*HEADER    MEMBRANE PROTEIN                        08-SEP-14   2MUD              
*TITLE     STRUCTURAL MODIFICATIONS TO A HIGH-ACTIVITY BINDING PEPTIDE LOCATED   
*TITLE    2 WHITIN THE PFEMP1 NTS DOMAIN INDUCE PROTECTION AGAINST P. FALCIPARUM 
*TITLE    3 MALARIA IN AOTUS MONKEYS                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VARIANT-SPECIFIC SURFACE PROTEIN;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 21-40;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
*SOURCE   4 ORGANISM_TAXID: 5833                                                 
*KEYWDS    PFEMP-1, MEMBRANE PROTEIN                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    29                                                                    
*AUTHOR    H.CURTIDOR, M.TORRES, M.ALBA, M.PATARROYO                             
*REVDAT   1   23-SEP-15 2MUD    0                                                


!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_14:HG2*   1:VAL_14:HG1*   1:VAL_14:CG2    1:VAL_14:CG1    1:VAL_14:CB    
1:VAL_18:HG2*   1:VAL_18:HG1*   1:VAL_18:CG2    1:VAL_18:CG1    1:VAL_18:CB    
!
#chiral
1:GLU_1:CA         S
1:SER_2:CA         S
1:ALA_3:CA         S
1:LYS_4:CA         S
1:HIS_5:CA         S
1:MET_6:CA         S
1:PHE_7:CA         S
1:ASP_8:CA         S
1:ARG_9:CA         S
1:ILE_10:CA        S
1:ILE_10:CB        S
1:LYS_12:CA        S
1:ASP_13:CA        S
1:VAL_14:CA        S
1:TYR_15:CA        S
1:ASP_16:CA        S
1:LYS_17:CA        S
1:VAL_18:CA        S
1:LYS_19:CA        S
1:GLU_20:CA        S
!
#distance
1:GLU_1:O          1:HIS_5:HN          1.800  2.500 30.00 30.00 1000.000
1:SER_2:O          1:MET_6:HN          1.800  2.500 30.00 30.00 1000.000
1:HIS_5:O          1:ARG_9:HN          1.800  2.500 30.00 30.00 1000.000
1:ARG_9:O          1:ASP_13:HN         1.800  2.500 30.00 30.00 1000.000
1:ASP_13:O         1:LYS_17:HN         1.800  2.500 30.00 30.00 1000.000
!
#NOE_distance
1:GLU_1:HN         1:GLU_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HN         1:SER_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ALA_3:HN         1:ALA_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HN         1:LYS_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_5:HN         1:HIS_5:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_13:HN        1:ASP_13:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_13:HN        1:ASP_13:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HN        1:TYR_15:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HN        1:ASP_13:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HN        1:ASP_13:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_8:HN         1:PHE_7:HBS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_8:HN         1:PHE_7:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HN         1:PHE_7:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HN         1:PHE_7:HBS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_16:HN        1:ASP_16:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_16:HN        1:ASP_16:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_8:HN         1:ASP_8:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_8:HN         1:ASP_8:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:MET_6:HN         1:MET_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ALA_3:HN         1:SER_2:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_5:HN         1:HIS_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HN        1:ASP_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_8:HN         1:ASP_8:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_8:HN         1:PHE_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:PHE_7:HN         1:PHE_7:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HN        1:LYS_17:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_19:HN        1:LYS_19:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_5:HN         1:LYS_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_13:HN        1:LYS_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HN        1:ARG_9:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_12:HN        1:LYS_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HN        1:LYS_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_9:HN         1:ARG_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:GLU_20:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HN         1:SER_2:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HN         1:SER_2:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLY_11:HN        1:GLY_11:HAS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLY_11:HN        1:GLY_11:HAR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HN        1:VAL_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HN        1:VAL_18: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:ARG_9:HN         1:ASP_8:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_9:HN         1:ASP_8:HBS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_6:HN         1:MET_6:HGR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:MET_6:HN         1:MET_6:HGS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_1:HN         1:GLU_1:HG*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HN         1:GLU_1:HG*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:GLU_20:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_1:HN         1:GLU_1:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HN         1:GLU_1:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_1:HN         1:GLU_1:HBS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
1:GLY_11:HN        1:ILE_10:HB         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HN        1:LYS_17:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HN        1:VAL_14:HB         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:         
1:LYS_19:HN        1:VAL_18:HB         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_6:HN         1:MET_6:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HN        1:ILE_10:HB         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_5:HN         1:LYS_4:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HN         1:LYS_4:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_12:HN        1:LYS_12:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_9:HN         1:ARG_9:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HN        1:LYS_17:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:GLU_20:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:GLU_20:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ALA_3:HN         1:GLU_1:HBR         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_13:HN        1:ARG_9:HB*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:LYS_17:HN        1:VAL_14:HB         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:LYS_4:HN         1:GLU_1:HBR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:LYS_19:HN        1:LYS_19:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:LYS_19:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ALA_3:HN         1:ALA_3:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HN         1:ALA_3:HB*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:LYS_4:HN         1:ALA_3:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:MET_6:HN         1:ALA_3:HB*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:GLY_11:HN        1:ILE_10:HG2*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HN        1:VAL_14:HGS*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HN        1:VAL_14:HGR*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HN        1:VAL_14:HGS*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_15:HN        1:VAL_14:HGR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_10:HN        1:ILE_10:HG2*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_10:HN        1:ILE_10:HD1*       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10: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:HG1R       2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
1:HIS_5:HD2        1:HIS_5:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HE*        1:PHE_7:HBR         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HE*        1:PHE_7:HBS         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HD*       1:TYR_15:HB*        1.800  5.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HE*       1:TYR_15:HB*        1.800  5.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_16:HN        1:VAL_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_15:HN        1:VAL_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_19:HN        1:VAL_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:LYS_12:HN        1:GLY_11:HAS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_12:HN        1:GLY_11:HAR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HN        1:VAL_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:VAL_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ALA_3:HN         1:SER_2:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ALA_3:HN         1:SER_2:HBS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_13:HN        1:ILE_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLY_11:HN        1:ILE_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:PHE_7:HN         1:LYS_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_8:HN         1:LYS_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:PHE_7:HN         1:ALA_3:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_16:HN        1:LYS_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HN         1:ALA_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:LYS_19:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_4:HN         1:GLU_1:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:ARG_9:HN         1:MET_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_12:HN        1:ILE_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:SER_2:HN         1:GLU_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HN         1:MET_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_8:HN         1:MET_6:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:LYS_19:HN        1:ASP_16:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_5:HN         1:SER_2:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_10:HN        1:PHE_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_4:HN         1:SER_2:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:ARG_9:HN         1:PHE_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:LYS_17:HN        1:ASP_16:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:PHE_7:HN         1:HIS_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:TYR_15:HN        1:ASP_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ARG_9:HN         1:HIS_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_12:HN        1:ASP_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:TYR_15:HE*       1:TYR_15:HA         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HD*       1:TYR_15:HA         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:NH2_21:HN2       1:GLU_20:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:TYR_15:HD*       1:ASP_16:HA         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HE*        1:PHE_7:HA          1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:NH2_21:HN1       1:GLU_20:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_5:HD2        1:HIS_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HBS        1:SER_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_2:HBR        1:SER_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HBR        1:LYS_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HBR        1:ALA_3:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_13:HBS       1:ILE_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_13:HBR       1:ILE_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HB*       1:TYR_15:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HBS        1:LYS_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:HIS_5:HB*        1:SER_2:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_5:HB*        1:HIS_5:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HBR        1:PHE_7:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_7:HBS        1:PHE_7:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_16:HBS       1:ASP_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_8:HBS        1:ASP_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_13:HBS       1:ASP_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_16:HBR       1:ASP_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_13:HBR       1:ASP_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_1:HG*        1:GLU_1:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HG*       1:GLU_20:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_14:HB        1:VAL_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HB        1:VAL_18:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HB*       1:VAL_14:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HB        1:ILE_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HBS       1:LYS_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:MET_6:HB*        1:ALA_3:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_20:HBR       1:GLU_20:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HBS       1:GLU_20:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:MET_6:HB*        1:MET_6:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HB*       1:LYS_17:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_9:HB*        1:ARG_9:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_12:HB*       1:LYS_12:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HB*        1:LYS_4:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HB*        1:GLU_1:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:ILE_10:HB        1:PHE_7:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_19:HB*       1:ASP_16:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_19:HB*       1:LYS_19:HA         1.800  3.800  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:ALA_3:HB*        1:ALA_3:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HGR*      1:VAL_14:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HGS*      1:VAL_14:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HGS*      1:VAL_18:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HGR*      1:VAL_18:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HG2*      1:ILE_10:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HD1*      1:ILE_10:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_18:HGR*      1:TYR_15:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HGS*      1:TYR_15:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HG2*      1:PHE_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HD1*      1:PHE_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HGR*      1:VAL_18:HB         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HGR*      1:VAL_14:HB         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_18:HGS*      1:VAL_18:HB         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_14:HGS*      1:VAL_14:HB         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HD1*      1:ILE_10:HB         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HG2*      1:ILE_10:HB         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HG2*      1:ILE_10:HG1R       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HD1*      1:ILE_10:HG1R       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HD1*      1:ILE_10:HG1S       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HG2*      1:ILE_10:HG1S       1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HG1S      1:ILE_10:HG1R       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HE*       1:TYR_15:HD*        1.800  6.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:NH2_21:HN2       1:NH2_21:HN1        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:NH2_21:HN2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:NH2_21:HN1        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HN        1:TYR_15:HD*        1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_8:HN         1:PHE_7:HE*         3.500  7.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:PHE_7:HN         1:PHE_7:HE*         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:ASP_16:HN        1:TYR_15:HD*        1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HN        1:ASP_16:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HN         1:SER_2:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:        
1:MET_6:HN         1:PHE_7:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_15:HN        1:ASP_16:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ALA_3:HN         1:SER_2:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_10:HN        1:GLY_11:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_8:HN         1:PHE_7:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_9:HN         1:ASP_8:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_12:HN        1:GLY_11:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HN         1:ALA_3:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_4:HN         1:HIS_5:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_12:HN        1:ASP_13:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ARG_9:HN         1:ILE_10:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HN        1:VAL_18:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_20:HN        1:LYS_19:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_19:HN        1:VAL_18:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_13:HN        1:VAL_14:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_8:HN         1:MET_6:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ALA_3:HN         1:GLU_1:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:HIS_5:HN         1:ALA_3:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:MET_6:HN         1:LYS_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:VAL_14:HN        1:LYS_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:VAL_18:HN        1:ASP_16:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_10:HN        1:MET_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLY_11:HN        1:PHE_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_13:HN        1:ARG_9:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:VAL_14:HN        1:ILE_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_17:HN        1:ASP_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_18:HN        1:VAL_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_19:HN        1:TYR_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_20:HN        1:ASP_16:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:MET_6:HN         1:ALA_3:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_8:HN         1:HIS_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_12:HN        1:ARG_9:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:TYR_15:HN        1:LYS_12:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_18:HN        1:TYR_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:TYR_15:HN        1:TYR_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_13:HN        1:ASP_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_18:HN        1:VAL_18:HB         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_18:HN        1:VAL_18:HGR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_18:HN        1:VAL_18:HGS*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_9:HB*        1:MET_6:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:ASP_13:HN        1:GLY_11:HAR        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:ASP_13:HN        1:GLY_11:HAS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:VAL_14:HN        1:GLY_11:HAR        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
1:ASP_13:HN        1:TYR_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !week:
!
#mixing_times
4.000000E+02 
!
#NMR_dihedral
1:GLU_1:CA         1:GLU_1:C          1:SER_2:N          1:SER_2:CA         178.000 180.000 500.00 500.00 1000.000
1:SER_2:CA         1:SER_2:C          1:ALA_3:N          1:ALA_3:CA         178.000 180.000 500.00 500.00 1000.000
1:ALA_3:CA         1:ALA_3:C          1:LYS_4:N          1:LYS_4:CA         178.000 180.000 500.00 500.00 1000.000
1:LYS_4:CA         1:LYS_4:C          1:HIS_5:N          1:HIS_5:CA         178.000 180.000 500.00 500.00 1000.000
1:HIS_5:CA         1:HIS_5:C          1:MET_6:N          1:MET_6:CA         178.000 180.000 500.00 500.00 1000.000
1:MET_6:CA         1:MET_6:C          1:PHE_7:N          1:PHE_7:CA         178.000 180.000 500.00 500.00 1000.000
1:PHE_7:CA         1:PHE_7:C          1:ASP_8:N          1:ASP_8:CA         178.000 180.000 500.00 500.00 1000.000
1:ASP_8:CA         1:ASP_8:C          1:ARG_9:N          1:ARG_9:CA         178.000 180.000 500.00 500.00 1000.000
1:ARG_9:CA         1:ARG_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:GLY_11:N         1:GLY_11:CA        178.000 180.000 500.00 500.00 1000.000
1:GLY_11:CA        1:GLY_11:C         1:LYS_12:N         1:LYS_12:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_12:CA        1:LYS_12:C         1:ASP_13:N         1:ASP_13:CA        178.000 180.000 500.00 500.00 1000.000
1:ASP_13:CA        1:ASP_13:C         1:VAL_14:N         1:VAL_14:CA        178.000 180.000 500.00 500.00 1000.000
1:VAL_14:CA        1:VAL_14:C         1:TYR_15:N         1:TYR_15:CA        178.000 180.000 500.00 500.00 1000.000
1:TYR_15:CA        1:TYR_15:C         1:ASP_16:N         1:ASP_16:CA        178.000 180.000 500.00 500.00 1000.000
1:ASP_16:CA        1:ASP_16:C         1:LYS_17:N         1:LYS_17:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_17:CA        1:LYS_17:C         1:VAL_18:N         1:VAL_18:CA        178.000 180.000 500.00 500.00 1000.000
1:VAL_18:CA        1:VAL_18:C         1:LYS_19:N         1:LYS_19:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_19:CA        1:LYS_19:C         1:GLU_20:N         1:GLU_20:CA        178.000 180.000 500.00 500.00 1000.000
!
#3J_dihedral
1:GLU_1:HN         1:GLU_1:N          1:GLU_1:CA         1:GLU_1:HA          5.49  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500
1:SER_2:HN         1:SER_2:N          1:SER_2:CA         1:SER_2:HA          6.10  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500
1:ASP_8:HN         1:ASP_8:N          1:ASP_8:CA         1:ASP_8:HA          6.10  1.00 30.00 30.00 1000.000 -100.0  -40.0 !A=6.700, B=-1.300, C=1.500

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           3HA      ACE   1 -12.649  -4.483  -1.046
    2    H2   ACE   1           1HA      ACE   1 -12.270  -4.565  -2.783
    3    H3   ACE   1           2HA      ACE   1 -13.968  -4.590  -2.248
    4    H    GLU   1           H        GLU   1 -14.403  -2.625  -0.711
    5    HA   GLU   1           HA       GLU   1 -14.418  -0.283  -2.234
    6    HB2  GLU   1           2HB      GLU   1 -15.031  -0.705   0.749
    7    HB3  GLU   1           1HB      GLU   1 -15.466   0.734  -0.113
    8    HG2  GLU   1           1HG      GLU   1 -16.894  -0.311  -1.686
    9    HG3  GLU   1           2HG      GLU   1 -16.493  -1.932  -1.103
   10    HE2  GLU   1           HE2      GLU   1 -18.040   0.985  -0.453
   11    H    SER   2           H        SER   2 -14.142   1.763  -0.454
   12    HA   SER   2           HA       SER   2 -11.599   2.911  -0.998
   13    HB2  SER   2           2HB      SER   2 -13.729   4.101  -0.262
   14    HB3  SER   2           1HB      SER   2 -13.254   3.727   1.369
   15    HG   SER   2           HG       SER   2 -11.272   4.808   0.979
   16    H    ALA   3           H        ALA   3 -12.596   1.514   2.022
   17    HA   ALA   3           HA       ALA   3  -9.836   1.660   3.136
   18    HB1  ALA   3           3HB      ALA   3 -10.819   0.675   5.251
   19    HB2  ALA   3           1HB      ALA   3 -11.877   1.976   4.638
   20    HB3  ALA   3           2HB      ALA   3 -12.313   0.260   4.361
   21    H    LYS   4           H        LYS   4 -10.626  -0.103   1.058
   22    HA   LYS   4           HA       LYS   4  -8.531  -2.108   1.507
   23    HB2  LYS   4           1HB      LYS   4 -10.970  -3.108   2.007
   24    HB3  LYS   4           2HB      LYS   4 -11.243  -2.978   0.283
   25    HG2  LYS   4           2HG      LYS   4 -10.713  -5.297   0.914
   26    HG3  LYS   4           1HG      LYS   4  -9.485  -4.690  -0.167
   27    HD2  LYS   4           2HD      LYS   4  -8.416  -6.012   1.543
   28    HD3  LYS   4           1HD      LYS   4  -7.900  -4.347   1.752
   29    HE2  LYS   4           1HE      LYS   4  -9.551  -4.078   3.678
   30    HE3  LYS   4           2HE      LYS   4 -10.103  -5.742   3.436
   31    HZ1  LYS   4           2HZ      LYS   4  -8.477  -5.622   5.172
   32    HZ3  LYS   4           1HZ      LYS   4  -7.877  -6.512   3.939
   33    H    HIS   5           H        HIS   5  -9.272   0.187  -0.159
   34    HA   HIS   5           HA       HIS   5  -7.643  -0.588  -2.567
   35    HB2  HIS   5           1HB      HIS   5 -10.040   0.119  -3.177
   36    HB3  HIS   5           2HB      HIS   5  -9.700   1.720  -2.526
   37    HD2  HIS   5           HD2      HIS   5  -8.148  -0.808  -5.143
   38    HE1  HIS   5           HE1      HIS   5  -7.094   3.002  -6.435
   39    HE2  HIS   5           HE2      HIS   5  -6.880   0.517  -7.061
   40    H    MET   6           H        MET   6  -8.154   1.925  -0.037
   41    HA   MET   6           HA       MET   6  -5.654   3.327  -0.793
   42    HB2  MET   6           1HB      MET   6  -7.247   3.825   1.809
   43    HB3  MET   6           2HB      MET   6  -6.056   4.865   1.049
   44    HG2  MET   6           2HG      MET   6  -7.995   4.686  -0.973
   45    HG3  MET   6           1HG      MET   6  -8.992   4.558   0.469
   46    HE1  MET   6           3HE      MET   6  -9.049   7.021  -1.696
   47    HE2  MET   6           1HE      MET   6  -9.238   8.422  -0.601
   48    HE3  MET   6           2HE      MET   6 -10.177   6.930  -0.308
   49    H    PHE   7           H        PHE   7  -6.917   1.112   1.723
   50    HA   PHE   7           HA       PHE   7  -4.343   0.801   3.100
   51    HB2  PHE   7           2HB      PHE   7  -7.050  -0.543   3.098
   52    HB3  PHE   7           1HB      PHE   7  -5.799  -1.507   3.763
   53    HD1  PHE   7           HD2      PHE   7  -4.577  -0.694   5.871
   54    HD2  PHE   7           HD1      PHE   7  -7.922   1.469   4.246
   55    HE1  PHE   7           HE2      PHE   7  -4.809   0.530   7.969
   56    HE2  PHE   7           HE1      PHE   7  -8.158   2.687   6.341
   57    HZ   PHE   7           HZ       PHE   7  -6.606   2.234   8.240
   58    H    ASP   8           H        ASP   8  -6.009  -0.959   0.542
   59    HA   ASP   8           HA       ASP   8  -4.134  -3.108   0.104
   60    HB2  ASP   8           1HB      ASP   8  -6.373  -2.778  -1.006
   61    HB3  ASP   8           2HB      ASP   8  -5.657  -1.684  -2.153
   62    HD2  ASP   8           HD2      ASP   8  -5.133  -5.690  -2.372
   63    H    ARG   9           H        ARG   9  -4.254   0.113  -1.446
   64    HA   ARG   9           HA       ARG   9  -1.702  -0.047  -2.861
   65    HB2  ARG   9           2HB      ARG   9  -3.263   2.481  -2.034
   66    HB3  ARG   9           1HB      ARG   9  -1.838   2.526  -3.046
   67    HG2  ARG   9           1HG      ARG   9  -4.474   1.121  -3.797
   68    HG3  ARG   9           2HG      ARG   9  -4.013   2.727  -4.304
   69    HD2  ARG   9           2HD      ARG   9  -2.531   0.128  -5.078
   70    HD3  ARG   9           1HD      ARG   9  -3.704   0.983  -6.079
   71   HH11  ARG   9          2HH2      ARG   9  -1.891  -0.124  -7.270
   72   HH12  ARG   9          1HH2      ARG   9  -0.512   0.404  -8.359
   73   HH21  ARG   9          1HH1      ARG   9  -0.095   3.418  -6.743
   74   HH22  ARG   9          2HH1      ARG   9   0.436   2.277  -8.078
   75    H    ILE  10           H        ILE  10  -2.498   1.773   0.165
   76    HA   ILE  10           HA       ILE  10   0.102   2.580   0.910
   77    HB   ILE  10           HB       ILE  10  -2.407   1.786   2.360
   78   HG12  ILE  10          2HG1      ILE  10  -1.091   4.542   2.055
   79   HG13  ILE  10          1HG1      ILE  10  -2.214   3.885   0.887
   80   HG21  ILE  10          1HG2      ILE  10  -0.824   1.302   4.089
   81   HG22  ILE  10          2HG2      ILE  10  -1.760   2.737   4.496
   82   HG23  ILE  10          3HG2      ILE  10  -0.068   2.921   3.917
   83   HD11  ILE  10          3HD1      ILE  10  -3.547   5.301   2.215
   84   HD12  ILE  10          1HD1      ILE  10  -2.940   4.600   3.754
   85   HD13  ILE  10          2HD1      ILE  10  -3.991   3.642   2.680
   86    H    GLY  11           H        GLY  11  -1.394  -0.497   1.572
   87    HA2  GLY  11           2HA      GLY  11   0.630  -1.815   3.095
   88    HA3  GLY  11           1HA      GLY  11  -0.513  -2.676   2.019
   89    H    LYS  12           H        LYS  12   0.554  -1.361  -0.355
   90    HA   LYS  12           HA       LYS  12   3.408  -2.244  -0.591
   91    HB2  LYS  12           2HB      LYS  12   1.227  -3.303  -2.538
   92    HB3  LYS  12           1HB      LYS  12   2.956  -3.446  -2.817
   93    HG2  LYS  12           1HG      LYS  12   3.190  -4.826  -0.699
   94    HG3  LYS  12           2HG      LYS  12   1.437  -4.794  -0.511
   95    HD2  LYS  12           2HD      LYS  12   1.161  -5.904  -2.753
   96    HD3  LYS  12           1HD      LYS  12   2.902  -5.942  -2.983
   97    HE2  LYS  12           2HE      LYS  12   1.402  -7.381  -0.681
   98    HE3  LYS  12           1HE      LYS  12   1.865  -8.136  -2.204
   99    HZ1  LYS  12           2HZ      LYS  12   3.779  -6.963  -0.267
  100    HZ3  LYS  12           1HZ      LYS  12   4.189  -7.667  -1.684
  101    H    ASP  13           H        ASP  13   2.533   0.278  -0.341
  102    HA   ASP  13           HA       ASP  13   3.833   1.483  -2.758
  103    HB2  ASP  13           1HB      ASP  13   1.252   1.989  -2.405
  104    HB3  ASP  13           2HB      ASP  13   1.789   2.922  -1.063
  105    HD2  ASP  13           HD2      ASP  13   2.990   4.663  -1.372
  106    H    VAL  14           H        VAL  14   3.063   1.973   0.673
  107    HA   VAL  14           HA       VAL  14   5.940   2.861   0.883
  108    HB   VAL  14           HB       VAL  14   5.622   4.249   2.734
  109   HG11  VAL  14          3HG2      VAL  14   3.798   5.062   0.400
  110   HG12  VAL  14          1HG2      VAL  14   5.572   5.159   0.431
  111   HG13  VAL  14          2HG2      VAL  14   4.608   6.182   1.544
  112   HG21  VAL  14          1HG1      VAL  14   3.316   5.011   3.518
  113   HG22  VAL  14          2HG1      VAL  14   2.562   3.823   2.408
  114   HG23  VAL  14          3HG1      VAL  14   3.539   3.263   3.780
  115    H    TYR  15           H        TYR  15   5.172   0.746   0.649
  116    HA   TYR  15           HA       TYR  15   6.715  -0.794   2.733
  117    HB2  TYR  15           2HB      TYR  15   4.352  -1.538   3.048
  118    HB3  TYR  15           1HB      TYR  15   4.219  -1.838   1.331
  119    HD1  TYR  15           HD1      TYR  15   6.057  -2.948   4.425
  120    HD2  TYR  15           HD2      TYR  15   5.087  -3.945   0.357
  121    HE1  TYR  15           HE1      TYR  15   7.090  -5.149   4.718
  122    HE2  TYR  15           HE2      TYR  15   6.115  -6.145   0.653
  123    HH   TYR  15           HH       TYR  15   7.202  -7.513   2.035
  124    H    ASP  16           H        ASP  16   5.600  -0.402  -0.661
  125    HA   ASP  16           HA       ASP  16   7.808  -2.115  -1.702
  126    HB2  ASP  16           1HB      ASP  16   5.579  -2.052  -2.927
  127    HB3  ASP  16           2HB      ASP  16   5.932  -0.376  -3.293
  128    HD2  ASP  16           HD2      ASP  16   7.778  -3.422  -5.233
  129    H    LYS  17           H        LYS  17   7.124   1.379  -1.291
  130    HA   LYS  17           HA       LYS  17   9.706   2.192  -2.509
  131    HB2  LYS  17           1HB      LYS  17   7.671   3.768  -0.818
  132    HB3  LYS  17           2HB      LYS  17   9.127   4.476  -1.490
  133    HG2  LYS  17           2HG      LYS  17   8.389   4.128  -3.804
  134    HG3  LYS  17           1HG      LYS  17   7.002   3.171  -3.293
  135    HD2  LYS  17           2HD      LYS  17   6.064   5.182  -2.055
  136    HD3  LYS  17           1HD      LYS  17   7.421   6.154  -2.638
  137    HE2  LYS  17           2HE      LYS  17   6.698   5.702  -5.041
  138    HE3  LYS  17           1HE      LYS  17   5.347   4.724  -4.447
  139    HZ1  LYS  17           2HZ      LYS  17   4.641   6.944  -4.930
  140    HZ3  LYS  17           1HZ      LYS  17   4.474   6.666  -3.328
  141    H    VAL  18           H        VAL  18   8.786   0.772   0.373
  142    HA   VAL  18           HA       VAL  18  10.826   2.001   2.161
  143    HB   VAL  18           HB       VAL  18   8.468   0.289   2.905
  144   HG11  VAL  18          1HG1      VAL  18  10.160  -0.686   4.244
  145   HG12  VAL  18          2HG1      VAL  18  10.645   0.923   4.875
  146   HG13  VAL  18          3HG1      VAL  18   9.018   0.239   5.226
  147   HG21  VAL  18          3HG2      VAL  18   9.257   3.075   3.891
  148   HG22  VAL  18          1HG2      VAL  18   7.799   2.155   4.356
  149   HG23  VAL  18          2HG2      VAL  18   7.987   2.714   2.687
  150    H    LYS  19           H        LYS  19   9.842  -1.211   1.041
  151    HA   LYS  19           HA       LYS  19  12.251  -2.569   1.911
  152    HB2  LYS  19           1HB      LYS  19   9.958  -3.558   1.307
  153    HB3  LYS  19           2HB      LYS  19  10.355  -3.344  -0.393
  154    HG2  LYS  19           2HG      LYS  19  12.286  -4.963  -0.118
  155    HG3  LYS  19           1HG      LYS  19  11.955  -5.072   1.612
  156    HD2  LYS  19           2HD      LYS  19   9.621  -5.998   1.076
  157    HD3  LYS  19           1HD      LYS  19  10.005  -5.891  -0.634
  158    HE2  LYS  19           1HE      LYS  19  10.324  -8.187  -0.033
  159    HE3  LYS  19           2HE      LYS  19  11.940  -7.535  -0.294
  160    HZ1  LYS  19           2HZ      LYS  19  11.854  -8.868   1.682
  161    HZ3  LYS  19           1HZ      LYS  19  12.183  -7.324   2.108
  162    H    GLU  20           H        GLU  20  11.989  -0.238  -0.545
  163    HA   GLU  20           HA       GLU  20  14.052  -1.347  -2.365
  164    HB2  GLU  20           2HB      GLU  20  11.933  -0.560  -3.386
  165    HB3  GLU  20           1HB      GLU  20  12.248   1.014  -2.705
  166    HG2  GLU  20           2HG      GLU  20  12.805   1.097  -5.040
  167    HG3  GLU  20           1HG      GLU  20  14.292   1.287  -4.125
  168    HE2  GLU  20           HE2      GLU  20  15.731  -0.244  -4.159
  169    HN1  NH2  21           2HN      NH2  21  14.321   1.256   0.211
  170    HN2  NH2  21           1HN      NH2  21  13.559   1.959  -1.223
  Start of MODEL    2
    1    H1   ACE   1           3HA      ACE   1 -12.507  -2.960  -4.052
    2    H2   ACE   1           1HA      ACE   1 -13.372  -1.454  -3.687
    3    H3   ACE   1           2HA      ACE   1 -11.699  -1.695  -3.103
    4    H    GLU   1           H        GLU   1 -14.371  -2.769  -0.401
    5    HA   GLU   1           HA       GLU   1 -14.638  -0.512  -2.033
    6    HB2  GLU   1           1HB      GLU   1 -14.995  -0.728   1.005
    7    HB3  GLU   1           2HB      GLU   1 -15.598   0.549   0.006
    8    HG2  GLU   1           1HG      GLU   1 -17.478  -0.658   0.283
    9    HG3  GLU   1           2HG      GLU   1 -16.986  -1.019  -1.360
   10    HE2  GLU   1           HE2      GLU   1 -16.870  -4.416  -0.834
   11    H    SER   2           H        SER   2 -14.289   1.684  -0.371
   12    HA   SER   2           HA       SER   2 -11.823   2.827  -1.153
   13    HB2  SER   2           1HB      SER   2 -13.915   4.027  -0.339
   14    HB3  SER   2           2HB      SER   2 -13.324   3.749   1.276
   15    HG   SER   2           HG       SER   2 -12.665   5.751   0.439
   16    H    ALA   3           H        ALA   3 -12.584   1.629   2.024
   17    HA   ALA   3           HA       ALA   3  -9.732   1.845   2.928
   18    HB1  ALA   3           3HB      ALA   3 -11.660   2.271   4.545
   19    HB2  ALA   3           1HB      ALA   3 -12.133   0.548   4.406
   20    HB3  ALA   3           2HB      ALA   3 -10.574   0.993   5.157
   21    H    LYS   4           H        LYS   4 -10.657  -0.011   1.002
   22    HA   LYS   4           HA       LYS   4  -8.631  -2.106   1.451
   23    HB2  LYS   4           1HB      LYS   4 -11.470  -2.729   0.369
   24    HB3  LYS   4           2HB      LYS   4 -10.155  -3.887   0.261
   25    HG2  LYS   4           1HG      LYS   4  -9.997  -3.982   2.779
   26    HG3  LYS   4           2HG      LYS   4 -11.352  -2.857   2.903
   27    HD2  LYS   4           1HD      LYS   4 -12.833  -4.481   1.651
   28    HD3  LYS   4           2HD      LYS   4 -11.484  -5.618   1.531
   29    HE2  LYS   4           2HE      LYS   4 -11.374  -5.759   4.070
   30    HE3  LYS   4           1HE      LYS   4 -12.725  -4.621   4.191
   31    HZ1  LYS   4           2HZ      LYS   4 -12.811  -7.286   2.888
   32    HZ3  LYS   4           1HZ      LYS   4 -13.437  -6.913   4.351
   33    H    HIS   5           H        HIS   5  -9.360   0.231  -0.274
   34    HA   HIS   5           HA       HIS   5  -7.639  -0.531  -2.614
   35    HB2  HIS   5           2HB      HIS   5 -10.050   0.198  -3.207
   36    HB3  HIS   5           1HB      HIS   5  -9.722   1.769  -2.486
   37    HD2  HIS   5           HD2      HIS   5  -7.665  -0.501  -5.007
   38    HE1  HIS   5           HE1      HIS   5  -7.937   3.281  -6.718
   39    HE2  HIS   5           HE2      HIS   5  -6.955   0.937  -7.122
   40    H    MET   6           H        MET   6  -8.098   1.791   0.023
   41    HA   MET   6           HA       MET   6  -5.657   3.326  -0.701
   42    HB2  MET   6           2HB      MET   6  -6.088   4.728   1.294
   43    HB3  MET   6           1HB      MET   6  -7.482   4.766   0.218
   44    HG2  MET   6           2HG      MET   6  -8.887   3.714   1.780
   45    HG3  MET   6           1HG      MET   6  -7.572   2.878   2.594
   46    HE1  MET   6           3HE      MET   6  -8.429   6.743   1.617
   47    HE2  MET   6           1HE      MET   6  -9.835   6.025   2.464
   48    HE3  MET   6           2HE      MET   6  -8.867   7.301   3.258
   49    H    PHE   7           H        PHE   7  -6.907   1.035   1.737
   50    HA   PHE   7           HA       PHE   7  -4.342   0.665   3.092
   51    HB2  PHE   7           2HB      PHE   7  -7.072  -0.600   3.052
   52    HB3  PHE   7           1HB      PHE   7  -5.843  -1.659   3.642
   53    HD1  PHE   7           HD2      PHE   7  -4.513  -0.980   5.739
   54    HD2  PHE   7           HD1      PHE   7  -7.861   1.340   4.349
   55    HE1  PHE   7           HE2      PHE   7  -4.624   0.159   7.893
   56    HE2  PHE   7           HE1      PHE   7  -7.971   2.477   6.495
   57    HZ   PHE   7           HZ       PHE   7  -6.357   1.901   8.309
   58    H    ASP   8           H        ASP   8  -5.981  -1.056   0.490
   59    HA   ASP   8           HA       ASP   8  -4.068  -3.143  -0.022
   60    HB2  ASP   8           2HB      ASP   8  -6.319  -2.805  -1.130
   61    HB3  ASP   8           1HB      ASP   8  -5.617  -1.661  -2.232
   62    HD2  ASP   8           HD2      ASP   8  -5.032  -5.650  -2.594
   63    H    ARG   9           H        ARG   9  -4.236   0.131  -1.456
   64    HA   ARG   9           HA       ARG   9  -1.673   0.051  -2.868
   65    HB2  ARG   9           2HB      ARG   9  -3.405   2.453  -2.014
   66    HB3  ARG   9           1HB      ARG   9  -1.853   2.674  -2.808
   67    HG2  ARG   9           2HG      ARG   9  -2.575   1.420  -4.809
   68    HG3  ARG   9           1HG      ARG   9  -4.133   1.034  -4.079
   69    HD2  ARG   9           2HD      ARG   9  -4.801   3.430  -4.039
   70    HD3  ARG   9           1HD      ARG   9  -3.187   3.934  -4.574
   71   HH11  ARG   9          2HH1      ARG   9  -4.783   5.403  -5.421
   72   HH12  ARG   9          1HH1      ARG   9  -5.408   5.886  -7.077
   73   HH21  ARG   9          1HH2      ARG   9  -4.988   2.736  -8.402
   74   HH22  ARG   9          2HH2      ARG   9  -5.516   4.476  -8.650
   75    H    ILE  10           H        ILE  10  -2.497   1.757   0.215
   76    HA   ILE  10           HA       ILE  10   0.092   2.554   0.999
   77    HB   ILE  10           HB       ILE  10  -2.413   1.688   2.412
   78   HG12  ILE  10          2HG1      ILE  10  -1.113   4.461   2.216
   79   HG13  ILE  10          1HG1      ILE  10  -2.226   3.842   1.020
   80   HG21  ILE  10          1HG2      ILE  10  -0.834   1.148   4.127
   81   HG22  ILE  10          2HG2      ILE  10  -1.779   2.561   4.585
   82   HG23  ILE  10          3HG2      ILE  10  -0.086   2.776   4.019
   83   HD11  ILE  10          3HD1      ILE  10  -4.010   3.521   2.798
   84   HD12  ILE  10          1HD1      ILE  10  -3.575   5.198   2.393
   85   HD13  ILE  10          2HD1      ILE  10  -2.969   4.447   3.908
   86    H    GLY  11           H        GLY  11  -1.380  -0.558   1.542
   87    HA2  GLY  11           1HA      GLY  11   0.653  -1.924   3.013
   88    HA3  GLY  11           2HA      GLY  11  -0.493  -2.744   1.908
   89    H    LYS  12           H        LYS  12   0.599  -1.304  -0.394
   90    HA   LYS  12           HA       LYS  12   3.448  -2.172  -0.648
   91    HB2  LYS  12           1HB      LYS  12   1.826  -4.116  -1.409
   92    HB3  LYS  12           2HB      LYS  12   1.381  -3.093  -2.768
   93    HG2  LYS  12           2HG      LYS  12   3.815  -3.131  -3.544
   94    HG3  LYS  12           1HG      LYS  12   4.247  -4.054  -2.114
   95    HD2  LYS  12           2HD      LYS  12   4.123  -5.623  -3.920
   96    HD3  LYS  12           1HD      LYS  12   2.768  -5.949  -2.864
   97    HE2  LYS  12           2HE      LYS  12   1.983  -6.167  -5.141
   98    HE3  LYS  12           1HE      LYS  12   1.213  -4.726  -4.488
   99    HZ1  LYS  12           2HZ      LYS  12   2.070  -4.393  -6.713
  100    HZ3  LYS  12           1HZ      LYS  12   3.592  -4.789  -6.269
  101    H    ASP  13           H        ASP  13   2.542   0.333  -0.330
  102    HA   ASP  13           HA       ASP  13   3.887   1.648  -2.664
  103    HB2  ASP  13           1HB      ASP  13   1.272   2.095  -2.334
  104    HB3  ASP  13           2HB      ASP  13   1.785   2.992  -0.961
  105    HD2  ASP  13           HD2      ASP  13   1.873   2.742  -4.307
  106    H    VAL  14           H        VAL  14   3.038   1.997   0.764
  107    HA   VAL  14           HA       VAL  14   5.895   2.916   1.077
  108    HB   VAL  14           HB       VAL  14   5.502   4.252   2.963
  109   HG11  VAL  14          3HG2      VAL  14   5.490   5.227   0.682
  110   HG12  VAL  14          1HG2      VAL  14   3.719   5.106   0.612
  111   HG13  VAL  14          2HG2      VAL  14   4.489   6.202   1.806
  112   HG21  VAL  14          1HG1      VAL  14   3.417   3.192   3.923
  113   HG22  VAL  14          2HG1      VAL  14   3.171   4.945   3.718
  114   HG23  VAL  14          3HG1      VAL  14   2.460   3.788   2.550
  115    H    TYR  15           H        TYR  15   5.108   0.790   0.761
  116    HA   TYR  15           HA       TYR  15   6.595  -0.804   2.839
  117    HB2  TYR  15           1HB      TYR  15   4.222  -1.571   3.054
  118    HB3  TYR  15           2HB      TYR  15   4.181  -1.868   1.331
  119    HD1  TYR  15           HD2      TYR  15   6.024  -2.890   4.469
  120    HD2  TYR  15           HD1      TYR  15   5.012  -4.008   0.441
  121    HE1  TYR  15           HE2      TYR  15   7.069  -5.081   4.813
  122    HE2  TYR  15           HE1      TYR  15   6.057  -6.197   0.792
  123    HH   TYR  15           HH       TYR  15   7.592  -7.045   3.903
  124    H    ASP  16           H        ASP  16   5.628  -0.316  -0.568
  125    HA   ASP  16           HA       ASP  16   7.969  -1.952  -1.454
  126    HB2  ASP  16           2HB      ASP  16   5.750  -2.021  -2.797
  127    HB3  ASP  16           1HB      ASP  16   6.122  -0.370  -3.246
  128    HD2  ASP  16           HD2      ASP  16   7.101  -3.598  -3.388
  129    H    LYS  17           H        LYS  17   7.139   1.494  -1.072
  130    HA   LYS  17           HA       LYS  17   9.663   2.368  -2.285
  131    HB2  LYS  17           2HB      LYS  17   7.588   3.813  -2.068
  132    HB3  LYS  17           1HB      LYS  17   7.816   3.871  -0.323
  133    HG2  LYS  17           1HG      LYS  17  10.032   5.061  -0.679
  134    HG3  LYS  17           2HG      LYS  17   9.812   4.941  -2.426
  135    HD2  LYS  17           1HD      LYS  17   7.676   6.334  -2.230
  136    HD3  LYS  17           2HD      LYS  17   7.913   6.417  -0.492
  137    HE2  LYS  17           2HE      LYS  17   8.690   8.510  -1.367
  138    HE3  LYS  17           1HE      LYS  17  10.131   7.637  -0.853
  139    HZ1  LYS  17           2HZ      LYS  17   9.125   7.878  -3.641
  140    HZ3  LYS  17           1HZ      LYS  17  10.396   8.685  -3.006
  141    H    VAL  18           H        VAL  18   8.879   0.918   0.841
  142    HA   VAL  18           HA       VAL  18  11.273   2.018   2.164
  143    HB   VAL  18           HB       VAL  18  10.663   1.224   4.142
  144   HG11  VAL  18          1HG1      VAL  18   8.383   2.111   4.728
  145   HG12  VAL  18          2HG1      VAL  18   7.941   2.046   3.008
  146   HG13  VAL  18          3HG1      VAL  18   9.207   3.166   3.553
  147   HG21  VAL  18          3HG2      VAL  18  10.096  -1.037   4.040
  148   HG22  VAL  18          1HG2      VAL  18   8.704  -0.256   4.809
  149   HG23  VAL  18          2HG2      VAL  18   8.644  -0.723   3.089
  150    H    LYS  19           H        LYS  19   9.953  -1.112   1.397
  151    HA   LYS  19           HA       LYS  19  12.364  -2.652   1.811
  152    HB2  LYS  19           1HB      LYS  19  10.056  -3.239  -0.137
  153    HB3  LYS  19           2HB      LYS  19  11.319  -4.391   0.203
  154    HG2  LYS  19           2HG      LYS  19   9.399  -3.277   2.337
  155    HG3  LYS  19           1HG      LYS  19   9.149  -4.763   1.456
  156    HD2  LYS  19           1HD      LYS  19  11.537  -4.231   3.339
