*HEADER    CELL INVASION                           03-MAR-17   5V2B              
*TITLE     PEPTIDE 38148 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;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 41-60;                                        
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
*SOURCE   4 ORGANISM_TAXID: 36329                                                
*KEYWDS    MODIFIED PEPTIDE, CHEMICALLY SYNTHESIZED, PF-TRSP PROTEIN, ALPHA-     
*KEYWDS   2 HELIX RESIDUES 8-18, CELL INVASION                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    9                                                                     
*AUTHOR    A.BERMUDEZ,M.E.PATARROYO                                              
*REVDAT   1   08-AUG-18 5V2B    0                                                
# Restraints file 1: pep38147.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:SER_8:CA         S
1:PHE_9:CA         S
1:ILE_10:CA        S
1:ILE_10:CB        S
1:ASN_11:CA        S
1:ASN_12:CA        S
1:LYS_13:CA        S
1:HIS_14:CA        S
1:LEU_15:CA        S
1:ASN_16:CA        S
1:GLU_17:CA        S
1:HIS_18:CA        S
1:ALA_19:CA        S
1:HIS_20:CA        S
!
#distance
1:SER_8:O          1:ASN_12:HN         1.800  2.500 30.00 30.00 1000.000
1:ASN_11:O         1:LEU_15:HN         1.800  2.500 30.00 30.00 1000.000
1:LYS_13:O         1:GLU_17:HN         1.800  2.500 30.00 30.00 1000.000
!
#NOE_distance
1:SER_1:HN         1:SER_1:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:
1:ASP_2:HN         1:ASP_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:THR_3:HN         1:THR_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ARG_4:HN         1:ARG_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:   
1:TYR_5:HN         1:TYR_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_6:HN         1:ASN_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_7:HN         1:LYS_7:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_8:HN         1:SER_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:HIS_14:HN        1:HIS_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_15:HN        1:LEU_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_16:HN        1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_17:HN        1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:HIS_18:HN        1:HIS_18:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:ALA_19:HN        1:ALA_19:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_20:HN        1:HIS_20:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:SER_1:HBS        1:SER_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_1:HBR        1:SER_1:HA          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         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASP_2:HN         1:ASP_2:HBR         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:   
1:ASP_2:HN         1:ASP_2:HBS         2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:ASP_2:HBR        1:ASP_2:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium: 
1:ASP_2:HBS        1:ASP_2:HA          2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:  
1:THR_3:HN         1:THR_3:HB          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:THR_3:HN         1:THR_3:HG2*        2.800  3.500  2.800 30.00 30.00 1000.000  0.00 !medium:  
1:THR_3:HB         1:THR_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:THR_3:HG2*       1:THR_3:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ARG_4:HN         1:ARG_4:HB*         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:ARG_4:HG*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_4:HN         1:ARG_4:HD*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_4:HD*        1:ARG_4:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HB*        1:ARG_4:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HG*        1:ARG_4:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HD*        1:ARG_4:HB*         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HD*        1:ARG_4:HG*         1.800  6.200  2.800 30.00 30.00 1000.000  0.00 !strong
1:ARG_4:HB*        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: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:HD22       1:ASN_6:HA          1.800  2.800  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:HA         1:ASN_6:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_6:HA         1:ASN_6:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_7:HN         1:LYS_7:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:LYS_7:HN         1:LYS_7:HG*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LYS_7:HN         1:LYS_7:HD*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LYS_7:HB*        1:LYS_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_7:HG*        1:LYS_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_7:HD*        1:LYS_7:HA          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:SER_8:HBS        1:SER_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_8:HBR        1:SER_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_8:HBS        1:SER_8:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_8:HN         1:SER_8:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:SER_8:HN         1:SER_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          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HD*        1:PHE_9:HBS         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HD*        1:PHE_9:HBR         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:PHE_9:HD*        1:PHE_9:HA          2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:PHE_9:HD*        1:PHE_9:HE*         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_10:HN        1:ILE_10:HB         2.800  7.500  3.500 30.00 30.00 1000.000  0.00 !mediu 
1:ILE_10:HN        1:ILE_10:HG1R       2.800  7.500  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  7.500  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  7.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_10:HB        1:ILE_10:HG1R       2.800  7.500  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         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HD22      1:ASN_11:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HD22      1:ASN_11:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_11:HD22      1:ASN_11:HBR        2.800  7.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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:HN        1:ASN_12:HBR        2.800  7.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_12:HBS       1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HBR       1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HD22      1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HD22      1:ASN_12:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_12:HD22      1:ASN_12:HBR        2.800  7.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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*        2.800  7.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_13:HB*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HG*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HD*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_13:HE*       1:LYS_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_14:HN        1:HIS_14:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_14:HN        1:HIS_14:HBR        2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:HIS_14:HBS       1:HIS_14:HD2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:HIS_14:HBR       1:HIS_14:HD2        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         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
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         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HDR*      1:LEU_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HDS*      1:LEU_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HB*       1:LEU_15:HG         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_15:HB*       1:LEU_15:HDR*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HB*       1:LEU_15:HDS*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HG        1:LEU_15:HDR*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_15:HG        1:LEU_15:HDS*       1.800  3.800  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        2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_16:HBS       1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HBR       1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HD22      1:ASN_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HD22      1:ASN_16:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_16:HD22      1:ASN_16:HBR        2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:GLU_17:HN        1:GLU_17:HBR        2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
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        2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:   
1:LYS_7:HN         1:SER_8:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_8:HN         1:PHE_9:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
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:HIS_14:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_14:HN        1:LEU_15:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:LEU_15:HN        1:ASN_16:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:ASN_16:HN        1:GLU_17:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_17:HN        1:HIS_18:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:HIS_18:HN        1:ALA_19:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_19:HN        1:HIS_20:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_2:HN         1:SER_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:         
1:THR_3:HN         1:ASP_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ARG_4:HN         1:THR_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:TYR_5:HN         1:ARG_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:      
1:SER_8:HN         1:LYS_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:      
1:PHE_9:HN         1:SER_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         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:              
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:HIS_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:HIS_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         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_17:HN        1:ASN_16:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:HIS_18:HN        1:GLU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_19:HN        1:HIS_18:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_20:HN        1:ALA_19:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:TYR_5:HN         1:THR_3:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
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          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:PHE_9:HN         1:LYS_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_10:HN        1:SER_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:ILE_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_13:HN        1:ASN_11:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:HIS_14:HN        1:ASN_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_10:HN        1:LYS_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_13:HN        1:ILE_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HN        1:LYS_13:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:GLU_17:HN        1:HIS_14:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_18:HN        1:LEU_15:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HN        1:ASN_12:HA         3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HN         1:THR_3:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_8:HN         1:ARG_4:HA          3.500  5.000  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_11:HN        1:LYS_7:HA          3.500  5.000  3.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_14:HN        1:ILE_10:HA         3.500  5.000  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:SER_8:HA          3.500  5.000  3.500 30.00 30.00 1000.000  0.00 !weak:
1:LYS_13:HN        1:PHE_9:HA          3.500  5.000  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_16:HN        1:ASN_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_19:HN        1:LEU_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_15:HN        1:ASN_11:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HB*        1:ILE_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:HIS_14:HB*       1:GLU_17:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:PHE_9:HA         1:ASN_6:HB*         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:HIS_18:HA        1:LEU_15:HB*        2.800  5.000  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_6:HA         1:THR_3:HG2*        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
!
#mixing_times
3.000000E+02 
!
#NMR_dihedral
1:SER_1:CA         1:SER_1:C          1:ASP_2:N          1:ASP_2:CA         178.000 180.000 500.00 500.00 1000.000
1:ASP_2:CA         1:ASP_2:C          1:THR_3:N          1:THR_3:CA         178.000 180.000 500.00 500.00 1000.000
1:THR_3:CA         1:THR_3:C          1:ARG_4:N          1:ARG_4:CA         178.000 180.000 500.00 500.00 1000.000
1:ARG_4:CA         1:ARG_4:C          1:TYR_5:N          1:TYR_5:CA         178.000 180.000 500.00 500.00 1000.000
1:TYR_5:CA         1:TYR_5:C          1:ASN_6:N          1:ASN_6:CA         178.000 180.000 500.00 500.00 1000.000
1:ASN_6:CA         1:ASN_6:C          1:LYS_7:N          1:LYS_7:CA         178.000 180.000 500.00 500.00 1000.000
1:LYS_7:CA         1:LYS_7:C          1:SER_8:N          1:SER_8:CA         178.000 180.000 500.00 500.00 1000.000
1:SER_8:CA         1:SER_8:C          1:PHE_9:N          1:PHE_9:CA         178.000 180.000 500.00 500.00 1000.000
1:PHE_9:CA         1:PHE_9:C          1:ILE_10:N         1:ILE_10:CA        178.000 180.000 500.00 500.00 1000.000
1:ILE_10:CA        1:ILE_10:C         1:ASN_11:N         1:ASN_11:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_11:CA        1:ASN_11:C         1:ASN_12:N         1:ASN_12:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_12:CA        1:ASN_12:C         1:LYS_13:N         1:LYS_13:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_13:CA        1:LYS_13:C         1:HIS_14:N         1:HIS_14:CA        178.000 180.000 500.00 500.00 1000.000
