*HEADER    CELL INVASION                           10-MAY-17   5VR5              
*TITLE     PEPTIDE 38142 MODIFIED FROM FRAGMENT 41-60 OF PLASMODIUM FALCIPARUM   
*TITLE    2 THROMBOSPONDIN-RELATED SPOROZOITE PROTEIN (TRSP)                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THROMBOSPONDIN-RELATED SPOROZOITE PROTEIN (TRSP);          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PEPTIDE 38142;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
*SOURCE   3 ORGANISM_TAXID: 5833;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    MODIFIED PEPTIDE, CHEMICALLY SYNTHESIZED, TRSP, ALPHA HELIX RESIDUES  
*KEYWDS   2 7-10, CELL INVASION                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    11                                                                    
*AUTHOR    A.BERMUDEZ,M.E.PATARROYO                                              
*REVDAT   1   19-SEP-18 5VR5    0                                                
# Restraints file 1: pep38141.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:LEU_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:ASN_11:O         1:LEU_15:HN         1.800  2.500 30.00 30.00 1000.000
1:SER_1:O          1:TYR_5: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          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:ASN_6:HN         1:ASN_6:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
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          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
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:LEU_14:HN        1:LEU_14:HA         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
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          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
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         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
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          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:THR_3:HN         1:THR_3:HG2*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
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*         1.800  6.200  2.800 30.00 30.00 1000.000  0.00 !strong
1:ARG_4:HB*        1:ARG_4:HG*         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:TYR_5:HN         1:TYR_5:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
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          2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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:HN         1:ASN_6:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ASN_6:HN         1:ASN_6:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_6:HBS        1:ASN_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_6:HBR        1:ASN_6:HA          2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_6:HD22       1:ASN_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_6:HD22       1:ASN_6:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_6:HD22       1:ASN_6:HBR         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
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          2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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  5.500  3.500 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          2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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*         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
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  5.500  3.500 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*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_10:HB        1:ILE_10:HG1R       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
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         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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_12:HN        1:ASN_12:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ASN_12:HN        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:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HD22      1:ASN_12:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_12:HD22      1:ASN_12:HBS        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*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LYS_13:HN        1:LYS_13:HD*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
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_14:HN        1:LEU_14:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_14:HN        1:LEU_14:HBS        1.800  2.800  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*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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*       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_15:HG        1:LEU_15:HDS*       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
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        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
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         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_16:HD22      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:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HN        1:GLU_17:HBS        2.800  5.500  3.500 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         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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  5.500  3.500 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          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
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          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:   
1:LYS_7:HN         1:ASP_8:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HN         1:PHE_9:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
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         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_13:HN        1:LEU_14:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_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          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
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          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:TYR_5:HN         1:ARG_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_6:HN         1:TYR_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_7:HN         1:ASN_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:      
1:ASP_8:HN         1:LYS_7:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:      
1:PHE_9:HN         1:ASP_8:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:ILE_10:HN        1:PHE_9:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:            
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         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:LYS_13:HN        1:ASN_12:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_14:HN        1:LYS_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:LEU_15:HN        1:LEU_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
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:THR_3:HN         1:SER_1:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:TYR_5:HN         1:THR_3:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_6:HN         1:ARG_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_7:HN         1:TYR_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:PHE_9:HN         1:LYS_7:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_11:HN        1:PHE_9:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:ILE_10:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_14:HN        1:ASN_12:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HN        1:LEU_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_10:HN        1:LYS_7:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LYS_13:HN        1:ILE_10:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HN        1:ASN_12:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_16:HN        1:LYS_13:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HBS       1:LYS_13:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HBR       1:LYS_13:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ALA_19:HN        1:ASN_16:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:PHE_9:HN         1:TYR_5:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:ASP_8:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_14:HN        1:ILE_10:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_18:HN        1:LEU_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_7:HB*        1:ILE_10:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HB*       1:ALA_19:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:THR_3:HN         1:SER_1:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:PHE_9:HN         1:LYS_7:HN          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_18:HN        1:ASN_16:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
!
#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:LEU_14:N         1:LEU_14:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_14:CA        1:LEU_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           H        SER   1 -13.257  -2.394   0.934
    2    HA   SER   1           HA       SER   1 -10.519  -1.513   1.632
    3    HB2  SER   1           HB2      SER   1 -10.510  -4.046   1.779
    4    HB3  SER   1           HB3      SER   1 -11.120  -4.122   0.111
    5    HG   SER   1           HG       SER   1  -9.201  -3.011  -0.517
    6    H    ASP   2           H        ASP   2 -12.825  -2.104  -1.015
    7    HA   ASP   2           HA       ASP   2 -11.135  -0.569  -2.871
    8    HB2  ASP   2           HB3      ASP   2 -13.065  -1.226  -4.549
    9    HB3  ASP   2           HB2      ASP   2 -12.533  -2.660  -3.717
   10    HD2  ASP   2           HD2      ASP   2 -14.889  -0.298  -4.076
   11    H    THR   3           H        THR   3 -12.382   0.687  -0.516
   12    HA   THR   3           HA       THR   3 -13.440   3.166  -1.805
   13    HB   THR   3           HB       THR   3 -14.706   3.461   0.360
   14    HG1  THR   3           HG1      THR   3 -13.513   2.032   1.600
   15   HG21  THR   3          HG21      THR   3 -15.958   2.563  -1.637
   16   HG22  THR   3          HG22      THR   3 -15.581   0.903  -1.109
   17   HG23  THR   3          HG23      THR   3 -16.611   1.942  -0.095
   18    H    ARG   4           H        ARG   4 -10.868   2.862  -1.703
   19    HA   ARG   4           HA       ARG   4  -8.848   3.833  -1.098
   20    HB2  ARG   4           HB2      ARG   4 -10.474   5.913   0.530
   21    HB3  ARG   4           HB3      ARG   4  -8.822   6.084   0.101
   22    HG2  ARG   4           HG2      ARG   4 -11.113   5.912  -2.071
   23    HG3  ARG   4           HG3      ARG   4 -10.481   7.411  -1.509
   24    HD2  ARG   4           HD3      ARG   4  -8.811   5.250  -2.948
   25    HD3  ARG   4           HD2      ARG   4  -9.617   6.609  -3.713
   26    HE   ARG   4           HE       ARG   4  -7.637   7.194  -1.514
   27   HH11  ARG   4          HH11      ARG   4  -5.637   9.017  -3.679
   28   HH12  ARG   4          HH12      ARG   4  -5.973   8.468  -1.960
   29   HH21  ARG   4          HH21      ARG   4  -8.309   7.306  -4.998
   30   HH22  ARG   4          HH22      ARG   4  -6.868   8.406  -5.282
   31    H    TYR   5           H        TYR   5  -9.813   1.712   0.508
   32    HA   TYR   5           HA       TYR   5  -7.803   2.015   2.809
   33    HB2  TYR   5           HB2      TYR   5 -10.451   2.068   3.278
   34    HB3  TYR   5           HB3      TYR   5 -10.414   0.371   2.929
   35    HD1  TYR   5           HD1      TYR   5  -9.060   3.052   5.192
   36    HD2  TYR   5           HD2      TYR   5  -9.557  -1.194   4.691
   37    HE1  TYR   5           HE1      TYR   5  -8.411   2.690   7.533
   38    HE2  TYR   5           HE2      TYR   5  -8.912  -1.540   7.033
   39    HH   TYR   5           HH       TYR   5  -8.068   1.204   9.147
   40    H    ASN   6           H        ASN   6  -7.057   1.127   0.335
   41    HA   ASN   6           HA       ASN   6  -6.282  -1.788   0.939
   42    HB2  ASN   6           HB2      ASN   6  -7.593  -1.197  -1.201
   43    HB3  ASN   6           HB3      ASN   6  -6.221  -0.264  -1.744
   44   HD21  ASN   6          HD21      ASN   6  -6.032  -4.385  -1.958
   45   HD22  ASN   6          HD22      ASN   6  -7.334  -3.536  -0.981
   46    H    LYS   7           H        LYS   7  -4.976  -0.226   2.592
   47    HA   LYS   7           HA       LYS   7  -2.911   0.257   3.417
   48    HB2  LYS   7           HB3      LYS   7  -1.715  -1.112   0.964
   49    HB3  LYS   7           HB2      LYS   7  -0.826  -0.606   2.384
   50    HG2  LYS   7           HG3      LYS   7  -3.044  -2.733   2.334
   51    HG3  LYS   7           HG2      LYS   7  -1.325  -3.061   2.349
   52    HD2  LYS   7           HD2      LYS   7  -2.957  -1.743   4.601
   53    HD3  LYS   7           HD3      LYS   7  -2.400  -3.397   4.580
   54    HE2  LYS   7           HE3      LYS   7  -0.580  -0.899   4.729
   55    HE3  LYS   7           HE2      LYS   7  -1.034  -1.919   6.087
   56    HZ1  LYS   7           HZ1      LYS   7   0.106  -3.778   5.015
   57    HZ2  LYS   7           HZ2      LYS   7   0.536  -2.840   3.746
   58    HZ3  LYS   7           HZ3      LYS   7   1.131  -2.481   5.267
   59    H    ASP   8           H        ASP   8  -3.705   2.312   3.211
   60    HA   ASP   8           HA       ASP   8  -4.028   4.554   2.279
   61    HB2  ASP   8           HB3      ASP   8  -2.339   4.514   3.921
   62    HB3  ASP   8           HB2      ASP   8  -1.173   3.912   2.760
   63    HD2  ASP   8           HD2      ASP   8  -2.329   7.832   2.516
   64    H    PHE   9           H        PHE   9  -4.633   2.946   0.172
   65    HA   PHE   9           HA       PHE   9  -4.742   2.692  -2.082
   66    HB2  PHE   9           HB2      PHE   9  -5.424   5.069  -1.666
   67    HB3  PHE   9           HB3      PHE   9  -3.846   5.625  -2.189
   68    HD1  PHE   9           HD1      PHE   9  -3.487   6.007  -4.567
   69    HD2  PHE   9           HD2      PHE   9  -6.847   3.612  -3.343
   70    HE1  PHE   9           HE1      PHE   9  -4.350   6.022  -6.869
   71    HE2  PHE   9           HE2      PHE   9  -7.696   3.639  -5.651
   72    HZ   PHE   9           HZ       PHE   9  -6.452   4.842  -7.417
   73    H    ILE  10           H        ILE  10  -2.503   1.387  -1.111
   74    HA   ILE  10           HA       ILE  10  -0.312   0.593  -1.574
   75    HB   ILE  10           HB       ILE  10  -2.179   0.664  -3.883
   76   HG12  ILE  10          HG12      ILE  10  -0.297  -1.566  -3.028
   77   HG13  ILE  10          HG11      ILE  10  -1.829  -1.140  -2.256
   78   HG21  ILE  10          HG21      ILE  10  -0.373   1.700  -5.227
   79   HG22  ILE  10          HG22      ILE  10   0.611   0.239  -4.984
   80   HG23  ILE  10          HG23      ILE  10  -0.942   0.134  -5.808
   81   HD11  ILE  10          HD11      ILE  10  -3.052  -1.606  -4.431
   82   HD12  ILE  10          HD12      ILE  10  -1.506  -2.107  -5.171
   83   HD13  ILE  10          HD13      ILE  10  -2.175  -3.021  -3.801
   84    H    ASN  11           H        ASN  11  -0.406   3.203  -1.026
   85    HA   ASN  11           HA       ASN  11   2.314   4.157  -1.673
   86    HB2  ASN  11           HB2      ASN  11   0.376   5.812  -1.524
   87    HB3  ASN  11           HB3      ASN  11   0.210   5.422   0.176
   88   HD21  ASN  11          HD21      ASN  11   3.295   7.904  -0.969
   89   HD22  ASN  11          HD22      ASN  11   2.359   6.913  -2.198
   90    H    ASN  12           H        ASN  12   0.465   3.640   1.419
   91    HA   ASN  12           HA       ASN  12   2.704   2.608   2.809
   92    HB2  ASN  12           HB2      ASN  12   0.633   3.575   3.869
   93    HB3  ASN  12           HB3      ASN  12  -0.183   2.036   3.622
   94   HD21  ASN  12          HD21      ASN  12   2.618   2.425   6.635
   95   HD22  ASN  12          HD22      ASN  12   2.460   3.663   5.287
   96    H    LYS  13           H        LYS  13   2.549   1.164   0.214
   97    HA   LYS  13           HA       LYS  13   1.769  -1.514  -0.333
   98    HB2  LYS  13           HB2      LYS  13   4.517  -0.324  -0.437
   99    HB3  LYS  13           HB3      LYS  13   3.987  -1.759  -1.269
  100    HG2  LYS  13           HG3      LYS  13   3.032   1.083  -1.819
  101    HG3  LYS  13           HG2      LYS  13   4.398   0.311  -2.584
  102    HD2  LYS  13           HD2      LYS  13   1.510  -0.565  -2.784
  103    HD3  LYS  13           HD3      LYS  13   2.478   0.269  -4.008
  104    HE2  LYS  13           HE2      LYS  13   3.975  -1.756  -4.247
  105    HE3  LYS  13           HE3      LYS  13   2.968  -2.638  -3.086
  106    HZ1  LYS  13           HZ1      LYS  13   1.085  -2.330  -4.581
  107    HZ2  LYS  13           HZ2      LYS  13   2.012  -1.521  -5.657
  108    HZ3  LYS  13           HZ3      LYS  13   2.350  -3.125  -5.330
  109    H    LEU  14           H        LEU  14   3.155  -0.696   2.095
  110    HA   LEU  14           HA       LEU  14   5.141  -0.533   3.842
  111    HB2  LEU  14           HB3      LEU  14   3.805  -2.459   4.453
  112    HB3  LEU  14           HB2      LEU  14   4.487  -3.396   3.175
  113    HG   LEU  14           HG       LEU  14   6.799  -3.275   4.285