  157    HD3  LYS  19           2HD      LYS  19  10.039  -5.028   3.796
  158    HE2  LYS  19           1HE      LYS  19  10.471  -6.871   2.098
  159    HE3  LYS  19           2HE      LYS  19  12.006  -6.104   1.663
  160    HZ1  LYS  19           2HZ      LYS  19  11.279  -7.128   4.350
  161    HZ3  LYS  19           1HZ      LYS  19  12.284  -7.854   3.285
  162    H    GLU  20           H        GLU  20  11.944  -0.320  -0.596
  163    HA   GLU  20           HA       GLU  20  13.789  -1.528  -2.586
  164    HB2  GLU  20           2HB      GLU  20  11.646  -0.704  -3.435
  165    HB3  GLU  20           1HB      GLU  20  12.026   0.889  -2.816
  166    HG2  GLU  20           2HG      GLU  20  13.968   1.078  -4.412
  167    HG3  GLU  20           1HG      GLU  20  13.661  -0.558  -4.997
  168    HE2  GLU  20           HE2      GLU  20  11.873  -0.953  -6.095
  169    HN1  NH2  21           2HN      NH2  21  14.378   1.123  -0.108
  170    HN2  NH2  21           1HN      NH2  21  13.520   1.817  -1.491
  Start of MODEL    3
    1    H1   ACE   1           3HA      ACE   1 -12.419  -3.635  -3.396
    2    H2   ACE   1           1HA      ACE   1 -13.332  -2.113  -3.450
    3    H3   ACE   1           2HA      ACE   1 -11.725  -2.175  -2.662
    4    H    GLU   1           H        GLU   1 -14.586  -2.662  -0.065
    5    HA   GLU   1           HA       GLU   1 -14.510  -0.688  -2.075
    6    HB2  GLU   1           2HB      GLU   1 -15.326  -0.564   0.876
    7    HB3  GLU   1           1HB      GLU   1 -15.646   0.694  -0.291
    8    HG2  GLU   1           1HG      GLU   1 -17.649  -0.381  -0.243
    9    HG3  GLU   1           2HG      GLU   1 -16.931  -0.876  -1.762
   10    HE2  GLU   1           HE2      GLU   1 -17.585  -3.513   1.279
   11    H    SER   2           H        SER   2 -14.230   1.657  -0.454
   12    HA   SER   2           HA       SER   2 -11.714   2.761  -1.087
   13    HB2  SER   2           1HB      SER   2 -13.832   3.950  -0.297
   14    HB3  SER   2           2HB      SER   2 -13.278   3.631   1.322
   15    HG   SER   2           HG       SER   2 -12.591   5.650   0.545
   16    H    ALA   3           H        ALA   3 -12.610   1.398   1.980
   17    HA   ALA   3           HA       ALA   3  -9.850   1.602   3.067
   18    HB1  ALA   3           3HB      ALA   3 -12.263   0.081   4.276
   19    HB2  ALA   3           1HB      ALA   3 -10.784   0.544   5.167
   20    HB3  ALA   3           2HB      ALA   3 -11.898   1.809   4.579
   21    H    LYS   4           H        LYS   4 -10.571  -0.154   0.967
   22    HA   LYS   4           HA       LYS   4  -8.421  -2.122   1.332
   23    HB2  LYS   4           1HB      LYS   4 -11.231  -2.949   0.315
   24    HB3  LYS   4           2HB      LYS   4  -9.826  -3.985   0.108
   25    HG2  LYS   4           2HG      LYS   4  -9.562  -4.170   2.614
   26    HG3  LYS   4           1HG      LYS   4 -11.010  -3.182   2.833
   27    HD2  LYS   4           2HD      LYS   4 -12.384  -4.881   1.566
   28    HD3  LYS   4           1HD      LYS   4 -10.944  -5.881   1.340
   29    HE2  LYS   4           1HE      LYS   4 -10.715  -6.123   3.864
   30    HE3  LYS   4           2HE      LYS   4 -12.157  -5.122   4.090
   31    HZ1  LYS   4           2HZ      LYS   4 -12.086  -7.696   2.612
   32    HZ3  LYS   4           1HZ      LYS   4 -13.418  -6.771   2.821
   33    H    HIS   5           H        HIS   5  -9.296   0.204  -0.251
   34    HA   HIS   5           HA       HIS   5  -7.650  -0.378  -2.706
   35    HB2  HIS   5           1HB      HIS   5  -9.865   1.761  -2.292
   36    HB3  HIS   5           2HB      HIS   5  -8.733   1.857  -3.624
   37    HD2  HIS   5           HD2      HIS   5  -8.698  -1.242  -4.610
   38    HE1  HIS   5           HE1      HIS   5 -12.639  -0.382  -5.623
   39    HE2  HIS   5           HE2      HIS   5 -10.711  -1.998  -6.161
   40    H    MET   6           H        MET   6  -8.154   2.004  -0.070
   41    HA   MET   6           HA       MET   6  -5.658   3.443  -0.771
   42    HB2  MET   6           2HB      MET   6  -7.248   3.831   1.855
   43    HB3  MET   6           1HB      MET   6  -6.081   4.915   1.122
   44    HG2  MET   6           2HG      MET   6  -8.024   4.800  -0.888
   45    HG3  MET   6           1HG      MET   6  -9.019   4.567   0.544
   46    HE1  MET   6           3HE      MET   6  -9.395   8.469  -0.278
   47    HE2  MET   6           1HE      MET   6 -10.286   6.939  -0.034
   48    HE3  MET   6           2HE      MET   6  -9.202   7.130  -1.448
   49    H    PHE   7           H        PHE   7  -6.901   1.132   1.666
   50    HA   PHE   7           HA       PHE   7  -4.327   0.800   3.031
   51    HB2  PHE   7           1HB      PHE   7  -7.017  -0.570   2.980
   52    HB3  PHE   7           2HB      PHE   7  -5.748  -1.530   3.639
   53    HD1  PHE   7           HD1      PHE   7  -4.570  -0.758   5.772
   54    HD2  PHE   7           HD2      PHE   7  -7.907   1.424   4.154
   55    HE1  PHE   7           HE1      PHE   7  -4.825   0.430   7.888
   56    HE2  PHE   7           HE2      PHE   7  -8.166   2.604   6.266
   57    HZ   PHE   7           HZ       PHE   7  -6.630   2.123   8.172
   58    H    ASP   8           H        ASP   8  -5.972  -0.869   0.394
   59    HA   ASP   8           HA       ASP   8  -4.074  -2.991  -0.105
   60    HB2  ASP   8           2HB      ASP   8  -6.281  -2.684  -1.233
   61    HB3  ASP   8           1HB      ASP   8  -5.609  -1.503  -2.317
   62    HD2  ASP   8           HD2      ASP   8  -4.031  -3.802  -4.360
   63    H    ARG   9           H        ARG   9  -4.226   0.272  -1.565
   64    HA   ARG   9           HA       ARG   9  -1.658   0.206  -2.956
   65    HB2  ARG   9           1HB      ARG   9  -3.337   2.625  -2.046
   66    HB3  ARG   9           2HB      ARG   9  -1.831   2.813  -2.930
   67    HG2  ARG   9           2HG      ARG   9  -2.697   1.617  -4.899
   68    HG3  ARG   9           1HG      ARG   9  -4.182   1.177  -4.060
   69    HD2  ARG   9           2HD      ARG   9  -4.807   3.626  -3.844
   70    HD3  ARG   9           1HD      ARG   9  -3.321   4.077  -4.702
   71   HH11  ARG   9          1HH2      ARG   9  -5.139   5.518  -5.217
   72   HH12  ARG   9          2HH2      ARG   9  -6.132   5.939  -6.702
   73   HH21  ARG   9          1HH1      ARG   9  -5.906   2.768  -8.028
   74   HH22  ARG   9          2HH1      ARG   9  -6.536   4.485  -8.185
   75    H    ILE  10           H        ILE  10  -2.486   1.879   0.140
   76    HA   ILE  10           HA       ILE  10   0.109   2.678   0.922
   77    HB   ILE  10           HB       ILE  10  -2.398   1.816   2.338
   78   HG12  ILE  10          2HG1      ILE  10  -1.098   4.589   2.131
   79   HG13  ILE  10          1HG1      ILE  10  -2.215   3.967   0.940
   80   HG21  ILE  10          1HG2      ILE  10  -0.810   1.281   4.050
   81   HG22  ILE  10          2HG2      ILE  10  -0.067   2.912   3.936
   82   HG23  ILE  10          3HG2      ILE  10  -1.758   2.694   4.508
   83   HD11  ILE  10          3HD1      ILE  10  -3.555   5.331   2.314
   84   HD12  ILE  10          1HD1      ILE  10  -2.952   4.574   3.828
   85   HD13  ILE  10          2HD1      ILE  10  -3.996   3.654   2.715
   86    H    GLY  11           H        GLY  11  -1.375  -0.431   1.477
   87    HA2  GLY  11           2HA      GLY  11   0.686  -1.796   2.919
   88    HA3  GLY  11           1HA      GLY  11  -0.492  -2.613   1.845
   89    H    LYS  12           H        LYS  12   0.593  -1.158  -0.466
   90    HA   LYS  12           HA       LYS  12   3.413  -2.091  -0.790
   91    HB2  LYS  12           1HB      LYS  12   3.003  -3.334  -2.907
   92    HB3  LYS  12           2HB      LYS  12   2.128  -4.057  -1.575
   93    HG2  LYS  12           2HG      LYS  12  -0.004  -2.921  -2.356
   94    HG3  LYS  12           1HG      LYS  12   0.866  -2.217  -3.717
   95    HD2  LYS  12           2HD      LYS  12   1.388  -4.524  -4.588
   96    HD3  LYS  12           1HD      LYS  12   0.583  -5.248  -3.191
   97    HE2  LYS  12           1HE      LYS  12  -1.612  -4.160  -3.881
   98    HE3  LYS  12           2HE      LYS  12  -0.812  -3.440  -5.286
   99    HZ1  LYS  12           2HZ      LYS  12  -1.924  -5.459  -5.879
  100    HZ3  LYS  12           1HZ      LYS  12  -0.315  -5.653  -6.093
  101    H    ASP  13           H        ASP  13   2.560   0.452  -0.424
  102    HA   ASP  13           HA       ASP  13   3.920   1.748  -2.766
  103    HB2  ASP  13           2HB      ASP  13   1.325   2.271  -2.398
  104    HB3  ASP  13           1HB      ASP  13   1.883   3.142  -1.023
  105    HD2  ASP  13           HD2      ASP  13   1.918   2.918  -4.371
  106    H    VAL  14           H        VAL  14   3.126   2.090   0.673
  107    HA   VAL  14           HA       VAL  14   6.014   2.904   0.959
  108    HB   VAL  14           HB       VAL  14   5.703   4.235   2.850
  109   HG11  VAL  14          1HG1      VAL  14   4.755   6.234   1.718
  110   HG12  VAL  14          2HG1      VAL  14   3.926   5.176   0.528
  111   HG13  VAL  14          3HG1      VAL  14   5.702   5.225   0.577
  112   HG21  VAL  14          3HG2      VAL  14   3.405   5.027   3.630
  113   HG22  VAL  14          1HG2      VAL  14   3.582   3.266   3.835
  114   HG23  VAL  14          2HG2      VAL  14   2.639   3.898   2.470
  115    H    TYR  15           H        TYR  15   5.179   0.818   0.632
  116    HA   TYR  15           HA       TYR  15   6.632  -0.846   2.688
  117    HB2  TYR  15           1HB      TYR  15   4.246  -1.542   2.929
  118    HB3  TYR  15           2HB      TYR  15   4.138  -1.781   1.201
  119    HD1  TYR  15           HD2      TYR  15   5.929  -3.017   4.278
  120    HD2  TYR  15           HD1      TYR  15   4.948  -3.891   0.183
  121    HE1  TYR  15           HE2      TYR  15   6.916  -5.248   4.516
  122    HE2  TYR  15           HE1      TYR  15   5.940  -6.115   0.424
  123    HH   TYR  15           HH       TYR  15   6.997  -7.537   1.772
  124    H    ASP  16           H        ASP  16   5.613  -0.277  -0.717
  125    HA   ASP  16           HA       ASP  16   7.780  -2.024  -1.775
  126    HB2  ASP  16           1HB      ASP  16   5.595  -1.839  -3.047
  127    HB3  ASP  16           2HB      ASP  16   5.998  -0.160  -3.335
  128    HD2  ASP  16           HD2      ASP  16   7.472   0.329  -4.740
  129    H    LYS  17           H        LYS  17   7.198   1.480  -1.256
  130    HA   LYS  17           HA       LYS  17   9.837   2.228  -2.368
  131    HB2  LYS  17           2HB      LYS  17   7.800   3.752  -2.369
  132    HB3  LYS  17           1HB      LYS  17   7.906   3.870  -0.616
  133    HG2  LYS  17           1HG      LYS  17  10.192   4.952  -0.850
  134    HG3  LYS  17           2HG      LYS  17  10.098   4.767  -2.603
  135    HD2  LYS  17           1HD      LYS  17   8.018   6.255  -2.626
  136    HD3  LYS  17           2HD      LYS  17   8.128   6.403  -0.880
  137    HE2  LYS  17           1HE      LYS  17   9.062   8.422  -1.775
  138    HE3  LYS  17           2HE      LYS  17  10.419   7.511  -1.117
  139    HZ1  LYS  17           2HZ      LYS  17  10.902   6.756  -3.396
  140    HZ3  LYS  17           1HZ      LYS  17   9.637   7.608  -3.986
  141    H    VAL  18           H        VAL  18   8.803   0.741   0.444
  142    HA   VAL  18           HA       VAL  18  10.852   1.807   2.324
  143    HB   VAL  18           HB       VAL  18   8.417   0.157   2.946
  144   HG11  VAL  18          1HG1      VAL  18   8.917  -0.018   5.272
  145   HG12  VAL  18          2HG1      VAL  18  10.577   0.616   4.981
  146   HG13  VAL  18          3HG1      VAL  18  10.042  -0.943   4.270
  147   HG21  VAL  18          3HG2      VAL  18   8.033   2.605   2.830
  148   HG22  VAL  18          1HG2      VAL  18   9.293   2.863   4.069
  149   HG23  VAL  18          2HG2      VAL  18   7.793   1.982   4.469
  150    H    LYS  19           H        LYS  19   9.776  -1.316   1.048
  151    HA   LYS  19           HA       LYS  19  12.116  -2.796   1.903
  152    HB2  LYS  19           1HB      LYS  19   9.800  -3.673   1.218
  153    HB3  LYS  19           2HB      LYS  19  10.239  -3.406  -0.465
  154    HG2  LYS  19           2HG      LYS  19  12.104  -5.106  -0.219
  155    HG3  LYS  19           1HG      LYS  19  11.732  -5.272   1.499
  156    HD2  LYS  19           1HD      LYS  19   9.377  -6.086   0.879
  157    HD3  LYS  19           2HD      LYS  19   9.802  -5.926  -0.818
  158    HE2  LYS  19           1HE      LYS  19  10.023  -8.255  -0.303
  159    HE3  LYS  19           2HE      LYS  19  11.667  -7.655  -0.504
  160    HZ1  LYS  19           2HZ      LYS  19  11.865  -7.549   1.909
  161    HZ3  LYS  19           1HZ      LYS  19  11.489  -9.061   1.415
  162    H    GLU  20           H        GLU  20  11.993  -0.359  -0.448
  163    HA   GLU  20           HA       GLU  20  14.053  -1.473  -2.268
  164    HB2  GLU  20           2HB      GLU  20  11.984  -0.584  -3.302
  165    HB3  GLU  20           1HB      GLU  20  12.340   0.969  -2.578
  166    HG2  GLU  20           1HG      GLU  20  14.439   1.178  -3.960
  167    HG3  GLU  20           2HG      GLU  20  14.151  -0.421  -4.647
  168    HE2  GLU  20           HE2      GLU  20  12.079   2.833  -5.869
  169    HN1  NH2  21           2HN      NH2  21  14.352   1.044   0.397
  170    HN2  NH2  21           1HN      NH2  21  13.619   1.803  -1.025
  Start of MODEL    4
    1    H1   ACE   1           3HA      ACE   1 -14.006  -4.611  -1.966
    2    H2   ACE   1           1HA      ACE   1 -12.352  -4.609  -2.626
    3    H3   ACE   1           2HA      ACE   1 -12.602  -4.480  -0.869
    4    H    GLU   1           H        GLU   1 -14.392  -2.626  -0.525
    5    HA   GLU   1           HA       GLU   1 -14.455  -0.327  -2.112
    6    HB2  GLU   1           1HB      GLU   1 -15.067  -0.603   0.890
    7    HB3  GLU   1           2HB      GLU   1 -15.535   0.731  -0.106
    8    HG2  GLU   1           1HG      GLU   1 -17.476  -0.415  -0.013
    9    HG3  GLU   1           2HG      GLU   1 -16.875  -0.714  -1.632
   10    HE2  GLU   1           HE2      GLU   1 -16.904  -4.135  -1.279
   11    H    SER   2           H        SER   2 -14.155   1.822  -0.319
   12    HA   SER   2           HA       SER   2 -11.617   2.911  -0.929
   13    HB2  SER   2           2HB      SER   2 -13.720   4.126  -0.140
   14    HB3  SER   2           1HB      SER   2 -13.188   3.769   1.478
   15    HG   SER   2           HG       SER   2 -12.457   5.788   0.744
   16    H    ALA   3           H        ALA   3 -12.555   1.540   2.122
   17    HA   ALA   3           HA       ALA   3  -9.776   1.665   3.174
   18    HB1  ALA   3           3HB      ALA   3 -12.223   0.244   4.437
   19    HB2  ALA   3           1HB      ALA   3 -11.791   1.961   4.717
   20    HB3  ALA   3           2HB      ALA   3 -10.715   0.662   5.302
   21    H    LYS   4           H        LYS   4 -10.610  -0.104   1.108
   22    HA   LYS   4           HA       LYS   4  -8.509  -2.128   1.498
   23    HB2  LYS   4           1HB      LYS   4 -11.369  -2.862   0.521
   24    HB3  LYS   4           2HB      LYS   4 -10.011  -3.961   0.318
   25    HG2  LYS   4           1HG      LYS   4  -9.719  -4.108   2.824
   26    HG3  LYS   4           2HG      LYS   4 -11.124  -3.062   3.041
   27    HD2  LYS   4           1HD      LYS   4 -12.576  -4.756   1.810
   28    HD3  LYS   4           2HD      LYS   4 -11.167  -5.783   1.596
   29    HE2  LYS   4           1HE      LYS   4 -12.385  -6.709   3.442
   30    HE3  LYS   4           2HE      LYS   4 -10.932  -5.991   4.133
   31    HZ1  LYS   4           2HZ      LYS   4 -12.917  -5.481   5.401
   32    HZ3  LYS   4           1HZ      LYS   4 -13.651  -4.785   4.117
   33    H    HIS   5           H        HIS   5  -9.279   0.200  -0.134
   34    HA   HIS   5           HA       HIS   5  -7.698  -0.558  -2.580
   35    HB2  HIS   5           2HB      HIS   5 -10.118   0.139  -3.100
   36    HB3  HIS   5           1HB      HIS   5  -9.797   1.716  -2.384
   37    HD2  HIS   5           HD2      HIS   5  -7.939  -0.559  -5.054
   38    HE1  HIS   5           HE1      HIS   5  -8.052   3.298  -6.607
   39    HE2  HIS   5           HE2      HIS   5  -7.241   0.917  -7.146
   40    H    MET   6           H        MET   6  -8.138   1.922  -0.025
   41    HA   MET   6           HA       MET   6  -5.650   3.326  -0.824
   42    HB2  MET   6           1HB      MET   6  -7.196   3.822   1.807
   43    HB3  MET   6           2HB      MET   6  -6.026   4.865   1.025
   44    HG2  MET   6           1HG      MET   6  -8.031   4.679  -0.954
   45    HG3  MET   6           2HG      MET   6  -8.970   4.546   0.520
   46    HE1  MET   6           3HE      MET   6  -5.757   6.699  -0.739
   47    HE2  MET   6           1HE      MET   6  -6.560   8.294  -0.822
   48    HE3  MET   6           2HE      MET   6  -7.122   6.959  -1.870
   49    H    PHE   7           H        PHE   7  -6.885   1.095   1.695
   50    HA   PHE   7           HA       PHE   7  -4.299   0.784   3.048
   51    HB2  PHE   7           1HB      PHE   7  -7.004  -0.554   3.074
   52    HB3  PHE   7           2HB      PHE   7  -5.743  -1.530   3.713
   53    HD1  PHE   7           HD1      PHE   7  -4.500  -0.759   5.812
   54    HD2  PHE   7           HD2      PHE   7  -7.829   1.472   4.244
   55    HE1  PHE   7           HE1      PHE   7  -4.688   0.451   7.923
   56    HE2  PHE   7           HE2      PHE   7  -8.021   2.675   6.352
   57    HZ   PHE   7           HZ       PHE   7  -6.454   2.181   8.229
   58    H    ASP   8           H        ASP   8  -5.996  -0.962   0.500
   59    HA   ASP   8           HA       ASP   8  -4.131  -3.112   0.019
   60    HB2  ASP   8           2HB      ASP   8  -6.379  -2.780  -1.064
   61    HB3  ASP   8           1HB      ASP   8  -5.690  -1.651  -2.195
   62    HD2  ASP   8           HD2      ASP   8  -5.487  -4.826  -0.964
   63    H    ARG   9           H        ARG   9  -4.262   0.111  -1.514
   64    HA   ARG   9           HA       ARG   9  -1.711  -0.046  -2.938
   65    HB2  ARG   9           2HB      ARG   9  -3.401   2.408  -2.145
   66    HB3  ARG   9           1HB      ARG   9  -1.866   2.575  -2.982
   67    HG2  ARG   9           1HG      ARG   9  -2.655   1.254  -4.916
   68    HG3  ARG   9           2HG      ARG   9  -4.200   0.921  -4.132
   69    HD2  ARG   9           1HD      ARG   9  -4.825   3.333  -4.165
   70    HD3  ARG   9           2HD      ARG   9  -3.221   3.781  -4.776
   71   HH11  ARG   9          2HH1      ARG   9  -4.795   5.248  -5.641
   72   HH12  ARG   9          1HH1      ARG   9  -5.466   5.671  -7.296
   73   HH21  ARG   9          2HH2      ARG   9  -5.183   2.450  -8.482
   74   HH22  ARG   9          1HH2      ARG   9  -5.670   4.191  -8.794
   75    H    ILE  10           H        ILE  10  -2.489   1.761   0.099
   76    HA   ILE  10           HA       ILE  10   0.117   2.566   0.823
   77    HB   ILE  10           HB       ILE  10  -2.376   1.768   2.298
   78   HG12  ILE  10          1HG1      ILE  10  -1.063   4.526   1.981
   79   HG13  ILE  10          2HG1      ILE  10  -2.198   3.872   0.827
   80   HG21  ILE  10          1HG2      ILE  10  -0.774   1.281   4.009
   81   HG22  ILE  10          2HG2      ILE  10  -0.018   2.900   3.830
   82   HG23  ILE  10          3HG2      ILE  10  -1.704   2.717   4.429
   83   HD11  ILE  10          3HD1      ILE  10  -2.895   4.582   3.700
   84   HD12  ILE  10          1HD1      ILE  10  -3.957   3.626   2.635
   85   HD13  ILE  10          2HD1      ILE  10  -3.515   5.286   2.168
   86    H    GLY  11           H        GLY  11  -1.376  -0.514   1.495
   87    HA2  GLY  11           1HA      GLY  11   0.671  -1.840   2.985
   88    HA3  GLY  11           2HA      GLY  11  -0.499  -2.693   1.932
   89    H    LYS  12           H        LYS  12   0.568  -1.348  -0.437
   90    HA   LYS  12           HA       LYS  12   3.411  -2.229  -0.702
   91    HB2  LYS  12           2HB      LYS  12   3.064  -3.588  -2.745
   92    HB3  LYS  12           1HB      LYS  12   2.214  -4.274  -1.378
   93    HG2  LYS  12           1HG      LYS  12   0.033  -3.325  -2.224
   94    HG3  LYS  12           2HG      LYS  12   0.864  -2.597  -3.598
   95    HD2  LYS  12           1HD      LYS  12   1.584  -4.864  -4.397
   96    HD3  LYS  12           2HD      LYS  12   0.820  -5.639  -3.018
   97    HE2  LYS  12           2HE      LYS  12  -0.703  -3.982  -5.152
   98    HE3  LYS  12           1HE      LYS  12  -0.503  -5.732  -5.202
   99    HZ1  LYS  12           2HZ      LYS  12  -1.861  -4.265  -3.013
  100    HZ3  LYS  12           1HZ      LYS  12  -1.664  -5.887  -3.078
  101    H    ASP  13           H        ASP  13   2.536   0.288  -0.458
  102    HA   ASP  13           HA       ASP  13   3.860   1.503  -2.859
  103    HB2  ASP  13           2HB      ASP  13   1.255   1.993  -2.509
  104    HB3  ASP  13           1HB      ASP  13   1.799   2.936  -1.179
  105    HD2  ASP  13           HD2      ASP  13   1.832   2.558  -4.513
  106    H    VAL  14           H        VAL  14   3.059   1.978   0.564
  107    HA   VAL  14           HA       VAL  14   5.926   2.874   0.812
  108    HB   VAL  14           HB       VAL  14   5.580   4.282   2.641
  109   HG11  VAL  14          1HG1      VAL  14   4.585   6.205   1.420
  110   HG12  VAL  14          2HG1      VAL  14   5.556   5.169   0.325
  111   HG13  VAL  14          3HG1      VAL  14   3.782   5.076   0.280
  112   HG21  VAL  14          3HG2      VAL  14   3.480   3.311   3.669
  113   HG22  VAL  14          1HG2      VAL  14   2.524   3.854   2.274
  114   HG23  VAL  14          2HG2      VAL  14   3.261   5.056   3.381
  115    H    TYR  15           H        TYR  15   5.143   0.760   0.580
  116    HA   TYR  15           HA       TYR  15   6.628  -0.792   2.710
  117    HB2  TYR  15           2HB      TYR  15   4.227  -1.468   2.963
  118    HB3  TYR  15           1HB      TYR  15   4.146  -1.811   1.253
  119    HD1  TYR  15           HD1      TYR  15   5.877  -2.844   4.426
  120    HD2  TYR  15           HD2      TYR  15   4.993  -3.975   0.373
  121    HE1  TYR  15           HE1      TYR  15   6.783  -5.078   4.855
  122    HE2  TYR  15           HE2      TYR  15   5.902  -6.206   0.802
  123    HH   TYR  15           HH       TYR  15   7.219  -7.097   4.002
  124    H    ASP  16           H        ASP  16   5.598  -0.396  -0.708
  125    HA   ASP  16           HA       ASP  16   7.795  -2.151  -1.678
  126    HB2  ASP  16           2HB      ASP  16   5.603  -2.080  -2.952
  127    HB3  ASP  16           1HB      ASP  16   5.972  -0.410  -3.332
  128    HD2  ASP  16           HD2      ASP  16   7.434   0.032  -4.764
  129    H    LYS  17           H        LYS  17   7.132   1.360  -1.329
  130    HA   LYS  17           HA       LYS  17   9.746   2.114  -2.493
  131    HB2  LYS  17           2HB      LYS  17   7.704   3.616  -2.602
  132    HB3  LYS  17           1HB      LYS  17   7.746   3.783  -0.857
  133    HG2  LYS  17           2HG      LYS  17   8.648   5.772  -1.845
  134    HG3  LYS  17           1HG      LYS  17   9.960   4.969  -1.003
  135    HD2  LYS  17           2HD      LYS  17  10.815   4.052  -3.200
  136    HD3  LYS  17           1HD      LYS  17   9.487   4.809  -4.065
  137    HE2  LYS  17           2HE      LYS  17  11.635   6.349  -2.439
  138    HE3  LYS  17           1HE      LYS  17  11.723   6.041  -4.172
  139    HZ1  LYS  17           2HZ      LYS  17   9.607   7.617  -2.823
  140    HZ3  LYS  17           1HZ      LYS  17  10.853   8.222  -3.691
  141    H    VAL  18           H        VAL  18   8.752   0.751   0.389
  142    HA   VAL  18           HA       VAL  18  10.756   1.979   2.217
  143    HB   VAL  18           HB       VAL  18   8.384   0.268   2.914
  144   HG11  VAL  18          3HG2      VAL  18  10.052  -0.726   4.271
  145   HG12  VAL  18          1HG2      VAL  18   8.902   0.198   5.244
  146   HG13  VAL  18          2HG2      VAL  18  10.538   0.875   4.919
  147   HG21  VAL  18          1HG1      VAL  18   9.181   3.039   3.939
  148   HG22  VAL  18          2HG1      VAL  18   7.929   2.704   2.711
  149   HG23  VAL  18          3HG1      VAL  18   7.706   2.130   4.371
  150    H    LYS  19           H        LYS  19   9.805  -1.234   1.075
  151    HA   LYS  19           HA       LYS  19  12.190  -2.602   1.969
  152    HB2  LYS  19           1HB      LYS  19  10.015  -3.646   1.315
  153    HB3  LYS  19           2HB      LYS  19  10.289  -3.277  -0.371
  154    HG2  LYS  19           2HG      LYS  19  12.349  -4.982   1.158
  155    HG3  LYS  19           1HG      LYS  19  10.784  -5.681   0.786
  156    HD2  LYS  19           1HD      LYS  19  11.085  -5.270  -1.656
  157    HD3  LYS  19           2HD      LYS  19  12.652  -4.516  -1.370
  158    HE2  LYS  19           2HE      LYS  19  13.525  -6.689  -0.378
  159    HE3  LYS  19           1HE      LYS  19  11.954  -7.450  -0.669
  160    HZ1  LYS  19           2HZ      LYS  19  13.536  -7.910  -2.421
  161    HZ3  LYS  19           1HZ      LYS  19  13.749  -6.322  -2.746
  162    H    GLU  20           H        GLU  20  11.972  -0.239  -0.489
  163    HA   GLU  20           HA       GLU  20  14.145  -1.277  -2.218
  164    HB2  GLU  20           1HB      GLU  20  12.055  -0.501  -3.328
  165    HB3  GLU  20           2HB      GLU  20  12.326   1.063  -2.609
  166    HG2  GLU  20           2HG      GLU  20  12.987   1.187  -4.915
  167    HG3  GLU  20           1HG      GLU  20  14.428   1.379  -3.930
  168    HE2  GLU  20           HE2      GLU  20  15.884  -0.137  -3.919
  169    HN1  NH2  21           2HN      NH2  21  13.532   1.999  -1.042
  170    HN2  NH2  21           1HN      NH2  21  14.235   1.278   0.413
  Start of MODEL    5
    1    H1   ACE   1           3HA      ACE   1 -14.032  -4.564  -1.997
    2    H2   ACE   1           1HA      ACE   1 -12.380  -4.560  -2.662
    3    H3   ACE   1           2HA      ACE   1 -12.624  -4.449  -0.903
    4    H    GLU   1           H        GLU   1 -14.403  -2.593  -0.531
    5    HA   GLU   1           HA       GLU   1 -14.467  -0.278  -2.094
    6    HB2  GLU   1           2HB      GLU   1 -15.062  -0.586   0.906
    7    HB3  GLU   1           1HB      GLU   1 -15.532   0.766  -0.080
    8    HG2  GLU   1           1HG      GLU   1 -17.478  -0.381   0.011
    9    HG3  GLU   1           2HG      GLU   1 -16.879  -0.674  -1.610
   10    HE2  GLU   1           HE2      GLU   1 -16.919  -4.096  -1.271
   11    H    SER   2           H        SER   2 -14.152   1.850  -0.281
   12    HA   SER   2           HA       SER   2 -11.613   2.940  -0.891
   13    HB2  SER   2           1HB      SER   2 -13.710   4.151  -0.079
   14    HB3  SER   2           2HB      SER   2 -13.173   3.773   1.533
   15    HG   SER   2           HG       SER   2 -11.672   5.165  -0.427
   16    H    ALA   3           H        ALA   3 -12.537   1.537   2.148
   17    HA   ALA   3           HA       ALA   3  -9.751   1.645   3.185
   18    HB1  ALA   3           3HB      ALA   3 -11.755   1.939   4.744
   19    HB2  ALA   3           1HB      ALA   3 -12.198   0.227   4.452
   20    HB3  ALA   3           2HB      ALA   3 -10.682   0.630   5.310
   21    H    LYS   4           H        LYS   4 -10.606  -0.100   1.108
   22    HA   LYS   4           HA       LYS   4  -8.515  -2.140   1.470
   23    HB2  LYS   4           1HB      LYS   4 -11.383  -2.846   0.496
   24    HB3  LYS   4           2HB      LYS   4 -10.033  -3.951   0.277
   25    HG2  LYS   4           1HG      LYS   4  -9.731  -4.124   2.780
   26    HG3  LYS   4           2HG      LYS   4 -11.131  -3.074   3.014
   27    HD2  LYS   4           2HD      LYS   4 -12.594  -4.726   1.782
   28    HD3  LYS   4           1HD      LYS   4 -11.201  -5.787   1.546
   29    HE2  LYS   4           2HE      LYS   4 -10.945  -6.015   4.069
   30    HE3  LYS   4           1HE      LYS   4 -12.341  -4.952   4.305
   31    HZ1  LYS   4           2HZ      LYS   4 -12.368  -7.569   2.906
   32    HZ3  LYS   4           1HZ      LYS   4 -12.930  -7.281   4.414
   33    H    HIS   5           H        HIS   5  -9.279   0.210  -0.138
   34    HA   HIS   5           HA       HIS   5  -7.710  -0.529  -2.604
   35    HB2  HIS   5           1HB      HIS   5 -10.148   0.228  -3.059
   36    HB3  HIS   5           2HB      HIS   5  -9.740   1.804  -2.395
   37    HD2  HIS   5           HD2      HIS   5  -8.653  -0.660  -5.257
   38    HE1  HIS   5           HE1      HIS   5  -7.543   3.142  -6.528
   39    HE2  HIS   5           HE2      HIS   5  -7.651   0.697  -7.311
   40    H    MET   6           H        MET   6  -8.141   1.949  -0.023
   41    HA   MET   6           HA       MET   6  -5.634   3.322  -0.809
   42    HB2  MET   6           2HB      MET   6  -7.169   3.807   1.832
   43    HB3  MET   6           1HB      MET   6  -5.983   4.843   1.061
   44    HG2  MET   6           1HG      MET   6  -7.966   4.720  -0.920
   45    HG3  MET   6           2HG      MET   6  -8.935   4.579   0.542
   46    HE1  MET   6           3HE      MET   6 -10.115   6.974  -0.149
   47    HE2  MET   6           1HE      MET   6  -9.028   7.076  -1.570
   48    HE3  MET   6           2HE      MET   6  -9.169   8.461  -0.447
   49    H    PHE   7           H        PHE   7  -6.874   1.075   1.689
   50    HA   PHE   7           HA       PHE   7  -4.286   0.739   3.027
   51    HB2  PHE   7           1HB      PHE   7  -6.993  -0.593   3.042
   52    HB3  PHE   7           2HB      PHE   7  -5.734  -1.577   3.672
   53    HD1  PHE   7           HD1      PHE   7  -7.803   1.435   4.228
   54    HD2  PHE   7           HD2      PHE   7  -4.494  -0.837   5.779
   55    HE1  PHE   7           HE1      PHE   7  -7.986   2.622   6.345
   56    HE2  PHE   7           HE2      PHE   7  -4.673   0.358   7.899
   57    HZ   PHE   7           HZ       PHE   7  -6.425   2.099   8.219
   58    H    ASP   8           H        ASP   8  -5.988  -0.947   0.448
   59    HA   ASP   8           HA       ASP   8  -4.154  -3.121  -0.060
   60    HB2  ASP   8           2HB      ASP   8  -6.390  -2.741  -1.158
   61    HB3  ASP   8           1HB      ASP   8  -5.677  -1.601  -2.262
   62    HD2  ASP   8           HD2      ASP   8  -5.859  -4.794  -1.235
   63    H    ARG   9           H        ARG   9  -4.237   0.119  -1.573
   64    HA   ARG   9           HA       ARG   9  -1.650  -0.115  -2.934
   65    HB2  ARG   9           2HB      ARG   9  -3.455   2.307  -2.450
   66    HB3  ARG   9           1HB      ARG   9  -1.793   2.572  -2.917
   67    HG2  ARG   9           2HG      ARG   9  -3.092   2.650  -4.919
   68    HG3  ARG   9           1HG      ARG   9  -2.010   1.268  -4.980
   69    HD2  ARG   9           1HD      ARG   9  -4.003  -0.243  -4.341
   70    HD3  ARG   9           2HD      ARG   9  -5.058   1.179  -4.452
   71   HH11  ARG   9          2HH1      ARG   9  -5.411  -1.435  -5.242
   72   HH12  ARG   9          1HH1      ARG   9  -5.890  -2.186  -6.847
   73   HH21  ARG   9          1HH2      ARG   9  -4.436   0.319  -8.710
   74   HH22  ARG   9          2HH2      ARG   9  -5.374  -1.258  -8.675
   75    H    ILE  10           H        ILE  10  -2.473   1.733   0.079
   76    HA   ILE  10           HA       ILE  10   0.129   2.531   0.824
   77    HB   ILE  10           HB       ILE  10  -2.370   1.733   2.285
   78   HG12  ILE  10          2HG1      ILE  10  -1.054   4.490   1.979
   79   HG13  ILE  10          1HG1      ILE  10  -2.187   3.838   0.819
   80   HG21  ILE  10          1HG2      ILE  10  -0.775   1.244   4.002
   81   HG22  ILE  10          2HG2      ILE  10  -1.703   2.681   4.422
   82   HG23  ILE  10          3HG2      ILE  10  -0.015   2.860   3.827
   83   HD11  ILE  10          3HD1      ILE  10  -3.946   3.585   2.635
   84   HD12  ILE  10          1HD1      ILE  10  -2.886   4.549   3.693
   85   HD13  ILE  10          2HD1      ILE  10  -3.513   5.244   2.159
   86    H    GLY  11           H        GLY  11  -1.369  -0.548   1.477
   87    HA2  GLY  11           2HA      GLY  11   0.662  -1.871   2.990
   88    HA3  GLY  11           1HA      GLY  11  -0.494  -2.731   1.927
   89    H    LYS  12           H        LYS  12   0.582  -1.404  -0.436
   90    HA   LYS  12           HA       LYS  12   3.439  -2.249  -0.667
   91    HB2  LYS  12           2HB      LYS  12   1.871  -4.253  -1.323
   92    HB3  LYS  12           1HB      LYS  12   1.376  -3.311  -2.724
   93    HG2  LYS  12           2HG      LYS  12   3.776  -3.303  -3.542
   94    HG3  LYS  12           1HG      LYS  12   4.286  -4.154  -2.082
   95    HD2  LYS  12           1HD      LYS  12   2.827  -6.119  -2.728
   96    HD3  LYS  12           2HD      LYS  12   2.303  -5.255  -4.179
   97    HE2  LYS  12           2HE      LYS  12   4.710  -5.185  -5.008
   98    HE3  LYS  12           1HE      LYS  12   5.235  -6.050  -3.556
   99    HZ1  LYS  12           2HZ      LYS  12   4.924  -7.552  -5.376
  100    HZ3  LYS  12           1HZ      LYS  12   3.844  -7.906  -4.201
  101    H    ASP  13           H        ASP  13   2.547   0.255  -0.451
  102    HA   ASP  13           HA       ASP  13   3.864   1.468  -2.850
  103    HB2  ASP  13           1HB      ASP  13   1.256   1.932  -2.515
  104    HB3  ASP  13           2HB      ASP  13   1.779   2.888  -1.187
  105    HD2  ASP  13           HD2      ASP  13   2.968   4.640  -1.525
  106    H    VAL  14           H        VAL  14   3.044   1.955   0.568
  107    HA   VAL  14           HA       VAL  14   5.899   2.888   0.820
  108    HB   VAL  14           HB       VAL  14   5.531   4.303   2.639
  109   HG11  VAL  14          3HG2      VAL  14   5.506   5.174   0.316
  110   HG12  VAL  14          1HG2      VAL  14   4.521   6.207   1.401
  111   HG13  VAL  14          2HG2      VAL  14   3.733   5.062   0.267
  112   HG21  VAL  14          1HG1      VAL  14   2.482   3.839   2.266
  113   HG22  VAL  14          2HG1      VAL  14   3.440   3.314   3.666
  114   HG23  VAL  14          3HG1      VAL  14   3.202   5.055   3.368
  115    H    TYR  15           H        TYR  15   5.139   0.763   0.599
  116    HA   TYR  15           HA       TYR  15   6.633  -0.767   2.741
  117    HB2  TYR  15           2HB      TYR  15   4.248  -1.468   2.998
  118    HB3  TYR  15           1HB      TYR  15   4.156  -1.795   1.285
  119    HD1  TYR  15           HD2      TYR  15   5.890  -2.863   4.446
  120    HD2  TYR  15           HD1      TYR  15   5.028  -3.936   0.372
  121    HE1  TYR  15           HE2      TYR  15   6.805  -5.098   4.843
  122    HE2  TYR  15           HE1      TYR  15   5.948  -6.165   0.767
  123    HH   TYR  15           HH       TYR  15   6.878  -7.556   2.241
  124    H    ASP  16           H        ASP  16   5.610  -0.393  -0.684
  125    HA   ASP  16           HA       ASP  16   7.838  -2.127  -1.639
  126    HB2  ASP  16           1HB      ASP  16   5.614  -2.035  -2.908
  127    HB3  ASP  16           2HB      ASP  16   6.049  -0.398  -3.343
  128    HD2  ASP  16           HD2      ASP  16   8.272  -1.306  -5.835
  129    H    LYS  17           H        LYS  17   7.129   1.375  -1.306
  130    HA   LYS  17           HA       LYS  17   9.732   2.170  -2.465
  131    HB2  LYS  17           2HB      LYS  17   7.643   3.615  -2.534
  132    HB3  LYS  17           1HB      LYS  17   7.744   3.822  -0.789
  133    HG2  LYS  17           1HG      LYS  17   9.989   4.972  -1.077
  134    HG3  LYS  17           2HG      LYS  17   9.901   4.704  -2.820
  135    HD2  LYS  17           1HD      LYS  17   7.784   6.098  -2.920
  136    HD3  LYS  17           2HD      LYS  17   7.873   6.357  -1.173
  137    HE2  LYS  17           2HE      LYS  17  10.120   7.520  -1.459
  138    HE3  LYS  17           1HE      LYS  17  10.030   7.260  -3.208
  139    HZ1  LYS  17           2HZ      LYS  17   7.977   8.565  -3.228
  140    HZ3  LYS  17           1HZ      LYS  17   8.059   8.804  -1.613
  141    H    VAL  18           H        VAL  18   8.751   0.793   0.425
  142    HA   VAL  18           HA       VAL  18  10.745   2.035   2.255
  143    HB   VAL  18           HB       VAL  18   8.385   0.308   2.948
  144   HG11  VAL  18          1HG1      VAL  18  10.054  -0.683   4.304
  145   HG12  VAL  18          2HG1      VAL  18   8.898   0.234   5.277
  146   HG13  VAL  18          3HG1      VAL  18  10.531   0.919   4.958
  147   HG21  VAL  18          3HG2      VAL  18   7.693   2.161   4.403
  148   HG22  VAL  18          1HG2      VAL  18   9.161   3.082   3.975
  149   HG23  VAL  18          2HG2      VAL  18   7.915   2.737   2.744
  150    H    LYS  19           H        LYS  19   9.811  -1.186   1.118
  151    HA   LYS  19           HA       LYS  19  12.266  -2.490   1.990
  152    HB2  LYS  19           2HB      LYS  19  10.162  -3.261  -0.122
  153    HB3  LYS  19           1HB      LYS  19  11.511  -4.303   0.241
  154    HG2  LYS  19           1HG      LYS  19   9.407  -3.453   2.327
  155    HG3  LYS  19           2HG      LYS  19   9.377  -4.939   1.392
  156    HD2  LYS  19           2HD      LYS  19  11.607  -5.627   2.402
  157    HD3  LYS  19           1HD      LYS  19  11.601  -4.161   3.386
  158    HE2  LYS  19           1HE      LYS  19   9.428  -4.909   4.483
  159    HE3  LYS  19           2HE      LYS  19   9.461  -6.389   3.512
  160    HZ1  LYS  19           2HZ      LYS  19  11.597  -6.934   4.534
  161    HZ3  LYS  19           1HZ      LYS  19  11.569  -5.568   5.431
  162    H    GLU  20           H        GLU  20  11.998  -0.172  -0.423
  163    HA   GLU  20           HA       GLU  20  14.049  -1.302  -2.247
  164    HB2  GLU  20           2HB      GLU  20  11.946  -0.483  -3.266
  165    HB3  GLU  20           1HB      GLU  20  12.292   1.100  -2.601
  166    HG2  GLU  20           2HG      GLU  20  14.349   1.303  -4.028
  167    HG3  GLU  20           1HG      GLU  20  14.093  -0.326  -4.656
  168    HE2  GLU  20           HE2      GLU  20  12.404  -0.706  -5.904
  169    HN1  NH2  21           2HN      NH2  21  13.600   2.015  -1.122
  170    HN2  NH2  21           1HN      NH2  21  14.341   1.310   0.322
  Start of MODEL    6
    1    H1   ACE   1           3HA      ACE   1 -13.832  -4.705  -2.472
    2    H2   ACE   1           1HA      ACE   1 -12.053  -4.661  -2.363
    3    H3   ACE   1           2HA      ACE   1 -13.033  -4.611  -0.879
    4    H    GLU   1           H        GLU   1 -14.383  -2.719  -0.606
    5    HA   GLU   1           HA       GLU   1 -14.419  -0.422  -2.193
    6    HB2  GLU   1           2HB      GLU   1 -15.091  -0.704   0.794
    7    HB3  GLU   1           1HB      GLU   1 -15.546   0.635  -0.217
    8    HG2  GLU   1           2HG      GLU   1 -17.488  -0.523  -0.174
    9    HG3  GLU   1           1HG      GLU   1 -16.834  -0.841  -1.769
   10    HE2  GLU   1           HE2      GLU   1 -17.204  -3.779   1.040
   11    H    SER   2           H        SER   2 -14.171   1.725  -0.394
   12    HA   SER   2           HA       SER   2 -11.636   2.843  -0.962
   13    HB2  SER   2           2HB      SER   2 -13.766   4.028  -0.192
   14    HB3  SER   2           1HB      SER   2 -13.250   3.667   1.431
   15    HG   SER   2           HG       SER   2 -11.739   5.070  -0.514
   16    H    ALA   3           H        ALA   3 -12.596   1.437   2.064
   17    HA   ALA   3           HA       ALA   3  -9.834   1.597   3.152
   18    HB1  ALA   3           3HB      ALA   3 -10.787   0.575   5.264
   19    HB2  ALA   3           1HB      ALA   3 -11.871   1.862   4.668
   20    HB3  ALA   3           2HB      ALA   3 -12.278   0.140   4.378
   21    H    LYS   4           H        LYS   4 -10.600  -0.168   1.065
   22    HA   LYS   4           HA       LYS   4  -8.457  -2.131   1.485
   23    HB2  LYS   4           1HB      LYS   4 -10.928  -3.163   1.942
   24    HB3  LYS   4           2HB      LYS   4 -11.070  -3.160   0.189
   25    HG2  LYS   4           2HG      LYS   4  -8.913  -4.628   0.145
   26    HG3  LYS   4           1HG      LYS   4  -8.974  -4.683   1.895
   27    HD2  LYS   4           1HD      LYS   4 -11.127  -5.797  -0.035
   28    HD3  LYS   4           2HD      LYS   4  -9.861  -6.710   0.743
   29    HE2  LYS   4           2HE      LYS   4 -11.715  -7.229   2.068
   30    HE3  LYS   4           1HE      LYS   4 -10.861  -6.045   3.052
   31    HZ1  LYS   4           2HZ      LYS   4 -12.425  -4.358   2.204
   32    HZ3  LYS   4           1HZ      LYS   4 -13.197  -5.479   1.298
   33    H    HIS   5           H        HIS   5  -9.274   0.156  -0.156
   34    HA   HIS   5           HA       HIS   5  -7.666  -0.551  -2.600
   35    HB2  HIS   5           1HB      HIS   5 -10.110   0.111  -3.100
   36    HB3  HIS   5           2HB      HIS   5  -9.792   1.698  -2.408
   37    HD2  HIS   5           HD2      HIS   5  -8.058  -0.637  -5.107
   38    HE1  HIS   5           HE1      HIS   5  -8.050   3.222  -6.660
   39    HE2  HIS   5           HE2      HIS   5  -7.367   0.808  -7.224
   40    H    MET   6           H        MET   6  -8.174   1.921  -0.033
   41    HA   MET   6           HA       MET   6  -5.694   3.356  -0.799
   42    HB2  MET   6           2HB      MET   6  -7.293   3.815   1.810
   43    HB3  MET   6           1HB      MET   6  -6.115   4.877   1.061
   44    HG2  MET   6           1HG      MET   6  -8.054   4.685  -0.963
   45    HG3  MET   6           2HG      MET   6  -9.046   4.541   0.481
   46    HE1  MET   6           3HE      MET   6  -9.125   7.013  -1.678
   47    HE2  MET   6           1HE      MET   6  -9.328   8.409  -0.579
   48    HE3  MET   6           2HE      MET   6 -10.254   6.907  -0.291
   49    H    PHE   7           H        PHE   7  -6.921   1.118   1.720
   50    HA   PHE   7           HA       PHE   7  -4.338   0.825   3.077
   51    HB2  PHE   7           1HB      PHE   7  -7.021  -0.563   3.077
   52    HB3  PHE   7           2HB      PHE   7  -5.745  -1.500   3.743
   53    HD1  PHE   7           HD1      PHE   7  -4.552  -0.680   5.851
   54    HD2  PHE   7           HD2      PHE   7  -7.913   1.452   4.216
   55    HE1  PHE   7           HE1      PHE   7  -4.799   0.546   7.947
   56    HE2  PHE   7           HE2      PHE   7  -8.164   2.670   6.309
   57    HZ   PHE   7           HZ       PHE   7  -6.612   2.233   8.212
   58    H    ASP   8           H        ASP   8  -5.989  -0.929   0.501
   59    HA   ASP   8           HA       ASP   8  -4.092  -3.055   0.046
   60    HB2  ASP   8           2HB      ASP   8  -6.321  -2.764  -1.079
   61    HB3  ASP   8           1HB      ASP   8  -5.632  -1.627  -2.198
   62    HD2  ASP   8           HD2      ASP   8  -5.664  -4.803  -1.067
   63    H    ARG   9           H        ARG   9  -4.256   0.169  -1.497
   64    HA   ARG   9           HA       ARG   9  -1.696   0.066  -2.902
   65    HB2  ARG   9           2HB      ARG   9  -3.390   2.501  -2.060
   66    HB3  ARG   9           1HB      ARG   9  -1.877   2.678  -2.934
   67    HG2  ARG   9           2HG      ARG   9  -2.717   1.416  -4.877
   68    HG3  ARG   9           1HG      ARG   9  -4.218   1.012  -4.047
   69    HD2  ARG   9           1HD      ARG   9  -4.855   3.442  -3.931
   70    HD3  ARG   9           2HD      ARG   9  -3.348   3.917  -4.698
   71   HH11  ARG   9          1HH2      ARG   9  -2.363   3.625  -6.487
   72   HH12  ARG   9          2HH2      ARG   9  -2.591   3.580  -8.307
   73   HH21  ARG   9          2HH1      ARG   9  -5.886   2.601  -8.094
   74   HH22  ARG   9          1HH1      ARG   9  -4.453   3.039  -9.153
   75    H    ILE  10           H        ILE  10  -2.514   1.827   0.148
   76    HA   ILE  10           HA       ILE  10   0.081   2.655   0.895
   77    HB   ILE  10           HB       ILE  10  -2.416   1.826   2.346
   78   HG12  ILE  10          1HG1      ILE  10  -1.128   4.598   2.052
   79   HG13  ILE  10          2HG1      ILE  10  -2.247   3.938   0.886
   80   HG21  ILE  10          1HG2      ILE  10  -0.818   1.347   4.066
   81   HG22  ILE  10          2HG2      ILE  10  -0.082   2.976   3.901
   82   HG23  ILE  10          3HG2      ILE  10  -1.769   2.770   4.487
   83   HD11  ILE  10          3HD1      ILE  10  -2.975   4.625   3.757
   84   HD12  ILE  10          1HD1      ILE  10  -3.584   5.337   2.224
   85   HD13  ILE  10          2HD1      ILE  10  -4.020   3.671   2.674
   86    H    GLY  11           H        GLY  11  -1.388  -0.441   1.547
   87    HA2  GLY  11           1HA      GLY  11   0.680  -1.758   3.021
   88    HA3  GLY  11           2HA      GLY  11  -0.495  -2.609   1.972
   89    H    LYS  12           H        LYS  12   0.569  -1.223  -0.386
   90    HA   LYS  12           HA       LYS  12   3.393  -2.151  -0.694
   91    HB2  LYS  12           2HB      LYS  12   2.982  -3.461  -2.768
   92    HB3  LYS  12           1HB      LYS  12   2.112  -4.147  -1.413
   93    HG2  LYS  12           1HG      LYS  12  -0.026  -3.043  -2.225
   94    HG3  LYS  12           2HG      LYS  12   0.840  -2.375  -3.607
   95    HD2  LYS  12           2HD      LYS  12   1.373  -4.705  -4.410
   96    HD3  LYS  12           1HD      LYS  12   0.568  -5.391  -2.993
   97    HE2  LYS  12           2HE      LYS  12  -1.629  -4.330  -3.719
   98    HE3  LYS  12           1HE      LYS  12  -0.828  -3.649  -5.143
   99    HZ1  LYS  12           2HZ      LYS  12  -1.026  -6.545  -4.522
  100    HZ3  LYS  12           1HZ      LYS  12  -0.287  -5.918  -5.838
  101    H    ASP  13           H        ASP  13   2.531   0.397  -0.397
  102    HA   ASP  13           HA       ASP  13   3.870   1.629  -2.783
  103    HB2  ASP  13           2HB      ASP  13   1.283   2.167  -2.420
  104    HB3  ASP  13           1HB      ASP  13   1.844   3.069  -1.067
  105    HD2  ASP  13           HD2      ASP  13   2.371   4.433  -4.832
  106    H    VAL  14           H        VAL  14   3.089   2.073   0.652
  107    HA   VAL  14           HA       VAL  14   5.981   2.895   0.896
  108    HB   VAL  14           HB       VAL  14   5.678   4.263   2.763
  109   HG11  VAL  14          3HG2      VAL  14   4.716   6.235   1.591
  110   HG12  VAL  14          1HG2      VAL  14   5.669   5.207   0.474
  111   HG13  VAL  14          2HG2      VAL  14   3.894   5.148   0.424
  112   HG21  VAL  14          1HG1      VAL  14   3.383   5.067   3.538
  113   HG22  VAL  14          2HG1      VAL  14   3.565   3.310   3.779
  114   HG23  VAL  14          3HG1      VAL  14   2.613   3.911   2.406
  115    H    TYR  15           H        TYR  15   5.168   0.800   0.624