1:HIS_14:CA        1:HIS_14:C         1:LEU_15:N         1:LEU_15:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_15:CA        1:LEU_15:C         1:ASN_16:N         1:ASN_16:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_16:CA        1:ASN_16:C         1:GLU_17:N         1:GLU_17:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_17:CA        1:GLU_17:C         1:HIS_18:N         1:HIS_18:CA        178.000 180.000 500.00 500.00 1000.000
1:HIS_18:CA        1:HIS_18:C         1:ALA_19:N         1:ALA_19:CA        178.000 180.000 500.00 500.00 1000.000
1:ALA_19:CA        1:ALA_19:C         1:HIS_20:N         1:HIS_20:CA        178.000 180.000 500.00 500.00 1000.000
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H        SER   1 -11.226  -5.213   1.822
    2    HA   SER   1           HA       SER   1  -9.576  -4.666  -0.700
    3    HB2  SER   1           HB2      SER   1 -10.295  -7.102  -0.137
    4    HB3  SER   1           HB3      SER   1 -11.968  -6.598  -0.437
    5    HG   SER   1           HG       SER   1 -11.278  -5.901  -2.513
    6    H    ASP   2           H        ASP   2 -10.962  -2.594   0.653
    7    HA   ASP   2           HA       ASP   2 -12.355  -1.383  -1.552
    8    HB2  ASP   2           HB2      ASP   2 -14.290  -2.933  -0.445
    9    HB3  ASP   2           HB3      ASP   2 -14.281  -1.776   0.852
   10    HD2  ASP   2           HD2      ASP   2 -15.051  -2.446  -2.292
   11    H    THR   3           H        THR   3 -10.343  -0.239  -0.877
   12    HA   THR   3           HA       THR   3 -10.968   2.058   0.873
   13    HB   THR   3           HB       THR   3  -9.500   0.067   1.898
   14    HG1  THR   3           HG1      THR   3 -10.128   2.012   2.824
   15   HG21  THR   3          HG21      THR   3  -7.072   0.603   1.874
   16   HG22  THR   3          HG22      THR   3  -7.651   0.047   0.262
   17   HG23  THR   3          HG23      THR   3  -7.302   1.743   0.554
   18    H    ARG   4           H        ARG   4 -11.681   2.468  -1.232
   19    HA   ARG   4           HA       ARG   4  -9.907   3.266  -3.327
   20    HB2  ARG   4           HB2      ARG   4 -12.728   4.454  -2.710
   21    HB3  ARG   4           HB3      ARG   4 -11.807   4.874  -4.127
   22    HG2  ARG   4           HG3      ARG   4 -13.266   3.285  -4.951
   23    HG3  ARG   4           HG2      ARG   4 -11.756   2.399  -4.817
   24    HD2  ARG   4           HD3      ARG   4 -12.633   1.339  -2.623
   25    HD3  ARG   4           HD2      ARG   4 -14.108   2.268  -2.804
   26   HH11  ARG   4          HH11      ARG   4 -14.917  -0.985  -5.614
   27   HH12  ARG   4          HH12      ARG   4 -13.473  -2.117  -5.632
   28   HH21  ARG   4          HH21      ARG   4 -11.533  -0.056  -3.681
   29   HH22  ARG   4          HH22      ARG   4 -11.686  -1.629  -4.612
   30    H    TYR   5           H        TYR   5 -11.058   5.244  -0.654
   31    HA   TYR   5           HA       TYR   5  -9.342   7.523  -1.562
   32    HB2  TYR   5           HB2      TYR   5 -11.748   7.896  -0.709
   33    HB3  TYR   5           HB3      TYR   5 -11.196   7.451   0.888
   34    HD1  TYR   5           HD1      TYR   5 -10.380   9.238   2.316
   35    HD2  TYR   5           HD2      TYR   5 -10.513   9.901  -1.935
   36    HE1  TYR   5           HE1      TYR   5  -9.814  11.602   2.659
   37    HE2  TYR   5           HE2      TYR   5  -9.945  12.265  -1.576
   38    HH   TYR   5           HH       TYR   5  -9.481  13.848  -0.090
   39    H    ASN   6           H        ASN   6  -8.356   4.966  -0.535
   40    HA   ASN   6           HA       ASN   6  -6.095   5.937   1.123
   41    HB2  ASN   6           HB2      ASN   6  -7.881   4.889   2.440
   42    HB3  ASN   6           HB3      ASN   6  -7.582   3.450   1.576
   43   HD21  ASN   6          HD21      ASN   6  -4.645   4.490   4.319
   44   HD22  ASN   6          HD22      ASN   6  -5.527   5.792   3.373
   45    H    LYS   7           H        LYS   7  -7.080   3.449  -1.226
   46    HA   LYS   7           HA       LYS   7  -5.918   2.517  -3.030
   47    HB2  LYS   7           HB3      LYS   7  -3.672   4.461  -2.504
   48    HB3  LYS   7           HB2      LYS   7  -3.846   3.407  -3.896
   49    HG2  LYS   7           HG2      LYS   7  -5.782   5.666  -3.095
   50    HG3  LYS   7           HG3      LYS   7  -4.544   5.794  -4.322
   51    HD2  LYS   7           HD2      LYS   7  -7.002   3.929  -4.453
   52    HD3  LYS   7           HD3      LYS   7  -6.872   5.505  -5.211
   53    HE2  LYS   7           HE3      LYS   7  -4.939   4.677  -6.651
   54    HE3  LYS   7           HE2      LYS   7  -5.089   3.073  -5.918
   55    HZ2  LYS   7           HZ2      LYS   7  -6.267   3.175  -7.980
   56    HZ3  LYS   7           HZ3      LYS   7  -7.335   2.928  -6.767
   57    H    SER   8           H        SER   8  -6.079   0.690  -1.257
   58    HA   SER   8           HA       SER   8  -5.190  -0.861   0.302
   59    HB2  SER   8           HB3      SER   8  -5.055  -1.858  -1.738
   60    HB3  SER   8           HB2      SER   8  -3.698  -0.859  -2.237
   61    HG   SER   8           HG       SER   8  -3.113  -3.002  -1.678
   62    H    PHE   9           H        PHE   9  -4.567   1.376   1.704
   63    HA   PHE   9           HA       PHE   9  -3.162   2.402   3.154
   64    HB2  PHE   9           HB2      PHE   9  -3.392   0.059   3.967
   65    HB3  PHE   9           HB3      PHE   9  -1.795  -0.234   3.317
   66    HD1  PHE   9           HD1      PHE   9  -0.327  -0.515   5.167
   67    HD2  PHE   9           HD2      PHE   9  -3.281   2.612   5.421
   68    HE1  PHE   9           HE1      PHE   9   0.518   0.124   7.382
   69    HE2  PHE   9           HE2      PHE   9  -2.400   3.248   7.621
   70    HZ   PHE   9           HZ       PHE   9  -0.505   2.008   8.610
   71    H    ILE  10           H        ILE  10  -2.542   3.250   0.640
   72    HA   ILE  10           HA       ILE  10  -0.960   4.548  -0.478
   73    HB   ILE  10           HB       ILE  10   0.750   4.402   1.932
   74   HG12  ILE  10          HG12      ILE  10  -1.049   6.745   1.034
   75   HG13  ILE  10          HG13      ILE  10  -1.644   5.489   2.111
   76   HG21  ILE  10          HG21      ILE  10   1.887   6.473   1.005
   77   HG22  ILE  10          HG22      ILE  10   0.934   6.317  -0.489
   78   HG23  ILE  10          HG23      ILE  10   2.139   5.090  -0.051
   79   HD11  ILE  10          HD11      ILE  10   0.708   7.369   2.775
   80   HD12  ILE  10          HD12      ILE  10   0.131   6.043   3.819
   81   HD13  ILE  10          HD13      ILE  10  -0.935   7.417   3.449
   82    H    ASN  11           H        ASN  11  -1.017   2.348  -1.919
   83    HA   ASN  11           HA       ASN  11  -0.113   0.330  -2.742
   84    HB2  ASN  11           HB2      ASN  11   0.472   2.149  -4.059
   85    HB3  ASN  11           HB3      ASN  11   1.744   2.609  -2.983
   86   HD21  ASN  11          HD21      ASN  11   2.468  -0.474  -5.682
   87   HD22  ASN  11          HD22      ASN  11   0.784  -0.204  -5.004
   88    H    ASN  12           H        ASN  12  -0.203  -0.408  -0.147
   89    HA   ASN  12           HA       ASN  12   0.759  -1.645   1.553
   90    HB2  ASN  12           HB2      ASN  12   0.835  -3.094  -0.458
   91    HB3  ASN  12           HB3      ASN  12   2.536  -2.695  -0.593
   92   HD21  ASN  12          HD21      ASN  12   1.374  -5.377   2.324
   93   HD22  ASN  12          HD22      ASN  12   0.153  -4.311   1.464
   94    H    LYS  13           H        LYS  13   1.549   0.953   1.894
   95    HA   LYS  13           HA       LYS  13   3.161   2.325   2.901
   96    HB2  LYS  13           HB3      LYS  13   4.244  -0.328   3.944
   97    HB3  LYS  13           HB2      LYS  13   4.930   1.208   4.409
   98    HG2  LYS  13           HG3      LYS  13   1.933   0.696   4.835
   99    HG3  LYS  13           HG2      LYS  13   3.127   0.021   5.913
  100    HD2  LYS  13           HD3      LYS  13   2.384   2.011   6.966
  101    HD3  LYS  13           HD2      LYS  13   4.035   2.275   6.463
  102    HE2  LYS  13           HE3      LYS  13   2.740   4.313   6.139
  103    HE3  LYS  13           HE2      LYS  13   3.268   3.741   4.568
  104    HZ2  LYS  13           HZ2      LYS  13   1.034   2.775   4.268
  105    HZ3  LYS  13           HZ3      LYS  13   0.565   3.318   5.736
  106    H    HIS  14           H        HIS  14   3.472   2.174   0.207
  107    HA   HIS  14           HA       HIS  14   4.916   2.222  -1.630
  108    HB2  HIS  14           HB2      HIS  14   5.537   4.178  -0.116
  109    HB3  HIS  14           HB3      HIS  14   6.980   3.286   0.352
  110    HD2  HIS  14           HD2      HIS  14   7.834   5.722  -0.812
  111    HE1  HIS  14           HE2      HIS  14   7.838   4.214  -4.697
  112    HE2  HIS  14           HE3      HIS  14   8.751   6.169  -3.291
  113    H    LEU  15           H        LEU  15   4.556  -0.405  -0.847
  114    HA   LEU  15           HA       LEU  15   5.482  -2.525  -0.938
  115    HB2  LEU  15           HB3      LEU  15   7.523  -1.149  -2.735
  116    HB3  LEU  15           HB2      LEU  15   7.701  -2.825  -2.312
  117    HG   LEU  15           HG       LEU  15   6.740  -2.588  -4.490
  118   HD11  LEU  15          HD21      LEU  15   6.017  -4.643  -3.006
  119   HD12  LEU  15          HD22      LEU  15   4.554  -3.768  -2.545
  120   HD13  LEU  15          HD23      LEU  15   4.789  -4.241  -4.226
  121   HD21  LEU  15          HD11      LEU  15   5.482  -0.457  -4.206
  122   HD22  LEU  15          HD12      LEU  15   4.233  -1.299  -3.254
  123   HD23  LEU  15          HD13      LEU  15   4.485  -1.725  -4.962
  124    H    ASN  16           H        ASN  16   5.764  -1.259   1.512
  125    HA   ASN  16           HA       ASN  16   6.953  -1.196   3.487
  126    HB2  ASN  16           HB3      ASN  16   6.559  -3.603   3.055
  127    HB3  ASN  16           HB2      ASN  16   8.219  -3.718   2.497
  128   HD21  ASN  16          HD21      ASN  16   7.527  -3.477   6.559
  129   HD22  ASN  16          HD22      ASN  16   6.207  -3.118   5.335
  130    H    GLU  17           H        GLU  17   7.880   0.645   1.650
  131    HA   GLU  17           HA       GLU  17   9.611   2.076   1.167
  132    HB2  GLU  17           HB3      GLU  17  11.013   0.896   3.526
  133    HB3  GLU  17           HB2      GLU  17  11.556   2.332   2.681
  134    HG2  GLU  17           HG2      GLU  17   9.462   3.557   3.244
  135    HG3  GLU  17           HG3      GLU  17   8.757   2.115   3.961
  136    HE2  GLU  17           HE2      GLU  17  11.490   4.360   5.936
  137    H    HIS  18           H        HIS  18   9.398   0.005  -0.591
  138    HA   HIS  18           HA       HIS  18  10.416  -1.174  -2.242
  139    HB2  HIS  18           HB2      HIS  18  11.220   1.175  -2.564
  140    HB3  HIS  18           HB3      HIS  18  12.793   0.720  -1.917
  141    HD2  HIS  18           HD2      HIS  18  13.211   1.691  -4.544
  142    HE1  HIS  18           HE2      HIS  18  12.577  -2.014  -6.343
  143    HE2  HIS  18           HE3      HIS  18  13.590   0.308  -6.808
  144    H    ALA  19           H        ALA  19  10.445  -3.129  -1.198
  145    HA   ALA  19           HA       ALA  19  13.029  -4.406  -0.859
  146    HB1  ALA  19           HB1      ALA  19  11.385  -4.140   1.758
  147    HB2  ALA  19           HB2      ALA  19  12.805  -5.192   1.534
  148    HB3  ALA  19           HB3      ALA  19  12.987  -3.430   1.445
  149    H    HIS  20           H        HIS  20  12.344  -5.870  -2.312
  150    HA   HIS  20           HA       HIS  20   9.769  -7.195  -2.277
  151    HB2  HIS  20           HB3      HIS  20  11.204  -6.718  -4.326
  152    HB3  HIS  20           HB2      HIS  20  12.230  -8.064  -3.878
  153    HD2  HIS  20           HD2      HIS  20  11.257  -8.595  -6.472
  154    HE1  HIS  20           HE2      HIS  20   7.718 -10.351  -5.153
  155    HE2  HIS  20           HE3      HIS  20   9.216 -10.148  -7.237
  156    HC   HIS  20           HC       HIS  20  12.000  -9.211  -1.329
  Start of MODEL    2
    1    H1   SER   1           H        SER   1 -14.556  -2.440   1.456
    2    HA   SER   1           HA       SER   1 -11.737  -3.556   1.839
    3    HB2  SER   1           HB3      SER   1 -13.770  -4.830   2.777
    4    HB3  SER   1           HB2      SER   1 -14.290  -5.107   1.103
    5    HG   SER   1           HG       SER   1 -13.009  -6.776   1.944
    6    H    ASP   2           H        ASP   2 -12.319  -1.587  -0.142
    7    HA   ASP   2           HA       ASP   2 -10.957  -2.791  -2.408
    8    HB2  ASP   2           HB3      ASP   2 -13.548  -3.410  -2.878
    9    HB3  ASP   2           HB2      ASP   2 -13.783  -1.705  -3.137
   10    HD2  ASP   2           HD2      ASP   2 -12.090  -4.475  -4.103
   11    H    THR   3           H        THR   3  -9.728  -1.073  -1.159
   12    HA   THR   3           HA       THR   3  -9.709   1.453  -2.685
   13    HB   THR   3           HB       THR   3 -11.085   1.521  -0.493
   14    HG1  THR   3           HG1      THR   3  -8.992   3.357  -1.026
   15   HG21  THR   3          HG21      THR   3  -9.953   2.178   1.554
   16   HG22  THR   3          HG22      THR   3  -9.351   0.555   1.088
   17   HG23  THR   3          HG23      THR   3  -8.369   2.001   0.823
   18    H    ARG   4           H        ARG   4  -8.185  -0.306  -3.593
   19    HA   ARG   4           HA       ARG   4  -5.623  -0.679  -2.395
   20    HB2  ARG   4           HB3      ARG   4  -5.981  -0.165  -5.452
   21    HB3  ARG   4           HB2      ARG   4  -4.640  -1.014  -4.732
   22    HG2  ARG   4           HG3      ARG   4  -7.551  -1.990  -4.890
   23    HG3  ARG   4           HG2      ARG   4  -6.198  -2.538  -5.863
   24    HD2  ARG   4           HD2      ARG   4  -5.090  -3.544  -3.829
   25    HD3  ARG   4           HD3      ARG   4  -6.420  -2.953  -2.808
   26   HH11  ARG   4          HH11      ARG   4  -8.214  -6.529  -4.655
   27   HH12  ARG   4          HH12      ARG   4  -7.836  -7.418  -3.095
   28   HH21  ARG   4          HH21      ARG   4  -6.616  -6.544  -1.603
   29   HH22  ARG   4          HH22      ARG   4  -5.904  -4.868  -1.834
   30    H    TYR   5           H        TYR   5  -6.663   2.252  -3.747
   31    HA   TYR   5           HA       TYR   5  -3.946   3.435  -3.383
   32    HB2  TYR   5           HB3      TYR   5  -5.508   3.919  -5.470
   33    HB3  TYR   5           HB2      TYR   5  -6.421   4.950  -4.406
   34    HD1  TYR   5           HD1      TYR   5  -5.590   7.245  -4.000
   35    HD2  TYR   5           HD2      TYR   5  -3.022   4.381  -5.931
   36    HE1  TYR   5           HE1      TYR   5  -4.005   9.034  -4.562
   37    HE2  TYR   5           HE2      TYR   5  -1.447   6.181  -6.489
