.355  -4.149
  104    HD2  LYS  13           HD2      LYS  13   0.265   0.965  -2.968
  105    HD3  LYS  13           HD3      LYS  13   0.270   2.318  -4.086
  106    HE2  LYS  13           HE2      LYS  13   1.398   0.882  -5.859
  107    HE3  LYS  13           HE3      LYS  13   1.348  -0.502  -4.757
  108    HZ1  LYS  13           HZ1      LYS  13  -0.512  -0.500  -6.251
  109    HZ2  LYS  13           HZ2      LYS  13  -1.028   0.996  -5.711
  110    HZ3  LYS  13           HZ3      LYS  13  -1.071  -0.280  -4.691
  111    H    HIS  14           H        HIS  14   2.256  -1.681   0.369
  112    HA   HIS  14           HA       HIS  14   3.239  -3.638   1.260
  113    HB2  HIS  14           HB2      HIS  14   3.553  -4.448  -1.688
  114    HB3  HIS  14           HB3      HIS  14   3.780  -5.524  -0.328
  115    HD2  HIS  14           HD2      HIS  14   1.545  -6.091   1.271
  116    HE1  HIS  14           HE1      HIS  14  -1.239  -5.111  -1.660
  117    HE2  HIS  14           HE2      HIS  14  -1.012  -6.325   0.595
  118    H    LEU  15           H        LEU  15   4.818  -1.987   1.969
  119    HA   LEU  15           HA       LEU  15   6.965  -1.236   2.435
  120    HB2  LEU  15           HB2      LEU  15   7.965  -3.995   1.500
  121    HB3  LEU  15           HB3      LEU  15   8.822  -2.830   2.470
  122    HG   LEU  15           HG       LEU  15   7.004  -3.170   4.351
  123   HD11  LEU  15          HD11      LEU  15   5.257  -4.543   3.023
  124   HD12  LEU  15          HD12      LEU  15   5.967  -5.595   4.245
  125   HD13  LEU  15          HD13      LEU  15   6.480  -5.730   2.560
  126   HD21  LEU  15          HD21      LEU  15   9.413  -4.088   4.420
  127   HD22  LEU  15          HD22      LEU  15   8.303  -5.280   5.119
  128   HD23  LEU  15          HD23      LEU  15   8.934  -5.507   3.480
  129    H    ASN  16           H        ASN  16   5.988  -0.350  -0.053
  130    HA   ASN  16           HA       ASN  16   6.611   0.614  -2.061
  131    HB2  ASN  16           HB2      ASN  16   7.731   1.903  -0.328
  132    HB3  ASN  16           HB3      ASN  16   9.188   1.076  -0.650
  133   HD21  ASN  16          HD21      ASN  16   8.156   4.233  -2.841
  134   HD22  ASN  16          HD22      ASN  16   7.296   3.340  -1.448
  135    H    GLU  17           H        GLU  17   6.301  -1.695  -2.979
  136    HA   GLU  17           HA       GLU  17   6.825  -3.629  -3.885
  137    HB2  GLU  17           HB2      GLU  17   8.501  -1.771  -5.484
  138    HB3  GLU  17           HB3      GLU  17   7.908  -3.366  -5.935
  139    HG2  GLU  17           HG2      GLU  17   5.534  -2.659  -5.606
  140    HG3  GLU  17           HG3      GLU  17   6.059  -1.076  -5.161
  141    HE2  GLU  17           HE2      GLU  17   6.745   0.039  -8.384
  142    H    HIS  18           H        HIS  18   7.764  -4.569  -1.923
  143    HA   HIS  18           HA       HIS  18   9.233  -5.757  -0.683
  144    HB2  HIS  18           HB2      HIS  18   9.107  -6.976  -2.816
  145    HB3  HIS  18           HB3      HIS  18  10.600  -6.245  -3.351
  146    HD2  HIS  18           HD2      HIS  18  10.970  -9.045  -3.470
  147    HE1  HIS  18           HE1      HIS  18  12.127  -9.411   0.515
  148    HE2  HIS  18           HE2      HIS  18  12.171 -10.684  -1.724
  149    H    ALA  19           H        ALA  19  10.094  -4.489   0.736
  150    HA   ALA  19           HA       ALA  19  11.787  -3.615   2.062
  151    HB1  ALA  19           HB1      ALA  19  13.464  -5.152   1.090
  152    HB2  ALA  19           HB2      ALA  19  14.170  -3.585   1.527
  153    HB3  ALA  19           HB3      ALA  19  13.857  -3.966  -0.179
  154    H    HIS  20           H        HIS  20  11.154  -1.626   2.469
  155    HA   HIS  20           HA       HIS  20  11.126   0.558   0.545
  156    HB2  HIS  20           HB2      HIS  20   9.486   0.188   2.463
  157    HB3  HIS  20           HB3      HIS  20  10.716   0.736   3.582
  158    HD2  HIS  20           HD2      HIS  20   8.458   2.396   3.930
  159    HE1  HIS  20           HE1      HIS  20   9.467   5.018   0.859
  160    HE2  HIS  20           HE2      HIS  20   7.948   4.819   2.926
  161    HXT  HIS  20           HXT      HIS  20  12.979   1.618  -0.018