  116    HA   TYR  15           HA       TYR  15   6.652  -0.796   2.706
  117    HB2  TYR  15           1HB      TYR  15   4.277  -1.509   2.993
  118    HB3  TYR  15           2HB      TYR  15   4.150  -1.790   1.273
  119    HD1  TYR  15           HD1      TYR  15   5.996  -2.938   4.353
  120    HD2  TYR  15           HD2      TYR  15   4.952  -3.920   0.298
  121    HE1  TYR  15           HE1      TYR  15   7.005  -5.153   4.629
  122    HE2  TYR  15           HE2      TYR  15   5.967  -6.129   0.577
  123    HH   TYR  15           HH       TYR  15   7.056  -7.511   1.941
  124    H    ASP  16           H        ASP  16   5.597  -0.334  -0.698
  125    HA   ASP  16           HA       ASP  16   7.779  -2.087  -1.728
  126    HB2  ASP  16           1HB      ASP  16   5.574  -1.969  -2.979
  127    HB3  ASP  16           2HB      ASP  16   5.956  -0.295  -3.325
  128    HD2  ASP  16           HD2      ASP  16   7.409   0.164  -4.761
  129    H    LYS  17           H        LYS  17   7.151   1.417  -1.290
  130    HA   LYS  17           HA       LYS  17   9.767   2.194  -2.457
  131    HB2  LYS  17           1HB      LYS  17   7.743   3.789  -0.770
  132    HB3  LYS  17           2HB      LYS  17   9.224   4.475  -1.411
  133    HG2  LYS  17           1HG      LYS  17   8.511   4.164  -3.741
  134    HG3  LYS  17           2HG      LYS  17   7.086   3.250  -3.256
  135    HD2  LYS  17           2HD      LYS  17   6.209   5.271  -2.003
  136    HD3  LYS  17           1HD      LYS  17   7.581   6.220  -2.554
  137    HE2  LYS  17           1HE      LYS  17   5.491   4.877  -4.415
  138    HE3  LYS  17           2HE      LYS  17   5.417   6.548  -3.866
  139    HZ1  LYS  17           2HZ      LYS  17   7.543   6.962  -4.960
  140    HZ3  LYS  17           1HZ      LYS  17   7.631   5.414  -5.479
  141    H    VAL  18           H        VAL  18   8.787   0.752   0.394
  142    HA   VAL  18           HA       VAL  18  10.828   1.919   2.222
  143    HB   VAL  18           HB       VAL  18   8.425   0.249   2.916
  144   HG11  VAL  18          1HG1      VAL  18  10.591   0.806   4.920
  145   HG12  VAL  18          2HG1      VAL  18  10.077  -0.783   4.261
  146   HG13  VAL  18          3HG1      VAL  18   8.944   0.154   5.242
  147   HG21  VAL  18          3HG2      VAL  18   9.264   3.003   3.948
  148   HG22  VAL  18          1HG2      VAL  18   7.781   2.109   4.385
  149   HG23  VAL  18          2HG2      VAL  18   8.000   2.685   2.726
  150    H    LYS  19           H        LYS  19   9.791  -1.260   1.054
  151    HA   LYS  19           HA       LYS  19  12.163  -2.674   1.934
  152    HB2  LYS  19           1HB      LYS  19   9.857  -3.608   1.313
  153    HB3  LYS  19           2HB      LYS  19  10.263  -3.386  -0.385
  154    HG2  LYS  19           2HG      LYS  19  12.140  -5.056  -0.142
  155    HG3  LYS  19           1HG      LYS  19  11.840  -5.164   1.596
  156    HD2  LYS  19           1HD      LYS  19   9.499  -6.031   1.131
  157    HD3  LYS  19           2HD      LYS  19   9.813  -5.937  -0.605
  158    HE2  LYS  19           1HE      LYS  19  11.707  -7.615  -0.356
  159    HE3  LYS  19           2HE      LYS  19  11.405  -7.699   1.387
  160    HZ1  LYS  19           2HZ      LYS  19  10.318  -9.485   0.249
  161    HZ3  LYS  19           1HZ      LYS  19   9.189  -8.519   0.931
  162    H    GLU  20           H        GLU  20  11.974  -0.315  -0.497
  163    HA   GLU  20           HA       GLU  20  14.028  -1.452  -2.312
  164    HB2  GLU  20           2HB      GLU  20  11.938  -0.606  -3.342
  165    HB3  GLU  20           1HB      GLU  20  12.281   0.954  -2.640
  166    HG2  GLU  20           1HG      GLU  20  12.860   1.050  -4.969
  167    HG3  GLU  20           2HG      GLU  20  14.343   1.198  -4.039
  168    HE2  GLU  20           HE2      GLU  20  15.748  -0.364  -4.077
  169    HN1  NH2  21           2HN      NH2  21  13.605   1.854  -1.141
  170    HN2  NH2  21           1HN      NH2  21  14.332   1.117   0.294
  Start of MODEL    7
    1    H1   ACE   1           3HA      ACE   1 -12.608  -4.483  -0.911
    2    H2   ACE   1           1HA      ACE   1 -12.344  -4.615  -2.666
    3    H3   ACE   1           2HA      ACE   1 -14.003  -4.615  -2.020
    4    H    GLU   1           H        GLU   1 -14.401  -2.628  -0.587
    5    HA   GLU   1           HA       GLU   1 -14.446  -0.329  -2.177
    6    HB2  GLU   1           1HB      GLU   1 -15.084  -0.601   0.820
    7    HB3  GLU   1           2HB      GLU   1 -15.541   0.733  -0.181
    8    HG2  GLU   1           2HG      GLU   1 -17.489  -0.407  -0.111
    9    HG3  GLU   1           1HG      GLU   1 -16.864  -0.719  -1.719
   10    HE2  GLU   1           HE2      GLU   1 -17.108  -1.940   1.463
   11    H    SER   2           H        SER   2 -14.159   1.821  -0.383
   12    HA   SER   2           HA       SER   2 -11.613   2.905  -0.973
   13    HB2  SER   2           2HB      SER   2 -13.716   4.128  -0.203
   14    HB3  SER   2           1HB      SER   2 -13.204   3.767   1.420
   15    HG   SER   2           HG       SER   2 -11.670   5.134  -0.533
   16    H    ALA   3           H        ALA   3 -12.580   1.540   2.072
   17    HA   ALA   3           HA       ALA   3  -9.810   1.663   3.146
   18    HB1  ALA   3           3HB      ALA   3 -11.838   1.958   4.673
   19    HB2  ALA   3           1HB      ALA   3 -10.766   0.660   5.267
   20    HB3  ALA   3           2HB      ALA   3 -12.267   0.241   4.390
   21    H    LYS   4           H        LYS   4 -10.627  -0.110   1.075
   22    HA   LYS   4           HA       LYS   4  -8.527  -2.132   1.485
   23    HB2  LYS   4           1HB      LYS   4 -11.379  -2.869   0.485
   24    HB3  LYS   4           2HB      LYS   4 -10.019  -3.968   0.296
   25    HG2  LYS   4           2HG      LYS   4  -9.748  -4.111   2.805
   26    HG3  LYS   4           1HG      LYS   4 -11.156  -3.065   3.008
   27    HD2  LYS   4           2HD      LYS   4 -12.596  -4.762   1.767
   28    HD3  LYS   4           1HD      LYS   4 -11.184  -5.788   1.568
   29    HE2  LYS   4           1HE      LYS   4 -12.417  -6.712   3.405
   30    HE3  LYS   4           2HE      LYS   4 -10.971  -5.991   4.107
   31    HZ1  LYS   4           2HZ      LYS   4 -12.305  -4.074   4.749
   32    HZ3  LYS   4           1HZ      LYS   4 -12.913  -5.452   5.383
   33    H    HIS   5           H        HIS   5  -9.285   0.193  -0.157
   34    HA   HIS   5           HA       HIS   5  -7.683  -0.568  -2.589
   35    HB2  HIS   5           2HB      HIS   5 -10.100   0.123  -3.131
   36    HB3  HIS   5           1HB      HIS   5  -9.789   1.701  -2.416
   37    HD2  HIS   5           HD2      HIS   5  -7.884  -0.570  -5.055
   38    HE1  HIS   5           HE1      HIS   5  -8.022   3.278  -6.631
   39    HE2  HIS   5           HE2      HIS   5  -7.179   0.903  -7.148
   40    H    MET   6           H        MET   6  -8.153   1.918  -0.045
   41    HA   MET   6           HA       MET   6  -5.662   3.327  -0.823
   42    HB2  MET   6           2HB      MET   6  -7.229   3.827   1.795
   43    HB3  MET   6           1HB      MET   6  -6.065   4.876   1.008
   44    HG2  MET   6           1HG      MET   6  -8.019   4.683  -0.979
   45    HG3  MET   6           2HG      MET   6  -9.012   4.512   0.453
   46    HE1  MET   6           3HE      MET   6  -9.709   6.438   2.051
   47    HE2  MET   6           1HE      MET   6  -8.699   7.881   2.365
   48    HE3  MET   6           2HE      MET   6  -8.083   6.254   2.782
   49    H    PHE   7           H        PHE   7  -6.912   1.095   1.689
   50    HA   PHE   7           HA       PHE   7  -4.335   0.794   3.063
   51    HB2  PHE   7           1HB      PHE   7  -7.036  -0.551   3.071
   52    HB3  PHE   7           2HB      PHE   7  -5.779  -1.522   3.722
   53    HD1  PHE   7           HD1      PHE   7  -7.875   1.477   4.230
   54    HD2  PHE   7           HD2      PHE   7  -4.556  -0.745   5.829
   55    HE1  PHE   7           HE1      PHE   7  -8.088   2.683   6.333
   56    HE2  PHE   7           HE2      PHE   7  -4.764   0.468   7.936
   57    HZ   PHE   7           HZ       PHE   7  -6.536   2.195   8.224
   58    H    ASP   8           H        ASP   8  -6.008  -0.961   0.504
   59    HA   ASP   8           HA       ASP   8  -4.136  -3.108   0.050
   60    HB2  ASP   8           2HB      ASP   8  -6.375  -2.775  -1.057
   61    HB3  ASP   8           1HB      ASP   8  -5.666  -1.668  -2.194
   62    HD2  ASP   8           HD2      ASP   8  -5.127  -5.671  -2.450
   63    H    ARG   9           H        ARG   9  -4.261   0.117  -1.492
   64    HA   ARG   9           HA       ARG   9  -1.702  -0.032  -2.901
   65    HB2  ARG   9           2HB      ARG   9  -3.397   2.417  -2.109
   66    HB3  ARG   9           1HB      ARG   9  -1.856   2.586  -2.936
   67    HG2  ARG   9           2HG      ARG   9  -2.632   1.276  -4.880
   68    HG3  ARG   9           1HG      ARG   9  -4.180   0.935  -4.108
   69    HD2  ARG   9           2HD      ARG   9  -4.815   3.343  -4.134
   70    HD3  ARG   9           1HD      ARG   9  -3.208   3.801  -4.730
   71   HH11  ARG   9          1HH2      ARG   9  -4.785   5.266  -5.599
   72   HH12  ARG   9          2HH2      ARG   9  -5.444   5.695  -7.256
   73   HH21  ARG   9          1HH1      ARG   9  -5.133   2.483  -8.459
   74   HH22  ARG   9          2HH1      ARG   9  -5.627   4.223  -8.765
   75    H    ILE  10           H        ILE  10  -2.503   1.776   0.130
   76    HA   ILE  10           HA       ILE  10   0.096   2.585   0.880
   77    HB   ILE  10           HB       ILE  10  -2.408   1.781   2.330
   78   HG12  ILE  10          1HG1      ILE  10  -1.099   4.542   2.026
   79   HG13  ILE  10          2HG1      ILE  10  -2.222   3.886   0.861
   80   HG21  ILE  10          1HG2      ILE  10  -0.067   2.917   3.883
   81   HG22  ILE  10          2HG2      ILE  10  -1.757   2.731   4.467
   82   HG23  ILE  10          3HG2      ILE  10  -0.820   1.297   4.054
   83   HD11  ILE  10          3HD1      ILE  10  -3.553   5.297   2.192
   84   HD12  ILE  10          1HD1      ILE  10  -2.946   4.593   3.729
   85   HD13  ILE  10          2HD1      ILE  10  -3.997   3.637   2.654
   86    H    GLY  11           H        GLY  11  -1.392  -0.496   1.531
   87    HA2  GLY  11           1HA      GLY  11   0.641  -1.815   3.044
   88    HA3  GLY  11           2HA      GLY  11  -0.511  -2.675   1.975
   89    H    LYS  12           H        LYS  12   0.554  -1.350  -0.400
   90    HA   LYS  12           HA       LYS  12   3.406  -2.245  -0.649
   91    HB2  LYS  12           1HB      LYS  12   1.213  -3.241  -2.615
   92    HB3  LYS  12           2HB      LYS  12   2.939  -3.414  -2.885
   93    HG2  LYS  12           1HG      LYS  12   3.133  -4.874  -0.810
   94    HG3  LYS  12           2HG      LYS  12   1.395  -4.742  -0.590
   95    HD2  LYS  12           1HD      LYS  12   1.733  -6.835  -1.626
   96    HD3  LYS  12           2HD      LYS  12   1.016  -5.809  -2.861
   97    HE2  LYS  12           1HE      LYS  12   3.329  -5.474  -3.903
   98    HE3  LYS  12           2HE      LYS  12   4.042  -6.473  -2.628
   99    HZ1  LYS  12           2HZ      LYS  12   2.018  -7.362  -4.608
  100    HZ3  LYS  12           1HZ      LYS  12   3.614  -7.713  -4.644
  101    H    ASP  13           H        ASP  13   2.528   0.287  -0.376
  102    HA   ASP  13           HA       ASP  13   3.833   1.510  -2.787
  103    HB2  ASP  13           2HB      ASP  13   1.256   2.012  -2.428
  104    HB3  ASP  13           1HB      ASP  13   1.787   2.927  -1.071
  105    HD2  ASP  13           HD2      ASP  13   1.821   2.638  -4.410
  106    H    VAL  14           H        VAL  14   3.080   1.987   0.644
  107    HA   VAL  14           HA       VAL  14   5.962   2.855   0.853
  108    HB   VAL  14           HB       VAL  14   5.655   4.258   2.695
  109   HG11  VAL  14          1HG1      VAL  14   4.661   6.192   1.490
  110   HG12  VAL  14          2HG1      VAL  14   3.838   5.073   0.355
  111   HG13  VAL  14          3HG1      VAL  14   5.612   5.152   0.382
  112   HG21  VAL  14          3HG2      VAL  14   2.592   3.857   2.365
  113   HG22  VAL  14          1HG2      VAL  14   3.562   3.297   3.744
  114   HG23  VAL  14          2HG2      VAL  14   3.354   5.046   3.469
  115    H    TYR  15           H        TYR  15   5.169   0.745   0.623
  116    HA   TYR  15           HA       TYR  15   6.683  -0.813   2.723
  117    HB2  TYR  15           1HB      TYR  15   4.285  -1.493   2.994
  118    HB3  TYR  15           2HB      TYR  15   4.192  -1.817   1.279
  119    HD1  TYR  15           HD1      TYR  15   5.928  -2.897   4.434
  120    HD2  TYR  15           HD2      TYR  15   5.043  -3.963   0.366
  121    HE1  TYR  15           HE1      TYR  15   6.845  -5.134   4.824
  122    HE2  TYR  15           HE2      TYR  15   5.956  -6.199   0.756
  123    HH   TYR  15           HH       TYR  15   6.913  -7.585   2.218
  124    H    ASP  16           H        ASP  16   5.605  -0.411  -0.678
  125    HA   ASP  16           HA       ASP  16   7.801  -2.149  -1.690
  126    HB2  ASP  16           2HB      ASP  16   5.592  -2.075  -2.936
  127    HB3  ASP  16           1HB      ASP  16   5.951  -0.402  -3.308
  128    HD2  ASP  16           HD2      ASP  16   7.393   0.055  -4.757
  129    H    LYS  17           H        LYS  17   7.130   1.356  -1.315
  130    HA   LYS  17           HA       LYS  17   9.737   2.145  -2.489
  131    HB2  LYS  17           1HB      LYS  17   7.669   3.747  -0.865
  132    HB3  LYS  17           2HB      LYS  17   9.169   4.436  -1.456
  133    HG2  LYS  17           1HG      LYS  17   8.558   4.062  -3.811
  134    HG3  LYS  17           2HG      LYS  17   7.098   3.188  -3.357
  135    HD2  LYS  17           2HD      LYS  17   6.159   5.260  -2.255
  136    HD3  LYS  17           1HD      LYS  17   7.635   6.134  -2.637
  137    HE2  LYS  17           2HE      LYS  17   5.999   6.800  -4.271
  138    HE3  LYS  17           1HE      LYS  17   7.195   5.827  -5.123
  139    HZ1  LYS  17           2HZ      LYS  17   5.668   3.951  -5.018
  140    HZ3  LYS  17           1HZ      LYS  17   4.980   5.230  -5.769
  141    H    VAL  18           H        VAL  18   8.785   0.733   0.381
  142    HA   VAL  18           HA       VAL  18  10.802   1.968   2.192
  143    HB   VAL  18           HB       VAL  18   8.442   0.252   2.910
  144   HG11  VAL  18          1HG1      VAL  18   8.980   0.172   5.234
  145   HG12  VAL  18          2HG1      VAL  18  10.613   0.849   4.898
  146   HG13  VAL  18          3HG1      VAL  18  10.121  -0.749   4.247
  147   HG21  VAL  18          3HG2      VAL  18   9.247   3.021   3.934
  148   HG22  VAL  18          1HG2      VAL  18   7.983   2.686   2.717
  149   HG23  VAL  18          2HG2      VAL  18   7.778   2.108   4.379
  150    H    LYS  19           H        LYS  19   9.840  -1.245   1.051
  151    HA   LYS  19           HA       LYS  19  12.246  -2.597   1.922
  152    HB2  LYS  19           1HB      LYS  19  10.019  -3.657   1.267
  153    HB3  LYS  19           2HB      LYS  19  10.366  -3.302  -0.413
  154    HG2  LYS  19           2HG      LYS  19  10.778  -5.629  -0.000
  155    HG3  LYS  19           1HG      LYS  19  12.326  -4.888  -0.352
  156    HD2  LYS  19           1HD      LYS  19  12.872  -4.836   2.114
  157    HD3  LYS  19           2HD      LYS  19  11.304  -5.523   2.508
  158    HE2  LYS  19           1HE      LYS  19  13.461  -6.941   0.787
  159    HE3  LYS  19           2HE      LYS  19  13.267  -7.160   2.524
  160    HZ1  LYS  19           2HZ      LYS  19  11.021  -7.985   2.131
  161    HZ3  LYS  19           1HZ      LYS  19  11.181  -7.790   0.516
  162    H    GLU  20           H        GLU  20  12.001  -0.243  -0.516
  163    HA   GLU  20           HA       GLU  20  14.131  -1.303  -2.285
  164    HB2  GLU  20           1HB      GLU  20  12.018  -0.553  -3.358
  165    HB3  GLU  20           2HB      GLU  20  12.302   1.037  -2.688
  166    HG2  GLU  20           1HG      GLU  20  14.393   1.296  -4.070
  167    HG3  GLU  20           2HG      GLU  20  14.185  -0.338  -4.701
  168    HE2  GLU  20           HE2      GLU  20  12.963   2.803  -4.569
  169    HN1  NH2  21           2HN      NH2  21  13.509   1.982  -1.148
  170    HN2  NH2  21           1HN      NH2  21  14.276   1.309   0.299
  Start of MODEL    8
    1    H1   ACE   1           3HA      ACE   1 -12.465  -4.525  -1.197
    2    H2   ACE   1           1HA      ACE   1 -14.033  -4.692  -2.038
    3    H3   ACE   1           2HA      ACE   1 -12.522  -4.593  -2.974
    4    H    GLU   1           H        GLU   1 -14.359  -2.781  -0.560
    5    HA   GLU   1           HA       GLU   1 -14.668  -0.426  -2.022
    6    HB2  GLU   1           2HB      GLU   1 -14.939  -0.799   1.013
    7    HB3  GLU   1           1HB      GLU   1 -15.596   0.512   0.081
    8    HG2  GLU   1           1HG      GLU   1 -17.452  -0.741   0.357
    9    HG3  GLU   1           2HG      GLU   1 -16.986  -1.040  -1.307
   10    HE2  GLU   1           HE2      GLU   1 -16.839  -3.966   1.538
   11    H    SER   2           H        SER   2 -14.311   1.680  -0.299
   12    HA   SER   2           HA       SER   2 -11.861   2.870  -1.073
   13    HB2  SER   2           1HB      SER   2 -13.954   4.035  -0.221
   14    HB3  SER   2           2HB      SER   2 -13.357   3.719   1.386
   15    HG   SER   2           HG       SER   2 -11.431   4.820   0.824
   16    H    ALA   3           H        ALA   3 -12.596   1.601   2.086
   17    HA   ALA   3           HA       ALA   3  -9.736   1.802   2.970
   18    HB1  ALA   3           3HB      ALA   3 -11.645   2.201   4.612
   19    HB2  ALA   3           1HB      ALA   3 -10.556   0.910   5.189
   20    HB3  ALA   3           2HB      ALA   3 -12.124   0.482   4.446
   21    H    LYS   4           H        LYS   4 -10.680  -0.012   1.015
   22    HA   LYS   4           HA       LYS   4  -8.656  -2.119   1.409
   23    HB2  LYS   4           2HB      LYS   4 -11.505  -2.705   0.328
   24    HB3  LYS   4           1HB      LYS   4 -10.196  -3.866   0.181
   25    HG2  LYS   4           2HG      LYS   4 -10.019  -4.026   2.693
   26    HG3  LYS   4           1HG      LYS   4 -11.366  -2.897   2.858
   27    HD2  LYS   4           2HD      LYS   4 -12.868  -4.480   1.580
   28    HD3  LYS   4           1HD      LYS   4 -11.527  -5.621   1.416
   29    HE2  LYS   4           2HE      LYS   4 -11.392  -5.830   3.949
   30    HE3  LYS   4           1HE      LYS   4 -12.735  -4.688   4.114
   31    HZ1  LYS   4           2HZ      LYS   4 -13.510  -6.936   4.227
   32    HZ3  LYS   4           1HZ      LYS   4 -14.141  -6.220   2.900
   33    H    HIS   5           H        HIS   5  -9.386   0.256  -0.267
   34    HA   HIS   5           HA       HIS   5  -7.660  -0.456  -2.621
   35    HB2  HIS   5           2HB      HIS   5 -10.010   0.300  -3.289
   36    HB3  HIS   5           1HB      HIS   5  -9.781   1.806  -2.411
   37    HD2  HIS   5           HD2      HIS   5  -7.941  -0.185  -5.300
   38    HE1  HIS   5           HE1      HIS   5  -7.314   3.861  -6.035
   39    HE2  HIS   5           HE2      HIS   5  -6.810   1.526  -6.985
   40    H    MET   6           H        MET   6  -8.128   1.825   0.061
   41    HA   MET   6           HA       MET   6  -5.663   3.339  -0.605
   42    HB2  MET   6           1HB      MET   6  -6.065   4.667   1.458
   43    HB3  MET   6           2HB      MET   6  -7.430   4.796   0.353
   44    HG2  MET   6           1HG      MET   6  -8.898   3.708   1.811
   45    HG3  MET   6           2HG      MET   6  -7.629   2.820   2.662
   46    HE1  MET   6           3HE      MET   6  -9.233   5.320   5.352
   47    HE2  MET   6           1HE      MET   6  -9.039   3.608   4.872
   48    HE3  MET   6           2HE      MET   6 -10.122   4.683   3.937
   49    H    PHE   7           H        PHE   7  -6.913   1.007   1.787
   50    HA   PHE   7           HA       PHE   7  -4.337   0.606   3.110
   51    HB2  PHE   7           1HB      PHE   7  -7.076  -0.647   3.054
   52    HB3  PHE   7           2HB      PHE   7  -5.852  -1.732   3.603
   53    HD1  PHE   7           HD2      PHE   7  -4.489  -1.124   5.698
   54    HD2  PHE   7           HD1      PHE   7  -7.841   1.255   4.424
   55    HE1  PHE   7           HE2      PHE   7  -4.563  -0.051   7.886
   56    HE2  PHE   7           HE1      PHE   7  -7.916   2.325   6.607
   57    HZ   PHE   7           HZ       PHE   7  -6.281   1.687   8.379
   58    H    ASP   8           H        ASP   8  -5.987  -1.024   0.465
   59    HA   ASP   8           HA       ASP   8  -4.108  -3.133  -0.088
   60    HB2  ASP   8           1HB      ASP   8  -6.356  -2.740  -1.176
   61    HB3  ASP   8           2HB      ASP   8  -5.644  -1.591  -2.268
   62    HD2  ASP   8           HD2      ASP   8  -4.158  -3.961  -4.305
   63    H    ARG   9           H        ARG   9  -4.224   0.164  -1.508
   64    HA   ARG   9           HA       ARG   9  -1.610  -0.093  -2.818
   65    HB2  ARG   9           1HB      ARG   9  -1.557   2.193  -3.486
   66    HB3  ARG   9           2HB      ARG   9  -3.086   1.428  -3.869
   67    HG2  ARG   9           2HG      ARG   9  -3.954   2.586  -1.641
   68    HG3  ARG   9           1HG      ARG   9  -2.505   3.570  -1.740
   69    HD2  ARG   9           1HD      ARG   9  -3.202   4.370  -4.046
   70    HD3  ARG   9           2HD      ARG   9  -4.627   3.314  -3.989
   71   HH11  ARG   9          1HH2      ARG   9  -5.136   5.273  -5.155
   72   HH12  ARG   9          2HH2      ARG   9  -6.267   6.701  -4.931
   73   HH21  ARG   9          2HH1      ARG   9  -5.985   6.673  -1.498
   74   HH22  ARG   9          1HH1      ARG   9  -6.713   7.439  -2.998
   75    H    ILE  10           H        ILE  10  -2.496   1.708   0.219
   76    HA   ILE  10           HA       ILE  10   0.086   2.524   1.000
   77    HB   ILE  10           HB       ILE  10  -2.411   1.645   2.421
   78   HG12  ILE  10          2HG1      ILE  10  -1.127   4.426   2.210
   79   HG13  ILE  10          1HG1      ILE  10  -2.247   3.796   1.026
   80   HG21  ILE  10          1HG2      ILE  10  -0.827   1.120   4.137
   81   HG22  ILE  10          2HG2      ILE  10  -1.783   2.528   4.591
   82   HG23  ILE  10          3HG2      ILE  10  -0.092   2.754   4.025
   83   HD11  ILE  10          3HD1      ILE  10  -2.960   4.425   3.914
   84   HD12  ILE  10          1HD1      ILE  10  -3.606   5.136   2.394
   85   HD13  ILE  10          2HD1      ILE  10  -4.004   3.460   2.842
   86    H    GLY  11           H        GLY  11  -1.370  -0.598   1.566
   87    HA2  GLY  11           2HA      GLY  11   0.691  -1.923   3.042
   88    HA3  GLY  11           1HA      GLY  11  -0.460  -2.774   1.967
   89    H    LYS  12           H        LYS  12   0.617  -1.352  -0.347
   90    HA   LYS  12           HA       LYS  12   3.472  -2.197  -0.622
   91    HB2  LYS  12           1HB      LYS  12   1.845  -4.147  -1.357
   92    HB3  LYS  12           2HB      LYS  12   1.396  -3.136  -2.724
   93    HG2  LYS  12           1HG      LYS  12   3.824  -3.191  -3.516
   94    HG3  LYS  12           2HG      LYS  12   4.265  -4.088  -2.073
   95    HD2  LYS  12           1HD      LYS  12   4.144  -5.677  -3.836
   96    HD3  LYS  12           2HD      LYS  12   2.763  -5.999  -2.796
   97    HE2  LYS  12           2HE      LYS  12   1.248  -4.768  -4.450
   98    HE3  LYS  12           1HE      LYS  12   2.653  -4.420  -5.469
   99    HZ1  LYS  12           2HZ      LYS  12   2.981  -6.787  -5.759
  100    HZ3  LYS  12           1HZ      LYS  12   1.486  -6.343  -6.247
  101    H    ASP  13           H        ASP  13   2.533   0.323  -0.340
  102    HA   ASP  13           HA       ASP  13   3.886   1.610  -2.684
  103    HB2  ASP  13           2HB      ASP  13   1.271   2.074  -2.348
  104    HB3  ASP  13           1HB      ASP  13   1.796   2.985  -0.989
  105    HD2  ASP  13           HD2      ASP  13   1.868   2.688  -4.331
  106    H    VAL  14           H        VAL  14   3.047   1.992   0.744
  107    HA   VAL  14           HA       VAL  14   5.902   2.920   1.038
  108    HB   VAL  14           HB       VAL  14   5.516   4.280   2.905
  109   HG11  VAL  14          3HG2      VAL  14   4.498   6.215   1.728
  110   HG12  VAL  14          1HG2      VAL  14   3.722   5.104   0.552
  111   HG13  VAL  14          2HG2      VAL  14   5.494   5.225   0.612
  112   HG21  VAL  14          1HG1      VAL  14   3.434   3.233   3.888
  113   HG22  VAL  14          2HG1      VAL  14   2.472   3.809   2.510
  114   HG23  VAL  14          3HG1      VAL  14   3.187   4.983   3.659
  115    H    TYR  15           H        TYR  15   5.116   0.791   0.748
  116    HA   TYR  15           HA       TYR  15   6.600  -0.781   2.845
  117    HB2  TYR  15           1HB      TYR  15   4.233  -1.540   3.080
  118    HB3  TYR  15           2HB      TYR  15   4.163  -1.828   1.358
  119    HD1  TYR  15           HD1      TYR  15   5.934  -2.929   4.498
  120    HD2  TYR  15           HD2      TYR  15   5.049  -3.938   0.412
  121    HE1  TYR  15           HE1      TYR  15   6.974  -5.125   4.813
  122    HE2  TYR  15           HE2      TYR  15   6.095  -6.128   0.730
  123    HH   TYR  15           HH       TYR  15   7.155  -7.489   2.137
  124    H    ASP  16           H        ASP  16   5.646  -0.332  -0.562
  125    HA   ASP  16           HA       ASP  16   7.989  -1.977  -1.431
  126    HB2  ASP  16           1HB      ASP  16   5.771  -2.082  -2.758
  127    HB3  ASP  16           2HB      ASP  16   6.119  -0.435  -3.234
  128    HD2  ASP  16           HD2      ASP  16   8.414  -1.276  -5.674
  129    H    LYS  17           H        LYS  17   7.142   1.474  -1.103
  130    HA   LYS  17           HA       LYS  17   9.662   2.332  -2.342
  131    HB2  LYS  17           2HB      LYS  17   7.581   3.775  -2.158
  132    HB3  LYS  17           1HB      LYS  17   7.810   3.874  -0.415
  133    HG2  LYS  17           1HG      LYS  17  10.022   5.059  -0.800
  134    HG3  LYS  17           2HG      LYS  17   9.802   4.903  -2.544
  135    HD2  LYS  17           2HD      LYS  17   7.678   6.267  -2.395
  136    HD3  LYS  17           1HD      LYS  17   7.880   6.438  -0.659
  137    HE2  LYS  17           2HE      LYS  17   9.894   7.484  -2.774
  138    HE3  LYS  17           1HE      LYS  17   8.609   8.449  -2.052
  139    HZ1  LYS  17           2HZ      LYS  17   9.609   8.080   0.127
  140    HZ3  LYS  17           1HZ      LYS  17  10.810   7.182  -0.524
  141    H    VAL  18           H        VAL  18   8.887   0.937   0.810
  142    HA   VAL  18           HA       VAL  18  11.272   2.082   2.113
  143    HB   VAL  18           HB       VAL  18  10.656   1.324   4.107
  144   HG11  VAL  18          3HG2      VAL  18   7.934   2.095   2.941
  145   HG12  VAL  18          1HG2      VAL  18   8.362   2.198   4.661
  146   HG13  VAL  18          2HG2      VAL  18   9.184   3.240   3.472
  147   HG21  VAL  18          1HG1      VAL  18   8.712  -0.157   4.803
  148   HG22  VAL  18          2HG1      VAL  18   8.652  -0.658   3.091
  149   HG23  VAL  18          3HG1      VAL  18  10.107  -0.945   4.047
  150    H    LYS  19           H        LYS  19   9.958  -1.051   1.397
  151    HA   LYS  19           HA       LYS  19  12.332  -2.611   1.851
  152    HB2  LYS  19           1HB      LYS  19   9.944  -3.434   1.541
  153    HB3  LYS  19           2HB      LYS  19  10.111  -3.224  -0.199
  154    HG2  LYS  19           2HG      LYS  19  11.918  -4.985  -0.227
  155    HG3  LYS  19           1HG      LYS  19  11.858  -5.095   1.536
  156    HD2  LYS  19           1HD      LYS  19   9.433  -5.831   1.404
  157    HD3  LYS  19           2HD      LYS  19   9.500  -5.732  -0.358
  158    HE2  LYS  19           1HE      LYS  19  11.312  -7.516  -0.391
  159    HE3  LYS  19           2HE      LYS  19  11.257  -7.605   1.376
  160    HZ1  LYS  19           2HZ      LYS  19   9.919  -9.309   0.330
  161    HZ3  LYS  19           1HZ      LYS  19   9.005  -8.208  -0.461
  162    H    GLU  20           H        GLU  20  11.938  -0.304  -0.622
  163    HA   GLU  20           HA       GLU  20  13.813  -1.525  -2.572
  164    HB2  GLU  20           1HB      GLU  20  11.647  -0.709  -3.402
  165    HB3  GLU  20           2HB      GLU  20  12.064   0.902  -2.863
  166    HG2  GLU  20           1HG      GLU  20  13.639  -0.738  -4.935
  167    HG3  GLU  20           2HG      GLU  20  12.291   0.320  -5.349
  168    HE2  GLU  20           HE2      GLU  20  12.449   2.463  -4.739
  169    HN1  NH2  21           2HN      NH2  21  14.364   1.137  -0.095
  170    HN2  NH2  21           1HN      NH2  21  13.533   1.827  -1.497
  Start of MODEL    9
    1    H1   ACE   1           3HA      ACE   1 -12.711  -4.657  -3.403
    2    H2   ACE   1           1HA      ACE   1 -13.507  -4.853  -1.824
    3    H3   ACE   1           2HA      ACE   1 -11.755  -4.507  -1.909
    4    H    GLU   1           H        GLU   1 -14.127  -3.012  -0.735
    5    HA   GLU   1           HA       GLU   1 -14.612  -0.618  -2.074
    6    HB2  GLU   1           2HB      GLU   1 -14.755  -1.087   0.951
    7    HB3  GLU   1           1HB      GLU   1 -15.528   0.189   0.067
    8    HG2  GLU   1           1HG      GLU   1 -17.289  -1.181   0.380
    9    HG3  GLU   1           2HG      GLU   1 -16.859  -1.426  -1.303
   10    HE2  GLU   1           HE2      GLU   1 -16.480  -2.640   1.872
   11    H    SER   2           H        SER   2 -14.328   1.453  -0.371
   12    HA   SER   2           HA       SER   2 -11.923   2.751  -1.134
   13    HB2  SER   2           2HB      SER   2 -14.066   3.841  -0.324
   14    HB3  SER   2           1HB      SER   2 -13.489   3.555   1.296
   15    HG   SER   2           HG       SER   2 -12.909   5.602   0.511
   16    H    ALA   3           H        ALA   3 -12.641   1.505   2.036
   17    HA   ALA   3           HA       ALA   3  -9.790   1.800   2.931
   18    HB1  ALA   3           3HB      ALA   3 -12.161   0.471   4.423
   19    HB2  ALA   3           1HB      ALA   3 -10.604   0.942   5.164
   20    HB3  ALA   3           2HB      ALA   3 -11.711   2.202   4.550
   21    H    LYS   4           H        LYS   4 -10.662  -0.058   1.002
   22    HA   LYS   4           HA       LYS   4  -8.602  -2.107   1.452
   23    HB2  LYS   4           2HB      LYS   4 -11.041  -3.026   1.941
   24    HB3  LYS   4           1HB      LYS   4 -11.331  -2.888   0.212
   25    HG2  LYS   4           2HG      LYS   4  -9.541  -4.606  -0.230
   26    HG3  LYS   4           1HG      LYS   4  -9.122  -4.644   1.483
   27    HD2  LYS   4           1HD      LYS   4 -11.403  -5.503   2.055
   28    HD3  LYS   4           2HD      LYS   4 -11.911  -5.418   0.378
   29    HE2  LYS   4           1HE      LYS   4  -9.604  -7.212   1.417
   30    HE3  LYS   4           2HE      LYS   4 -11.272  -7.743   1.219
   31    HZ1  LYS   4           2HZ      LYS   4  -9.565  -6.737  -0.986
   32    HZ3  LYS   4           1HZ      LYS   4 -11.114  -7.234  -1.147
   33    H    HIS   5           H        HIS   5  -9.368   0.209  -0.269
   34    HA   HIS   5           HA       HIS   5  -7.620  -0.495  -2.605
   35    HB2  HIS   5           2HB      HIS   5 -10.030   0.198  -3.214
   36    HB3  HIS   5           1HB      HIS   5  -9.746   1.764  -2.461
   37    HD2  HIS   5           HD2      HIS   5  -7.669  -0.433  -5.031
   38    HE1  HIS   5           HE1      HIS   5  -7.921   3.400  -6.629
   39    HE2  HIS   5           HE2      HIS   5  -6.951   1.065  -7.102
   40    H    MET   6           H        MET   6  -8.149   1.808   0.043
   41    HA   MET   6           HA       MET   6  -5.710   3.372  -0.629
   42    HB2  MET   6           2HB      MET   6  -6.169   4.721   1.416
   43    HB3  MET   6           1HB      MET   6  -7.520   4.810   0.290
   44    HG2  MET   6           2HG      MET   6  -8.987   3.703   1.738
   45    HG3  MET   6           1HG      MET   6  -7.709   2.868   2.629
   46    HE1  MET   6           3HE      MET   6  -9.193   3.668   4.790
   47    HE2  MET   6           1HE      MET   6 -10.279   4.701   3.811
   48    HE3  MET   6           2HE      MET   6  -9.434   5.385   5.231
   49    H    PHE   7           H        PHE   7  -6.961   1.066   1.797
   50    HA   PHE   7           HA       PHE   7  -4.399   0.704   3.158
   51    HB2  PHE   7           1HB      PHE   7  -7.108  -0.606   3.091
   52    HB3  PHE   7           2HB      PHE   7  -5.861  -1.644   3.689
   53    HD1  PHE   7           HD2      PHE   7  -4.556  -0.951   5.787
   54    HD2  PHE   7           HD1      PHE   7  -7.942   1.314   4.398
   55    HE1  PHE   7           HE2      PHE   7  -4.695   0.171   7.946
   56    HE2  PHE   7           HE1      PHE   7  -8.082   2.432   6.554
   57    HZ   PHE   7           HZ       PHE   7  -6.463   1.877   8.368
   58    H    ASP   8           H        ASP   8  -5.998  -1.011   0.525
   59    HA   ASP   8           HA       ASP   8  -4.062  -3.079   0.020
   60    HB2  ASP   8           2HB      ASP   8  -6.290  -2.772  -1.119
   61    HB3  ASP   8           1HB      ASP   8  -5.604  -1.596  -2.196
   62    HD2  ASP   8           HD2      ASP   8  -4.220  -2.222  -3.665
   63    H    ARG   9           H        ARG   9  -4.248   0.200  -1.405
   64    HA   ARG   9           HA       ARG   9  -1.668   0.152  -2.787
   65    HB2  ARG   9           2HB      ARG   9  -3.435   2.533  -1.946
   66    HB3  ARG   9           1HB      ARG   9  -1.877   2.773  -2.722
   67    HG2  ARG   9           1HG      ARG   9  -2.565   1.511  -4.733
   68    HG3  ARG   9           2HG      ARG   9  -4.129   1.116  -4.020
   69    HD2  ARG   9           1HD      ARG   9  -4.809   3.511  -3.986
   70    HD3  ARG   9           2HD      ARG   9  -3.191   4.021  -4.506
   71   HH11  ARG   9          1HH2      ARG   9  -4.779   5.485  -5.370
   72   HH12  ARG   9          2HH2      ARG   9  -5.391   5.965  -7.032
   73   HH21  ARG   9          2HH1      ARG   9  -4.955   2.813  -8.349
   74   HH22  ARG   9          1HH1      ARG   9  -5.483   4.552  -8.603
   75    H    ILE  10           H        ILE  10  -2.541   1.821   0.301
   76    HA   ILE  10           HA       ILE  10   0.033   2.651   1.109
   77    HB   ILE  10           HB       ILE  10  -2.474   1.747   2.495
   78   HG12  ILE  10          2HG1      ILE  10  -1.208   4.538   2.318
   79   HG13  ILE  10          1HG1      ILE  10  -2.304   3.908   1.112
   80   HG21  ILE  10          1HG2      ILE  10  -0.897   1.224   4.221
   81   HG22  ILE  10          2HG2      ILE  10  -1.870   2.620   4.676
   82   HG23  ILE  10          3HG2      ILE  10  -0.176   2.865   4.126
   83   HD11  ILE  10          3HD1      ILE  10  -4.097   3.561   2.875
   84   HD12  ILE  10          1HD1      ILE  10  -3.075   4.495   3.996
   85   HD13  ILE  10          2HD1      ILE  10  -3.678   5.245   2.479
   86    H    GLY  11           H        GLY  11  -1.406  -0.483   1.640
   87    HA2  GLY  11           1HA      GLY  11   0.669  -1.810   3.097
   88    HA3  GLY  11           2HA      GLY  11  -0.493  -2.650   2.022
   89    H    LYS  12           H        LYS  12   0.585  -1.186  -0.288
   90    HA   LYS  12           HA       LYS  12   3.417  -2.096  -0.592
   91    HB2  LYS  12           2HB      LYS  12   3.033  -3.333  -2.712
   92    HB3  LYS  12           1HB      LYS  12   2.136  -4.060  -1.397
   93    HG2  LYS  12           2HG      LYS  12   0.020  -2.908  -2.208
   94    HG3  LYS  12           1HG      LYS  12   0.916  -2.210  -3.555
   95    HD2  LYS  12           2HD      LYS  12   1.436  -4.520  -4.418
   96    HD3  LYS  12           1HD      LYS  12   0.608  -5.240  -3.032
   97    HE2  LYS  12           1HE      LYS  12  -1.571  -4.140  -3.753
   98    HE3  LYS  12           2HE      LYS  12  -0.748  -3.425  -5.147
   99    HZ1  LYS  12           2HZ      LYS  12  -1.894  -5.466  -5.702
  100    HZ3  LYS  12           1HZ      LYS  12  -1.042  -6.328  -4.604
  101    H    ASP  13           H        ASP  13   2.516   0.453  -0.226
  102    HA   ASP  13           HA       ASP  13   3.870   1.766  -2.565
  103    HB2  ASP  13           1HB      ASP  13   1.284   2.289  -2.196
  104    HB3  ASP  13           2HB      ASP  13   1.834   3.138  -0.806
  105    HD2  ASP  13           HD2      ASP  13   1.975   2.953  -4.167
  106    H    VAL  14           H        VAL  14   3.091   2.112   0.882
  107    HA   VAL  14           HA       VAL  14   5.988   2.927   1.138
  108    HB   VAL  14           HB       VAL  14   5.693   4.249   3.045
  109   HG11  VAL  14          1HG1      VAL  14   3.888   5.191   0.746
  110   HG12  VAL  14          2HG1      VAL  14   4.714   6.248   1.938
  111   HG13  VAL  14          3HG1      VAL  14   5.663   5.256   0.785
  112   HG21  VAL  14          3HG2      VAL  14   3.594   3.253   4.047
  113   HG22  VAL  14          1HG2      VAL  14   2.626   3.899   2.704
  114   HG23  VAL  14          2HG2      VAL  14   3.407   5.017   3.867
  115    H    TYR  15           H        TYR  15   5.143   0.832   0.817
  116    HA   TYR  15           HA       TYR  15   6.624  -0.808   2.857
  117    HB2  TYR  15           1HB      TYR  15   4.237  -1.512   3.119
  118    HB3  TYR  15           2HB      TYR  15   4.143  -1.791   1.396
  119    HD1  TYR  15           HD1      TYR  15   5.928  -2.939   4.513
  120    HD2  TYR  15           HD2      TYR  15   4.972  -3.918   0.435
  121    HE1  TYR  15           HE1      TYR  15   6.918  -5.161   4.813
  122    HE2  TYR  15           HE2      TYR  15   5.969  -6.134   0.739
  123    HH   TYR  15           HH       TYR  15   7.414  -7.113   3.853
  124    H    ASP  16           H        ASP  16   5.632  -0.289  -0.525
  125    HA   ASP  16           HA       ASP  16   7.915  -1.989  -1.446
  126    HB2  ASP  16           2HB      ASP  16   5.667  -2.051  -2.728
  127    HB3  ASP  16           1HB      ASP  16   6.037  -0.408  -3.206
  128    HD2  ASP  16           HD2      ASP  16   7.513  -0.046  -4.643
  129    H    LYS  17           H        LYS  17   7.149   1.474  -1.056
  130    HA   LYS  17           HA       LYS  17   9.666   2.290  -2.359
  131    HB2  LYS  17           1HB      LYS  17   7.760   3.822  -0.486
  132    HB3  LYS  17           2HB      LYS  17   9.212   4.540  -1.158
  133    HG2  LYS  17           1HG      LYS  17   8.421   4.328  -3.467
  134    HG3  LYS  17           2HG      LYS  17   7.023   3.377  -2.979
  135    HD2  LYS  17           1HD      LYS  17   6.149   5.341  -1.629
  136    HD3  LYS  17           2HD      LYS  17   7.527   6.309  -2.167
  137    HE2  LYS  17           2HE      LYS  17   6.775   6.012  -4.587
  138    HE3  LYS  17           1HE      LYS  17   5.398   5.045  -4.035
  139    HZ1  LYS  17           2HZ      LYS  17   5.921   7.880  -3.331
  140    HZ3  LYS  17           1HZ      LYS  17   4.812   7.347  -4.408
  141    H    VAL  18           H        VAL  18   8.915   0.884   0.788
  142    HA   VAL  18           HA       VAL  18  11.340   1.989   2.050
  143    HB   VAL  18           HB       VAL  18  10.733   1.244   4.056
  144   HG11  VAL  18          1HG1      VAL  18   8.453   2.146   4.638
  145   HG12  VAL  18          2HG1      VAL  18   9.282   3.184   3.450
  146   HG13  VAL  18          3HG1      VAL  18   8.013   2.063   2.920
  147   HG21  VAL  18          3HG2      VAL  18   8.766  -0.209   4.762
  148   HG22  VAL  18          1HG2      VAL  18   8.686  -0.700   3.049
  149   HG23  VAL  18          2HG2      VAL  18  10.143  -1.017   3.994
  150    H    LYS  19           H        LYS  19   9.953  -1.122   1.360
  151    HA   LYS  19           HA       LYS  19  12.312  -2.721   1.769
  152    HB2  LYS  19           1HB      LYS  19   9.901  -3.501   1.523
  153    HB3  LYS  19           2HB      LYS  19  10.030  -3.304  -0.222
  154    HG2  LYS  19           2HG      LYS  19  11.802  -5.098  -0.282
  155    HG3  LYS  19           1HG      LYS  19  11.782  -5.198   1.482
  156    HD2  LYS  19           1HD      LYS  19   9.342  -5.889   1.411
  157    HD3  LYS  19           2HD      LYS  19   9.368  -5.799  -0.353
  158    HE2  LYS  19           1HE      LYS  19  11.144  -7.617  -0.421
  159    HE3  LYS  19           2HE      LYS  19  11.130  -7.698   1.348
  160    HZ1  LYS  19           2HZ      LYS  19   9.735  -9.380   0.341
  161    HZ3  LYS  19           1HZ      LYS  19   8.825  -8.265  -0.433
  162    H    GLU  20           H        GLU  20  11.909  -0.417  -0.688
  163    HA   GLU  20           HA       GLU  20  13.707  -1.690  -2.682
  164    HB2  GLU  20           1HB      GLU  20  11.561  -0.848  -3.515
  165    HB3  GLU  20           2HB      GLU  20  11.978   0.749  -2.932
  166    HG2  GLU  20           2HG      GLU  20  13.904   0.870  -4.564
  167    HG3  GLU  20           1HG      GLU  20  13.547  -0.770  -5.110
  168    HE2  GLU  20           HE2      GLU  20  11.324   2.403  -6.283
  169    HN1  NH2  21           2HN      NH2  21  13.500   1.679  -1.649
  170    HN2  NH2  21           1HN      NH2  21  14.369   1.001  -0.264
  Start of MODEL   10
    1    H1   ACE   1           3HA      ACE   1 -12.968  -4.612  -0.594
    2    H2   ACE   1           1HA      ACE   1 -12.543  -4.887  -2.300
    3    H3   ACE   1           2HA      ACE   1 -14.255  -4.741  -1.828
    4    H    GLU   1           H        GLU   1 -14.567  -2.642  -0.497
    5    HA   GLU   1           HA       GLU   1 -14.438  -0.470  -2.264
    6    HB2  GLU   1           1HB      GLU   1 -15.276  -0.563   0.694
    7    HB3  GLU   1           2HB      GLU   1 -15.604   0.755  -0.384
    8    HG2  GLU   1           1HG      GLU   1 -17.602  -0.312  -0.407
    9    HG3  GLU   1           2HG      GLU   1 -16.886  -0.708  -1.956
   10    HE2  GLU   1           HE2      GLU   1 -17.385  -1.797   1.242
   11    H    SER   2           H        SER   2 -14.183   1.754  -0.515
   12    HA   SER   2           HA       SER   2 -11.637   2.850  -1.041
   13    HB2  SER   2           1HB      SER   2 -13.757   4.038  -0.261
   14    HB3  SER   2           2HB      SER   2 -13.253   3.645   1.358
   15    HG   SER   2           HG       SER   2 -11.716   5.065  -0.555
   16    H    ALA   3           H        ALA   3 -12.626   1.391   1.952
   17    HA   ALA   3           HA       ALA   3  -9.880   1.521   3.084
   18    HB1  ALA   3           3HB      ALA   3 -11.941   1.730   4.572
   19    HB2  ALA   3           1HB      ALA   3 -10.860   0.430   5.146
   20    HB3  ALA   3           2HB      ALA   3 -12.335   0.016   4.225
   21    H    LYS   4           H        LYS   4 -10.585  -0.164   0.930
   22    HA   LYS   4           HA       LYS   4  -8.450  -2.136   1.290
   23    HB2  LYS   4           2HB      LYS   4 -10.822  -3.248   1.779
   24    HB3  LYS   4           1HB      LYS   4 -11.137  -3.051   0.070
   25    HG2  LYS   4           1HG      LYS   4 -10.500  -5.373   0.585
   26    HG3  LYS   4           2HG      LYS   4  -9.332  -4.666  -0.501
   27    HD2  LYS   4           2HD      LYS   4  -8.160  -6.019   1.117
   28    HD3  LYS   4           1HD      LYS   4  -7.702  -4.344   1.380
   29    HE2  LYS   4           1HE      LYS   4  -9.300  -4.220   3.365
   30    HE3  LYS   4           2HE      LYS   4  -9.792  -5.895   3.072
   31    HZ1  LYS   4           2HZ      LYS   4  -8.099  -5.713   4.771
   32    HZ3  LYS   4           1HZ      LYS   4  -7.052  -4.978   3.752
   33    H    HIS   5           H        HIS   5  -9.281   0.194  -0.261
   34    HA   HIS   5           HA       HIS   5  -7.631  -0.368  -2.717
   35    HB2  HIS   5           1HB      HIS   5  -9.843   1.777  -2.328
   36    HB3  HIS   5           2HB      HIS   5  -8.717   1.828  -3.668
   37    HD2  HIS   5           HD2      HIS   5  -8.787  -1.405  -4.442
   38    HE1  HIS   5           HE1      HIS   5 -12.673  -0.439  -5.570
   39    HE2  HIS   5           HE2      HIS   5 -10.826  -2.191  -5.943
   40    H    MET   6           H        MET   6  -8.169   1.979  -0.050
   41    HA   MET   6           HA       MET   6  -5.667   3.427  -0.705
   42    HB2  MET   6           2HB      MET   6  -7.282   3.778   1.910
   43    HB3  MET   6           1HB      MET   6  -6.121   4.880   1.194
   44    HG2  MET   6           1HG      MET   6  -8.024   4.791  -0.830
   45    HG3  MET   6           2HG      MET   6  -9.054   4.481   0.551
   46    HE1  MET   6           3HE      MET   6  -9.863   6.258   2.263
   47    HE2  MET   6           1HE      MET   6  -8.910   7.700   2.722
   48    HE3  MET   6           2HE      MET   6  -8.257   6.065   3.035
   49    H    PHE   7           H        PHE   7  -6.941   1.100   1.706
   50    HA   PHE   7           HA       PHE   7  -4.377   0.726   3.073
   51    HB2  PHE   7           1HB      PHE   7  -7.067  -0.648   2.981
   52    HB3  PHE   7           2HB      PHE   7  -5.802  -1.607   3.639
   53    HD1  PHE   7           HD1      PHE   7  -7.978   1.327   4.173
   54    HD2  PHE   7           HD2      PHE   7  -4.642  -0.856   5.790
   55    HE1  PHE   7           HE1      PHE   7  -8.262   2.478   6.299
   56    HE2  PHE   7           HE2      PHE   7  -4.921   0.303   7.920
   57    HZ   PHE   7           HZ       PHE   7  -6.738   1.982   8.211
   58    H    ASP   8           H        ASP   8  -6.007  -0.906   0.402
   59    HA   ASP   8           HA       ASP   8  -4.119  -3.030  -0.111
   60    HB2  ASP   8           1HB      ASP   8  -6.335  -2.662  -1.235
   61    HB3  ASP   8           2HB      ASP   8  -5.622  -1.500  -2.317
   62    HD2  ASP   8           HD2      ASP   8  -4.222  -2.167  -3.768
   63    H    ARG   9           H        ARG   9  -4.231   0.260  -1.514
   64    HA   ARG   9           HA       ARG   9  -1.650   0.185  -2.886
   65    HB2  ARG   9           1HB      ARG   9  -3.326   2.606  -1.973
   66    HB3  ARG   9           2HB      ARG   9  -1.806   2.793  -2.833
   67    HG2  ARG   9           2HG      ARG   9  -2.651   1.619  -4.826
   68    HG3  ARG   9           1HG      ARG   9  -4.152   1.185  -4.012
   69    HD2  ARG   9           1HD      ARG   9  -4.759   3.638  -3.785
   70    HD3  ARG   9           2HD      ARG   9  -3.257   4.083  -4.617
   71   HH11  ARG   9          1HH2      ARG   9  -5.055   5.545  -5.147
   72   HH12  ARG   9          2HH2      ARG   9  -6.022   5.987  -6.642
   73   HH21  ARG   9          1HH1      ARG   9  -5.803   2.825  -7.992
   74   HH22  ARG   9          2HH1      ARG   9  -6.416   4.548  -8.143