   38    HH   TYR   5           HH       TYR   5  -0.992   8.349  -6.343
   39    H    ASN   6           H        ASN   6  -5.965   2.701  -1.256
   40    HA   ASN   6           HA       ASN   6  -4.950   4.515   0.827
   41    HB2  ASN   6           HB2      ASN   6  -7.072   5.380  -0.333
   42    HB3  ASN   6           HB3      ASN   6  -7.851   4.070   0.475
   43   HD21  ASN   6          HD21      ASN   6  -6.749   7.401   2.690
   44   HD22  ASN   6          HD22      ASN   6  -5.988   7.040   1.059
   45    H    LYS   7           H        LYS   7  -5.851   1.199   0.170
   46    HA   LYS   7           HA       LYS   7  -6.834   0.078   2.339
   47    HB2  LYS   7           HB2      LYS   7  -4.396  -0.741   0.651
   48    HB3  LYS   7           HB3      LYS   7  -4.874  -1.797   1.941
   49    HG2  LYS   7           HG3      LYS   7  -6.479  -1.073  -0.523
   50    HG3  LYS   7           HG2      LYS   7  -5.769  -2.616  -0.161
   51    HD2  LYS   7           HD2      LYS   7  -8.135  -1.321   1.333
   52    HD3  LYS   7           HD3      LYS   7  -8.269  -2.457   0.010
   53    HE2  LYS   7           HE3      LYS   7  -7.063  -4.236   1.398
   54    HE3  LYS   7           HE2      LYS   7  -6.956  -3.094   2.747
   55    HZ2  LYS   7           HZ2      LYS   7  -9.387  -2.977   2.750
   56    HZ3  LYS   7           HZ3      LYS   7  -9.485  -4.031   1.505
   57    H    SER   8           H        SER   8  -3.558   0.396   2.188
   58    HA   SER   8           HA       SER   8  -3.198   1.145   5.127
   59    HB2  SER   8           HB3      SER   8  -2.642  -1.239   4.514
   60    HB3  SER   8           HB2      SER   8  -1.317  -0.589   3.561
   61    HG   SER   8           HG       SER   8  -1.719  -0.134   6.326
   62    H    PHE   9           H        PHE   9  -3.540   3.426   3.717
   63    HA   PHE   9           HA       PHE   9  -2.832   5.136   2.388
   64    HB2  PHE   9           HB3      PHE   9  -1.683   5.395   4.546
   65    HB3  PHE   9           HB2      PHE   9  -0.289   4.592   3.859
   66    HD1  PHE   9           HD1      PHE   9  -2.155   7.198   1.825
   67    HD2  PHE   9           HD2      PHE   9   1.147   6.453   4.496
   68    HE1  PHE   9           HE1      PHE   9  -1.220   9.401   1.305
   69    HE2  PHE   9           HE2      PHE   9   2.052   8.672   3.968
   70    HZ   PHE   9           HZ       PHE   9   0.879  10.149   2.373
   71    H    ILE  10           H        ILE  10  -3.142   3.169   0.634
   72    HA   ILE  10           HA       ILE  10  -2.691   2.632  -1.494
   73    HB   ILE  10           HB       ILE  10  -0.107   4.111  -1.496
   74   HG12  ILE  10          HG12      ILE  10  -2.664   5.164  -2.775
   75   HG13  ILE  10          HG13      ILE  10  -2.402   5.427  -1.060
   76   HG21  ILE  10          HG21      ILE  10  -0.186   2.486  -3.386
   77   HG22  ILE  10          HG22      ILE  10  -0.342   4.128  -4.016
   78   HG23  ILE  10          HG23      ILE  10  -1.780   3.090  -3.879
   79   HD11  ILE  10          HD11      ILE  10  -0.258   6.674  -1.556
   80   HD12  ILE  10          HD12      ILE  10  -0.508   6.413  -3.304
   81   HD13  ILE  10          HD13      ILE  10  -1.658   7.402  -2.376
   82    H    ASN  11           H        ASN  11  -2.569   0.283  -0.364
   83    HA   ASN  11           HA       ASN  11  -1.419  -1.609   0.457
   84    HB2  ASN  11           HB2      ASN  11  -1.971  -1.833  -1.771
   85    HB3  ASN  11           HB3      ASN  11  -0.611  -0.893  -2.278
   86   HD21  ASN  11          HD21      ASN  11   0.080  -4.865  -1.216
   87   HD22  ASN  11          HD22      ASN  11  -1.149  -3.860  -0.295
   88    H    ASN  12           H        ASN  12  -0.348   0.111   2.177
   89    HA   ASN  12           HA       ASN  12   1.418   0.638   3.506
   90    HB2  ASN  12           HB3      ASN  12   1.330  -1.831   3.563
   91    HB3  ASN  12           HB2      ASN  12   2.698  -1.838   2.464
   92   HD21  ASN  12          HD21      ASN  12   3.363  -0.926   6.435
   93   HD22  ASN  12          HD22      ASN  12   1.671  -0.951   5.726
   94    H    LYS  13           H        LYS  13   1.387   2.402   1.401
   95    HA   LYS  13           HA       LYS  13   2.755   3.893   0.177
   96    HB2  LYS  13           HB3      LYS  13   4.721   3.098   2.363
   97    HB3  LYS  13           HB2      LYS  13   5.233   4.155   1.082
   98    HG2  LYS  13           HG3      LYS  13   2.654   4.886   2.573
   99    HG3  LYS  13           HG2      LYS  13   4.197   5.085   3.369
  100    HD2  LYS  13           HD2      LYS  13   3.604   7.201   2.369
  101    HD3  LYS  13           HD3      LYS  13   5.055   6.574   1.622
  102    HE2  LYS  13           HE2      LYS  13   3.716   7.627  -0.093
  103    HE3  LYS  13           HE3      LYS  13   3.753   5.902  -0.433
  104    HZ2  LYS  13           HZ2      LYS  13   1.556   6.784  -0.693
  105    HZ3  LYS  13           HZ3      LYS  13   1.545   5.716   0.544
  106    H    HIS  14           H        HIS  14   2.229   1.602  -1.186
  107    HA   HIS  14           HA       HIS  14   2.906   0.061  -2.795
  108    HB2  HIS  14           HB2      HIS  14   3.358   2.376  -3.746
  109    HB3  HIS  14           HB3      HIS  14   5.075   2.097  -3.475
  110    HD2  HIS  14           HD2      HIS  14   4.720   2.548  -6.249
  111    HE1  HIS  14           HE2      HIS  14   3.942  -1.456  -7.103
  112    HE2  HIS  14           HE3      HIS  14   4.611   0.756  -8.239
  113    H    LEU  15           H        LEU  15   3.609  -0.890  -0.302
  114    HA   LEU  15           HA       LEU  15   5.070  -2.294   0.824
  115    HB2  LEU  15           HB3      LEU  15   5.914  -3.052  -2.007
  116    HB3  LEU  15           HB2      LEU  15   6.717  -3.742  -0.630
  117    HG   LEU  15           HG       LEU  15   5.092  -5.253  -1.522
  118   HD11  LEU  15          HD11      LEU  15   3.928  -5.895   0.679
  119   HD12  LEU  15          HD12      LEU  15   4.112  -4.259   1.307
  120   HD13  LEU  15          HD13      LEU  15   5.542  -5.268   1.074
  121   HD21  LEU  15          HD21      LEU  15   3.401  -3.637  -2.392
  122   HD22  LEU  15          HD22      LEU  15   2.840  -3.313  -0.734
  123   HD23  LEU  15          HD23      LEU  15   2.658  -4.938  -1.429
  124    H    ASN  16           H        ASN  16   5.727   0.407   0.978
  125    HA   ASN  16           HA       ASN  16   7.407   1.918   1.443
  126    HB2  ASN  16           HB2      ASN  16   7.623   0.180   3.191
  127    HB3  ASN  16           HB3      ASN  16   8.976  -0.481   2.290
  128   HD21  ASN  16          HD21      ASN  16   9.574   2.970   4.472
  129   HD22  ASN  16          HD22      ASN  16   7.890   2.317   4.145
  130    H    GLU  17           H        GLU  17   7.109   1.470  -1.261
  131    HA   GLU  17           HA       GLU  17   8.088   1.782  -3.314
  132    HB2  GLU  17           HB3      GLU  17  10.463   2.823  -1.831
  133    HB3  GLU  17           HB2      GLU  17  10.254   2.960  -3.566
  134    HG2  GLU  17           HG3      GLU  17   8.196   4.335  -3.296
  135    HG3  GLU  17           HG2      GLU  17   8.218   4.108  -1.552
  136    HE2  GLU  17           HE2      GLU  17  10.659   6.769  -3.388
  137    H    HIS  18           H        HIS  18   7.938  -0.840  -2.567
  138    HA   HIS  18           HA       HIS  18   8.667  -2.953  -2.964
  139    HB2  HIS  18           HB3      HIS  18   8.574  -1.885  -5.228
  140    HB3  HIS  18           HB2      HIS  18  10.331  -1.783  -5.245
  141    HD2  HIS  18           HD2      HIS  18   9.556  -3.340  -7.479
  142    HE1  HIS  18           HE2      HIS  18   9.513  -6.924  -5.354
  143    HE2  HIS  18           HE3      HIS  18   9.571  -6.005  -7.759
  144    H    ALA  19           H        ALA  19   9.625  -3.295  -0.995
  145    HA   ALA  19           HA       ALA  19  12.434  -4.017  -1.000
  146    HB1  ALA  19           HB1      ALA  19  13.254  -2.560   0.896
  147    HB2  ALA  19           HB2      ALA  19  12.856  -1.594  -0.537
  148    HB3  ALA  19           HB3      ALA  19  11.738  -1.625   0.848
  149    H    HIS  20           H        HIS  20  11.791  -5.988  -0.351
  150    HA   HIS  20           HA       HIS  20   9.896  -6.522   1.774
  151    HB2  HIS  20           HB3      HIS  20  10.369  -7.998  -0.246
  152    HB3  HIS  20           HB2      HIS  20  11.841  -8.536   0.535
  153    HD2  HIS  20           HD2      HIS  20  10.284 -10.835   0.036
  154    HE1  HIS  20           HE2      HIS  20   8.075 -10.516   3.553
  155    HE2  HIS  20           HE3      HIS  20   8.676 -12.190   1.691
  156    HC   HIS  20           HC       HIS  20  12.812  -7.168   2.782
  Start of MODEL    3
    1    H1   SER   1           H        SER   1 -10.993  -5.317   1.662
    2    HA   SER   1           HA       SER   1  -9.485  -4.572  -0.899
    3    HB2  SER   1           HB3      SER   1 -10.092  -7.059  -0.441
    4    HB3  SER   1           HB2      SER   1 -11.794  -6.602  -0.633
    5    HG   SER   1           HG       SER   1  -9.700  -6.181  -2.512
    6    H    ASP   2           H        ASP   2 -10.866  -2.629   0.633
    7    HA   ASP   2           HA       ASP   2 -12.417  -1.354  -1.447
    8    HB2  ASP   2           HB3      ASP   2 -14.239  -3.001  -0.318
    9    HB3  ASP   2           HB2      ASP   2 -14.122  -1.977   1.083
   10    HD2  ASP   2           HD2      ASP   2 -14.709  -2.018  -2.274
   11    H    THR   3           H        THR   3 -10.355  -0.213  -0.818
   12    HA   THR   3           HA       THR   3 -10.960   2.052   0.974
   13    HB   THR   3           HB       THR   3  -9.470   0.055   1.956
   14    HG1  THR   3           HG1      THR   3 -10.087   1.988   2.914
   15   HG21  THR   3          HG21      THR   3  -7.044   0.594   1.900
   16   HG22  THR   3          HG22      THR   3  -7.297   1.749   0.597
   17   HG23  THR   3          HG23      THR   3  -7.649   0.057   0.291
   18    H    ARG   4           H        ARG   4 -11.708   2.485  -1.117
   19    HA   ARG   4           HA       ARG   4  -9.964   3.292  -3.235
   20    HB2  ARG   4           HB2      ARG   4 -12.766   4.489  -2.560
   21    HB3  ARG   4           HB3      ARG   4 -11.875   4.903  -3.997
   22    HG2  ARG   4           HG3      ARG   4 -13.419   3.313  -4.742
   23    HG3  ARG   4           HG2      ARG   4 -11.879   2.489  -4.752
   24    HD2  ARG   4           HD2      ARG   4 -13.596   0.940  -3.978
   25    HD3  ARG   4           HD3      ARG   4 -12.508   1.235  -2.654
   26   HH11  ARG   4          HH11      ARG   4 -15.454   1.465  -4.618
   27   HH12  ARG   4          HH12      ARG   4 -17.171   1.817  -4.077
   28   HH21  ARG   4          HH21      ARG   4 -16.214   2.823  -0.928
   29   HH22  ARG   4          HH22      ARG   4 -17.570   2.533  -2.130
   30    H    TYR   5           H        TYR   5 -11.070   5.252  -0.529
   31    HA   TYR   5           HA       TYR   5  -9.372   7.538  -1.452
   32    HB2  TYR   5           HB2      TYR   5 -11.765   7.906  -0.561
   33    HB3  TYR   5           HB3      TYR   5 -11.189   7.452   1.025
   34    HD1  TYR   5           HD1      TYR   5 -10.352   9.230   2.451
   35    HD2  TYR   5           HD2      TYR   5 -10.549   9.919  -1.794
   36    HE1  TYR   5           HE1      TYR   5  -9.781  11.592   2.800
   37    HE2  TYR   5           HE2      TYR   5  -9.976  12.280  -1.429
   38    HH   TYR   5           HH       TYR   5  -9.407  13.564   1.849
   39    H    ASN   6           H        ASN   6  -8.371   4.976  -0.455
   40    HA   ASN   6           HA       ASN   6  -6.085   5.937   1.175
   41    HB2  ASN   6           HB2      ASN   6  -7.849   4.882   2.513
   42    HB3  ASN   6           HB3      ASN   6  -7.570   3.449   1.634
   43   HD21  ASN   6          HD21      ASN   6  -4.581   4.460   4.332
   44   HD22  ASN   6          HD22      ASN   6  -5.470   5.771   3.406
   45    H    LYS   7           H        LYS   7  -7.104   3.462  -1.173
   46    HA   LYS   7           HA       LYS   7  -5.970   2.543  -3.001
   47    HB2  LYS   7           HB2      LYS   7  -3.719   4.487  -2.499
   48    HB3  LYS   7           HB3      LYS   7  -3.914   3.441  -3.894
   49    HG2  LYS   7           HG2      LYS   7  -5.840   5.692  -3.051
   50    HG3  LYS   7           HG3      LYS   7  -4.620   5.828  -4.295
   51    HD2  LYS   7           HD2      LYS   7  -7.086   3.979  -4.379
   52    HD3  LYS   7           HD3      LYS   7  -6.968   5.528  -5.168
   53    HE2  LYS   7           HE3      LYS   7  -5.214   3.073  -5.874
   54    HE3  LYS   7           HE2      LYS   7  -6.677   3.556  -6.723
   55    HZ2  LYS   7           HZ2      LYS   7  -4.754   4.349  -7.864
   56    HZ3  LYS   7           HZ3      LYS   7  -5.629   5.626  -7.340
   57    H    SER   8           H        SER   8  -6.102   0.704  -1.242
   58    HA   SER   8           HA       SER   8  -5.189  -0.860   0.288
   59    HB2  SER   8           HB2      SER   8  -5.079  -1.839  -1.762
   60    HB3  SER   8           HB3      SER   8  -3.732  -0.832  -2.270
   61    HG   SER   8           HG       SER   8  -3.692  -2.839  -0.247
   62    H    PHE   9           H        PHE   9  -4.554   1.360   1.708
   63    HA   PHE   9           HA       PHE   9  -3.139   2.361   3.160
   64    HB2  PHE   9           HB3      PHE   9  -3.337   0.004   3.929
   65    HB3  PHE   9           HB2      PHE   9  -1.752  -0.272   3.239
   66    HD1  PHE   9           HD1      PHE   9  -2.918   2.721   5.339
   67    HD2  PHE   9           HD2      PHE   9  -0.543  -0.874   5.200
   68    HE1  PHE   9           HE1      PHE   9  -2.046   3.196   7.578
   69    HE2  PHE   9           HE2      PHE   9   0.296  -0.387   7.454
   70    HZ   PHE   9           HZ       PHE   9  -0.450   1.643   8.650
   71    H    ILE  10           H        ILE  10  -2.548   3.219   0.629
   72    HA   ILE  10           HA       ILE  10  -0.989   4.545  -0.498
   73    HB   ILE  10           HB       ILE  10   0.798   4.363   1.855
   74   HG12  ILE  10          HG13      ILE  10  -1.015   6.754   1.148
   75   HG13  ILE  10          HG12      ILE  10  -1.626   5.430   2.130
   76   HG21  ILE  10          HG21      ILE  10   1.858   6.484   0.952
   77   HG22  ILE  10          HG22      ILE  10   2.086   5.138  -0.159
   78   HG23  ILE  10          HG23      ILE  10   0.845   6.359  -0.505
   79   HD11  ILE  10          HD11      ILE  10  -0.845   7.235   3.607
   80   HD12  ILE  10          HD12      ILE  10   0.183   5.803   3.853
   81   HD13  ILE  10          HD13      ILE  10   0.788   7.189   2.906
   82    H    ASN  11           H        ASN  11  -1.058   2.329  -1.941
   83    HA   ASN  11           HA       ASN  11  -0.136   0.312  -2.780