  114   HD11  LEU  14          HD11      LEU  14   6.963  -2.586   6.695
  115   HD12  LEU  14          HD12      LEU  14   5.272  -2.024   6.669
  116   HD13  LEU  14          HD13      LEU  14   6.505  -1.211   5.675
  117   HD21  LEU  14          HD21      LEU  14   6.309  -4.971   6.043
  118   HD22  LEU  14          HD22      LEU  14   5.353  -5.282   4.583
  119   HD23  LEU  14          HD23      LEU  14   4.578  -4.546   6.009
  120    H    LEU  15           H        LEU  15   5.384   0.968   1.483
  121    HA   LEU  15           HA       LEU  15   6.998   1.390  -0.043
  122    HB2  LEU  15           HB2      LEU  15   8.910   0.305   2.079
  123    HB3  LEU  15           HB3      LEU  15   9.450   1.196   0.689
  124    HG   LEU  15           HG       LEU  15   7.298   2.596   2.403
  125   HD11  LEU  15          HD11      LEU  15   8.643   1.597   4.082
  126   HD12  LEU  15          HD12      LEU  15   8.839   3.364   4.030
  127   HD13  LEU  15          HD13      LEU  15  10.136   2.293   3.370
  128   HD21  LEU  15          HD21      LEU  15   8.509   4.611   1.777
  129   HD22  LEU  15          HD22      LEU  15   8.131   3.668   0.320
  130   HD23  LEU  15          HD23      LEU  15   9.793   3.658   0.974
  131    H    ASN  16           H        ASN  16   5.976  -1.432   0.220
  132    HA   ASN  16           HA       ASN  16   5.675  -3.377  -0.801
  133    HB2  ASN  16           HB2      ASN  16   5.356  -2.901  -2.677
  134    HB3  ASN  16           HB3      ASN  16   6.157  -1.467  -2.671
  135   HD21  ASN  16          HD21      ASN  16   7.851  -4.870  -4.486
  136   HD22  ASN  16          HD22      ASN  16   6.608  -4.896  -3.116
  137    H    GLU  17           H        GLU  17   6.215  -4.603   0.713
  138    HA   GLU  17           HA       GLU  17   7.375  -5.315   2.643
  139    HB2  GLU  17           HB2      GLU  17   8.350  -6.607   0.152
  140    HB3  GLU  17           HB3      GLU  17   8.696  -7.296   1.751
  141    HG2  GLU  17           HG2      GLU  17   6.024  -7.157   2.036
  142    HG3  GLU  17           HG3      GLU  17   5.984  -6.940   0.303
  143    HE2  GLU  17           HE2      GLU  17   6.851 -10.186  -0.536
  144    H    HIS  18           H        HIS  18   8.247  -2.849   2.747
  145    HA   HIS  18           HA       HIS  18  10.016  -1.434   3.153
  146    HB2  HIS  18           HB2      HIS  18  10.253  -3.273   4.876
  147    HB3  HIS  18           HB3      HIS  18  11.668  -3.861   4.000
  148    HD2  HIS  18           HD2      HIS  18  12.522  -3.156   6.610
  149    HE1  HIS  18           HE2      HIS  18  13.174   0.851   5.663
  150    HE2  HIS  18           HE3      HIS  18  13.741  -0.918   7.448
  151    H    ALA  19           H        ALA  19   9.659  -1.966   0.534
  152    HA   ALA  19           HA       ALA  19  10.389  -1.719  -1.579
  153    HB1  ALA  19           HB1      ALA  19  11.323   0.432  -0.735
  154    HB2  ALA  19           HB2      ALA  19  12.347  -0.209  -2.034
  155    HB3  ALA  19           HB3      ALA  19  12.879  -0.341  -0.340
  156    H    HIS  20           H        HIS  20  10.579  -3.687  -2.375
  157    HA   HIS  20           HA       HIS  20  12.843  -5.465  -1.989
  158    HB2  HIS  20           HB3      HIS  20  10.403  -6.126  -2.421
  159    HB3  HIS  20           HB2      HIS  20  10.635  -5.711  -4.107
  160    HD2  HIS  20           HD2      HIS  20   9.836  -8.414  -4.029
  161    HE1  HIS  20           HE2      HIS  20  13.679  -9.899  -3.409
  162    HE2  HIS  20           HE3      HIS  20  11.321 -10.637  -4.135
  163    HXT  HIS  20           HXT      HIS  20  14.777  -5.128  -3.001
  Start of MODEL    2
    1    H1   SER   1           H        SER   1 -12.510  -3.362   0.651
    2    HA   SER   1           HA       SER   1  -9.800  -2.305   1.125
    3    HB2  SER   1           HB2      SER   1  -9.676  -4.710   1.909
    4    HB3  SER   1           HB3      SER   1 -10.331  -5.233   0.342
    5    HG   SER   1           HG       SER   1  -8.053  -5.365   0.484
    6    H    ASP   2           H        ASP   2 -12.090  -3.608  -1.211
    7    HA   ASP   2           HA       ASP   2 -10.443  -2.566  -3.477
    8    HB2  ASP   2           HB3      ASP   2 -11.615  -4.999  -3.552
    9    HB3  ASP   2           HB2      ASP   2 -13.103  -4.107  -3.763
   10    HD2  ASP   2           HD2      ASP   2 -10.261  -4.287  -6.669
   11    H    THR   3           H        THR   3 -11.614  -0.809  -1.598
   12    HA   THR   3           HA       THR   3 -12.902   1.105  -3.454
   13    HB   THR   3           HB       THR   3 -14.883   0.061  -2.580
   14    HG1  THR   3           HG1      THR   3 -14.819   2.276  -2.984
   15   HG21  THR   3          HG21      THR   3 -14.076   0.930   0.264
   16   HG22  THR   3          HG22      THR   3 -14.148  -0.751  -0.328
   17   HG23  THR   3          HG23      THR   3 -15.634   0.227  -0.239
   18    H    ARG   4           H        ARG   4 -10.529   1.360  -3.081
   19    HA   ARG   4           HA       ARG   4  -8.735   2.638  -2.428
   20    HB2  ARG   4           HB2      ARG   4 -10.839   4.664  -1.364
   21    HB3  ARG   4           HB3      ARG   4  -9.172   5.014  -1.546
   22    HG2  ARG   4           HG3      ARG   4  -9.739   5.821  -3.720
   23    HG3  ARG   4           HG2      ARG   4  -9.582   4.170  -4.197
   24    HD2  ARG   4           HD3      ARG   4 -11.626   5.024  -5.112
   25    HD3  ARG   4           HD2      ARG   4 -12.050   3.794  -3.928
   26    HE   ARG   4           HE       ARG   4 -12.038   6.529  -2.804
   27   HH11  ARG   4          HH11      ARG   4 -15.583   5.047  -4.041
   28   HH12  ARG   4          HH12      ARG   4 -14.046   4.206  -4.585
   29   HH21  ARG   4          HH21      ARG   4 -13.897   7.436  -2.222
   30   HH22  ARG   4          HH22      ARG   4 -15.502   6.753  -2.792
   31    H    TYR   5           H        TYR   5  -9.472   0.645  -0.565
   32    HA   TYR   5           HA       TYR   5  -7.700   1.650   1.718
   33    HB2  TYR   5           HB3      TYR   5 -10.380   1.435   2.045
   34    HB3  TYR   5           HB2      TYR   5 -10.088  -0.266   2.075
   35    HD1  TYR   5           HD1      TYR   5  -8.999  -1.268   4.154
   36    HD2  TYR   5           HD2      TYR   5  -9.401   3.000   3.762
   37    HE1  TYR   5           HE1      TYR   5  -8.469  -0.994   6.532
   38    HE2  TYR   5           HE2      TYR   5  -8.863   3.260   6.144
   39    HH   TYR   5           HH       TYR   5  -8.180   0.433   8.209
   40    H    ASN   6           H        ASN   6  -6.667   0.461  -0.489
   41    HA   ASN   6           HA       ASN   6  -5.773  -2.287   0.567
   42    HB2  ASN   6           HB3      ASN   6  -6.767  -2.017  -1.803
   43    HB3  ASN   6           HB2      ASN   6  -5.345  -1.097  -2.240
   44   HD21  ASN   6          HD21      ASN   6  -5.059  -5.201  -1.871
   45   HD22  ASN   6          HD22      ASN   6  -6.522  -4.279  -1.259
   46    H    LYS   7           H        LYS   7  -4.823  -0.474   2.203
   47    HA   LYS   7           HA       LYS   7  -2.979   0.144   3.286
   48    HB2  LYS   7           HB3      LYS   7  -1.294  -1.265   1.191
   49    HB3  LYS   7           HB2      LYS   7  -0.668  -0.562   2.675
   50    HG2  LYS   7           HG2      LYS   7  -2.716  -2.853   2.495
   51    HG3  LYS   7           HG3      LYS   7  -1.011  -3.048   2.823
   52    HD2  LYS   7           HD3      LYS   7  -3.084  -1.670   4.633
   53    HD3  LYS   7           HD2      LYS   7  -2.432  -3.267   4.868
   54    HE2  LYS   7           HE2      LYS   7  -0.775  -0.652   5.053
   55    HE3  LYS   7           HE3      LYS   7  -1.469  -1.512   6.419
   56    HZ1  LYS   7           HZ1      LYS   7   0.815  -2.083   6.155
   57    HZ2  LYS   7           HZ2      LYS   7  -0.100  -3.416   5.914
   58    HZ3  LYS   7           HZ3      LYS   7   0.565  -2.630   4.597
   59    H    ASP   8           H        ASP   8  -3.672   2.067   3.096
   60    HA   ASP   8           HA       ASP   8  -4.048   4.328   2.285
   61    HB2  ASP   8           HB3      ASP   8  -2.299   4.327   3.827
   62    HB3  ASP   8           HB2      ASP   8  -1.151   3.716   2.652
   63    HD2  ASP   8           HD2      ASP   8   0.034   6.949   2.686
   64    H    PHE   9           H        PHE   9  -4.810   2.832   0.137
   65    HA   PHE   9           HA       PHE   9  -4.963   2.620  -2.160
   66    HB2  PHE   9           HB2      PHE   9  -5.672   4.954  -1.650
   67    HB3  PHE   9           HB3      PHE   9  -4.092   5.564  -2.098
   68    HD1  PHE   9           HD1      PHE   9  -7.076   3.677  -3.455
   69    HD2  PHE   9           HD2      PHE   9  -3.608   6.024  -4.445
   70    HE1  PHE   9           HE1      PHE   9  -7.829   3.822  -5.797
   71    HE2  PHE   9           HE2      PHE   9  -4.378   6.161  -6.777
   72    HZ   PHE   9           HZ       PHE   9  -6.485   5.063  -7.458
   73    H    ILE  10           H        ILE  10  -2.745   1.238  -1.325
   74    HA   ILE  10           HA       ILE  10  -0.714   0.478  -1.766
   75    HB   ILE  10           HB       ILE  10  -2.178   0.853  -4.222
   76   HG12  ILE  10          HG11      ILE  10  -0.361  -1.450  -3.376
   77   HG13  ILE  10          HG12      ILE  10  -1.996  -1.145  -2.766
   78   HG21  ILE  10          HG21      ILE  10   0.806   0.447  -4.841
   79   HG22  ILE  10          HG22      ILE  10  -0.111   1.939  -5.184
   80   HG23  ILE  10          HG23      ILE  10  -0.549   0.429  -5.993
   81   HD11  ILE  10          HD11      ILE  10  -2.955  -1.418  -5.084
   82   HD12  ILE  10          HD12      ILE  10  -1.324  -1.782  -5.713
   83   HD13  ILE  10          HD13      ILE  10  -2.085  -2.868  -4.532
   84    H    ASN  11           H        ASN  11  -0.756   3.257  -1.011
   85    HA   ASN  11           HA       ASN  11   1.959   4.160  -1.708
   86    HB2  ASN  11           HB3      ASN  11   0.034   5.768  -1.516
   87    HB3  ASN  11           HB2      ASN  11  -0.019   5.463   0.207
   88   HD21  ASN  11          HD21      ASN  11   3.034   7.851  -1.250
   89   HD22  ASN  11          HD22      ASN  11   2.200   6.639  -2.348
   90    H    ASN  12           H        ASN  12   0.435   3.289   1.459
   91    HA   ASN  12           HA       ASN  12   2.797   3.331   2.999
   92    HB2  ASN  12           HB3      ASN  12   0.489   3.022   3.937
   93    HB3  ASN  12           HB2      ASN  12   0.461   1.364   3.383
   94   HD21  ASN  12          HD21      ASN  12   2.493   2.312   6.850
   95   HD22  ASN  12          HD22      ASN  12   1.946   3.600   5.658
   96    H    LYS  13           H        LYS  13   1.783   0.344   1.306
   97    HA   LYS  13           HA       LYS  13   4.108  -1.189   2.036
   98    HB2  LYS  13           HB3      LYS  13   2.470  -1.527  -0.551
   99    HB3  LYS  13           HB2      LYS  13   3.636  -2.682   0.051
  100    HG2  LYS  13           HG2      LYS  13   0.976  -1.927   1.349
  101    HG3  LYS  13           HG3      LYS  13   1.358  -3.427   0.540
  102    HD2  LYS  13           HD3      LYS  13   2.545  -2.453   3.213
  103    HD3  LYS  13           HD2      LYS  13   1.267  -3.639   3.011
  104    HE2  LYS  13           HE2      LYS  13   2.877  -5.193   1.789
  105    HE3  LYS  13           HE3      LYS  13   4.178  -4.020   2.032
  106    HZ1  LYS  13           HZ1      LYS  13   3.898  -4.245   4.410
  107    HZ2  LYS  13           HZ2      LYS  13   4.221  -5.693   3.721
  108    HZ3  LYS  13           HZ3      LYS  13   2.656  -5.342   4.191
  109    H    LEU  14           H        LEU  14   3.652   0.935  -0.739
  110    HA   LEU  14           HA       LEU  14   6.291   0.399  -1.972
  111    HB2  LEU  14           HB3      LEU  14   4.248   1.304  -3.214
  112    HB3  LEU  14           HB2      LEU  14   4.423   2.821  -2.350
  113    HG   LEU  14           HG       LEU  14   6.679   3.173  -3.461
  114   HD11  LEU  14          HD11      LEU  14   5.982   0.640  -5.102
  115   HD12  LEU  14          HD12      LEU  14   7.353   0.821  -3.980
  116   HD13  LEU  14          HD13      LEU  14   7.303   1.779  -5.467
  117   HD21  LEU  14          HD21      LEU  14   5.748   3.771  -5.694
  118   HD22  LEU  14          HD22      LEU  14   4.605   4.193  -4.405
  119   HD23  LEU  14          HD23      LEU  14   4.319   2.746  -5.405
  120    H    LEU  15           H        LEU  15   5.331   2.747   0.547
  121    HA   LEU  15           HA       LEU  15   7.941   4.080   0.452
  122    HB2  LEU  15           HB3      LEU  15   5.628   4.317   2.428
  123    HB3  LEU  15           HB2      LEU  15   7.078   5.278   2.551
  124    HG   LEU  15           HG       LEU  15   5.190   5.423   0.084
  125   HD11  LEU  15          HD11      LEU  15   5.552   7.304   2.484
  126   HD12  LEU  15          HD12      LEU  15   4.144   6.251   2.162
  127   HD13  LEU  15          HD13      LEU  15   4.524   7.588   1.047
  128   HD21  LEU  15          HD21      LEU  15   7.494   6.001  -0.591
  129   HD22  LEU  15          HD22      LEU  15   7.667   7.109   0.797
  130   HD23  LEU  15          HD23      LEU  15   6.495   7.459  -0.506
  131    H    ASN  16           H        ASN  16   7.847   1.203   1.096
  132    HA   ASN  16           HA       ASN  16   9.938   1.219   3.236
  133    HB2  ASN  16           HB2      ASN  16   7.509   0.371   3.878
  134    HB3  ASN  16           HB3      ASN  16   7.819  -0.990   2.844
  135   HD21  ASN  16          HD21      ASN  16   9.703  -0.847   6.524
  136   HD22  ASN  16          HD22      ASN  16   8.933   0.648   5.789
  137    H    GLU  17           H        GLU  17  11.347   1.441   1.254
  138    HA   GLU  17           HA       GLU  17  12.141   0.841  -0.951
  139    HB2  GLU  17           HB2      GLU  17  13.007  -1.000   1.215
  140    HB3  GLU  17           HB3      GLU  17  13.864  -0.911  -0.335
  141    HG2  GLU  17           HG2      GLU  17  14.020   1.701   0.228
  142    HG3  GLU  17           HG3      GLU  17  13.569   1.251   1.855
  143    HE2  GLU  17           HE2      GLU  17  14.809  -0.113   2.970
  144    H    HIS  18           H        HIS  18   9.817   0.295  -1.661
  145    HA   HIS  18           HA       HIS  18   8.270  -1.002  -2.758
  146    HB2  HIS  18           HB2      HIS  18  10.365  -0.903  -4.232
  147    HB3  HIS  18           HB3      HIS  18  10.640  -2.597  -3.845
  148    HD2  HIS  18           HD2      HIS  18  10.322  -2.403  -6.654
  149    HE1  HIS  18           HE2      HIS  18   6.168  -2.703  -6.529
  150    HE2  HIS  18           HE3      HIS  18   8.157  -2.898  -8.153
  151    H    ALA  19           H        ALA  19   8.437  -1.750  -0.064
  152    HA   ALA  19           HA       ALA  19   7.367  -3.252   1.325
  153    HB1  ALA  19           HB1      ALA  19   6.014  -5.159   0.599
  154    HB2  ALA  19           HB2      ALA  19   6.644  -5.047  -1.059
  155    HB3  ALA  19           HB3      ALA  19   5.652  -3.730  -0.391
  156    H    HIS  20           H        HIS  20   9.316  -3.579   2.361
  157    HA   HIS  20           HA       HIS  20  11.204  -5.662   1.597
  158    HB2  HIS  20           HB3      HIS  20  11.732  -3.474   2.839
  159    HB3  HIS  20           HB2      HIS  20  11.095  -4.215   4.295
  160    HD2  HIS  20           HD2      HIS  20  13.768  -3.496   4.837
  161    HE1  HIS  20           HE2      HIS  20  15.386  -7.005   3.282
  162    HE2  HIS  20           HE3      HIS  20  15.977  -5.006   4.792
  163    HXT  HIS  20           HXT      HIS  20   9.846  -8.492   3.330
  Start of MODEL    3
    1    H1   SER   1           H        SER   1 -15.037   1.860   0.601
    2    HA   SER   1           HA       SER   1 -12.235   1.923   1.518
    3    HB2  SER   1           HB3      SER   1 -13.592   1.877   3.658
    4    HB3  SER   1           HB2      SER   1 -14.466   0.451   3.055
    5    HG   SER   1           HG       SER   1 -11.663   0.666   3.551
    6    H    ASP   2           H        ASP   2 -14.878  -0.007   0.219
    7    HA   ASP   2           HA       ASP   2 -13.089  -2.307  -0.315
    8    HB2  ASP   2           HB2      ASP   2 -15.712  -2.578   0.244
    9    HB3  ASP   2           HB3      ASP   2 -15.968  -2.012  -1.397
   10    HD2  ASP   2           HD2      ASP   2 -14.419  -5.691  -0.585
   11    H    THR   3           H        THR   3 -12.759   0.312  -1.613
   12    HA   THR   3           HA       THR   3 -11.634  -0.666  -4.096
   13    HB   THR   3           HB       THR   3 -14.010  -0.336  -4.850
   14    HG1  THR   3           HG1      THR   3 -12.249  -0.312  -6.248
   15   HG21  THR   3          HG21      THR   3 -14.562   1.814  -3.643
   16   HG22  THR   3          HG22      THR   3 -14.875   1.892  -5.398
   17   HG23  THR   3          HG23      THR   3 -13.429   2.682  -4.715
   18    H    ARG   4           H        ARG   4 -10.920   0.837  -1.693
   19    HA   ARG   4           HA       ARG   4  -8.669   2.140  -2.783
   20    HB2  ARG   4           HB3      ARG   4  -9.073   4.682  -2.077
   21    HB3  ARG   4           HB2      ARG   4 -10.151   4.217  -3.303
   22    HG2  ARG   4           HG2      ARG   4 -11.194   3.686  -0.430
   23    HG3  ARG   4           HG3      ARG   4 -10.969   5.353  -0.809
   24    HD2  ARG   4           HD2      ARG   4 -12.545   3.431  -2.644
   25    HD3  ARG   4           HD3      ARG   4 -13.258   4.253  -1.267
   26    HE   ARG   4           HE       ARG   4 -11.925   6.168  -3.022
   27   HH11  ARG   4          HH11      ARG   4 -14.920   4.284  -2.738