   75    H    ILE  10           H        ILE  10  -2.505   1.844   0.214
   76    HA   ILE  10           HA       ILE  10   0.082   2.617   1.041
   77    HB   ILE  10           HB       ILE  10  -2.446   1.749   2.414
   78   HG12  ILE  10          2HG1      ILE  10  -1.135   4.520   2.258
   79   HG13  ILE  10          1HG1      ILE  10  -2.237   3.916   1.044
   80   HG21  ILE  10          1HG2      ILE  10  -0.883   1.188   4.138
   81   HG22  ILE  10          2HG2      ILE  10  -0.128   2.813   4.051
   82   HG23  ILE  10          3HG2      ILE  10  -1.826   2.602   4.603
   83   HD11  ILE  10          3HD1      ILE  10  -3.592   5.267   2.419
   84   HD12  ILE  10          1HD1      ILE  10  -4.043   3.586   2.791
   85   HD13  ILE  10          2HD1      ILE  10  -3.011   4.489   3.930
   86    H    GLY  11           H        GLY  11  -1.419  -0.491   1.526
   87    HA2  GLY  11           2HA      GLY  11   0.594  -1.882   3.002
   88    HA3  GLY  11           1HA      GLY  11  -0.548  -2.688   1.879
   89    H    LYS  12           H        LYS  12   0.571  -1.232  -0.401
   90    HA   LYS  12           HA       LYS  12   3.420  -2.102  -0.628
   91    HB2  LYS  12           1HB      LYS  12   1.844  -4.050  -1.413
   92    HB3  LYS  12           2HB      LYS  12   1.389  -3.035  -2.776
   93    HG2  LYS  12           1HG      LYS  12   3.792  -3.014  -3.553
   94    HG3  LYS  12           2HG      LYS  12   4.283  -3.906  -2.111
   95    HD2  LYS  12           2HD      LYS  12   2.843  -5.872  -2.858
   96    HD3  LYS  12           1HD      LYS  12   2.349  -4.951  -4.271
   97    HE2  LYS  12           1HE      LYS  12   4.069  -6.459  -5.016
   98    HE3  LYS  12           2HE      LYS  12   4.776  -4.846  -5.059
   99    HZ1  LYS  12           2HZ      LYS  12   6.258  -6.484  -4.100
  100    HZ3  LYS  12           1HZ      LYS  12   5.186  -6.883  -2.933
  101    H    ASP  13           H        ASP  13   2.544   0.396  -0.289
  102    HA   ASP  13           HA       ASP  13   3.901   1.725  -2.607
  103    HB2  ASP  13           2HB      ASP  13   1.305   2.196  -2.276
  104    HB3  ASP  13           1HB      ASP  13   1.812   3.071  -0.884
  105    HD2  ASP  13           HD2      ASP  13   3.094   5.810  -2.585
  106    H    VAL  14           H        VAL  14   3.068   2.036   0.828
  107    HA   VAL  14           HA       VAL  14   5.936   2.923   1.141
  108    HB   VAL  14           HB       VAL  14   5.572   4.240   3.041
  109   HG11  VAL  14          3HG2      VAL  14   5.547   5.243   0.771
  110   HG12  VAL  14          1HG2      VAL  14   3.774   5.144   0.721
  111   HG13  VAL  14          2HG2      VAL  14   4.571   6.215   1.919
  112   HG21  VAL  14          1HG1      VAL  14   3.483   3.193   4.008
  113   HG22  VAL  14          2HG1      VAL  14   3.254   4.951   3.823
  114   HG23  VAL  14          3HG1      VAL  14   2.521   3.812   2.650
  115    H    TYR  15           H        TYR  15   5.127   0.813   0.802
  116    HA   TYR  15           HA       TYR  15   6.595  -0.834   2.856
  117    HB2  TYR  15           1HB      TYR  15   4.219  -1.559   3.088
  118    HB3  TYR  15           2HB      TYR  15   4.127  -1.794   1.359
  119    HD1  TYR  15           HD1      TYR  15   5.905  -3.024   4.449
  120    HD2  TYR  15           HD2      TYR  15   4.954  -3.894   0.345
  121    HE1  TYR  15           HE1      TYR  15   6.907  -5.246   4.686
  122    HE2  TYR  15           HE2      TYR  15   5.963  -6.110   0.585
  123    HH   TYR  15           HH       TYR  15   7.413  -7.170   3.671
  124    H    ASP  16           H        ASP  16   5.634  -0.285  -0.533
  125    HA   ASP  16           HA       ASP  16   7.948  -1.950  -1.450
  126    HB2  ASP  16           2HB      ASP  16   5.697  -1.972  -2.768
  127    HB3  ASP  16           1HB      ASP  16   6.132  -0.347  -3.248
  128    HD2  ASP  16           HD2      ASP  16   6.944  -3.617  -3.343
  129    H    LYS  17           H        LYS  17   7.155   1.499  -1.030
  130    HA   LYS  17           HA       LYS  17   9.673   2.351  -2.277
  131    HB2  LYS  17           2HB      LYS  17   7.666   3.813  -2.105
  132    HB3  LYS  17           1HB      LYS  17   7.776   3.859  -0.360
  133    HG2  LYS  17           2HG      LYS  17  10.131   4.831  -2.094
  134    HG3  LYS  17           1HG      LYS  17   8.688   5.818  -1.954
  135    HD2  LYS  17           1HD      LYS  17   8.883   5.927   0.516
  136    HD3  LYS  17           2HD      LYS  17  10.303   4.903   0.516
  137    HE2  LYS  17           1HE      LYS  17  10.146   7.664  -0.879
  138    HE3  LYS  17           2HE      LYS  17  10.764   7.395   0.748
  139    HZ1  LYS  17           2HZ      LYS  17  12.548   7.484  -0.813
  140    HZ3  LYS  17           1HZ      LYS  17  12.494   5.992  -0.146
  141    H    VAL  18           H        VAL  18   8.895   0.907   0.853
  142    HA   VAL  18           HA       VAL  18  11.312   1.973   2.159
  143    HB   VAL  18           HB       VAL  18  10.696   1.183   4.141
  144   HG11  VAL  18          3HG2      VAL  18   9.243   3.131   3.555
  145   HG12  VAL  18          1HG2      VAL  18   8.422   2.077   4.734
  146   HG13  VAL  18          2HG2      VAL  18   7.973   2.013   3.017
  147   HG21  VAL  18          1HG1      VAL  18   8.652  -0.745   3.097
  148   HG22  VAL  18          2HG1      VAL  18   8.740  -0.287   4.819
  149   HG23  VAL  18          3HG1      VAL  18  10.113  -1.079   4.029
  150    H    LYS  19           H        LYS  19   9.940  -1.119   1.385
  151    HA   LYS  19           HA       LYS  19  12.289  -2.730   1.781
  152    HB2  LYS  19           1HB      LYS  19   9.885  -3.504   1.476
  153    HB3  LYS  19           2HB      LYS  19  10.038  -3.257  -0.260
  154    HG2  LYS  19           1HG      LYS  19  11.812  -5.048  -0.346
  155    HG3  LYS  19           2HG      LYS  19  11.766  -5.199   1.413
  156    HD2  LYS  19           2HD      LYS  19   9.328  -5.888   1.287
  157    HD3  LYS  19           1HD      LYS  19   9.379  -5.747  -0.473
  158    HE2  LYS  19           1HE      LYS  19  11.158  -7.562  -0.567
  159    HE3  LYS  19           2HE      LYS  19  11.118  -7.694   1.198
  160    HZ1  LYS  19           2HZ      LYS  19   9.739  -9.346   0.122
  161    HZ3  LYS  19           1HZ      LYS  19   8.839  -8.209  -0.633
  162    H    GLU  20           H        GLU  20  11.922  -0.362  -0.628
  163    HA   GLU  20           HA       GLU  20  13.737  -1.586  -2.638
  164    HB2  GLU  20           2HB      GLU  20  11.622  -0.677  -3.475
  165    HB3  GLU  20           1HB      GLU  20  12.039   0.875  -2.798
  166    HG2  GLU  20           1HG      GLU  20  12.416   0.979  -5.174
  167    HG3  GLU  20           2HG      GLU  20  13.975   1.098  -4.374
  168    HE2  GLU  20           HE2      GLU  20  11.841  -0.879  -6.099
  169    HN1  NH2  21           2HN      NH2  21  14.410   0.975  -0.098
  170    HN2  NH2  21           1HN      NH2  21  13.583   1.740  -1.460
  Start of MODEL   11
    1    H1   ACE   1           3HA      ACE   1 -14.258  -4.713  -1.602
    2    H2   ACE   1           1HA      ACE   1 -12.616  -4.866  -2.275
    3    H3   ACE   1           2HA      ACE   1 -12.833  -4.610  -0.528
    4    H    GLU   1           H        GLU   1 -14.526  -2.639  -0.331
    5    HA   GLU   1           HA       GLU   1 -14.469  -0.465  -2.096
    6    HB2  GLU   1           1HB      GLU   1 -15.207  -0.554   0.889
    7    HB3  GLU   1           2HB      GLU   1 -15.585   0.753  -0.185
    8    HG2  GLU   1           2HG      GLU   1 -17.568  -0.334  -0.127
    9    HG3  GLU   1           1HG      GLU   1 -16.911  -0.724  -1.703
   10    HE2  GLU   1           HE2      GLU   1 -16.715  -2.690  -2.200
   11    H    SER   2           H        SER   2 -14.178   1.769  -0.375
   12    HA   SER   2           HA       SER   2 -11.647   2.865  -0.977
   13    HB2  SER   2           2HB      SER   2 -13.757   4.060  -0.176
   14    HB3  SER   2           1HB      SER   2 -13.217   3.700   1.439
   15    HG   SER   2           HG       SER   2 -12.503   5.726   0.711
   16    H    ALA   3           H        ALA   3 -12.569   1.465   2.065
   17    HA   ALA   3           HA       ALA   3  -9.799   1.618   3.139
   18    HB1  ALA   3           3HB      ALA   3 -11.833   1.852   4.668
   19    HB2  ALA   3           1HB      ALA   3 -10.738   0.564   5.242
   20    HB3  ALA   3           2HB      ALA   3 -12.230   0.132   4.358
   21    H    LYS   4           H        LYS   4 -10.576  -0.124   1.038
   22    HA   LYS   4           HA       LYS   4  -8.446  -2.118   1.383
   23    HB2  LYS   4           1HB      LYS   4 -11.309  -2.903   0.479
   24    HB3  LYS   4           2HB      LYS   4  -9.933  -3.953   0.166
   25    HG2  LYS   4           2HG      LYS   4  -9.494  -4.170   2.644
   26    HG3  LYS   4           1HG      LYS   4 -10.917  -3.180   2.979
   27    HD2  LYS   4           2HD      LYS   4 -12.393  -4.854   1.823
   28    HD3  LYS   4           1HD      LYS   4 -10.985  -5.854   1.444
   29    HE2  LYS   4           1HE      LYS   4 -10.528  -6.150   3.931
   30    HE3  LYS   4           2HE      LYS   4 -11.938  -5.150   4.309
   31    HZ1  LYS   4           2HZ      LYS   4 -11.980  -7.721   2.827
   32    HZ3  LYS   4           1HZ      LYS   4 -12.434  -7.502   4.382
   33    H    HIS   5           H        HIS   5  -9.276   0.218  -0.188
   34    HA   HIS   5           HA       HIS   5  -7.673  -0.417  -2.657
   35    HB2  HIS   5           2HB      HIS   5  -9.864   1.750  -2.274
   36    HB3  HIS   5           1HB      HIS   5  -8.747   1.785  -3.623
   37    HD2  HIS   5           HD2      HIS   5  -8.827  -1.446  -4.374
   38    HE1  HIS   5           HE1      HIS   5 -12.710  -0.471  -5.501
   39    HE2  HIS   5           HE2      HIS   5 -10.869  -2.230  -5.872
   40    H    MET   6           H        MET   6  -8.135   1.984  -0.028
   41    HA   MET   6           HA       MET   6  -5.637   3.402  -0.768
   42    HB2  MET   6           1HB      MET   6  -7.202   3.815   1.869
   43    HB3  MET   6           2HB      MET   6  -6.024   4.882   1.129
   44    HG2  MET   6           1HG      MET   6  -7.991   4.772  -0.870
   45    HG3  MET   6           2HG      MET   6  -8.968   4.588   0.581
   46    HE1  MET   6           3HE      MET   6  -9.263   8.482  -0.316
   47    HE2  MET   6           1HE      MET   6  -9.111   7.119  -1.464
   48    HE3  MET   6           2HE      MET   6 -10.186   6.977  -0.037
   49    H    PHE   7           H        PHE   7  -6.875   1.114   1.693
   50    HA   PHE   7           HA       PHE   7  -4.289   0.763   3.031
   51    HB2  PHE   7           1HB      PHE   7  -6.994  -0.578   3.019
   52    HB3  PHE   7           2HB      PHE   7  -5.732  -1.556   3.657
   53    HD1  PHE   7           HD1      PHE   7  -4.505  -0.796   5.772
   54    HD2  PHE   7           HD2      PHE   7  -7.846   1.421   4.209
   55    HE1  PHE   7           HE1      PHE   7  -4.715   0.392   7.893
   56    HE2  PHE   7           HE2      PHE   7  -8.060   2.601   6.327
   57    HZ   PHE   7           HZ       PHE   7  -6.498   2.103   8.207
   58    H    ASP   8           H        ASP   8  -5.982  -0.906   0.426
   59    HA   ASP   8           HA       ASP   8  -4.120  -3.050  -0.092
   60    HB2  ASP   8           1HB      ASP   8  -6.362  -2.680  -1.179
   61    HB3  ASP   8           2HB      ASP   8  -5.655  -1.546  -2.291
   62    HD2  ASP   8           HD2      ASP   8  -5.133  -5.541  -2.656
   63    H    ARG   9           H        ARG   9  -4.238   0.215  -1.552
   64    HA   ARG   9           HA       ARG   9  -1.678   0.073  -2.959
   65    HB2  ARG   9           1HB      ARG   9  -3.210   2.602  -2.090
   66    HB3  ARG   9           2HB      ARG   9  -1.783   2.645  -3.101
   67    HG2  ARG   9           1HG      ARG   9  -4.428   1.272  -3.886
   68    HG3  ARG   9           2HG      ARG   9  -3.941   2.897  -4.346
   69    HD2  ARG   9           1HD      ARG   9  -1.926   1.963  -5.580
   70    HD3  ARG   9           2HD      ARG   9  -2.437   0.319  -5.155
   71   HH11  ARG   9          2HH1      ARG   9  -1.457   0.416  -7.309
   72   HH12  ARG   9          1HH1      ARG   9  -2.001   0.134  -9.038
   73   HH21  ARG   9          1HH2      ARG   9  -5.201   1.267  -8.452
   74   HH22  ARG   9          2HH2      ARG   9  -3.979   0.584  -9.639
   75    H    ILE  10           H        ILE  10  -2.466   1.814   0.114
   76    HA   ILE  10           HA       ILE  10   0.142   2.580   0.877
   77    HB   ILE  10           HB       ILE  10  -2.365   1.760   2.316
   78   HG12  ILE  10          2HG1      ILE  10  -1.035   4.517   2.082
   79   HG13  ILE  10          1HG1      ILE  10  -2.166   3.899   0.901
   80   HG21  ILE  10          1HG2      ILE  10  -1.695   2.650   4.476
   81   HG22  ILE  10          2HG2      ILE  10  -0.006   2.835   3.887
   82   HG23  ILE  10          3HG2      ILE  10  -0.774   1.219   4.021
   83   HD11  ILE  10          3HD1      ILE  10  -3.938   3.615   2.692
   84   HD12  ILE  10          1HD1      ILE  10  -3.484   5.285   2.276
   85   HD13  ILE  10          2HD1      ILE  10  -2.877   4.533   3.790
   86    H    GLY  11           H        GLY  11  -1.372  -0.505   1.449
   87    HA2  GLY  11           1HA      GLY  11   0.647  -1.889   2.921
   88    HA3  GLY  11           2HA      GLY  11  -0.511  -2.704   1.824
   89    H    LYS  12           H        LYS  12   0.582  -1.299  -0.493
   90    HA   LYS  12           HA       LYS  12   3.426  -2.173  -0.743
   91    HB2  LYS  12           2HB      LYS  12   1.849  -4.144  -1.463
   92    HB3  LYS  12           1HB      LYS  12   1.357  -3.157  -2.834
   93    HG2  LYS  12           2HG      LYS  12   3.754  -3.136  -3.657
   94    HG3  LYS  12           1HG      LYS  12   4.265  -4.033  -2.225
   95    HD2  LYS  12           1HD      LYS  12   2.796  -5.972  -2.924
   96    HD3  LYS  12           2HD      LYS  12   2.271  -5.063  -4.347
   97    HE2  LYS  12           1HE      LYS  12   4.676  -4.977  -5.181
   98    HE3  LYS  12           2HE      LYS  12   5.202  -5.887  -3.757
   99    HZ1  LYS  12           2HZ      LYS  12   3.802  -7.718  -4.453
  100    HZ3  LYS  12           1HZ      LYS  12   4.880  -7.332  -5.621
  101    H    ASP  13           H        ASP  13   2.567   0.322  -0.447
  102    HA   ASP  13           HA       ASP  13   3.893   1.605  -2.805
  103    HB2  ASP  13           1HB      ASP  13   1.288   2.074  -2.464
  104    HB3  ASP  13           2HB      ASP  13   1.813   2.978  -1.100
  105    HD2  ASP  13           HD2      ASP  13   2.338   4.372  -4.857
  106    H    VAL  14           H        VAL  14   3.069   1.985   0.624
  107    HA   VAL  14           HA       VAL  14   5.931   2.888   0.914
  108    HB   VAL  14           HB       VAL  14   5.569   4.247   2.775
  109   HG11  VAL  14          1HG1      VAL  14   5.545   5.196   0.484
  110   HG12  VAL  14          2HG1      VAL  14   3.772   5.093   0.432
  111   HG13  VAL  14          3HG1      VAL  14   4.566   6.196   1.604
  112   HG21  VAL  14          3HG2      VAL  14   3.244   4.986   3.530
  113   HG22  VAL  14          1HG2      VAL  14   3.473   3.236   3.772
  114   HG23  VAL  14          2HG2      VAL  14   2.517   3.811   2.390
  115    H    TYR  15           H        TYR  15   5.152   0.778   0.623
  116    HA   TYR  15           HA       TYR  15   6.641  -0.824   2.706
  117    HB2  TYR  15           1HB      TYR  15   4.267  -1.553   2.965
  118    HB3  TYR  15           2HB      TYR  15   4.153  -1.811   1.240
  119    HD1  TYR  15           HD2      TYR  15   5.976  -2.994   4.320
  120    HD2  TYR  15           HD1      TYR  15   4.977  -3.921   0.241
  121    HE1  TYR  15           HE2      TYR  15   6.990  -5.209   4.574
  122    HE2  TYR  15           HE1      TYR  15   5.995  -6.131   0.498
  123    HH   TYR  15           HH       TYR  15   7.494  -7.142   3.578
  124    H    ASP  16           H        ASP  16   5.603  -0.329  -0.704
  125    HA   ASP  16           HA       ASP  16   7.801  -2.049  -1.738
  126    HB2  ASP  16           1HB      ASP  16   5.570  -1.866  -2.986
  127    HB3  ASP  16           2HB      ASP  16   6.037  -0.222  -3.362
  128    HD2  ASP  16           HD2      ASP  16   8.227  -1.082  -5.900
  129    H    LYS  17           H        LYS  17   7.162   1.451  -1.270
  130    HA   LYS  17           HA       LYS  17   9.785   2.213  -2.410
  131    HB2  LYS  17           2HB      LYS  17   7.756   3.735  -2.474
  132    HB3  LYS  17           1HB      LYS  17   7.795   3.846  -0.725
  133    HG2  LYS  17           2HG      LYS  17   8.714   5.859  -1.646
  134    HG3  LYS  17           1HG      LYS  17  10.020   5.019  -0.830
  135    HD2  LYS  17           2HD      LYS  17  10.869   4.168  -3.056
  136    HD3  LYS  17           1HD      LYS  17   9.548   4.964  -3.895
  137    HE2  LYS  17           1HE      LYS  17  11.707   6.431  -2.219
  138    HE3  LYS  17           2HE      LYS  17  11.794   6.180  -3.960
  139    HZ1  LYS  17           2HZ      LYS  17   9.690   7.728  -2.561
  140    HZ3  LYS  17           1HZ      LYS  17  10.942   8.351  -3.408
  141    H    VAL  18           H        VAL  18   8.769   0.780   0.432
  142    HA   VAL  18           HA       VAL  18  10.799   1.919   2.289
  143    HB   VAL  18           HB       VAL  18   8.403   0.223   2.942
  144   HG11  VAL  18          1HG1      VAL  18  10.053  -0.804   4.291
  145   HG12  VAL  18          2HG1      VAL  18  10.546   0.783   4.969
  146   HG13  VAL  18          3HG1      VAL  18   8.903   0.113   5.271
  147   HG21  VAL  18          3HG2      VAL  18   9.208   2.976   4.008
  148   HG22  VAL  18          1HG2      VAL  18   7.729   2.066   4.425
  149   HG23  VAL  18          2HG2      VAL  18   7.957   2.661   2.773
  150    H    LYS  19           H        LYS  19   9.793  -1.249   1.066
  151    HA   LYS  19           HA       LYS  19  12.162  -2.663   1.953
  152    HB2  LYS  19           2HB      LYS  19   9.878  -3.611   1.279
  153    HB3  LYS  19           1HB      LYS  19  10.303  -3.348  -0.408
  154    HG2  LYS  19           2HG      LYS  19  12.207  -4.992  -0.166
  155    HG3  LYS  19           1HG      LYS  19  11.867  -5.155   1.559
  156    HD2  LYS  19           2HD      LYS  19   9.558  -6.038   1.019
  157    HD3  LYS  19           1HD      LYS  19   9.883  -5.902  -0.701
  158    HE2  LYS  19           2HE      LYS  19  11.485  -7.698   1.257
  159    HE3  LYS  19           1HE      LYS  19  10.125  -8.245   0.281
  160    HZ1  LYS  19           2HZ      LYS  19  12.230  -8.756  -0.747
  161    HZ3  LYS  19           1HZ      LYS  19  12.677  -7.184  -0.790
  162    H    GLU  20           H        GLU  20  11.990  -0.268  -0.447
  163    HA   GLU  20           HA       GLU  20  14.075  -1.363  -2.252
  164    HB2  GLU  20           1HB      GLU  20  11.995  -0.496  -3.294
  165    HB3  GLU  20           2HB      GLU  20  12.332   1.046  -2.555
  166    HG2  GLU  20           1HG      GLU  20  12.940   1.190  -4.875
  167    HG3  GLU  20           2HG      GLU  20  14.411   1.319  -3.924
  168    HE2  GLU  20           HE2      GLU  20  15.880  -1.540  -5.191
  169    HN1  NH2  21           2HN      NH2  21  13.634   1.921  -1.025
  170    HN2  NH2  21           1HN      NH2  21  14.333   1.153   0.407
  Start of MODEL   12
    1    H1   ACE   1           3HA      ACE   1 -12.016  -4.434  -2.073
    2    H2   ACE   1           1HA      ACE   1 -13.511  -4.579  -3.027
    3    H3   ACE   1           2HA      ACE   1 -13.583  -4.653  -1.250
    4    H    GLU   1           H        GLU   1 -14.318  -2.761  -0.433
    5    HA   GLU   1           HA       GLU   1 -14.703  -0.371  -1.819
    6    HB2  GLU   1           1HB      GLU   1 -14.737  -0.856   1.212
    7    HB3  GLU   1           2HB      GLU   1 -15.431   0.527   0.448
    8    HG2  GLU   1           1HG      GLU   1 -17.045  -0.624  -0.827
    9    HG3  GLU   1           2HG      GLU   1 -16.436  -2.213  -0.343
   10    HE2  GLU   1           HE2      GLU   1 -17.880  -2.208   2.814
   11    H    SER   2           H        SER   2 -14.261   1.646  -0.201
   12    HA   SER   2           HA       SER   2 -11.835   2.874  -1.052
   13    HB2  SER   2           2HB      SER   2 -13.913   4.053  -0.215
   14    HB3  SER   2           1HB      SER   2 -13.321   3.765   1.398
   15    HG   SER   2           HG       SER   2 -11.925   5.122  -0.662
   16    H    ALA   3           H        ALA   3 -12.518   1.719   2.170
   17    HA   ALA   3           HA       ALA   3  -9.637   1.916   2.985
   18    HB1  ALA   3           3HB      ALA   3 -10.426   1.124   5.250
   19    HB2  ALA   3           1HB      ALA   3 -11.506   2.410   4.644
   20    HB3  ALA   3           2HB      ALA   3 -12.015   0.694   4.555
   21    H    LYS   4           H        LYS   4 -10.635   0.056   1.111
   22    HA   LYS   4           HA       LYS   4  -8.642  -2.055   1.571
   23    HB2  LYS   4           1HB      LYS   4 -11.239  -2.818   1.965
   24    HB3  LYS   4           2HB      LYS   4 -11.295  -2.873   0.210
   25    HG2  LYS   4           2HG      LYS   4  -9.294  -4.535   0.325
   26    HG3  LYS   4           1HG      LYS   4  -9.441  -4.512   2.072
   27    HD2  LYS   4           1HD      LYS   4 -11.581  -5.507   0.068
   28    HD3  LYS   4           2HD      LYS   4 -10.472  -6.491   0.984
   29    HE2  LYS   4           1HE      LYS   4 -12.446  -6.746   2.202
   30    HE3  LYS   4           2HE      LYS   4 -11.561  -5.573   3.173
   31    HZ1  LYS   4           2HZ      LYS   4 -13.878  -4.982   2.863
   32    HZ3  LYS   4           1HZ      LYS   4 -13.739  -4.980   1.234
   33    H    HIS   5           H        HIS   5  -9.350   0.259  -0.204
   34    HA   HIS   5           HA       HIS   5  -7.640  -0.581  -2.528
   35    HB2  HIS   5           2HB      HIS   5 -10.011   0.190  -3.195
   36    HB3  HIS   5           1HB      HIS   5  -9.633   1.786  -2.551
   37    HD2  HIS   5           HD2      HIS   5  -7.954  -0.815  -5.021
   38    HE1  HIS   5           HE1      HIS   5  -6.939   2.964  -6.425
   39    HE2  HIS   5           HE2      HIS   5  -6.627   0.462  -6.929
   40    H    MET   6           H        MET   6  -8.065   1.804   0.076
   41    HA   MET   6           HA       MET   6  -5.613   3.300  -0.698
   42    HB2  MET   6           2HB      MET   6  -5.970   4.697   1.331
   43    HB3  MET   6           1HB      MET   6  -7.355   4.799   0.248
   44    HG2  MET   6           2HG      MET   6  -8.801   3.752   1.764
   45    HG3  MET   6           1HG      MET   6  -7.514   2.902   2.627
   46    HE1  MET   6           3HE      MET   6  -8.890   3.770   4.831
   47    HE2  MET   6           1HE      MET   6  -9.994   4.801   3.871
   48    HE3  MET   6           2HE      MET   6  -9.086   5.498   5.245
   49    H    PHE   7           H        PHE   7  -6.840   1.053   1.791
   50    HA   PHE   7           HA       PHE   7  -4.252   0.667   3.092
   51    HB2  PHE   7           1HB      PHE   7  -7.004  -0.559   3.114
   52    HB3  PHE   7           2HB      PHE   7  -5.779  -1.641   3.674
   53    HD1  PHE   7           HD2      PHE   7  -4.380  -0.981   5.732
   54    HD2  PHE   7           HD1      PHE   7  -7.732   1.387   4.434
   55    HE1  PHE   7           HE2      PHE   7  -4.416   0.156   7.888
   56    HE2  PHE   7           HE1      PHE   7  -7.768   2.521   6.586
   57    HZ   PHE   7           HZ       PHE   7  -6.114   1.921   8.353
   58    H    ASP   8           H        ASP   8  -5.948  -1.059   0.539
   59    HA   ASP   8           HA       ASP   8  -4.062  -3.168   0.009
   60    HB2  ASP   8           1HB      ASP   8  -6.335  -2.819  -1.053
   61    HB3  ASP   8           2HB      ASP   8  -5.642  -1.700  -2.185
   62    HD2  ASP   8           HD2      ASP   8  -5.713  -4.875  -1.045
   63    H    ARG   9           H        ARG   9  -4.226   0.091  -1.458
   64    HA   ARG   9           HA       ARG   9  -1.686  -0.059  -2.911
   65    HB2  ARG   9           1HB      ARG   9  -3.162   2.501  -2.057
   66    HB3  ARG   9           2HB      ARG   9  -1.790   2.473  -3.141
   67    HG2  ARG   9           2HG      ARG   9  -4.557   1.246  -3.758
   68    HG3  ARG   9           1HG      ARG   9  -3.955   2.793  -4.286
   69    HD2  ARG   9           2HD      ARG   9  -3.682   1.482  -6.192
   70    HD3  ARG   9           1HD      ARG   9  -2.042   1.554  -5.541
   71   HH11  ARG   9          2HH1      ARG   9  -1.994   0.376  -7.531
   72   HH12  ARG   9          1HH1      ARG   9  -1.680  -1.341  -8.095
   73   HH21  ARG   9          1HH2      ARG   9  -3.006  -2.754  -5.246
   74   HH22  ARG   9          2HH2      ARG   9  -2.216  -2.995  -6.885
   75    H    ILE  10           H        ILE  10  -2.447   1.709   0.159
   76    HA   ILE  10           HA       ILE  10   0.163   2.493   0.881
   77    HB   ILE  10           HB       ILE  10  -2.324   1.668   2.352
   78   HG12  ILE  10          2HG1      ILE  10  -1.004   4.428   2.096
   79   HG13  ILE  10          1HG1      ILE  10  -2.146   3.803   0.931
   80   HG21  ILE  10          1HG2      ILE  10  -1.643   2.563   4.502
   81   HG22  ILE  10          2HG2      ILE  10  -0.719   1.136   4.045
   82   HG23  ILE  10          3HG2      ILE  10   0.041   2.755   3.903
   83   HD11  ILE  10          3HD1      ILE  10  -3.894   3.516   2.752
   84   HD12  ILE  10          1HD1      ILE  10  -2.824   4.452   3.824
   85   HD13  ILE  10          2HD1      ILE  10  -3.459   5.185   2.312
   86    H    GLY  11           H        GLY  11  -1.330  -0.598   1.492
   87    HA2  GLY  11           1HA      GLY  11   0.704  -1.971   2.952
   88    HA3  GLY  11           2HA      GLY  11  -0.453  -2.791   1.860
   89    H    LYS  12           H        LYS  12   0.618  -1.384  -0.463
   90    HA   LYS  12           HA       LYS  12   3.463  -2.245  -0.736
   91    HB2  LYS  12           2HB      LYS  12   1.887  -4.229  -1.432
   92    HB3  LYS  12           1HB      LYS  12   1.373  -3.250  -2.799
   93    HG2  LYS  12           1HG      LYS  12   3.757  -3.223  -3.653
   94    HG3  LYS  12           2HG      LYS  12   4.290  -4.117  -2.228
   95    HD2  LYS  12           2HD      LYS  12   2.814  -6.052  -2.896
   96    HD3  LYS  12           1HD      LYS  12   2.261  -5.176  -4.315
   97    HE2  LYS  12           1HE      LYS  12   5.213  -5.969  -3.780
   98    HE3  LYS  12           2HE      LYS  12   4.081  -6.916  -4.742
   99    HZ1  LYS  12           2HZ      LYS  12   3.873  -5.088  -6.284
  100    HZ3  LYS  12           1HZ      LYS  12   5.432  -5.560  -6.144
  101    H    ASP  13           H        ASP  13   2.583   0.244  -0.449
  102    HA   ASP  13           HA       ASP  13   3.885   1.536  -2.813
  103    HB2  ASP  13           2HB      ASP  13   1.275   1.973  -2.477
  104    HB3  ASP  13           1HB      ASP  13   1.783   2.884  -1.110
  105    HD2  ASP  13           HD2      ASP  13   2.089   2.558  -4.468
  106    H    VAL  14           H        VAL  14   3.041   1.919   0.613
  107    HA   VAL  14           HA       VAL  14   5.892   2.845   0.914
  108    HB   VAL  14           HB       VAL  14   5.498   4.146   2.814
  109   HG11  VAL  14          3HG2      VAL  14   3.755   5.019   0.445
  110   HG12  VAL  14          1HG2      VAL  14   4.447   6.115   1.688
  111   HG13  VAL  14          2HG2      VAL  14   5.521   5.177   0.604
  112   HG21  VAL  14          1HG1      VAL  14   3.391   3.097   3.760
  113   HG22  VAL  14          2HG1      VAL  14   3.154   4.852   3.562
  114   HG23  VAL  14          3HG1      VAL  14   2.451   3.703   2.380
  115    H    TYR  15           H        TYR  15   5.168   0.728   0.609
  116    HA   TYR  15           HA       TYR  15   6.691  -0.817   2.694
  117    HB2  TYR  15           2HB      TYR  15   4.328  -1.597   2.985
  118    HB3  TYR  15           1HB      TYR  15   4.215  -1.897   1.266
  119    HD1  TYR  15           HD2      TYR  15   6.095  -2.962   4.359
  120    HD2  TYR  15           HD1      TYR  15   5.056  -4.017   0.320
  121    HE1  TYR  15           HE2      TYR  15   7.165  -5.145   4.653
  122    HE2  TYR  15           HE1      TYR  15   6.132  -6.195   0.617
  123    HH   TYR  15           HH       TYR  15   7.263  -7.533   1.992
  124    H    ASP  16           H        ASP  16   5.625  -0.389  -0.701
  125    HA   ASP  16           HA       ASP  16   7.837  -2.109  -1.721
  126    HB2  ASP  16           1HB      ASP  16   5.583  -2.027  -2.945
  127    HB3  ASP  16           2HB      ASP  16   6.003  -0.384  -3.374
  128    HD2  ASP  16           HD2      ASP  16   7.750  -3.587  -5.150
  129    H    LYS  17           H        LYS  17   7.153   1.390  -1.275
  130    HA   LYS  17           HA       LYS  17   9.790   2.080  -2.501
  131    HB2  LYS  17           1HB      LYS  17   7.631   3.858  -1.248
  132    HB3  LYS  17           2HB      LYS  17   9.211   4.457  -1.726
  133    HG2  LYS  17           1HG      LYS  17   8.861   3.642  -4.080
  134    HG3  LYS  17           2HG      LYS  17   7.242   3.103  -3.684
  135    HD2  LYS  17           2HD      LYS  17   8.162   6.054  -3.439
  136    HD3  LYS  17           1HD      LYS  17   7.545   5.340  -4.908
  137    HE2  LYS  17           2HE      LYS  17   5.655   6.421  -4.056
  138    HE3  LYS  17           1HE      LYS  17   5.354   4.728  -3.677
  139    HZ1  LYS  17           2HZ      LYS  17   4.862   6.202  -1.840
  140    HZ3  LYS  17           1HZ      LYS  17   6.383   6.798  -1.810
  141    H    VAL  18           H        VAL  18   8.755   0.803   0.338
  142    HA   VAL  18           HA       VAL  18  10.737   2.088   2.156
  143    HB   VAL  18           HB       VAL  18   8.392   0.343   2.872
  144   HG11  VAL  18          3HG2      VAL  18  10.071  -0.522   4.300
  145   HG12  VAL  18          1HG2      VAL  18  10.486   1.126   4.880
  146   HG13  VAL  18          2HG2      VAL  18   8.872   0.403   5.212
  147   HG21  VAL  18          1HG1      VAL  18   9.066   3.189   3.776
  148   HG22  VAL  18          2HG1      VAL  18   7.624   2.243   4.237
  149   HG23  VAL  18          3HG1      VAL  18   7.843   2.743   2.553
  150    H    LYS  19           H        LYS  19   9.833  -1.162   1.058
  151    HA   LYS  19           HA       LYS  19  12.220  -2.468   2.071
  152    HB2  LYS  19           1HB      LYS  19   9.963  -3.500   1.431
  153    HB3  LYS  19           2HB      LYS  19  10.403  -3.327  -0.264
  154    HG2  LYS  19           1HG      LYS  19  12.326  -4.926   0.087
  155    HG3  LYS  19           2HG      LYS  19  11.986  -4.979   1.819
  156    HD2  LYS  19           2HD      LYS  19   9.685  -5.937   1.333
  157    HD3  LYS  19           1HD      LYS  19  10.039  -5.898  -0.398
  158    HE2  LYS  19           1HE      LYS  19  11.977  -7.505  -0.042
  159    HE3  LYS  19           2HE      LYS  19  11.636  -7.534   1.695
  160    HZ1  LYS  19           2HZ      LYS  19   9.422  -8.400   1.178
  161    HZ3  LYS  19           1HZ      LYS  19   9.736  -8.374  -0.426
  162    H    GLU  20           H        GLU  20  12.029  -0.208  -0.446
  163    HA   GLU  20           HA       GLU  20  14.167  -1.356  -2.150
  164    HB2  GLU  20           2HB      GLU  20  12.061  -0.654  -3.274
  165    HB3  GLU  20           1HB      GLU  20  12.347   0.967  -2.682
  166    HG2  GLU  20           2HG      GLU  20  14.441   1.156  -4.053
  167    HG3  GLU  20           1HG      GLU  20  14.249  -0.509  -4.606
  168    HE2  GLU  20           HE2      GLU  20  12.611  -0.999  -5.884
  169    HN1  NH2  21           2HN      NH2  21  14.304   1.373   0.316
  170    HN2  NH2  21           1HN      NH2  21  13.522   1.969  -1.158
  Start of MODEL   13
    1    H1   ACE   1           3HA      ACE   1 -12.375  -2.959  -3.898
    2    H2   ACE   1           1HA      ACE   1 -13.050  -1.354  -3.555
    3    H3   ACE   1           2HA      ACE   1 -11.461  -1.823  -2.882
    4    H    GLU   1           H        GLU   1 -14.449  -2.617  -0.394
    5    HA   GLU   1           HA       GLU   1 -14.495  -0.388  -2.094
    6    HB2  GLU   1           1HB      GLU   1 -15.134  -0.577   0.901
    7    HB3  GLU   1           2HB      GLU   1 -15.570   0.745  -0.129
    8    HG2  GLU   1           2HG      GLU   1 -17.532  -0.369  -0.047
    9    HG3  GLU   1           1HG      GLU   1 -16.904  -0.728  -1.644
   10    HE2  GLU   1           HE2      GLU   1 -17.183  -1.867   1.564
   11    H    SER   2           H        SER   2 -14.180   1.806  -0.340
   12    HA   SER   2           HA       SER   2 -11.641   2.886  -0.955
   13    HB2  SER   2           2HB      SER   2 -13.741   4.106  -0.161
   14    HB3  SER   2           1HB      SER   2 -13.204   3.750   1.457
   15    HG   SER   2           HG       SER   2 -11.703   5.116  -0.523
   16    H    ALA   3           H        ALA   3 -12.570   1.518   2.099
   17    HA   ALA   3           HA       ALA   3  -9.790   1.641   3.147
   18    HB1  ALA   3           3HB      ALA   3 -12.233   0.208   4.406
   19    HB2  ALA   3           1HB      ALA   3 -11.806   1.925   4.692
   20    HB3  ALA   3           2HB      ALA   3 -10.726   0.627   5.272
   21    H    LYS   4           H        LYS   4 -10.616  -0.121   1.074
   22    HA   LYS   4           HA       LYS   4  -8.513  -2.144   1.451
   23    HB2  LYS   4           1HB      LYS   4 -11.365  -2.888   0.458
   24    HB3  LYS   4           2HB      LYS   4  -9.998  -3.978   0.271
   25    HG2  LYS   4           2HG      LYS   4  -9.734  -4.124   2.781
   26    HG3  LYS   4           1HG      LYS   4 -11.146  -3.082   2.981
   27    HD2  LYS   4           2HD      LYS   4 -12.577  -4.783   1.732
   28    HD3  LYS   4           1HD      LYS   4 -11.161  -5.806   1.541
   29    HE2  LYS   4           2HE      LYS   4 -12.401  -6.731   3.372
   30    HE3  LYS   4           1HE      LYS   4 -10.961  -6.006   4.081
   31    HZ1  LYS   4           2HZ      LYS   4 -12.333  -4.063   4.661
   32    HZ3  LYS   4           1HZ      LYS   4 -13.658  -4.753   3.997
   33    H    HIS   5           H        HIS   5  -9.294   0.191  -0.164
   34    HA   HIS   5           HA       HIS   5  -7.711  -0.535  -2.623
   35    HB2  HIS   5           2HB      HIS   5 -10.171   0.193  -3.061
   36    HB3  HIS   5           1HB      HIS   5  -9.767   1.777  -2.417
   37    HD2  HIS   5           HD2      HIS   5  -8.532  -0.718  -5.224
   38    HE1  HIS   5           HE1      HIS   5  -7.963   3.126  -6.705
   39    HE2  HIS   5           HE2      HIS   5  -7.771   0.649  -7.368
   40    H    MET   6           H        MET   6  -8.169   1.943  -0.054
   41    HA   MET   6           HA       MET   6  -5.671   3.341  -0.838
   42    HB2  MET   6           1HB      MET   6  -7.217   3.816   1.798
   43    HB3  MET   6           2HB      MET   6  -6.044   4.865   1.026
   44    HG2  MET   6           2HG      MET   6  -8.048   4.706  -0.955
   45    HG3  MET   6           1HG      MET   6  -8.989   4.560   0.516
   46    HE1  MET   6           3HE      MET   6  -5.768   6.716  -0.717
   47    HE2  MET   6           1HE      MET   6  -6.566   8.315  -0.781
   48    HE3  MET   6           2HE      MET   6  -7.131   6.993  -1.845
   49    H    PHE   7           H        PHE   7  -6.903   1.087   1.659
   50    HA   PHE   7           HA       PHE   7  -4.319   0.775   3.011
   51    HB2  PHE   7           2HB      PHE   7  -7.014  -0.580   3.016
   52    HB3  PHE   7           1HB      PHE   7  -5.751  -1.548   3.660
   53    HD1  PHE   7           HD1      PHE   7  -7.843   1.457   4.183
   54    HD2  PHE   7           HD2      PHE   7  -4.539  -0.793   5.776
   55    HE1  PHE   7           HE1      PHE   7  -8.053   2.652   6.292
   56    HE2  PHE   7           HE2      PHE   7  -4.744   0.411   7.889
   57    HZ   PHE   7           HZ       PHE   7  -6.506   2.146   8.184
   58    H    ASP   8           H        ASP   8  -5.994  -0.924   0.426
   59    HA   ASP   8           HA       ASP   8  -4.148  -3.083  -0.075
   60    HB2  ASP   8           1HB      ASP   8  -6.382  -2.709  -1.181
   61    HB3  ASP   8           2HB      ASP   8  -5.663  -1.577  -2.288
   62    HD2  ASP   8           HD2      ASP   8  -5.148  -5.572  -2.653
   63    H    ARG   9           H        ARG   9  -4.242   0.162  -1.589
   64    HA   ARG   9           HA       ARG   9  -1.643  -0.047  -2.931
   65    HB2  ARG   9           2HB      ARG   9  -3.415   2.406  -2.408
   66    HB3  ARG   9           1HB      ARG   9  -1.743   2.639  -2.847
   67    HG2  ARG   9           1HG      ARG   9  -2.769   2.794  -4.897
   68    HG3  ARG   9           2HG      ARG   9  -2.057   1.194  -4.923
   69    HD2  ARG   9           1HD      ARG   9  -4.407   0.250  -4.318
   70    HD3  ARG   9           2HD      ARG   9  -5.053   1.881  -4.475
   71   HH11  ARG   9          2HH2      ARG   9  -4.759   3.478  -5.948
   72   HH12  ARG   9          1HH2      ARG   9  -5.053   3.826  -7.726
   73   HH21  ARG   9          1HH1      ARG   9  -4.623   0.543  -8.671
   74   HH22  ARG   9          2HH1      ARG   9  -4.981   2.275  -9.161
   75    H    ILE  10           H        ILE  10  -2.490   1.783   0.080
   76    HA   ILE  10           HA       ILE  10   0.104   2.581   0.863
   77    HB   ILE  10           HB       ILE  10  -2.410   1.773   2.292
   78   HG12  ILE  10          1HG1      ILE  10  -1.101   4.537   2.003
   79   HG13  ILE  10          2HG1      ILE  10  -2.219   3.884   0.832
   80   HG21  ILE  10          1HG2      ILE  10  -0.828   1.287   4.024
   81   HG22  ILE  10          2HG2      ILE  10  -0.070   2.904   3.854
   82   HG23  ILE  10          3HG2      ILE  10  -1.762   2.723   4.437
   83   HD11  ILE  10          3HD1      ILE  10  -3.559   5.286   2.159
   84   HD12  ILE  10          1HD1      ILE  10  -3.998   3.624   2.621
   85   HD13  ILE  10          2HD1      ILE  10  -2.953   4.583   3.698
   86    H    GLY  11           H        GLY  11  -1.388  -0.500   1.481
   87    HA2  GLY  11           1HA      GLY  11   0.623  -1.824   3.021
   88    HA3  GLY  11           2HA      GLY  11  -0.511  -2.683   1.934
   89    H    LYS  12           H        LYS  12   0.576  -1.363  -0.423
   90    HA   LYS  12           HA       LYS  12   3.438  -2.230  -0.634
   91    HB2  LYS  12           1HB      LYS  12   1.291  -3.249  -2.638
   92    HB3  LYS  12           2HB      LYS  12   3.025  -3.405  -2.867
   93    HG2  LYS  12           2HG      LYS  12   3.185  -4.865  -0.794
   94    HG3  LYS  12           1HG      LYS  12   1.446  -4.736  -0.604
   95    HD2  LYS  12           1HD      LYS  12   1.746  -6.813  -1.597
   96    HD3  LYS  12           2HD      LYS  12   1.124  -5.833  -2.901
   97    HE2  LYS  12           2HE      LYS  12   4.144  -6.470  -2.502
   98    HE3  LYS  12           1HE      LYS  12   3.050  -7.507  -3.410
   99    HZ1  LYS  12           2HZ      LYS  12   4.220  -6.067  -4.875
  100    HZ3  LYS  12           1HZ      LYS  12   2.624  -5.724  -4.947
  101    H    ASP  13           H        ASP  13   2.545   0.298  -0.382
  102    HA   ASP  13           HA       ASP  13   3.869   1.521  -2.780
  103    HB2  ASP  13           2HB      ASP  13   1.280   2.001  -2.445
  104    HB3  ASP  13           1HB      ASP  13   1.796   2.939  -1.098
  105    HD2  ASP  13           HD2      ASP  13   2.997   4.689  -1.406
  106    H    VAL  14           H        VAL  14   3.074   1.982   0.643
  107    HA   VAL  14           HA       VAL  14   5.938   2.893   0.886
  108    HB   VAL  14           HB       VAL  14   5.595   4.288   2.724
  109   HG11  VAL  14          1HG1      VAL  14   4.578   6.211   1.525
  110   HG12  VAL  14          2HG1      VAL  14   5.544   5.189   0.413
  111   HG13  VAL  14          3HG1      VAL  14   3.771   5.085   0.385
  112   HG21  VAL  14          3HG2      VAL  14   2.540   3.839   2.380
  113   HG22  VAL  14          1HG2      VAL  14   3.276   5.039   3.489
  114   HG23  VAL  14          2HG2      VAL  14   3.511   3.294   3.763
  115    H    TYR  15           H        TYR  15   5.163   0.773   0.647
  116    HA   TYR  15           HA       TYR  15   6.682  -0.771   2.748
  117    HB2  TYR  15           2HB      TYR  15   4.315  -1.508   3.043
  118    HB3  TYR  15           1HB      TYR  15   4.193  -1.801   1.324
  119    HD1  TYR  15           HD2      TYR  15   5.998  -2.934   4.431
  120    HD2  TYR  15           HD1      TYR  15   5.061  -3.908   0.349
  121    HE1  TYR  15           HE2      TYR  15   7.028  -5.138   4.718
  122    HE2  TYR  15           HE1      TYR  15   6.089  -6.108   0.639
  123    HH   TYR  15           HH       TYR  15   7.561  -7.077   3.746
  124    H    ASP  16           H        ASP  16   5.604  -0.366  -0.658
  125    HA   ASP  16           HA       ASP  16   7.805  -2.096  -1.677
  126    HB2  ASP  16           2HB      ASP  16   5.592  -2.024  -2.919
  127    HB3  ASP  16           1HB      ASP  16   5.951  -0.350  -3.289
  128    HD2  ASP  16           HD2      ASP  16   7.397   0.107  -4.735
  129    H    LYS  17           H        LYS  17   7.153   1.413  -1.280
  130    HA   LYS  17           HA       LYS  17   9.767   2.126  -2.476
  131    HB2  LYS  17           2HB      LYS  17   7.744   3.654  -2.603
  132    HB3  LYS  17           1HB      LYS  17   7.817   3.871  -0.866
  133    HG2  LYS  17           1HG      LYS  17   8.760   5.805  -1.949
  134    HG3  LYS  17           2HG      LYS  17  10.053   5.001  -1.080
  135    HD2  LYS  17           2HD      LYS  17  10.877   3.973  -3.238
  136    HD3  LYS  17           1HD      LYS  17   9.564   4.722  -4.131
  137    HE2  LYS  17           1HE      LYS  17  11.758   6.277  -2.584
  138    HE3  LYS  17           2HE      LYS  17  11.829   5.890  -4.301
  139    HZ1  LYS  17           2HZ      LYS  17   9.848   7.193  -4.670
  140    HZ3  LYS  17           1HZ      LYS  17  11.021   8.097  -3.979
  141    H    VAL  18           H        VAL  18   8.777   0.792   0.410
  142    HA   VAL  18           HA       VAL  18  10.801   2.011   2.226
  143    HB   VAL  18           HB       VAL  18   8.434   0.301   2.938
  144   HG11  VAL  18          1HG1      VAL  18  10.595   0.922   4.929
  145   HG12  VAL  18          2HG1      VAL  18  10.111  -0.683   4.290
  146   HG13  VAL  18          3HG1      VAL  18   8.963   0.243   5.264
  147   HG21  VAL  18          3HG2      VAL  18   7.967   2.730   2.722
  148   HG22  VAL  18          1HG2      VAL  18   7.759   2.168   4.388
  149   HG23  VAL  18          2HG2      VAL  18   9.226   3.081   3.939
  150    H    LYS  19           H        LYS  19   9.825  -1.198   1.085
  151    HA   LYS  19           HA       LYS  19  12.236  -2.556   1.959
  152    HB2  LYS  19           1HB      LYS  19   9.957  -3.549   1.405
  153    HB3  LYS  19           2HB      LYS  19  10.291  -3.312  -0.307
  154    HG2  LYS  19           1HG      LYS  19  12.143  -4.981  -0.208
  155    HG3  LYS  19           2HG      LYS  19  12.075  -5.015   1.548
  156    HD2  LYS  19           1HD      LYS  19  11.031  -7.020   0.760
  157    HD3  LYS  19           2HD      LYS  19   9.782  -6.024   1.494
  158    HE2  LYS  19           2HE      LYS  19   9.005  -5.300  -0.828
  159    HE3  LYS  19           1HE      LYS  19  10.283  -6.283  -1.558
  160    HZ1  LYS  19           2HZ      LYS  19   8.062  -7.291   0.134
  161    HZ3  LYS  19           1HZ      LYS  19   8.164  -7.421  -1.492
  162    H    GLU  20           H        GLU  20  12.006  -0.219  -0.445
  163    HA   GLU  20           HA       GLU  20  13.972  -1.333  -2.363
  164    HB2  GLU  20           1HB      GLU  20  11.905  -0.344  -3.284
  165    HB3  GLU  20           2HB      GLU  20  12.324   1.164  -2.500
  166    HG2  GLU  20           1HG      GLU  20  14.389   1.362  -3.956
  167    HG3  GLU  20           2HG      GLU  20  13.975  -0.165  -4.738
  168    HE2  GLU  20           HE2      GLU  20  12.208  -0.269  -5.939
  169    HN1  NH2  21           2HN      NH2  21  13.729   1.924  -1.017
  170    HN2  NH2  21           1HN      NH2  21  14.444   1.076   0.358
  Start of MODEL   14
    1    H1   ACE   1           3HA      ACE   1 -13.451  -4.320   0.901
    2    H2   ACE   1           1HA      ACE   1 -14.879  -4.179  -0.154
    3    H3   ACE   1           2HA      ACE   1 -13.255  -4.417  -0.865
    4    H    GLU   1           H        GLU   1 -14.831  -2.296  -1.639
    5    HA   GLU   1           HA       GLU   1 -14.272  -0.154  -2.531
    6    HB2  GLU   1           2HB      GLU   1 -15.450  -0.206   0.292
    7    HB3  GLU   1           1HB      GLU   1 -15.530   1.178  -0.774
    8    HG2  GLU   1           1HG      GLU   1 -17.614   0.325  -1.059
    9    HG3  GLU   1           2HG      GLU   1 -16.763  -0.139  -2.519
   10    HE2  GLU   1           HE2      GLU   1 -17.984  -2.898   0.234
   11    H    SER   2           H        SER   2 -14.029   2.010  -0.674
   12    HA   SER   2           HA       SER   2 -11.409   2.957  -1.084
   13    HB2  SER   2           1HB      SER   2 -13.515   4.201  -0.266
   14    HB3  SER   2           2HB      SER   2 -13.021   3.729   1.331
   15    HG   SER   2           HG       SER   2 -11.001   4.738   0.946
   16    H    ALA   3           H        ALA   3 -12.549   1.310   1.747
   17    HA   ALA   3           HA       ALA   3  -9.842   1.341   2.993
   18    HB1  ALA   3           3HB      ALA   3 -10.908   0.165   4.971
   19    HB2  ALA   3           1HB      ALA   3 -11.948   1.512   4.433
   20    HB3  ALA   3           2HB      ALA   3 -12.360  -0.173   3.983
   21    H    LYS   4           H        LYS   4 -10.534  -0.251   0.753
   22    HA   LYS   4           HA       LYS   4  -8.390  -2.217   1.078
   23    HB2  LYS   4           2HB      LYS   4 -10.983  -3.252   1.328
   24    HB3  LYS   4           1HB      LYS   4 -10.782  -3.429  -0.397
   25    HG2  LYS   4           2HG      LYS   4  -8.967  -4.612   1.821
   26    HG3  LYS   4           1HG      LYS   4 -10.252  -5.473   0.989
   27    HD2  LYS   4           2HD      LYS   4  -8.994  -5.216  -1.210
   28    HD3  LYS   4           1HD      LYS   4  -7.672  -4.431  -0.335
   29    HE2  LYS   4           2HE      LYS   4  -7.350  -6.515   1.075
   30    HE3  LYS   4           1HE      LYS   4  -8.677  -7.308   0.213
   31    HZ1  LYS   4           2HZ      LYS   4  -6.151  -6.339  -1.004
   32    HZ3  LYS   4           1HZ      LYS   4  -6.523  -7.897  -0.677
   33    H    HIS   5           H        HIS   5  -9.232   0.134  -0.412