   84    HB2  ASN  11           HB2      ASN  11   0.419   2.118  -4.122
   85    HB3  ASN  11           HB3      ASN  11   1.682   2.617  -3.054
   86   HD21  ASN  11          HD21      ASN  11   2.460  -0.464  -5.738
   87   HD22  ASN  11          HD22      ASN  11   0.762  -0.183  -5.101
   88    H    ASN  12           H        ASN  12  -0.203  -0.410  -0.182
   89    HA   ASN  12           HA       ASN  12   0.780  -1.609   1.527
   90    HB2  ASN  12           HB3      ASN  12   0.890  -3.081  -0.468
   91    HB3  ASN  12           HB2      ASN  12   2.581  -2.644  -0.613
   92   HD21  ASN  12          HD21      ASN  12   1.492  -5.318   2.340
   93   HD22  ASN  12          HD22      ASN  12   0.244  -4.281   1.484
   94    H    LYS  13           H        LYS  13   1.540   1.033   1.719
   95    HA   LYS  13           HA       LYS  13   3.112   2.492   2.672
   96    HB2  LYS  13           HB3      LYS  13   4.236  -0.033   3.958
   97    HB3  LYS  13           HB2      LYS  13   4.744   1.594   4.354
   98    HG2  LYS  13           HG2      LYS  13   1.921   0.454   4.743
   99    HG3  LYS  13           HG3      LYS  13   3.113   0.698   5.999
  100    HD2  LYS  13           HD2      LYS  13   1.707   2.928   4.390
  101    HD3  LYS  13           HD3      LYS  13   1.324   2.420   6.020
  102    HE2  LYS  13           HE2      LYS  13   3.617   3.159   6.826
  103    HE3  LYS  13           HE3      LYS  13   4.002   3.718   5.191
  104    HZ2  LYS  13           HZ2      LYS  13   3.189   5.491   6.594
  105    HZ3  LYS  13           HZ3      LYS  13   1.779   4.715   6.883
  106    H    HIS  14           H        HIS  14   3.494   2.226   0.029
  107    HA   HIS  14           HA       HIS  14   4.973   2.217  -1.765
  108    HB2  HIS  14           HB2      HIS  14   5.598   4.201  -0.293
  109    HB3  HIS  14           HB3      HIS  14   7.020   3.301   0.224
  110    HD2  HIS  14           HD2      HIS  14   7.931   5.692  -0.988
  111    HE1  HIS  14           HE2      HIS  14   7.977   4.083  -4.832
  112    HE2  HIS  14           HE3      HIS  14   8.896   6.060  -3.462
  113    H    LEU  15           H        LEU  15   4.551  -0.376  -0.894
  114    HA   LEU  15           HA       LEU  15   5.442  -2.516  -0.899
  115    HB2  LEU  15           HB3      LEU  15   7.499  -1.239  -2.751
  116    HB3  LEU  15           HB2      LEU  15   7.642  -2.905  -2.278
  117    HG   LEU  15           HG       LEU  15   6.671  -2.702  -4.460
  118   HD11  LEU  15          HD11      LEU  15   4.695  -4.315  -4.136
  119   HD12  LEU  15          HD12      LEU  15   4.487  -3.798  -2.465
  120   HD13  LEU  15          HD13      LEU  15   5.930  -4.708  -2.922
  121   HD21  LEU  15          HD21      LEU  15   4.430  -1.816  -4.941
  122   HD22  LEU  15          HD22      LEU  15   4.191  -1.346  -3.244
  123   HD23  LEU  15          HD23      LEU  15   5.446  -0.544  -4.220
  124    H    ASN  16           H        ASN  16   5.766  -1.147   1.495
  125    HA   ASN  16           HA       ASN  16   6.956  -1.047   3.466
  126    HB2  ASN  16           HB3      ASN  16   6.513  -3.456   3.124
  127    HB3  ASN  16           HB2      ASN  16   8.168  -3.628   2.566
  128   HD21  ASN  16          HD21      ASN  16   7.496  -3.230   6.618
  129   HD22  ASN  16          HD22      ASN  16   6.178  -2.894   5.386
  130    H    GLU  17           H        GLU  17   7.908   0.713   1.569
  131    HA   GLU  17           HA       GLU  17   9.664   2.093   1.029
  132    HB2  GLU  17           HB3      GLU  17  11.056   0.964   3.419
  133    HB3  GLU  17           HB2      GLU  17  11.622   2.361   2.523
  134    HG2  GLU  17           HG3      GLU  17   9.557   3.645   3.056
  135    HG3  GLU  17           HG2      GLU  17   8.827   2.241   3.824
  136    HE2  GLU  17           HE2      GLU  17  11.616   4.496   5.709
  137    H    HIS  18           H        HIS  18   9.401  -0.040  -0.654
  138    HA   HIS  18           HA       HIS  18  10.388  -1.294  -2.267
  139    HB2  HIS  18           HB2      HIS  18  11.226   1.029  -2.681
  140    HB3  HIS  18           HB3      HIS  18  12.796   0.572  -2.029
  141    HD2  HIS  18           HD2      HIS  18  13.210   1.441  -4.692
  142    HE1  HIS  18           HE2      HIS  18  12.505  -2.316  -6.350
  143    HE2  HIS  18           HE3      HIS  18  13.550  -0.030  -6.907
  144    H    ALA  19           H        ALA  19  10.394  -3.210  -1.152
  145    HA   ALA  19           HA       ALA  19  12.960  -4.515  -0.787
  146    HB1  ALA  19           HB1      ALA  19  11.343  -4.128   1.831
  147    HB2  ALA  19           HB2      ALA  19  12.953  -3.455   1.480
  148    HB3  ALA  19           HB3      ALA  19  12.744  -5.210   1.634
  149    H    HIS  20           H        HIS  20  12.238  -6.020  -2.181
  150    HA   HIS  20           HA       HIS  20   9.644  -7.315  -2.062
  151    HB2  HIS  20           HB3      HIS  20  11.084  -6.917  -4.145
  152    HB3  HIS  20           HB2      HIS  20  12.087  -8.267  -3.654
  153    HD2  HIS  20           HD2      HIS  20  11.096  -8.871  -6.224
  154    HE1  HIS  20           HE2      HIS  20   7.505 -10.472  -4.850
  155    HE2  HIS  20           HE3      HIS  20   9.010 -10.387  -6.937
  156    HC   HIS  20           HC       HIS  20  10.192  -9.212  -0.549
  Start of MODEL    4
    1    H1   SER   1           H        SER   1 -12.042  -4.709   2.929
    2    HA   SER   1           HA       SER   1 -11.455  -5.582   0.050
    3    HB2  SER   1           HB3      SER   1 -13.238  -6.854   1.440
    4    HB3  SER   1           HB2      SER   1 -14.210  -5.371   1.413
    5    HG   SER   1           HG       SER   1 -14.060  -5.438  -0.877
    6    H    ASP   2           H        ASP   2 -10.637  -3.056   1.029
    7    HA   ASP   2           HA       ASP   2 -11.718  -1.353  -1.065
    8    HB2  ASP   2           HB3      ASP   2 -13.521  -1.036   0.903
    9    HB3  ASP   2           HB2      ASP   2 -12.236  -0.317   1.829
   10    HD2  ASP   2           HD2      ASP   2 -13.851   1.620  -1.368
   11    H    THR   3           H        THR   3  -9.424  -1.955  -1.301
   12    HA   THR   3           HA       THR   3  -7.465  -0.241   0.069
   13    HB   THR   3           HB       THR   3  -7.033  -2.676  -0.648
   14    HG1  THR   3           HG1      THR   3  -5.455  -1.243   0.059
   15   HG21  THR   3          HG21      THR   3  -7.786  -2.480  -3.059
   16   HG22  THR   3          HG22      THR   3  -6.442  -1.349  -3.370
   17   HG23  THR   3          HG23      THR   3  -6.097  -3.033  -2.906
   18    H    ARG   4           H        ARG   4  -9.211   0.685  -2.245
   19    HA   ARG   4           HA       ARG   4  -8.813   2.478  -3.854
   20    HB2  ARG   4           HB2      ARG   4  -7.620   3.832  -1.349
   21    HB3  ARG   4           HB3      ARG   4  -8.247   4.709  -2.715
   22    HG2  ARG   4           HG3      ARG   4  -9.909   3.046  -0.728
   23    HG3  ARG   4           HG2      ARG   4  -9.738   4.793  -0.761
   24    HD2  ARG   4           HD2      ARG   4 -10.869   4.852  -3.057
   25    HD3  ARG   4           HD3      ARG   4 -11.093   3.095  -2.957
   26   HH11  ARG   4          HH11      ARG   4 -15.446   4.266  -1.646
   27   HH12  ARG   4          HH12      ARG   4 -14.268   4.588  -0.275
   28   HH21  ARG   4          HH21      ARG   4 -14.760   3.773  -3.585
   29   HH22  ARG   4          HH22      ARG   4 -12.965   3.654  -3.946
   30    H    TYR   5           H        TYR   5  -6.879   0.579  -3.873
   31    HA   TYR   5           HA       TYR   5  -4.954   0.096  -5.064
   32    HB2  TYR   5           HB3      TYR   5  -6.302   0.564  -6.813
   33    HB3  TYR   5           HB2      TYR   5  -6.334   2.265  -6.567
   34    HD1  TYR   5           HD1      TYR   5  -4.164  -0.564  -7.803
   35    HD2  TYR   5           HD2      TYR   5  -4.664   3.710  -7.740
   36    HE1  TYR   5           HE1      TYR   5  -2.410  -0.326  -9.508
   37    HE2  TYR   5           HE2      TYR   5  -2.909   3.934  -9.445
   38    HH   TYR   5           HH       TYR   5  -1.447   2.879 -10.742
   39    H    ASN   6           H        ASN   6  -4.934   1.351  -2.712
   40    HA   ASN   6           HA       ASN   6  -4.016   1.542  -1.402
   41    HB2  ASN   6           HB2      ASN   6  -1.985   1.562  -0.513
   42    HB3  ASN   6           HB3      ASN   6  -2.976   0.299  -0.568
   43   HD21  ASN   6          HD21      ASN   6  -1.621  -1.656  -3.221
   44   HD22  ASN   6          HD22      ASN   6  -3.124  -1.081  -2.313
   45    H    LYS   7           H        LYS   7  -5.070   3.549  -1.312
   46    HA   LYS   7           HA       LYS   7  -3.772   5.685   0.086
   47    HB2  LYS   7           HB2      LYS   7  -6.716   5.361  -0.152
   48    HB3  LYS   7           HB3      LYS   7  -5.724   6.770   0.222
   49    HG2  LYS   7           HG3      LYS   7  -6.121   5.512  -2.556
   50    HG3  LYS   7           HG2      LYS   7  -6.853   6.999  -2.008
   51    HD2  LYS   7           HD2      LYS   7  -3.834   6.534  -2.426
   52    HD3  LYS   7           HD3      LYS   7  -4.893   7.297  -3.585
   53    HE2  LYS   7           HE2      LYS   7  -4.268   8.439  -0.771
   54    HE3  LYS   7           HE3      LYS   7  -3.461   8.914  -2.260
   55    HZ2  LYS   7           HZ2      LYS   7  -6.349   9.267  -1.695
   56    HZ3  LYS   7           HZ3      LYS   7  -5.210  10.440  -1.659
   57    H    SER   8           H        SER   8  -5.860   2.756   0.373
   58    HA   SER   8           HA       SER   8  -5.870   2.745   3.207
   59    HB2  SER   8           HB3      SER   8  -7.501   1.355   1.962
   60    HB3  SER   8           HB2      SER   8  -6.137   0.302   1.520
   61    HG   SER   8           HG       SER   8  -6.997   0.905   4.149
   62    H    PHE   9           H        PHE   9  -3.888   2.708   4.442
   63    HA   PHE   9           HA       PHE   9  -2.088   2.220   5.093
   64    HB2  PHE   9           HB3      PHE   9  -2.763  -0.041   4.647
   65    HB3  PHE   9           HB2      PHE   9  -1.636  -0.066   3.326
   66    HD1  PHE   9           HD1      PHE   9  -0.151  -1.820   4.096
   67    HD2  PHE   9           HD2      PHE   9  -1.259   1.246   6.916
   68    HE1  PHE   9           HE1      PHE   9   1.229  -2.883   5.813
   69    HE2  PHE   9           HE2      PHE   9   0.118   0.154   8.620
   70    HZ   PHE   9           HZ       PHE   9   1.350  -1.919   8.085
   71    H    ILE  10           H        ILE  10  -2.355   4.021   2.695
   72    HA   ILE  10           HA       ILE  10  -1.197   5.706   1.748
   73    HB   ILE  10           HB       ILE  10   0.863   5.331   3.878
   74   HG12  ILE  10          HG12      ILE  10  -1.277   7.545   3.690
   75   HG13  ILE  10          HG13      ILE  10  -1.572   6.025   4.530
   76   HG21  ILE  10          HG21      ILE  10   1.913   6.545   1.941
   77   HG22  ILE  10          HG22      ILE  10   0.573   7.713   1.927
   78   HG23  ILE  10          HG23      ILE  10   1.703   7.649   3.301
   79   HD11  ILE  10          HD11      ILE  10   0.344   6.478   6.115
   80   HD12  ILE  10          HD12      ILE  10   0.610   8.056   5.325
   81   HD13  ILE  10          HD13      ILE  10  -0.919   7.730   6.170
   82    H    ASN  11           H        ASN  11  -0.701   4.447  -0.389
   83    HA   ASN  11           HA       ASN  11  -0.301   2.637  -1.594
   84    HB2  ASN  11           HB2      ASN  11   0.905   4.674  -2.048
   85    HB3  ASN  11           HB3      ASN  11   2.153   4.174  -0.956
   86   HD21  ASN  11          HD21      ASN  11   1.958   2.358  -4.699
   87   HD22  ASN  11          HD22      ASN  11   0.429   2.902  -3.844
   88    H    ASN  12           H        ASN  12  -0.865   1.251   1.072
   89    HA   ASN  12           HA       ASN  12   0.032  -0.599   2.308
   90    HB2  ASN  12           HB2      ASN  12  -0.522  -1.442   0.057
   91    HB3  ASN  12           HB3      ASN  12   1.197  -1.424  -0.285
   92   HD21  ASN  12          HD21      ASN  12  -0.319  -4.436   2.086
   93   HD22  ASN  12          HD22      ASN  12  -1.316  -2.960   1.645
   94    H    LYS  13           H        LYS  13   1.437   1.632   2.965
   95    HA   LYS  13           HA       LYS  13   3.328   2.383   4.069
   96    HB2  LYS  13           HB3      LYS  13   3.855  -0.598   4.379
   97    HB3  LYS  13           HB2      LYS  13   5.082   0.541   4.866
   98    HG2  LYS  13           HG2      LYS  13   2.231   0.890   5.931
   99    HG3  LYS  13           HG3      LYS  13   3.294  -0.343   6.576
  100    HD2  LYS  13           HD2      LYS  13   3.404   1.510   8.027
  101    HD3  LYS  13           HD3      LYS  13   4.979   1.320   7.299
  102    HE2  LYS  13           HE3      LYS  13   2.931   3.413   6.272
  103    HE3  LYS  13           HE2      LYS  13   3.963   3.725   7.664
  104    HZ2  LYS  13           HZ2      LYS  13   4.943   3.098   4.944
  105    HZ3  LYS  13           HZ3      LYS  13   4.924   4.573   5.647
  106    H    HIS  14           H        HIS  14   3.254   2.913   1.388
  107    HA   HIS  14           HA       HIS  14   4.465   3.096  -0.618
  108    HB2  HIS  14           HB2      HIS  14   5.582   4.581   1.154
  109    HB3  HIS  14           HB3      HIS  14   6.904   3.420   1.180
  110    HD2  HIS  14           HD2      HIS  14   7.989   5.914   0.388
  111    HE1  HIS  14           HE2      HIS  14   7.142   5.358  -3.655
  112    HE2  HIS  14           HE3      HIS  14   8.579   6.797  -2.074
  113    H    LEU  15           H        LEU  15   3.817   0.417  -0.250
  114    HA   LEU  15           HA       LEU  15   4.330  -1.716  -0.930
  115    HB2  LEU  15           HB3      LEU  15   6.308  -0.300  -2.748
  116    HB3  LEU  15           HB2      LEU  15   6.318  -2.035  -2.635
  117    HG   LEU  15           HG       LEU  15   5.113  -1.360  -4.567
  118   HD11  LEU  15          HD11      LEU  15   4.261  -3.492  -3.252
  119   HD12  LEU  15          HD12      LEU  15   2.990  -2.755  -4.252
  120   HD13  LEU  15          HD13      LEU  15   3.008  -2.494  -2.511
  121   HD21  LEU  15          HD21      LEU  15   3.060   0.095  -2.792
  122   HD22  LEU  15          HD22      LEU  15   4.264   0.843  -3.875
  123   HD23  LEU  15          HD23      LEU  15   2.952  -0.148  -4.552
  124    H    ASN  16           H        ASN  16   5.026  -1.172   1.664
  125    HA   ASN  16           HA       ASN  16   6.437  -1.684   3.410
  126    HB2  ASN  16           HB2      ASN  16   5.669  -3.871   2.517
  127    HB3  ASN  16           HB3      ASN  16   7.219  -4.017   1.711
  128   HD21  ASN  16          HD21      ASN  16   7.056  -4.678   5.784
  129   HD22  ASN  16          HD22      ASN  16   5.673  -3.870   4.888