   28   HH12  ARG   4          HH12      ARG   4 -15.828   5.482  -3.791
   29   HH21  ARG   4          HH21      ARG   4 -13.079   7.505  -4.248
   30   HH22  ARG   4          HH22      ARG   4 -14.852   7.182  -4.587
   31    H    TYR   5           H        TYR   5  -9.485   0.448  -0.518
   32    HA   TYR   5           HA       TYR   5  -7.551   1.619   1.585
   33    HB2  TYR   5           HB3      TYR   5 -10.131   1.344   2.129
   34    HB3  TYR   5           HB2      TYR   5  -9.829  -0.367   2.152
   35    HD1  TYR   5           HD1      TYR   5  -8.709   2.896   3.708
   36    HD2  TYR   5           HD2      TYR   5  -9.010  -1.366   4.221
   37    HE1  TYR   5           HE1      TYR   5  -8.060   3.126   6.067
   38    HE2  TYR   5           HE2      TYR   5  -8.359  -1.122   6.575
   39    HH   TYR   5           HH       TYR   5  -7.658   2.079   7.984
   40    H    ASN   6           H        ASN   6  -6.606   0.322  -0.615
   41    HA   ASN   6           HA       ASN   6  -5.508  -2.302   0.508
   42    HB2  ASN   6           HB2      ASN   6  -6.499  -2.085  -1.871
   43    HB3  ASN   6           HB3      ASN   6  -5.091  -1.141  -2.307
   44   HD21  ASN   6          HD21      ASN   6  -4.733  -5.233  -1.866
   45   HD22  ASN   6          HD22      ASN   6  -6.223  -4.328  -1.296
   46    H    LYS   7           H        LYS   7  -4.608  -0.398   2.113
   47    HA   LYS   7           HA       LYS   7  -2.755   0.173   3.218
   48    HB2  LYS   7           HB3      LYS   7  -1.015  -1.160   1.127
   49    HB3  LYS   7           HB2      LYS   7  -0.484  -0.554   2.692
   50    HG2  LYS   7           HG3      LYS   7  -2.509  -2.829   2.235
   51    HG3  LYS   7           HG2      LYS   7  -0.817  -3.060   2.608
   52    HD2  LYS   7           HD2      LYS   7  -2.904  -1.769   4.483
   53    HD3  LYS   7           HD3      LYS   7  -2.378  -3.441   4.537
   54    HE2  LYS   7           HE2      LYS   7  -0.015  -2.717   5.083
   55    HE3  LYS   7           HE3      LYS   7  -0.520  -1.020   5.045
   56    HZ1  LYS   7           HZ1      LYS   7  -2.089  -1.518   6.833
   57    HZ2  LYS   7           HZ2      LYS   7  -1.622  -3.084   6.870
   58    HZ3  LYS   7           HZ3      LYS   7  -0.519  -1.892   7.267
   59    H    ASP   8           H        ASP   8  -3.399   2.114   3.045
   60    HA   ASP   8           HA       ASP   8  -3.751   4.392   2.257
   61    HB2  ASP   8           HB3      ASP   8  -1.942   4.380   3.711
   62    HB3  ASP   8           HB2      ASP   8  -0.861   3.728   2.498
   63    HD2  ASP   8           HD2      ASP   8   0.540   5.222   2.688
   64    H    PHE   9           H        PHE   9  -4.638   2.882   0.155
   65    HA   PHE   9           HA       PHE   9  -4.884   2.640  -2.128
   66    HB2  PHE   9           HB3      PHE   9  -5.536   5.037  -1.539
   67    HB3  PHE   9           HB2      PHE   9  -4.020   5.592  -2.211
   68    HD1  PHE   9           HD1      PHE   9  -7.251   3.875  -3.012
   69    HD2  PHE   9           HD2      PHE   9  -3.778   5.779  -4.683
   70    HE1  PHE   9           HE1      PHE   9  -8.330   3.912  -5.226
   71    HE2  PHE   9           HE2      PHE   9  -4.870   5.814  -6.888
   72    HZ   PHE   9           HZ       PHE   9  -7.142   4.882  -7.166
   73    H    ILE  10           H        ILE  10  -2.568   1.334  -1.386
   74    HA   ILE  10           HA       ILE  10  -0.502   0.665  -1.927
   75    HB   ILE  10           HB       ILE  10  -2.168   0.862  -4.278
   76   HG12  ILE  10          HG12      ILE  10  -0.154  -1.294  -3.489
   77   HG13  ILE  10          HG11      ILE  10  -1.765  -1.066  -2.780
   78   HG21  ILE  10          HG21      ILE  10  -0.659   0.462  -6.156
   79   HG22  ILE  10          HG22      ILE  10  -0.254   2.027  -5.439
   80   HG23  ILE  10          HG23      ILE  10   0.778   0.607  -5.118
   81   HD11  ILE  10          HD11      ILE  10  -2.851  -1.491  -5.016
   82   HD12  ILE  10          HD12      ILE  10  -1.246  -1.771  -5.745
   83   HD13  ILE  10          HD13      ILE  10  -1.847  -2.860  -4.480
   84    H    ASN  11           H        ASN  11  -0.620   3.421  -1.189
   85    HA   ASN  11           HA       ASN  11   1.944   4.474  -2.191
   86    HB2  ASN  11           HB3      ASN  11  -0.114   5.927  -1.937
   87    HB3  ASN  11           HB2      ASN  11   0.053   5.786  -0.198
   88   HD21  ASN  11          HD21      ASN  11   2.654   8.280  -2.221
   89   HD22  ASN  11          HD22      ASN  11   1.750   6.953  -3.108
   90    H    ASN  12           H        ASN  12   0.769   3.711   1.154
   91    HA   ASN  12           HA       ASN  12   3.278   4.171   2.393
   92    HB2  ASN  12           HB2      ASN  12   1.066   3.801   3.596
   93    HB3  ASN  12           HB3      ASN  12   1.258   2.076   3.382
   94   HD21  ASN  12          HD21      ASN  12   3.412   4.041   6.312
   95   HD22  ASN  12          HD22      ASN  12   2.523   4.942   4.981
   96    H    LYS  13           H        LYS  13   2.327   0.825   1.444
   97    HA   LYS  13           HA       LYS  13   4.825  -0.388   1.912
   98    HB2  LYS  13           HB2      LYS  13   3.072  -1.212  -0.464
   99    HB3  LYS  13           HB3      LYS  13   4.145  -2.224   0.481
  100    HG2  LYS  13           HG2      LYS  13   1.443  -1.035   1.371
  101    HG3  LYS  13           HG3      LYS  13   1.784  -2.685   0.918
  102    HD2  LYS  13           HD2      LYS  13   1.669  -2.848   3.184
  103    HD3  LYS  13           HD3      LYS  13   3.425  -2.792   2.925
  104    HE2  LYS  13           HE3      LYS  13   3.451  -0.399   3.725
  105    HE3  LYS  13           HE2      LYS  13   1.688  -0.408   3.863
  106    HZ1  LYS  13           HZ1      LYS  13   3.549  -2.167   5.366
  107    HZ2  LYS  13           HZ2      LYS  13   1.921  -2.182   5.515
  108    HZ3  LYS  13           HZ3      LYS  13   2.768  -0.809   5.955
  109    H    LEU  14           H        LEU  14   3.846   1.351  -0.963
  110    HA   LEU  14           HA       LEU  14   6.289   0.779  -2.563
  111    HB2  LEU  14           HB2      LEU  14   4.008   1.343  -3.504
  112    HB3  LEU  14           HB3      LEU  14   4.147   2.994  -2.938
  113    HG   LEU  14           HG       LEU  14   6.246   1.830  -4.863
  114   HD11  LEU  14          HD11      LEU  14   4.037   1.285  -5.890
  115   HD12  LEU  14          HD12      LEU  14   4.857   2.556  -6.815
  116   HD13  LEU  14          HD13      LEU  14   3.511   2.979  -5.727
  117   HD21  LEU  14          HD21      LEU  14   5.149   4.712  -4.529
  118   HD22  LEU  14          HD22      LEU  14   6.386   4.206  -5.704
  119   HD23  LEU  14          HD23      LEU  14   6.738   4.146  -3.975
  120    H    LEU  15           H        LEU  15   5.540   3.482  -0.311
  121    HA   LEU  15           HA       LEU  15   8.103   4.796  -1.006
  122    HB2  LEU  15           HB2      LEU  15   6.063   5.461   1.154
  123    HB3  LEU  15           HB3      LEU  15   7.485   6.418   0.824
  124    HG   LEU  15           HG       LEU  15   5.217   5.998  -1.271
  125   HD11  LEU  15          HD11      LEU  15   5.901   8.382   0.532
  126   HD12  LEU  15          HD12      LEU  15   4.508   7.278   0.719
  127   HD13  LEU  15          HD13      LEU  15   4.625   8.312  -0.727
  128   HD21  LEU  15          HD21      LEU  15   7.373   6.392  -2.424
  129   HD22  LEU  15          HD22      LEU  15   7.703   7.805  -1.388
  130   HD23  LEU  15          HD23      LEU  15   6.334   7.821  -2.532
  131    H    ASN  16           H        ASN  16   8.133   2.148   0.124
  132    HA   ASN  16           HA       ASN  16  10.461   2.397   1.967
  133    HB2  ASN  16           HB2      ASN  16   8.293   2.080   3.072
  134    HB3  ASN  16           HB3      ASN  16   8.147   0.534   2.233
  135   HD21  ASN  16          HD21      ASN  16  10.627   0.765   5.553
  136   HD22  ASN  16          HD22      ASN  16   9.972   2.268   4.728
  137    H    GLU  17           H        GLU  17   9.031  -0.317   0.720
  138    HA   GLU  17           HA       GLU  17  11.029  -1.771  -0.322
  139    HB2  GLU  17           HB3      GLU  17   8.517  -1.456  -1.888
  140    HB3  GLU  17           HB2      GLU  17   9.630  -2.812  -2.105
  141    HG2  GLU  17           HG3      GLU  17   9.203  -3.216   0.508
  142    HG3  GLU  17           HG2      GLU  17   7.842  -2.155   0.331
  143    HE2  GLU  17           HE2      GLU  17   6.257  -2.630  -1.038
  144    H    HIS  18           H        HIS  18   9.849   0.696  -1.970
  145    HA   HIS  18           HA       HIS  18  12.319   1.290  -3.612
  146    HB2  HIS  18           HB2      HIS  18   9.411   1.471  -4.655
  147    HB3  HIS  18           HB3      HIS  18  10.723   2.339  -5.424
  148    HD2  HIS  18           HD2      HIS  18   9.401   0.751  -7.376
  149    HE1  HIS  18           HE2      HIS  18  12.157  -2.341  -6.946
  150    HE2  HIS  18           HE3      HIS  18  10.381  -1.426  -8.569
  151    H    ALA  19           H        ALA  19  12.687   2.423  -1.574
  152    HA   ALA  19           HA       ALA  19  10.890   4.211  -0.215
  153    HB1  ALA  19           HB1      ALA  19  12.903   4.820   1.148
  154    HB2  ALA  19           HB2      ALA  19  12.635   3.087   1.018
  155    HB3  ALA  19           HB3      ALA  19  13.928   3.851   0.065
  156    H    HIS  20           H        HIS  20  10.598   5.363  -2.405
  157    HA   HIS  20           HA       HIS  20  12.305   7.450  -3.339
  158    HB2  HIS  20           HB3      HIS  20  10.279   6.421  -4.527
  159    HB3  HIS  20           HB2      HIS  20   9.253   7.510  -3.617
  160    HD2  HIS  20           HD2      HIS  20   8.779   8.025  -6.348
  161    HE1  HIS  20           HE2      HIS  20  11.967  10.673  -6.766
  162    HE2  HIS  20           HE3      HIS  20   9.792   9.934  -7.928
  163    HXT  HIS  20           HXT      HIS  20  11.956  10.195  -1.071
  Start of MODEL    4
    1    H1   SER   1           H        SER   1 -12.462  -3.406   0.970
    2    HA   SER   1           HA       SER   1  -9.793  -2.225   1.464
    3    HB2  SER   1           HB3      SER   1  -9.597  -4.671   2.102
    4    HB3  SER   1           HB2      SER   1 -10.208  -5.118   0.493
    5    HG   SER   1           HG       SER   1  -7.931  -5.159   0.661
    6    H    ASP   2           H        ASP   2 -12.062  -3.437  -0.956
    7    HA   ASP   2           HA       ASP   2 -10.446  -2.132  -3.109
    8    HB2  ASP   2           HB3      ASP   2 -11.535  -4.588  -3.412
    9    HB3  ASP   2           HB2      ASP   2 -13.052  -3.730  -3.554
   10    HD2  ASP   2           HD2      ASP   2 -10.192  -3.564  -6.446
   11    H    THR   3           H        THR   3 -11.789  -0.610  -1.054
   12    HA   THR   3           HA       THR   3 -13.162   1.414  -2.755
   13    HB   THR   3           HB       THR   3 -14.470   1.920  -0.645
   14    HG1  THR   3           HG1      THR   3 -13.477  -0.559   0.234
   15   HG21  THR   3          HG21      THR   3 -15.008  -0.946  -1.616
   16   HG22  THR   3          HG22      THR   3 -15.585   0.530  -2.432
   17   HG23  THR   3          HG23      THR   3 -16.165   0.125  -0.792
   18    H    ARG   4           H        ARG   4 -10.580   1.473  -2.651
   19    HA   ARG   4           HA       ARG   4  -8.682   2.735  -2.223
   20    HB2  ARG   4           HB3      ARG   4 -10.622   4.873  -1.076
   21    HB3  ARG   4           HB2      ARG   4  -8.952   5.150  -1.348
   22    HG2  ARG   4           HG3      ARG   4  -9.460   5.828  -3.562
   23    HG3  ARG   4           HG2      ARG   4  -9.667   4.161  -3.946
   24    HD2  ARG   4           HD3      ARG   4 -11.615   5.251  -4.730
   25    HD3  ARG   4           HD2      ARG   4 -12.138   4.301  -3.338
   26    HE   ARG   4           HE       ARG   4 -11.458   6.994  -2.480
   27   HH11  ARG   4          HH11      ARG   4 -12.986   8.433  -2.015
   28   HH12  ARG   4          HH12      ARG   4 -14.700   8.225  -2.637
   29   HH21  ARG   4          HH21      ARG   4 -15.237   6.562  -3.831
   30   HH22  ARG   4          HH22      ARG   4 -13.997   5.283  -4.274
   31    H    TYR   5           H        TYR   5  -9.411   0.835  -0.266
   32    HA   TYR   5           HA       TYR   5  -7.469   1.755   1.922
   33    HB2  TYR   5           HB3      TYR   5 -10.122   1.631   2.399
   34    HB3  TYR   5           HB2      TYR   5  -9.910  -0.086   2.368
   35    HD1  TYR   5           HD1      TYR   5  -8.891  -1.206   4.373
   36    HD2  TYR   5           HD2      TYR   5  -8.872   3.088   4.088
   37    HE1  TYR   5           HE1      TYR   5  -8.232  -1.047   6.730
   38    HE2  TYR   5           HE2      TYR   5  -8.210   3.233   6.449
   39    HH   TYR   5           HH       TYR   5  -7.729   0.301   8.421
   40    H    ASN   6           H        ASN   6  -6.602   0.543  -0.348
   41    HA   ASN   6           HA       ASN   6  -5.724  -2.232   0.647
   42    HB2  ASN   6           HB2      ASN   6  -6.837  -1.929  -1.661
   43    HB3  ASN   6           HB3      ASN   6  -5.427  -1.027  -2.171
   44   HD21  ASN   6          HD21      ASN   6  -5.183  -5.138  -1.857
   45   HD22  ASN   6          HD22      ASN   6  -6.594  -4.201  -1.150
   46    H    LYS   7           H        LYS   7  -4.639  -0.472   2.246
   47    HA   LYS   7           HA       LYS   7  -2.718   0.094   3.229
   48    HB2  LYS   7           HB2      LYS   7  -1.185  -1.297   1.007
   49    HB3  LYS   7           HB3      LYS   7  -0.466  -0.642   2.468
   50    HG2  LYS   7           HG2      LYS   7  -2.575  -2.885   2.366
   51    HG3  LYS   7           HG3      LYS   7  -0.857  -3.140   2.550
   52    HD2  LYS   7           HD3      LYS   7  -2.689  -1.702   4.576
   53    HD3  LYS   7           HD2      LYS   7  -2.160  -3.369   4.674
   54    HE2  LYS   7           HE2      LYS   7   0.268  -2.608   4.874
   55    HE3  LYS   7           HE3      LYS   7  -0.263  -0.922   4.800
   56    HZ1  LYS   7           HZ1      LYS   7  -1.590  -1.316   6.795
   57    HZ2  LYS   7           HZ2      LYS   7  -1.100  -2.874   6.868
   58    HZ3  LYS   7           HZ3      LYS   7   0.027  -1.654   7.050
   59    H    ASP   8           H        ASP   8  -3.409   2.039   3.093
   60    HA   ASP   8           HA       ASP   8  -3.794   4.307   2.311
   61    HB2  ASP   8           HB3      ASP   8  -2.001   4.271   3.798
   62    HB3  ASP   8           HB2      ASP   8  -0.895   3.664   2.583
   63    HD2  ASP   8           HD2      ASP   8  -3.177   6.242   2.488
   64    H    PHE   9           H        PHE   9  -4.637   2.843   0.177
   65    HA   PHE   9           HA       PHE   9  -4.889   2.672  -2.108
   66    HB2  PHE   9           HB2      PHE   9  -5.518   5.017  -1.546
   67    HB3  PHE   9           HB3      PHE   9  -3.947   5.594  -2.065
   68    HD1  PHE   9           HD1      PHE   9  -3.549   6.031  -4.438
   69    HD2  PHE   9           HD2      PHE   9  -7.049   3.809  -3.282
   70    HE1  PHE   9           HE1      PHE   9  -4.425   6.200  -6.729
   71    HE2  PHE   9           HE2      PHE   9  -7.908   3.988  -5.584
   72    HZ   PHE   9           HZ       PHE   9  -6.602   5.182  -7.308
   73    H    ILE  10           H        ILE  10  -2.678   1.227  -1.372
   74    HA   ILE  10           HA       ILE  10  -0.681   0.425  -1.896
   75    HB   ILE  10           HB       ILE  10  -2.238   0.846  -4.288
   76   HG12  ILE  10          HG11      ILE  10  -0.441  -1.504  -3.529
   77   HG13  ILE  10          HG12      ILE  10  -2.043  -1.166  -2.848
   78   HG21  ILE  10          HG21      ILE  10  -0.695   0.390  -6.127
   79   HG22  ILE  10          HG22      ILE  10   0.708   0.373  -5.034
   80   HG23  ILE  10          HG23      ILE  10  -0.188   1.887  -5.332
   81   HD11  ILE  10          HD11      ILE  10  -2.246  -2.876  -4.615
   82   HD12  ILE  10          HD12      ILE  10  -3.104  -1.403  -5.126
   83   HD13  ILE  10          HD13      ILE  10  -1.510  -1.803  -5.824
   84    H    ASN  11           H        ASN  11  -0.626   3.192  -1.122
   85    HA   ASN  11           HA       ASN  11   2.088   4.019  -1.915
   86    HB2  ASN  11           HB2      ASN  11   0.209   5.677  -1.697
   87    HB3  ASN  11           HB3      ASN  11   0.195   5.395   0.029
   88   HD21  ASN  11          HD21      ASN  11   3.264   7.690  -1.538
   89   HD22  ASN  11          HD22      ASN  11   2.368   6.489  -2.597
   90    H    ASN  12           H        ASN  12   0.642   3.207   1.307
   91    HA   ASN  12           HA       ASN  12   3.054   3.222   2.767
   92    HB2  ASN  12           HB3      ASN  12   0.779   2.960   3.789
   93    HB3  ASN  12           HB2      ASN  12   0.698   1.298   3.248
   94   HD21  ASN  12          HD21      ASN  12   2.866   2.232   6.635
   95   HD22  ASN  12          HD22      ASN  12   2.303   3.521   5.453
   96    H    LYS  13           H        LYS  13   1.932   0.220   1.166
   97    HA   LYS  13           HA       LYS  13   4.275  -1.318   1.830
   98    HB2  LYS  13           HB3      LYS  13   2.522  -1.712  -0.670
   99    HB3  LYS  13           HB2      LYS  13   3.704  -2.859  -0.088
  100    HG2  LYS  13           HG3      LYS  13   1.112  -2.044   1.300
  101    HG3  LYS  13           HG2      LYS  13   1.445  -3.573   0.523
  102    HD2  LYS  13           HD3      LYS  13   2.757  -2.528   3.113
  103    HD3  LYS  13           HD2      LYS  13   1.456  -3.701   3.006
  104    HE2  LYS  13           HE3      LYS  13   2.988  -5.317   1.763