   34    HA   HIS   5           HA       HIS   5  -7.597  -0.380  -2.879
   35    HB2  HIS   5           2HB      HIS   5 -10.030   0.328  -3.343
   36    HB3  HIS   5           1HB      HIS   5  -9.730   1.840  -2.495
   37    HD2  HIS   5           HD2      HIS   5  -7.905  -0.183  -5.380
   38    HE1  HIS   5           HE1      HIS   5  -7.928   3.816  -6.524
   39    HE2  HIS   5           HE2      HIS   5  -7.175   1.486  -7.310
   40    H    MET   6           H        MET   6  -8.112   1.915  -0.139
   41    HA   MET   6           HA       MET   6  -5.608   3.367  -0.779
   42    HB2  MET   6           2HB      MET   6  -7.272   3.636   1.821
   43    HB3  MET   6           1HB      MET   6  -6.043   4.732   1.218
   44    HG2  MET   6           1HG      MET   6  -7.914   4.731  -0.894
   45    HG3  MET   6           2HG      MET   6  -8.950   4.528   0.509
   46    HE1  MET   6           3HE      MET   6  -9.009   8.479  -0.369
   47    HE2  MET   6           1HE      MET   6  -8.794   7.139  -1.533
   48    HE3  MET   6           2HE      MET   6 -10.021   7.013  -0.234
   49    H    PHE   7           H        PHE   7  -6.883   0.999   1.594
   50    HA   PHE   7           HA       PHE   7  -4.313   0.565   2.925
   51    HB2  PHE   7           1HB      PHE   7  -7.012  -0.795   2.813
   52    HB3  PHE   7           2HB      PHE   7  -5.747  -1.767   3.450
   53    HD1  PHE   7           HD2      PHE   7  -4.573  -1.045   5.610
   54    HD2  PHE   7           HD1      PHE   7  -7.931   1.145   4.048
   55    HE1  PHE   7           HE2      PHE   7  -4.851   0.073   7.762
   56    HE2  PHE   7           HE1      PHE   7  -8.213   2.255   6.196
   57    HZ   PHE   7           HZ       PHE   7  -6.677   1.734   8.091
   58    H    ASP   8           H        ASP   8  -5.972  -0.996   0.226
   59    HA   ASP   8           HA       ASP   8  -4.099  -3.117  -0.347
   60    HB2  ASP   8           1HB      ASP   8  -6.322  -2.708  -1.446
   61    HB3  ASP   8           2HB      ASP   8  -5.607  -1.530  -2.507
   62    HD2  ASP   8           HD2      ASP   8  -4.232  -2.174  -3.986
   63    H    ARG   9           H        ARG   9  -4.202   0.206  -1.672
   64    HA   ARG   9           HA       ARG   9  -1.631   0.141  -3.064
   65    HB2  ARG   9           1HB      ARG   9  -3.325   2.538  -2.125
   66    HB3  ARG   9           2HB      ARG   9  -1.777   2.756  -2.927
   67    HG2  ARG   9           2HG      ARG   9  -2.542   1.582  -4.960
   68    HG3  ARG   9           1HG      ARG   9  -4.096   1.193  -4.224
   69    HD2  ARG   9           1HD      ARG   9  -4.723   3.603  -4.089
   70    HD3  ARG   9           2HD      ARG   9  -3.113   4.091  -4.652
   71   HH11  ARG   9          2HH2      ARG   9  -4.665   5.619  -5.434
   72   HH12  ARG   9          1HH2      ARG   9  -5.317   6.157  -7.062
   73   HH21  ARG   9          2HH1      ARG   9  -5.041   3.021  -8.460
   74   HH22  ARG   9          1HH1      ARG   9  -5.514   4.783  -8.659
   75    H    ILE  10           H        ILE  10  -2.456   1.739   0.077
   76    HA   ILE  10           HA       ILE  10   0.140   2.480   0.899
   77    HB   ILE  10           HB       ILE  10  -2.380   1.594   2.273
   78   HG12  ILE  10          1HG1      ILE  10  -1.057   4.363   2.169
   79   HG13  ILE  10          2HG1      ILE  10  -2.172   3.793   0.952
   80   HG21  ILE  10          1HG2      ILE  10  -1.740   2.394   4.476
   81   HG22  ILE  10          2HG2      ILE  10  -0.044   2.609   3.916
   82   HG23  ILE  10          3HG2      ILE  10  -0.808   0.986   3.973
   83   HD11  ILE  10          3HD1      ILE  10  -3.965   3.430   2.703
   84   HD12  ILE  10          1HD1      ILE  10  -2.921   4.302   3.855
   85   HD13  ILE  10          2HD1      ILE  10  -3.508   5.117   2.365
   86    H    GLY  11           H        GLY  11  -1.373  -0.630   1.326
   87    HA2  GLY  11           2HA      GLY  11   0.635  -2.070   2.759
   88    HA3  GLY  11           1HA      GLY  11  -0.510  -2.841   1.616
   89    H    LYS  12           H        LYS  12   0.602  -1.338  -0.631
   90    HA   LYS  12           HA       LYS  12   3.451  -2.195  -0.890
   91    HB2  LYS  12           2HB      LYS  12   1.880  -4.136  -1.709
   92    HB3  LYS  12           1HB      LYS  12   1.405  -3.090  -3.042
   93    HG2  LYS  12           1HG      LYS  12   3.817  -3.030  -3.825
   94    HG3  LYS  12           2HG      LYS  12   4.302  -4.003  -2.435
   95    HD2  LYS  12           1HD      LYS  12   2.831  -5.888  -3.247
   96    HD3  LYS  12           2HD      LYS  12   2.330  -4.934  -4.634
   97    HE2  LYS  12           2HE      LYS  12   5.256  -5.784  -4.051
   98    HE3  LYS  12           1HE      LYS  12   4.148  -6.664  -5.098
   99    HZ1  LYS  12           2HZ      LYS  12   4.006  -4.754  -6.544
  100    HZ3  LYS  12           1HZ      LYS  12   5.556  -5.249  -6.380
  101    H    ASP  13           H        ASP  13   2.582   0.284  -0.495
  102    HA   ASP  13           HA       ASP  13   3.929   1.668  -2.782
  103    HB2  ASP  13           1HB      ASP  13   1.319   2.118  -2.450
  104    HB3  ASP  13           2HB      ASP  13   1.827   2.963  -1.042
  105    HD2  ASP  13           HD2      ASP  13   1.930   2.834  -4.394
  106    H    VAL  14           H        VAL  14   3.064   1.907   0.652
  107    HA   VAL  14           HA       VAL  14   5.924   2.793   1.009
  108    HB   VAL  14           HB       VAL  14   5.542   4.070   2.923
  109   HG11  VAL  14          3HG2      VAL  14   5.551   5.116   0.675
  110   HG12  VAL  14          1HG2      VAL  14   3.779   5.019   0.594
  111   HG13  VAL  14          2HG2      VAL  14   4.558   6.069   1.823
  112   HG21  VAL  14          1HG1      VAL  14   3.208   4.783   3.679
  113   HG22  VAL  14          2HG1      VAL  14   2.495   3.657   2.481
  114   HG23  VAL  14          3HG1      VAL  14   3.432   3.023   3.850
  115    H    TYR  15           H        TYR  15   5.163   0.701   0.618
  116    HA   TYR  15           HA       TYR  15   6.629  -0.990   2.651
  117    HB2  TYR  15           1HB      TYR  15   4.230  -1.693   2.829
  118    HB3  TYR  15           2HB      TYR  15   4.164  -1.902   1.096
  119    HD1  TYR  15           HD1      TYR  15   5.871  -3.176   4.195
  120    HD2  TYR  15           HD2      TYR  15   5.014  -3.993   0.062
  121    HE1  TYR  15           HE1      TYR  15   6.783  -5.434   4.454
  122    HE2  TYR  15           HE2      TYR  15   5.927  -6.247   0.321
  123    HH   TYR  15           HH       TYR  15   7.230  -7.380   3.451
  124    H    ASP  16           H        ASP  16   5.637  -0.361  -0.741
  125    HA   ASP  16           HA       ASP  16   7.860  -2.030  -1.804
  126    HB2  ASP  16           2HB      ASP  16   5.651  -1.835  -3.086
  127    HB3  ASP  16           1HB      ASP  16   6.095  -0.170  -3.387
  128    HD2  ASP  16           HD2      ASP  16   6.950  -3.416  -3.819
  129    H    LYS  17           H        LYS  17   7.179   1.448  -1.220
  130    HA   LYS  17           HA       LYS  17   9.832   2.267  -2.281
  131    HB2  LYS  17           1HB      LYS  17   7.746   3.849  -0.667
  132    HB3  LYS  17           2HB      LYS  17   9.264   4.531  -1.198
  133    HG2  LYS  17           2HG      LYS  17   7.101   3.468  -3.119
  134    HG3  LYS  17           1HG      LYS  17   7.284   5.140  -2.616
  135    HD2  LYS  17           2HD      LYS  17   9.610   5.204  -3.627
  136    HD3  LYS  17           1HD      LYS  17   9.410   3.536  -4.175
  137    HE2  LYS  17           2HE      LYS  17   7.410   4.231  -5.582
  138    HE3  LYS  17           1HE      LYS  17   7.609   5.904  -5.037
  139    HZ1  LYS  17           2HZ      LYS  17   9.652   4.341  -6.518
  140    HZ3  LYS  17           1HZ      LYS  17   9.836   5.886  -6.015
  141    H    VAL  18           H        VAL  18   8.773   0.723   0.466
  142    HA   VAL  18           HA       VAL  18  10.730   1.854   2.405
  143    HB   VAL  18           HB       VAL  18   8.366   0.078   2.949
  144   HG11  VAL  18          3HG2      VAL  18  10.475   0.589   5.028
  145   HG12  VAL  18          1HG2      VAL  18  10.022  -0.976   4.276
  146   HG13  VAL  18          2HG2      VAL  18   8.843  -0.126   5.281
  147   HG21  VAL  18          1HG1      VAL  18   7.884   2.517   2.885
  148   HG22  VAL  18          2HG1      VAL  18   7.638   1.841   4.504
  149   HG23  VAL  18          3HG1      VAL  18   9.108   2.792   4.155
  150    H    LYS  19           H        LYS  19   9.831  -1.287   1.037
  151    HA   LYS  19           HA       LYS  19  12.212  -2.690   1.891
  152    HB2  LYS  19           1HB      LYS  19  10.066  -3.714   1.130
  153    HB3  LYS  19           2HB      LYS  19  10.361  -3.226  -0.523
  154    HG2  LYS  19           2HG      LYS  19  12.420  -5.003   0.920
  155    HG3  LYS  19           1HG      LYS  19  10.876  -5.700   0.468
  156    HD2  LYS  19           2HD      LYS  19  11.199  -5.136  -1.918
  157    HD3  LYS  19           1HD      LYS  19  12.722  -4.335  -1.599
  158    HE2  LYS  19           2HE      LYS  19  12.186  -7.338  -1.058
  159    HE3  LYS  19           1HE      LYS  19  12.912  -6.697  -2.530
  160    HZ1  LYS  19           2HZ      LYS  19  14.062  -6.371   0.183
  161    HZ3  LYS  19           1HZ      LYS  19  14.719  -5.784  -1.194
  162    H    GLU  20           H        GLU  20  12.014  -0.173  -0.418
  163    HA   GLU  20           HA       GLU  20  14.247  -1.066  -2.147
  164    HB2  GLU  20           2HB      GLU  20  12.092  -0.255  -3.197
  165    HB3  GLU  20           1HB      GLU  20  12.460   1.314  -2.527
  166    HG2  GLU  20           2HG      GLU  20  14.252  -0.245  -4.474
  167    HG3  GLU  20           1HG      GLU  20  12.993   0.877  -4.985
  168    HE2  GLU  20           HE2      GLU  20  13.130   2.975  -4.250
  169    HN1  NH2  21           2HN      NH2  21  13.490   2.110  -0.808
  170    HN2  NH2  21           1HN      NH2  21  14.212   1.355   0.621
  Start of MODEL   15
    1    H1   ACE   1           3HA      ACE   1 -12.887  -4.509  -3.341
    2    H2   ACE   1           1HA      ACE   1 -13.666  -4.698  -1.753
    3    H3   ACE   1           2HA      ACE   1 -11.908  -4.390  -1.860
    4    H    GLU   1           H        GLU   1 -14.213  -2.851  -0.632
    5    HA   GLU   1           HA       GLU   1 -14.675  -0.438  -1.946
    6    HB2  GLU   1           1HB      GLU   1 -14.761  -0.914   1.082
    7    HB3  GLU   1           2HB      GLU   1 -15.523   0.375   0.224
    8    HG2  GLU   1           2HG      GLU   1 -17.304  -0.954   0.577
    9    HG3  GLU   1           1HG      GLU   1 -16.929  -1.191  -1.120
   10    HE2  GLU   1           HE2      GLU   1 -16.495  -4.182   1.627
   11    H    SER   2           H        SER   2 -14.307   1.619  -0.250
   12    HA   SER   2           HA       SER   2 -11.886   2.861  -1.055
   13    HB2  SER   2           2HB      SER   2 -13.987   4.002  -0.204
   14    HB3  SER   2           1HB      SER   2 -13.388   3.698   1.404
   15    HG   SER   2           HG       SER   2 -12.014   5.099  -0.640
   16    H    ALA   3           H        ALA   3 -12.575   1.630   2.127
   17    HA   ALA   3           HA       ALA   3  -9.701   1.851   2.966
   18    HB1  ALA   3           3HB      ALA   3 -11.581   2.295   4.622
   19    HB2  ALA   3           1HB      ALA   3 -10.493   1.007   5.212
   20    HB3  ALA   3           2HB      ALA   3 -12.074   0.575   4.500
   21    H    LYS   4           H        LYS   4 -10.653   0.019   1.049
   22    HA   LYS   4           HA       LYS   4  -8.632  -2.076   1.460
   23    HB2  LYS   4           1HB      LYS   4 -11.102  -2.933   1.976
   24    HB3  LYS   4           2HB      LYS   4 -11.381  -2.819   0.243
   25    HG2  LYS   4           1HG      LYS   4  -9.596  -4.568  -0.153
   26    HG3  LYS   4           2HG      LYS   4  -9.208  -4.581   1.568
   27    HD2  LYS   4           2HD      LYS   4 -11.551  -5.412   2.092
   28    HD3  LYS   4           1HD      LYS   4 -11.956  -5.338   0.387
   29    HE2  LYS   4           2HE      LYS   4 -11.506  -7.644   0.851
   30    HE3  LYS   4           1HE      LYS   4 -10.150  -7.076  -0.119
   31    HZ1  LYS   4           2HZ      LYS   4  -8.853  -6.865   1.918
   32    HZ3  LYS   4           1HZ      LYS   4  -9.400  -8.393   1.721
   33    H    HIS   5           H        HIS   5  -9.372   0.257  -0.246
   34    HA   HIS   5           HA       HIS   5  -7.676  -0.479  -2.615
   35    HB2  HIS   5           2HB      HIS   5 -10.102   0.308  -3.135
   36    HB3  HIS   5           1HB      HIS   5  -9.695   1.874  -2.446
   37    HD2  HIS   5           HD2      HIS   5  -8.547  -0.575  -5.297
   38    HE1  HIS   5           HE1      HIS   5  -7.394   3.233  -6.512
   39    HE2  HIS   5           HE2      HIS   5  -7.492   0.794  -7.316
   40    H    MET   6           H        MET   6  -8.128   1.851   0.042
   41    HA   MET   6           HA       MET   6  -5.653   3.340  -0.661
   42    HB2  MET   6           1HB      MET   6  -6.043   4.694   1.399
   43    HB3  MET   6           2HB      MET   6  -7.407   4.824   0.292
   44    HG2  MET   6           1HG      MET   6  -8.882   3.748   1.755
   45    HG3  MET   6           2HG      MET   6  -7.614   2.878   2.627
   46    HE1  MET   6           3HE      MET   6  -9.049   3.707   4.808
   47    HE2  MET   6           1HE      MET   6 -10.121   4.771   3.848
   48    HE3  MET   6           2HE      MET   6  -9.240   5.427   5.260
   49    H    PHE   7           H        PHE   7  -6.916   1.060   1.781
   50    HA   PHE   7           HA       PHE   7  -4.343   0.646   3.098
   51    HB2  PHE   7           2HB      PHE   7  -7.073  -0.617   3.065
   52    HB3  PHE   7           1HB      PHE   7  -5.839  -1.679   3.642
   53    HD1  PHE   7           HD1      PHE   7  -4.493  -1.024   5.726
   54    HD2  PHE   7           HD2      PHE   7  -7.844   1.323   4.390
   55    HE1  PHE   7           HE1      PHE   7  -4.576   0.095   7.889
   56    HE2  PHE   7           HE2      PHE   7  -7.928   2.439   6.550
   57    HZ   PHE   7           HZ       PHE   7  -6.297   1.841   8.340
   58    H    ASP   8           H        ASP   8  -6.007  -1.009   0.475
   59    HA   ASP   8           HA       ASP   8  -4.145  -3.138  -0.074
   60    HB2  ASP   8           2HB      ASP   8  -6.386  -2.733  -1.186
   61    HB3  ASP   8           1HB      ASP   8  -5.658  -1.570  -2.253
   62    HD2  ASP   8           HD2      ASP   8  -5.163  -5.550  -2.751
   63    H    ARG   9           H        ARG   9  -4.235   0.148  -1.489
   64    HA   ARG   9           HA       ARG   9  -1.634  -0.044  -2.835
   65    HB2  ARG   9           1HB      ARG   9  -3.464   2.351  -2.325
   66    HB3  ARG   9           2HB      ARG   9  -1.797   2.646  -2.749
   67    HG2  ARG   9           1HG      ARG   9  -3.067   2.758  -4.773
   68    HG3  ARG   9           2HG      ARG   9  -1.947   1.408  -4.850
   69    HD2  ARG   9           1HD      ARG   9  -3.907  -0.175  -4.301
   70    HD3  ARG   9           2HD      ARG   9  -5.001   1.218  -4.389
   71   HH11  ARG   9          2HH1      ARG   9  -5.287  -1.363  -5.267
   72   HH12  ARG   9          1HH1      ARG   9  -5.716  -2.074  -6.903
   73   HH21  ARG   9          1HH2      ARG   9  -4.265   0.509  -8.658
   74   HH22  ARG   9          2HH2      ARG   9  -5.175  -1.084  -8.692
   75    H    ILE  10           H        ILE  10  -2.499   1.729   0.211
   76    HA   ILE  10           HA       ILE  10   0.087   2.524   1.009
   77    HB   ILE  10           HB       ILE  10  -2.424   1.670   2.416
   78   HG12  ILE  10          2HG1      ILE  10  -1.124   4.443   2.201
   79   HG13  ILE  10          1HG1      ILE  10  -2.238   3.814   1.010
   80   HG21  ILE  10          1HG2      ILE  10  -0.101   2.773   4.020
   81   HG22  ILE  10          2HG2      ILE  10  -1.794   2.561   4.586
   82   HG23  ILE  10          3HG2      ILE  10  -0.846   1.145   4.140
   83   HD11  ILE  10          3HD1      ILE  10  -3.592   5.174   2.369
   84   HD12  ILE  10          1HD1      ILE  10  -4.015   3.500   2.802
   85   HD13  ILE  10          2HD1      ILE  10  -2.974   4.448   3.893
   86    H    GLY  11           H        GLY  11  -1.392  -0.582   1.565
   87    HA2  GLY  11           1HA      GLY  11   0.639  -1.921   3.068
   88    HA3  GLY  11           2HA      GLY  11  -0.506  -2.767   1.981
   89    H    LYS  12           H        LYS  12   0.581  -1.381  -0.346
   90    HA   LYS  12           HA       LYS  12   3.441  -2.223  -0.578
   91    HB2  LYS  12           1HB      LYS  12   1.850  -4.194  -1.309
   92    HB3  LYS  12           2HB      LYS  12   1.389  -3.203  -2.687
   93    HG2  LYS  12           2HG      LYS  12   3.807  -3.199  -3.461
   94    HG3  LYS  12           1HG      LYS  12   4.273  -4.113  -2.024
   95    HD2  LYS  12           1HD      LYS  12   2.794  -6.027  -2.773
   96    HD3  LYS  12           2HD      LYS  12   2.319  -5.100  -4.202
   97    HE2  LYS  12           1HE      LYS  12   4.748  -5.040  -4.970
   98    HE3  LYS  12           2HE      LYS  12   5.222  -5.970  -3.541
   99    HZ1  LYS  12           2HZ      LYS  12   3.751  -7.754  -4.299
  100    HZ3  LYS  12           1HZ      LYS  12   3.316  -6.895  -5.620
  101    H    ASP  13           H        ASP  13   2.526   0.284  -0.297
  102    HA   ASP  13           HA       ASP  13   3.862   1.566  -2.653
  103    HB2  ASP  13           2HB      ASP  13   1.266   2.042  -2.322
  104    HB3  ASP  13           1HB      ASP  13   1.777   2.936  -0.947
  105    HD2  ASP  13           HD2      ASP  13   2.413   4.351  -4.685
  106    H    VAL  14           H        VAL  14   3.037   1.981   0.779
  107    HA   VAL  14           HA       VAL  14   5.909   2.874   1.044
  108    HB   VAL  14           HB       VAL  14   5.560   4.233   2.914
  109   HG11  VAL  14          3HG2      VAL  14   3.762   5.076   0.571
  110   HG12  VAL  14          1HG2      VAL  14   5.534   5.183   0.630
  111   HG13  VAL  14          2HG2      VAL  14   4.548   6.181   1.746
  112   HG21  VAL  14          1HG1      VAL  14   3.474   3.214   3.918
  113   HG22  VAL  14          2HG1      VAL  14   2.507   3.800   2.548
  114   HG23  VAL  14          3HG1      VAL  14   3.245   4.967   3.689
  115    H    TYR  15           H        TYR  15   5.126   0.755   0.766
  116    HA   TYR  15           HA       TYR  15   6.620  -0.814   2.861
  117    HB2  TYR  15           2HB      TYR  15   4.224  -1.518   3.097
  118    HB3  TYR  15           1HB      TYR  15   4.167  -1.850   1.383
  119    HD1  TYR  15           HD2      TYR  15   5.902  -2.876   4.564
  120    HD2  TYR  15           HD1      TYR  15   5.017  -4.007   0.510
  121    HE1  TYR  15           HE2      TYR  15   6.834  -5.102   4.983
  122    HE2  TYR  15           HE1      TYR  15   5.952  -6.229   0.931
  123    HH   TYR  15           HH       TYR  15   6.917  -7.588   2.412
  124    H    ASP  16           H        ASP  16   5.654  -0.393  -0.532
  125    HA   ASP  16           HA       ASP  16   7.988  -2.063  -1.386
  126    HB2  ASP  16           1HB      ASP  16   5.734  -2.186  -2.687
  127    HB3  ASP  16           2HB      ASP  16   6.127  -0.573  -3.238
  128    HD2  ASP  16           HD2      ASP  16   6.976  -3.828  -3.236
  129    H    LYS  17           H        LYS  17   7.125   1.385  -1.095
  130    HA   LYS  17           HA       LYS  17   9.626   2.248  -2.397
  131    HB2  LYS  17           1HB      LYS  17   7.650   3.769  -0.593
  132    HB3  LYS  17           2HB      LYS  17   9.090   4.512  -1.264
  133    HG2  LYS  17           1HG      LYS  17   8.341   4.207  -3.578
  134    HG3  LYS  17           2HG      LYS  17   6.961   3.235  -3.080
  135    HD2  LYS  17           1HD      LYS  17   6.017   5.216  -1.804
  136    HD3  LYS  17           2HD      LYS  17   7.379   6.203  -2.351
  137    HE2  LYS  17           1HE      LYS  17   6.673   5.812  -4.772
  138    HE3  LYS  17           2HE      LYS  17   5.309   4.831  -4.210
  139    HZ1  LYS  17           2HZ      LYS  17   5.758   7.698  -3.591
  140    HZ3  LYS  17           1HZ      LYS  17   4.676   7.105  -4.664
  141    H    VAL  18           H        VAL  18   8.881   0.895   0.777
  142    HA   VAL  18           HA       VAL  18  11.233   2.130   2.054
  143    HB   VAL  18           HB       VAL  18  10.642   1.375   4.064
  144   HG11  VAL  18          3HG2      VAL  18   7.917   2.107   2.880
  145   HG12  VAL  18          1HG2      VAL  18   8.326   2.219   4.604
  146   HG13  VAL  18          2HG2      VAL  18   9.149   3.266   3.419
  147   HG21  VAL  18          1HG1      VAL  18   8.709  -0.125   4.767
  148   HG22  VAL  18          2HG1      VAL  18   8.676  -0.646   3.060
  149   HG23  VAL  18          3HG1      VAL  18  10.125  -0.897   4.034
  150    H    LYS  19           H        LYS  19   9.992  -1.059   1.396
  151    HA   LYS  19           HA       LYS  19  12.414  -2.534   1.870
  152    HB2  LYS  19           1HB      LYS  19  10.092  -3.508   1.558
  153    HB3  LYS  19           2HB      LYS  19  10.207  -3.217  -0.166
  154    HG2  LYS  19           1HG      LYS  19  10.578  -5.550   0.263
  155    HG3  LYS  19           2HG      LYS  19  12.085  -4.883  -0.338
  156    HD2  LYS  19           2HD      LYS  19  12.987  -4.792   2.035
  157    HD3  LYS  19           1HD      LYS  19  11.450  -5.420   2.643
  158    HE2  LYS  19           1HE      LYS  19  11.794  -7.553   1.296
  159    HE3  LYS  19           2HE      LYS  19  13.330  -6.920   0.687
  160    HZ1  LYS  19           2HZ      LYS  19  14.114  -6.798   2.986
  161    HZ3  LYS  19           1HZ      LYS  19  12.695  -7.383   3.549
  162    H    GLU  20           H        GLU  20  11.949  -0.288  -0.636
  163    HA   GLU  20           HA       GLU  20  13.865  -1.486  -2.564
  164    HB2  GLU  20           1HB      GLU  20  11.699  -0.744  -3.463
  165    HB3  GLU  20           2HB      GLU  20  12.042   0.873  -2.887
  166    HG2  GLU  20           2HG      GLU  20  13.995   1.061  -4.465
  167    HG3  GLU  20           1HG      GLU  20  13.736  -0.598  -5.005
  168    HE2  GLU  20           HE2      GLU  20  11.978  -1.069  -6.118
  169    HN1  NH2  21           2HN      NH2  21  13.469   1.877  -1.559
  170    HN2  NH2  21           1HN      NH2  21  14.328   1.244  -0.147
  Start of MODEL   16
    1    H1   ACE   1           3HA      ACE   1 -13.837  -4.033   1.475
    2    H2   ACE   1           1HA      ACE   1 -13.552  -4.412  -0.240
    3    H3   ACE   1           2HA      ACE   1 -15.188  -3.956   0.320
    4    H    GLU   1           H        GLU   1 -14.985  -2.313  -1.372
    5    HA   GLU   1           HA       GLU   1 -14.171  -0.365  -2.552
    6    HB2  GLU   1           2HB      GLU   1 -15.516   0.137   0.126
    7    HB3  GLU   1           1HB      GLU   1 -15.533   1.268  -1.222
    8    HG2  GLU   1           1HG      GLU   1 -16.942  -1.387  -1.138
    9    HG3  GLU   1           2HG      GLU   1 -17.627   0.244  -1.045
   10    HE2  GLU   1           HE2      GLU   1 -16.747  -1.445  -4.595
   11    H    SER   2           H        SER   2 -14.088   1.849  -0.681
   12    HA   SER   2           HA       SER   2 -11.498   2.941  -1.092
   13    HB2  SER   2           2HB      SER   2 -13.599   4.133  -0.268
   14    HB3  SER   2           1HB      SER   2 -13.147   3.613   1.327
   15    HG   SER   2           HG       SER   2 -12.353   5.680   0.822
   16    H    ALA   3           H        ALA   3 -12.559   1.283   1.753
   17    HA   ALA   3           HA       ALA   3  -9.826   1.311   2.947
   18    HB1  ALA   3           3HB      ALA   3 -12.328  -0.203   3.974
   19    HB2  ALA   3           1HB      ALA   3 -11.902   1.479   4.425
   20    HB3  ALA   3           2HB      ALA   3 -10.856   0.125   4.935
   21    H    LYS   4           H        LYS   4 -10.552  -0.246   0.700
   22    HA   LYS   4           HA       LYS   4  -8.447  -2.266   0.982
   23    HB2  LYS   4           2HB      LYS   4 -10.901  -3.331   1.334
   24    HB3  LYS   4           1HB      LYS   4 -11.063  -3.151  -0.409
   25    HG2  LYS   4           1HG      LYS   4  -9.028  -4.667  -0.710
   26    HG3  LYS   4           2HG      LYS   4  -8.876  -4.821   1.032
   27    HD2  LYS   4           2HD      LYS   4 -11.351  -5.704  -0.599
   28    HD3  LYS   4           1HD      LYS   4 -10.000  -6.756  -0.198
   29    HE2  LYS   4           1HE      LYS   4 -10.448  -6.466   2.275
   30    HE3  LYS   4           2HE      LYS   4 -11.814  -5.403   1.913
   31    HZ1  LYS   4           2HZ      LYS   4 -12.502  -7.669   2.304
   32    HZ3  LYS   4           1HZ      LYS   4 -11.567  -8.241   1.092
   33    H    HIS   5           H        HIS   5  -9.246   0.154  -0.472
   34    HA   HIS   5           HA       HIS   5  -7.599  -0.339  -2.950
   35    HB2  HIS   5           1HB      HIS   5  -9.704   1.902  -2.541
   36    HB3  HIS   5           2HB      HIS   5  -8.649   1.793  -3.936
   37    HD2  HIS   5           HD2      HIS   5  -9.199  -1.601  -4.271
   38    HE1  HIS   5           HE1      HIS   5 -12.989  -0.248  -5.326
   39    HE2  HIS   5           HE2      HIS   5 -11.459  -2.312  -5.459
   40    H    MET   6           H        MET   6  -8.116   1.901  -0.181
   41    HA   MET   6           HA       MET   6  -5.606   3.358  -0.794
   42    HB2  MET   6           1HB      MET   6  -7.244   3.605   1.821
   43    HB3  MET   6           2HB      MET   6  -6.031   4.709   1.199
   44    HG2  MET   6           2HG      MET   6  -7.932   4.732  -0.875
   45    HG3  MET   6           1HG      MET   6  -8.953   4.489   0.534
   46    HE1  MET   6           3HE      MET   6 -10.086   6.950  -0.079
   47    HE2  MET   6           1HE      MET   6  -9.114   8.444  -0.216
   48    HE3  MET   6           2HE      MET   6  -8.915   7.138  -1.421
   49    H    PHE   7           H        PHE   7  -6.893   0.936   1.516
   50    HA   PHE   7           HA       PHE   7  -4.333   0.495   2.867
   51    HB2  PHE   7           2HB      PHE   7  -7.027  -0.864   2.712
   52    HB3  PHE   7           1HB      PHE   7  -5.769  -1.860   3.322
   53    HD1  PHE   7           HD1      PHE   7  -4.607  -1.224   5.510
   54    HD2  PHE   7           HD2      PHE   7  -7.921   1.064   3.996
   55    HE1  PHE   7           HE1      PHE   7  -4.879  -0.167   7.692
   56    HE2  PHE   7           HE2      PHE   7  -8.198   2.114   6.174
   57    HZ   PHE   7           HZ       PHE   7  -6.682   1.512   8.062
   58    H    ASP   8           H        ASP   8  -5.960  -1.009   0.124
   59    HA   ASP   8           HA       ASP   8  -4.080  -3.115  -0.484
   60    HB2  ASP   8           1HB      ASP   8  -6.287  -2.697  -1.593
   61    HB3  ASP   8           2HB      ASP   8  -5.579  -1.481  -2.616
   62    HD2  ASP   8           HD2      ASP   8  -4.217  -2.069  -4.120
   63    H    ARG   9           H        ARG   9  -4.177   0.231  -1.749
   64    HA   ARG   9           HA       ARG   9  -1.574   0.168  -3.088
   65    HB2  ARG   9           1HB      ARG   9  -3.094   2.666  -2.127
   66    HB3  ARG   9           2HB      ARG   9  -1.664   2.720  -3.135
   67    HG2  ARG   9           2HG      ARG   9  -4.376   1.509  -3.984
   68    HG3  ARG   9           1HG      ARG   9  -3.775   3.101  -4.368
   69    HD2  ARG   9           2HD      ARG   9  -3.356   1.940  -6.346
   70    HD3  ARG   9           1HD      ARG   9  -1.764   1.993  -5.587
   71   HH11  ARG   9          1HH2      ARG   9  -1.503   0.977  -7.619
   72   HH12  ARG   9          2HH2      ARG   9  -1.096  -0.685  -8.283
   73   HH21  ARG   9          1HH1      ARG   9  -2.639  -2.344  -5.687
   74   HH22  ARG   9          2HH1      ARG   9  -1.698  -2.439  -7.259
   75    H    ILE  10           H        ILE  10  -2.452   1.726   0.057
   76    HA   ILE  10           HA       ILE  10   0.133   2.460   0.925
   77    HB   ILE  10           HB       ILE  10  -2.401   1.544   2.254
   78   HG12  ILE  10          1HG1      ILE  10  -1.088   4.320   2.207
   79   HG13  ILE  10          2HG1      ILE  10  -2.188   3.764   0.970
   80   HG21  ILE  10          1HG2      ILE  10  -0.846   0.916   3.962
   81   HG22  ILE  10          2HG2      ILE  10  -0.087   2.541   3.938
   82   HG23  ILE  10          3HG2      ILE  10  -1.788   2.313   4.476
   83   HD11  ILE  10          3HD1      ILE  10  -3.996   3.365   2.700
   84   HD12  ILE  10          1HD1      ILE  10  -2.968   4.227   3.872
   85   HD13  ILE  10          2HD1      ILE  10  -3.546   5.059   2.389
   86    H    GLY  11           H        GLY  11  -1.375  -0.661   1.281
   87    HA2  GLY  11           2HA      GLY  11   0.612  -2.119   2.724
   88    HA3  GLY  11           1HA      GLY  11  -0.507  -2.874   1.549
   89    H    LYS  12           H        LYS  12   0.629  -1.338  -0.657
   90    HA   LYS  12           HA       LYS  12   3.487  -2.172  -0.885
   91    HB2  LYS  12           1HB      LYS  12   1.951  -4.112  -1.729
   92    HB3  LYS  12           2HB      LYS  12   1.485  -3.077  -3.070
   93    HG2  LYS  12           2HG      LYS  12   3.858  -3.003  -3.864
   94    HG3  LYS  12           1HG      LYS  12   4.417  -3.880  -2.451
   95    HD2  LYS  12           2HD      LYS  12   2.453  -5.023  -4.546
   96    HD3  LYS  12           1HD      LYS  12   4.201  -5.206  -4.618
   97    HE2  LYS  12           1HE      LYS  12   4.194  -6.434  -2.392
   98    HE3  LYS  12           2HE      LYS  12   2.432  -6.297  -2.324
   99    HZ1  LYS  12           2HZ      LYS  12   2.283  -7.556  -4.367
  100    HZ3  LYS  12           1HZ      LYS  12   3.081  -8.400  -3.217
  101    H    ASP  13           H        ASP  13   2.602   0.290  -0.468
  102    HA   ASP  13           HA       ASP  13   3.965   1.720  -2.717
  103    HB2  ASP  13           1HB      ASP  13   1.365   2.170  -2.408
  104    HB3  ASP  13           2HB      ASP  13   1.846   2.978  -0.969
  105    HD2  ASP  13           HD2      ASP  13   3.153   5.802  -2.499
  106    H    VAL  14           H        VAL  14   3.065   1.889   0.716
  107    HA   VAL  14           HA       VAL  14   5.921   2.775   1.118
  108    HB   VAL  14           HB       VAL  14   5.516   3.984   3.075
  109   HG11  VAL  14          1HG1      VAL  14   3.775   4.995   0.756
  110   HG12  VAL  14          2HG1      VAL  14   4.526   6.011   2.029
  111   HG13  VAL  14          3HG1      VAL  14   5.545   5.105   0.867
  112   HG21  VAL  14          3HG2      VAL  14   3.172   4.653   3.832
  113   HG22  VAL  14          1HG2      VAL  14   2.476   3.568   2.588
  114   HG23  VAL  14          2HG2      VAL  14   3.404   2.889   3.942
  115    H    TYR  15           H        TYR  15   5.190   0.691   0.661
  116    HA   TYR  15           HA       TYR  15   6.665  -1.040   2.645
  117    HB2  TYR  15           2HB      TYR  15   4.320  -1.831   2.839
  118    HB3  TYR  15           1HB      TYR  15   4.197  -1.938   1.100
  119    HD1  TYR  15           HD2      TYR  15   6.094  -3.355   4.040
  120    HD2  TYR  15           HD1      TYR  15   4.987  -3.959  -0.072
  121    HE1  TYR  15           HE2      TYR  15   7.149  -5.561   4.080
  122    HE2  TYR  15           HE1      TYR  15   6.045  -6.163  -0.030
  123    HH   TYR  15           HH       TYR  15   7.186  -7.651   1.176
  124    H    ASP  16           H        ASP  16   5.668  -0.325  -0.734
  125    HA   ASP  16           HA       ASP  16   7.925  -1.921  -1.857
  126    HB2  ASP  16           2HB      ASP  16   5.731  -1.725  -3.138
  127    HB3  ASP  16           1HB      ASP  16   6.111  -0.030  -3.349
  128    HD2  ASP  16           HD2      ASP  16   8.340  -0.516  -5.942
  129    H    LYS  17           H        LYS  17   7.200   1.514  -1.140
  130    HA   LYS  17           HA       LYS  17   9.819   2.451  -2.175
  131    HB2  LYS  17           2HB      LYS  17   7.709   3.846  -0.418
  132    HB3  LYS  17           1HB      LYS  17   9.182   4.624  -0.964
  133    HG2  LYS  17           1HG      LYS  17   8.533   4.498  -3.326
  134    HG3  LYS  17           2HG      LYS  17   7.138   3.486  -2.963
  135    HD2  LYS  17           1HD      LYS  17   6.134   5.360  -1.572
  136    HD3  LYS  17           2HD      LYS  17   7.500   6.394  -2.008
  137    HE2  LYS  17           1HE      LYS  17   6.870   6.171  -4.469
  138    HE3  LYS  17           2HE      LYS  17   5.509   5.129  -4.023
  139    HZ1  LYS  17           2HZ      LYS  17   5.880   7.950  -3.182
  140    HZ3  LYS  17           1HZ      LYS  17   4.847   7.419  -4.332
  141    H    VAL  18           H        VAL  18   8.804   0.757   0.523
  142    HA   VAL  18           HA       VAL  18  10.770   1.817   2.493
  143    HB   VAL  18           HB       VAL  18   8.400   0.031   2.984
  144   HG11  VAL  18          1HG1      VAL  18  10.498   0.490   5.084
  145   HG12  VAL  18          2HG1      VAL  18  10.051  -1.055   4.287
  146   HG13  VAL  18          3HG1      VAL  18   8.865  -0.234   5.308
  147   HG21  VAL  18          3HG2      VAL  18   7.661   1.749   4.577
  148   HG22  VAL  18          1HG2      VAL  18   7.906   2.463   2.976
  149   HG23  VAL  18          2HG2      VAL  18   9.126   2.717   4.255
  150    H    LYS  19           H        LYS  19   9.850  -1.279   1.037
  151    HA   LYS  19           HA       LYS  19  12.238  -2.701   1.862
  152    HB2  LYS  19           1HB      LYS  19   9.976  -3.640   1.105
  153    HB3  LYS  19           2HB      LYS  19  10.414  -3.264  -0.558
  154    HG2  LYS  19           2HG      LYS  19  12.333  -4.898  -0.407
  155    HG3  LYS  19           1HG      LYS  19  11.994  -5.162   1.307
  156    HD2  LYS  19           2HD      LYS  19   9.691  -6.049   0.708
  157    HD3  LYS  19           1HD      LYS  19  10.043  -5.797  -1.005
  158    HE2  LYS  19           2HE      LYS  19  11.979  -7.439  -0.851
  159    HE3  LYS  19           1HE      LYS  19  11.638  -7.681   0.870
  160    HZ1  LYS  19           2HZ      LYS  19   9.458  -8.518   0.286
  161    HZ3  LYS  19           1HZ      LYS  19  10.631  -9.391  -0.446
  162    H    GLU  20           H        GLU  20  12.047  -0.155  -0.365
  163    HA   GLU  20           HA       GLU  20  14.183  -1.086  -2.199
  164    HB2  GLU  20           1HB      GLU  20  12.090  -0.245  -3.228
  165    HB3  GLU  20           2HB      GLU  20  12.362   1.285  -2.426
  166    HG2  GLU  20           1HG      GLU  20  14.471   1.656  -3.759
  167    HG3  GLU  20           2HG      GLU  20  14.269   0.079  -4.525
  168    HE2  GLU  20           HE2      GLU  20  13.047   3.201  -4.147
  169    HN1  NH2  21           2HN      NH2  21  14.324   1.313   0.587
  170    HN2  NH2  21           1HN      NH2  21  13.570   2.100  -0.809
  Start of MODEL   17
    1    H1   ACE   1           3HA      ACE   1 -12.596  -4.903  -2.060
    2    H2   ACE   1           1HA      ACE   1 -13.042  -4.583  -0.368
    3    H3   ACE   1           2HA      ACE   1 -14.313  -4.739  -1.616
    4    H    GLU   1           H        GLU   1 -14.634  -2.595  -0.335
    5    HA   GLU   1           HA       GLU   1 -14.458  -0.460  -2.140
    6    HB2  GLU   1           2HB      GLU   1 -15.265  -0.565   0.829
    7    HB3  GLU   1           1HB      GLU   1 -15.553   0.833  -0.162
    8    HG2  GLU   1           1HG      GLU   1 -16.942  -0.250  -1.744
    9    HG3  GLU   1           2HG      GLU   1 -16.678  -1.845  -1.023
   10    HE2  GLU   1           HE2      GLU   1 -18.849  -1.397   1.647
   11    H    SER   2           H        SER   2 -14.173   1.744  -0.433
   12    HA   SER   2           HA       SER   2 -11.634   2.859  -1.003
   13    HB2  SER   2           2HB      SER   2 -13.749   4.045  -0.210
   14    HB3  SER   2           1HB      SER   2 -13.228   3.668   1.406
   15    HG   SER   2           HG       SER   2 -11.718   5.082  -0.534
   16    H    ALA   3           H        ALA   3 -12.582   1.413   2.008
   17    HA   ALA   3           HA       ALA   3  -9.824   1.573   3.117
   18    HB1  ALA   3           3HB      ALA   3 -11.868   1.801   4.625
   19    HB2  ALA   3           1HB      ALA   3 -10.781   0.508   5.203
   20    HB3  ALA   3           2HB      ALA   3 -12.267   0.083   4.303
   21    H    LYS   4           H        LYS   4 -10.557  -0.141   0.993
   22    HA   LYS   4           HA       LYS   4  -8.417  -2.109   1.344
   23    HB2  LYS   4           1HB      LYS   4 -10.762  -3.229   1.899
   24    HB3  LYS   4           2HB      LYS   4 -11.136  -3.026   0.198
   25    HG2  LYS   4           2HG      LYS   4 -10.507  -5.335   0.613
   26    HG3  LYS   4           1HG      LYS   4  -9.273  -4.627  -0.408
   27    HD2  LYS   4           2HD      LYS   4  -7.784  -4.313   1.672
   28    HD3  LYS   4           1HD      LYS   4  -9.058  -5.028   2.646
   29    HE2  LYS   4           1HE      LYS   4  -7.450  -6.768   2.267
   30    HE3  LYS   4           2HE      LYS   4  -8.856  -7.196   1.297
   31    HZ1  LYS   4           2HZ      LYS   4  -6.402  -5.859   0.277
   32    HZ3  LYS   4           1HZ      LYS   4  -7.697  -6.248  -0.641
   33    H    HIS   5           H        HIS   5  -9.271   0.203  -0.218
   34    HA   HIS   5           HA       HIS   5  -7.665  -0.388  -2.694
   35    HB2  HIS   5           1HB      HIS   5  -9.879   1.751  -2.280
   36    HB3  HIS   5           2HB      HIS   5  -8.786   1.798  -3.644
   37    HD2  HIS   5           HD2      HIS   5  -8.864  -1.462  -4.361
   38    HE1  HIS   5           HE1      HIS   5 -12.769  -0.515  -5.434
   39    HE2  HIS   5           HE2      HIS   5 -10.932  -2.277  -5.805
   40    H    MET   6           H        MET   6  -8.148   1.982  -0.044
   41    HA   MET   6           HA       MET   6  -5.653   3.420  -0.762
   42    HB2  MET   6           1HB      MET   6  -7.243   3.805   1.865
   43    HB3  MET   6           2HB      MET   6  -6.067   4.887   1.146
   44    HG2  MET   6           1HG      MET   6  -8.040   4.769  -0.871
   45    HG3  MET   6           2HG      MET   6  -9.001   4.572   0.582
   46    HE1  MET   6           3HE      MET   6  -5.782   6.792  -0.539
   47    HE2  MET   6           1HE      MET   6  -7.131   7.089  -1.680
   48    HE3  MET   6           2HE      MET   6  -6.595   8.384  -0.569
   49    H    PHE   7           H        PHE   7  -6.902   1.132   1.700
   50    HA   PHE   7           HA       PHE   7  -4.320   0.764   3.032
   51    HB2  PHE   7           2HB      PHE   7  -7.014  -0.601   3.001
   52    HB3  PHE   7           1HB      PHE   7  -5.745  -1.551   3.657
   53    HD1  PHE   7           HD1      PHE   7  -7.904   1.399   4.172
   54    HD2  PHE   7           HD2      PHE   7  -4.554  -0.767   5.783
   55    HE1  PHE   7           HE1      PHE   7  -8.158   2.586   6.281
   56    HE2  PHE   7           HE2      PHE   7  -4.802   0.427   7.895
   57    HZ   PHE   7           HZ       PHE   7  -6.611   2.116   8.182
   58    H    ASP   8           H        ASP   8  -5.998  -0.898   0.409
   59    HA   ASP   8           HA       ASP   8  -4.133  -3.039  -0.102
   60    HB2  ASP   8           1HB      ASP   8  -6.364  -2.669  -1.205
   61    HB3  ASP   8           2HB      ASP   8  -5.651  -1.527  -2.306
   62    HD2  ASP   8           HD2      ASP   8  -5.754  -4.721  -1.227
   63    H    ARG   9           H        ARG   9  -4.242   0.235  -1.549
   64    HA   ARG   9           HA       ARG   9  -1.673   0.113  -2.944
   65    HB2  ARG   9           1HB      ARG   9  -3.318   2.572  -2.078
   66    HB3  ARG   9           2HB      ARG   9  -1.785   2.721  -2.925
   67    HG2  ARG   9           1HG      ARG   9  -2.649   1.443  -4.882
   68    HG3  ARG   9           2HG      ARG   9  -4.198   1.193  -4.079
   69    HD2  ARG   9           2HD      ARG   9  -4.574   3.721  -4.016
   70    HD3  ARG   9           1HD      ARG   9  -3.022   3.958  -4.803
   71   HH11  ARG   9          2HH2      ARG   9  -6.399   2.930  -4.419
   72   HH12  ARG   9          1HH2      ARG   9  -7.678   2.702  -5.715
   73   HH21  ARG   9          2HH1      ARG   9  -5.410   2.871  -8.299
   74   HH22  ARG   9          1HH1      ARG   9  -7.154   2.671  -7.762
   75    H    ILE  10           H        ILE  10  -2.483   1.834   0.133
   76    HA   ILE  10           HA       ILE  10   0.115   2.607   0.922
   77    HB   ILE  10           HB       ILE  10  -2.399   1.772   2.336
   78   HG12  ILE  10          2HG1      ILE  10  -1.080   4.535   2.120
   79   HG13  ILE  10          1HG1      ILE  10  -2.200   3.916   0.929
   80   HG21  ILE  10          1HG2      ILE  10  -1.749   2.659   4.504
   81   HG22  ILE  10          2HG2      ILE  10  -0.056   2.853   3.927
   82   HG23  ILE  10          3HG2      ILE  10  -0.818   1.233   4.051
   83   HD11  ILE  10          3HD1      ILE  10  -3.533   5.293   2.298
   84   HD12  ILE  10          1HD1      ILE  10  -3.984   3.620   2.704
   85   HD13  ILE  10          2HD1      ILE  10  -2.936   4.538   3.815
   86    H    GLY  11           H        GLY  11  -1.387  -0.485   1.468
   87    HA2  GLY  11           1HA      GLY  11   0.626  -1.862   2.957
   88    HA3  GLY  11           2HA      GLY  11  -0.518  -2.681   1.849
   89    H    LYS  12           H        LYS  12   0.568  -1.289  -0.474
   90    HA   LYS  12           HA       LYS  12   3.420  -2.178  -0.727
   91    HB2  LYS  12           1HB      LYS  12   1.238  -3.119  -2.733
   92    HB3  LYS  12           2HB      LYS  12   2.966  -3.285  -3.004
   93    HG2  LYS  12           2HG      LYS  12   3.164  -4.782  -0.974
   94    HG3  LYS  12           1HG      LYS  12   1.414  -4.697  -0.759
   95    HD2  LYS  12           2HD      LYS  12   1.072  -5.683  -3.060
   96    HD3  LYS  12           1HD      LYS  12   2.824  -5.771  -3.285
   97    HE2  LYS  12           2HE      LYS  12   3.003  -7.340  -1.289
   98    HE3  LYS  12           1HE      LYS  12   1.250  -7.253  -1.063
   99    HZ1  LYS  12           2HZ      LYS  12   2.605  -8.244  -3.512
  100    HZ3  LYS  12           1HZ      LYS  12   0.985  -8.164  -3.304
  101    H    ASP  13           H        ASP  13   2.550   0.343  -0.388
  102    HA   ASP  13           HA       ASP  13   3.883   1.633  -2.747
  103    HB2  ASP  13           1HB      ASP  13   1.293   2.124  -2.397
  104    HB3  ASP  13           2HB      ASP  13   1.822   3.008  -1.019
  105    HD2  ASP  13           HD2      ASP  13   1.887   2.776  -4.366
  106    H    VAL  14           H        VAL  14   3.086   2.002   0.689
  107    HA   VAL  14           HA       VAL  14   5.963   2.870   0.959
  108    HB   VAL  14           HB       VAL  14   5.634   4.208   2.842
  109   HG11  VAL  14          1HG1      VAL  14   5.599   5.184   0.563
  110   HG12  VAL  14          2HG1      VAL  14   3.825   5.099   0.524
  111   HG13  VAL  14          3HG1      VAL  14   4.638   6.180   1.702
  112   HG21  VAL  14          3HG2      VAL  14   2.574   3.805   2.480
  113   HG22  VAL  14          1HG2      VAL  14   3.537   3.204   3.845
  114   HG23  VAL  14          2HG2      VAL  14   3.322   4.960   3.628
  115    H    TYR  15           H        TYR  15   5.172   0.768   0.651
  116    HA   TYR  15           HA       TYR  15   6.680  -0.850   2.700
  117    HB2  TYR  15           2HB      TYR  15   4.304  -1.583   2.963
  118    HB3  TYR  15           1HB      TYR  15   4.194  -1.829   1.235
  119    HD1  TYR  15           HD2      TYR  15   5.987  -3.044   4.318
  120    HD2  TYR  15           HD1      TYR  15   5.053  -3.916   0.213
  121    HE1  TYR  15           HE2      TYR  15   7.001  -5.260   4.558
  122    HE2  TYR  15           HE1      TYR  15   6.067  -6.130   0.456
  123    HH   TYR  15           HH       TYR  15   7.525  -7.180   3.543
  124    H    ASP  16           H        ASP  16   5.604  -0.331  -0.694
  125    HA   ASP  16           HA       ASP  16   7.796  -2.036  -1.769
  126    HB2  ASP  16           2HB      ASP  16   5.591  -1.901  -3.016
  127    HB3  ASP  16           1HB      ASP  16   5.959  -0.215  -3.318
  128    HD2  ASP  16           HD2      ASP  16   8.102  -0.812  -5.954
  129    H    LYS  17           H        LYS  17   7.172   1.464  -1.259
  130    HA   LYS  17           HA       LYS  17   9.818   2.198  -2.398
  131    HB2  LYS  17           2HB      LYS  17   7.794   3.880  -0.808
  132    HB3  LYS  17           1HB      LYS  17   9.319   4.505  -1.378
  133    HG2  LYS  17           1HG      LYS  17   7.015   3.515  -3.144
  134    HG3  LYS  17           2HG      LYS  17   7.456   5.178  -2.842
  135    HD2  LYS  17           2HD      LYS  17   9.128   3.125  -4.441
  136    HD3  LYS  17           1HD      LYS  17   8.109   4.385  -5.083
  137    HE2  LYS  17           1HE      LYS  17  10.243   5.309  -5.335
  138    HE3  LYS  17           2HE      LYS  17   9.631   6.146  -3.912
  139    HZ1  LYS  17           2HZ      LYS  17  11.451   3.790  -3.891
  140    HZ3  LYS  17           1HZ      LYS  17  10.902   4.549  -2.551
  141    H    VAL  18           H        VAL  18   8.795   0.763   0.414
  142    HA   VAL  18           HA       VAL  18  10.829   1.906   2.266
  143    HB   VAL  18           HB       VAL  18   8.438   0.207   2.927
  144   HG11  VAL  18          1HG1      VAL  18  10.587   0.776   4.946
  145   HG12  VAL  18          2HG1      VAL  18   8.947   0.102   5.255
  146   HG13  VAL  18          3HG1      VAL  18  10.096  -0.813   4.272
  147   HG21  VAL  18          3HG2      VAL  18   9.241   2.964   3.985
  148   HG22  VAL  18          1HG2      VAL  18   7.766   2.052   4.411
  149   HG23  VAL  18          2HG2      VAL  18   7.985   2.643   2.756
  150    H    LYS  19           H        LYS  19   9.815  -1.255   1.031
  151    HA   LYS  19           HA       LYS  19  12.182  -2.680   1.915
  152    HB2  LYS  19           1HB      LYS  19   9.884  -3.607   1.254
  153    HB3  LYS  19           2HB      LYS  19  10.307  -3.356  -0.436
  154    HG2  LYS  19           2HG      LYS  19  12.184  -5.027  -0.200
  155    HG3  LYS  19           1HG      LYS  19  11.866  -5.164   1.532
  156    HD2  LYS  19           1HD      LYS  19   9.531  -6.026   1.031
  157    HD3  LYS  19           2HD      LYS  19   9.862  -5.904  -0.701
  158    HE2  LYS  19           1HE      LYS  19  11.755  -7.584  -0.459
  159    HE3  LYS  19           2HE      LYS  19  11.437  -7.696   1.279
  160    HZ1  LYS  19           2HZ      LYS  19  10.375  -9.460   0.037
  161    HZ3  LYS  19           1HZ      LYS  19   9.531  -8.405  -0.883
  162    H    GLU  20           H        GLU  20  12.016  -0.278  -0.470