  130    H    GLU  17           H        GLU  17   7.414   0.410   1.871
  131    HA   GLU  17           HA       GLU  17   9.268   1.712   1.486
  132    HB2  GLU  17           HB3      GLU  17  10.714  -0.096   3.372
  133    HB3  GLU  17           HB2      GLU  17  11.363   1.418   2.774
  134    HG2  GLU  17           HG3      GLU  17   9.524   2.720   3.819
  135    HG3  GLU  17           HG2      GLU  17   8.687   1.252   4.307
  136    HE2  GLU  17           HE2      GLU  17  10.691   0.600   7.061
  137    H    HIS  18           H        HIS  18   8.617   0.192  -0.633
  138    HA   HIS  18           HA       HIS  18   9.304  -0.653  -2.623
  139    HB2  HIS  18           HB2      HIS  18  10.527   1.514  -2.454
  140    HB3  HIS  18           HB3      HIS  18  12.019   0.647  -2.100
  141    HD2  HIS  18           HD2      HIS  18  12.461   2.167  -4.450
  142    HE1  HIS  18           HE2      HIS  18  11.041  -0.808  -7.000
  143    HE2  HIS  18           HE3      HIS  18  12.444   1.351  -7.004
  144    H    ALA  19           H        ALA  19   8.953  -2.764  -1.897
  145    HA   ALA  19           HA       ALA  19  11.263  -4.597  -2.071
  146    HB1  ALA  19           HB1      ALA  19  11.241  -4.123   0.382
  147    HB2  ALA  19           HB2      ALA  19   9.520  -4.576   0.464
  148    HB3  ALA  19           HB3      ALA  19  10.750  -5.794   0.047
  149    H    HIS  20           H        HIS  20   8.937  -6.197  -0.931
  150    HA   HIS  20           HA       HIS  20   7.966  -7.317  -3.422
  151    HB2  HIS  20           HB3      HIS  20   8.204  -8.558  -1.194
  152    HB3  HIS  20           HB2      HIS  20   6.686  -7.851  -0.684
  153    HD2  HIS  20           HD2      HIS  20   6.373 -10.650  -0.547
  154    HE1  HIS  20           HE2      HIS  20   5.329 -11.084  -4.556
  155    HE2  HIS  20           HE3      HIS  20   5.260 -12.332  -2.305
  156    HC   HIS  20           HC       HIS  20   5.935  -5.940  -3.841
  Start of MODEL    5
    1    H1   SER   1           H        SER   1 -14.393  -2.591   3.734
    2    HA   SER   1           HA       SER   1 -12.399  -4.428   2.316
    3    HB2  SER   1           HB3      SER   1 -14.339  -5.445   3.695
    4    HB3  SER   1           HB2      SER   1 -15.459  -4.772   2.496
    5    HG   SER   1           HG       SER   1 -13.274  -6.523   1.992
    6    H    ASP   2           H        ASP   2 -12.696  -1.690   1.592
    7    HA   ASP   2           HA       ASP   2 -12.836  -1.946  -1.274
    8    HB2  ASP   2           HB3      ASP   2 -15.449  -1.694  -0.638
    9    HB3  ASP   2           HB2      ASP   2 -15.065  -0.059  -0.190
   10    HD2  ASP   2           HD2      ASP   2 -15.015  -2.353  -2.685
   11    H    THR   3           H        THR   3 -10.593  -1.235  -0.303
   12    HA   THR   3           HA       THR   3 -10.206   1.554   0.107
   13    HB   THR   3           HB       THR   3  -8.645  -1.045   0.088
   14    HG1  THR   3           HG1      THR   3 -10.352  -0.981   1.613
   15   HG21  THR   3          HG21      THR   3  -8.037   1.589   1.423
   16   HG22  THR   3          HG22      THR   3  -7.098   0.060   1.614
   17   HG23  THR   3          HG23      THR   3  -7.150   0.866   0.023
   18    H    ARG   4           H        ARG   4 -11.221   1.059  -2.292
   19    HA   ARG   4           HA       ARG   4  -9.323   1.216  -4.443
   20    HB2  ARG   4           HB3      ARG   4 -12.138   2.556  -4.480
   21    HB3  ARG   4           HB2      ARG   4 -11.189   2.227  -5.906
   22    HG2  ARG   4           HG3      ARG   4 -12.448   0.143  -4.032
   23    HG3  ARG   4           HG2      ARG   4 -13.030   0.599  -5.614
   24    HD2  ARG   4           HD2      ARG   4 -10.373  -0.886  -5.037
   25    HD3  ARG   4           HD3      ARG   4 -11.869  -1.619  -5.559
   26   HH11  ARG   4          HH11      ARG   4  -7.780   0.143  -7.369
   27   HH12  ARG   4          HH12      ARG   4  -8.749  -0.190  -5.847
   28   HH21  ARG   4          HH21      ARG   4 -10.505  -0.170  -9.446
   29   HH22  ARG   4          HH22      ARG   4  -8.708   0.153  -9.265
   30    H    TYR   5           H        TYR   5 -10.657   3.873  -2.579
   31    HA   TYR   5           HA       TYR   5  -9.004   5.840  -4.139
   32    HB2  TYR   5           HB2      TYR   5 -11.499   6.314  -3.692
   33    HB3  TYR   5           HB3      TYR   5 -11.113   6.478  -1.998
   34    HD1  TYR   5           HD1      TYR   5 -10.471   8.685  -1.202
   35    HD2  TYR   5           HD2      TYR   5 -10.215   7.860  -5.419
   36    HE1  TYR   5           HE1      TYR   5 -10.000  11.054  -1.644
   37    HE2  TYR   5           HE2      TYR   5  -9.745  10.233  -5.846
   38    HH   TYR   5           HH       TYR   5  -9.573  12.597  -3.182
   39    H    ASN   6           H        ASN   6  -7.896   3.844  -2.401
   40    HA   ASN   6           HA       ASN   6  -5.999   5.511  -0.843
   41    HB2  ASN   6           HB2      ASN   6  -7.938   4.451   0.486
   42    HB3  ASN   6           HB3      ASN   6  -7.088   2.985   0.157
   43   HD21  ASN   6          HD21      ASN   6  -5.264   5.588   2.830
   44   HD22  ASN   6          HD22      ASN   6  -6.229   6.242   1.412
   45    H    LYS   7           H        LYS   7  -6.529   2.381  -2.443
   46    HA   LYS   7           HA       LYS   7  -5.119   0.964  -3.637
   47    HB2  LYS   7           HB2      LYS   7  -2.948   3.056  -3.440
   48    HB3  LYS   7           HB3      LYS   7  -2.929   1.611  -4.433
   49    HG2  LYS   7           HG3      LYS   7  -4.930   3.939  -4.689
   50    HG3  LYS   7           HG2      LYS   7  -3.515   3.717  -5.691
   51    HD2  LYS   7           HD3      LYS   7  -5.949   1.817  -5.600
   52    HD3  LYS   7           HD2      LYS   7  -5.680   3.081  -6.786
   53    HE2  LYS   7           HE3      LYS   7  -3.548   1.914  -7.568
   54    HE3  LYS   7           HE2      LYS   7  -3.850   0.611  -6.409
   55    HZ2  LYS   7           HZ2      LYS   7  -5.691   1.399  -8.598
   56    HZ3  LYS   7           HZ3      LYS   7  -5.969   0.197  -7.525
   57    H    SER   8           H        SER   8  -5.590  -0.159  -1.363
   58    HA   SER   8           HA       SER   8  -4.949  -1.057   0.737
   59    HB2  SER   8           HB3      SER   8  -4.661  -2.685  -0.842
   60    HB3  SER   8           HB2      SER   8  -3.189  -1.946  -1.456
   61    HG   SER   8           HG       SER   8  -3.562  -3.127   1.110
   62    H    PHE   9           H        PHE   9  -4.335   1.522   1.324
   63    HA   PHE   9           HA       PHE   9  -3.027   2.959   2.492
   64    HB2  PHE   9           HB2      PHE   9  -3.484   1.056   4.029
   65    HB3  PHE   9           HB3      PHE   9  -1.856   0.506   3.702
   66    HD1  PHE   9           HD1      PHE   9  -0.745   0.733   5.791
   67    HD2  PHE   9           HD2      PHE   9  -3.196   4.022   4.469
   68    HE1  PHE   9           HE1      PHE   9  -0.098   2.031   7.771
   69    HE2  PHE   9           HE2      PHE   9  -2.514   5.307   6.443
   70    HZ   PHE   9           HZ       PHE   9  -0.973   4.318   8.102
   71    H    ILE  10           H        ILE  10  -2.098   2.841  -0.071
   72    HA   ILE  10           HA       ILE  10  -0.330   3.621  -1.381
   73    HB   ILE  10           HB       ILE  10   1.132   4.282   1.106
   74   HG12  ILE  10          HG13      ILE  10  -0.407   6.238  -0.717
   75   HG13  ILE  10          HG12      ILE  10  -1.203   5.428   0.627
   76   HG21  ILE  10          HG21      ILE  10   1.650   5.235  -1.790
   77   HG22  ILE  10          HG22      ILE  10   2.735   4.207  -0.833
   78   HG23  ILE  10          HG23      ILE  10   2.471   5.876  -0.348
   79   HD11  ILE  10          HD11      ILE  10   0.422   6.446   2.267
   80   HD12  ILE  10          HD12      ILE  10  -0.491   7.664   1.348
   81   HD13  ILE  10          HD13      ILE  10   1.204   7.333   0.932
   82    H    ASN  11           H        ASN  11  -0.390   1.043  -1.942
   83    HA   ASN  11           HA       ASN  11   0.466  -1.162  -1.880
   84    HB2  ASN  11           HB3      ASN  11   1.287   0.029  -3.687
   85    HB3  ASN  11           HB2      ASN  11   2.468   0.838  -2.719
   86   HD21  ASN  11          HD21      ASN  11   3.281  -3.031  -4.014
   87   HD22  ASN  11          HD22      ASN  11   1.556  -2.500  -3.687
   88    H    ASN  12           H        ASN  12   0.073  -0.898   0.777
   89    HA   ASN  12           HA       ASN  12   0.780  -1.442   2.909
   90    HB2  ASN  12           HB3      ASN  12   0.974  -3.531   1.585
   91    HB3  ASN  12           HB2      ASN  12   2.702  -3.241   1.512
   92   HD21  ASN  12          HD21      ASN  12   1.093  -4.639   5.049
   93   HD22  ASN  12          HD22      ASN  12   0.031  -3.939   3.726
   94    H    LYS  13           H        LYS  13   1.697   1.079   2.332
   95    HA   LYS  13           HA       LYS  13   3.282   2.704   2.928
   96    HB2  LYS  13           HB3      LYS  13   4.154   0.666   5.016
   97    HB3  LYS  13           HB2      LYS  13   4.732   2.315   4.958
   98    HG2  LYS  13           HG2      LYS  13   1.746   1.625   5.314
   99    HG3  LYS  13           HG3      LYS  13   2.889   1.737   6.625
  100    HD2  LYS  13           HD2      LYS  13   1.920   3.801   6.736
  101    HD3  LYS  13           HD3      LYS  13   3.417   4.174   5.906
  102    HE2  LYS  13           HE2      LYS  13   2.180   4.356   3.709
  103    HE3  LYS  13           HE3      LYS  13   0.695   3.770   4.467
  104    HZ2  LYS  13           HZ2      LYS  13   0.689   5.724   5.868
  105    HZ3  LYS  13           HZ3      LYS  13   0.694   6.139   4.287
  106    H    HIS  14           H        HIS  14   3.868   1.540   0.560
  107    HA   HIS  14           HA       HIS  14   5.498   0.872  -0.966
  108    HB2  HIS  14           HB2      HIS  14   6.103   3.235  -0.173
  109    HB3  HIS  14           HB3      HIS  14   7.432   2.515   0.728
  110    HD2  HIS  14           HD2      HIS  14   8.574   4.332  -1.110
  111    HE1  HIS  14           HE2      HIS  14   8.712   1.590  -4.243
  112    HE2  HIS  14           HE3      HIS  14   9.687   3.855  -3.501
  113    H    LEU  15           H        LEU  15   4.866  -1.256   0.687
  114    HA   LEU  15           HA       LEU  15   5.640  -3.298   1.487
  115    HB2  LEU  15           HB2      LEU  15   7.955  -2.734  -0.400
  116    HB3  LEU  15           HB3      LEU  15   7.950  -4.151   0.608
  117    HG   LEU  15           HG       LEU  15   7.264  -4.675  -1.624
  118   HD11  LEU  15          HD21      LEU  15   5.164  -6.049  -1.060
  119   HD12  LEU  15          HD22      LEU  15   6.215  -6.037   0.372
  120   HD13  LEU  15          HD23      LEU  15   4.788  -4.999   0.304
  121   HD21  LEU  15          HD11      LEU  15   6.159  -2.536  -2.271
  122   HD22  LEU  15          HD12      LEU  15   4.746  -2.943  -1.266
  123   HD23  LEU  15          HD13      LEU  15   5.158  -3.955  -2.667
  124    H    ASN  16           H        ASN  16   5.772  -1.196   3.322
  125    HA   ASN  16           HA       ASN  16   6.774  -0.431   5.264
  126    HB2  ASN  16           HB2      ASN  16   6.260  -2.800   5.716
  127    HB3  ASN  16           HB3      ASN  16   7.939  -3.184   5.384
  128   HD21  ASN  16          HD21      ASN  16   7.026  -1.431   9.007
  129   HD22  ASN  16          HD22      ASN  16   5.822  -1.448   7.623
  130    H    GLU  17           H        GLU  17   8.002   0.554   2.982
  131    HA   GLU  17           HA       GLU  17   9.873   1.630   2.189
  132    HB2  GLU  17           HB3      GLU  17  10.944   1.431   4.971
  133    HB3  GLU  17           HB2      GLU  17  11.660   2.419   3.714
  134    HG2  GLU  17           HG3      GLU  17   9.596   3.801   3.511
  135    HG3  GLU  17           HG2      GLU  17   8.741   2.768   4.649
  136    HE2  GLU  17           HE2      GLU  17  11.225   5.008   4.204
  137    H    HIS  18           H        HIS  18   9.702  -1.106   1.555
  138    HA   HIS  18           HA       HIS  18  12.582  -1.888   1.202
  139    HB2  HIS  18           HB2      HIS  18  10.225  -3.767   1.343
  140    HB3  HIS  18           HB3      HIS  18  11.883  -4.232   1.113
  141    HD2  HIS  18           HD2      HIS  18  10.523  -5.718   3.171
  142    HE1  HIS  18           HE2      HIS  18  12.118  -3.298   6.160
  143    HE2  HIS  18           HE3      HIS  18  10.976  -5.577   5.804
  144    H    ALA  19           H        ALA  19  10.342  -3.403  -0.409
  145    HA   ALA  19           HA       ALA  19   9.628  -3.649  -2.711
  146    HB1  ALA  19           HB1      ALA  19   9.213  -1.671  -4.122
  147    HB2  ALA  19           HB2      ALA  19  10.120  -0.633  -2.998
  148    HB3  ALA  19           HB3      ALA  19   8.613  -1.423  -2.471
  149    H    HIS  20           H        HIS  20  11.175  -5.055  -3.386
  150    HA   HIS  20           HA       HIS  20  13.805  -4.274  -4.345
  151    HB2  HIS  20           HB3      HIS  20  13.143  -6.523  -3.309
  152    HB3  HIS  20           HB2      HIS  20  12.397  -6.955  -4.834
  153    HD2  HIS  20           HD2      HIS  20  14.347  -8.917  -4.290
  154    HE1  HIS  20           HE2      HIS  20  17.499  -6.751  -5.940
  155    HE2  HIS  20           HE3      HIS  20  16.856  -9.130  -5.196
  156    HC   HIS  20           HC       HIS  20  13.245  -3.820  -6.725
  Start of MODEL    6
    1    H1   SER   1           H        SER   1 -13.658  -2.688   2.330
    2    HA   SER   1           HA       SER   1 -10.671  -2.903   2.959
    3    HB2  SER   1           HB2      SER   1 -12.398  -4.032   4.512
    4    HB3  SER   1           HB3      SER   1 -12.787  -5.125   3.170
    5    HG   SER   1           HG       SER   1 -11.181  -5.926   4.553
    6    H    ASP   2           H        ASP   2 -11.598  -2.139   0.386
    7    HA   ASP   2           HA       ASP   2 -10.042  -4.029  -1.227
    8    HB2  ASP   2           HB2      ASP   2 -12.563  -5.005  -1.261
    9    HB3  ASP   2           HB3      ASP   2 -12.963  -3.591  -2.200
   10    HD2  ASP   2           HD2      ASP   2 -10.779  -6.642  -3.743
   11    H    THR   3           H        THR   3  -9.050  -1.791  -0.775
   12    HA   THR   3           HA       THR   3  -9.093  -0.232  -3.271
   13    HB   THR   3           HB       THR   3 -10.692   0.661  -1.461
   14    HG1  THR   3           HG1      THR   3  -8.663   2.289  -2.595
   15   HG21  THR   3          HG21      THR   3  -9.844   2.290   0.142
   16   HG22  THR   3          HG22      THR   3  -9.139   0.688   0.523
   17   HG23  THR   3          HG23      THR   3  -8.178   1.935  -0.279
   18    H    ARG   4           H        ARG   4  -7.360  -1.999  -3.222