  105    HE3  LYS  13           HE2      LYS  13   4.314  -4.154   1.906
  106    HZ1  LYS  13           HZ1      LYS  13   4.368  -5.818   3.638
  107    HZ2  LYS  13           HZ2      LYS  13   2.872  -5.422   4.166
  108    HZ3  LYS  13           HZ3      LYS  13   4.110  -4.307   4.305
  109    H    LEU  14           H        LEU  14   3.719   0.759  -0.962
  110    HA   LEU  14           HA       LEU  14   6.287   0.163  -2.307
  111    HB2  LEU  14           HB3      LEU  14   4.202   1.087  -3.463
  112    HB3  LEU  14           HB2      LEU  14   4.444   2.611  -2.628
  113    HG   LEU  14           HG       LEU  14   6.648   2.912  -3.851
  114   HD11  LEU  14          HD11      LEU  14   7.153   1.482  -5.866
  115   HD12  LEU  14          HD12      LEU  14   7.259   0.543  -4.370
  116   HD13  LEU  14          HD13      LEU  14   5.833   0.370  -5.422
  117   HD21  LEU  14          HD21      LEU  14   4.190   2.500  -5.673
  118   HD22  LEU  14          HD22      LEU  14   5.619   3.497  -6.045
  119   HD23  LEU  14          HD23      LEU  14   4.547   3.953  -4.708
  120    H    LEU  15           H        LEU  15   5.489   2.561   0.224
  121    HA   LEU  15           HA       LEU  15   8.115   3.843  -0.015
  122    HB2  LEU  15           HB3      LEU  15   5.907   4.148   2.068
  123    HB3  LEU  15           HB2      LEU  15   7.379   5.080   2.110
  124    HG   LEU  15           HG       LEU  15   5.377   5.235  -0.265
  125   HD11  LEU  15          HD11      LEU  15   4.448   6.108   1.849
  126   HD12  LEU  15          HD12      LEU  15   5.892   7.133   2.092
  127   HD13  LEU  15          HD13      LEU  15   4.802   7.425   0.703
  128   HD21  LEU  15          HD21      LEU  15   7.655   5.759  -1.058
  129   HD22  LEU  15          HD22      LEU  15   6.690   7.237  -0.943
  130   HD23  LEU  15          HD23      LEU  15   7.918   6.878   0.306
  131    H    ASN  16           H        ASN  16   8.010   0.978   0.667
  132    HA   ASN  16           HA       ASN  16  10.206   0.985   2.700
  133    HB2  ASN  16           HB2      ASN  16   7.798   0.187   3.473
  134    HB3  ASN  16           HB3      ASN  16   8.034  -1.193   2.443
  135   HD21  ASN  16          HD21      ASN  16  10.100  -1.034   6.023
  136   HD22  ASN  16          HD22      ASN  16   9.320   0.465   5.307
  137    H    GLU  17           H        GLU  17  11.516   1.157   0.646
  138    HA   GLU  17           HA       GLU  17  12.188   0.514  -1.587
  139    HB2  GLU  17           HB2      GLU  17  13.131  -1.313   0.556
  140    HB3  GLU  17           HB3      GLU  17  13.910  -1.257  -1.035
  141    HG2  GLU  17           HG2      GLU  17  14.139   1.358  -0.516
  142    HG3  GLU  17           HG3      GLU  17  13.761   0.937   1.137
  143    HE2  GLU  17           HE2      GLU  17  16.770  -0.616   1.862
  144    H    HIS  18           H        HIS  18   9.823   0.001  -2.174
  145    HA   HIS  18           HA       HIS  18   8.201  -1.284  -3.173
  146    HB2  HIS  18           HB2      HIS  18  10.219  -1.241  -4.751
  147    HB3  HIS  18           HB3      HIS  18  10.486  -2.935  -4.355
  148    HD2  HIS  18           HD2      HIS  18  10.029  -2.772  -7.147
  149    HE1  HIS  18           HE2      HIS  18   5.882  -2.995  -6.809
  150    HE2  HIS  18           HE3      HIS  18   7.783  -3.248  -8.528
  151    H    ALA  19           H        ALA  19   8.490  -1.999  -0.480
  152    HA   ALA  19           HA       ALA  19   7.465  -3.464   0.982
  153    HB1  ALA  19           HB1      ALA  19   6.598  -5.283  -1.336
  154    HB2  ALA  19           HB2      ALA  19   5.662  -3.937  -0.646
  155    HB3  ALA  19           HB3      ALA  19   6.046  -5.354   0.352
  156    H    HIS  20           H        HIS  20   9.459  -3.811   1.925
  157    HA   HIS  20           HA       HIS  20  11.271  -5.936   1.098
  158    HB2  HIS  20           HB2      HIS  20  11.895  -3.741   2.280
  159    HB3  HIS  20           HB3      HIS  20  11.322  -4.454   3.777
  160    HD2  HIS  20           HD2      HIS  20  14.031  -3.773   4.172
  161    HE1  HIS  20           HE2      HIS  20  15.507  -7.333   2.591
  162    HE2  HIS  20           HE3      HIS  20  16.210  -5.322   4.037
  163    HXT  HIS  20           HXT      HIS  20   9.952  -8.719   2.936
  Start of MODEL    5
    1    H1   SER   1           H        SER   1 -10.093  -4.934   4.245
    2    HA   SER   1           HA       SER   1  -7.897  -3.001   3.996
    3    HB2  SER   1           HB2      SER   1  -6.707  -5.257   4.137
    4    HB3  SER   1           HB3      SER   1  -7.741  -5.847   2.818
    5    HG   SER   1           HG       SER   1  -5.679  -5.129   2.135
    6    H    ASP   2           H        ASP   2 -10.461  -4.845   2.451
    7    HA   ASP   2           HA       ASP   2 -10.239  -3.218  -0.044
    8    HB2  ASP   2           HB3      ASP   2 -10.647  -5.888  -0.100
    9    HB3  ASP   2           HB2      ASP   2 -12.267  -5.497   0.429
   10    HD2  ASP   2           HD2      ASP   2 -10.941  -4.618  -3.318
   11    H    THR   3           H        THR   3 -10.953  -2.022   2.415
   12    HA   THR   3           HA       THR   3 -13.392  -0.553   1.568
   13    HB   THR   3           HB       THR   3 -14.402  -2.169   3.031
   14    HG1  THR   3           HG1      THR   3 -14.194   0.385   4.224
   15   HG21  THR   3          HG21      THR   3 -12.534  -2.756   4.597
   16   HG22  THR   3          HG22      THR   3 -14.016  -2.280   5.464
   17   HG23  THR   3          HG23      THR   3 -12.647  -1.144   5.349
   18    H    ARG   4           H        ARG   4 -11.274   0.399   0.931
   19    HA   ARG   4           HA       ARG   4  -9.795   2.166   0.913
   20    HB2  ARG   4           HB3      ARG   4 -11.658   3.455   3.048
   21    HB3  ARG   4           HB2      ARG   4 -10.407   4.295   2.232
   22    HG2  ARG   4           HG3      ARG   4 -12.021   4.900   0.612
   23    HG3  ARG   4           HG2      ARG   4 -11.757   3.333  -0.081
   24    HD2  ARG   4           HD2      ARG   4 -13.650   2.373   1.329
   25    HD3  ARG   4           HD3      ARG   4 -13.906   3.967   2.055
   26    HE   ARG   4           HE       ARG   4 -13.995   4.304  -0.789
   27   HH11  ARG   4          HH11      ARG   4 -17.450   2.872   0.731
   28   HH12  ARG   4          HH12      ARG   4 -15.917   2.698   1.725
   29   HH21  ARG   4          HH21      ARG   4 -17.410   3.801  -1.169
   30   HH22  ARG   4          HH22      ARG   4 -15.847   4.457  -1.874
   31    H    TYR   5           H        TYR   5  -9.053   0.040   2.620
   32    HA   TYR   5           HA       TYR   5  -6.722   1.503   3.923
   33    HB2  TYR   5           HB3      TYR   5  -8.775   0.611   5.441
   34    HB3  TYR   5           HB2      TYR   5  -8.128  -0.961   5.135
   35    HD1  TYR   5           HD1      TYR   5  -7.529   2.348   6.743
   36    HD2  TYR   5           HD2      TYR   5  -5.884  -1.599   6.239
   37    HE1  TYR   5           HE1      TYR   5  -5.947   2.760   8.576
   38    HE2  TYR   5           HE2      TYR   5  -4.312  -1.172   8.065
   39    HH   TYR   5           HH       TYR   5  -3.596   0.278   9.589
   40    H    ASN   6           H        ASN   6  -6.585   0.605   1.382
   41    HA   ASN   6           HA       ASN   6  -4.996  -1.992   1.481
   42    HB2  ASN   6           HB3      ASN   6  -6.791  -1.435  -0.287
   43    HB3  ASN   6           HB2      ASN   6  -5.684  -0.259  -0.960
   44   HD21  ASN   6          HD21      ASN   6  -5.000  -4.293  -1.596
   45   HD22  ASN   6          HD22      ASN   6  -6.146  -3.717  -0.283
   46    H    LYS   7           H        LYS   7  -3.684  -0.133   3.052
   47    HA   LYS   7           HA       LYS   7  -1.723   0.711   3.515
   48    HB2  LYS   7           HB3      LYS   7  -0.675  -1.073   1.294
   49    HB3  LYS   7           HB2      LYS   7   0.354  -0.047   2.281
   50    HG2  LYS   7           HG2      LYS   7   0.388  -2.130   3.364
   51    HG3  LYS   7           HG3      LYS   7  -0.540  -1.058   4.396
   52    HD2  LYS   7           HD3      LYS   7  -2.241  -2.676   2.517
   53    HD3  LYS   7           HD2      LYS   7  -1.207  -3.666   3.534
   54    HE2  LYS   7           HE2      LYS   7  -2.127  -2.592   5.617
   55    HE3  LYS   7           HE3      LYS   7  -3.156  -1.537   4.645
   56    HZ1  LYS   7           HZ1      LYS   7  -4.328  -3.475   5.444
   57    HZ2  LYS   7           HZ2      LYS   7  -3.284  -4.499   4.716
   58    HZ3  LYS   7           HZ3      LYS   7  -4.248  -3.511   3.775
   59    H    ASP   8           H        ASP   8  -2.602   2.601   3.261
   60    HA   ASP   8           HA       ASP   8  -3.166   4.790   2.323
   61    HB2  ASP   8           HB2      ASP   8  -1.203   4.993   3.541
   62    HB3  ASP   8           HB3      ASP   8  -0.240   4.255   2.277
   63    HD2  ASP   8           HD2      ASP   8  -1.558   8.110   1.751
   64    H    PHE   9           H        PHE   9  -4.193   3.013   0.510
   65    HA   PHE   9           HA       PHE   9  -4.716   2.542  -1.693
   66    HB2  PHE   9           HB2      PHE   9  -5.505   4.895  -1.254
   67    HB3  PHE   9           HB3      PHE   9  -4.105   5.527  -2.095
   68    HD1  PHE   9           HD1      PHE   9  -4.157   5.694  -4.539
   69    HD2  PHE   9           HD2      PHE   9  -7.167   3.353  -2.543
   70    HE1  PHE   9           HE1      PHE   9  -5.418   5.503  -6.642
   71    HE2  PHE   9           HE2      PHE   9  -8.414   3.174  -4.657
   72    HZ   PHE   9           HZ       PHE   9  -7.545   4.245  -6.708
   73    H    ILE  10           H        ILE  10  -2.235   1.477  -1.134
   74    HA   ILE  10           HA       ILE  10  -0.211   0.871  -1.878
   75    HB   ILE  10           HB       ILE  10  -2.176   0.687  -3.991
   76   HG12  ILE  10          HG11      ILE  10   0.037  -1.258  -3.178
   77   HG13  ILE  10          HG12      ILE  10  -1.504  -1.021  -2.332
   78   HG21  ILE  10          HG21      ILE  10   0.661   0.447  -5.151
   79   HG22  ILE  10          HG22      ILE  10  -0.874   0.099  -5.977
   80   HG23  ILE  10          HG23      ILE  10  -0.486   1.764  -5.523
   81   HD11  ILE  10          HD11      ILE  10  -1.207  -2.113  -5.206
   82   HD12  ILE  10          HD12      ILE  10  -2.767  -1.762  -4.414
   83   HD13  ILE  10          HD13      ILE  10  -1.689  -3.013  -3.750
   84    H    ASN  11           H        ASN  11  -0.454   3.690  -1.473
   85    HA   ASN  11           HA       ASN  11   1.879   4.760  -2.922
   86    HB2  ASN  11           HB3      ASN  11  -0.226   6.111  -2.585
   87    HB3  ASN  11           HB2      ASN  11   0.138   6.194  -0.875
   88   HD21  ASN  11          HD21      ASN  11   2.320   8.572  -3.457
   89   HD22  ASN  11          HD22      ASN  11   1.431   7.091  -4.076
   90    H    ASN  12           H        ASN  12   1.192   4.346   0.618
   91    HA   ASN  12           HA       ASN  12   3.807   5.033   1.466
   92    HB2  ASN  12           HB2      ASN  12   1.817   4.681   2.987
   93    HB3  ASN  12           HB3      ASN  12   2.043   2.948   2.878
   94   HD21  ASN  12          HD21      ASN  12   4.487   5.187   5.342
   95   HD22  ASN  12          HD22      ASN  12   3.401   5.962   4.080
   96    H    LYS  13           H        LYS  13   2.936   1.594   0.826
   97    HA   LYS  13           HA       LYS  13   5.519   0.510   1.128
   98    HB2  LYS  13           HB2      LYS  13   3.614  -0.530  -1.036
   99    HB3  LYS  13           HB3      LYS  13   4.813  -1.429  -0.134
  100    HG2  LYS  13           HG2      LYS  13   2.121  -0.345   0.893
  101    HG3  LYS  13           HG3      LYS  13   2.546  -1.996   0.533
  102    HD2  LYS  13           HD3      LYS  13   2.646  -2.047   2.791
  103    HD3  LYS  13           HD2      LYS  13   4.360  -1.800   2.417
  104    HE2  LYS  13           HE2      LYS  13   4.194   0.592   3.101
  105    HE3  LYS  13           HE3      LYS  13   2.438   0.471   3.266
  106    HZ1  LYS  13           HZ1      LYS  13   3.585   0.306   5.368
  107    HZ2  LYS  13           HZ2      LYS  13   4.451  -0.990   4.878
  108    HZ3  LYS  13           HZ3      LYS  13   2.792  -1.128   5.040
  109    H    LEU  14           H        LEU  14   4.164   1.966  -1.762
  110    HA   LEU  14           HA       LEU  14   6.499   1.441  -3.531
  111    HB2  LEU  14           HB2      LEU  14   4.113   1.763  -4.306
  112    HB3  LEU  14           HB3      LEU  14   4.163   3.460  -3.877
  113    HG   LEU  14           HG       LEU  14   6.204   2.320  -5.878
  114   HD11  LEU  14          HD11      LEU  14   4.617   2.745  -7.763
  115   HD12  LEU  14          HD12      LEU  14   3.991   1.490  -6.680
  116   HD13  LEU  14          HD13      LEU  14   3.316   3.135  -6.611
  117   HD21  LEU  14          HD21      LEU  14   4.857   5.108  -5.688
  118   HD22  LEU  14          HD22      LEU  14   6.527   4.739  -5.212
  119   HD23  LEU  14          HD23      LEU  14   6.056   4.617  -6.908
  120    H    LEU  15           H        LEU  15   5.753   4.256  -1.429
  121    HA   LEU  15           HA       LEU  15   8.134   5.684  -2.464
  122    HB2  LEU  15           HB3      LEU  15   6.252   6.394  -0.181
  123    HB3  LEU  15           HB2      LEU  15   7.557   7.415  -0.729
  124    HG   LEU  15           HG       LEU  15   5.141   6.648  -2.541
  125   HD11  LEU  15          HD11      LEU  15   5.802   9.229  -1.027
  126   HD12  LEU  15          HD12      LEU  15   4.422   8.952  -2.136
  127   HD13  LEU  15          HD13      LEU  15   4.527   8.049  -0.605
  128   HD21  LEU  15          HD21      LEU  15   5.982   8.418  -4.061
  129   HD22  LEU  15          HD22      LEU  15   7.449   8.612  -3.065
  130   HD23  LEU  15          HD23      LEU  15   7.142   7.088  -3.937
  131    H    ASN  16           H        ASN  16   8.443   3.152  -1.123
  132    HA   ASN  16           HA       ASN  16  10.901   3.704   0.470
  133    HB2  ASN  16           HB2      ASN  16   8.867   3.336   1.793
  134    HB3  ASN  16           HB3      ASN  16   8.764   1.719   1.093
  135   HD21  ASN  16          HD21      ASN  16  11.501   2.391   4.137
  136   HD22  ASN  16          HD22      ASN  16  10.665   3.773   3.265
  137    H    GLU  17           H        GLU  17   9.571   0.808  -0.445
  138    HA   GLU  17           HA       GLU  17  11.577  -0.580  -1.556
  139    HB2  GLU  17           HB3      GLU  17   8.925  -0.560  -2.910
  140    HB3  GLU  17           HB2      GLU  17  10.117  -1.846  -3.135
  141    HG2  GLU  17           HG2      GLU  17   9.944  -2.081  -0.469
  142    HG3  GLU  17           HG3      GLU  17   8.494  -1.139  -0.600
  143    HE2  GLU  17           HE2      GLU  17   6.843  -1.833  -1.787
  144    H    HIS  18           H        HIS  18  10.092   1.680  -3.249
  145    HA   HIS  18           HA       HIS  18  12.359   2.309  -5.150
  146    HB2  HIS  18           HB2      HIS  18   9.362   2.255  -5.919
  147    HB3  HIS  18           HB3      HIS  18  10.542   3.143  -6.859
  148    HD2  HIS  18           HD2      HIS  18   9.151   1.360  -8.580
  149    HE1  HIS  18           HE2      HIS  18  12.115  -1.541  -8.224
  150    HE2  HIS  18           HE3      HIS  18  10.149  -0.835  -9.725
  151    H    ALA  19           H        ALA  19  12.851   3.605  -3.241
  152    HA   ALA  19           HA       ALA  19  11.063   5.361  -1.820
  153    HB1  ALA  19           HB1      ALA  19  14.130   5.198  -1.801
  154    HB2  ALA  19           HB2      ALA  19  13.146   6.179  -0.690
  155    HB3  ALA  19           HB3      ALA  19  12.980   4.428  -0.686
  156    H    HIS  20           H        HIS  20  10.497   6.352  -4.029
  157    HA   HIS  20           HA       HIS  20  11.974   8.444  -5.268
  158    HB2  HIS  20           HB3      HIS  20   9.912   7.260  -6.180
  159    HB3  HIS  20           HB2      HIS  20   8.917   8.341  -5.229
  160    HD2  HIS  20           HD2      HIS  20   8.145   8.664  -7.923
  161    HE1  HIS  20           HE2      HIS  20  11.085  11.486  -8.785
  162    HE2  HIS  20           HE3      HIS  20   8.865  10.545  -9.686
  163    HXT  HIS  20           HXT      HIS  20   9.967  10.822  -2.577
  Start of MODEL    6
    1    H1   SER   1           H        SER   1 -10.121  -4.889   4.330
    2    HA   SER   1           HA       SER   1  -7.882  -3.040   3.829
    3    HB2  SER   1           HB3      SER   1  -6.767  -5.270   4.265
    4    HB3  SER   1           HB2      SER   1  -7.801  -6.007   3.019
    5    HG   SER   1           HG       SER   1  -5.717  -5.423   2.272
    6    H    ASP   2           H        ASP   2 -10.441  -5.025   2.449
    7    HA   ASP   2           HA       ASP   2 -10.205  -3.599  -0.168
    8    HB2  ASP   2           HB2      ASP   2 -10.575  -6.266  -0.016
    9    HB3  ASP   2           HB3      ASP   2 -12.210  -5.864   0.462
   10    HD2  ASP   2           HD2      ASP   2 -13.264  -5.408  -2.753
   11    H    THR   3           H        THR   3 -10.966  -2.223   2.182
   12    HA   THR   3           HA       THR   3 -13.372  -0.819   1.174
   13    HB   THR   3           HB       THR   3 -14.446  -2.372   2.663
   14    HG1  THR   3           HG1      THR   3 -15.169  -0.247   2.488
   15   HG21  THR   3          HG21      THR   3 -12.812  -1.233   5.014
   16   HG22  THR   3          HG22      THR   3 -14.178  -2.372   5.112
   17   HG23  THR   3          HG23      THR   3 -12.654  -2.877   4.339
   18    H    ARG   4           H        ARG   4 -11.222   0.121   0.596