  163    HA   GLU  20           HA       GLU  20  14.071  -1.382  -2.304
  164    HB2  GLU  20           1HB      GLU  20  11.993  -0.471  -3.316
  165    HB3  GLU  20           2HB      GLU  20  12.362   1.057  -2.565
  166    HG2  GLU  20           1HG      GLU  20  12.953   1.222  -4.890
  167    HG3  GLU  20           2HG      GLU  20  14.432   1.308  -3.947
  168    HE2  GLU  20           HE2      GLU  20  13.676  -1.776  -6.474
  169    HN1  NH2  21           2HN      NH2  21  14.385   1.103   0.377
  170    HN2  NH2  21           1HN      NH2  21  13.688   1.896  -1.042
  Start of MODEL   18
    1    H1   ACE   1           3HA      ACE   1 -12.559  -4.897  -2.274
    2    H2   ACE   1           1HA      ACE   1 -14.259  -4.758  -1.762
    3    H3   ACE   1           2HA      ACE   1 -12.944  -4.615  -0.560
    4    H    GLU   1           H        GLU   1 -14.579  -2.656  -0.461
    5    HA   GLU   1           HA       GLU   1 -14.471  -0.488  -2.234
    6    HB2  GLU   1           1HB      GLU   1 -15.286  -0.577   0.730
    7    HB3  GLU   1           2HB      GLU   1 -15.627   0.737  -0.347
    8    HG2  GLU   1           2HG      GLU   1 -17.621  -0.336  -0.353
    9    HG3  GLU   1           1HG      GLU   1 -16.916  -0.733  -1.907
   10    HE2  GLU   1           HE2      GLU   1 -17.534  -3.560   0.968
   11    H    SER   2           H        SER   2 -14.210   1.741  -0.492
   12    HA   SER   2           HA       SER   2 -11.670   2.842  -1.036
   13    HB2  SER   2           2HB      SER   2 -13.792   4.025  -0.249
   14    HB3  SER   2           1HB      SER   2 -13.275   3.642   1.368
   15    HG   SER   2           HG       SER   2 -12.551   5.679   0.678
   16    H    ALA   3           H        ALA   3 -12.640   1.394   1.970
   17    HA   ALA   3           HA       ALA   3  -9.889   1.535   3.091
   18    HB1  ALA   3           3HB      ALA   3 -10.859   0.442   5.160
   19    HB2  ALA   3           1HB      ALA   3 -12.334   0.017   4.243
   20    HB3  ALA   3           2HB      ALA   3 -11.951   1.733   4.588
   21    H    LYS   4           H        LYS   4 -10.616  -0.174   0.949
   22    HA   LYS   4           HA       LYS   4  -8.479  -2.159   1.297
   23    HB2  LYS   4           1HB      LYS   4 -11.306  -2.936   0.293
   24    HB3  LYS   4           2HB      LYS   4  -9.939  -3.988   0.017
   25    HG2  LYS   4           2HG      LYS   4 -11.107  -3.268   2.767
   26    HG3  LYS   4           1HG      LYS   4 -11.373  -4.760   1.898
   27    HD2  LYS   4           1HD      LYS   4  -8.641  -3.820   2.986
   28    HD3  LYS   4           2HD      LYS   4  -9.728  -4.947   3.781
   29    HE2  LYS   4           2HE      LYS   4  -9.502  -6.568   1.829
   30    HE3  LYS   4           1HE      LYS   4  -8.371  -5.455   1.045
   31    HZ1  LYS   4           2HZ      LYS   4  -7.204  -7.129   2.263
   32    HZ3  LYS   4           1HZ      LYS   4  -6.898  -5.669   2.933
   33    H    HIS   5           H        HIS   5  -9.306   0.197  -0.251
   34    HA   HIS   5           HA       HIS   5  -7.654  -0.386  -2.702
   35    HB2  HIS   5           2HB      HIS   5  -9.848   1.779  -2.326
   36    HB3  HIS   5           1HB      HIS   5  -8.720   1.808  -3.666
   37    HD2  HIS   5           HD2      HIS   5  -8.819  -1.419  -4.431
   38    HE1  HIS   5           HE1      HIS   5 -12.707  -0.440  -5.540
   39    HE2  HIS   5           HE2      HIS   5 -10.870  -2.201  -5.918
   40    H    MET   6           H        MET   6  -8.180   1.970  -0.043
   41    HA   MET   6           HA       MET   6  -5.684   3.422  -0.716
   42    HB2  MET   6           2HB      MET   6  -7.272   3.769   1.916
   43    HB3  MET   6           1HB      MET   6  -6.114   4.868   1.194
   44    HG2  MET   6           2HG      MET   6  -8.081   4.782  -0.807
   45    HG3  MET   6           1HG      MET   6  -9.049   4.499   0.626
   46    HE1  MET   6           3HE      MET   6  -5.904   6.835  -0.405
   47    HE2  MET   6           1HE      MET   6  -6.720   8.424  -0.305
   48    HE3  MET   6           2HE      MET   6  -7.267   7.216  -1.504
   49    H    PHE   7           H        PHE   7  -6.942   1.080   1.684
   50    HA   PHE   7           HA       PHE   7  -4.377   0.728   3.061
   51    HB2  PHE   7           1HB      PHE   7  -7.068  -0.640   2.974
   52    HB3  PHE   7           2HB      PHE   7  -5.806  -1.615   3.619
   53    HD1  PHE   7           HD1      PHE   7  -7.956   1.336   4.182
   54    HD2  PHE   7           HD2      PHE   7  -4.633  -0.888   5.771
   55    HE1  PHE   7           HE1      PHE   7  -8.220   2.476   6.316
   56    HE2  PHE   7           HE2      PHE   7  -4.893   0.259   7.909
   57    HZ   PHE   7           HZ       PHE   7  -6.694   1.952   8.218
   58    H    ASP   8           H        ASP   8  -6.001  -0.909   0.395
   59    HA   ASP   8           HA       ASP   8  -4.103  -3.024  -0.123
   60    HB2  ASP   8           2HB      ASP   8  -6.322  -2.672  -1.245
   61    HB3  ASP   8           1HB      ASP   8  -5.623  -1.503  -2.324
   62    HD2  ASP   8           HD2      ASP   8  -4.221  -2.155  -3.781
   63    H    ARG   9           H        ARG   9  -4.239   0.261  -1.536
   64    HA   ARG   9           HA       ARG   9  -1.656   0.194  -2.906
   65    HB2  ARG   9           2HB      ARG   9  -3.348   2.612  -2.017
   66    HB3  ARG   9           1HB      ARG   9  -1.821   2.801  -2.865
   67    HG2  ARG   9           2HG      ARG   9  -2.638   1.569  -4.838
   68    HG3  ARG   9           1HG      ARG   9  -4.161   1.182  -4.064
   69    HD2  ARG   9           1HD      ARG   9  -3.214   4.065  -4.690
   70    HD3  ARG   9           2HD      ARG   9  -4.231   3.089  -5.755
   71   HH11  ARG   9          1HH2      ARG   9  -4.853   5.341  -5.888
   72   HH12  ARG   9          2HH2      ARG   9  -6.335   6.344  -5.483
   73   HH21  ARG   9          1HH1      ARG   9  -7.186   4.393  -2.772
   74   HH22  ARG   9          2HH1      ARG   9  -7.567   5.840  -3.835
   75    H    ILE  10           H        ILE  10  -2.517   1.848   0.194
   76    HA   ILE  10           HA       ILE  10   0.067   2.641   1.014
   77    HB   ILE  10           HB       ILE  10  -2.449   1.756   2.394
   78   HG12  ILE  10          1HG1      ILE  10  -1.155   4.536   2.229
   79   HG13  ILE  10          2HG1      ILE  10  -2.261   3.925   1.023
   80   HG21  ILE  10          1HG2      ILE  10  -1.828   2.613   4.580
   81   HG22  ILE  10          2HG2      ILE  10  -0.876   1.205   4.114
   82   HG23  ILE  10          3HG2      ILE  10  -0.133   2.837   4.023
   83   HD11  ILE  10          3HD1      ILE  10  -3.615   5.269   2.399
   84   HD12  ILE  10          1HD1      ILE  10  -3.023   4.499   3.910
   85   HD13  ILE  10          2HD1      ILE  10  -4.055   3.587   2.780
   86    H    GLY  11           H        GLY  11  -1.416  -0.478   1.509
   87    HA2  GLY  11           1HA      GLY  11   0.620  -1.856   2.968
   88    HA3  GLY  11           2HA      GLY  11  -0.535  -2.666   1.864
   89    H    LYS  12           H        LYS  12   0.579  -1.198  -0.418
   90    HA   LYS  12           HA       LYS  12   3.418  -2.100  -0.681
   91    HB2  LYS  12           1HB      LYS  12   3.103  -3.338  -2.783
   92    HB3  LYS  12           2HB      LYS  12   2.158  -4.073  -1.509
   93    HG2  LYS  12           2HG      LYS  12   0.065  -2.978  -2.396
   94    HG3  LYS  12           1HG      LYS  12   0.976  -2.206  -3.680
   95    HD2  LYS  12           2HD      LYS  12   0.694  -5.252  -3.272
   96    HD3  LYS  12           1HD      LYS  12  -0.305  -4.305  -4.349
   97    HE2  LYS  12           2HE      LYS  12   2.753  -4.676  -4.676
   98    HE3  LYS  12           1HE      LYS  12   1.515  -5.594  -5.523
   99    HZ1  LYS  12           2HZ      LYS  12   2.365  -3.790  -6.853
  100    HZ3  LYS  12           1HZ      LYS  12   1.925  -2.668  -5.749
  101    H    ASP  13           H        ASP  13   2.529   0.434  -0.319
  102    HA   ASP  13           HA       ASP  13   3.915   1.757  -2.632
  103    HB2  ASP  13           2HB      ASP  13   1.317   2.259  -2.295
  104    HB3  ASP  13           1HB      ASP  13   1.844   3.127  -0.907
  105    HD2  ASP  13           HD2      ASP  13   3.081   4.864  -1.130
  106    H    VAL  14           H        VAL  14   3.084   2.071   0.802
  107    HA   VAL  14           HA       VAL  14   5.964   2.913   1.116
  108    HB   VAL  14           HB       VAL  14   5.621   4.235   3.017
  109   HG11  VAL  14          3HG2      VAL  14   4.656   6.227   1.892
  110   HG12  VAL  14          1HG2      VAL  14   5.618   5.237   0.747
  111   HG13  VAL  14          2HG2      VAL  14   3.843   5.168   0.694
  112   HG21  VAL  14          1HG1      VAL  14   3.514   3.224   3.981
  113   HG22  VAL  14          2HG1      VAL  14   3.314   4.985   3.795
  114   HG23  VAL  14          3HG1      VAL  14   2.565   3.859   2.620
  115    H    TYR  15           H        TYR  15   5.125   0.813   0.776
  116    HA   TYR  15           HA       TYR  15   6.565  -0.846   2.841
  117    HB2  TYR  15           1HB      TYR  15   4.148  -1.501   3.032
  118    HB3  TYR  15           2HB      TYR  15   4.110  -1.795   1.311
  119    HD1  TYR  15           HD1      TYR  15   5.767  -2.924   4.495
  120    HD2  TYR  15           HD2      TYR  15   4.952  -3.944   0.398
  121    HE1  TYR  15           HE1      TYR  15   6.645  -5.179   4.883
  122    HE2  TYR  15           HE2      TYR  15   5.832  -6.195   0.788
  123    HH   TYR  15           HH       TYR  15   6.737  -7.606   2.257
  124    H    ASP  16           H        ASP  16   5.637  -0.300  -0.554
  125    HA   ASP  16           HA       ASP  16   7.927  -2.003  -1.437
  126    HB2  ASP  16           1HB      ASP  16   5.703  -2.042  -2.771
  127    HB3  ASP  16           2HB      ASP  16   6.099  -0.398  -3.226
  128    HD2  ASP  16           HD2      ASP  16   7.073  -3.635  -3.347
  129    H    LYS  17           H        LYS  17   7.160   1.458  -1.047
  130    HA   LYS  17           HA       LYS  17   9.684   2.300  -2.284
  131    HB2  LYS  17           1HB      LYS  17   7.678   3.764  -2.123
  132    HB3  LYS  17           2HB      LYS  17   7.790   3.822  -0.379
  133    HG2  LYS  17           1HG      LYS  17  10.145   4.782  -2.123
  134    HG3  LYS  17           2HG      LYS  17   8.699   5.766  -1.990
  135    HD2  LYS  17           2HD      LYS  17   8.909   5.875   0.499
  136    HD3  LYS  17           1HD      LYS  17  10.360   4.876   0.449
  137    HE2  LYS  17           1HE      LYS  17  11.532   6.633  -0.967
  138    HE3  LYS  17           2HE      LYS  17  10.078   7.642  -0.912
  139    HZ1  LYS  17           2HZ      LYS  17  10.287   7.752   1.484
  140    HZ3  LYS  17           1HZ      LYS  17  11.640   8.308   0.755
  141    H    VAL  18           H        VAL  18   8.891   0.861   0.846
  142    HA   VAL  18           HA       VAL  18  11.291   1.941   2.168
  143    HB   VAL  18           HB       VAL  18  10.673   1.133   4.149
  144   HG11  VAL  18          1HG1      VAL  18   9.238   3.099   3.583
  145   HG12  VAL  18          2HG1      VAL  18   8.397   2.035   4.739
  146   HG13  VAL  18          3HG1      VAL  18   7.965   2.000   3.017
  147   HG21  VAL  18          3HG2      VAL  18   8.623  -0.767   3.069
  148   HG22  VAL  18          1HG2      VAL  18  10.073  -1.123   4.011
  149   HG23  VAL  18          2HG2      VAL  18   8.697  -0.331   4.797
  150    H    LYS  19           H        LYS  19   9.936  -1.164   1.385
  151    HA   LYS  19           HA       LYS  19  12.289  -2.762   1.787
  152    HB2  LYS  19           2HB      LYS  19   9.972  -3.614   1.457
  153    HB3  LYS  19           1HB      LYS  19  10.020  -3.250  -0.252
  154    HG2  LYS  19           1HG      LYS  19  12.128  -5.139   0.964
  155    HG3  LYS  19           2HG      LYS  19  10.473  -5.697   0.803
  156    HD2  LYS  19           2HD      LYS  19  10.478  -5.268  -1.654
  157    HD3  LYS  19           1HD      LYS  19  12.129  -4.655  -1.578
  158    HE2  LYS  19           1HE      LYS  19  12.936  -6.912  -0.727
  159    HE3  LYS  19           2HE      LYS  19  11.280  -7.532  -0.809
  160    HZ1  LYS  19           2HZ      LYS  19  12.568  -8.092  -2.761
  161    HZ3  LYS  19           1HZ      LYS  19  12.872  -6.522  -3.101
  162    H    GLU  20           H        GLU  20  11.911  -0.388  -0.629
  163    HA   GLU  20           HA       GLU  20  13.805  -1.557  -2.592
  164    HB2  GLU  20           2HB      GLU  20  11.679  -0.697  -3.476
  165    HB3  GLU  20           1HB      GLU  20  12.068   0.878  -2.816
  166    HG2  GLU  20           1HG      GLU  20  14.052   1.069  -4.367
  167    HG3  GLU  20           2HG      GLU  20  13.725  -0.549  -4.990
  168    HE2  GLU  20           HE2      GLU  20  12.648   2.639  -4.734
  169    HN1  NH2  21           2HN      NH2  21  14.338   1.030  -0.041
  170    HN2  NH2  21           1HN      NH2  21  13.519   1.764  -1.426
  Start of MODEL   19
    1    H1   ACE   1           3HA      ACE   1 -13.372  -4.423  -0.190
    2    H2   ACE   1           1HA      ACE   1 -14.618  -4.565  -1.465
    3    H3   ACE   1           2HA      ACE   1 -12.913  -4.924  -1.835
    4    H    GLU   1           H        GLU   1 -14.884  -2.316  -0.513
    5    HA   GLU   1           HA       GLU   1 -14.280  -0.372  -2.438
    6    HB2  GLU   1           1HB      GLU   1 -15.449   0.091   0.344
    7    HB3  GLU   1           2HB      GLU   1 -15.614   1.135  -1.048
    8    HG2  GLU   1           2HG      GLU   1 -16.874  -1.575  -0.717
    9    HG3  GLU   1           1HG      GLU   1 -17.627   0.028  -0.671
   10    HE2  GLU   1           HE2      GLU   1 -16.917  -1.846  -4.171
   11    H    SER   2           H        SER   2 -14.146   1.803  -0.552
   12    HA   SER   2           HA       SER   2 -11.575   2.921  -1.006
   13    HB2  SER   2           1HB      SER   2 -13.684   4.116  -0.237
   14    HB3  SER   2           2HB      SER   2 -13.236   3.659   1.380
   15    HG   SER   2           HG       SER   2 -11.230   4.723   1.061
   16    H    ALA   3           H        ALA   3 -12.604   1.409   1.932
   17    HA   ALA   3           HA       ALA   3  -9.864   1.492   3.092
   18    HB1  ALA   3           3HB      ALA   3 -10.871   0.390   5.138
   19    HB2  ALA   3           1HB      ALA   3 -11.932   1.710   4.573
   20    HB3  ALA   3           2HB      ALA   3 -12.346   0.005   4.203
   21    H    LYS   4           H        LYS   4 -10.578  -0.164   0.919
   22    HA   LYS   4           HA       LYS   4  -8.469  -2.163   1.277
   23    HB2  LYS   4           2HB      LYS   4 -10.884  -3.247   1.736
   24    HB3  LYS   4           1HB      LYS   4 -11.143  -3.057   0.015
   25    HG2  LYS   4           2HG      LYS   4 -10.562  -5.357   0.456
   26    HG3  LYS   4           1HG      LYS   4  -9.224  -4.665  -0.441
   27    HD2  LYS   4           1HD      LYS   4  -7.921  -4.387   1.724
   28    HD3  LYS   4           2HD      LYS   4  -9.289  -5.046   2.628
   29    HE2  LYS   4           1HE      LYS   4  -9.072  -7.239   1.352
   30    HE3  LYS   4           2HE      LYS   4  -7.704  -6.575   0.446
   31    HZ1  LYS   4           2HZ      LYS   4  -6.535  -6.279   2.560
   32    HZ3  LYS   4           1HZ      LYS   4  -7.799  -6.893   3.396
   33    H    HIS   5           H        HIS   5  -9.278   0.186  -0.271
   34    HA   HIS   5           HA       HIS   5  -7.631  -0.400  -2.725
   35    HB2  HIS   5           2HB      HIS   5  -9.822   1.769  -2.388
   36    HB3  HIS   5           1HB      HIS   5  -8.708   1.745  -3.740
   37    HD2  HIS   5           HD2      HIS   5  -8.892  -1.569  -4.304
   38    HE1  HIS   5           HE1      HIS   5 -12.773  -0.572  -5.420
   39    HE2  HIS   5           HE2      HIS   5 -10.995  -2.412  -5.680
   40    H    MET   6           H        MET   6  -8.156   1.940  -0.052
   41    HA   MET   6           HA       MET   6  -5.660   3.395  -0.728
   42    HB2  MET   6           2HB      MET   6  -7.280   3.742   1.884
   43    HB3  MET   6           1HB      MET   6  -6.093   4.833   1.197
   44    HG2  MET   6           1HG      MET   6  -8.042   4.738  -0.849
   45    HG3  MET   6           2HG      MET   6  -9.018   4.531   0.591
   46    HE1  MET   6           3HE      MET   6  -7.113   7.061  -1.628
   47    HE2  MET   6           1HE      MET   6  -6.585   8.345  -0.501
   48    HE3  MET   6           2HE      MET   6  -5.779   6.749  -0.473
   49    H    PHE   7           H        PHE   7  -6.931   1.064   1.681
   50    HA   PHE   7           HA       PHE   7  -4.367   0.688   3.047
   51    HB2  PHE   7           1HB      PHE   7  -7.059  -0.681   2.957
   52    HB3  PHE   7           2HB      PHE   7  -5.795  -1.650   3.603
   53    HD1  PHE   7           HD1      PHE   7  -7.957   1.289   4.166
   54    HD2  PHE   7           HD2      PHE   7  -4.623  -0.918   5.754
   55    HE1  PHE   7           HE1      PHE   7  -8.229   2.426   6.301
   56    HE2  PHE   7           HE2      PHE   7  -4.890   0.226   7.893
   57    HZ   PHE   7           HZ       PHE   7  -6.700   1.910   8.203
   58    H    ASP   8           H        ASP   8  -5.997  -0.945   0.380
   59    HA   ASP   8           HA       ASP   8  -4.108  -3.063  -0.144
   60    HB2  ASP   8           1HB      ASP   8  -6.332  -2.690  -1.267
   61    HB3  ASP   8           2HB      ASP   8  -5.613  -1.527  -2.341
   62    HD2  ASP   8           HD2      ASP   8  -5.729  -4.737  -1.325
   63    H    ARG   9           H        ARG   9  -4.226   0.229  -1.538
   64    HA   ARG   9           HA       ARG   9  -1.648   0.160  -2.916
   65    HB2  ARG   9           1HB      ARG   9  -3.325   2.577  -1.995
   66    HB3  ARG   9           2HB      ARG   9  -1.806   2.768  -2.858
   67    HG2  ARG   9           2HG      ARG   9  -2.654   1.598  -4.852
   68    HG3  ARG   9           1HG      ARG   9  -4.153   1.159  -4.036
   69    HD2  ARG   9           2HD      ARG   9  -4.762   3.612  -3.802
   70    HD3  ARG   9           1HD      ARG   9  -3.262   4.060  -4.636
   71   HH11  ARG   9          2HH2      ARG   9  -5.063   5.521  -5.158
   72   HH12  ARG   9          1HH2      ARG   9  -6.034   5.965  -6.651
   73   HH21  ARG   9          1HH1      ARG   9  -5.815   2.806  -8.007
   74   HH22  ARG   9          2HH1      ARG   9  -6.430   4.529  -8.154
   75    H    ILE  10           H        ILE  10  -2.498   1.812   0.188
   76    HA   ILE  10           HA       ILE  10   0.089   2.585   1.013
   77    HB   ILE  10           HB       ILE  10  -2.435   1.712   2.388
   78   HG12  ILE  10          1HG1      ILE  10  -1.127   4.486   2.234
   79   HG13  ILE  10          2HG1      ILE  10  -2.232   3.884   1.023
   80   HG21  ILE  10          1HG2      ILE  10  -0.116   2.775   4.024
   81   HG22  ILE  10          2HG2      ILE  10  -1.814   2.561   4.577
   82   HG23  ILE  10          3HG2      ILE  10  -0.869   1.149   4.109
   83   HD11  ILE  10          3HD1      ILE  10  -4.034   3.549   2.769
   84   HD12  ILE  10          1HD1      ILE  10  -3.001   4.449   3.909
   85   HD13  ILE  10          2HD1      ILE  10  -3.583   5.231   2.400
   86    H    GLY  11           H        GLY  11  -1.408  -0.524   1.495
   87    HA2  GLY  11           1HA      GLY  11   0.609  -1.918   2.963
   88    HA3  GLY  11           2HA      GLY  11  -0.537  -2.721   1.842
   89    H    LYS  12           H        LYS  12   0.580  -1.259  -0.437
   90    HA   LYS  12           HA       LYS  12   3.428  -2.136  -0.676
   91    HB2  LYS  12           2HB      LYS  12   1.824  -4.069  -1.473
   92    HB3  LYS  12           1HB      LYS  12   1.380  -3.035  -2.825
   93    HG2  LYS  12           1HG      LYS  12   3.802  -3.030  -3.585
   94    HG3  LYS  12           2HG      LYS  12   4.252  -3.990  -2.173
   95    HD2  LYS  12           2HD      LYS  12   2.761  -5.868  -2.983
   96    HD3  LYS  12           1HD      LYS  12   2.298  -4.896  -4.386
   97    HE2  LYS  12           2HE      LYS  12   4.728  -4.835  -5.147
   98    HE3  LYS  12           1HE      LYS  12   5.191  -5.808  -3.743
   99    HZ1  LYS  12           2HZ      LYS  12   4.893  -7.178  -5.667
  100    HZ3  LYS  12           1HZ      LYS  12   3.773  -7.580  -4.546
  101    H    ASP  13           H        ASP  13   2.549   0.367  -0.323
  102    HA   ASP  13           HA       ASP  13   3.907   1.702  -2.636
  103    HB2  ASP  13           2HB      ASP  13   1.309   2.171  -2.307
  104    HB3  ASP  13           1HB      ASP  13   1.815   3.043  -0.913
  105    HD2  ASP  13           HD2      ASP  13   3.026   4.801  -1.127
  106    H    VAL  14           H        VAL  14   3.067   2.014   0.798
  107    HA   VAL  14           HA       VAL  14   5.938   2.890   1.116
  108    HB   VAL  14           HB       VAL  14   5.574   4.210   3.014
  109   HG11  VAL  14          3HG2      VAL  14   5.568   5.208   0.741
  110   HG12  VAL  14          1HG2      VAL  14   3.795   5.119   0.682
  111   HG13  VAL  14          2HG2      VAL  14   4.591   6.189   1.881
  112   HG21  VAL  14          1HG1      VAL  14   3.256   4.936   3.783
  113   HG22  VAL  14          2HG1      VAL  14   2.523   3.800   2.607
  114   HG23  VAL  14          3HG1      VAL  14   3.474   3.177   3.972
  115    H    TYR  15           H        TYR  15   5.128   0.782   0.776
  116    HA   TYR  15           HA       TYR  15   6.584  -0.867   2.842
  117    HB2  TYR  15           2HB      TYR  15   4.177  -1.547   3.033
  118    HB3  TYR  15           1HB      TYR  15   4.133  -1.822   1.308
  119    HD1  TYR  15           HD2      TYR  15   5.819  -2.976   4.470
  120    HD2  TYR  15           HD1      TYR  15   4.969  -3.957   0.371
  121    HE1  TYR  15           HE2      TYR  15   6.721  -5.226   4.823
  122    HE2  TYR  15           HE1      TYR  15   5.874  -6.203   0.725
  123    HH   TYR  15           HH       TYR  15   6.808  -7.622   2.169
  124    H    ASP  16           H        ASP  16   5.651  -0.326  -0.549
  125    HA   ASP  16           HA       ASP  16   7.967  -1.997  -1.438
  126    HB2  ASP  16           1HB      ASP  16   5.737  -2.043  -2.765
  127    HB3  ASP  16           2HB      ASP  16   6.141  -0.411  -3.247
  128    HD2  ASP  16           HD2      ASP  16   7.739  -0.093  -4.601
  129    H    LYS  17           H        LYS  17   7.153   1.453  -1.047
  130    HA   LYS  17           HA       LYS  17   9.669   2.327  -2.279
  131    HB2  LYS  17           2HB      LYS  17   7.602   3.776  -2.068
  132    HB3  LYS  17           1HB      LYS  17   7.827   3.838  -0.322
  133    HG2  LYS  17           1HG      LYS  17  10.047   5.021  -0.679
  134    HG3  LYS  17           2HG      LYS  17   9.829   4.897  -2.426
  135    HD2  LYS  17           2HD      LYS  17   7.696   6.296  -2.236
  136    HD3  LYS  17           1HD      LYS  17   7.932   6.383  -0.498
  137    HE2  LYS  17           1HE      LYS  17   8.715   8.472  -1.378
  138    HE3  LYS  17           2HE      LYS  17  10.153   7.596  -0.860
  139    HZ1  LYS  17           2HZ      LYS  17  10.479   8.604  -2.996
  140    HZ3  LYS  17           1HZ      LYS  17  10.544   6.980  -3.170
  141    H    VAL  18           H        VAL  18   8.889   0.871   0.847
  142    HA   VAL  18           HA       VAL  18  11.265   1.991   2.182
  143    HB   VAL  18           HB       VAL  18  10.654   1.170   4.156
  144   HG11  VAL  18          3HG2      VAL  18   7.942   2.001   3.009
  145   HG12  VAL  18          1HG2      VAL  18   9.200   3.116   3.581
  146   HG13  VAL  18          2HG2      VAL  18   8.363   2.044   4.733
  147   HG21  VAL  18          1HG1      VAL  18   8.639  -0.765   3.079
  148   HG22  VAL  18          2HG1      VAL  18   8.697  -0.317   4.804
  149   HG23  VAL  18          3HG1      VAL  18  10.089  -1.091   4.029
  150    H    LYS  19           H        LYS  19   9.961  -1.138   1.391
  151    HA   LYS  19           HA       LYS  19  12.347  -2.685   1.807
  152    HB2  LYS  19           1HB      LYS  19  10.006  -3.594   1.447
  153    HB3  LYS  19           2HB      LYS  19  10.134  -3.232  -0.263
  154    HG2  LYS  19           2HG      LYS  19  10.451  -5.589   0.067
  155    HG3  LYS  19           1HG      LYS  19  11.974  -4.931  -0.501
  156    HD2  LYS  19           1HD      LYS  19  12.871  -4.962   1.875
  157    HD3  LYS  19           2HD      LYS  19  11.319  -5.579   2.452
  158    HE2  LYS  19           1HE      LYS  19  11.618  -7.661   1.016
  159    HE3  LYS  19           2HE      LYS  19  13.171  -7.038   0.438
  160    HZ1  LYS  19           2HZ      LYS  19  13.987  -7.070   2.703
  161    HZ3  LYS  19           1HZ      LYS  19  13.481  -8.556   2.245
  162    H    GLU  20           H        GLU  20  11.943  -0.326  -0.603
  163    HA   GLU  20           HA       GLU  20  13.840  -1.482  -2.575
  164    HB2  GLU  20           2HB      GLU  20  11.698  -0.655  -3.448
  165    HB3  GLU  20           1HB      GLU  20  12.068   0.928  -2.800
  166    HG2  GLU  20           2HG      GLU  20  14.040   1.140  -4.362
  167    HG3  GLU  20           1HG      GLU  20  13.732  -0.485  -4.976
  168    HE2  GLU  20           HE2      GLU  20  11.488   2.687  -6.109
  169    HN1  NH2  21           2HN      NH2  21  14.355   1.128  -0.041
  170    HN2  NH2  21           1HN      NH2  21  13.516   1.842  -1.426
  Start of MODEL   20
    1    H1   ACE   1           3HA      ACE   1 -11.834  -2.197  -2.691
    2    H2   ACE   1           1HA      ACE   1 -12.572  -3.651  -3.396
    3    H3   ACE   1           2HA      ACE   1 -13.497  -2.135  -3.352
    4    H    GLU   1           H        GLU   1 -14.462  -2.766   0.129
    5    HA   GLU   1           HA       GLU   1 -14.656  -0.812  -1.884
    6    HB2  GLU   1           1HB      GLU   1 -15.176  -0.639   1.133
    7    HB3  GLU   1           2HB      GLU   1 -15.686   0.545  -0.029
    8    HG2  GLU   1           2HG      GLU   1 -17.611  -0.608   0.259
    9    HG3  GLU   1           1HG      GLU   1 -17.030  -1.138  -1.307
   10    HE2  GLU   1           HE2      GLU   1 -17.154  -1.891   2.022
   11    H    SER   2           H        SER   2 -14.345   1.585  -0.398
   12    HA   SER   2           HA       SER   2 -11.916   2.735  -1.255
   13    HB2  SER   2           2HB      SER   2 -14.014   3.918  -0.425
   14    HB3  SER   2           1HB      SER   2 -13.376   3.702   1.182
   15    HG   SER   2           HG       SER   2 -11.479   4.794   0.514
   16    H    ALA   3           H        ALA   3 -12.596   1.612   1.977
   17    HA   ALA   3           HA       ALA   3  -9.742   1.888   2.846
   18    HB1  ALA   3           3HB      ALA   3 -10.550   1.019   5.077
   19    HB2  ALA   3           1HB      ALA   3 -12.102   0.532   4.336
   20    HB3  ALA   3           2HB      ALA   3 -11.671   2.268   4.463
   21    H    LYS   4           H        LYS   4 -10.579   0.037   0.916
   22    HA   LYS   4           HA       LYS   4  -8.485  -1.972   1.314
   23    HB2  LYS   4           2HB      LYS   4 -11.172  -2.844   1.580
   24    HB3  LYS   4           1HB      LYS   4 -10.891  -3.175  -0.107
   25    HG2  LYS   4           2HG      LYS   4  -9.217  -4.248   2.259
   26    HG3  LYS   4           1HG      LYS   4 -10.499  -5.120   1.433
   27    HD2  LYS   4           2HD      LYS   4  -9.132  -5.047  -0.736
   28    HD3  LYS   4           1HD      LYS   4  -7.850  -4.227   0.142
   29    HE2  LYS   4           2HE      LYS   4  -7.187  -6.520   0.014
   30    HE3  LYS   4           1HE      LYS   4  -7.620  -6.235   1.698
   31    HZ1  LYS   4           2HZ      LYS   4  -9.759  -7.290   1.269
   32    HZ3  LYS   4           1HZ      LYS   4  -8.522  -8.297   0.910
   33    H    HIS   5           H        HIS   5  -9.344   0.310  -0.360
   34    HA   HIS   5           HA       HIS   5  -7.613  -0.299  -2.727
   35    HB2  HIS   5           2HB      HIS   5  -9.761   1.926  -2.370
   36    HB3  HIS   5           1HB      HIS   5  -8.648   1.896  -3.721
   37    HD2  HIS   5           HD2      HIS   5  -8.774  -1.172  -4.661
   38    HE1  HIS   5           HE1      HIS   5 -12.771  -0.298  -5.414
   39    HE2  HIS   5           HE2      HIS   5 -10.898  -1.942  -6.051
   40    H    MET   6           H        MET   6  -8.081   1.966  -0.000
   41    HA   MET   6           HA       MET   6  -5.616   3.478  -0.687
   42    HB2  MET   6           2HB      MET   6  -6.073   4.826   1.365
   43    HB3  MET   6           1HB      MET   6  -7.441   4.909   0.255
   44    HG2  MET   6           2HG      MET   6  -8.855   3.672   1.682
   45    HG3  MET   6           1HG      MET   6  -7.541   2.983   2.621
   46    HE1  MET   6           3HE      MET   6  -6.591   5.809   5.120
   47    HE2  MET   6           1HE      MET   6  -5.631   5.372   3.678
   48    HE3  MET   6           2HE      MET   6  -6.430   4.094   4.643
   49    H    PHE   7           H        PHE   7  -6.887   1.197   1.746
   50    HA   PHE   7           HA       PHE   7  -4.312   0.753   3.047
   51    HB2  PHE   7           1HB      PHE   7  -7.048  -0.516   3.006
   52    HB3  PHE   7           2HB      PHE   7  -5.805  -1.553   3.623
   53    HD1  PHE   7           HD2      PHE   7  -4.466  -0.787   5.696
   54    HD2  PHE   7           HD1      PHE   7  -7.918   1.372   4.301
   55    HE1  PHE   7           HE2      PHE   7  -4.624   0.357   7.843
   56    HE2  PHE   7           HE1      PHE   7  -8.079   2.510   6.440
   57    HZ   PHE   7           HZ       PHE   7  -6.436   2.018   8.256
   58    H    ASP   8           H        ASP   8  -5.999  -0.905   0.421
   59    HA   ASP   8           HA       ASP   8  -4.132  -3.028  -0.102
   60    HB2  ASP   8           1HB      ASP   8  -6.384  -2.614  -1.184
   61    HB3  ASP   8           2HB      ASP   8  -5.646  -1.512  -2.306
   62    HD2  ASP   8           HD2      ASP   8  -5.911  -4.673  -1.203
   63    H    ARG   9           H        ARG   9  -4.229   0.272  -1.504
   64    HA   ARG   9           HA       ARG   9  -1.670   0.122  -2.919
   65    HB2  ARG   9           2HB      ARG   9  -3.205   2.643  -2.031
   66    HB3  ARG   9           1HB      ARG   9  -1.761   2.703  -3.019
   67    HG2  ARG   9           1HG      ARG   9  -4.387   1.332  -3.873
   68    HG3  ARG   9           2HG      ARG   9  -3.904   2.968  -4.292
   69    HD2  ARG   9           2HD      ARG   9  -1.837   2.042  -5.501
   70    HD3  ARG   9           1HD      ARG   9  -2.379   0.416  -5.124
   71   HH11  ARG   9          1HH2      ARG   9  -2.509   3.694  -6.532
   72   HH12  ARG   9          2HH2      ARG   9  -3.324   4.236  -8.084
   73   HH21  ARG   9          2HH1      ARG   9  -5.036   1.276  -8.484
   74   HH22  ARG   9          1HH1      ARG   9  -4.657   2.958  -9.112
   75    H    ILE  10           H        ILE  10  -2.459   1.842   0.169
   76    HA   ILE  10           HA       ILE  10   0.147   2.580   0.961
   77    HB   ILE  10           HB       ILE  10  -2.375   1.752   2.367
   78   HG12  ILE  10          2HG1      ILE  10  -1.023   4.503   2.188
   79   HG13  ILE  10          1HG1      ILE  10  -2.149   3.912   0.989
   80   HG21  ILE  10          1HG2      ILE  10  -0.024   2.785   3.977
   81   HG22  ILE  10          2HG2      ILE  10  -0.803   1.172   4.077
   82   HG23  ILE  10          3HG2      ILE  10  -1.719   2.602   4.546
   83   HD11  ILE  10          3HD1      ILE  10  -2.876   4.509   3.882
   84   HD12  ILE  10          1HD1      ILE  10  -3.935   3.609   2.768
   85   HD13  ILE  10          2HD1      ILE  10  -3.471   5.282   2.373
   86    H    GLY  11           H        GLY  11  -1.379  -0.506   1.475
   87    HA2  GLY  11           2HA      GLY  11   0.622  -1.912   2.951
   88    HA3  GLY  11           1HA      GLY  11  -0.526  -2.713   1.834
   89    H    LYS  12           H        LYS  12   0.574  -1.303  -0.472
   90    HA   LYS  12           HA       LYS  12   3.421  -2.202  -0.733
   91    HB2  LYS  12           1HB      LYS  12   1.241  -3.151  -2.737
   92    HB3  LYS  12           2HB      LYS  12   2.970  -3.298  -3.013
   93    HG2  LYS  12           2HG      LYS  12   3.179  -4.776  -0.960
   94    HG3  LYS  12           1HG      LYS  12   1.425  -4.735  -0.780
   95    HD2  LYS  12           1HD      LYS  12   1.152  -5.737  -3.073
   96    HD3  LYS  12           2HD      LYS  12   2.894  -5.785  -3.292
   97    HE2  LYS  12           2HE      LYS  12   1.360  -7.309  -1.070
   98    HE3  LYS  12           1HE      LYS  12   1.827  -8.000  -2.621
   99    HZ1  LYS  12           2HZ      LYS  12   3.707  -6.977  -0.571
  100    HZ3  LYS  12           1HZ      LYS  12   3.389  -8.549  -0.887
  101    H    ASP  13           H        ASP  13   2.562   0.309  -0.373
  102    HA   ASP  13           HA       ASP  13   3.891   1.616  -2.725
  103    HB2  ASP  13           2HB      ASP  13   1.307   2.109  -2.365
  104    HB3  ASP  13           1HB      ASP  13   1.836   2.982  -0.979
  105    HD2  ASP  13           HD2      ASP  13   2.373   4.452  -4.705
  106    H    VAL  14           H        VAL  14   3.109   1.959   0.717
  107    HA   VAL  14           HA       VAL  14   5.986   2.827   0.981
  108    HB   VAL  14           HB       VAL  14   5.670   4.152   2.874
  109   HG11  VAL  14          3HG2      VAL  14   5.607   5.137   0.591
  110   HG12  VAL  14          1HG2      VAL  14   3.834   5.061   0.585
  111   HG13  VAL  14          2HG2      VAL  14   4.675   6.130   1.755
  112   HG21  VAL  14          1HG1      VAL  14   3.586   3.139   3.890
  113   HG22  VAL  14          2HG1      VAL  14   2.609   3.745   2.536
  114   HG23  VAL  14          3HG1      VAL  14   3.365   4.895   3.683
  115    H    TYR  15           H        TYR  15   5.187   0.723   0.664
  116    HA   TYR  15           HA       TYR  15   6.691  -0.941   2.697
  117    HB2  TYR  15           1HB      TYR  15   4.289  -1.607   2.932
  118    HB3  TYR  15           2HB      TYR  15   4.191  -1.846   1.205
  119    HD1  TYR  15           HD2      TYR  15   5.876  -3.108   4.314
  120    HD2  TYR  15           HD1      TYR  15   5.060  -3.942   0.178
  121    HE1  TYR  15           HE2      TYR  15   6.747  -5.377   4.603
  122    HE2  TYR  15           HE1      TYR  15   5.923  -6.211   0.466
  123    HH   TYR  15           HH       TYR  15   7.169  -7.342   3.621
  124    H    ASP  16           H        ASP  16   5.624  -0.370  -0.688
  125    HA   ASP  16           HA       ASP  16   7.811  -2.070  -1.770
  126    HB2  ASP  16           1HB      ASP  16   5.610  -1.907  -3.031
  127    HB3  ASP  16           2HB      ASP  16   5.996  -0.222  -3.310
  128    HD2  ASP  16           HD2      ASP  16   7.823  -3.202  -5.367
  129    H    LYS  17           H        LYS  17   7.183   1.419  -1.237
  130    HA   LYS  17           HA       LYS  17   9.786   2.252  -2.364
  131    HB2  LYS  17           2HB      LYS  17   7.772   3.711  -2.351
  132    HB3  LYS  17           1HB      LYS  17   7.731   3.742  -0.607
  133    HG2  LYS  17           2HG      LYS  17  10.158   4.789  -2.198
  134    HG3  LYS  17           1HG      LYS  17   8.708   5.750  -2.045
  135    HD2  LYS  17           1HD      LYS  17  10.443   4.836   0.331
  136    HD3  LYS  17           2HD      LYS  17  10.473   6.407  -0.442
  137    HE2  LYS  17           2HE      LYS  17   8.040   6.791   0.240
  138    HE3  LYS  17           1HE      LYS  17   8.046   5.231   1.075
  139    HZ1  LYS  17           2HZ      LYS  17   8.511   7.055   2.559
  140    HZ3  LYS  17           1HZ      LYS  17   9.817   7.523   1.693
  141    H    VAL  18           H        VAL  18   8.799   0.721   0.460
  142    HA   VAL  18           HA       VAL  18  10.847   1.801   2.328
  143    HB   VAL  18           HB       VAL  18   8.466   0.074   2.951
  144   HG11  VAL  18          3HG2      VAL  18  10.652   0.528   4.960
  145   HG12  VAL  18          1HG2      VAL  18   9.013  -0.149   5.263
  146   HG13  VAL  18          2HG2      VAL  18  10.138  -1.023   4.217
  147   HG21  VAL  18          1HG1      VAL  18   8.037   2.525   2.908
  148   HG22  VAL  18          2HG1      VAL  18   9.308   2.767   4.138
  149   HG23  VAL  18          3HG1      VAL  18   7.829   1.849   4.531
  150    H    LYS  19           H        LYS  19   9.849  -1.322   1.002
  151    HA   LYS  19           HA       LYS  19  12.235  -2.764   1.764
  152    HB2  LYS  19           1HB      LYS  19  10.041  -3.745   1.078
  153    HB3  LYS  19           2HB      LYS  19  10.294  -3.270  -0.585
  154    HG2  LYS  19           1HG      LYS  19  12.361  -5.087   0.797
  155    HG3  LYS  19           2HG      LYS  19  10.784  -5.748   0.407
  156    HD2  LYS  19           2HD      LYS  19  11.050  -5.182  -2.008
  157    HD3  LYS  19           1HD      LYS  19  12.628  -4.461  -1.701
  158    HE2  LYS  19           2HE      LYS  19  13.498  -6.700  -0.865
  159    HE3  LYS  19           1HE      LYS  19  11.915  -7.428  -1.179
  160    HZ1  LYS  19           2HZ      LYS  19  13.405  -7.814  -2.994
  161    HZ3  LYS  19           1HZ      LYS  19  12.165  -6.882  -3.510
  162    H    GLU  20           H        GLU  20  12.000  -0.244  -0.535
  163    HA   GLU  20           HA       GLU  20  14.136  -1.178  -2.362
  164    HB2  GLU  20           1HB      GLU  20  11.986  -0.284  -3.309
  165    HB3  GLU  20           2HB      GLU  20  12.407   1.263  -2.610
  166    HG2  GLU  20           1HG      GLU  20  14.098  -0.272  -4.670
  167    HG3  GLU  20           2HG      GLU  20  12.840   0.884  -5.096
  168    HE2  GLU  20           HE2      GLU  20  16.510   2.136  -4.235
  169    HN1  NH2  21           2HN      NH2  21  13.593   2.019  -0.962
  170    HN2  NH2  21           1HN      NH2  21  14.287   1.191   0.439
  Start of MODEL   21
    1    H1   ACE   1           3HA      ACE   1 -14.275  -4.734  -1.783
    2    H2   ACE   1           1HA      ACE   1 -12.987  -4.601  -0.551
    3    H3   ACE   1           2HA      ACE   1 -12.564  -4.883  -2.256
    4    H    GLU   1           H        GLU   1 -14.584  -2.630  -0.459
    5    HA   GLU   1           HA       GLU   1 -14.457  -0.466  -2.237
    6    HB2  GLU   1           1HB      GLU   1 -15.291  -0.547   0.722
    7    HB3  GLU   1           2HB      GLU   1 -15.620   0.767  -0.360
    8    HG2  GLU   1           2HG      GLU   1 -17.615  -0.302  -0.369
    9    HG3  GLU   1           1HG      GLU   1 -16.911  -0.693  -1.925
   10    HE2  GLU   1           HE2      GLU   1 -17.100  -4.091  -1.437
   11    H    SER   2           H        SER   2 -14.199   1.765  -0.498
   12    HA   SER   2           HA       SER   2 -11.654   2.859  -1.033
   13    HB2  SER   2           2HB      SER   2 -13.778   4.046  -0.252
   14    HB3  SER   2           1HB      SER   2 -13.264   3.664   1.366
   15    HG   SER   2           HG       SER   2 -12.536   5.700   0.674
   16    H    ALA   3           H        ALA   3 -12.635   1.408   1.965
   17    HA   ALA   3           HA       ALA   3  -9.886   1.544   3.094
   18    HB1  ALA   3           3HB      ALA   3 -11.946   1.759   4.584
   19    HB2  ALA   3           1HB      ALA   3 -12.341   0.044   4.243
   20    HB3  ALA   3           2HB      ALA   3 -10.865   0.461   5.161
   21    H    LYS   4           H        LYS   4 -10.597  -0.149   0.947
   22    HA   LYS   4           HA       LYS   4  -8.462  -2.120   1.309
   23    HB2  LYS   4           2HB      LYS   4 -10.832  -3.230   1.809
   24    HB3  LYS   4           1HB      LYS   4 -11.153  -3.039   0.100
   25    HG2  LYS   4           2HG      LYS   4 -10.514  -5.360   0.623
   26    HG3  LYS   4           1HG      LYS   4  -9.350  -4.657  -0.471
   27    HD2  LYS   4           2HD      LYS   4  -8.172  -6.003   1.148
   28    HD3  LYS   4           1HD      LYS   4  -7.713  -4.327   1.403
   29    HE2  LYS   4           1HE      LYS   4  -9.304  -4.195   3.394
   30    HE3  LYS   4           2HE      LYS   4  -9.796  -5.871   3.109
   31    HZ1  LYS   4           2HZ      LYS   4  -8.097  -5.682   4.801
   32    HZ3  LYS   4           1HZ      LYS   4  -7.054  -4.952   3.775
   33    H    HIS   5           H        HIS   5  -9.297   0.204  -0.249
   34    HA   HIS   5           HA       HIS   5  -7.656  -0.369  -2.708
   35    HB2  HIS   5           2HB      HIS   5  -9.865   1.779  -2.321
   36    HB3  HIS   5           1HB      HIS   5  -8.743   1.825  -3.665
   37    HD2  HIS   5           HD2      HIS   5  -8.818  -1.410  -4.426
   38    HE1  HIS   5           HE1      HIS   5 -12.706  -0.448  -5.546
   39    HE2  HIS   5           HE2      HIS   5 -10.861  -2.201  -5.918
   40    H    MET   6           H        MET   6  -8.177   1.979  -0.043
   41    HA   MET   6           HA       MET   6  -5.679   3.430  -0.719
   42    HB2  MET   6           1HB      MET   6  -7.293   3.789   1.896
   43    HB3  MET   6           2HB      MET   6  -6.114   4.879   1.194
   44    HG2  MET   6           1HG      MET   6  -8.068   4.776  -0.840
   45    HG3  MET   6           2HG      MET   6  -9.042   4.560   0.602
   46    HE1  MET   6           3HE      MET   6  -7.161   7.107  -1.616
   47    HE2  MET   6           1HE      MET   6  -5.822   6.803  -0.467
   48    HE3  MET   6           2HE      MET   6  -6.640   8.393  -0.488
   49    H    PHE   7           H        PHE   7  -6.948   1.116   1.707
   50    HA   PHE   7           HA       PHE   7  -4.380   0.742   3.066
   51    HB2  PHE   7           2HB      PHE   7  -7.072  -0.627   2.989
   52    HB3  PHE   7           1HB      PHE   7  -5.808  -1.585   3.647
   53    HD1  PHE   7           HD1      PHE   7  -4.642  -0.824   5.795
   54    HD2  PHE   7           HD2      PHE   7  -7.978   1.355   4.173
   55    HE1  PHE   7           HE1      PHE   7  -4.916   0.346   7.918
   56    HE2  PHE   7           HE2      PHE   7  -8.257   2.517   6.293
   57    HZ   PHE   7           HZ       PHE   7  -6.730   2.028   8.205
   58    H    ASP   8           H        ASP   8  -6.019  -0.901   0.407
   59    HA   ASP   8           HA       ASP   8  -4.132  -3.025  -0.101
   60    HB2  ASP   8           1HB      ASP   8  -6.353  -2.664  -1.219
   61    HB3  ASP   8           2HB      ASP   8  -5.644  -1.507  -2.309
   62    HD2  ASP   8           HD2      ASP   8  -4.105  -3.863  -4.321
   63    H    ARG   9           H        ARG   9  -4.252   0.257  -1.524
   64    HA   ARG   9           HA       ARG   9  -1.675   0.174  -2.903
   65    HB2  ARG   9           2HB      ARG   9  -3.346   2.601  -1.999
   66    HB3  ARG   9           1HB      ARG   9  -1.829   2.781  -2.867
   67    HG2  ARG   9           2HG      ARG   9  -2.684   1.595  -4.849
   68    HG3  ARG   9           1HG      ARG   9  -4.182   1.169  -4.026
   69    HD2  ARG   9           1HD      ARG   9  -4.784   3.625  -3.813
   70    HD3  ARG   9           2HD      ARG   9  -3.284   4.061  -4.654
   71   HH11  ARG   9          2HH2      ARG   9  -5.081   5.523  -5.186
   72   HH12  ARG   9          1HH2      ARG   9  -6.054   5.957  -6.680
   73   HH21  ARG   9          1HH1      ARG   9  -5.847   2.786  -8.009
   74   HH22  ARG   9          2HH1      ARG   9  -6.457   4.509  -8.170
   75    H    ILE  10           H        ILE  10  -2.518   1.843   0.193
   76    HA   ILE  10           HA       ILE  10   0.072   2.622   1.008
   77    HB   ILE  10           HB       ILE  10  -2.449   1.757   2.393
   78   HG12  ILE  10          1HG1      ILE  10  -1.140   4.529   2.218
   79   HG13  ILE  10          2HG1      ILE  10  -2.249   3.920   1.014
   80   HG21  ILE  10          1HG2      ILE  10  -0.877   1.203   4.113
   81   HG22  ILE  10          2HG2      ILE  10  -1.820   2.618   4.575
   82   HG23  ILE  10          3HG2      ILE  10  -0.125   2.830   4.016
   83   HD11  ILE  10          3HD1      ILE  10  -3.007   4.507   3.900
   84   HD12  ILE  10          1HD1      ILE  10  -4.045   3.599   2.771
   85   HD13  ILE  10          2HD1      ILE  10  -3.593   5.278   2.387
   86    H    GLY  11           H        GLY  11  -1.428  -0.486   1.514
   87    HA2  GLY  11           1HA      GLY  11   0.602  -1.869   2.976
   88    HA3  GLY  11           2HA      GLY  11  -0.559  -2.679   1.876
   89    H    LYS  12           H        LYS  12   0.558  -1.227  -0.415
   90    HA   LYS  12           HA       LYS  12   3.394  -2.141  -0.679
   91    HB2  LYS  12           1HB      LYS  12   3.071  -3.390  -2.773
   92    HB3  LYS  12           2HB      LYS  12   2.124  -4.116  -1.494
   93    HG2  LYS  12           2HG      LYS  12   0.034  -3.016  -2.384
   94    HG3  LYS  12           1HG      LYS  12   0.947  -2.254  -3.673
   95    HD2  LYS  12           2HD      LYS  12   0.653  -5.297  -3.249
   96    HD3  LYS  12           1HD      LYS  12  -0.343  -4.351  -4.329
   97    HE2  LYS  12           1HE      LYS  12   2.712  -4.736  -4.658
   98    HE3  LYS  12           2HE      LYS  12   1.470  -5.653  -5.499
   99    HZ1  LYS  12           2HZ      LYS  12   1.826  -2.719  -5.727
  100    HZ3  LYS  12           1HZ      LYS  12   0.679  -3.589  -6.501
  101    H    ASP  13           H        ASP  13   2.519   0.392  -0.321
  102    HA   ASP  13           HA       ASP  13   3.898   1.703  -2.644
  103    HB2  ASP  13           2HB      ASP  13   1.305   2.220  -2.301
  104    HB3  ASP  13           1HB      ASP  13   1.841   3.082  -0.913
  105    HD2  ASP  13           HD2      ASP  13   2.414   4.554  -4.632
  106    H    VAL  14           H        VAL  14   3.080   2.043   0.794
  107    HA   VAL  14           HA       VAL  14   5.970   2.858   1.090
  108    HB   VAL  14           HB       VAL  14   5.645   4.193   2.986
  109   HG11  VAL  14          3HG2      VAL  14   5.663   5.178   0.709
  110   HG12  VAL  14          1HG2      VAL  14   3.888   5.129   0.647
  111   HG13  VAL  14          2HG2      VAL  14   4.707   6.188   1.841
  112   HG21  VAL  14          1HG1      VAL  14   3.347   4.977   3.754
  113   HG22  VAL  14          2HG1      VAL  14   3.523   3.214   3.951
  114   HG23  VAL  14          3HG1      VAL  14   2.586   3.852   2.584
  115    H    TYR  15           H        TYR  15   5.133   0.767   0.761
  116    HA   TYR  15           HA       TYR  15   6.566  -0.906   2.832
  117    HB2  TYR  15           1HB      TYR  15   4.119  -1.489   2.994
  118    HB3  TYR  15           2HB      TYR  15   4.102  -1.804   1.279
  119    HD1  TYR  15           HD2      TYR  15   5.675  -2.917   4.499
  120    HD2  TYR  15           HD1      TYR  15   4.901  -3.994   0.412
  121    HE1  TYR  15           HE2      TYR  15   6.353  -5.217   4.984