   19    HA   ARG   4           HA       ARG   4  -4.963  -1.629  -1.736
   20    HB2  ARG   4           HB3      ARG   4  -4.955  -2.451  -4.747
   21    HB3  ARG   4           HB2      ARG   4  -3.684  -2.814  -3.611
   22    HG2  ARG   4           HG2      ARG   4  -6.519  -4.005  -3.621
   23    HG3  ARG   4           HG3      ARG   4  -5.042  -4.789  -4.150
   24    HD2  ARG   4           HD3      ARG   4  -4.142  -4.769  -1.789
   25    HD3  ARG   4           HD2      ARG   4  -5.613  -3.941  -1.233
   26   HH11  ARG   4          HH11      ARG   4  -6.685  -8.298   0.201
   27   HH12  ARG   4          HH12      ARG   4  -7.009  -8.103  -1.595
   28   HH21  ARG   4          HH21      ARG   4  -5.624  -6.826   1.289
   29   HH22  ARG   4          HH22      ARG   4  -4.999  -5.312   0.461
   30    H    TYR   5           H        TYR   5  -5.904   0.381  -4.298
   31    HA   TYR   5           HA       TYR   5  -3.285   1.815  -4.188
   32    HB2  TYR   5           HB3      TYR   5  -4.575   1.266  -6.438
   33    HB3  TYR   5           HB2      TYR   5  -5.639   2.577  -6.015
   34    HD1  TYR   5           HD1      TYR   5  -4.913   4.888  -6.526
   35    HD2  TYR   5           HD2      TYR   5  -2.060   1.674  -6.776
   36    HE1  TYR   5           HE1      TYR   5  -3.301   6.392  -7.609
   37    HE2  TYR   5           HE2      TYR   5  -0.460   3.189  -7.861
   38    HH   TYR   5           HH       TYR   5  -0.069   5.249  -8.589
   39    H    ASN   6           H        ASN   6  -5.538   1.881  -2.179
   40    HA   ASN   6           HA       ASN   6  -4.854   4.476  -0.968
   41    HB2  ASN   6           HB2      ASN   6  -6.834   4.602  -2.602
   42    HB3  ASN   6           HB3      ASN   6  -7.672   3.685  -1.409
   43   HD21  ASN   6          HD21      ASN   6  -6.963   7.709  -0.678
   44   HD22  ASN   6          HD22      ASN   6  -5.974   6.771  -1.907
   45    H    LYS   7           H        LYS   7  -5.605   1.128  -0.254
   46    HA   LYS   7           HA       LYS   7  -6.804   0.955   2.077
   47    HB2  LYS   7           HB2      LYS   7  -4.177  -0.345   1.154
   48    HB3  LYS   7           HB3      LYS   7  -4.790  -0.789   2.714
   49    HG2  LYS   7           HG3      LYS   7  -6.097  -1.278   0.027
   50    HG3  LYS   7           HG2      LYS   7  -5.419  -2.472   1.087
   51    HD2  LYS   7           HD2      LYS   7  -7.948  -0.807   1.641
   52    HD3  LYS   7           HD3      LYS   7  -7.955  -2.386   0.916
   53    HE2  LYS   7           HE3      LYS   7  -6.889  -1.814   3.775
   54    HE3  LYS   7           HE2      LYS   7  -8.539  -2.312   3.414
   55    HZ2  LYS   7           HZ2      LYS   7  -7.712  -4.361   2.479
   56    HZ3  LYS   7           HZ3      LYS   7  -7.222  -4.187   4.029
   57    H    SER   8           H        SER   8  -3.551   1.458   2.111
   58    HA   SER   8           HA       SER   8  -3.556   3.303   4.536
   59    HB2  SER   8           HB2      SER   8  -2.889   0.919   4.995
   60    HB3  SER   8           HB3      SER   8  -1.479   1.211   3.994
   61    HG   SER   8           HG       SER   8  -2.194   2.715   6.283
   62    H    PHE   9           H        PHE   9  -3.700   4.898   2.391
   63    HA   PHE   9           HA       PHE   9  -2.982   5.812   0.382
   64    HB2  PHE   9           HB3      PHE   9  -1.033   6.181   2.580
   65    HB3  PHE   9           HB2      PHE   9  -0.571   6.881   1.043
   66    HD1  PHE   9           HD1      PHE   9  -2.769   7.222   3.989
   67    HD2  PHE   9           HD2      PHE   9  -2.023   8.712   0.016
   68    HE1  PHE   9           HE1      PHE   9  -4.150   9.198   4.457
   69    HE2  PHE   9           HE2      PHE   9  -3.410  10.679   0.507
   70    HZ   PHE   9           HZ       PHE   9  -4.476  10.929   2.723
   71    H    ILE  10           H        ILE  10  -2.987   3.277  -0.364
   72    HA   ILE  10           HA       ILE  10  -2.255   1.949  -1.996
   73    HB   ILE  10           HB       ILE  10   0.275   3.472  -2.361
   74   HG12  ILE  10          HG13      ILE  10  -2.118   3.716  -4.226
   75   HG13  ILE  10          HG12      ILE  10  -2.086   4.682  -2.762
   76   HG21  ILE  10          HG21      ILE  10  -1.073   1.435  -4.246
   77   HG22  ILE  10          HG22      ILE  10   0.351   2.417  -4.660
   78   HG23  ILE  10          HG23      ILE  10   0.460   1.204  -3.381
   79   HD11  ILE  10          HD11      ILE  10   0.101   5.746  -3.485
   80   HD12  ILE  10          HD12      ILE  10  -1.199   5.995  -4.677
   81   HD13  ILE  10          HD13      ILE  10   0.065   4.785  -4.989
   82    H    ASN  11           H        ASN  11  -2.202   0.294   0.029
   83    HA   ASN  11           HA       ASN  11  -1.086  -1.043   1.626
   84    HB2  ASN  11           HB2      ASN  11  -1.328  -2.177  -0.354
   85    HB3  ASN  11           HB3      ASN  11   0.024  -1.374  -1.072
   86   HD21  ASN  11          HD21      ASN  11   0.816  -4.524   1.542
   87   HD22  ASN  11          HD22      ASN  11  -0.579  -3.377   1.869
   88    H    ASN  12           H        ASN  12  -0.343   1.293   2.629
   89    HA   ASN  12           HA       ASN  12   1.180   2.436   3.854
   90    HB2  ASN  12           HB2      ASN  12   1.231   0.170   4.829
   91    HB3  ASN  12           HB3      ASN  12   2.741  -0.094   3.973
   92   HD21  ASN  12          HD21      ASN  12   2.779   2.283   7.350
   93   HD22  ASN  12          HD22      ASN  12   1.210   1.820   6.520
   94    H    LYS  13           H        LYS  13   1.339   3.254   1.235
   95    HA   LYS  13           HA       LYS  13   2.734   4.341  -0.308
   96    HB2  LYS  13           HB3      LYS  13   4.687   4.581   2.025
   97    HB3  LYS  13           HB2      LYS  13   4.842   5.419   0.500
   98    HG2  LYS  13           HG2      LYS  13   2.534   5.797   2.498
   99    HG3  LYS  13           HG3      LYS  13   3.931   6.838   2.360
  100    HD2  LYS  13           HD3      LYS  13   1.813   6.440   0.152
  101    HD3  LYS  13           HD2      LYS  13   1.851   7.759   1.310
  102    HE2  LYS  13           HE2      LYS  13   4.098   8.525   0.390
  103    HE3  LYS  13           HE3      LYS  13   4.044   7.224  -0.808
  104    HZ2  LYS  13           HZ2      LYS  13   2.019   9.377  -0.547
  105    HZ3  LYS  13           HZ3      LYS  13   1.970   8.172  -1.650
  106    H    HIS  14           H        HIS  14   2.602   1.673  -0.755
  107    HA   HIS  14           HA       HIS  14   3.615  -0.248  -1.580
  108    HB2  HIS  14           HB2      HIS  14   4.082   1.606  -3.260
  109    HB3  HIS  14           HB3      HIS  14   5.745   1.643  -2.681
  110    HD2  HIS  14           HD2      HIS  14   5.843   1.027  -5.438
  111    HE1  HIS  14           HE2      HIS  14   5.432  -3.077  -4.845
  112    HE2  HIS  14           HE3      HIS  14   6.173  -1.359  -6.615
  113    H    LEU  15           H        LEU  15   3.961  -0.136   1.162
  114    HA   LEU  15           HA       LEU  15   5.321  -0.862   2.914
  115    HB2  LEU  15           HB2      LEU  15   6.599  -2.495   0.700
  116    HB3  LEU  15           HB3      LEU  15   7.243  -2.547   2.313
  117    HG   LEU  15           HG       LEU  15   5.859  -4.445   1.885
  118   HD11  LEU  15          HD11      LEU  15   5.908  -3.452   4.326
  119   HD12  LEU  15          HD12      LEU  15   4.401  -2.597   3.985
  120   HD13  LEU  15          HD13      LEU  15   4.413  -4.358   4.009
  121   HD21  LEU  15          HD21      LEU  15   4.227  -3.462   0.271
  122   HD22  LEU  15          HD22      LEU  15   3.405  -2.614   1.603
  123   HD23  LEU  15          HD23      LEU  15   3.424  -4.391   1.562
  124    H    ASN  16           H        ASN  16   5.790   1.766   2.080
  125    HA   ASN  16           HA       ASN  16   7.292   3.521   2.133
  126    HB2  ASN  16           HB3      ASN  16   7.338   2.591   4.421
  127    HB3  ASN  16           HB2      ASN  16   8.851   1.800   4.014
  128   HD21  ASN  16          HD21      ASN  16   8.899   5.857   4.763
  129   HD22  ASN  16          HD22      ASN  16   7.328   4.940   4.520
  130    H    GLU  17           H        GLU  17   7.438   2.118  -0.227
  131    HA   GLU  17           HA       GLU  17   8.700   1.759  -2.101
  132    HB2  GLU  17           HB3      GLU  17  10.778   3.489  -0.829
  133    HB3  GLU  17           HB2      GLU  17  10.823   2.980  -2.505
  134    HG2  GLU  17           HG3      GLU  17   8.683   4.152  -3.007
  135    HG3  GLU  17           HG2      GLU  17   8.464   4.570  -1.313
  136    HE2  GLU  17           HE2      GLU  17  11.019   6.613  -3.701
  137    H    HIS  18           H        HIS  18   8.695  -0.342  -0.210
  138    HA   HIS  18           HA       HIS  18  11.178  -1.817  -0.995
  139    HB2  HIS  18           HB3      HIS  18  10.935  -1.065   1.437
  140    HB3  HIS  18           HB2      HIS  18   9.647  -2.238   1.581
  141    HD2  HIS  18           HD2      HIS  18  11.654  -2.960   3.442
  142    HE1  HIS  18           HE2      HIS  18  13.488  -5.537   0.728
  143    HE2  HIS  18           HE3      HIS  18  13.330  -5.041   3.250
  144    H    ALA  19           H        ALA  19   8.926  -3.444   0.438
  145    HA   ALA  19           HA       ALA  19   7.371  -5.227  -0.093
  146    HB1  ALA  19           HB1      ALA  19   6.082  -3.587  -1.424
  147    HB2  ALA  19           HB2      ALA  19   7.041  -3.968  -2.874
  148    HB3  ALA  19           HB3      ALA  19   6.008  -5.212  -2.135
  149    H    HIS  20           H        HIS  20   9.128  -6.636   0.235
  150    HA   HIS  20           HA       HIS  20  10.732  -7.669  -1.969
  151    HB2  HIS  20           HB3      HIS  20  11.434  -7.498   0.487
  152    HB3  HIS  20           HB2      HIS  20  10.426  -8.890   0.827
  153    HD2  HIS  20           HD2      HIS  20  13.046  -9.560   1.626
  154    HE1  HIS  20           HE2      HIS  20  14.256 -10.816  -2.157
  155    HE2  HIS  20           HE3      HIS  20  14.923 -10.955   0.326
  156    HC   HIS  20           HC       HIS  20   9.219  -9.508  -2.687
  Start of MODEL    7
    1    H1   SER   1           H        SER   1 -13.063  -3.561  -3.276
    2    HA   SER   1           HA       SER   1 -13.705  -1.276  -1.338
    3    HB2  SER   1           HB2      SER   1 -15.625  -2.387  -2.694
    4    HB3  SER   1           HB3      SER   1 -15.335  -3.863  -1.757
    5    HG   SER   1           HG       SER   1 -15.649  -2.602   0.136
    6    H    ASP   2           H        ASP   2 -11.260  -2.697  -1.201
    7    HA   ASP   2           HA       ASP   2 -11.207  -3.342   1.613
    8    HB2  ASP   2           HB3      ASP   2 -12.063  -5.664   0.521
    9    HB3  ASP   2           HB2      ASP   2 -10.465  -5.796  -0.151
   10    HD2  ASP   2           HD2      ASP   2 -12.366  -5.793   2.592
   11    H    THR   3           H        THR   3  -9.932  -1.465   1.015
   12    HA   THR   3           HA       THR   3  -7.062  -2.185   0.527
   13    HB   THR   3           HB       THR   3  -8.397  -0.896  -1.322
   14    HG1  THR   3           HG1      THR   3  -5.945   0.065  -0.329
   15   HG21  THR   3          HG21      THR   3  -8.400   1.521  -1.267
   16   HG22  THR   3          HG22      THR   3  -7.593   1.590   0.304
   17   HG23  THR   3          HG23      THR   3  -9.270   0.999   0.213
   18    H    ARG   4           H        ARG   4  -8.170  -2.248   3.121
   19    HA   ARG   4           HA       ARG   4  -7.477   0.250   4.422
   20    HB2  ARG   4           HB2      ARG   4  -8.083  -2.540   5.739
   21    HB3  ARG   4           HB3      ARG   4  -7.793  -1.093   6.664
   22    HG2  ARG   4           HG3      ARG   4 -10.063  -1.104   6.710
   23    HG3  ARG   4           HG2      ARG   4  -9.785   0.022   5.390
   24    HD2  ARG   4           HD3      ARG   4 -10.282  -1.880   3.726
   25    HD3  ARG   4           HD2      ARG   4 -10.524  -2.976   5.097
   26   HH11  ARG   4          HH11      ARG   4 -13.899  -3.756   3.563
   27   HH12  ARG   4          HH12      ARG   4 -12.074  -3.743   3.756
   28   HH21  ARG   4          HH21      ARG   4 -14.301  -0.665   5.023
   29   HH22  ARG   4          HH22      ARG   4 -15.072  -2.130   4.233
   30    H    TYR   5           H        TYR   5  -5.314  -2.216   3.580
   31    HA   TYR   5           HA       TYR   5  -3.319  -1.404   5.691
   32    HB2  TYR   5           HB3      TYR   5  -3.542  -3.852   5.174
   33    HB3  TYR   5           HB2      TYR   5  -3.201  -3.568   3.492
   34    HD1  TYR   5           HD1      TYR   5  -1.579  -3.000   6.901
   35    HD2  TYR   5           HD2      TYR   5  -0.948  -3.753   2.710
   36    HE1  TYR   5           HE1      TYR   5   0.849  -3.112   7.275
   37    HE2  TYR   5           HE2      TYR   5   1.470  -3.863   3.099
   38    HH   TYR   5           HH       TYR   5   2.851  -3.343   6.340
   39    H    ASN   6           H        ASN   6  -4.312   0.504   4.224
   40    HA   ASN   6           HA       ASN   6  -4.408   2.082   2.842
   41    HB2  ASN   6           HB2      ASN   6  -3.010   2.867   4.720
   42    HB3  ASN   6           HB3      ASN   6  -1.671   2.502   3.679
   43   HD21  ASN   6          HD21      ASN   6  -4.043   5.783   2.639
   44   HD22  ASN   6          HD22      ASN   6  -4.752   4.096   2.780
   45    H    LYS   7           H        LYS   7  -4.260  -0.091   1.208
   46    HA   LYS   7           HA       LYS   7  -2.327   0.671  -0.806
   47    HB2  LYS   7           HB2      LYS   7  -4.314  -0.346  -2.582
   48    HB3  LYS   7           HB3      LYS   7  -2.635  -0.423  -2.509
   49    HG2  LYS   7           HG3      LYS   7  -4.564  -2.159  -0.761
   50    HG3  LYS   7           HG2      LYS   7  -3.764  -2.721  -2.213
   51    HD2  LYS   7           HD2      LYS   7  -2.339  -1.927   0.409
   52    HD3  LYS   7           HD3      LYS   7  -2.753  -3.563  -0.077
   53    HE2  LYS   7           HE3      LYS   7  -1.234  -3.355  -2.116
   54    HE3  LYS   7           HE2      LYS   7  -0.786  -1.721  -1.603
   55    HZ2  LYS   7           HZ2      LYS   7   0.808  -3.315  -0.845
   56    HZ3  LYS   7           HZ3      LYS   7   0.074  -2.634   0.448
   57    H    SER   8           H        SER   8  -5.003   2.428   0.160
   58    HA   SER   8           HA       SER   8  -5.380   4.029  -2.212
   59    HB2  SER   8           HB2      SER   8  -6.932   4.321  -0.306
   60    HB3  SER   8           HB3      SER   8  -5.586   4.998   0.629
   61    HG   SER   8           HG       SER   8  -6.883   6.591  -0.341
   62    H    PHE   9           H        PHE   9  -3.437   5.462   0.480
   63    HA   PHE   9           HA       PHE   9  -1.496   6.642   0.434
   64    HB2  PHE   9           HB3      PHE   9  -1.044   4.262   1.166