   19    HA   ARG   4           HA       ARG   4  -9.755   1.902   0.591
   20    HB2  ARG   4           HB2      ARG   4 -11.714   3.244   2.600
   21    HB3  ARG   4           HB3      ARG   4 -10.429   4.068   1.824
   22    HG2  ARG   4           HG3      ARG   4 -11.904   4.610   0.057
   23    HG3  ARG   4           HG2      ARG   4 -11.707   2.994  -0.504
   24    HD2  ARG   4           HD3      ARG   4 -14.061   3.364  -0.401
   25    HD3  ARG   4           HD2      ARG   4 -13.706   2.248   0.897
   26    HE   ARG   4           HE       ARG   4 -14.259   3.862   2.526
   27   HH11  ARG   4          HH11      ARG   4 -15.185   6.878   0.011
   28   HH12  ARG   4          HH12      ARG   4 -14.311   5.413  -0.667
   29   HH21  ARG   4          HH21      ARG   4 -15.282   5.618   3.213
   30   HH22  ARG   4          HH22      ARG   4 -15.697   6.983   2.060
   31    H    TYR   5           H        TYR   5  -9.083  -0.169   2.395
   32    HA   TYR   5           HA       TYR   5  -6.860   1.362   3.816
   33    HB2  TYR   5           HB2      TYR   5  -8.973   0.455   5.216
   34    HB3  TYR   5           HB3      TYR   5  -8.297  -1.115   4.965
   35    HD1  TYR   5           HD1      TYR   5  -6.201  -1.772   6.261
   36    HD2  TYR   5           HD2      TYR   5  -7.751   2.237   6.525
   37    HE1  TYR   5           HE1      TYR   5  -4.753  -1.332   8.186
   38    HE2  TYR   5           HE2      TYR   5  -6.294   2.661   8.456
   39    HH   TYR   5           HH       TYR   5  -4.756   1.834   9.827
   40    H    ASN   6           H        ASN   6  -6.567   0.400   1.276
   41    HA   ASN   6           HA       ASN   6  -4.852  -2.110   1.567
   42    HB2  ASN   6           HB3      ASN   6  -6.627  -1.777  -0.280
   43    HB3  ASN   6           HB2      ASN   6  -5.572  -0.576  -0.994
   44   HD21  ASN   6          HD21      ASN   6  -4.625  -4.593  -1.353
   45   HD22  ASN   6          HD22      ASN   6  -5.845  -4.009  -0.111
   46    H    LYS   7           H        LYS   7  -3.709  -0.115   3.062
   47    HA   LYS   7           HA       LYS   7  -1.808   0.818   3.552
   48    HB2  LYS   7           HB2      LYS   7  -0.580  -0.901   1.375
   49    HB3  LYS   7           HB3      LYS   7   0.351   0.185   2.395
   50    HG2  LYS   7           HG2      LYS   7   0.476  -1.875   3.507
   51    HG3  LYS   7           HG3      LYS   7  -0.593  -0.885   4.480
   52    HD2  LYS   7           HD3      LYS   7  -2.073  -2.591   2.509
   53    HD3  LYS   7           HD2      LYS   7  -1.006  -3.533   3.537
   54    HE2  LYS   7           HE3      LYS   7  -2.088  -2.613   5.609
   55    HE3  LYS   7           HE2      LYS   7  -3.137  -1.577   4.635
   56    HZ1  LYS   7           HZ1      LYS   7  -4.266  -3.571   5.265
   57    HZ2  LYS   7           HZ2      LYS   7  -4.102  -3.545   3.638
   58    HZ3  LYS   7           HZ3      LYS   7  -3.103  -4.531   4.545
   59    H    ASP   8           H        ASP   8  -2.748   2.663   3.276
   60    HA   ASP   8           HA       ASP   8  -3.407   4.809   2.316
   61    HB2  ASP   8           HB3      ASP   8  -1.461   5.091   3.565
   62    HB3  ASP   8           HB2      ASP   8  -0.452   4.412   2.304
   63    HD2  ASP   8           HD2      ASP   8   0.829   6.017   2.325
   64    H    PHE   9           H        PHE   9  -4.320   3.004   0.477
   65    HA   PHE   9           HA       PHE   9  -4.792   2.522  -1.733
   66    HB2  PHE   9           HB2      PHE   9  -5.621   4.858  -1.344
   67    HB3  PHE   9           HB3      PHE   9  -4.209   5.509  -2.151
   68    HD1  PHE   9           HD1      PHE   9  -4.169   5.620  -4.604
   69    HD2  PHE   9           HD2      PHE   9  -7.235   3.305  -2.661
   70    HE1  PHE   9           HE1      PHE   9  -5.360   5.383  -6.741
   71    HE2  PHE   9           HE2      PHE   9  -8.413   3.082  -4.811
   72    HZ   PHE   9           HZ       PHE   9  -7.480   4.116  -6.852
   73    H    ILE  10           H        ILE  10  -2.347   1.441  -1.119
   74    HA   ILE  10           HA       ILE  10  -0.335   0.813  -1.786
   75    HB   ILE  10           HB       ILE  10  -2.179   0.732  -4.000
   76   HG12  ILE  10          HG11      ILE  10  -0.007  -1.255  -3.184
   77   HG13  ILE  10          HG12      ILE  10  -1.572  -1.035  -2.380
   78   HG21  ILE  10          HG21      ILE  10  -0.414   1.873  -5.401
   79   HG22  ILE  10          HG22      ILE  10  -0.799   0.237  -5.954
   80   HG23  ILE  10          HG23      ILE  10   0.705   0.528  -5.050
   81   HD11  ILE  10          HD11      ILE  10  -2.779  -1.694  -4.514
   82   HD12  ILE  10          HD12      ILE  10  -1.203  -2.003  -5.293
   83   HD13  ILE  10          HD13      ILE  10  -1.710  -2.974  -3.893
   84    H    ASN  11           H        ASN  11  -0.541   3.640  -1.330
   85    HA   ASN  11           HA       ASN  11   1.924   4.681  -2.559
   86    HB2  ASN  11           HB3      ASN  11  -0.116   6.122  -2.243
   87    HB3  ASN  11           HB2      ASN  11   0.125   6.039  -0.512
   88   HD21  ASN  11          HD21      ASN  11   2.632   8.488  -2.713
   89   HD22  ASN  11          HD22      ASN  11   1.766   7.083  -3.516
   90    H    ASN  12           H        ASN  12   0.996   4.108   0.894
   91    HA   ASN  12           HA       ASN  12   3.558   4.553   1.995
   92    HB2  ASN  12           HB3      ASN  12   1.465   4.207   3.338
   93    HB3  ASN  12           HB2      ASN  12   1.526   2.484   3.028
   94   HD21  ASN  12          HD21      ASN  12   3.962   4.123   5.932
   95   HD22  ASN  12          HD22      ASN  12   3.090   5.161   4.691
   96    H    LYS  13           H        LYS  13   2.581   1.293   0.879
   97    HA   LYS  13           HA       LYS  13   5.122   0.053   1.425
   98    HB2  LYS  13           HB3      LYS  13   3.182  -0.818  -0.787
   99    HB3  LYS  13           HB2      LYS  13   4.543  -1.755  -0.212
  100    HG2  LYS  13           HG2      LYS  13   2.004  -1.056   1.330
  101    HG3  LYS  13           HG3      LYS  13   2.485  -2.629   0.743
  102    HD2  LYS  13           HD2      LYS  13   3.802  -1.051   3.041
  103    HD3  LYS  13           HD3      LYS  13   2.719  -2.423   3.196
  104    HE2  LYS  13           HE2      LYS  13   4.436  -3.912   2.013
  105    HE3  LYS  13           HE3      LYS  13   5.539  -2.528   1.934
  106    HZ1  LYS  13           HZ1      LYS  13   5.467  -2.408   4.357
  107    HZ2  LYS  13           HZ2      LYS  13   4.449  -3.685   4.437
  108    HZ3  LYS  13           HZ3      LYS  13   5.991  -3.904   3.829
  109    H    LEU  14           H        LEU  14   4.060   1.739  -1.484
  110    HA   LEU  14           HA       LEU  14   6.507   1.220  -3.054
  111    HB2  LEU  14           HB2      LEU  14   4.261   1.746  -4.087
  112    HB3  LEU  14           HB3      LEU  14   4.331   3.369  -3.422
  113    HG   LEU  14           HG       LEU  14   6.310   3.900  -4.873
  114   HD11  LEU  14          HD11      LEU  14   5.900   1.096  -6.118
  115   HD12  LEU  14          HD12      LEU  14   7.328   1.637  -5.200
  116   HD13  LEU  14          HD13      LEU  14   6.959   2.375  -6.765
  117   HD21  LEU  14          HD21      LEU  14   3.865   2.842  -6.429
  118   HD22  LEU  14          HD22      LEU  14   5.049   4.036  -7.016
  119   HD23  LEU  14          HD23      LEU  14   3.999   4.435  -5.645
  120    H    LEU  15           H        LEU  15   5.745   3.847  -0.752
  121    HA   LEU  15           HA       LEU  15   8.202   5.325  -1.485
  122    HB2  LEU  15           HB3      LEU  15   6.185   5.763   0.765
  123    HB3  LEU  15           HB2      LEU  15   7.524   6.832   0.447
  124    HG   LEU  15           HG       LEU  15   5.229   6.376  -1.604
  125   HD11  LEU  15          HD11      LEU  15   5.803   8.676   0.344
  126   HD12  LEU  15          HD12      LEU  15   4.480   7.480   0.474
  127   HD13  LEU  15          HD13      LEU  15   4.512   8.620  -0.897
  128   HD21  LEU  15          HD21      LEU  15   7.565   8.380  -1.645
  129   HD22  LEU  15          HD22      LEU  15   6.183   8.332  -2.778
  130   HD23  LEU  15          HD23      LEU  15   7.341   6.993  -2.740
  131    H    ASN  16           H        ASN  16   8.386   2.596  -0.383
  132    HA   ASN  16           HA       ASN  16  10.697   3.003   1.458
  133    HB2  ASN  16           HB2      ASN  16   8.475   2.822   2.590
  134    HB3  ASN  16           HB3      ASN  16   8.358   1.198   1.952
  135   HD21  ASN  16          HD21      ASN  16  10.811   1.875   5.236
  136   HD22  ASN  16          HD22      ASN  16  10.176   3.253   4.204
  137    H    GLU  17           H        GLU  17   9.187   0.202   0.737
  138    HA   GLU  17           HA       GLU  17  11.156  -1.600   0.069
  139    HB2  GLU  17           HB3      GLU  17   8.607  -1.578  -1.456
  140    HB3  GLU  17           HB2      GLU  17   9.671  -2.979  -1.312
  141    HG2  GLU  17           HG3      GLU  17   9.237  -2.623   1.332
  142    HG3  GLU  17           HG2      GLU  17   7.883  -1.653   0.820
  143    HE2  GLU  17           HE2      GLU  17   7.629  -5.614   0.768
  144    H    HIS  18           H        HIS  18   9.767   0.149  -2.224
  145    HA   HIS  18           HA       HIS  18  12.201   0.386  -4.014
  146    HB2  HIS  18           HB3      HIS  18   9.327  -0.132  -5.005
  147    HB3  HIS  18           HB2      HIS  18  10.576   0.485  -6.067
  148    HD2  HIS  18           HD2      HIS  18   9.444  -1.858  -7.219
  149    HE1  HIS  18           HE2      HIS  18  12.501  -4.238  -5.695
  150    HE2  HIS  18           HE3      HIS  18  10.667  -4.211  -7.501
  151    H    ALA  19           H        ALA  19  11.779   2.049  -2.032
  152    HA   ALA  19           HA       ALA  19  10.431   4.171  -1.654
  153    HB1  ALA  19           HB1      ALA  19  12.471   5.441  -0.940
  154    HB2  ALA  19           HB2      ALA  19  13.504   4.275  -1.799
  155    HB3  ALA  19           HB3      ALA  19  12.482   3.749  -0.440
  156    H    HIS  20           H        HIS  20   9.537   4.633  -3.648
  157    HA   HIS  20           HA       HIS  20  10.572   6.118  -5.845
  158    HB2  HIS  20           HB3      HIS  20   8.317   4.965  -5.710
  159    HB3  HIS  20           HB2      HIS  20   7.678   6.364  -4.878
  160    HD2  HIS  20           HD2      HIS  20   6.090   5.989  -7.174
  161    HE1  HIS  20           HE2      HIS  20   8.647   8.041  -9.741
  162    HE2  HIS  20           HE3      HIS  20   6.238   7.150  -9.579
  163    HXT  HIS  20           HXT      HIS  20  11.099   9.495  -4.836
  Start of MODEL    7
    1    H1   SER   1           H        SER   1 -12.476  -3.517   0.827
    2    HA   SER   1           HA       SER   1  -9.823  -2.314   1.350
    3    HB2  SER   1           HB3      SER   1  -9.600  -4.766   1.953
    4    HB3  SER   1           HB2      SER   1 -10.201  -5.198   0.336
    5    HG   SER   1           HG       SER   1  -7.924  -5.215   0.511
    6    H    ASP   2           H        ASP   2 -12.070  -3.517  -1.096
    7    HA   ASP   2           HA       ASP   2 -10.460  -2.163  -3.225
    8    HB2  ASP   2           HB2      ASP   2 -11.513  -4.629  -3.565
    9    HB3  ASP   2           HB3      ASP   2 -13.042  -3.788  -3.703
   10    HD2  ASP   2           HD2      ASP   2 -10.180  -3.540  -6.585
   11    H    THR   3           H        THR   3 -11.826  -0.686  -1.154
   12    HA   THR   3           HA       THR   3 -13.224   1.343  -2.826
   13    HB   THR   3           HB       THR   3 -14.549   1.794  -0.713
   14    HG1  THR   3           HG1      THR   3 -14.661   0.186   0.842
   15   HG21  THR   3          HG21      THR   3 -15.636   0.415  -2.527
   16   HG22  THR   3          HG22      THR   3 -16.218  -0.023  -0.895
   17   HG23  THR   3          HG23      THR   3 -15.041  -1.064  -1.730
   18    H    ARG   4           H        ARG   4 -10.656   1.448  -2.726
   19    HA   ARG   4           HA       ARG   4  -8.760   2.697  -2.247
   20    HB2  ARG   4           HB2      ARG   4 -10.747   4.811  -1.131
   21    HB3  ARG   4           HB3      ARG   4  -9.071   5.103  -1.352
   22    HG2  ARG   4           HG2      ARG   4  -9.578   5.828  -3.543
   23    HG3  ARG   4           HG3      ARG   4  -9.639   4.150  -3.981
   24    HD2  ARG   4           HD2      ARG   4 -12.128   4.085  -3.506
   25    HD3  ARG   4           HD3      ARG   4 -12.079   5.790  -3.026
   26    HE   ARG   4           HE       ARG   4 -10.902   5.575  -5.640
   27   HH11  ARG   4          HH11      ARG   4 -14.937   5.675  -5.706
   28   HH12  ARG   4          HH12      ARG   4 -14.098   5.219  -4.138
   29   HH21  ARG   4          HH21      ARG   4 -13.818   6.137  -7.440
   30   HH22  ARG   4          HH22      ARG   4 -11.983   6.095  -7.426
   31    H    TYR   5           H        TYR   5  -9.482   0.771  -0.318
   32    HA   TYR   5           HA       TYR   5  -7.574   1.695   1.898
   33    HB2  TYR   5           HB2      TYR   5 -10.231   1.528   2.347
   34    HB3  TYR   5           HB3      TYR   5  -9.989  -0.188   2.301
   35    HD1  TYR   5           HD1      TYR   5  -9.020   2.987   4.063
   36    HD2  TYR   5           HD2      TYR   5  -8.970  -1.310   4.305
   37    HE1  TYR   5           HE1      TYR   5  -8.380   3.119   6.430
   38    HE2  TYR   5           HE2      TYR   5  -8.333  -1.163   6.669
   39    HH   TYR   5           HH       TYR   5  -7.885   1.988   8.277
   40    H    ASN   6           H        ASN   6  -6.668   0.519  -0.374
   41    HA   ASN   6           HA       ASN   6  -5.755  -2.250   0.600
   42    HB2  ASN   6           HB3      ASN   6  -6.856  -1.947  -1.710
   43    HB3  ASN   6           HB2      ASN   6  -5.466  -1.006  -2.202
   44   HD21  ASN   6          HD21      ASN   6  -5.127  -5.115  -1.941
   45   HD22  ASN   6          HD22      ASN   6  -6.562  -4.220  -1.224
   46    H    LYS   7           H        LYS   7  -4.709  -0.483   2.223
   47    HA   LYS   7           HA       LYS   7  -2.803   0.109   3.223
   48    HB2  LYS   7           HB2      LYS   7  -1.237  -1.253   1.006
   49    HB3  LYS   7           HB3      LYS   7  -0.536  -0.594   2.473
   50    HG2  LYS   7           HG2      LYS   7  -2.616  -2.864   2.352
   51    HG3  LYS   7           HG3      LYS   7  -0.895  -3.100   2.540
   52    HD2  LYS   7           HD2      LYS   7  -2.750  -1.688   4.565
   53    HD3  LYS   7           HD3      LYS   7  -2.208  -3.353   4.657
   54    HE2  LYS   7           HE2      LYS   7   0.213  -2.576   4.872
   55    HE3  LYS   7           HE3      LYS   7  -0.329  -0.892   4.802
   56    HZ1  LYS   7           HZ1      LYS   7  -1.098  -2.871   6.870
   57    HZ2  LYS   7           HZ2      LYS   7  -0.018  -1.657   7.056
   58    HZ3  LYS   7           HZ3      LYS   7  -1.627  -1.288   6.795
   59    H    ASP   8           H        ASP   8  -3.531   2.048   3.078
   60    HA   ASP   8           HA       ASP   8  -3.943   4.311   2.290
   61    HB2  ASP   8           HB2      ASP   8  -2.151   4.292   3.791
   62    HB3  ASP   8           HB3      ASP   8  -1.034   3.707   2.571
   63    HD2  ASP   8           HD2      ASP   8   0.307   5.217   2.990
   64    H    PHE   9           H        PHE   9  -4.737   2.819   0.147
   65    HA   PHE   9           HA       PHE   9  -4.946   2.628  -2.146
   66    HB2  PHE   9           HB2      PHE   9  -5.650   4.958  -1.597
   67    HB3  PHE   9           HB3      PHE   9  -4.088   5.576  -2.092
   68    HD1  PHE   9           HD1      PHE   9  -7.118   3.701  -3.357
   69    HD2  PHE   9           HD2      PHE   9  -3.668   6.027  -4.458
   70    HE1  PHE   9           HE1      PHE   9  -7.948   3.858  -5.670
   71    HE2  PHE   9           HE2      PHE   9  -4.515   6.173  -6.761
   72    HZ   PHE   9           HZ       PHE   9  -6.651   5.092  -7.372
   73    H    ILE  10           H        ILE  10  -2.705   1.252  -1.373
   74    HA   ILE  10           HA       ILE  10  -0.677   0.503  -1.864
   75    HB   ILE  10           HB       ILE  10  -2.202   0.885  -4.284
   76   HG12  ILE  10          HG12      ILE  10  -0.364  -1.421  -3.488
   77   HG13  ILE  10          HG11      ILE  10  -1.986  -1.122  -2.835
   78   HG21  ILE  10          HG21      ILE  10  -0.609   0.460  -6.091
   79   HG22  ILE  10          HG22      ILE  10   0.769   0.483  -4.968
   80   HG23  ILE  10          HG23      ILE  10  -0.157   1.972  -5.291
   81   HD11  ILE  10          HD11      ILE  10  -1.384  -1.748  -5.800
   82   HD12  ILE  10          HD12      ILE  10  -2.999  -1.383  -5.133
   83   HD13  ILE  10          HD13      ILE  10  -2.118  -2.836  -4.604
   84    H    ASN  11           H        ASN  11  -0.714   3.263  -1.076
   85    HA   ASN  11           HA       ASN  11   1.981   4.186  -1.823
   86    HB2  ASN  11           HB2      ASN  11   0.031   5.769  -1.588
   87    HB3  ASN  11           HB3      ASN  11   0.035   5.470   0.136
   88   HD21  ASN  11          HD21      ASN  11   3.010   7.889  -1.420
   89   HD22  ASN  11          HD22      ASN  11   2.161   6.662  -2.487
   90    H    ASN  12           H        ASN  12   0.523   3.292   1.369
   91    HA   ASN  12           HA       ASN  12   2.918   3.347   2.861
   92    HB2  ASN  12           HB2      ASN  12   0.627   3.029   3.840
   93    HB3  ASN  12           HB3      ASN  12   0.597   1.370   3.292
   94   HD21  ASN  12          HD21      ASN  12   2.688   2.335   6.717
   95   HD22  ASN  12          HD22      ASN  12   2.114   3.616   5.534