  122    HE2  TYR  15           HE1      TYR  15   5.575  -6.294   0.893
  123    HH   TYR  15           HH       TYR  15   6.625  -7.285   4.166
  124    H    ASP  16           H        ASP  16   5.650  -0.371  -0.560
  125    HA   ASP  16           HA       ASP  16   7.954  -2.070  -1.409
  126    HB2  ASP  16           1HB      ASP  16   5.743  -2.143  -2.754
  127    HB3  ASP  16           2HB      ASP  16   6.120  -0.501  -3.229
  128    HD2  ASP  16           HD2      ASP  16   7.634  -0.140  -4.628
  129    H    LYS  17           H        LYS  17   7.145   1.388  -1.069
  130    HA   LYS  17           HA       LYS  17   9.655   2.270  -2.299
  131    HB2  LYS  17           2HB      LYS  17   7.575   3.698  -2.080
  132    HB3  LYS  17           1HB      LYS  17   7.811   3.768  -0.336
  133    HG2  LYS  17           2HG      LYS  17  10.053   4.932  -0.754
  134    HG3  LYS  17           1HG      LYS  17   9.740   4.892  -2.483
  135    HD2  LYS  17           2HD      LYS  17   7.979   6.314  -0.373
  136    HD3  LYS  17           1HD      LYS  17   9.243   7.088  -1.320
  137    HE2  LYS  17           2HE      LYS  17   7.986   6.564  -3.468
  138    HE3  LYS  17           1HE      LYS  17   6.690   5.816  -2.523
  139    HZ1  LYS  17           2HZ      LYS  17   6.317   7.920  -1.422
  140    HZ3  LYS  17           1HZ      LYS  17   6.162   8.073  -3.043
  141    H    VAL  18           H        VAL  18   8.889   0.820   0.838
  142    HA   VAL  18           HA       VAL  18  11.233   1.994   2.182
  143    HB   VAL  18           HB       VAL  18  10.631   1.149   4.158
  144   HG11  VAL  18          1HG1      VAL  18   9.171   3.094   3.602
  145   HG12  VAL  18          2HG1      VAL  18   8.324   2.002   4.727
  146   HG13  VAL  18          3HG1      VAL  18   7.926   1.985   2.997
  147   HG21  VAL  18          3HG2      VAL  18   8.672  -0.352   4.778
  148   HG22  VAL  18          1HG2      VAL  18   8.626  -0.778   3.047
  149   HG23  VAL  18          2HG2      VAL  18  10.071  -1.115   4.002
  150    H    LYS  19           H        LYS  19   9.985  -1.166   1.390
  151    HA   LYS  19           HA       LYS  19  12.448  -2.627   1.808
  152    HB2  LYS  19           1HB      LYS  19  10.113  -3.303  -0.081
  153    HB3  LYS  19           2HB      LYS  19  11.476  -4.381   0.167
  154    HG2  LYS  19           1HG      LYS  19  11.015  -4.529   2.625
  155    HG3  LYS  19           2HG      LYS  19   9.675  -3.406   2.458
  156    HD2  LYS  19           1HD      LYS  19   8.742  -5.582   2.595
  157    HD3  LYS  19           2HD      LYS  19   8.465  -5.013   0.951
  158    HE2  LYS  19           2HE      LYS  19  10.407  -6.469   0.145
  159    HE3  LYS  19           1HE      LYS  19  10.693  -6.998   1.810
  160    HZ1  LYS  19           2HZ      LYS  19   8.483  -7.953   1.845
  161    HZ3  LYS  19           1HZ      LYS  19   9.368  -8.580   0.622
  162    H    GLU  20           H        GLU  20  11.980  -0.303  -0.592
  163    HA   GLU  20           HA       GLU  20  13.853  -1.467  -2.587
  164    HB2  GLU  20           1HB      GLU  20  11.698  -0.630  -3.433
  165    HB3  GLU  20           2HB      GLU  20  12.086   0.936  -2.774
  166    HG2  GLU  20           2HG      GLU  20  12.458   1.027  -5.149
  167    HG3  GLU  20           1HG      GLU  20  14.014   1.186  -4.349
  168    HE2  GLU  20           HE2      GLU  20  11.924  -0.852  -6.056
  169    HN1  NH2  21           2HN      NH2  21  13.569   1.855  -1.424
  170    HN2  NH2  21           1HN      NH2  21  14.416   1.125  -0.055
  Start of MODEL   22
    1    H1   ACE   1           3HA      ACE   1 -12.923  -1.371  -3.779
    2    H2   ACE   1           1HA      ACE   1 -12.220  -2.963  -4.123
    3    H3   ACE   1           2HA      ACE   1 -11.351  -1.833  -3.063
    4    H    GLU   1           H        GLU   1 -14.410  -2.696  -0.684
    5    HA   GLU   1           HA       GLU   1 -14.428  -0.444  -2.354
    6    HB2  GLU   1           2HB      GLU   1 -15.160  -0.686   0.614
    7    HB3  GLU   1           1HB      GLU   1 -15.578   0.651  -0.417
    8    HG2  GLU   1           2HG      GLU   1 -17.530  -0.493  -0.416
    9    HG3  GLU   1           1HG      GLU   1 -16.839  -0.828  -1.992
   10    HE2  GLU   1           HE2      GLU   1 -17.215  -2.001   1.195
   11    H    SER   2           H        SER   2 -14.197   1.727  -0.557
   12    HA   SER   2           HA       SER   2 -11.650   2.843  -1.069
   13    HB2  SER   2           2HB      SER   2 -13.788   4.031  -0.334
   14    HB3  SER   2           1HB      SER   2 -13.306   3.658   1.297
   15    HG   SER   2           HG       SER   2 -11.324   4.734   0.895
   16    H    ALA   3           H        ALA   3 -12.672   1.428   1.935
   17    HA   ALA   3           HA       ALA   3  -9.931   1.562   3.081
   18    HB1  ALA   3           3HB      ALA   3 -12.004   1.806   4.559
   19    HB2  ALA   3           1HB      ALA   3 -12.402   0.089   4.235
   20    HB3  ALA   3           2HB      ALA   3 -10.931   0.511   5.158
   21    H    LYS   4           H        LYS   4 -10.672  -0.182   0.959
   22    HA   LYS   4           HA       LYS   4  -8.563  -2.189   1.391
   23    HB2  LYS   4           2HB      LYS   4 -11.368  -2.945   0.277
   24    HB3  LYS   4           1HB      LYS   4  -9.986  -4.023   0.132
   25    HG2  LYS   4           2HG      LYS   4  -9.818  -4.195   2.647
   26    HG3  LYS   4           1HG      LYS   4 -11.246  -3.168   2.806
   27    HD2  LYS   4           1HD      LYS   4 -12.613  -4.843   1.494
   28    HD3  LYS   4           2HD      LYS   4 -11.191  -5.881   1.338
   29    HE2  LYS   4           2HE      LYS   4 -11.073  -6.103   3.871
   30    HE3  LYS   4           1HE      LYS   4 -12.498  -5.064   4.027
   31    HZ1  LYS   4           2HZ      LYS   4 -13.054  -7.402   4.106
   32    HZ3  LYS   4           1HZ      LYS   4 -12.404  -7.682   2.632
   33    H    HIS   5           H        HIS   5  -9.308   0.159  -0.231
   34    HA   HIS   5           HA       HIS   5  -7.632  -0.542  -2.633
   35    HB2  HIS   5           2HB      HIS   5 -10.072   0.200  -3.179
   36    HB3  HIS   5           1HB      HIS   5  -9.655   1.798  -2.572
   37    HD2  HIS   5           HD2      HIS   5  -8.561  -0.827  -5.275
   38    HE1  HIS   5           HE1      HIS   5  -6.978   2.803  -6.544
   39    HE2  HIS   5           HE2      HIS   5  -7.242   0.347  -7.255
   40    H    MET   6           H        MET   6  -8.195   1.894  -0.056
   41    HA   MET   6           HA       MET   6  -5.709   3.355  -0.747
   42    HB2  MET   6           1HB      MET   6  -7.338   3.774   1.845
   43    HB3  MET   6           2HB      MET   6  -6.162   4.849   1.116
   44    HG2  MET   6           2HG      MET   6  -8.103   4.671  -0.924
   45    HG3  MET   6           1HG      MET   6  -9.084   4.493   0.516
   46    HE1  MET   6           3HE      MET   6  -5.869   6.721  -0.601
   47    HE2  MET   6           1HE      MET   6  -6.695   8.305  -0.677
   48    HE3  MET   6           2HE      MET   6  -7.204   6.983  -1.767
   49    H    PHE   7           H        PHE   7  -6.979   1.049   1.685
   50    HA   PHE   7           HA       PHE   7  -4.431   0.757   3.113
   51    HB2  PHE   7           1HB      PHE   7  -7.118  -0.616   3.032
   52    HB3  PHE   7           2HB      PHE   7  -5.863  -1.592   3.686
   53    HD1  PHE   7           HD1      PHE   7  -4.686  -0.843   5.833
   54    HD2  PHE   7           HD2      PHE   7  -8.009   1.365   4.221
   55    HE1  PHE   7           HE1      PHE   7  -4.951   0.321   7.962
   56    HE2  PHE   7           HE2      PHE   7  -8.277   2.521   6.346
   57    HZ   PHE   7           HZ       PHE   7  -6.753   2.015   8.254
   58    H    ASP   8           H        ASP   8  -6.017  -0.966   0.481
   59    HA   ASP   8           HA       ASP   8  -4.100  -3.073   0.019
   60    HB2  ASP   8           1HB      ASP   8  -6.315  -2.758  -1.124
   61    HB3  ASP   8           2HB      ASP   8  -5.612  -1.608  -2.224
   62    HD2  ASP   8           HD2      ASP   8  -4.184  -2.282  -3.649
   63    H    ARG   9           H        ARG   9  -4.248   0.182  -1.455
   64    HA   ARG   9           HA       ARG   9  -1.660   0.098  -2.810
   65    HB2  ARG   9           1HB      ARG   9  -3.327   2.562  -1.998
   66    HB3  ARG   9           2HB      ARG   9  -1.859   2.684  -2.942
   67    HG2  ARG   9           2HG      ARG   9  -4.375   1.152  -3.865
   68    HG3  ARG   9           1HG      ARG   9  -3.987   2.814  -4.286
   69    HD2  ARG   9           1HD      ARG   9  -1.859   2.069  -5.414
   70    HD3  ARG   9           2HD      ARG   9  -2.195   0.395  -5.021
   71   HH11  ARG   9          2HH2      ARG   9  -3.767  -0.973  -5.311
   72   HH12  ARG   9          1HH2      ARG   9  -4.766  -1.721  -6.656
   73   HH21  ARG   9          1HH1      ARG   9  -4.624   1.097  -8.633
   74   HH22  ARG   9          2HH1      ARG   9  -5.218  -0.625  -8.410
   75    H    ILE  10           H        ILE  10  -2.551   1.831   0.240
   76    HA   ILE  10           HA       ILE  10   0.019   2.670   1.060
   77    HB   ILE  10           HB       ILE  10  -2.501   1.791   2.438
   78   HG12  ILE  10          1HG1      ILE  10  -1.234   4.580   2.220
   79   HG13  ILE  10          2HG1      ILE  10  -2.323   3.931   1.020
   80   HG21  ILE  10          1HG2      ILE  10  -0.939   1.298   4.185
   81   HG22  ILE  10          2HG2      ILE  10  -0.214   2.935   4.065
   82   HG23  ILE  10          3HG2      ILE  10  -1.912   2.703   4.608
   83   HD11  ILE  10          3HD1      ILE  10  -3.705   5.289   2.353
   84   HD12  ILE  10          1HD1      ILE  10  -4.127   3.612   2.773
   85   HD13  ILE  10          2HD1      ILE  10  -3.114   4.564   3.887
   86    H    GLY  11           H        GLY  11  -1.433  -0.450   1.619
   87    HA2  GLY  11           1HA      GLY  11   0.606  -1.757   3.137
   88    HA3  GLY  11           2HA      GLY  11  -0.526  -2.617   2.044
   89    H    LYS  12           H        LYS  12   0.561  -1.226  -0.291
   90    HA   LYS  12           HA       LYS  12   3.414  -2.123  -0.520
   91    HB2  LYS  12           2HB      LYS  12   1.314  -3.014  -2.640
   92    HB3  LYS  12           1HB      LYS  12   3.041  -3.226  -2.759
   93    HG2  LYS  12           2HG      LYS  12   2.566  -5.330  -2.124
   94    HG3  LYS  12           1HG      LYS  12   2.849  -4.661  -0.529
   95    HD2  LYS  12           2HD      LYS  12   0.276  -4.349  -0.311
   96    HD3  LYS  12           1HD      LYS  12   0.103  -5.104  -1.894
   97    HE2  LYS  12           1HE      LYS  12   1.205  -7.220  -1.001
   98    HE3  LYS  12           2HE      LYS  12   1.386  -6.454   0.584
   99    HZ1  LYS  12           2HZ      LYS  12  -1.202  -6.924  -0.792
  100    HZ3  LYS  12           1HZ      LYS  12  -1.033  -6.217   0.672
  101    H    ASP  13           H        ASP  13   2.510   0.425  -0.198
  102    HA   ASP  13           HA       ASP  13   3.856   1.698  -2.566
  103    HB2  ASP  13           1HB      ASP  13   1.278   2.205  -2.214
  104    HB3  ASP  13           2HB      ASP  13   1.808   3.089  -0.835
  105    HD2  ASP  13           HD2      ASP  13   1.878   2.851  -4.182
  106    H    VAL  14           H        VAL  14   3.095   2.099   0.872
  107    HA   VAL  14           HA       VAL  14   5.983   2.951   1.104
  108    HB   VAL  14           HB       VAL  14   5.680   4.316   2.983
  109   HG11  VAL  14          1HG1      VAL  14   3.848   5.188   0.676
  110   HG12  VAL  14          2HG1      VAL  14   5.623   5.265   0.692
  111   HG13  VAL  14          3HG1      VAL  14   4.681   6.277   1.833
  112   HG21  VAL  14          3HG2      VAL  14   3.388   5.075   3.796
  113   HG22  VAL  14          1HG2      VAL  14   2.616   3.922   2.662
  114   HG23  VAL  14          2HG2      VAL  14   3.597   3.318   4.015
  115    H    TYR  15           H        TYR  15   5.142   0.840   0.829
  116    HA   TYR  15           HA       TYR  15   6.644  -0.764   2.888
  117    HB2  TYR  15           2HB      TYR  15   4.259  -1.462   3.161
  118    HB3  TYR  15           1HB      TYR  15   4.165  -1.750   1.439
  119    HD1  TYR  15           HD2      TYR  15   5.947  -2.887   4.562
  120    HD2  TYR  15           HD1      TYR  15   4.983  -3.884   0.491
  121    HE1  TYR  15           HE2      TYR  15   6.929  -5.110   4.873
  122    HE2  TYR  15           HE1      TYR  15   5.967  -6.103   0.806
  123    HH   TYR  15           HH       TYR  15   7.415  -7.071   3.923
  124    H    ASP  16           H        ASP  16   5.622  -0.296  -0.497
  125    HA   ASP  16           HA       ASP  16   7.908  -1.989  -1.418
  126    HB2  ASP  16           2HB      ASP  16   5.659  -2.062  -2.692
  127    HB3  ASP  16           1HB      ASP  16   6.018  -0.416  -3.174
  128    HD2  ASP  16           HD2      ASP  16   8.223  -1.274  -5.682
  129    H    LYS  17           H        LYS  17   7.143   1.477  -1.063
  130    HA   LYS  17           HA       LYS  17   9.643   2.290  -2.370
  131    HB2  LYS  17           1HB      LYS  17   7.597   3.772  -2.128
  132    HB3  LYS  17           2HB      LYS  17   7.872   3.861  -0.391
  133    HG2  LYS  17           2HG      LYS  17  10.098   5.004  -0.829
  134    HG3  LYS  17           1HG      LYS  17   9.830   4.857  -2.568
  135    HD2  LYS  17           2HD      LYS  17   7.737   6.275  -2.359
  136    HD3  LYS  17           1HD      LYS  17   8.006   6.414  -0.617
  137    HE2  LYS  17           2HE      LYS  17  10.232   7.571  -1.052
  138    HE3  LYS  17           1HE      LYS  17   9.962   7.432  -2.796
  139    HZ1  LYS  17           2HZ      LYS  17   7.982   8.782  -2.563
  140    HZ3  LYS  17           1HZ      LYS  17   9.297   9.574  -2.000
  141    H    VAL  18           H        VAL  18   8.920   0.906   0.801
  142    HA   VAL  18           HA       VAL  18  11.359   1.997   2.045
  143    HB   VAL  18           HB       VAL  18  10.777   1.250   4.053
  144   HG11  VAL  18          3HG2      VAL  18   8.516   2.173   4.665
  145   HG12  VAL  18          1HG2      VAL  18   8.043   2.081   2.956
  146   HG13  VAL  18          2HG2      VAL  18   9.330   3.197   3.455
  147   HG21  VAL  18          1HG1      VAL  18   8.704  -0.686   3.088
  148   HG22  VAL  18          2HG1      VAL  18   8.822  -0.189   4.798
  149   HG23  VAL  18          3HG1      VAL  18  10.178  -1.007   4.004
  150    H    LYS  19           H        LYS  19   9.962  -1.110   1.364
  151    HA   LYS  19           HA       LYS  19  12.317  -2.715   1.757
  152    HB2  LYS  19           2HB      LYS  19   9.909  -3.500   1.503
  153    HB3  LYS  19           1HB      LYS  19  10.040  -3.292  -0.239
  154    HG2  LYS  19           2HG      LYS  19  11.832  -5.071  -0.301
  155    HG3  LYS  19           1HG      LYS  19  11.793  -5.191   1.460
  156    HD2  LYS  19           1HD      LYS  19   9.364  -5.896   1.357
  157    HD3  LYS  19           2HD      LYS  19   9.386  -5.800  -0.396
  158    HE2  LYS  19           1HE      LYS  19  11.170  -7.700   1.286
  159    HE3  LYS  19           2HE      LYS  19   9.620  -8.146   0.579
  160    HZ1  LYS  19           2HZ      LYS  19  11.403  -8.848  -0.820
  161    HZ3  LYS  19           1HZ      LYS  19  10.508  -7.734  -1.613
  162    H    GLU  20           H        GLU  20  11.907  -0.402  -0.701
  163    HA   GLU  20           HA       GLU  20  13.691  -1.669  -2.711
  164    HB2  GLU  20           1HB      GLU  20  11.557  -0.780  -3.534
  165    HB3  GLU  20           2HB      GLU  20  11.988   0.785  -2.899
  166    HG2  GLU  20           2HG      GLU  20  12.319   0.834  -5.281
  167    HG3  GLU  20           1HG      GLU  20  13.894   0.978  -4.518
  168    HE2  GLU  20           HE2      GLU  20  15.267  -0.609  -4.668
  169    HN1  NH2  21           2HN      NH2  21  13.550   1.682  -1.608
  170    HN2  NH2  21           1HN      NH2  21  14.400   0.950  -0.242
  Start of MODEL   23
    1    H1   ACE   1           3HA      ACE   1 -13.135  -4.418  -0.225
    2    H2   ACE   1           1HA      ACE   1 -12.604  -4.860  -1.865
    3    H3   ACE   1           2HA      ACE   1 -14.336  -4.612  -1.535
    4    H    GLU   1           H        GLU   1 -14.698  -2.380  -0.464
    5    HA   GLU   1           HA       GLU   1 -14.241  -0.370  -2.360
    6    HB2  GLU   1           2HB      GLU   1 -15.334  -0.031   0.470
    7    HB3  GLU   1           1HB      GLU   1 -15.570   1.060  -0.878
    8    HG2  GLU   1           1HG      GLU   1 -16.725  -1.698  -0.603
    9    HG3  GLU   1           2HG      GLU   1 -17.537  -0.126  -0.484
   10    HE2  GLU   1           HE2      GLU   1 -17.747   1.084  -2.247
   11    H    SER   2           H        SER   2 -14.112   1.789  -0.469
   12    HA   SER   2           HA       SER   2 -11.555   2.934  -0.964
   13    HB2  SER   2           2HB      SER   2 -13.663   4.126  -0.196
   14    HB3  SER   2           1HB      SER   2 -13.208   3.687   1.424
   15    HG   SER   2           HG       SER   2 -11.208   4.758   1.090
   16    H    ALA   3           H        ALA   3 -12.553   1.454   2.001
   17    HA   ALA   3           HA       ALA   3  -9.806   1.566   3.135
   18    HB1  ALA   3           3HB      ALA   3 -10.788   0.491   5.206
   19    HB2  ALA   3           1HB      ALA   3 -12.271   0.087   4.290
   20    HB3  ALA   3           2HB      ALA   3 -11.859   1.798   4.631
   21    H    LYS   4           H        LYS   4 -10.535  -0.130   0.994
   22    HA   LYS   4           HA       LYS   4  -8.406  -2.103   1.363
   23    HB2  LYS   4           1HB      LYS   4 -11.032  -3.087   1.671
   24    HB3  LYS   4           2HB      LYS   4 -10.833  -3.328  -0.043
   25    HG2  LYS   4           1HG      LYS   4  -9.021  -4.466   2.195
   26    HG3  LYS   4           2HG      LYS   4 -10.319  -5.340   1.396
   27    HD2  LYS   4           2HD      LYS   4  -9.093  -5.156  -0.813
   28    HD3  LYS   4           1HD      LYS   4  -7.753  -4.350  -0.012
   29    HE2  LYS   4           2HE      LYS   4  -8.722  -7.211   0.668
   30    HE3  LYS   4           1HE      LYS   4  -7.420  -6.834  -0.458
   31    HZ1  LYS   4           2HZ      LYS   4  -6.590  -7.381   1.724
   32    HZ3  LYS   4           1HZ      LYS   4  -7.426  -6.166   2.429
   33    H    HIS   5           H        HIS   5  -9.237   0.204  -0.209
   34    HA   HIS   5           HA       HIS   5  -7.634  -0.436  -2.666
   35    HB2  HIS   5           2HB      HIS   5 -10.061   0.254  -3.155
   36    HB3  HIS   5           1HB      HIS   5  -9.762   1.803  -2.375
   37    HD2  HIS   5           HD2      HIS   5  -7.977  -0.350  -5.190
   38    HE1  HIS   5           HE1      HIS   5  -7.974   3.601  -6.493
   39    HE2  HIS   5           HE2      HIS   5  -7.256   1.233  -7.195
   40    H    MET   6           H        MET   6  -8.120   1.968  -0.035
   41    HA   MET   6           HA       MET   6  -5.625   3.400  -0.756
   42    HB2  MET   6           2HB      MET   6  -7.229   3.798   1.863
   43    HB3  MET   6           1HB      MET   6  -6.055   4.882   1.139
   44    HG2  MET   6           2HG      MET   6  -7.977   4.760  -0.886
   45    HG3  MET   6           1HG      MET   6  -8.992   4.528   0.522
   46    HE1  MET   6           3HE      MET   6  -9.720   6.385   2.186
   47    HE2  MET   6           1HE      MET   6  -8.724   7.820   2.570
   48    HE3  MET   6           2HE      MET   6  -8.103   6.183   2.932
   49    H    PHE   7           H        PHE   7  -6.881   1.133   1.723
   50    HA   PHE   7           HA       PHE   7  -4.299   0.767   3.057
   51    HB2  PHE   7           1HB      PHE   7  -7.000  -0.591   3.034
   52    HB3  PHE   7           2HB      PHE   7  -5.736  -1.543   3.695
   53    HD1  PHE   7           HD1      PHE   7  -4.531  -0.742   5.811
   54    HD2  PHE   7           HD2      PHE   7  -7.895   1.403   4.202
   55    HE1  PHE   7           HE1      PHE   7  -4.780   0.459   7.922
   56    HE2  PHE   7           HE2      PHE   7  -8.149   2.597   6.309
   57    HZ   PHE   7           HZ       PHE   7  -6.595   2.141   8.206
   58    H    ASP   8           H        ASP   8  -5.994  -0.925   0.457
   59    HA   ASP   8           HA       ASP   8  -4.134  -3.073  -0.024
   60    HB2  ASP   8           1HB      ASP   8  -6.386  -2.681  -1.104
   61    HB3  ASP   8           2HB      ASP   8  -5.653  -1.607  -2.258
   62    HD2  ASP   8           HD2      ASP   8  -4.201  -4.135  -4.142
   63    H    ARG   9           H        ARG   9  -4.239   0.189  -1.506
   64    HA   ARG   9           HA       ARG   9  -1.687   0.033  -2.929
   65    HB2  ARG   9           1HB      ARG   9  -3.362   2.483  -2.101
   66    HB3  ARG   9           2HB      ARG   9  -1.818   2.654  -2.922
   67    HG2  ARG   9           2HG      ARG   9  -2.601   1.376  -4.887
   68    HG3  ARG   9           1HG      ARG   9  -4.155   1.041  -4.123
   69    HD2  ARG   9           1HD      ARG   9  -4.758   3.461  -4.113
   70    HD3  ARG   9           2HD      ARG   9  -3.147   3.903  -4.709
   71   HH11  ARG   9          1HH1      ARG   9  -4.686   5.403  -5.563
   72   HH12  ARG   9          2HH1      ARG   9  -5.343   5.861  -7.214
   73   HH21  ARG   9          2HH2      ARG   9  -5.109   2.653  -8.445
   74   HH22  ARG   9          1HH2      ARG   9  -5.565   4.406  -8.734
   75    H    ILE  10           H        ILE  10  -2.469   1.795   0.137
   76    HA   ILE  10           HA       ILE  10   0.139   2.562   0.890
   77    HB   ILE  10           HB       ILE  10  -2.369   1.756   2.336
   78   HG12  ILE  10          2HG1      ILE  10  -1.033   4.509   2.084
   79   HG13  ILE  10          1HG1      ILE  10  -2.164   3.885   0.907
   80   HG21  ILE  10          1HG2      ILE  10  -0.010   2.837   3.902
   81   HG22  ILE  10          2HG2      ILE  10  -0.780   1.223   4.045
   82   HG23  ILE  10          3HG2      ILE  10  -1.700   2.658   4.489
   83   HD11  ILE  10          3HD1      ILE  10  -3.481   5.282   2.271
   84   HD12  ILE  10          1HD1      ILE  10  -2.876   4.540   3.791
   85   HD13  ILE  10          2HD1      ILE  10  -3.938   3.616   2.699
   86    H    GLY  11           H        GLY  11  -1.379  -0.518   1.489
   87    HA2  GLY  11           1HA      GLY  11   0.639  -1.894   2.971
   88    HA3  GLY  11           2HA      GLY  11  -0.519  -2.715   1.879
   89    H    LYS  12           H        LYS  12   0.569  -1.333  -0.452
   90    HA   LYS  12           HA       LYS  12   3.412  -2.213  -0.701
   91    HB2  LYS  12           2HB      LYS  12   1.826  -4.187  -1.404
   92    HB3  LYS  12           1HB      LYS  12   1.336  -3.207  -2.780
   93    HG2  LYS  12           2HG      LYS  12   3.735  -3.195  -3.599
   94    HG3  LYS  12           1HG      LYS  12   4.239  -4.096  -2.169
   95    HD2  LYS  12           1HD      LYS  12   2.753  -6.016  -2.862
   96    HD3  LYS  12           2HD      LYS  12   2.234  -5.133  -4.289
   97    HE2  LYS  12           2HE      LYS  12   5.166  -5.960  -3.704
   98    HE3  LYS  12           1HE      LYS  12   4.041  -6.890  -4.690
   99    HZ1  LYS  12           2HZ      LYS  12   5.433  -5.546  -6.062
  100    HZ3  LYS  12           1HZ      LYS  12   3.883  -5.055  -6.229
  101    H    ASP  13           H        ASP  13   2.555   0.287  -0.420
  102    HA   ASP  13           HA       ASP  13   3.874   1.550  -2.789
  103    HB2  ASP  13           1HB      ASP  13   1.281   2.041  -2.450
  104    HB3  ASP  13           2HB      ASP  13   1.805   2.944  -1.085
  105    HD2  ASP  13           HD2      ASP  13   3.094   5.640  -2.845
  106    H    VAL  14           H        VAL  14   3.054   1.963   0.643
  107    HA   VAL  14           HA       VAL  14   5.926   2.847   0.915
  108    HB   VAL  14           HB       VAL  14   5.578   4.202   2.783
  109   HG11  VAL  14          3HG2      VAL  14   5.564   5.153   0.496
  110   HG12  VAL  14          1HG2      VAL  14   4.586   6.158   1.612
  111   HG13  VAL  14          2HG2      VAL  14   3.791   5.060   0.437
  112   HG21  VAL  14          1HG1      VAL  14   3.260   4.955   3.543
  113   HG22  VAL  14          2HG1      VAL  14   2.523   3.786   2.401
  114   HG23  VAL  14          3HG1      VAL  14   3.477   3.202   3.780
  115    H    TYR  15           H        TYR  15   5.159   0.741   0.629
  116    HA   TYR  15           HA       TYR  15   6.663  -0.845   2.710
  117    HB2  TYR  15           1HB      TYR  15   4.298  -1.592   2.991
  118    HB3  TYR  15           2HB      TYR  15   4.170  -1.853   1.267
  119    HD1  TYR  15           HD1      TYR  15   6.044  -3.019   4.325
  120    HD2  TYR  15           HD2      TYR  15   4.974  -3.965   0.268
  121    HE1  TYR  15           HE1      TYR  15   7.082  -5.224   4.565
  122    HE2  TYR  15           HE2      TYR  15   6.017  -6.165   0.511
  123    HH   TYR  15           HH       TYR  15   7.135  -7.550   1.849
  124    H    ASP  16           H        ASP  16   5.605  -0.381  -0.693
  125    HA   ASP  16           HA       ASP  16   7.819  -2.092  -1.728
  126    HB2  ASP  16           1HB      ASP  16   5.582  -1.958  -2.970
  127    HB3  ASP  16           2HB      ASP  16   6.016  -0.307  -3.351
  128    HD2  ASP  16           HD2      ASP  16   6.873  -3.566  -3.659
  129    H    LYS  17           H        LYS  17   7.140   1.398  -1.268
  130    HA   LYS  17           HA       LYS  17   9.746   2.216  -2.435
  131    HB2  LYS  17           2HB      LYS  17   7.691   3.780  -0.756
  132    HB3  LYS  17           1HB      LYS  17   9.159   4.490  -1.399
  133    HG2  LYS  17           2HG      LYS  17   8.451   4.177  -3.727
  134    HG3  LYS  17           1HG      LYS  17   7.055   3.217  -3.248
  135    HD2  LYS  17           1HD      LYS  17   6.106   5.212  -1.993
  136    HD3  LYS  17           2HD      LYS  17   7.471   6.190  -2.548
  137    HE2  LYS  17           2HE      LYS  17   6.774   5.770  -4.965
  138    HE3  LYS  17           1HE      LYS  17   5.415   4.785  -4.399
  139    HZ1  LYS  17           2HZ      LYS  17   5.836   7.662  -3.807
  140    HZ3  LYS  17           1HZ      LYS  17   4.768   7.049  -4.882
  141    H    VAL  18           H        VAL  18   8.772   0.758   0.409
  142    HA   VAL  18           HA       VAL  18  10.783   1.956   2.250
  143    HB   VAL  18           HB       VAL  18   8.411   0.233   2.927
  144   HG11  VAL  18          3HG2      VAL  18   8.928   0.148   5.255
  145   HG12  VAL  18          1HG2      VAL  18  10.560   0.838   4.937
  146   HG13  VAL  18          2HG2      VAL  18  10.084  -0.761   4.275
  147   HG21  VAL  18          1HG1      VAL  18   7.935   2.664   2.743
  148   HG22  VAL  18          2HG1      VAL  18   7.720   2.076   4.399
  149   HG23  VAL  18          3HG1      VAL  18   9.186   3.002   3.972
  150    H    LYS  19           H        LYS  19   9.814  -1.236   1.059
  151    HA   LYS  19           HA       LYS  19  12.209  -2.610   1.942
  152    HB2  LYS  19           1HB      LYS  19   9.929  -3.588   1.296
  153    HB3  LYS  19           2HB      LYS  19  10.339  -3.341  -0.397
  154    HG2  LYS  19           1HG      LYS  19  12.252  -4.971  -0.157
  155    HG3  LYS  19           2HG      LYS  19  11.942  -5.103   1.577
  156    HD2  LYS  19           2HD      LYS  19   9.625  -6.017   1.088
  157    HD3  LYS  19           1HD      LYS  19   9.948  -5.898  -0.646
  158    HE2  LYS  19           2HE      LYS  19  11.877  -7.536  -0.401
  159    HE3  LYS  19           1HE      LYS  19  11.566  -7.645   1.338
  160    HZ1  LYS  19           2HZ      LYS  19   9.670  -8.407  -0.814
  161    HZ3  LYS  19           1HZ      LYS  19  10.539  -9.439   0.109
  162    H    GLU  20           H        GLU  20  11.983  -0.236  -0.480
  163    HA   GLU  20           HA       GLU  20  14.093  -1.303  -2.268
  164    HB2  GLU  20           1HB      GLU  20  11.929  -0.533  -3.269
  165    HB3  GLU  20           2HB      GLU  20  12.307   1.073  -2.690
  166    HG2  GLU  20           1HG      GLU  20  14.041  -0.561  -4.630
  167    HG3  GLU  20           2HG      GLU  20  12.744   0.514  -5.147
  168    HE2  GLU  20           HE2      GLU  20  14.436   3.500  -4.524
  169    HN1  NH2  21           2HN      NH2  21  14.271   1.296   0.334
  170    HN2  NH2  21           1HN      NH2  21  13.486   1.971  -1.103
  Start of MODEL   24
    1    H1   ACE   1           3HA      ACE   1 -12.194  -4.571  -3.065
    2    H2   ACE   1           1HA      ACE   1 -12.504  -4.548  -1.313
    3    H3   ACE   1           2HA      ACE   1 -13.868  -4.658  -2.463
    4    H    GLU   1           H        GLU   1 -14.367  -2.758  -0.925
    5    HA   GLU   1           HA       GLU   1 -14.417  -0.359  -2.359
    6    HB2  GLU   1           2HB      GLU   1 -15.061  -0.916   0.595
    7    HB3  GLU   1           1HB      GLU   1 -15.514   0.550  -0.212
    8    HG2  GLU   1           1HG      GLU   1 -16.899  -0.455  -1.846
    9    HG3  GLU   1           2HG      GLU   1 -16.469  -2.092  -1.331
   10    HE2  GLU   1           HE2      GLU   1 -19.163   0.137   0.704
   11    H    SER   2           H        SER   2 -14.208   1.618  -0.484
   12    HA   SER   2           HA       SER   2 -11.688   2.847  -0.949
   13    HB2  SER   2           2HB      SER   2 -13.851   3.953  -0.181
   14    HB3  SER   2           1HB      SER   2 -13.382   3.516   1.436
   15    HG   SER   2           HG       SER   2 -11.837   5.052  -0.379
   16    H    ALA   3           H        ALA   3 -12.681   1.288   1.993
   17    HA   ALA   3           HA       ALA   3  -9.942   1.451   3.149
   18    HB1  ALA   3           3HB      ALA   3 -12.390  -0.085   4.268
   19    HB2  ALA   3           1HB      ALA   3 -12.013   1.628   4.637
   20    HB3  ALA   3           2HB      ALA   3 -10.922   0.332   5.199
   21    H    LYS   4           H        LYS   4 -10.670  -0.246   0.982
   22    HA   LYS   4           HA       LYS   4  -8.523  -2.224   1.350
   23    HB2  LYS   4           1HB      LYS   4 -11.323  -2.990   0.238
   24    HB3  LYS   4           2HB      LYS   4  -9.946  -4.056   0.053
   25    HG2  LYS   4           2HG      LYS   4 -11.219  -3.295   2.751
   26    HG3  LYS   4           1HG      LYS   4 -11.507  -4.774   1.852
   27    HD2  LYS   4           1HD      LYS   4  -9.073  -5.418   2.066
   28    HD3  LYS   4           2HD      LYS   4  -8.758  -3.939   2.979
   29    HE2  LYS   4           1HE      LYS   4 -10.396  -4.685   4.772
   30    HE3  LYS   4           2HE      LYS   4 -10.716  -6.170   3.863
   31    HZ1  LYS   4           2HZ      LYS   4  -8.356  -6.723   4.067
   32    HZ3  LYS   4           1HZ      LYS   4  -8.059  -5.352   4.906
   33    H    HIS   5           H        HIS   5  -9.306   0.149  -0.203
   34    HA   HIS   5           HA       HIS   5  -7.635  -0.463  -2.630
   35    HB2  HIS   5           2HB      HIS   5 -10.008   0.219  -3.265
   36    HB3  HIS   5           1HB      HIS   5  -9.808   1.735  -2.393
   37    HD2  HIS   5           HD2      HIS   5  -7.937  -0.236  -5.277
   38    HE1  HIS   5           HE1      HIS   5  -7.372   3.816  -6.030
   39    HE2  HIS   5           HE2      HIS   5  -6.832   1.484  -6.969
   40    H    MET   6           H        MET   6  -8.225   1.908   0.015
   41    HA   MET   6           HA       MET   6  -5.737   3.378  -0.627
   42    HB2  MET   6           1HB      MET   6  -7.376   3.728   1.969
   43    HB3  MET   6           2HB      MET   6  -6.193   4.822   1.276
   44    HG2  MET   6           2HG      MET   6  -8.098   4.712  -0.780
   45    HG3  MET   6           1HG      MET   6  -9.115   4.493   0.638
   46    HE1  MET   6           3HE      MET   6  -9.436   8.397  -0.215
   47    HE2  MET   6           1HE      MET   6  -9.223   7.056  -1.379
   48    HE3  MET   6           2HE      MET   6 -10.345   6.874   0.006
   49    H    PHE   7           H        PHE   7  -6.990   1.022   1.761
   50    HA   PHE   7           HA       PHE   7  -4.424   0.715   3.158
   51    HB2  PHE   7           2HB      PHE   7  -7.100  -0.684   3.053
   52    HB3  PHE   7           1HB      PHE   7  -5.843  -1.655   3.690
   53    HD1  PHE   7           HD1      PHE   7  -4.669  -0.926   5.856
   54    HD2  PHE   7           HD2      PHE   7  -8.024   1.260   4.280
   55    HE1  PHE   7           HE1      PHE   7  -4.952   0.196   8.003
   56    HE2  PHE   7           HE2      PHE   7  -8.311   2.375   6.423
   57    HZ   PHE   7           HZ       PHE   7  -6.780   1.858   8.325
   58    H    ASP   8           H        ASP   8  -6.010  -0.935   0.481
   59    HA   ASP   8           HA       ASP   8  -4.098  -3.041  -0.009
   60    HB2  ASP   8           2HB      ASP   8  -6.307  -2.725  -1.155
   61    HB3  ASP   8           1HB      ASP   8  -5.615  -1.550  -2.231
   62    HD2  ASP   8           HD2      ASP   8  -4.030  -3.855  -4.256
   63    H    ARG   9           H        ARG   9  -4.239   0.228  -1.486
   64    HA   ARG   9           HA       ARG   9  -1.604   0.005  -2.747
   65    HB2  ARG   9           1HB      ARG   9  -1.603   2.260  -3.474
   66    HB3  ARG   9           2HB      ARG   9  -3.137   1.486  -3.815
   67    HG2  ARG   9           1HG      ARG   9  -3.926   2.690  -1.560
   68    HG3  ARG   9           2HG      ARG   9  -2.519   3.703  -1.774
   69    HD2  ARG   9           1HD      ARG   9  -4.873   3.349  -3.769
   70    HD3  ARG   9           2HD      ARG   9  -4.652   4.691  -2.673
   71   HH11  ARG   9          2HH1      ARG   9  -4.475   2.918  -5.611
   72   HH12  ARG   9          1HH1      ARG   9  -3.747   3.432  -7.215
   73   HH21  ARG   9          2HH2      ARG   9  -1.933   6.006  -5.827
   74   HH22  ARG   9          1HH2      ARG   9  -2.406   5.060  -7.326
   75    H    ILE  10           H        ILE  10  -2.562   1.801   0.269
   76    HA   ILE  10           HA       ILE  10  -0.002   2.685   1.061
   77    HB   ILE  10           HB       ILE  10  -2.496   1.774   2.468
   78   HG12  ILE  10          1HG1      ILE  10  -1.266   4.579   2.224
   79   HG13  ILE  10          2HG1      ILE  10  -2.365   3.910   1.044
   80   HG21  ILE  10          1HG2      ILE  10  -0.222   2.960   4.082
   81   HG22  ILE  10          2HG2      ILE  10  -1.913   2.697   4.630
   82   HG23  ILE  10          3HG2      ILE  10  -0.916   1.309   4.207
   83   HD11  ILE  10          3HD1      ILE  10  -4.129   3.567   2.849
   84   HD12  ILE  10          1HD1      ILE  10  -3.758   5.243   2.378
   85   HD13  ILE  10          2HD1      ILE  10  -3.113   4.569   3.914
   86    H    GLY  11           H        GLY  11  -1.408  -0.459   1.677
   87    HA2  GLY  11           2HA      GLY  11   0.719  -1.697   3.148
   88    HA3  GLY  11           1HA      GLY  11  -0.455  -2.596   2.138
   89    H    LYS  12           H        LYS  12   0.595  -1.178  -0.215
   90    HA   LYS  12           HA       LYS  12   3.428  -2.077  -0.552
   91    HB2  LYS  12           2HB      LYS  12   2.991  -3.327  -2.677
   92    HB3  LYS  12           1HB      LYS  12   2.176  -4.059  -1.313
   93    HG2  LYS  12           1HG      LYS  12  -0.001  -3.020  -2.007
   94    HG3  LYS  12           2HG      LYS  12   0.780  -2.224  -3.371
   95    HD2  LYS  12           2HD      LYS  12   1.324  -4.461  -4.392
   96    HD3  LYS  12           1HD      LYS  12   0.703  -5.280  -2.967
   97    HE2  LYS  12           1HE      LYS  12  -1.007  -5.456  -4.651
   98    HE3  LYS  12           2HE      LYS  12  -1.622  -4.365  -3.414
   99    HZ1  LYS  12           2HZ      LYS  12  -1.041  -2.499  -4.842
  100    HZ3  LYS  12           1HZ      LYS  12  -2.066  -3.524  -5.598
  101    H    ASP  13           H        ASP  13   2.492   0.500  -0.258
  102    HA   ASP  13           HA       ASP  13   3.851   1.743  -2.636
  103    HB2  ASP  13           1HB      ASP  13   1.261   2.290  -2.249
  104    HB3  ASP  13           2HB      ASP  13   1.837   3.173  -0.894
  105    HD2  ASP  13           HD2      ASP  13   1.860   2.907  -4.241
  106    H    VAL  14           H        VAL  14   3.109   2.180   0.805
  107    HA   VAL  14           HA       VAL  14   6.005   3.000   1.016
  108    HB   VAL  14           HB       VAL  14   5.728   4.400   2.868
  109   HG11  VAL  14          1HG1      VAL  14   3.902   5.262   0.553
  110   HG12  VAL  14          2HG1      VAL  14   4.755   6.358   1.689
  111   HG13  VAL  14          3HG1      VAL  14   5.678   5.312   0.562
  112   HG21  VAL  14          3HG2      VAL  14   3.451   5.211   3.674
  113   HG22  VAL  14          1HG2      VAL  14   3.634   3.456   3.925
  114   HG23  VAL  14          2HG2      VAL  14   2.658   4.049   2.564
  115    H    TYR  15           H        TYR  15   5.135   0.900   0.772
  116    HA   TYR  15           HA       TYR  15   6.598  -0.680   2.871
  117    HB2  TYR  15           1HB      TYR  15   4.208  -1.360   3.149
  118    HB3  TYR  15           2HB      TYR  15   4.118  -1.703   1.438
  119    HD1  TYR  15           HD2      TYR  15   5.866  -2.747   4.607
  120    HD2  TYR  15           HD1      TYR  15   4.970  -3.860   0.550
  121    HE1  TYR  15           HE2      TYR  15   6.842  -4.962   4.997
  122    HE2  TYR  15           HE1      TYR  15   5.953  -6.069   0.944
  123    HH   TYR  15           HH       TYR  15   6.967  -7.413   2.398
  124    H    ASP  16           H        ASP  16   5.625  -0.262  -0.533
  125    HA   ASP  16           HA       ASP  16   7.892  -2.014  -1.390
  126    HB2  ASP  16           1HB      ASP  16   5.650  -2.091  -2.682
  127    HB3  ASP  16           2HB      ASP  16   6.039  -0.466  -3.204
  128    HD2  ASP  16           HD2      ASP  16   7.526  -0.159  -4.643
  129    H    LYS  17           H        LYS  17   7.146   1.471  -1.133
  130    HA   LYS  17           HA       LYS  17   9.690   2.217  -2.422
  131    HB2  LYS  17           1HB      LYS  17   7.757   3.822  -0.639
  132    HB3  LYS  17           2HB      LYS  17   9.249   4.505  -1.256
  133    HG2  LYS  17           1HG      LYS  17   8.572   4.231  -3.596
  134    HG3  LYS  17           2HG      LYS  17   7.116   3.349  -3.144
  135    HD2  LYS  17           2HD      LYS  17   6.195   5.375  -1.969
  136    HD3  LYS  17           1HD      LYS  17   7.679   6.257  -2.301
  137    HE2  LYS  17           2HE      LYS  17   6.046   7.014  -3.902
  138    HE3  LYS  17           1HE      LYS  17   7.252   6.093  -4.795
  139    HZ1  LYS  17           2HZ      LYS  17   5.713   4.192  -4.749
  140    HZ3  LYS  17           1HZ      LYS  17   4.604   5.062  -3.921
  141    H    VAL  18           H        VAL  18   8.912   0.914   0.761
  142    HA   VAL  18           HA       VAL  18  11.345   2.033   1.996
  143    HB   VAL  18           HB       VAL  18  10.727   1.354   4.022
  144   HG11  VAL  18          1HG1      VAL  18   8.021   2.176   2.854
  145   HG12  VAL  18          2HG1      VAL  18   9.304   3.294   3.358
  146   HG13  VAL  18          3HG1      VAL  18   8.456   2.301   4.571
  147   HG21  VAL  18          3HG2      VAL  18  10.109  -0.899   4.028
  148   HG22  VAL  18          1HG2      VAL  18   8.659  -0.593   3.069
  149   HG23  VAL  18          2HG2      VAL  18   8.740  -0.052   4.766
  150    H    LYS  19           H        LYS  19   9.928  -1.083   1.397
  151    HA   LYS  19           HA       LYS  19  12.269  -2.691   1.864
  152    HB2  LYS  19           1HB      LYS  19   9.851  -3.455   1.633
  153    HB3  LYS  19           2HB      LYS  19   9.989  -3.314  -0.116
  154    HG2  LYS  19           2HG      LYS  19  11.744  -5.127  -0.112
  155    HG3  LYS  19           1HG      LYS  19  11.716  -5.170   1.654
  156    HD2  LYS  19           2HD      LYS  19   9.269  -5.840   1.595
  157    HD3  LYS  19           1HD      LYS  19   9.303  -5.806  -0.171
  158    HE2  LYS  19           2HE      LYS  19  11.062  -7.642  -0.174
  159    HE3  LYS  19           1HE      LYS  19  11.041  -7.667   1.597
  160    HZ1  LYS  19           2HZ      LYS  19   8.680  -8.246   1.493
  161    HZ3  LYS  19           1HZ      LYS  19   8.699  -8.224  -0.141
  162    H    GLU  20           H        GLU  20  11.898  -0.461  -0.664
  163    HA   GLU  20           HA       GLU  20  13.686  -1.814  -2.613
  164    HB2  GLU  20           1HB      GLU  20  11.551  -0.974  -3.477
  165    HB3  GLU  20           2HB      GLU  20  11.987   0.635  -2.944
  166    HG2  GLU  20           2HG      GLU  20  13.911   0.687  -4.570
  167    HG3  GLU  20           1HG      GLU  20  13.550  -0.967  -5.070
  168    HE2  GLU  20           HE2      GLU  20  10.849  -0.144  -7.072
  169    HN1  NH2  21           2HN      NH2  21  13.513   1.587  -1.684
  170    HN2  NH2  21           1HN      NH2  21  14.372   0.942  -0.277
  Start of MODEL   25
    1    H1   ACE   1           3HA      ACE   1 -12.052  -4.450  -1.522
    2    H2   ACE   1           1HA      ACE   1 -13.713  -4.650  -2.152
    3    H3   ACE   1           2HA      ACE   1 -12.344  -4.490  -3.277
    4    H    GLU   1           H        GLU   1 -14.203  -2.791  -0.828
    5    HA   GLU   1           HA       GLU   1 -14.460  -0.386  -2.218
    6    HB2  GLU   1           2HB      GLU   1 -14.913  -0.886   0.778
    7    HB3  GLU   1           1HB      GLU   1 -15.519   0.463  -0.132
    8    HG2  GLU   1           1HG      GLU   1 -17.373  -0.812  -0.025
    9    HG3  GLU   1           2HG      GLU   1 -16.810  -1.028  -1.672
   10    HE2  GLU   1           HE2      GLU   1 -16.584  -4.455  -1.407
   11    H    SER   2           H        SER   2 -14.215   1.664  -0.371
   12    HA   SER   2           HA       SER   2 -11.712   2.871  -0.943
   13    HB2  SER   2           2HB      SER   2 -13.853   4.006  -0.163
   14    HB3  SER   2           1HB      SER   2 -13.345   3.623   1.459
   15    HG   SER   2           HG       SER   2 -11.392   4.745   1.049
   16    H    ALA   3           H        ALA   3 -12.632   1.438   2.082
   17    HA   ALA   3           HA       ALA   3  -9.858   1.601   3.147
   18    HB1  ALA   3           3HB      ALA   3 -11.883   1.861   4.686
   19    HB2  ALA   3           1HB      ALA   3 -12.295   0.142   4.388
   20    HB3  ALA   3           2HB      ALA   3 -10.795   0.568   5.262
   21    H    LYS   4           H        LYS   4 -10.662  -0.150   1.056
   22    HA   LYS   4           HA       LYS   4  -8.562  -2.177   1.453
   23    HB2  LYS   4           2HB      LYS   4 -11.386  -2.868   0.346
   24    HB3  LYS   4           1HB      LYS   4 -10.042  -3.992   0.219
   25    HG2  LYS   4           1HG      LYS   4  -9.895  -4.190   2.706
   26    HG3  LYS   4           2HG      LYS   4 -11.231  -3.071   2.911
   27    HD2  LYS   4           1HD      LYS   4 -11.406  -5.788   1.470
   28    HD3  LYS   4           2HD      LYS   4 -11.860  -5.511   3.136
   29    HE2  LYS   4           2HE      LYS   4 -13.265  -4.235   0.691
   30    HE3  LYS   4           1HE      LYS   4 -13.831  -5.633   1.589
   31    HZ1  LYS   4           2HZ      LYS   4 -14.953  -3.670   2.305
   32    HZ3  LYS   4           1HZ      LYS   4 -14.073  -4.265   3.548
   33    H    HIS   5           H        HIS   5  -9.305   0.186  -0.173
   34    HA   HIS   5           HA       HIS   5  -7.658  -0.547  -2.587
   35    HB2  HIS   5           1HB      HIS   5 -10.049   0.160  -3.193
   36    HB3  HIS   5           2HB      HIS   5  -9.745   1.735  -2.461
   37    HD2  HIS   5           HD2      HIS   5  -7.173  -0.266  -4.669
   38    HE1  HIS   5           HE1      HIS   5  -8.130   3.176  -6.799
   39    HE2  HIS   5           HE2      HIS   5  -6.584   1.122  -6.853
   40    H    MET   6           H        MET   6  -8.180   1.907  -0.013
   41    HA   MET   6           HA       MET   6  -5.688   3.340  -0.744
   42    HB2  MET   6           1HB      MET   6  -7.255   3.790   1.881
   43    HB3  MET   6           2HB      MET   6  -6.098   4.854   1.106
   44    HG2  MET   6           2HG      MET   6  -8.083   4.684  -0.868
   45    HG3  MET   6           1HG      MET   6  -9.043   4.509   0.593
   46    HE1  MET   6           3HE      MET   6  -9.150   7.013  -1.547
   47    HE2  MET   6           1HE      MET   6  -9.363   8.387  -0.423
   48    HE3  MET   6           2HE      MET   6 -10.272   6.871  -0.158
   49    H    PHE   7           H        PHE   7  -6.940   1.050   1.709
   50    HA   PHE   7           HA       PHE   7  -4.374   0.753   3.105
   51    HB2  PHE   7           1HB      PHE   7  -7.071  -0.603   3.066
   52    HB3  PHE   7           2HB      PHE   7  -5.817  -1.586   3.704
   53    HD1  PHE   7           HD1      PHE   7  -7.926   1.392   4.264
   54    HD2  PHE   7           HD2      PHE   7  -4.603  -0.846   5.834
   55    HE1  PHE   7           HE1      PHE   7  -8.154   2.555   6.390
   56    HE2  PHE   7           HE2      PHE   7  -4.827   0.323   7.964
   57    HZ   PHE   7           HZ       PHE   7  -6.609   2.036   8.279
   58    H    ASP   8           H        ASP   8  -6.005  -0.970   0.503
   59    HA   ASP   8           HA       ASP   8  -4.104  -3.093   0.035
   60    HB2  ASP   8           1HB      ASP   8  -6.335  -2.774  -1.079
   61    HB3  ASP   8           2HB      ASP   8  -5.638  -1.642  -2.202
   62    HD2  ASP   8           HD2      ASP   8  -4.102  -4.041  -4.163
   63    H    ARG   9           H        ARG   9  -4.252   0.150  -1.463
   64    HA   ARG   9           HA       ARG   9  -1.684   0.044  -2.859
   65    HB2  ARG   9           2HB      ARG   9  -3.343   2.501  -2.021
   66    HB3  ARG   9           1HB      ARG   9  -1.849   2.633  -2.937
   67    HG2  ARG   9           2HG      ARG   9  -2.772   1.312  -4.818
   68    HG3  ARG   9           1HG      ARG   9  -4.270   1.011  -3.966
   69    HD2  ARG   9           1HD      ARG   9  -3.259   3.798  -4.848
   70    HD3  ARG   9           2HD      ARG   9  -4.425   2.805  -5.727
   71   HH11  ARG   9          1HH1      ARG   9  -4.930   5.066  -6.002
   72   HH12  ARG   9          2HH1      ARG   9  -6.291   6.208  -5.544
   73   HH21  ARG   9          1HH2      ARG   9  -6.980   4.560  -2.599
   74   HH22  ARG   9          2HH2      ARG   9  -7.373   5.937  -3.745
   75    H    ILE  10           H        ILE  10  -2.523   1.794   0.199
   76    HA   ILE  10           HA       ILE  10   0.066   2.609   0.975
   77    HB   ILE  10           HB       ILE  10  -2.442   1.765   2.397
   78   HG12  ILE  10          1HG1      ILE  10  -1.148   4.539   2.148
   79   HG13  ILE  10          2HG1      ILE  10  -2.261   3.896   0.966
   80   HG21  ILE  10          1HG2      ILE  10  -0.119   2.889   3.986