   65    HB3  PHE   9           HB2      PHE   9   0.110   4.266  -0.119
   66    HD1  PHE   9           HD1      PHE   9   0.531   7.608   0.847
   67    HD2  PHE   9           HD2      PHE   9   0.951   3.653   2.527
   68    HE1  PHE   9           HE1      PHE   9   2.023   8.481   2.574
   69    HE2  PHE   9           HE2      PHE   9   2.453   4.555   4.227
   70    HZ   PHE   9           HZ       PHE   9   2.984   6.967   4.274
   71    H    ILE  10           H        ILE  10  -1.516   4.740  -2.306
   72    HA   ILE  10           HA       ILE  10  -1.207   4.637  -4.303
   73    HB   ILE  10           HB       ILE  10   1.222   6.391  -4.105
   74   HG12  ILE  10          HG12      ILE  10  -1.234   6.783  -5.933
   75   HG13  ILE  10          HG13      ILE  10  -1.352   7.097  -4.201
   76   HG21  ILE  10          HG21      ILE  10   1.905   4.740  -5.846
   77   HG22  ILE  10          HG22      ILE  10   1.569   6.297  -6.621
   78   HG23  ILE  10          HG23      ILE  10   0.373   4.980  -6.721
   79   HD11  ILE  10          HD11      ILE  10  -0.867   9.211  -5.444
   80   HD12  ILE  10          HD12      ILE  10   0.504   8.829  -4.375
   81   HD13  ILE  10          HD13      ILE  10   0.624   8.523  -6.129
   82    H    ASN  11           H        ASN  11  -1.039   2.307  -4.668
   83    HA   ASN  11           HA       ASN  11  -0.916   0.356  -3.572
   84    HB2  ASN  11           HB3      ASN  11   0.083   0.604  -5.771
   85    HB3  ASN  11           HB2      ASN  11   1.565   1.134  -5.033
   86   HD21  ASN  11          HD21      ASN  11   0.687  -2.933  -4.892
   87   HD22  ASN  11          HD22      ASN  11  -0.660  -1.689  -4.818
   88    H    ASN  12           H        ASN  12  -0.721   2.172  -1.333
   89    HA   ASN  12           HA       ASN  12   0.351   2.256   0.856
   90    HB2  ASN  12           HB2      ASN  12  -0.582   0.072   0.817
   91    HB3  ASN  12           HB3      ASN  12   0.945  -0.587   0.272
   92   HD21  ASN  12          HD21      ASN  12   0.897   0.618   4.241
   93   HD22  ASN  12          HD22      ASN  12  -0.157   1.486   3.015
   94    H    LYS  13           H        LYS  13   1.799   3.697  -0.946
   95    HA   LYS  13           HA       LYS  13   3.891   4.581  -1.453
   96    HB2  LYS  13           HB3      LYS  13   4.220   3.716   1.416
   97    HB3  LYS  13           HB2      LYS  13   5.715   3.981   0.583
   98    HG2  LYS  13           HG2      LYS  13   3.430   6.016   0.609
   99    HG3  LYS  13           HG3      LYS  13   4.718   5.987   1.799
  100    HD2  LYS  13           HD2      LYS  13   4.981   6.570  -1.212
  101    HD3  LYS  13           HD3      LYS  13   5.107   7.733   0.082
  102    HE2  LYS  13           HE2      LYS  13   7.130   5.453  -0.467
  103    HE3  LYS  13           HE3      LYS  13   7.314   7.131  -0.952
  104    HZ2  LYS  13           HZ2      LYS  13   7.342   7.790   1.358
  105    HZ3  LYS  13           HZ3      LYS  13   8.524   6.705   1.045
  106    H    HIS  14           H        HIS  14   3.274   2.375  -2.938
  107    HA   HIS  14           HA       HIS  14   4.099   0.502  -4.081
  108    HB2  HIS  14           HB2      HIS  14   5.437   2.541  -4.844
  109    HB3  HIS  14           HB3      HIS  14   6.799   1.913  -3.924
  110    HD2  HIS  14           HD2      HIS  14   7.617   2.085  -6.631
  111    HE1  HIS  14           HE2      HIS  14   6.168  -1.692  -7.631
  112    HE2  HIS  14           HE3      HIS  14   7.765   0.144  -8.474
  113    H    LEU  15           H        LEU  15   3.588  -0.265  -1.475
  114    HA   LEU  15           HA       LEU  15   4.075  -1.873   0.093
  115    HB2  LEU  15           HB2      LEU  15   5.814  -3.032  -2.126
  116    HB3  LEU  15           HB3      LEU  15   5.814  -3.741  -0.540
  117    HG   LEU  15           HG       LEU  15   4.396  -4.956  -2.061
  118   HD11  LEU  15          HD21      LEU  15   2.686  -3.563   0.193
  119   HD12  LEU  15          HD22      LEU  15   2.334  -5.142  -0.507
  120   HD13  LEU  15          HD23      LEU  15   3.793  -4.905   0.481
  121   HD21  LEU  15          HD11      LEU  15   3.568  -3.132  -3.522
  122   HD22  LEU  15          HD12      LEU  15   2.233  -4.144  -2.924
  123   HD23  LEU  15          HD13      LEU  15   2.502  -2.531  -2.227
  124    H    ASN  16           H        ASN  16   5.106   0.631   0.643
  125    HA   ASN  16           HA       ASN  16   6.722   1.784   1.794
  126    HB2  ASN  16           HB2      ASN  16   5.876   0.103   3.407
  127    HB3  ASN  16           HB3      ASN  16   7.294  -0.867   3.061
  128   HD21  ASN  16          HD21      ASN  16   7.748   2.446   5.481
  129   HD22  ASN  16          HD22      ASN  16   6.255   2.227   4.437
  130    H    GLU  17           H        GLU  17   7.436   1.155  -0.835
  131    HA   GLU  17           HA       GLU  17   9.200   1.160  -2.326
  132    HB2  GLU  17           HB2      GLU  17  10.871   2.083  -0.026
  133    HB3  GLU  17           HB3      GLU  17  11.414   2.080  -1.694
  134    HG2  GLU  17           HG3      GLU  17   9.627   3.684  -2.364
  135    HG3  GLU  17           HG2      GLU  17   8.897   3.613  -0.766
  136    HE2  GLU  17           HE2      GLU  17  11.598   4.555  -2.572
  137    H    HIS  18           H        HIS  18   8.388  -1.312  -1.732
  138    HA   HIS  18           HA       HIS  18   8.900  -3.531  -1.760
  139    HB2  HIS  18           HB3      HIS  18  10.141  -2.622  -3.727
  140    HB3  HIS  18           HB2      HIS  18  11.655  -2.763  -2.837
  141    HD2  HIS  18           HD2      HIS  18  11.892  -4.354  -5.170
  142    HE1  HIS  18           HE2      HIS  18  10.248  -7.742  -3.386
  143    HE2  HIS  18           HE3      HIS  18  11.650  -7.012  -5.419
  144    H    ALA  19           H        ALA  19   8.611  -3.309   0.531
  145    HA   ALA  19           HA       ALA  19  10.619  -4.710   2.130
  146    HB1  ALA  19           HB1      ALA  19  11.601  -2.426   2.368
  147    HB2  ALA  19           HB2      ALA  19  10.034  -1.806   2.946
  148    HB3  ALA  19           HB3      ALA  19  10.932  -3.006   3.906
  149    H    HIS  20           H        HIS  20   8.789  -3.139   4.054
  150    HA   HIS  20           HA       HIS  20   6.928  -5.229   4.684
  151    HB2  HIS  20           HB2      HIS  20   7.763  -3.384   6.265
  152    HB3  HIS  20           HB3      HIS  20   6.562  -2.315   5.568
  153    HD2  HIS  20           HD2      HIS  20   6.000  -2.404   8.314
  154    HE1  HIS  20           HE2      HIS  20   3.777  -5.923   8.146
  155    HE2  HIS  20           HE3      HIS  20   4.238  -3.898   9.668
  156    HC   HIS  20           HC       HIS  20   4.984  -4.771   3.202
  Start of MODEL    8
    1    H1   SER   1           H        SER   1 -13.130  -1.782   2.436
    2    HA   SER   1           HA       SER   1 -15.941  -0.984   1.501
    3    HB2  SER   1           HB2      SER   1 -15.204  -0.452   3.920
    4    HB3  SER   1           HB3      SER   1 -14.006   0.667   3.246
    5    HG   SER   1           HG       SER   1 -15.738   1.713   2.164
    6    H    ASP   2           H        ASP   2 -13.929  -1.663  -0.334
    7    HA   ASP   2           HA       ASP   2 -13.038  -1.048  -2.380
    8    HB2  ASP   2           HB3      ASP   2 -15.499  -0.107  -2.638
    9    HB3  ASP   2           HB2      ASP   2 -14.861   1.406  -2.090
   10    HD2  ASP   2           HD2      ASP   2 -14.066  -0.037  -5.819
   11    H    THR   3           H        THR   3 -11.232  -0.828  -0.733
   12    HA   THR   3           HA       THR   3  -9.693   1.638  -1.434
   13    HB   THR   3           HB       THR   3 -10.662   1.489   0.925
   14    HG1  THR   3           HG1      THR   3  -7.865   1.712   0.602
   15   HG21  THR   3          HG21      THR   3 -10.038  -0.920   1.471
   16   HG22  THR   3          HG22      THR   3  -9.469   0.285   2.668
   17   HG23  THR   3          HG23      THR   3  -8.326  -0.426   1.514
   18    H    ARG   4           H        ARG   4  -9.541  -0.696  -3.020
   19    HA   ARG   4           HA       ARG   4  -7.150  -2.135  -2.256
   20    HB2  ARG   4           HB3      ARG   4  -8.321  -2.070  -5.165
   21    HB3  ARG   4           HB2      ARG   4  -7.321  -3.339  -4.510
   22    HG2  ARG   4           HG2      ARG   4 -10.243  -2.719  -3.789
   23    HG3  ARG   4           HG3      ARG   4  -9.650  -4.062  -4.750
   24    HD2  ARG   4           HD3      ARG   4  -8.531  -5.069  -2.754
   25    HD3  ARG   4           HD2      ARG   4  -8.977  -3.699  -1.748
   26   HH11  ARG   4          HH11      ARG   4 -12.231  -3.169  -0.164
   27   HH12  ARG   4          HH12      ARG   4 -10.586  -2.853  -0.914
   28   HH21  ARG   4          HH21      ARG   4 -12.691  -6.128  -1.858
   29   HH22  ARG   4          HH22      ARG   4 -13.338  -4.895  -0.663
   30    H    TYR   5           H        TYR   5  -7.207   0.871  -3.726
   31    HA   TYR   5           HA       TYR   5  -4.494   0.505  -4.988
   32    HB2  TYR   5           HB2      TYR   5  -6.364   1.712  -6.319
   33    HB3  TYR   5           HB3      TYR   5  -6.303   2.995  -5.143
   34    HD1  TYR   5           HD1      TYR   5  -4.192   1.123  -7.663
   35    HD2  TYR   5           HD2      TYR   5  -4.617   4.757  -5.396
   36    HE1  TYR   5           HE1      TYR   5  -2.382   2.156  -8.964
   37    HE2  TYR   5           HE2      TYR   5  -2.806   5.775  -6.703
   38    HH   TYR   5           HH       TYR   5  -1.144   3.970  -9.290
   39    H    ASN   6           H        ASN   6  -4.786   0.027  -2.244
   40    HA   ASN   6           HA       ASN   6  -4.828   0.246  -0.498
   41    HB2  ASN   6           HB2      ASN   6  -2.099   0.693  -0.352
   42    HB3  ASN   6           HB3      ASN   6  -3.141  -0.320   0.489
   43   HD21  ASN   6          HD21      ASN   6  -2.780  -3.083  -1.845
   44   HD22  ASN   6          HD22      ASN   6  -3.778  -2.352  -0.489
   45    H    LYS   7           H        LYS   7  -6.071   2.460  -0.631
   46    HA   LYS   7           HA       LYS   7  -4.813   4.381   1.070
   47    HB2  LYS   7           HB3      LYS   7  -7.566   4.099   1.997
   48    HB3  LYS   7           HB2      LYS   7  -6.461   5.458   1.913
   49    HG2  LYS   7           HG3      LYS   7  -7.859   4.179  -0.525
   50    HG3  LYS   7           HG2      LYS   7  -8.380   5.648   0.269
   51    HD2  LYS   7           HD3      LYS   7  -5.683   5.288  -1.195
   52    HD3  LYS   7           HD2      LYS   7  -7.132   6.003  -1.885
   53    HE2  LYS   7           HE3      LYS   7  -7.069   7.858  -0.142
   54    HE3  LYS   7           HE2      LYS   7  -5.585   7.167   0.530
   55    HZ2  LYS   7           HZ2      LYS   7  -5.142   8.939  -1.029
   56    HZ3  LYS   7           HZ3      LYS   7  -5.927   8.170  -2.239
   57    H    SER   8           H        SER   8  -5.531   1.019   1.728
   58    HA   SER   8           HA       SER   8  -5.217   0.858   4.591
   59    HB2  SER   8           HB2      SER   8  -6.598  -0.763   3.430
   60    HB3  SER   8           HB3      SER   8  -5.166  -1.266   2.510
   61    HG   SER   8           HG       SER   8  -5.579  -2.580   4.313
   62    H    PHE   9           H        PHE   9  -3.102   1.892   5.142
   63    HA   PHE   9           HA       PHE   9  -1.298   2.303   5.274
   64    HB2  PHE   9           HB3      PHE   9  -1.162  -0.405   5.058
   65    HB3  PHE   9           HB2      PHE   9   0.308   0.109   4.248
   66    HD1  PHE   9           HD1      PHE   9   0.580   2.629   6.478
   67    HD2  PHE   9           HD2      PHE   9   0.197  -1.664   6.627
   68    HE1  PHE   9           HE1      PHE   9   1.662   2.596   8.671
   69    HE2  PHE   9           HE2      PHE   9   1.306  -1.668   8.814
   70    HZ   PHE   9           HZ       PHE   9   2.035   0.455   9.846
   71    H    ILE  10           H        ILE  10  -2.229   3.289   2.884
   72    HA   ILE  10           HA       ILE  10  -1.686   4.906   1.399
   73    HB   ILE  10           HB       ILE  10   0.859   5.306   2.903
   74   HG12  ILE  10          HG12      ILE  10  -1.671   7.069   2.946
   75   HG13  ILE  10          HG13      ILE  10  -1.431   5.738   4.076
   76   HG21  ILE  10          HG21      ILE  10   1.151   6.222   0.581
   77   HG22  ILE  10          HG22      ILE  10  -0.358   7.148   0.739
   78   HG23  ILE  10          HG23      ILE  10   1.056   7.546   1.744
   79   HD11  ILE  10          HD11      ILE  10   0.404   8.211   3.887
   80   HD12  ILE  10          HD12      ILE  10   0.672   6.818   4.969
   81   HD13  ILE  10          HD13      ILE  10  -0.773   7.837   5.165
   82    H    ASN  11           H        ASN  11  -1.472   3.386  -0.587
   83    HA   ASN  11           HA       ASN  11  -0.888   1.587  -1.772
   84    HB2  ASN  11           HB2      ASN  11  -0.109   3.603  -2.695
   85    HB3  ASN  11           HB3      ASN  11   1.312   3.546  -1.723
   86   HD21  ASN  11          HD21      ASN  11   1.068   1.130  -5.114
   87   HD22  ASN  11          HD22      ASN  11  -0.432   1.563  -4.150
   88    H    ASN  12           H        ASN  12  -0.831   0.486   1.136
   89    HA   ASN  12           HA       ASN  12   0.356  -1.095   2.358
   90    HB2  ASN  12           HB2      ASN  12  -0.407  -2.253   0.309
   91    HB3  ASN  12           HB3      ASN  12   1.236  -2.128  -0.283
   92   HD21  ASN  12          HD21      ASN  12   0.392  -4.935   2.620
   93   HD22  ASN  12          HD22      ASN  12  -0.792  -3.597   2.204
   94    H    LYS  13           H        LYS  13   1.621   1.294   2.571
   95    HA   LYS  13           HA       LYS  13   3.565   2.274   3.375
   96    HB2  LYS  13           HB2      LYS  13   4.562  -0.607   3.618
   97    HB3  LYS  13           HB3      LYS  13   5.587   0.750   4.009
   98    HG2  LYS  13           HG3      LYS  13   2.855   0.516   5.366
   99    HG3  LYS  13           HG2      LYS  13   4.179  -0.503   5.868
  100    HD2  LYS  13           HD3      LYS  13   4.157   1.336   7.354
  101    HD3  LYS  13           HD2      LYS  13   5.616   1.475   6.383
  102    HE2  LYS  13           HE3      LYS  13   4.617   3.328   5.041
  103    HE3  LYS  13           HE2      LYS  13   3.045   3.111   5.825
  104    HZ2  LYS  13           HZ2      LYS  13   5.563   3.936   7.162
  105    HZ3  LYS  13           HZ3      LYS  13   4.313   4.918   6.778
  106    H    HIS  14           H        HIS  14   2.989   2.549   0.686
  107    HA   HIS  14           HA       HIS  14   3.847   2.670  -1.507
  108    HB2  HIS  14           HB2      HIS  14   5.006   4.448  -0.064
  109    HB3  HIS  14           HB3      HIS  14   6.460   3.462  -0.153
  110    HD2  HIS  14           HD2      HIS  14   7.074   5.974  -1.308