   96    H    LYS  13           H        LYS  13   1.867   0.352   1.200
   97    HA   LYS  13           HA       LYS  13   4.193  -1.188   1.897
   98    HB2  LYS  13           HB2      LYS  13   2.540  -1.562  -0.659
   99    HB3  LYS  13           HB3      LYS  13   3.726  -2.695  -0.052
  100    HG2  LYS  13           HG2      LYS  13   1.060  -1.957   1.233
  101    HG3  LYS  13           HG3      LYS  13   1.484  -3.477   0.485
  102    HD2  LYS  13           HD3      LYS  13   2.587  -2.370   3.142
  103    HD3  LYS  13           HD2      LYS  13   1.382  -3.631   2.950
  104    HE2  LYS  13           HE3      LYS  13   3.117  -5.117   1.792
  105    HE3  LYS  13           HE2      LYS  13   4.333  -3.859   2.059
  106    HZ1  LYS  13           HZ1      LYS  13   2.806  -5.218   4.206
  107    HZ2  LYS  13           HZ2      LYS  13   3.930  -4.055   4.444
  108    HZ3  LYS  13           HZ3      LYS  13   4.393  -5.515   3.773
  109    H    LEU  14           H        LEU  14   3.700   0.943  -0.865
  110    HA   LEU  14           HA       LEU  14   6.292   0.426  -2.171
  111    HB2  LEU  14           HB3      LEU  14   4.235   1.218  -3.328
  112    HB3  LEU  14           HB2      LEU  14   4.276   2.754  -2.501
  113    HG   LEU  14           HG       LEU  14   6.693   1.930  -4.202
  114   HD11  LEU  14          HD21      LEU  14   5.620   2.843  -6.266
  115   HD12  LEU  14          HD22      LEU  14   4.742   1.422  -5.672
  116   HD13  LEU  14          HD23      LEU  14   4.076   3.052  -5.400
  117   HD21  LEU  14          HD11      LEU  14   5.345   4.685  -3.731
  118   HD22  LEU  14          HD12      LEU  14   6.826   4.396  -4.676
  119   HD23  LEU  14          HD13      LEU  14   6.823   4.117  -2.928
  120    H    LEU  15           H        LEU  15   5.409   2.817   0.332
  121    HA   LEU  15           HA       LEU  15   8.074   4.098   0.165
  122    HB2  LEU  15           HB3      LEU  15   5.758   4.523   2.107
  123    HB3  LEU  15           HB2      LEU  15   7.220   5.471   2.119
  124    HG   LEU  15           HG       LEU  15   5.256   5.456  -0.296
  125   HD11  LEU  15          HD21      LEU  15   5.708   7.489   1.957
  126   HD12  LEU  15          HD22      LEU  15   4.630   7.681   0.540
  127   HD13  LEU  15          HD23      LEU  15   4.285   6.426   1.758
  128   HD21  LEU  15          HD11      LEU  15   7.585   5.958  -1.009
  129   HD22  LEU  15          HD12      LEU  15   6.551   7.394  -1.099
  130   HD23  LEU  15          HD13      LEU  15   7.720   7.217   0.244
  131    H    ASN  16           H        ASN  16   7.849   1.274   0.935
  132    HA   ASN  16           HA       ASN  16   9.834   1.253   3.161
  133    HB2  ASN  16           HB2      ASN  16   7.447   1.161   3.903
  134    HB3  ASN  16           HB3      ASN  16   7.337  -0.390   3.098
  135   HD21  ASN  16          HD21      ASN  16   9.262  -0.194   6.772
  136   HD22  ASN  16          HD22      ASN  16   8.880   1.315   5.798
  137    H    GLU  17           H        GLU  17   8.250  -1.287   1.832
  138    HA   GLU  17           HA       GLU  17  10.182  -3.164   1.226
  139    HB2  GLU  17           HB2      GLU  17   7.933  -2.714  -0.655
  140    HB3  GLU  17           HB3      GLU  17   8.876  -4.202  -0.555
  141    HG2  GLU  17           HG3      GLU  17   8.033  -4.161   2.016
  142    HG3  GLU  17           HG2      GLU  17   6.827  -3.042   1.436
  143    HE2  GLU  17           HE2      GLU  17   5.102  -5.341  -0.578
  144    H    HIS  18           H        HIS  18   9.233  -1.195  -1.131
  145    HA   HIS  18           HA       HIS  18  11.965  -0.861  -2.400
  146    HB2  HIS  18           HB2      HIS  18  10.018  -1.958  -3.767
  147    HB3  HIS  18           HB3      HIS  18   9.300  -0.363  -3.861
  148    HD2  HIS  18           HD2      HIS  18   9.749  -1.244  -6.515
  149    HE1  HIS  18           HE2      HIS  18  13.632   0.261  -6.663
  150    HE2  HIS  18           HE3      HIS  18  11.729  -0.567  -8.188
  151    H    ALA  19           H        ALA  19  11.139   0.577  -0.122
  152    HA   ALA  19           HA       ALA  19  10.335   2.818   0.425
  153    HB1  ALA  19           HB1      ALA  19  13.366   2.378   0.731
  154    HB2  ALA  19           HB2      ALA  19  12.408   3.584   1.621
  155    HB3  ALA  19           HB3      ALA  19  12.061   1.869   1.829
  156    H    HIS  20           H        HIS  20   9.856   3.765  -1.611
  157    HA   HIS  20           HA       HIS  20  11.608   5.419  -3.180
  158    HB2  HIS  20           HB3      HIS  20   9.316   4.554  -3.859
  159    HB3  HIS  20           HB2      HIS  20   8.598   5.887  -2.983
  160    HD2  HIS  20           HD2      HIS  20   7.721   6.098  -5.654
  161    HE1  HIS  20           HE2      HIS  20  11.081   8.178  -6.970
  162    HE2  HIS  20           HE3      HIS  20   8.664   7.609  -7.650
  163    HXT  HIS  20           HXT      HIS  20  12.075   8.449  -1.357
  Start of MODEL    8
    1    H1   SER   1           H        SER   1 -12.068  -3.901   1.861
    2    HA   SER   1           HA       SER   1  -9.514  -2.412   1.932
    3    HB2  SER   1           HB3      SER   1  -8.967  -4.748   2.747
    4    HB3  SER   1           HB2      SER   1  -9.698  -5.414   1.268
    5    HG   SER   1           HG       SER   1  -7.479  -3.627   1.430
    6    H    ASP   2           H        ASP   2 -11.884  -4.078  -0.084
    7    HA   ASP   2           HA       ASP   2 -10.672  -2.838  -2.522
    8    HB2  ASP   2           HB2      ASP   2 -11.509  -5.405  -2.477
    9    HB3  ASP   2           HB3      ASP   2 -13.121  -4.723  -2.504
   10    HD2  ASP   2           HD2      ASP   2 -13.108  -4.292  -5.892
   11    H    THR   3           H        THR   3 -11.935  -1.260  -0.458
   12    HA   THR   3           HA       THR   3 -13.713   0.433  -2.145
   13    HB   THR   3           HB       THR   3 -14.809   1.021   0.063
   14    HG1  THR   3           HG1      THR   3 -14.568  -0.393   1.783
   15   HG21  THR   3          HG21      THR   3 -16.297  -0.940   0.300
   16   HG22  THR   3          HG22      THR   3 -15.967  -0.649  -1.431
   17   HG23  THR   3          HG23      THR   3 -15.134  -1.969  -0.570
   18    H    ARG   4           H        ARG   4 -11.139   0.758  -2.369
   19    HA   ARG   4           HA       ARG   4  -9.353   2.219  -2.277
   20    HB2  ARG   4           HB2      ARG   4 -11.183   4.348  -0.959
   21    HB3  ARG   4           HB3      ARG   4  -9.737   4.662  -1.824
   22    HG2  ARG   4           HG2      ARG   4 -12.347   3.504  -3.201
   23    HG3  ARG   4           HG3      ARG   4 -11.919   5.181  -3.212
   24    HD2  ARG   4           HD3      ARG   4  -9.765   4.607  -4.478
   25    HD3  ARG   4           HD2      ARG   4 -10.277   2.908  -4.492
   26    HE   ARG   4           HE       ARG   4 -12.363   4.713  -5.512
   27   HH11  ARG   4          HH11      ARG   4 -12.876   4.696  -7.596
   28   HH12  ARG   4          HH12      ARG   4 -11.767   3.919  -8.834
   29   HH21  ARG   4          HH21      ARG   4  -9.422   2.989  -6.500
   30   HH22  ARG   4          HH22      ARG   4  -9.944   3.019  -8.258
   31    H    TYR   5           H        TYR   5  -9.678   0.485  -0.069
   32    HA   TYR   5           HA       TYR   5  -7.623   1.800   1.790
   33    HB2  TYR   5           HB3      TYR   5 -10.193   1.507   2.568
   34    HB3  TYR   5           HB2      TYR   5  -9.817  -0.178   2.686
   35    HD1  TYR   5           HD1      TYR   5  -8.474  -0.976   4.659
   36    HD2  TYR   5           HD2      TYR   5  -8.940   3.244   3.955
   37    HE1  TYR   5           HE1      TYR   5  -7.592  -0.500   6.898
   38    HE2  TYR   5           HE2      TYR   5  -8.053   3.706   6.198
   39    HH   TYR   5           HH       TYR   5  -7.254   2.847   8.084
   40    H    ASN   6           H        ASN   6  -6.872   0.430  -0.432
   41    HA   ASN   6           HA       ASN   6  -5.811  -2.232   0.618
   42    HB2  ASN   6           HB3      ASN   6  -6.864  -1.932  -1.716
   43    HB3  ASN   6           HB2      ASN   6  -5.450  -1.009  -2.179
   44   HD21  ASN   6          HD21      ASN   6  -5.176  -5.118  -1.868
   45   HD22  ASN   6          HD22      ASN   6  -6.619  -4.197  -1.210
   46    H    LYS   7           H        LYS   7  -4.806  -0.420   2.246
   47    HA   LYS   7           HA       LYS   7  -2.927   0.154   3.298
   48    HB2  LYS   7           HB2      LYS   7  -1.316  -1.291   1.172
   49    HB3  LYS   7           HB3      LYS   7  -0.646  -0.602   2.641
   50    HG2  LYS   7           HG3      LYS   7  -2.746  -2.847   2.500
   51    HG3  LYS   7           HG2      LYS   7  -1.041  -3.078   2.802
   52    HD2  LYS   7           HD2      LYS   7  -3.057  -1.656   4.643
   53    HD3  LYS   7           HD3      LYS   7  -2.430  -3.266   4.871
   54    HE2  LYS   7           HE3      LYS   7  -0.718  -0.684   5.022
   55    HE3  LYS   7           HE2      LYS   7  -1.417  -1.522   6.401
   56    HZ1  LYS   7           HZ1      LYS   7   0.881  -2.113   6.060
   57    HZ2  LYS   7           HZ2      LYS   7   0.592  -2.667   4.549
   58    HZ3  LYS   7           HZ3      LYS   7  -0.092  -3.457   5.853
   59    H    ASP   8           H        ASP   8  -3.589   2.093   3.117
   60    HA   ASP   8           HA       ASP   8  -3.928   4.360   2.304
   61    HB2  ASP   8           HB3      ASP   8  -2.183   4.326   3.843
   62    HB3  ASP   8           HB2      ASP   8  -1.045   3.696   2.669
   63    HD2  ASP   8           HD2      ASP   8  -2.133   7.626   2.299
   64    H    PHE   9           H        PHE   9  -4.721   2.875   0.164
   65    HA   PHE   9           HA       PHE   9  -4.903   2.664  -2.119
   66    HB2  PHE   9           HB3      PHE   9  -5.558   5.018  -1.606
   67    HB3  PHE   9           HB2      PHE   9  -3.981   5.592  -2.103
   68    HD1  PHE   9           HD1      PHE   9  -7.003   3.679  -3.360
   69    HD2  PHE   9           HD2      PHE   9  -3.582   6.047  -4.465
   70    HE1  PHE   9           HE1      PHE   9  -7.793   3.758  -5.684
   71    HE2  PHE   9           HE2      PHE   9  -4.403   6.131  -6.783
   72    HZ   PHE   9           HZ       PHE   9  -6.508   4.987  -7.398
   73    H    ILE  10           H        ILE  10  -2.706   1.241  -1.315
   74    HA   ILE  10           HA       ILE  10  -0.697   0.444  -1.780
   75    HB   ILE  10           HB       ILE  10  -2.189   0.838  -4.217
   76   HG12  ILE  10          HG11      ILE  10  -0.397  -1.494  -3.390
   77   HG13  ILE  10          HG12      ILE  10  -2.019  -1.161  -2.757
   78   HG21  ILE  10          HG21      ILE  10  -0.592   0.382  -6.011
   79   HG22  ILE  10          HG22      ILE  10   0.779   0.380  -4.880
   80   HG23  ILE  10          HG23      ILE  10  -0.116   1.887  -5.211
   81   HD11  ILE  10          HD11      ILE  10  -3.013  -1.423  -5.064
   82   HD12  ILE  10          HD12      ILE  10  -2.160  -2.886  -4.518
   83   HD13  ILE  10          HD13      ILE  10  -1.397  -1.817  -5.713
   84    H    ASN  11           H        ASN  11  -0.681   3.231  -1.053
   85    HA   ASN  11           HA       ASN  11   2.048   4.069  -1.776
   86    HB2  ASN  11           HB3      ASN  11   0.158   5.719  -1.594
   87    HB3  ASN  11           HB2      ASN  11   0.109   5.434   0.131
   88   HD21  ASN  11          HD21      ASN  11   3.199   7.743  -1.377
   89   HD22  ASN  11          HD22      ASN  11   2.330   6.538  -2.454
   90    H    ASN  12           H        ASN  12   0.531   3.241   1.407
   91    HA   ASN  12           HA       ASN  12   2.911   3.244   2.926
   92    HB2  ASN  12           HB2      ASN  12   0.615   2.983   3.893
   93    HB3  ASN  12           HB3      ASN  12   0.538   1.328   3.336
   94   HD21  ASN  12          HD21      ASN  12   2.636   2.207   6.778
   95   HD22  ASN  12          HD22      ASN  12   2.108   3.515   5.600
   96    H    LYS  13           H        LYS  13   1.815   0.287   1.232
   97    HA   LYS  13           HA       LYS  13   4.099  -1.311   1.950
   98    HB2  LYS  13           HB2      LYS  13   2.461  -1.628  -0.629
   99    HB3  LYS  13           HB3      LYS  13   3.609  -2.797  -0.017
  100    HG2  LYS  13           HG2      LYS  13   0.946  -1.999   1.245
  101    HG3  LYS  13           HG3      LYS  13   1.341  -3.523   0.484
  102    HD2  LYS  13           HD3      LYS  13   2.439  -2.468   3.164
  103    HD3  LYS  13           HD2      LYS  13   1.211  -3.702   2.941
  104    HE2  LYS  13           HE3      LYS  13   2.933  -5.212   1.794
  105    HE3  LYS  13           HE2      LYS  13   4.169  -3.980   2.096
  106    HZ1  LYS  13           HZ1      LYS  13   4.154  -5.690   3.782
  107    HZ2  LYS  13           HZ2      LYS  13   2.595  -5.392   4.173
  108    HZ3  LYS  13           HZ3      LYS  13   3.749  -4.216   4.457
  109    H    LEU  14           H        LEU  14   3.688   0.848  -0.809
  110    HA   LEU  14           HA       LEU  14   6.295   0.248  -2.061
  111    HB2  LEU  14           HB2      LEU  14   4.307   1.159  -3.328
  112    HB3  LEU  14           HB3      LEU  14   4.424   2.666  -2.436
  113    HG   LEU  14           HG       LEU  14   6.654   3.139  -3.490
  114   HD11  LEU  14          HD11      LEU  14   7.449   1.800  -5.464
  115   HD12  LEU  14          HD12      LEU  14   6.182   0.582  -5.168
  116   HD13  LEU  14          HD13      LEU  14   7.487   0.831  -3.983
  117   HD21  LEU  14          HD21      LEU  14   4.561   4.036  -4.508
  118   HD22  LEU  14          HD22      LEU  14   4.402   2.581  -5.524
  119   HD23  LEU  14          HD23      LEU  14   5.775   3.692  -5.754
  120    H    LEU  15           H        LEU  15   5.428   2.637   0.454
  121    HA   LEU  15           HA       LEU  15   8.104   3.894   0.306
  122    HB2  LEU  15           HB3      LEU  15   5.801   4.285   2.275
  123    HB3  LEU  15           HB2      LEU  15   7.273   5.219   2.310
  124    HG   LEU  15           HG       LEU  15   5.303   5.295  -0.097
  125   HD11  LEU  15          HD11      LEU  15   5.781   7.251   2.219
  126   HD12  LEU  15          HD12      LEU  15   4.709   7.505   0.805
  127   HD13  LEU  15          HD13      LEU  15   4.342   6.216   1.981
  128   HD21  LEU  15          HD21      LEU  15   7.621   5.793  -0.815
  129   HD22  LEU  15          HD22      LEU  15   7.800   6.997   0.483
  130   HD23  LEU  15          HD23      LEU  15   6.620   7.253  -0.834
  131    H    ASN  16           H        ASN  16   7.840   1.047   1.027
  132    HA   ASN  16           HA       ASN  16   9.849   0.946   3.229
  133    HB2  ASN  16           HB2      ASN  16   7.466   0.885   3.978
  134    HB3  ASN  16           HB3      ASN  16   7.299  -0.620   3.103
  135   HD21  ASN  16          HD21      ASN  16   9.234  -0.659   6.780
  136   HD22  ASN  16          HD22      ASN  16   8.912   0.905   5.873
  137    H    GLU  17           H        GLU  17   8.219  -1.547   1.899
  138    HA   GLU  17           HA       GLU  17  10.099  -3.464   1.282
  139    HB2  GLU  17           HB2      GLU  17   7.837  -2.971  -0.580
  140    HB3  GLU  17           HB3      GLU  17   8.734  -4.489  -0.477
  141    HG2  GLU  17           HG3      GLU  17   7.918  -4.409   2.099
  142    HG3  GLU  17           HG2      GLU  17   6.748  -3.247   1.529
  143    HE2  GLU  17           HE2      GLU  17   4.930  -5.491  -0.477
  144    H    HIS  18           H        HIS  18   9.259  -1.299  -0.921
  145    HA   HIS  18           HA       HIS  18  11.959  -1.120  -2.286
  146    HB2  HIS  18           HB3      HIS  18   9.245  -1.173  -3.748
  147    HB3  HIS  18           HB2      HIS  18  10.700  -0.579  -4.518
  148    HD2  HIS  18           HD2      HIS  18   9.549  -2.612  -6.141
  149    HE1  HIS  18           HE2      HIS  18  12.078  -5.503  -4.538
  150    HE2  HIS  18           HE3      HIS  18  10.570  -5.039  -6.569
  151    H    ALA  19           H        ALA  19  11.382   0.321  -0.170
  152    HA   ALA  19           HA       ALA  19  10.200   2.521   0.301
  153    HB1  ALA  19           HB1      ALA  19  13.253   2.282   0.630
  154    HB2  ALA  19           HB2      ALA  19  11.976   1.715   1.735
  155    HB3  ALA  19           HB3      ALA  19  12.209   3.447   1.481
  156    H    HIS  20           H        HIS  20   9.691   3.331  -1.718
  157    HA   HIS  20           HA       HIS  20  11.209   4.944  -3.506
  158    HB2  HIS  20           HB2      HIS  20   8.864   4.057  -3.869
  159    HB3  HIS  20           HB3      HIS  20   8.235   5.410  -2.953
  160    HD2  HIS  20           HD2      HIS  20   7.013   5.508  -5.489
  161    HE1  HIS  20           HE2      HIS  20  10.140   7.556  -7.328
  162    HE2  HIS  20           HE3      HIS  20   7.662   6.937  -7.656
  163    HXT  HIS  20           HXT      HIS  20  11.893   8.081  -1.959
  Start of MODEL    9
    1    H1   SER   1           H        SER   1 -12.068  -3.901   1.861
    2    HA   SER   1           HA       SER   1  -9.514  -2.412   1.932
    3    HB2  SER   1           HB3      SER   1  -8.967  -4.748   2.747
    4    HB3  SER   1           HB2      SER   1  -9.698  -5.414   1.268
    5    HG   SER   1           HG       SER   1  -7.479  -3.627   1.430
    6    H    ASP   2           H        ASP   2 -11.884  -4.078  -0.084
    7    HA   ASP   2           HA       ASP   2 -10.672  -2.838  -2.522
    8    HB2  ASP   2           HB2      ASP   2 -11.509  -5.405  -2.477
    9    HB3  ASP   2           HB3      ASP   2 -13.121  -4.723  -2.504