  111    HE1  HIS  14           HE2      HIS  14   5.732   4.908  -5.108
  112    HE2  HIS  14           HE3      HIS  14   7.177   6.664  -3.897
  113    H    LEU  15           H        LEU  15   3.605  -0.021  -0.865
  114    HA   LEU  15           HA       LEU  15   4.304  -2.138  -1.456
  115    HB2  LEU  15           HB2      LEU  15   5.835  -0.650  -3.620
  116    HB3  LEU  15           HB3      LEU  15   6.097  -2.352  -3.384
  117    HG   LEU  15           HG       LEU  15   4.589  -2.019  -5.182
  118   HD11  LEU  15          HD21      LEU  15   2.725  -3.629  -4.484
  119   HD12  LEU  15          HD22      LEU  15   4.194  -4.107  -3.603
  120   HD13  LEU  15          HD23      LEU  15   2.916  -3.204  -2.786
  121   HD21  LEU  15          HD11      LEU  15   2.592  -0.669  -3.268
  122   HD22  LEU  15          HD12      LEU  15   2.303  -1.087  -4.974
  123   HD23  LEU  15          HD13      LEU  15   3.543   0.118  -4.556
  124    H    ASN  16           H        ASN  16   5.243  -1.268   0.971
  125    HA   ASN  16           HA       ASN  16   6.928  -1.417   2.540
  126    HB2  ASN  16           HB3      ASN  16   6.315  -3.765   1.951
  127    HB3  ASN  16           HB2      ASN  16   7.774  -3.824   0.981
  128   HD21  ASN  16          HD21      ASN  16   8.135  -4.009   5.096
  129   HD22  ASN  16          HD22      ASN  16   6.589  -3.423   4.301
  130    H    GLU  17           H        GLU  17   7.452   0.606   0.725
  131    HA   GLU  17           HA       GLU  17   9.080   2.041  -0.031
  132    HB2  GLU  17           HB2      GLU  17  10.974   0.554   1.737
  133    HB3  GLU  17           HB3      GLU  17  11.357   2.069   0.942
  134    HG2  GLU  17           HG2      GLU  17   9.555   3.266   2.161
  135    HG3  GLU  17           HG3      GLU  17   8.966   1.770   2.873
  136    HE2  GLU  17           HE2      GLU  17  11.408   1.559   5.327
  137    H    HIS  18           H        HIS  18   8.311   0.204  -1.879
  138    HA   HIS  18           HA       HIS  18   8.809  -0.839  -3.842
  139    HB2  HIS  18           HB3      HIS  18   9.514   1.569  -4.144
  140    HB3  HIS  18           HB2      HIS  18  11.194   1.067  -4.021
  141    HD2  HIS  18           HD2      HIS  18  10.873   2.313  -6.540
  142    HE1  HIS  18           HE2      HIS  18   9.645  -1.173  -8.464
  143    HE2  HIS  18           HE3      HIS  18  10.547   1.190  -8.950
  144    H    ALA  19           H        ALA  19   9.194  -2.717  -2.452
  145    HA   ALA  19           HA       ALA  19  10.218  -4.753  -2.009
  146    HB1  ALA  19           HB1      ALA  19  11.938  -4.207  -4.494
  147    HB2  ALA  19           HB2      ALA  19  11.689  -5.780  -3.702
  148    HB3  ALA  19           HB3      ALA  19  10.318  -4.947  -4.462
  149    H    HIS  20           H        HIS  20  11.043  -4.240   0.015
  150    HA   HIS  20           HA       HIS  20  13.715  -3.169   0.427
  151    HB2  HIS  20           HB2      HIS  20  11.719  -2.971   2.020
  152    HB3  HIS  20           HB3      HIS  20  12.009  -4.630   2.510
  153    HD2  HIS  20           HD2      HIS  20  12.180  -3.045   4.836
  154    HE1  HIS  20           HE2      HIS  20  16.188  -2.050   4.286
  155    HE2  HIS  20           HE3      HIS  20  14.339  -2.065   6.078
  156    HC   HIS  20           HC       HIS  20  15.012  -5.290   0.371
  Start of MODEL    9
    1    H1   SER   1           H        SER   1 -10.081  -5.359   1.223
    2    HA   SER   1           HA       SER   1  -9.103  -4.275  -1.463
    3    HB2  SER   1           HB3      SER   1  -9.303  -6.818  -1.086
    4    HB3  SER   1           HB2      SER   1 -11.060  -6.598  -0.963
    5    HG   SER   1           HG       SER   1 -10.973  -5.620  -3.038
    6    H    ASP   2           H        ASP   2 -10.538  -2.646   0.396
    7    HA   ASP   2           HA       ASP   2 -12.419  -1.407  -1.427
    8    HB2  ASP   2           HB2      ASP   2 -13.920  -3.347  -0.288
    9    HB3  ASP   2           HB3      ASP   2 -13.788  -2.420   1.180
   10    HD2  ASP   2           HD2      ASP   2 -16.091  -1.188  -1.922
   11    H    THR   3           H        THR   3 -10.394  -0.100  -0.836
   12    HA   THR   3           HA       THR   3 -11.127   1.982   1.098
   13    HB   THR   3           HB       THR   3  -9.592   0.055   2.025
   14    HG1  THR   3           HG1      THR   3 -10.240   1.973   3.016
   15   HG21  THR   3          HG21      THR   3  -7.172   0.629   2.021
   16   HG22  THR   3          HG22      THR   3  -7.750   0.099   0.399
   17   HG23  THR   3          HG23      THR   3  -7.426   1.794   0.730
   18    H    ARG   4           H        ARG   4 -11.849   2.558  -0.981
   19    HA   ARG   4           HA       ARG   4 -10.018   3.548  -2.947
   20    HB2  ARG   4           HB2      ARG   4 -12.025   4.879  -3.968
   21    HB3  ARG   4           HB3      ARG   4 -12.586   3.309  -3.514
   22    HG2  ARG   4           HG3      ARG   4 -13.039   5.866  -1.866
   23    HG3  ARG   4           HG2      ARG   4 -14.112   5.209  -3.084
   24    HD2  ARG   4           HD3      ARG   4 -14.335   3.054  -1.710
   25    HD3  ARG   4           HD2      ARG   4 -13.392   3.826  -0.422
   26   HH11  ARG   4          HH11      ARG   4 -17.829   4.379   1.192
   27   HH12  ARG   4          HH12      ARG   4 -17.296   5.765   0.114
   28   HH21  ARG   4          HH21      ARG   4 -16.704   2.590   1.311
   29   HH22  ARG   4          HH22      ARG   4 -15.163   2.381   0.337
   30    H    TYR   5           H        TYR   5 -11.190   5.267  -0.126
   31    HA   TYR   5           HA       TYR   5  -9.528   7.637  -0.862
   32    HB2  TYR   5           HB2      TYR   5 -11.920   7.859   0.092
   33    HB3  TYR   5           HB3      TYR   5 -11.303   7.292   1.624
   34    HD1  TYR   5           HD1      TYR   5 -10.784  10.004  -0.987
   35    HD2  TYR   5           HD2      TYR   5 -10.492   8.970   3.181
   36    HE1  TYR   5           HE1      TYR   5 -10.273  12.342  -0.435
   37    HE2  TYR   5           HE2      TYR   5  -9.983  11.310   3.718
   38    HH   TYR   5           HH       TYR   5  -9.806  13.801   1.172
   39    H    ASN   6           H        ASN   6  -8.472   5.009  -0.053
   40    HA   ASN   6           HA       ASN   6  -6.159   5.936   1.555
   41    HB2  ASN   6           HB2      ASN   6  -7.911   4.756   2.888
   42    HB3  ASN   6           HB3      ASN   6  -7.491   3.357   1.999
   43   HD21  ASN   6          HD21      ASN   6  -4.674   4.599   4.763
   44   HD22  ASN   6          HD22      ASN   6  -5.717   5.832   3.891
   45    H    LYS   7           H        LYS   7  -7.211   3.553  -0.862
   46    HA   LYS   7           HA       LYS   7  -6.103   2.713  -2.746
   47    HB2  LYS   7           HB2      LYS   7  -3.838   4.624  -2.185
   48    HB3  LYS   7           HB3      LYS   7  -4.058   3.647  -3.625
   49    HG2  LYS   7           HG2      LYS   7  -5.957   5.866  -2.646
   50    HG3  LYS   7           HG3      LYS   7  -4.758   6.052  -3.905
   51    HD2  LYS   7           HD3      LYS   7  -7.235   4.213  -4.049
   52    HD3  LYS   7           HD2      LYS   7  -7.112   5.823  -4.734
   53    HE2  LYS   7           HE3      LYS   7  -5.234   5.047  -6.273
   54    HE3  LYS   7           HE2      LYS   7  -5.378   3.411  -5.613
   55    HZ2  LYS   7           HZ2      LYS   7  -7.651   3.329  -6.396
   56    HZ3  LYS   7           HZ3      LYS   7  -6.619   3.624  -7.630
   57    H    SER   8           H        SER   8  -6.220   0.805  -1.049
   58    HA   SER   8           HA       SER   8  -5.289  -0.814   0.411
   59    HB2  SER   8           HB3      SER   8  -5.279  -1.711  -1.686
   60    HB3  SER   8           HB2      SER   8  -3.906  -0.734  -2.188
   61    HG   SER   8           HG       SER   8  -3.377  -2.920  -1.746
   62    H    PHE   9           H        PHE   9  -4.552   1.353   1.865
   63    HA   PHE   9           HA       PHE   9  -3.058   2.287   3.289
   64    HB2  PHE   9           HB2      PHE   9  -3.300  -0.084   4.013
   65    HB3  PHE   9           HB3      PHE   9  -1.747  -0.383   3.265
   66    HD1  PHE   9           HD1      PHE   9  -2.913   2.498   5.520
   67    HD2  PHE   9           HD2      PHE   9  -0.332  -0.928   5.096
   68    HE1  PHE   9           HE1      PHE   9  -1.923   2.957   7.716
   69    HE2  PHE   9           HE2      PHE   9   0.623  -0.461   7.309
   70    HZ   PHE   9           HZ       PHE   9  -0.162   1.479   8.621
   71    H    ILE  10           H        ILE  10  -2.537   3.210   0.775
   72    HA   ILE  10           HA       ILE  10  -0.981   4.520  -0.372
   73    HB   ILE  10           HB       ILE  10   0.854   4.237   1.934
   74   HG12  ILE  10          HG13      ILE  10  -0.921   6.670   1.263
   75   HG13  ILE  10          HG12      ILE  10  -1.512   5.367   2.286
   76   HG21  ILE  10          HG21      ILE  10   2.139   4.993  -0.093
   77   HG22  ILE  10          HG22      ILE  10   0.934   6.259  -0.405
   78   HG23  ILE  10          HG23      ILE  10   1.975   6.331   1.036
   79   HD11  ILE  10          HD11      ILE  10   0.938   7.118   2.953
   80   HD12  ILE  10          HD12      ILE  10  -0.669   7.181   3.709
   81   HD13  ILE  10          HD13      ILE  10   0.359   5.747   3.936
   82    H    ASN  11           H        ASN  11  -1.164   2.361  -1.876
   83    HA   ASN  11           HA       ASN  11  -0.340   0.350  -2.807
   84    HB2  ASN  11           HB3      ASN  11   0.213   2.183  -4.107
   85    HB3  ASN  11           HB2      ASN  11   1.538   2.610  -3.084
   86   HD21  ASN  11          HD21      ASN  11   2.093  -0.407  -5.894
   87   HD22  ASN  11          HD22      ASN  11   0.442  -0.117  -5.147
   88    H    ASN  12           H        ASN  12  -0.316  -0.459  -0.232
   89    HA   ASN  12           HA       ASN  12   0.703  -1.753   1.389
   90    HB2  ASN  12           HB2      ASN  12   0.665  -3.152  -0.660
   91    HB3  ASN  12           HB3      ASN  12   2.363  -2.771  -0.865
   92   HD21  ASN  12          HD21      ASN  12   1.302  -5.511   2.037
   93   HD22  ASN  12          HD22      ASN  12   0.057  -4.404   1.267
   94    H    LYS  13           H        LYS  13   1.555   0.836   1.715
   95    HA   LYS  13           HA       LYS  13   3.235   2.176   2.660
   96    HB2  LYS  13           HB3      LYS  13   4.384  -0.469   3.638
   97    HB3  LYS  13           HB2      LYS  13   4.972   1.098   4.142
   98    HG2  LYS  13           HG2      LYS  13   2.064   0.190   4.634
   99    HG3  LYS  13           HG3      LYS  13   3.394  -0.163   5.702
  100    HD2  LYS  13           HD3      LYS  13   2.487   1.651   6.750
  101    HD3  LYS  13           HD2      LYS  13   3.846   2.383   5.920
  102    HE2  LYS  13           HE3      LYS  13   2.291   3.346   4.175
  103    HE3  LYS  13           HE2      LYS  13   0.929   2.447   4.854
  104    HZ2  LYS  13           HZ2      LYS  13   1.231   3.696   6.916
  105    HZ3  LYS  13           HZ3      LYS  13   2.493   4.521   6.285
  106    H    HIS  14           H        HIS  14   3.436   2.049  -0.033
  107    HA   HIS  14           HA       HIS  14   4.807   2.097  -1.919
  108    HB2  HIS  14           HB2      HIS  14   5.544   4.005  -0.397
  109    HB3  HIS  14           HB3      HIS  14   6.979   3.065  -0.006
  110    HD2  HIS  14           HD2      HIS  14   7.854   5.499  -1.160
  111    HE1  HIS  14           HE2      HIS  14   7.656   4.066  -5.068
  112    HE2  HIS  14           HE3      HIS  14   8.680   5.967  -3.666
  113    H    LEU  15           H        LEU  15   4.399  -0.532  -1.165
  114    HA   LEU  15           HA       LEU  15   5.260  -2.674  -1.328
  115    HB2  LEU  15           HB3      LEU  15   7.255  -1.325  -3.196
  116    HB3  LEU  15           HB2      LEU  15   7.401  -3.014  -2.814
  117    HG   LEU  15           HG       LEU  15   6.345  -2.699  -4.939
  118   HD11  LEU  15          HD11      LEU  15   5.637  -4.767  -3.468
  119   HD12  LEU  15          HD12      LEU  15   4.362  -4.302  -4.615
  120   HD13  LEU  15          HD13      LEU  15   4.225  -3.863  -2.914
  121   HD21  LEU  15          HD21      LEU  15   3.936  -1.371  -3.559
  122   HD22  LEU  15          HD22      LEU  15   4.097  -1.764  -5.285
  123   HD23  LEU  15          HD23      LEU  15   5.162  -0.541  -4.549
  124    H    ASN  16           H        ASN  16   5.702  -1.443   1.119
  125    HA   ASN  16           HA       ASN  16   6.981  -1.431   3.034
  126    HB2  ASN  16           HB2      ASN  16   6.491  -3.841   2.580
  127    HB3  ASN  16           HB3      ASN  16   8.148  -3.986   2.020
  128   HD21  ASN  16          HD21      ASN  16   7.454  -3.746   6.077
  129   HD22  ASN  16          HD22      ASN  16   6.138  -3.406   4.844
  130    H    GLU  17           H        GLU  17   7.901   0.387   1.179
  131    HA   GLU  17           HA       GLU  17   9.666   1.750   0.639
  132    HB2  GLU  17           HB3      GLU  17  11.172   0.430   2.854
  133    HB3  GLU  17           HB2      GLU  17  11.720   1.867   2.014
  134    HG2  GLU  17           HG2      GLU  17   9.749   3.171   2.765
  135    HG3  GLU  17           HG3      GLU  17   9.001   1.745   3.471
  136    HE2  GLU  17           HE2      GLU  17  10.917   1.734   6.362
  137    H    HIS  18           H        HIS  18   9.226  -0.182  -1.194
  138    HA   HIS  18           HA       HIS  18  10.040  -1.190  -3.015
  139    HB2  HIS  18           HB2      HIS  18  11.161   1.022  -3.089
  140    HB3  HIS  18           HB3      HIS  18  12.679   0.282  -2.584
  141    HD2  HIS  18           HD2      HIS  18  13.135   1.511  -5.094
  142    HE1  HIS  18           HE2      HIS  18  11.954  -1.835  -7.280
  143    HE2  HIS  18           HE3      HIS  18  13.256   0.374  -7.519
  144    H    ALA  19           H        ALA  19   9.981  -3.251  -2.721
  145    HA   ALA  19           HA       ALA  19  10.663  -5.456  -2.676
  146    HB1  ALA  19           HB1      ALA  19  12.702  -4.848  -3.928
  147    HB2  ALA  19           HB2      ALA  19  12.988  -6.204  -2.818
  148    HB3  ALA  19           HB3      ALA  19  13.595  -4.585  -2.409
  149    H    HIS  20           H        HIS  20   9.703  -6.256  -0.939
  150    HA   HIS  20           HA       HIS  20  10.548  -5.802   1.810
  151    HB2  HIS  20           HB2      HIS  20   8.170  -6.190   0.987
  152    HB3  HIS  20           HB3      HIS  20   8.540  -7.893   0.795
  153    HD2  HIS  20           HD2      HIS  20   6.329  -7.659   2.560
  154    HE1  HIS  20           HE2      HIS  20   8.709  -7.288   5.959
  155    HE2  HIS  20           HE3      HIS  20   6.294  -7.807   5.231
  156    HC   HIS  20           HC       HIS  20  12.116  -7.725   2.032