   10    HD2  ASP   2           HD2      ASP   2 -13.108  -4.292  -5.892
   11    H    THR   3           H        THR   3 -11.935  -1.260  -0.458
   12    HA   THR   3           HA       THR   3 -13.713   0.433  -2.145
   13    HB   THR   3           HB       THR   3 -14.809   1.021   0.063
   14    HG1  THR   3           HG1      THR   3 -14.568  -0.393   1.783
   15   HG21  THR   3          HG21      THR   3 -16.297  -0.940   0.300
   16   HG22  THR   3          HG22      THR   3 -15.967  -0.649  -1.431
   17   HG23  THR   3          HG23      THR   3 -15.134  -1.969  -0.570
   18    H    ARG   4           H        ARG   4 -11.139   0.758  -2.369
   19    HA   ARG   4           HA       ARG   4  -9.353   2.219  -2.277
   20    HB2  ARG   4           HB2      ARG   4 -11.183   4.348  -0.959
   21    HB3  ARG   4           HB3      ARG   4  -9.737   4.662  -1.824
   22    HG2  ARG   4           HG2      ARG   4 -12.347   3.504  -3.201
   23    HG3  ARG   4           HG3      ARG   4 -11.919   5.181  -3.212
   24    HD2  ARG   4           HD3      ARG   4  -9.765   4.607  -4.478
   25    HD3  ARG   4           HD2      ARG   4 -10.277   2.908  -4.492
   26    HE   ARG   4           HE       ARG   4 -12.363   4.713  -5.512
   27   HH11  ARG   4          HH11      ARG   4 -12.876   4.696  -7.596
   28   HH12  ARG   4          HH12      ARG   4 -11.767   3.919  -8.834
   29   HH21  ARG   4          HH21      ARG   4  -9.422   2.989  -6.500
   30   HH22  ARG   4          HH22      ARG   4  -9.944   3.019  -8.258
   31    H    TYR   5           H        TYR   5  -9.678   0.485  -0.069
   32    HA   TYR   5           HA       TYR   5  -7.623   1.800   1.790
   33    HB2  TYR   5           HB3      TYR   5 -10.193   1.507   2.568
   34    HB3  TYR   5           HB2      TYR   5  -9.817  -0.178   2.686
   35    HD1  TYR   5           HD1      TYR   5  -8.474  -0.976   4.659
   36    HD2  TYR   5           HD2      TYR   5  -8.940   3.244   3.955
   37    HE1  TYR   5           HE1      TYR   5  -7.592  -0.500   6.898
   38    HE2  TYR   5           HE2      TYR   5  -8.053   3.706   6.198
   39    HH   TYR   5           HH       TYR   5  -7.254   2.847   8.084
   40    H    ASN   6           H        ASN   6  -6.872   0.430  -0.432
   41    HA   ASN   6           HA       ASN   6  -5.811  -2.232   0.618
   42    HB2  ASN   6           HB3      ASN   6  -6.864  -1.932  -1.716
   43    HB3  ASN   6           HB2      ASN   6  -5.450  -1.009  -2.179
   44   HD21  ASN   6          HD21      ASN   6  -5.176  -5.118  -1.868
   45   HD22  ASN   6          HD22      ASN   6  -6.619  -4.197  -1.210
   46    H    LYS   7           H        LYS   7  -4.806  -0.420   2.246
   47    HA   LYS   7           HA       LYS   7  -2.927   0.154   3.298
   48    HB2  LYS   7           HB2      LYS   7  -1.316  -1.291   1.172
   49    HB3  LYS   7           HB3      LYS   7  -0.646  -0.602   2.641
   50    HG2  LYS   7           HG3      LYS   7  -2.746  -2.847   2.500
   51    HG3  LYS   7           HG2      LYS   7  -1.041  -3.078   2.802
   52    HD2  LYS   7           HD2      LYS   7  -3.057  -1.656   4.643
   53    HD3  LYS   7           HD3      LYS   7  -2.430  -3.266   4.871
   54    HE2  LYS   7           HE3      LYS   7  -0.718  -0.684   5.022
   55    HE3  LYS   7           HE2      LYS   7  -1.417  -1.522   6.401
   56    HZ1  LYS   7           HZ1      LYS   7   0.881  -2.113   6.060
   57    HZ2  LYS   7           HZ2      LYS   7   0.592  -2.667   4.549
   58    HZ3  LYS   7           HZ3      LYS   7  -0.092  -3.457   5.853
   59    H    ASP   8           H        ASP   8  -3.589   2.093   3.117
   60    HA   ASP   8           HA       ASP   8  -3.928   4.360   2.304
   61    HB2  ASP   8           HB3      ASP   8  -2.183   4.326   3.843
   62    HB3  ASP   8           HB2      ASP   8  -1.045   3.696   2.669
   63    HD2  ASP   8           HD2      ASP   8  -2.133   7.626   2.299
   64    H    PHE   9           H        PHE   9  -4.721   2.875   0.164
   65    HA   PHE   9           HA       PHE   9  -4.903   2.664  -2.119
   66    HB2  PHE   9           HB3      PHE   9  -5.558   5.018  -1.606
   67    HB3  PHE   9           HB2      PHE   9  -3.981   5.592  -2.103
   68    HD1  PHE   9           HD1      PHE   9  -7.003   3.679  -3.360
   69    HD2  PHE   9           HD2      PHE   9  -3.582   6.047  -4.465
   70    HE1  PHE   9           HE1      PHE   9  -7.793   3.758  -5.684
   71    HE2  PHE   9           HE2      PHE   9  -4.403   6.131  -6.783
   72    HZ   PHE   9           HZ       PHE   9  -6.508   4.987  -7.398
   73    H    ILE  10           H        ILE  10  -2.706   1.241  -1.315
   74    HA   ILE  10           HA       ILE  10  -0.697   0.444  -1.780
   75    HB   ILE  10           HB       ILE  10  -2.189   0.838  -4.217
   76   HG12  ILE  10          HG11      ILE  10  -0.397  -1.494  -3.390
   77   HG13  ILE  10          HG12      ILE  10  -2.019  -1.161  -2.757
   78   HG21  ILE  10          HG21      ILE  10  -0.592   0.382  -6.011
   79   HG22  ILE  10          HG22      ILE  10   0.779   0.380  -4.880
   80   HG23  ILE  10          HG23      ILE  10  -0.116   1.887  -5.211
   81   HD11  ILE  10          HD11      ILE  10  -3.013  -1.423  -5.064
   82   HD12  ILE  10          HD12      ILE  10  -2.160  -2.886  -4.518
   83   HD13  ILE  10          HD13      ILE  10  -1.397  -1.817  -5.713
   84    H    ASN  11           H        ASN  11  -0.681   3.231  -1.053
   85    HA   ASN  11           HA       ASN  11   2.048   4.069  -1.776
   86    HB2  ASN  11           HB3      ASN  11   0.158   5.719  -1.594
   87    HB3  ASN  11           HB2      ASN  11   0.109   5.434   0.131
   88   HD21  ASN  11          HD21      ASN  11   3.199   7.743  -1.377
   89   HD22  ASN  11          HD22      ASN  11   2.330   6.538  -2.454
   90    H    ASN  12           H        ASN  12   0.531   3.241   1.407
   91    HA   ASN  12           HA       ASN  12   2.911   3.244   2.926
   92    HB2  ASN  12           HB2      ASN  12   0.615   2.983   3.893
   93    HB3  ASN  12           HB3      ASN  12   0.538   1.328   3.336
   94   HD21  ASN  12          HD21      ASN  12   2.636   2.207   6.778
   95   HD22  ASN  12          HD22      ASN  12   2.108   3.515   5.600
   96    H    LYS  13           H        LYS  13   1.815   0.287   1.232
   97    HA   LYS  13           HA       LYS  13   4.099  -1.311   1.950
   98    HB2  LYS  13           HB2      LYS  13   2.461  -1.628  -0.629
   99    HB3  LYS  13           HB3      LYS  13   3.609  -2.797  -0.017
  100    HG2  LYS  13           HG2      LYS  13   0.946  -1.999   1.245
  101    HG3  LYS  13           HG3      LYS  13   1.341  -3.523   0.484
  102    HD2  LYS  13           HD3      LYS  13   2.439  -2.468   3.164
  103    HD3  LYS  13           HD2      LYS  13   1.211  -3.702   2.941
  104    HE2  LYS  13           HE3      LYS  13   2.933  -5.212   1.794
  105    HE3  LYS  13           HE2      LYS  13   4.169  -3.980   2.096
  106    HZ1  LYS  13           HZ1      LYS  13   4.154  -5.690   3.782
  107    HZ2  LYS  13           HZ2      LYS  13   2.595  -5.392   4.173
  108    HZ3  LYS  13           HZ3      LYS  13   3.749  -4.216   4.457
  109    H    LEU  14           H        LEU  14   3.688   0.848  -0.809
  110    HA   LEU  14           HA       LEU  14   6.295   0.248  -2.061
  111    HB2  LEU  14           HB2      LEU  14   4.307   1.159  -3.328
  112    HB3  LEU  14           HB3      LEU  14   4.424   2.666  -2.436
  113    HG   LEU  14           HG       LEU  14   6.654   3.139  -3.490
  114   HD11  LEU  14          HD11      LEU  14   7.449   1.800  -5.464
  115   HD12  LEU  14          HD12      LEU  14   6.182   0.582  -5.168
  116   HD13  LEU  14          HD13      LEU  14   7.487   0.831  -3.983
  117   HD21  LEU  14          HD21      LEU  14   4.561   4.036  -4.508
  118   HD22  LEU  14          HD22      LEU  14   4.402   2.581  -5.524
  119   HD23  LEU  14          HD23      LEU  14   5.775   3.692  -5.754
  120    H    LEU  15           H        LEU  15   5.428   2.637   0.454
  121    HA   LEU  15           HA       LEU  15   8.104   3.894   0.306
  122    HB2  LEU  15           HB3      LEU  15   5.801   4.285   2.275
  123    HB3  LEU  15           HB2      LEU  15   7.273   5.219   2.310
  124    HG   LEU  15           HG       LEU  15   5.303   5.295  -0.097
  125   HD11  LEU  15          HD11      LEU  15   5.781   7.251   2.219
  126   HD12  LEU  15          HD12      LEU  15   4.709   7.505   0.805
  127   HD13  LEU  15          HD13      LEU  15   4.342   6.216   1.981
  128   HD21  LEU  15          HD21      LEU  15   7.621   5.793  -0.815
  129   HD22  LEU  15          HD22      LEU  15   7.800   6.997   0.483
  130   HD23  LEU  15          HD23      LEU  15   6.620   7.253  -0.834
  131    H    ASN  16           H        ASN  16   7.840   1.047   1.027
  132    HA   ASN  16           HA       ASN  16   9.849   0.946   3.229
  133    HB2  ASN  16           HB2      ASN  16   7.466   0.885   3.978
  134    HB3  ASN  16           HB3      ASN  16   7.299  -0.620   3.103
  135   HD21  ASN  16          HD21      ASN  16   9.234  -0.659   6.780
  136   HD22  ASN  16          HD22      ASN  16   8.912   0.905   5.873
  137    H    GLU  17           H        GLU  17   8.219  -1.547   1.899
  138    HA   GLU  17           HA       GLU  17  10.099  -3.464   1.282
  139    HB2  GLU  17           HB2      GLU  17   7.837  -2.971  -0.580
  140    HB3  GLU  17           HB3      GLU  17   8.734  -4.489  -0.477
  141    HG2  GLU  17           HG3      GLU  17   7.918  -4.409   2.099
  142    HG3  GLU  17           HG2      GLU  17   6.748  -3.247   1.529
  143    HE2  GLU  17           HE2      GLU  17   4.930  -5.491  -0.477
  144    H    HIS  18           H        HIS  18   9.259  -1.299  -0.921
  145    HA   HIS  18           HA       HIS  18  11.959  -1.120  -2.286
  146    HB2  HIS  18           HB3      HIS  18   9.245  -1.173  -3.748
  147    HB3  HIS  18           HB2      HIS  18  10.700  -0.579  -4.518
  148    HD2  HIS  18           HD2      HIS  18   9.549  -2.612  -6.141
  149    HE1  HIS  18           HE2      HIS  18  12.078  -5.503  -4.538
  150    HE2  HIS  18           HE3      HIS  18  10.570  -5.039  -6.569
  151    H    ALA  19           H        ALA  19  11.382   0.321  -0.170
  152    HA   ALA  19           HA       ALA  19  10.200   2.521   0.301
  153    HB1  ALA  19           HB1      ALA  19  13.253   2.282   0.630
  154    HB2  ALA  19           HB2      ALA  19  11.976   1.715   1.735
  155    HB3  ALA  19           HB3      ALA  19  12.209   3.447   1.481
  156    H    HIS  20           H        HIS  20   9.691   3.331  -1.718
  157    HA   HIS  20           HA       HIS  20  11.209   4.944  -3.506
  158    HB2  HIS  20           HB2      HIS  20   8.864   4.057  -3.869
  159    HB3  HIS  20           HB3      HIS  20   8.235   5.410  -2.953
  160    HD2  HIS  20           HD2      HIS  20   7.013   5.508  -5.489
  161    HE1  HIS  20           HE2      HIS  20  10.140   7.556  -7.328
  162    HE2  HIS  20           HE3      HIS  20   7.662   6.937  -7.656
  163    HXT  HIS  20           HXT      HIS  20  11.893   8.081  -1.959
  Start of MODEL   10
    1    H1   SER   1           H        SER   1 -12.843  -0.265   5.594
    2    HA   SER   1           HA       SER   1 -10.079  -0.003   4.608
    3    HB2  SER   1           HB3      SER   1 -10.261  -2.434   5.294
    4    HB3  SER   1           HB2      SER   1 -11.719  -2.587   4.288
    5    HG   SER   1           HG       SER   1 -10.387  -2.046   2.484
    6    H    ASP   2           H        ASP   2 -13.480  -0.388   3.787
    7    HA   ASP   2           HA       ASP   2 -12.946   0.432   0.964
    8    HB2  ASP   2           HB3      ASP   2 -14.649  -1.569   1.581
    9    HB3  ASP   2           HB2      ASP   2 -15.717  -0.297   2.125
   10    HD2  ASP   2           HD2      ASP   2 -16.867   0.353  -1.026
   11    H    THR   3           H        THR   3 -12.485   2.211   3.115
   12    HA   THR   3           HA       THR   3 -13.901   4.601   2.079
   13    HB   THR   3           HB       THR   3 -15.386   4.031   3.890
   14    HG1  THR   3           HG1      THR   3 -14.906   6.180   3.422
   15   HG21  THR   3          HG21      THR   3 -13.885   2.805   5.478
   16   HG22  THR   3          HG22      THR   3 -13.044   4.328   5.873
   17   HG23  THR   3          HG23      THR   3 -14.770   4.129   6.276
   18    H    ARG   4           H        ARG   4 -11.673   4.123   1.195
   19    HA   ARG   4           HA       ARG   4  -9.501   4.780   0.811
   20    HB2  ARG   4           HB3      ARG   4 -10.127   7.206   2.639
   21    HB3  ARG   4           HB2      ARG   4  -8.763   7.106   1.603
   22    HG2  ARG   4           HG2      ARG   4 -11.724   7.073   0.500
   23    HG3  ARG   4           HG3      ARG   4 -10.747   8.493   0.531
   24    HD2  ARG   4           HD2      ARG   4 -10.133   5.944  -1.091
   25    HD3  ARG   4           HD3      ARG   4 -10.882   7.418  -1.692
   26    HE   ARG   4           HE       ARG   4  -8.356   8.152  -0.532
   27   HH11  ARG   4          HH11      ARG   4  -8.068   6.760  -4.311
   28   HH12  ARG   4          HH12      ARG   4  -9.585   6.378  -3.351
   29   HH21  ARG   4          HH21      ARG   4  -6.503   7.896  -3.459
   30   HH22  ARG   4          HH22      ARG   4  -6.615   8.532  -1.743
   31    H    TYR   5           H        TYR   5  -9.797   2.908   2.905
   32    HA   TYR   5           HA       TYR   5  -6.945   3.161   3.994
   33    HB2  TYR   5           HB2      TYR   5  -9.100   3.655   5.586
   34    HB3  TYR   5           HB3      TYR   5  -9.304   1.939   5.556
   35    HD1  TYR   5           HD1      TYR   5  -7.666   0.507   6.900
   36    HD2  TYR   5           HD2      TYR   5  -7.041   4.751   6.540
   37    HE1  TYR   5           HE1      TYR   5  -6.012   0.423   8.707
   38    HE2  TYR   5           HE2      TYR   5  -5.384   4.649   8.349
   39    HH   TYR   5           HH       TYR   5  -4.319   3.360   9.810
   40    H    ASN   6           H        ASN   6  -7.455   1.987   1.649
   41    HA   ASN   6           HA       ASN   6  -6.910  -0.980   2.242
   42    HB2  ASN   6           HB3      ASN   6  -8.790  -0.282   0.634
   43    HB3  ASN   6           HB2      ASN   6  -7.581   0.382  -0.442
   44   HD21  ASN   6          HD21      ASN   6  -8.067  -3.715  -0.262
   45   HD22  ASN   6          HD22      ASN   6  -8.819  -2.604   0.989
   46    H    LYS   7           H        LYS   7  -4.929   0.220   3.204
   47    HA   LYS   7           HA       LYS   7  -2.578   0.320   3.249
   48    HB2  LYS   7           HB2      LYS   7  -2.607  -0.882   0.444
   49    HB3  LYS   7           HB3      LYS   7  -1.215  -0.780   1.467
   50    HG2  LYS   7           HG2      LYS   7  -3.724  -2.484   1.969
   51    HG3  LYS   7           HG3      LYS   7  -2.178  -3.076   1.408
   52    HD2  LYS   7           HD2      LYS   7  -2.760  -1.904   4.206
   53    HD3  LYS   7           HD3      LYS   7  -2.676  -3.610   3.797
   54    HE2  LYS   7           HE3      LYS   7  -0.219  -3.330   3.139
   55    HE3  LYS   7           HE2      LYS   7  -0.311  -1.633   3.637
   56    HZ1  LYS   7           HZ1      LYS   7   0.559  -2.979   5.389
   57    HZ2  LYS   7           HZ2      LYS   7  -0.870  -2.338   5.860
   58    HZ3  LYS   7           HZ3      LYS   7  -0.805  -3.944   5.403
   59    H    ASP   8           H        ASP   8  -3.499   2.669   3.183
   60    HA   ASP   8           HA       ASP   8  -3.710   4.919   2.035
   61    HB2  ASP   8           HB3      ASP   8  -2.047   4.681   3.677
   62    HB3  ASP   8           HB2      ASP   8  -0.918   3.996   2.530
   63    HD2  ASP   8           HD2      ASP   8  -0.111   5.802   3.941
   64    H    PHE   9           H        PHE   9  -4.513   3.050   0.179
   65    HA   PHE   9           HA       PHE   9  -4.721   2.561  -2.065
   66    HB2  PHE   9           HB3      PHE   9  -5.664   4.899  -1.681
   67    HB3  PHE   9           HB2      PHE   9  -4.200   5.583  -2.343
   68    HD1  PHE   9           HD1      PHE   9  -7.005   3.163  -3.207
   69    HD2  PHE   9           HD2      PHE   9  -4.165   6.024  -4.719
   70    HE1  PHE   9           HE1      PHE   9  -8.057   3.051  -5.430
   71    HE2  PHE   9           HE2      PHE   9  -5.233   5.899  -6.931
   72    HZ   PHE   9           HZ       PHE   9  -7.177   4.416  -7.292
   73    H    ILE  10           H        ILE  10  -2.055   1.889  -1.151
   74    HA   ILE  10           HA       ILE  10   0.451   1.906  -1.892
   75    HB   ILE  10           HB       ILE  10  -1.641   0.669  -3.759
   76   HG12  ILE  10          HG12      ILE  10   0.290  -0.903  -1.986
   77   HG13  ILE  10          HG11      ILE  10  -1.144  -0.152  -1.311
   78   HG21  ILE  10          HG21      ILE  10   0.112   0.870  -5.380
   79   HG22  ILE  10          HG22      ILE  10   1.335   0.273  -4.246
   80   HG23  ILE  10          HG23      ILE  10   0.089  -0.821  -4.877
   81   HD11  ILE  10          HD11      ILE  10  -2.604  -1.428  -2.879
   82   HD12  ILE  10          HD12      ILE  10  -1.159  -2.253  -3.543
   83   HD13  ILE  10          HD13      ILE  10  -1.607  -2.475  -1.829
   84    H    ASN  11           H        ASN  11  -0.458   4.062  -1.842
   85    HA   ASN  11           HA       ASN  11   1.407   5.543  -3.598
   86    HB2  ASN  11           HB2      ASN  11  -1.083   6.310  -3.485
   87    HB3  ASN  11           HB3      ASN  11  -0.844   6.654  -1.791
   88   HD21  ASN  11          HD21      ASN  11   0.781   9.255  -4.552
   89   HD22  ASN  11          HD22      ASN  11   0.159   7.599  -5.044
   90    H    ASN  12           H        ASN  12   0.476   5.966  -0.110
   91    HA   ASN  12           HA       ASN  12   2.106   6.600   1.588
   92    HB2  ASN  12           HB2      ASN  12   0.936   4.544   1.736
   93    HB3  ASN  12           HB3      ASN  12   2.235   3.768   0.947
   94   HD21  ASN  12          HD21      ASN  12   2.890   5.123   4.864
   95   HD22  ASN  12          HD22      ASN  12   2.031   6.149   3.599
   96    H    LYS  13           H        LYS  13   3.688   5.697  -1.297
   97    HA   LYS  13           HA       LYS  13   5.861   6.115  -2.172
   98    HB2  LYS  13           HB3      LYS  13   6.240   8.071   0.153
   99    HB3  LYS  13           HB2      LYS  13   7.312   7.898  -1.235
  100    HG2  LYS  13           HG2      LYS  13   4.368   8.810  -1.319
  101    HG3  LYS  13           HG3      LYS  13   5.746   9.882  -1.391
  102    HD2  LYS  13           HD3      LYS  13   5.042   7.751  -3.516
  103    HD3  LYS  13           HD2      LYS  13   4.585   9.441  -3.595
  104    HE2  LYS  13           HE2      LYS  13   7.021  10.142  -3.657
  105    HE3  LYS  13           HE3      LYS  13   7.519   8.447  -3.561
  106    HZ1  LYS  13           HZ1      LYS  13   7.512   9.200  -5.815
  107    HZ2  LYS  13           HZ2      LYS  13   6.386   8.027  -5.640
  108    HZ3  LYS  13           HZ3      LYS  13   5.897   9.623  -5.733
  109    H    LEU  14           H        LEU  14   4.998   4.100  -0.512
  110    HA   LEU  14           HA       LEU  14   7.380   2.583   0.140
  111    HB2  LEU  14           HB3      LEU  14   6.691   4.232   2.124
  112    HB3  LEU  14           HB2      LEU  14   5.309   3.253   2.316
  113    HG   LEU  14           HG       LEU  14   8.204   2.188   2.594
  114   HD11  LEU  14          HD21      LEU  14   7.908   2.379   5.072
  115   HD12  LEU  14          HD22      LEU  14   6.302   3.119   4.848
  116   HD13  LEU  14          HD23      LEU  14   7.767   3.967   4.297
  117   HD21  LEU  14          HD11      LEU  14   7.161   0.283   3.910
  118   HD22  LEU  14          HD12      LEU  14   6.625   0.296   2.228
  119   HD23  LEU  14          HD13      LEU  14   5.538   0.898   3.504
  120    H    LEU  15           H        LEU  15   3.580   2.785   0.612
  121    HA   LEU  15           HA       LEU  15   3.668  -0.100   0.117
  122    HB2  LEU  15           HB3      LEU  15   1.341   1.842   0.369
  123    HB3  LEU  15           HB2      LEU  15   1.101   0.144   0.078
  124    HG   LEU  15           HG       LEU  15   2.841   1.024   2.496
  125   HD11  LEU  15          HD11      LEU  15  -0.153   0.539   2.693
  126   HD12  LEU  15          HD12      LEU  15   0.610   2.141   2.702
  127   HD13  LEU  15          HD13      LEU  15   0.991   0.963   3.976
  128   HD21  LEU  15          HD21      LEU  15   1.383  -1.570   1.855
  129   HD22  LEU  15          HD22      LEU  15   3.144  -1.286   1.860
  130   HD23  LEU  15          HD23      LEU  15   2.248  -1.182   3.382
  131    H    ASN  16           H        ASN  16   4.648   1.767  -1.997
  132    HA   ASN  16           HA       ASN  16   3.436   0.477  -4.418
  133    HB2  ASN  16           HB2      ASN  16   3.121   3.086  -4.089
  134    HB3  ASN  16           HB3      ASN  16   4.830   3.223  -4.290
  135   HD21  ASN  16          HD21      ASN  16   2.669   2.250  -7.707
  136   HD22  ASN  16          HD22      ASN  16   2.086   1.672  -6.067
  137    H    GLU  17           H        GLU  17   5.016  -1.288  -3.720
  138    HA   GLU  17           HA       GLU  17   7.196  -2.159  -3.115
  139    HB2  GLU  17           HB3      GLU  17   6.894  -1.501  -5.997
  140    HB3  GLU  17           HB2      GLU  17   8.154  -2.607  -5.419
  141    HG2  GLU  17           HG3      GLU  17   6.083  -3.898  -4.294
  142    HG3  GLU  17           HG2      GLU  17   5.086  -2.941  -5.360
  143    HE2  GLU  17           HE2      GLU  17   7.479  -5.288  -5.150
  144    H    HIS  18           H        HIS  18   7.653  -0.114  -1.824
  145    HA   HIS  18           HA       HIS  18   9.043   1.557  -1.059
  146    HB2  HIS  18           HB2      HIS  18  10.475  -0.539  -1.249
  147    HB3  HIS  18           HB3      HIS  18  11.266   0.182  -2.646
  148    HD2  HIS  18           HD2      HIS  18  13.268  -0.301  -0.707
  149    HE1  HIS  18           HE2      HIS  18  12.707   3.342   1.237
  150    HE2  HIS  18           HE3      HIS  18  14.400   1.414   1.012
  151    H    ALA  19           H        ALA  19   7.457   2.475  -3.160
  152    HA   ALA  19           HA       ALA  19   7.137   4.453  -4.314
  153    HB1  ALA  19           HB1      ALA  19   8.385   5.737  -2.628
  154    HB2  ALA  19           HB2      ALA  19   9.925   5.418  -3.463
  155    HB3  ALA  19           HB3      ALA  19   8.663   6.387  -4.253
  156    H    HIS  20           H        HIS  20   6.997   3.039  -6.108
  157    HA   HIS  20           HA       HIS  20   9.249   2.746  -7.967
  158    HB2  HIS  20           HB2      HIS  20   7.446   0.991  -7.516
  159    HB3  HIS  20           HB3      HIS  20   6.326   1.966  -8.451
  160    HD2  HIS  20           HD2      HIS  20   6.450  -0.565  -9.691
  161    HE1  HIS  20           HE2      HIS  20   9.797   0.350 -11.996
  162    HE2  HIS  20           HE3      HIS  20   7.868  -1.347 -11.822
  163    HXT  HIS  20           HXT      HIS  20   8.615   5.616 -10.025
  Start of MODEL   11
    1    H1   SER   1           H        SER   1 -12.510  -3.362   0.651
    2    HA   SER   1           HA       SER   1  -9.800  -2.305   1.125
    3    HB2  SER   1           HB2      SER   1  -9.676  -4.710   1.909
    4    HB3  SER   1           HB3      SER   1 -10.331  -5.233   0.342
    5    HG   SER   1           HG       SER   1  -8.053  -5.365   0.484
    6    H    ASP   2           H        ASP   2 -12.090  -3.608  -1.211
    7    HA   ASP   2           HA       ASP   2 -10.443  -2.566  -3.477
    8    HB2  ASP   2           HB3      ASP   2 -11.615  -4.999  -3.552
    9    HB3  ASP   2           HB2      ASP   2 -13.103  -4.107  -3.763
   10    HD2  ASP   2           HD2      ASP   2 -10.261  -4.287  -6.669
   11    H    THR   3           H        THR   3 -11.614  -0.809  -1.598
   12    HA   THR   3           HA       THR   3 -12.902   1.105  -3.454
   13    HB   THR   3           HB       THR   3 -14.883   0.061  -2.580
   14    HG1  THR   3           HG1      THR   3 -14.819   2.276  -2.984
   15   HG21  THR   3          HG21      THR   3 -14.076   0.930   0.264
   16   HG22  THR   3          HG22      THR   3 -14.148  -0.751  -0.328
   17   HG23  THR   3          HG23      THR   3 -15.634   0.227  -0.239
   18    H    ARG   4           H        ARG   4 -10.529   1.360  -3.081
   19    HA   ARG   4           HA       ARG   4  -8.735   2.638  -2.428
   20    HB2  ARG   4           HB2      ARG   4 -10.839   4.664  -1.364
   21    HB3  ARG   4           HB3      ARG   4  -9.172   5.014  -1.546
   22    HG2  ARG   4           HG3      ARG   4  -9.739   5.821  -3.720
   23    HG3  ARG   4           HG2      ARG   4  -9.582   4.170  -4.197
   24    HD2  ARG   4           HD3      ARG   4 -11.626   5.024  -5.112
   25    HD3  ARG   4           HD2      ARG   4 -12.050   3.794  -3.928
   26    HE   ARG   4           HE       ARG   4 -12.038   6.529  -2.804
   27   HH11  ARG   4          HH11      ARG   4 -15.583   5.047  -4.041
   28   HH12  ARG   4          HH12      ARG   4 -14.046   4.206  -4.585
   29   HH21  ARG   4          HH21      ARG   4 -13.897   7.436  -2.222
   30   HH22  ARG   4          HH22      ARG   4 -15.502   6.753  -2.792
   31    H    TYR   5           H        TYR   5  -9.472   0.645  -0.565
   32    HA   TYR   5           HA       TYR   5  -7.700   1.650   1.718
   33    HB2  TYR   5           HB3      TYR   5 -10.380   1.435   2.045
   34    HB3  TYR   5           HB2      TYR   5 -10.088  -0.266   2.075
   35    HD1  TYR   5           HD1      TYR   5  -8.999  -1.268   4.154
   36    HD2  TYR   5           HD2      TYR   5  -9.401   3.000   3.762
   37    HE1  TYR   5           HE1      TYR   5  -8.469  -0.994   6.532
   38    HE2  TYR   5           HE2      TYR   5  -8.863   3.260   6.144
   39    HH   TYR   5           HH       TYR   5  -8.180   0.433   8.209
   40    H    ASN   6           H        ASN   6  -6.667   0.461  -0.489
   41    HA   ASN   6           HA       ASN   6  -5.773  -2.287   0.567
   42    HB2  ASN   6           HB3      ASN   6  -6.767  -2.017  -1.803
   43    HB3  ASN   6           HB2      ASN   6  -5.345  -1.097  -2.240
   44   HD21  ASN   6          HD21      ASN   6  -5.059  -5.201  -1.871
   45   HD22  ASN   6          HD22      ASN   6  -6.522  -4.279  -1.259
   46    H    LYS   7           H        LYS   7  -4.823  -0.474   2.203
   47    HA   LYS   7           HA       LYS   7  -2.979   0.144   3.286
   48    HB2  LYS   7           HB3      LYS   7  -1.294  -1.265   1.191
   49    HB3  LYS   7           HB2      LYS   7  -0.668  -0.562   2.675
   50    HG2  LYS   7           HG2      LYS   7  -2.716  -2.853   2.495
   51    HG3  LYS   7           HG3      LYS   7  -1.011  -3.048   2.823
   52    HD2  LYS   7           HD3      LYS   7  -3.084  -1.670   4.633
   53    HD3  LYS   7           HD2      LYS   7  -2.432  -3.267   4.868
   54    HE2  LYS   7           HE2      LYS   7  -0.775  -0.652   5.053
   55    HE3  LYS   7           HE3      LYS   7  -1.469  -1.512   6.419
   56    HZ1  LYS   7           HZ1      LYS   7   0.815  -2.083   6.155
   57    HZ2  LYS   7           HZ2      LYS   7  -0.100  -3.416   5.914
   58    HZ3  LYS   7           HZ3      LYS   7   0.565  -2.630   4.597
   59    H    ASP   8           H        ASP   8  -3.672   2.067   3.096
   60    HA   ASP   8           HA       ASP   8  -4.048   4.328   2.285
   61    HB2  ASP   8           HB3      ASP   8  -2.299   4.327   3.827
   62    HB3  ASP   8           HB2      ASP   8  -1.151   3.716   2.652
   63    HD2  ASP   8           HD2      ASP   8   0.034   6.949   2.686
   64    H    PHE   9           H        PHE   9  -4.810   2.832   0.137
   65    HA   PHE   9           HA       PHE   9  -4.963   2.620  -2.160
   66    HB2  PHE   9           HB2      PHE   9  -5.672   4.954  -1.650
   67    HB3  PHE   9           HB3      PHE   9  -4.092   5.564  -2.098
   68    HD1  PHE   9           HD1      PHE   9  -7.076   3.677  -3.455
   69    HD2  PHE   9           HD2      PHE   9  -3.608   6.024  -4.445
   70    HE1  PHE   9           HE1      PHE   9  -7.829   3.822  -5.797
   71    HE2  PHE   9           HE2      PHE   9  -4.378   6.161  -6.777
   72    HZ   PHE   9           HZ       PHE   9  -6.485   5.063  -7.458
   73    H    ILE  10           H        ILE  10  -2.745   1.238  -1.325
   74    HA   ILE  10           HA       ILE  10  -0.714   0.478  -1.766
   75    HB   ILE  10           HB       ILE  10  -2.178   0.853  -4.222
   76   HG12  ILE  10          HG11      ILE  10  -0.361  -1.450  -3.376
   77   HG13  ILE  10          HG12      ILE  10  -1.996  -1.145  -2.766
   78   HG21  ILE  10          HG21      ILE  10   0.806   0.447  -4.841
   79   HG22  ILE  10          HG22      ILE  10  -0.111   1.939  -5.184
   80   HG23  ILE  10          HG23      ILE  10  -0.549   0.429  -5.993
   81   HD11  ILE  10          HD11      ILE  10  -2.955  -1.418  -5.084
   82   HD12  ILE  10          HD12      ILE  10  -1.324  -1.782  -5.713
   83   HD13  ILE  10          HD13      ILE  10  -2.085  -2.868  -4.532
   84    H    ASN  11           H        ASN  11  -0.756   3.257  -1.011
   85    HA   ASN  11           HA       ASN  11   1.959   4.160  -1.708
   86    HB2  ASN  11           HB3      ASN  11   0.034   5.768  -1.516
   87    HB3  ASN  11           HB2      ASN  11  -0.019   5.463   0.207
   88   HD21  ASN  11          HD21      ASN  11   3.034   7.851  -1.250
   89   HD22  ASN  11          HD22      ASN  11   2.200   6.639  -2.348
   90    H    ASN  12           H        ASN  12   0.435   3.289   1.459
   91    HA   ASN  12           HA       ASN  12   2.797   3.331   2.999
   92    HB2  ASN  12           HB3      ASN  12   0.489   3.022   3.937
   93    HB3  ASN  12           HB2      ASN  12   0.461   1.364   3.383
   94   HD21  ASN  12          HD21      ASN  12   2.493   2.312   6.850
   95   HD22  ASN  12          HD22      ASN  12   1.946   3.600   5.658
   96    H    LYS  13           H        LYS  13   1.783   0.344   1.306
   97    HA   LYS  13           HA       LYS  13   4.108  -1.189   2.036
   98    HB2  LYS  13           HB3      LYS  13   2.470  -1.527  -0.551
   99    HB3  LYS  13           HB2      LYS  13   3.636  -2.682   0.051
  100    HG2  LYS  13           HG2      LYS  13   0.976  -1.927   1.349
  101    HG3  LYS  13           HG3      LYS  13   1.358  -3.427   0.540
  102    HD2  LYS  13           HD3      LYS  13   2.545  -2.453   3.213
  103    HD3  LYS  13           HD2      LYS  13   1.267  -3.639   3.011
  104    HE2  LYS  13           HE2      LYS  13   2.877  -5.193   1.789
  105    HE3  LYS  13           HE3      LYS  13   4.178  -4.020   2.032
  106    HZ1  LYS  13           HZ1      LYS  13   3.898  -4.245   4.410
  107    HZ2  LYS  13           HZ2      LYS  13   4.221  -5.693   3.721
  108    HZ3  LYS  13           HZ3      LYS  13   2.656  -5.342   4.191
  109    H    LEU  14           H        LEU  14   3.652   0.935  -0.739
  110    HA   LEU  14           HA       LEU  14   6.291   0.399  -1.972
  111    HB2  LEU  14           HB3      LEU  14   4.248   1.304  -3.214
  112    HB3  LEU  14           HB2      LEU  14   4.423   2.821  -2.350
  113    HG   LEU  14           HG       LEU  14   6.679   3.173  -3.461
  114   HD11  LEU  14          HD11      LEU  14   5.982   0.640  -5.102
  115   HD12  LEU  14          HD12      LEU  14   7.353   0.821  -3.980
  116   HD13  LEU  14          HD13      LEU  14   7.303   1.779  -5.467
  117   HD21  LEU  14          HD21      LEU  14   5.748   3.771  -5.694
  118   HD22  LEU  14          HD22      LEU  14   4.605   4.193  -4.405
  119   HD23  LEU  14          HD23      LEU  14   4.319   2.746  -5.405
  120    H    LEU  15           H        LEU  15   5.331   2.747   0.547
  121    HA   LEU  15           HA       LEU  15   7.941   4.080   0.452
  122    HB2  LEU  15           HB3      LEU  15   5.628   4.317   2.428
  123    HB3  LEU  15           HB2      LEU  15   7.078   5.278   2.551
  124    HG   LEU  15           HG       LEU  15   5.190   5.423   0.084
  125   HD11  LEU  15          HD11      LEU  15   5.552   7.304   2.484
  126   HD12  LEU  15          HD12      LEU  15   4.144   6.251   2.162
  127   HD13  LEU  15          HD13      LEU  15   4.524   7.588   1.047
  128   HD21  LEU  15          HD21      LEU  15   7.494   6.001  -0.591
  129   HD22  LEU  15          HD22      LEU  15   7.667   7.109   0.797
  130   HD23  LEU  15          HD23      LEU  15   6.495   7.459  -0.506
  131    H    ASN  16           H        ASN  16   7.847   1.203   1.096
  132    HA   ASN  16           HA       ASN  16   9.938   1.219   3.236
  133    HB2  ASN  16           HB2      ASN  16   7.509   0.371   3.878
  134    HB3  ASN  16           HB3      ASN  16   7.819  -0.990   2.844
  135   HD21  ASN  16          HD21      ASN  16   9.703  -0.847   6.524
  136   HD22  ASN  16          HD22      ASN  16   8.933   0.648   5.789
  137    H    GLU  17           H        GLU  17  11.347   1.441   1.254
  138    HA   GLU  17           HA       GLU  17  12.141   0.841  -0.951
  139    HB2  GLU  17           HB2      GLU  17  13.007  -1.000   1.215
  140    HB3  GLU  17           HB3      GLU  17  13.864  -0.911  -0.335
  141    HG2  GLU  17           HG2      GLU  17  14.020   1.701   0.228
  142    HG3  GLU  17           HG3      GLU  17  13.569   1.251   1.855
  143    HE2  GLU  17           HE2      GLU  17  14.809  -0.113   2.970
  144    H    HIS  18           H        HIS  18   9.817   0.295  -1.661
  145    HA   HIS  18           HA       HIS  18   8.270  -1.002  -2.758
  146    HB2  HIS  18           HB2      HIS  18  10.365  -0.903  -4.232
  147    HB3  HIS  18           HB3      HIS  18  10.640  -2.597  -3.845
  148    HD2  HIS  18           HD2      HIS  18  10.322  -2.403  -6.654
  149    HE1  HIS  18           HE2      HIS  18   6.168  -2.703  -6.529
  150    HE2  HIS  18           HE3      HIS  18   8.157  -2.898  -8.153
  151    H    ALA  19           H        ALA  19   8.437  -1.750  -0.064
  152    HA   ALA  19           HA       ALA  19   7.367  -3.252   1.325
  153    HB1  ALA  19           HB1      ALA  19   6.014  -5.159   0.599
  154    HB2  ALA  19           HB2      ALA  19   6.644  -5.047  -1.059
  155    HB3  ALA  19           HB3      ALA  19   5.652  -3.730  -0.391
  156    H    HIS  20           H        HIS  20   9.316  -3.579   2.361
  157    HA   HIS  20           HA       HIS  20  11.204  -5.662   1.597
  158    HB2  HIS  20           HB3      HIS  20  11.732  -3.474   2.839
  159    HB3  HIS  20           HB2      HIS  20  11.095  -4.215   4.295
  160    HD2  HIS  20           HD2      HIS  20  13.768  -3.496   4.837
  161    HE1  HIS  20           HE2      HIS  20  15.386  -7.005   3.282
  162    HE2  HIS  20           HE3      HIS  20  15.977  -5.006   4.792
  163    HXT  HIS  20           HXT      HIS  20   9.846  -8.492   3.330