   81   HG22  ILE  10          2HG2      ILE  10  -0.863   1.261   4.123
   82   HG23  ILE  10          3HG2      ILE  10  -1.813   2.680   4.554
   83   HD11  ILE  10          3HD1      ILE  10  -3.004   4.551   3.841
   84   HD12  ILE  10          1HD1      ILE  10  -3.610   5.274   2.312
   85   HD13  ILE  10          2HD1      ILE  10  -4.043   3.603   2.747
   86    H    GLY  11           H        GLY  11  -1.413  -0.493   1.570
   87    HA2  GLY  11           1HA      GLY  11   0.623  -1.830   3.064
   88    HA3  GLY  11           2HA      GLY  11  -0.526  -2.672   1.976
   89    H    LYS  12           H        LYS  12   0.570  -1.272  -0.351
   90    HA   LYS  12           HA       LYS  12   3.418  -2.146  -0.584
   91    HB2  LYS  12           1HB      LYS  12   1.818  -4.109  -1.309
   92    HB3  LYS  12           2HB      LYS  12   1.358  -3.120  -2.689
   93    HG2  LYS  12           2HG      LYS  12   3.771  -3.131  -3.472
   94    HG3  LYS  12           1HG      LYS  12   4.241  -4.040  -2.033
   95    HD2  LYS  12           2HD      LYS  12   2.752  -5.952  -2.765
   96    HD3  LYS  12           1HD      LYS  12   2.270  -5.031  -4.195
   97    HE2  LYS  12           1HE      LYS  12   4.692  -4.983  -4.982
   98    HE3  LYS  12           2HE      LYS  12   5.175  -5.905  -3.551
   99    HZ1  LYS  12           2HZ      LYS  12   4.865  -7.341  -5.424
  100    HZ3  LYS  12           1HZ      LYS  12   3.759  -7.711  -4.278
  101    H    ASP  13           H        ASP  13   2.528   0.364  -0.308
  102    HA   ASP  13           HA       ASP  13   3.870   1.631  -2.670
  103    HB2  ASP  13           1HB      ASP  13   1.265   2.101  -2.340
  104    HB3  ASP  13           2HB      ASP  13   1.784   3.015  -0.980
  105    HD2  ASP  13           HD2      ASP  13   2.323   4.384  -4.745
  106    H    VAL  14           H        VAL  14   3.046   2.041   0.755
  107    HA   VAL  14           HA       VAL  14   5.909   2.951   1.035
  108    HB   VAL  14           HB       VAL  14   5.542   4.331   2.890
  109   HG11  VAL  14          1HG1      VAL  14   3.734   5.146   0.544
  110   HG12  VAL  14          2HG1      VAL  14   5.506   5.258   0.588
  111   HG13  VAL  14          3HG1      VAL  14   4.526   6.262   1.704
  112   HG21  VAL  14          3HG2      VAL  14   2.492   3.875   2.517
  113   HG22  VAL  14          1HG2      VAL  14   3.458   3.306   3.895
  114   HG23  VAL  14          2HG2      VAL  14   3.220   5.055   3.651
  115    H    TYR  15           H        TYR  15   5.104   0.826   0.766
  116    HA   TYR  15           HA       TYR  15   6.584  -0.742   2.872
  117    HB2  TYR  15           1HB      TYR  15   4.203  -1.465   3.122
  118    HB3  TYR  15           2HB      TYR  15   4.126  -1.774   1.403
  119    HD1  TYR  15           HD1      TYR  15   5.897  -2.853   4.553
  120    HD2  TYR  15           HD2      TYR  15   4.971  -3.911   0.488
  121    HE1  TYR  15           HE1      TYR  15   6.905  -5.060   4.896
  122    HE2  TYR  15           HE2      TYR  15   5.984  -6.112   0.834
  123    HH   TYR  15           HH       TYR  15   7.033  -7.467   2.255
  124    H    ASP  16           H        ASP  16   5.618  -0.312  -0.531
  125    HA   ASP  16           HA       ASP  16   7.933  -2.001  -1.395
  126    HB2  ASP  16           2HB      ASP  16   5.689  -2.088  -2.699
  127    HB3  ASP  16           1HB      ASP  16   6.087  -0.469  -3.231
  128    HD2  ASP  16           HD2      ASP  16   7.673  -0.188  -4.606
  129    H    LYS  17           H        LYS  17   7.126   1.461  -1.093
  130    HA   LYS  17           HA       LYS  17   9.640   2.268  -2.378
  131    HB2  LYS  17           1HB      LYS  17   7.603   3.768  -2.222
  132    HB3  LYS  17           2HB      LYS  17   7.799   3.849  -0.482
  133    HG2  LYS  17           2HG      LYS  17   8.609   5.893  -1.443
  134    HG3  LYS  17           1HG      LYS  17   9.993   5.051  -0.768
  135    HD2  LYS  17           1HD      LYS  17  10.641   4.258  -3.092
  136    HD3  LYS  17           2HD      LYS  17   9.219   5.066  -3.764
  137    HE2  LYS  17           2HE      LYS  17  10.117   7.308  -2.953
  138    HE3  LYS  17           1HE      LYS  17  11.537   6.494  -2.280
  139    HZ1  LYS  17           2HZ      LYS  17  10.752   6.532  -5.142
  140    HZ3  LYS  17           1HZ      LYS  17  11.953   7.411  -4.464
  141    H    VAL  18           H        VAL  18   8.873   0.934   0.801
  142    HA   VAL  18           HA       VAL  18  11.282   2.066   2.067
  143    HB   VAL  18           HB       VAL  18  10.668   1.347   4.078
  144   HG11  VAL  18          1HG1      VAL  18   7.945   2.125   2.918
  145   HG12  VAL  18          2HG1      VAL  18   9.206   3.266   3.427
  146   HG13  VAL  18          3HG1      VAL  18   8.384   2.246   4.635
  147   HG21  VAL  18          3HG2      VAL  18  10.097  -0.919   4.046
  148   HG22  VAL  18          1HG2      VAL  18   8.711  -0.111   4.796
  149   HG23  VAL  18          2HG2      VAL  18   8.642  -0.628   3.090
  150    H    LYS  19           H        LYS  19   9.931  -1.067   1.412
  151    HA   LYS  19           HA       LYS  19  12.299  -2.636   1.866
  152    HB2  LYS  19           2HB      LYS  19   9.904  -3.455   1.592
  153    HB3  LYS  19           1HB      LYS  19  10.057  -3.275  -0.152
  154    HG2  LYS  19           2HG      LYS  19  11.870  -5.033  -0.158
  155    HG3  LYS  19           1HG      LYS  19  11.807  -5.124   1.604
  156    HD2  LYS  19           1HD      LYS  19   9.389  -5.859   1.479
  157    HD3  LYS  19           2HD      LYS  19   9.434  -5.792  -0.274
  158    HE2  LYS  19           2HE      LYS  19  11.216  -7.643   1.464
  159    HE3  LYS  19           1HE      LYS  19   9.680  -8.118   0.743
  160    HZ1  LYS  19           2HZ      LYS  19  12.085  -7.270  -0.767
  161    HZ3  LYS  19           1HZ      LYS  19  11.550  -8.805  -0.592
  162    H    GLU  20           H        GLU  20  11.904  -0.371  -0.627
  163    HA   GLU  20           HA       GLU  20  13.734  -1.650  -2.587
  164    HB2  GLU  20           2HB      GLU  20  11.598  -0.820  -3.454
  165    HB3  GLU  20           1HB      GLU  20  12.002   0.782  -2.875
  166    HG2  GLU  20           1HG      GLU  20  13.945   0.903  -4.477
  167    HG3  GLU  20           2HG      GLU  20  13.609  -0.740  -5.025
  168    HE2  GLU  20           HE2      GLU  20  10.919   0.106  -7.033
  169    HN1  NH2  21           2HN      NH2  21  13.505   1.724  -1.576
  170    HN2  NH2  21           1HN      NH2  21  14.356   1.054  -0.177
  Start of MODEL   26
    1    H1   ACE   1           3HA      ACE   1 -12.353  -4.612  -2.837
    2    H2   ACE   1           1HA      ACE   1 -14.034  -4.614  -2.251
    3    H3   ACE   1           2HA      ACE   1 -12.679  -4.500  -1.091
    4    H    GLU   1           H        GLU   1 -14.471  -2.630  -0.796
    5    HA   GLU   1           HA       GLU   1 -14.437  -0.299  -2.341
    6    HB2  GLU   1           1HB      GLU   1 -15.115  -0.703   0.633
    7    HB3  GLU   1           2HB      GLU   1 -15.515   0.738  -0.234
    8    HG2  GLU   1           1HG      GLU   1 -16.925  -0.274  -1.830
    9    HG3  GLU   1           2HG      GLU   1 -16.557  -1.908  -1.261
   10    HE2  GLU   1           HE2      GLU   1 -18.614  -1.789   1.532
   11    H    SER   2           H        SER   2 -14.173   1.752  -0.539
   12    HA   SER   2           HA       SER   2 -11.619   2.888  -1.052
   13    HB2  SER   2           2HB      SER   2 -13.744   4.084  -0.317
   14    HB3  SER   2           1HB      SER   2 -13.281   3.691   1.313
   15    HG   SER   2           HG       SER   2 -11.288   4.762   0.944
   16    H    ALA   3           H        ALA   3 -12.648   1.459   1.944
   17    HA   ALA   3           HA       ALA   3  -9.905   1.587   3.090
   18    HB1  ALA   3           3HB      ALA   3 -11.970   1.856   4.574
   19    HB2  ALA   3           1HB      ALA   3 -10.908   0.553   5.175
   20    HB3  ALA   3           2HB      ALA   3 -12.386   0.142   4.257
   21    H    LYS   4           H        LYS   4 -10.673  -0.160   0.977
   22    HA   LYS   4           HA       LYS   4  -8.579  -2.184   1.411
   23    HB2  LYS   4           2HB      LYS   4 -11.401  -2.907   0.318
   24    HB3  LYS   4           1HB      LYS   4 -10.036  -4.004   0.157
   25    HG2  LYS   4           1HG      LYS   4  -9.840  -4.179   2.669
   26    HG3  LYS   4           2HG      LYS   4 -11.254  -3.136   2.846
   27    HD2  LYS   4           2HD      LYS   4 -12.657  -4.792   1.553
   28    HD3  LYS   4           1HD      LYS   4 -11.250  -5.847   1.372
   29    HE2  LYS   4           2HE      LYS   4 -11.097  -6.077   3.903
   30    HE3  LYS   4           1HE      LYS   4 -12.506  -5.022   4.084
   31    HZ1  LYS   4           2HZ      LYS   4 -13.088  -7.354   4.164
   32    HZ3  LYS   4           1HZ      LYS   4 -12.464  -7.637   2.680
   33    H    HIS   5           H        HIS   5  -9.305   0.165  -0.221
   34    HA   HIS   5           HA       HIS   5  -7.642  -0.562  -2.625
   35    HB2  HIS   5           1HB      HIS   5 -10.032   0.134  -3.243
   36    HB3  HIS   5           2HB      HIS   5  -9.760   1.696  -2.479
   37    HD2  HIS   5           HD2      HIS   5  -7.603  -0.457  -5.019
   38    HE1  HIS   5           HE1      HIS   5  -7.826   3.396  -6.573
   39    HE2  HIS   5           HE2      HIS   5  -6.812   1.078  -7.036
   40    H    MET   6           H        MET   6  -8.188   1.897  -0.063
   41    HA   MET   6           HA       MET   6  -5.691   3.331  -0.770
   42    HB2  MET   6           1HB      MET   6  -7.317   3.789   1.817
   43    HB3  MET   6           2HB      MET   6  -6.132   4.849   1.076
   44    HG2  MET   6           2HG      MET   6  -8.045   4.672  -0.962
   45    HG3  MET   6           1HG      MET   6  -9.065   4.506   0.452
   46    HE1  MET   6           3HE      MET   6  -8.159   6.240   2.798
   47    HE2  MET   6           1HE      MET   6  -9.770   6.438   2.040
   48    HE3  MET   6           2HE      MET   6  -8.753   7.872   2.373
   49    H    PHE   7           H        PHE   7  -6.973   1.046   1.674
   50    HA   PHE   7           HA       PHE   7  -4.426   0.751   3.107
   51    HB2  PHE   7           1HB      PHE   7  -7.117  -0.613   3.035
   52    HB3  PHE   7           2HB      PHE   7  -5.866  -1.588   3.693
   53    HD1  PHE   7           HD1      PHE   7  -4.694  -0.846   5.840
   54    HD2  PHE   7           HD2      PHE   7  -7.988   1.392   4.210
   55    HE1  PHE   7           HE1      PHE   7  -4.953   0.329   7.964
   56    HE2  PHE   7           HE2      PHE   7  -8.250   2.559   6.330
   57    HZ   PHE   7           HZ       PHE   7  -6.737   2.044   8.245
   58    H    ASP   8           H        ASP   8  -6.022  -0.981   0.487
   59    HA   ASP   8           HA       ASP   8  -4.112  -3.099   0.039
   60    HB2  ASP   8           1HB      ASP   8  -6.329  -2.779  -1.111
   61    HB3  ASP   8           2HB      ASP   8  -5.611  -1.643  -2.214
   62    HD2  ASP   8           HD2      ASP   8  -5.007  -5.632  -2.525
   63    H    ARG   9           H        ARG   9  -4.247   0.147  -1.448
   64    HA   ARG   9           HA       ARG   9  -1.673   0.092  -2.827
   65    HB2  ARG   9           2HB      ARG   9  -3.408   2.471  -1.906
   66    HB3  ARG   9           1HB      ARG   9  -1.895   2.715  -2.757
   67    HG2  ARG   9           2HG      ARG   9  -2.683   1.692  -4.805
   68    HG3  ARG   9           1HG      ARG   9  -4.067   0.960  -4.021
   69    HD2  ARG   9           1HD      ARG   9  -4.838   2.808  -5.372
   70    HD3  ARG   9           2HD      ARG   9  -5.186   3.149  -3.697
   71   HH11  ARG   9          2HH1      ARG   9  -4.862   4.540  -2.369
   72   HH12  ARG   9          1HH1      ARG   9  -4.265   6.241  -2.026
   73   HH21  ARG   9          1HH2      ARG   9  -2.438   6.431  -4.937
   74   HH22  ARG   9          2HH2      ARG   9  -2.986   7.236  -3.382
   75    H    ILE  10           H        ILE  10  -2.538   1.805   0.237
   76    HA   ILE  10           HA       ILE  10   0.038   2.624   1.055
   77    HB   ILE  10           HB       ILE  10  -2.488   1.766   2.435
   78   HG12  ILE  10          2HG1      ILE  10  -1.197   4.543   2.219
   79   HG13  ILE  10          1HG1      ILE  10  -2.289   3.903   1.015
   80   HG21  ILE  10          1HG2      ILE  10  -1.891   2.673   4.605
   81   HG22  ILE  10          2HG2      ILE  10  -0.930   1.258   4.180
   82   HG23  ILE  10          3HG2      ILE  10  -0.191   2.890   4.061
   83   HD11  ILE  10          3HD1      ILE  10  -4.100   3.603   2.764
   84   HD12  ILE  10          1HD1      ILE  10  -3.079   4.541   3.883
   85   HD13  ILE  10          2HD1      ILE  10  -3.659   5.277   2.351
   86    H    GLY  11           H        GLY  11  -1.433  -0.485   1.612
   87    HA2  GLY  11           2HA      GLY  11   0.595  -1.811   3.125
   88    HA3  GLY  11           1HA      GLY  11  -0.539  -2.661   2.026
   89    H    LYS  12           H        LYS  12   0.553  -1.273  -0.308
   90    HA   LYS  12           HA       LYS  12   3.410  -2.160  -0.534
   91    HB2  LYS  12           2HB      LYS  12   1.242  -3.128  -2.540
   92    HB3  LYS  12           1HB      LYS  12   2.972  -3.276  -2.809
   93    HG2  LYS  12           2HG      LYS  12   3.179  -4.731  -0.741
   94    HG3  LYS  12           1HG      LYS  12   1.424  -4.692  -0.565
   95    HD2  LYS  12           2HD      LYS  12   1.158  -5.718  -2.849
   96    HD3  LYS  12           1HD      LYS  12   2.901  -5.766  -3.063
   97    HE2  LYS  12           1HE      LYS  12   1.363  -7.269  -0.829
   98    HE3  LYS  12           2HE      LYS  12   1.837  -7.975  -2.372
   99    HZ1  LYS  12           2HZ      LYS  12   3.738  -6.888  -0.374
  100    HZ3  LYS  12           1HZ      LYS  12   4.158  -7.546  -1.810
  101    H    ASP  13           H        ASP  13   2.512   0.371  -0.216
  102    HA   ASP  13           HA       ASP  13   3.848   1.647  -2.585
  103    HB2  ASP  13           1HB      ASP  13   1.268   2.148  -2.233
  104    HB3  ASP  13           2HB      ASP  13   1.796   3.031  -0.853
  105    HD2  ASP  13           HD2      ASP  13   2.388   4.459  -4.593
  106    H    VAL  14           H        VAL  14   3.081   2.049   0.854
  107    HA   VAL  14           HA       VAL  14   5.967   2.906   1.089
  108    HB   VAL  14           HB       VAL  14   5.656   4.266   2.971
  109   HG11  VAL  14          3HG2      VAL  14   4.660   6.228   1.815
  110   HG12  VAL  14          1HG2      VAL  14   3.843   5.137   0.649
  111   HG13  VAL  14          2HG2      VAL  14   5.617   5.219   0.684
  112   HG21  VAL  14          1HG1      VAL  14   3.569   3.267   3.990
  113   HG22  VAL  14          2HG1      VAL  14   2.595   3.873   2.634
  114   HG23  VAL  14          3HG1      VAL  14   3.361   5.024   3.772
  115    H    TYR  15           H        TYR  15   5.144   0.796   0.812
  116    HA   TYR  15           HA       TYR  15   6.643  -0.811   2.877
  117    HB2  TYR  15           1HB      TYR  15   4.242  -1.484   3.128
  118    HB3  TYR  15           2HB      TYR  15   4.168  -1.789   1.409
  119    HD1  TYR  15           HD2      TYR  15   5.870  -2.907   4.573
  120    HD2  TYR  15           HD1      TYR  15   5.022  -3.926   0.485
  121    HE1  TYR  15           HE2      TYR  15   6.777  -5.151   4.946
  122    HE2  TYR  15           HE1      TYR  15   5.921  -6.170   0.859
  123    HH   TYR  15           HH       TYR  15   6.862  -7.574   2.315
  124    H    ASP  16           H        ASP  16   5.634  -0.349  -0.509
  125    HA   ASP  16           HA       ASP  16   7.935  -2.032  -1.411
  126    HB2  ASP  16           2HB      ASP  16   5.685  -2.124  -2.697
  127    HB3  ASP  16           1HB      ASP  16   6.046  -0.481  -3.185
  128    HD2  ASP  16           HD2      ASP  16   7.068  -3.704  -3.276
  129    H    LYS  17           H        LYS  17   7.129   1.422  -1.069
  130    HA   LYS  17           HA       LYS  17   9.611   2.289  -2.369
  131    HB2  LYS  17           2HB      LYS  17   7.522   3.702  -2.107
  132    HB3  LYS  17           1HB      LYS  17   7.810   3.801  -0.372
  133    HG2  LYS  17           2HG      LYS  17  10.038   4.965  -0.900
  134    HG3  LYS  17           1HG      LYS  17   9.635   4.917  -2.608
  135    HD2  LYS  17           2HD      LYS  17   8.003   6.380  -0.411
  136    HD3  LYS  17           1HD      LYS  17   9.215   7.105  -1.436
  137    HE2  LYS  17           2HE      LYS  17   7.235   7.783  -2.474
  138    HE3  LYS  17           1HE      LYS  17   7.780   6.469  -3.511
  139    HZ1  LYS  17           2HZ      LYS  17   5.715   6.253  -1.378
  140    HZ3  LYS  17           1HZ      LYS  17   6.199   5.014  -2.328
  141    H    VAL  18           H        VAL  18   8.910   0.879   0.798
  142    HA   VAL  18           HA       VAL  18  11.316   2.024   2.059
  143    HB   VAL  18           HB       VAL  18  10.749   1.244   4.061
  144   HG11  VAL  18          3HG2      VAL  18   9.282   3.179   3.480
  145   HG12  VAL  18          1HG2      VAL  18   8.473   2.132   4.674
  146   HG13  VAL  18          2HG2      VAL  18   8.011   2.053   2.962
  147   HG21  VAL  18          1HG1      VAL  18  10.180  -1.020   3.988
  148   HG22  VAL  18          2HG1      VAL  18   8.813  -0.227   4.789
  149   HG23  VAL  18          3HG1      VAL  18   8.702  -0.707   3.075
  150    H    LYS  19           H        LYS  19   9.987  -1.115   1.358
  151    HA   LYS  19           HA       LYS  19  12.377  -2.662   1.747
  152    HB2  LYS  19           1HB      LYS  19  10.017  -3.561   1.455
  153    HB3  LYS  19           2HB      LYS  19  10.118  -3.243  -0.265
  154    HG2  LYS  19           2HG      LYS  19  10.424  -5.588   0.114
  155    HG3  LYS  19           1HG      LYS  19  11.949  -4.963  -0.484
  156    HD2  LYS  19           1HD      LYS  19  12.875  -4.943   1.864
  157    HD3  LYS  19           2HD      LYS  19  11.342  -5.505   2.511
  158    HE2  LYS  19           1HE      LYS  19  13.088  -7.096   0.499
  159    HE3  LYS  19           2HE      LYS  19  13.155  -7.288   2.249
  160    HZ1  LYS  19           2HZ      LYS  19  10.772  -7.807   0.565
  161    HZ3  LYS  19           1HZ      LYS  19  11.755  -8.938   1.218
  162    H    GLU  20           H        GLU  20  11.924  -0.346  -0.696
  163    HA   GLU  20           HA       GLU  20  13.769  -1.544  -2.691
  164    HB2  GLU  20           2HB      GLU  20  11.611  -0.731  -3.529
  165    HB3  GLU  20           1HB      GLU  20  11.994   0.864  -2.917
  166    HG2  GLU  20           2HG      GLU  20  13.930   1.048  -4.530
  167    HG3  GLU  20           1HG      GLU  20  13.608  -0.588  -5.107
  168    HE2  GLU  20           HE2      GLU  20  12.494   2.589  -4.890
  169    HN1  NH2  21           2HN      NH2  21  14.351   1.113  -0.221
  170    HN2  NH2  21           1HN      NH2  21  13.481   1.801  -1.599
  Start of MODEL   27
    1    H1   ACE   1           3HA      ACE   1 -13.899  -4.229   1.030
    2    H2   ACE   1           1HA      ACE   1 -13.533  -4.407  -0.704
    3    H3   ACE   1           2HA      ACE   1 -15.202  -4.045  -0.168
    4    H    GLU   1           H        GLU   1 -15.012  -2.211  -1.611
    5    HA   GLU   1           HA       GLU   1 -14.345  -0.115  -2.527
    6    HB2  GLU   1           2HB      GLU   1 -15.561  -0.064   0.282
    7    HB3  GLU   1           1HB      GLU   1 -15.576   1.300  -0.814
    8    HG2  GLU   1           2HG      GLU   1 -17.689   0.525  -1.110
    9    HG3  GLU   1           1HG      GLU   1 -16.840  -0.012  -2.547
   10    HE2  GLU   1           HE2      GLU   1 -18.204  -2.645   0.262
   11    H    SER   2           H        SER   2 -14.051   2.075  -0.717
   12    HA   SER   2           HA       SER   2 -11.415   2.961  -1.130
   13    HB2  SER   2           1HB      SER   2 -13.498   4.242  -0.306
   14    HB3  SER   2           2HB      SER   2 -13.003   3.767   1.289
   15    HG   SER   2           HG       SER   2 -12.162   5.782   0.680
   16    H    ALA   3           H        ALA   3 -12.576   1.332   1.699
   17    HA   ALA   3           HA       ALA   3  -9.874   1.332   2.954
   18    HB1  ALA   3           3HB      ALA   3 -12.401  -0.186   3.922
   19    HB2  ALA   3           1HB      ALA   3 -11.991   1.495   4.389
   20    HB3  ALA   3           2HB      ALA   3 -10.954   0.144   4.920
   21    H    LYS   4           H        LYS   4 -10.589  -0.265   0.706
   22    HA   LYS   4           HA       LYS   4  -8.466  -2.266   1.037
   23    HB2  LYS   4           1HB      LYS   4 -11.184  -3.103  -0.176
   24    HB3  LYS   4           2HB      LYS   4  -9.763  -4.116  -0.241
   25    HG2  LYS   4           2HG      LYS   4 -11.225  -3.359   2.361
   26    HG3  LYS   4           1HG      LYS   4 -11.428  -4.855   1.468
   27    HD2  LYS   4           2HD      LYS   4  -9.009  -5.454   1.825
   28    HD3  LYS   4           1HD      LYS   4  -8.756  -3.951   2.718
   29    HE2  LYS   4           1HE      LYS   4 -10.469  -4.679   4.448
   30    HE3  LYS   4           2HE      LYS   4 -10.726  -6.188   3.559
   31    HZ1  LYS   4           2HZ      LYS   4  -8.134  -5.311   4.710
   32    HZ3  LYS   4           1HZ      LYS   4  -8.371  -6.704   3.888
   33    H    HIS   5           H        HIS   5  -9.282   0.124  -0.457
   34    HA   HIS   5           HA       HIS   5  -7.604  -0.405  -2.906
   35    HB2  HIS   5           2HB      HIS   5  -9.705   1.848  -2.547
   36    HB3  HIS   5           1HB      HIS   5  -8.652   1.701  -3.940
   37    HD2  HIS   5           HD2      HIS   5  -9.208  -1.692  -4.205
   38    HE1  HIS   5           HE1      HIS   5 -12.992  -0.352  -5.296
   39    HE2  HIS   5           HE2      HIS   5 -11.465  -2.420  -5.390
   40    H    MET   6           H        MET   6  -8.123   1.881  -0.172
   41    HA   MET   6           HA       MET   6  -5.613   3.325  -0.808
   42    HB2  MET   6           2HB      MET   6  -7.281   3.602   1.788
   43    HB3  MET   6           1HB      MET   6  -6.044   4.691   1.186
   44    HG2  MET   6           2HG      MET   6  -7.909   4.698  -0.929
   45    HG3  MET   6           1HG      MET   6  -8.950   4.503   0.471
   46    HE1  MET   6           3HE      MET   6  -8.956   8.459  -0.435
   47    HE2  MET   6           1HE      MET   6  -9.987   7.005  -0.315
   48    HE3  MET   6           2HE      MET   6  -8.734   7.113  -1.591
   49    H    PHE   7           H        PHE   7  -6.903   0.939   1.534
   50    HA   PHE   7           HA       PHE   7  -4.348   0.518   2.903
   51    HB2  PHE   7           1HB      PHE   7  -7.048  -0.829   2.760
   52    HB3  PHE   7           2HB      PHE   7  -5.796  -1.830   3.385
   53    HD1  PHE   7           HD1      PHE   7  -4.629  -1.166   5.563
   54    HD2  PHE   7           HD2      PHE   7  -7.937   1.112   4.018
   55    HE1  PHE   7           HE1      PHE   7  -4.898  -0.077   7.730
   56    HE2  PHE   7           HE2      PHE   7  -8.210   2.193   6.182
   57    HZ   PHE   7           HZ       PHE   7  -6.695   1.612   8.077
   58    H    ASP   8           H        ASP   8  -5.967  -1.032   0.182
   59    HA   ASP   8           HA       ASP   8  -4.077  -3.144  -0.385
   60    HB2  ASP   8           2HB      ASP   8  -6.278  -2.757  -1.514
   61    HB3  ASP   8           1HB      ASP   8  -5.571  -1.551  -2.548
   62    HD2  ASP   8           HD2      ASP   8  -4.959  -5.513  -3.106
   63    H    ARG   9           H        ARG   9  -4.186   0.181  -1.701
   64    HA   ARG   9           HA       ARG   9  -1.596   0.147  -3.057
   65    HB2  ARG   9           2HB      ARG   9  -3.268   2.548  -2.082
   66    HB3  ARG   9           1HB      ARG   9  -1.736   2.748  -2.917
   67    HG2  ARG   9           2HG      ARG   9  -2.593   1.609  -4.961
   68    HG3  ARG   9           1HG      ARG   9  -4.098   1.217  -4.155
   69    HD2  ARG   9           1HD      ARG   9  -4.571   3.080  -5.568
   70    HD3  ARG   9           2HD      ARG   9  -4.664   3.682  -3.930
   71   HH11  ARG   9          1HH2      ARG   9  -3.829   5.068  -2.804
   72   HH12  ARG   9          2HH2      ARG   9  -2.784   6.574  -2.728
   73   HH21  ARG   9          2HH1      ARG   9  -1.322   5.988  -5.789
   74   HH22  ARG   9          1HH1      ARG   9  -1.462   7.057  -4.304
   75    H    ILE  10           H        ILE  10  -2.463   1.717   0.083
   76    HA   ILE  10           HA       ILE  10   0.117   2.475   0.946
   77    HB   ILE  10           HB       ILE  10  -2.414   1.561   2.280
   78   HG12  ILE  10          1HG1      ILE  10  -1.111   4.341   2.205
   79   HG13  ILE  10          2HG1      ILE  10  -2.208   3.768   0.973
   80   HG21  ILE  10          1HG2      ILE  10  -0.858   0.957   3.996
   81   HG22  ILE  10          2HG2      ILE  10  -0.108   2.587   3.957
   82   HG23  ILE  10          3HG2      ILE  10  -1.808   2.355   4.494
   83   HD11  ILE  10          3HD1      ILE  10  -4.018   3.385   2.701
   84   HD12  ILE  10          1HD1      ILE  10  -2.994   4.259   3.868
   85   HD13  ILE  10          2HD1      ILE  10  -3.569   5.076   2.376
   86    H    GLY  11           H        GLY  11  -1.374  -0.649   1.334
   87    HA2  GLY  11           1HA      GLY  11   0.629  -2.075   2.788
   88    HA3  GLY  11           2HA      GLY  11  -0.493  -2.853   1.628
   89    H    LYS  12           H        LYS  12   0.616  -1.352  -0.615
   90    HA   LYS  12           HA       LYS  12   3.480  -2.206  -0.864
   91    HB2  LYS  12           1HB      LYS  12   1.336  -3.082  -2.939
   92    HB3  LYS  12           2HB      LYS  12   3.069  -3.218  -3.193
   93    HG2  LYS  12           2HG      LYS  12   3.257  -4.799  -1.227
   94    HG3  LYS  12           1HG      LYS  12   1.504  -4.738  -1.031
   95    HD2  LYS  12           2HD      LYS  12   1.213  -5.638  -3.397
   96    HD3  LYS  12           1HD      LYS  12   2.959  -5.680  -3.578
   97    HE2  LYS  12           1HE      LYS  12   2.295  -7.930  -3.089
   98    HE3  LYS  12           2HE      LYS  12   3.122  -7.347  -1.647
   99    HZ1  LYS  12           2HZ      LYS  12   0.958  -6.954  -0.631
  100    HZ3  LYS  12           1HZ      LYS  12   1.122  -8.517  -1.082
  101    H    ASP  13           H        ASP  13   2.587   0.288  -0.427
  102    HA   ASP  13           HA       ASP  13   3.937   1.691  -2.710
  103    HB2  ASP  13           1HB      ASP  13   1.339   2.144  -2.375
  104    HB3  ASP  13           2HB      ASP  13   1.841   2.972  -0.953
  105    HD2  ASP  13           HD2      ASP  13   2.407   4.581  -4.616
  106    H    VAL  14           H        VAL  14   3.090   1.905   0.728
  107    HA   VAL  14           HA       VAL  14   5.955   2.784   1.075
  108    HB   VAL  14           HB       VAL  14   5.588   4.037   3.009
  109   HG11  VAL  14          3HG2      VAL  14   5.582   5.109   0.773
  110   HG12  VAL  14          1HG2      VAL  14   3.809   5.013   0.703
  111   HG13  VAL  14          2HG2      VAL  14   4.596   6.049   1.938
  112   HG21  VAL  14          1HG1      VAL  14   3.261   4.739   3.790
  113   HG22  VAL  14          2HG1      VAL  14   3.486   2.978   3.938
  114   HG23  VAL  14          3HG1      VAL  14   2.538   3.628   2.584
  115    H    TYR  15           H        TYR  15   5.192   0.691   0.666
  116    HA   TYR  15           HA       TYR  15   6.681  -1.013   2.669
  117    HB2  TYR  15           1HB      TYR  15   4.279  -1.719   2.842
  118    HB3  TYR  15           2HB      TYR  15   4.222  -1.917   1.107
  119    HD1  TYR  15           HD2      TYR  15   5.890  -3.218   4.213
  120    HD2  TYR  15           HD1      TYR  15   5.114  -3.984   0.056
  121    HE1  TYR  15           HE2      TYR  15   6.796  -5.479   4.464
  122    HE2  TYR  15           HE1      TYR  15   6.016  -6.244   0.306
  123    HH   TYR  15           HH       TYR  15   7.260  -7.414   3.447
  124    H    ASP  16           H        ASP  16   5.660  -0.357  -0.709
  125    HA   ASP  16           HA       ASP  16   7.884  -2.001  -1.805
  126    HB2  ASP  16           2HB      ASP  16   5.692  -1.844  -3.086
  127    HB3  ASP  16           1HB      ASP  16   6.058  -0.147  -3.325
  128    HD2  ASP  16           HD2      ASP  16   7.951  -3.056  -5.422
  129    H    LYS  17           H        LYS  17   7.199   1.469  -1.178
  130    HA   LYS  17           HA       LYS  17   9.845   2.297  -2.249
  131    HB2  LYS  17           2HB      LYS  17   7.772   3.881  -0.627
  132    HB3  LYS  17           1HB      LYS  17   9.288   4.555  -1.165
  133    HG2  LYS  17           2HG      LYS  17   7.068   3.521  -3.026
  134    HG3  LYS  17           1HG      LYS  17   7.340   5.194  -2.603
  135    HD2  LYS  17           2HD      LYS  17   9.306   3.429  -4.203
  136    HD3  LYS  17           1HD      LYS  17   8.157   4.571  -4.878
  137    HE2  LYS  17           1HE      LYS  17   9.332   6.482  -3.642
  138    HE3  LYS  17           2HE      LYS  17  10.538   5.328  -3.052
  139    HZ1  LYS  17           2HZ      LYS  17   9.967   5.940  -5.899
  140    HZ3  LYS  17           1HZ      LYS  17  11.255   6.469  -5.042
  141    H    VAL  18           H        VAL  18   8.806   0.731   0.488
  142    HA   VAL  18           HA       VAL  18  10.762   1.856   2.434
  143    HB   VAL  18           HB       VAL  18   8.418   0.056   2.966
  144   HG11  VAL  18          1HG1      VAL  18  10.541   0.534   5.038
  145   HG12  VAL  18          2HG1      VAL  18   8.913  -0.191   5.290
  146   HG13  VAL  18          3HG1      VAL  18  10.088  -1.018   4.260
  147   HG21  VAL  18          3HG2      VAL  18   9.162   2.751   4.212
  148   HG22  VAL  18          1HG2      VAL  18   7.697   1.790   4.555
  149   HG23  VAL  18          2HG2      VAL  18   7.929   2.493   2.946
  150    H    LYS  19           H        LYS  19   9.876  -1.277   1.029
  151    HA   LYS  19           HA       LYS  19  12.295  -2.653   1.830
  152    HB2  LYS  19           2HB      LYS  19  10.099  -3.698   1.064
  153    HB3  LYS  19           1HB      LYS  19  10.457  -3.202  -0.579
  154    HG2  LYS  19           1HG      LYS  19  10.907  -5.553  -0.344
  155    HG3  LYS  19           2HG      LYS  19  12.440  -4.751  -0.630
  156    HD2  LYS  19           2HD      LYS  19  12.971  -4.888   1.849
  157    HD3  LYS  19           1HD      LYS  19  11.404  -5.651   2.143
  158    HE2  LYS  19           1HE      LYS  19  12.079  -7.600   0.648
  159    HE3  LYS  19           2HE      LYS  19  13.646  -6.831   0.356
  160    HZ1  LYS  19           2HZ      LYS  19  14.067  -6.936   2.750
  161    HZ3  LYS  19           1HZ      LYS  19  12.620  -7.646   3.020
  162    H    GLU  20           H        GLU  20  12.053  -0.115  -0.395
  163    HA   GLU  20           HA       GLU  20  14.148  -0.992  -2.296
  164    HB2  GLU  20           2HB      GLU  20  12.062  -0.027  -3.233
  165    HB3  GLU  20           1HB      GLU  20  12.395   1.438  -2.331
  166    HG2  GLU  20           1HG      GLU  20  14.519   1.790  -3.694
  167    HG3  GLU  20           2HG      GLU  20  14.151   0.322  -4.602
  168    HE2  GLU  20           HE2      GLU  20  12.231   3.808  -5.283
  169    HN1  NH2  21           2HN      NH2  21  13.682   2.143  -0.733
  170    HN2  NH2  21           1HN      NH2  21  14.384   1.232   0.609
  Start of MODEL   28
    1    H1   ACE   1           3HA      ACE   1 -12.263  -2.986  -3.949
    2    H2   ACE   1           1HA      ACE   1 -12.967  -1.394  -3.608
    3    H3   ACE   1           2HA      ACE   1 -11.376  -1.839  -2.923
    4    H    GLU   1           H        GLU   1 -14.365  -2.685  -0.456
    5    HA   GLU   1           HA       GLU   1 -14.436  -0.457  -2.155
    6    HB2  GLU   1           1HB      GLU   1 -15.090  -0.650   0.837
    7    HB3  GLU   1           2HB      GLU   1 -15.546   0.658  -0.202
    8    HG2  GLU   1           1HG      GLU   1 -17.487  -0.491  -0.127
    9    HG3  GLU   1           2HG      GLU   1 -16.842  -0.847  -1.717
   10    HE2  GLU   1           HE2      GLU   1 -17.119  -1.974   1.495
   11    H    SER   2           H        SER   2 -14.174   1.746  -0.411
   12    HA   SER   2           HA       SER   2 -11.645   2.861  -1.008
   13    HB2  SER   2           1HB      SER   2 -13.771   4.057  -0.252
   14    HB3  SER   2           2HB      SER   2 -13.252   3.722   1.376
   15    HG   SER   2           HG       SER   2 -12.542   5.744   0.630
   16    H    ALA   3           H        ALA   3 -12.588   1.512   2.048
   17    HA   ALA   3           HA       ALA   3  -9.819   1.682   3.123
   18    HB1  ALA   3           3HB      ALA   3 -12.266   0.258   4.380
   19    HB2  ALA   3           1HB      ALA   3 -11.847   1.981   4.641
   20    HB3  ALA   3           2HB      ALA   3 -10.768   0.697   5.252
   21    H    LYS   4           H        LYS   4 -10.595  -0.100   1.061
   22    HA   LYS   4           HA       LYS   4  -8.480  -2.090   1.487
   23    HB2  LYS   4           2HB      LYS   4 -10.907  -3.104   2.014
   24    HB3  LYS   4           1HB      LYS   4 -11.180  -3.013   0.278
   25    HG2  LYS   4           1HG      LYS   4  -9.212  -4.628  -0.060
   26    HG3  LYS   4           2HG      LYS   4  -8.969  -4.663   1.686
   27    HD2  LYS   4           2HD      LYS   4 -11.307  -5.605   1.983
   28    HD3  LYS   4           1HD      LYS   4 -11.546  -5.559   0.232
   29    HE2  LYS   4           2HE      LYS   4  -9.604  -7.177  -0.075
   30    HE3  LYS   4           1HE      LYS   4  -9.365  -7.222   1.678
   31    HZ1  LYS   4           2HZ      LYS   4 -10.681  -9.067   0.951
   32    HZ3  LYS   4           1HZ      LYS   4 -11.587  -8.115   1.924
   33    H    HIS   5           H        HIS   5  -9.271   0.201  -0.161
   34    HA   HIS   5           HA       HIS   5  -7.679  -0.529  -2.607
   35    HB2  HIS   5           2HB      HIS   5 -10.104   0.168  -3.119
   36    HB3  HIS   5           1HB      HIS   5  -9.789   1.736  -2.387
   37    HD2  HIS   5           HD2      HIS   5  -7.959  -0.509  -5.101
   38    HE1  HIS   5           HE1      HIS   5  -8.025   3.379  -6.579
   39    HE2  HIS   5           HE2      HIS   5  -7.249   0.998  -7.168
   40    H    MET   6           H        MET   6  -8.155   1.959  -0.057
   41    HA   MET   6           HA       MET   6  -5.658   3.362  -0.827
   42    HB2  MET   6           1HB      MET   6  -7.241   3.856   1.785
   43    HB3  MET   6           2HB      MET   6  -6.060   4.902   1.017
   44    HG2  MET   6           1HG      MET   6  -8.013   4.719  -0.990
   45    HG3  MET   6           2HG      MET   6  -9.000   4.582   0.459
   46    HE1  MET   6           3HE      MET   6 -10.212   6.946  -0.271
   47    HE2  MET   6           1HE      MET   6  -9.288   8.445  -0.581
   48    HE3  MET   6           2HE      MET   6  -9.113   7.047  -1.682
   49    H    PHE   7           H        PHE   7  -6.911   1.148   1.701
   50    HA   PHE   7           HA       PHE   7  -4.331   0.836   3.059
   51    HB2  PHE   7           1HB      PHE   7  -7.033  -0.516   3.076
   52    HB3  PHE   7           2HB      PHE   7  -5.768  -1.465   3.748
   53    HD1  PHE   7           HD1      PHE   7  -7.901   1.513   4.205
   54    HD2  PHE   7           HD2      PHE   7  -4.553  -0.636   5.844
   55    HE1  PHE   7           HE1      PHE   7  -8.133   2.751   6.288
   56    HE2  PHE   7           HE2      PHE   7  -4.780   0.610   7.930
   57    HZ   PHE   7           HZ       PHE   7  -6.576   2.317   8.188
   58    H    ASP   8           H        ASP   8  -6.014  -0.919   0.503
   59    HA   ASP   8           HA       ASP   8  -4.149  -3.075   0.059
   60    HB2  ASP   8           1HB      ASP   8  -6.384  -2.741  -1.046
   61    HB3  ASP   8           2HB      ASP   8  -5.677  -1.640  -2.192
   62    HD2  ASP   8           HD2      ASP   8  -4.308  -2.388  -3.632
   63    H    ARG   9           H        ARG   9  -4.263   0.146  -1.495
   64    HA   ARG   9           HA       ARG   9  -1.705  -0.019  -2.903
   65    HB2  ARG   9           1HB      ARG   9  -3.390   2.440  -2.120
   66    HB3  ARG   9           2HB      ARG   9  -1.850   2.600  -2.949
   67    HG2  ARG   9           1HG      ARG   9  -2.633   1.284  -4.887
   68    HG3  ARG   9           2HG      ARG   9  -4.182   0.952  -4.112
   69    HD2  ARG   9           1HD      ARG   9  -4.804   3.365  -4.145
   70    HD3  ARG   9           2HD      ARG   9  -3.198   3.811  -4.751
   71   HH11  ARG   9          2HH2      ARG   9  -4.759   5.282  -5.626
   72   HH12  ARG   9          1HH2      ARG   9  -5.421   5.705  -7.283
   73   HH21  ARG   9          2HH1      ARG   9  -5.150   2.480  -8.463
   74   HH22  ARG   9          1HH1      ARG   9  -5.627   4.224  -8.780
   75    H    ILE  10           H        ILE  10  -2.500   1.804   0.121
   76    HA   ILE  10           HA       ILE  10   0.102   2.606   0.868
   77    HB   ILE  10           HB       ILE  10  -2.404   1.816   2.322
   78   HG12  ILE  10          1HG1      ILE  10  -1.087   4.572   2.006
   79   HG13  ILE  10          2HG1      ILE  10  -2.213   3.915   0.845
   80   HG21  ILE  10          1HG2      ILE  10  -0.057   2.950   3.868
   81   HG22  ILE  10          2HG2      ILE  10  -0.816   1.334   4.047
   82   HG23  ILE  10          3HG2      ILE  10  -1.748   2.773   4.455
   83   HD11  ILE  10          3HD1      ILE  10  -2.933   4.634   3.710
   84   HD12  ILE  10          1HD1      ILE  10  -3.987   3.678   2.638
   85   HD13  ILE  10          2HD1      ILE  10  -3.538   5.336   2.171
   86    H    GLY  11           H        GLY  11  -1.397  -0.467   1.529
   87    HA2  GLY  11           2HA      GLY  11   0.629  -1.790   3.048
   88    HA3  GLY  11           1HA      GLY  11  -0.524  -2.648   1.979
   89    H    LYS  12           H        LYS  12   0.547  -1.335  -0.398
   90    HA   LYS  12           HA       LYS  12   3.397  -2.235  -0.642
   91    HB2  LYS  12           1HB      LYS  12   1.199  -3.241  -2.598
   92    HB3  LYS  12           2HB      LYS  12   2.924  -3.416  -2.877
   93    HG2  LYS  12           1HG      LYS  12   3.140  -4.846  -0.802
   94    HG3  LYS  12           2HG      LYS  12   1.392  -4.750  -0.574
   95    HD2  LYS  12           2HD      LYS  12   1.040  -5.823  -2.858
   96    HD3  LYS  12           1HD      LYS  12   2.782  -5.899  -3.072
   97    HE2  LYS  12           1HE      LYS  12   2.105  -8.098  -2.399
   98    HE3  LYS  12           2HE      LYS  12   2.969  -7.417  -1.024
   99    HZ1  LYS  12           2HZ      LYS  12   0.971  -8.517  -0.329
  100    HZ3  LYS  12           1HZ      LYS  12   0.832  -6.922   0.006
  101    H    ASP  13           H        ASP  13   2.528   0.299  -0.381
  102    HA   ASP  13           HA       ASP  13   3.841   1.506  -2.793
  103    HB2  ASP  13           2HB      ASP  13   1.258   2.010  -2.440
  104    HB3  ASP  13           1HB      ASP  13   1.795   2.942  -1.096
  105    HD2  ASP  13           HD2      ASP  13   1.838   2.594  -4.433
  106    H    VAL  14           H        VAL  14   3.077   1.995   0.634
  107    HA   VAL  14           HA       VAL  14   5.956   2.870   0.849
  108    HB   VAL  14           HB       VAL  14   5.641   4.276   2.687
  109   HG11  VAL  14          1HG1      VAL  14   3.825   5.083   0.345
  110   HG12  VAL  14          2HG1      VAL  14   4.645   6.206   1.478
  111   HG13  VAL  14          3HG1      VAL  14   5.599   5.166   0.373
  112   HG21  VAL  14          3HG2      VAL  14   2.580   3.868   2.354
  113   HG22  VAL  14          1HG2      VAL  14   3.548   3.313   3.735
  114   HG23  VAL  14          2HG2      VAL  14   3.337   5.061   3.456
  115    H    TYR  15           H        TYR  15   5.160   0.756   0.625
  116    HA   TYR  15           HA       TYR  15   6.672  -0.801   2.729
  117    HB2  TYR  15           1HB      TYR  15   4.273  -1.473   3.001
  118    HB3  TYR  15           2HB      TYR  15   4.178  -1.800   1.287
  119    HD1  TYR  15           HD2      TYR  15   5.908  -2.880   4.446
  120    HD2  TYR  15           HD1      TYR  15   5.030  -3.948   0.376
  121    HE1  TYR  15           HE2      TYR  15   6.817  -5.120   4.839
  122    HE2  TYR  15           HE1      TYR  15   5.935  -6.186   0.770
  123    HH   TYR  15           HH       TYR  15   6.886  -7.573   2.236
  124    H    ASP  16           H        ASP  16   5.594  -0.399  -0.675
  125    HA   ASP  16           HA       ASP  16   7.783  -2.144  -1.683
  126    HB2  ASP  16           2HB      ASP  16   5.571  -2.058  -2.935
  127    HB3  ASP  16           1HB      ASP  16   5.948  -0.387  -3.304
  128    HD2  ASP  16           HD2      ASP  16   6.908  -3.611  -3.668
  129    H    LYS  17           H        LYS  17   7.134   1.365  -1.311
  130    HA   LYS  17           HA       LYS  17   9.732   2.132  -2.501
  131    HB2  LYS  17           2HB      LYS  17   7.659   3.603  -2.537
  132    HB3  LYS  17           1HB      LYS  17   7.785   3.801  -0.792
  133    HG2  LYS  17           1HG      LYS  17  10.040   4.925  -1.106
  134    HG3  LYS  17           2HG      LYS  17   9.926   4.665  -2.849
  135    HD2  LYS  17           2HD      LYS  17   7.826   6.086  -2.915
  136    HD3  LYS  17           1HD      LYS  17   7.941   6.335  -1.169
  137    HE2  LYS  17           2HE      LYS  17  10.198   7.472  -1.480
  138    HE3  LYS  17           1HE      LYS  17  10.082   7.221  -3.228
  139    HZ1  LYS  17           2HZ      LYS  17   8.045   8.550  -3.216
  140    HZ3  LYS  17           1HZ      LYS  17   8.151   8.782  -1.601
  141    H    VAL  18           H        VAL  18   8.774   0.744   0.390
  142    HA   VAL  18           HA       VAL  18  10.807   1.954   2.198
  143    HB   VAL  18           HB       VAL  18   8.438   0.250   2.917
  144   HG11  VAL  18          1HG1      VAL  18  10.113  -0.760   4.250
  145   HG12  VAL  18          2HG1      VAL  18   8.978   0.166   5.240
  146   HG13  VAL  18          3HG1      VAL  18  10.614   0.835   4.902
  147   HG21  VAL  18          3HG2      VAL  18   7.785   2.109   4.388
  148   HG22  VAL  18          1HG2      VAL  18   7.990   2.687   2.727
  149   HG23  VAL  18          2HG2      VAL  18   9.257   3.014   3.942
  150    H    LYS  19           H        LYS  19   9.825  -1.250   1.053
  151    HA   LYS  19           HA       LYS  19  12.223  -2.619   1.918
  152    HB2  LYS  19           2HB      LYS  19   9.988  -3.662   1.260
  153    HB3  LYS  19           1HB      LYS  19  10.339  -3.306  -0.420
  154    HG2  LYS  19           2HG      LYS  19  10.734  -5.637  -0.011
  155    HG3  LYS  19           1HG      LYS  19  12.288  -4.905  -0.360
  156    HD2  LYS  19           1HD      LYS  19  12.832  -4.863   2.107
  157    HD3  LYS  19           2HD      LYS  19  11.259  -5.539   2.498
  158    HE2  LYS  19           1HE      LYS  19  13.407  -6.969   0.776
  159    HE3  LYS  19           2HE      LYS  19  13.210  -7.190   2.513
  160    HZ1  LYS  19           2HZ      LYS  19  12.110  -8.912   1.260
  161    HZ3  LYS  19           1HZ      LYS  19  11.166  -7.838   0.468
  162    H    GLU  20           H        GLU  20  11.990  -0.256  -0.519
  163    HA   GLU  20           HA       GLU  20  14.103  -1.323  -2.306
  164    HB2  GLU  20           1HB      GLU  20  11.997  -0.517  -3.359
  165    HB3  GLU  20           2HB      GLU  20  12.308   1.043  -2.647
  166    HG2  GLU  20           2HG      GLU  20  12.916   1.164  -4.970
  167    HG3  GLU  20           1HG      GLU  20  14.383   1.323  -4.017
  168    HE2  GLU  20           HE2      GLU  20  12.486  -0.710  -5.942
  169    HN1  NH2  21           2HN      NH2  21  13.577   1.963  -1.122
  170    HN2  NH2  21           1HN      NH2  21  14.296   1.232   0.320
  Start of MODEL   29
    1    H1   ACE   1           3HA      ACE   1 -12.253  -2.972  -3.968
    2    H2   ACE   1           1HA      ACE   1 -12.946  -1.376  -3.620
    3    H3   ACE   1           2HA      ACE   1 -11.359  -1.835  -2.937
    4    H    GLU   1           H        GLU   1 -14.359  -2.675  -0.479
    5    HA   GLU   1           HA       GLU   1 -14.420  -0.443  -2.172
    6    HB2  GLU   1           2HB      GLU   1 -15.083  -0.646   0.815
    7    HB3  GLU   1           1HB      GLU   1 -15.531   0.673  -0.227
    8    HG2  GLU   1           2HG      GLU   1 -17.473  -0.480  -0.155
    9    HG3  GLU   1           1HG      GLU   1 -16.828  -0.830  -1.746
   10    HE2  GLU   1           HE2      GLU   1 -16.579  -2.785  -2.268
   11    H    SER   2           H        SER   2 -14.157   1.754  -0.420
   12    HA   SER   2           HA       SER   2 -11.624   2.864  -1.007
   13    HB2  SER   2           2HB      SER   2 -13.750   4.062  -0.252
   14    HB3  SER   2           1HB      SER   2 -13.234   3.722   1.376
   15    HG   SER   2           HG       SER   2 -11.720   5.097  -0.586
   16    H    ALA   3           H        ALA   3 -12.578   1.506   2.042
   17    HA   ALA   3           HA       ALA   3  -9.812   1.668   3.125
   18    HB1  ALA   3           3HB      ALA   3 -12.263   0.243   4.371
   19    HB2  ALA   3           1HB      ALA   3 -11.843   1.965   4.638
   20    HB3  ALA   3           2HB      ALA   3 -10.766   0.678   5.249
   21    H    LYS   4           H        LYS   4 -10.586  -0.109   1.057
   22    HA   LYS   4           HA       LYS   4  -8.467  -2.092   1.482
   23    HB2  LYS   4           1HB      LYS   4 -10.882  -3.129   2.018
   24    HB3  LYS   4           2HB      LYS   4 -11.178  -3.004   0.296
   25    HG2  LYS   4           1HG      LYS   4 -10.621  -5.294   0.822
   26    HG3  LYS   4           2HG      LYS   4  -9.296  -4.661  -0.136
   27    HD2  LYS   4           2HD      LYS   4  -7.934  -4.313   1.981
   28    HD3  LYS   4           1HD      LYS   4  -9.288  -4.912   2.947
   29    HE2  LYS   4           2HE      LYS   4  -9.136  -7.160   1.760
   30    HE3  LYS   4           1HE      LYS   4  -7.782  -6.556   0.792
   31    HZ1  LYS   4           2HZ      LYS   4  -6.555  -6.190   2.862
   32    HZ3  LYS   4           1HZ      LYS   4  -7.805  -6.748   3.755
   33    H    HIS   5           H        HIS   5  -9.259   0.193  -0.164
   34    HA   HIS   5           HA       HIS   5  -7.663  -0.533  -2.607
   35    HB2  HIS   5           1HB      HIS   5 -10.088   0.165  -3.122
   36    HB3  HIS   5           2HB      HIS   5  -9.772   1.732  -2.389
   37    HD2  HIS   5           HD2      HIS   5  -7.939  -0.512  -5.101
   38    HE1  HIS   5           HE1      HIS   5  -8.004   3.377  -6.578
   39    HE2  HIS   5           HE2      HIS   5  -7.227   0.996  -7.166
   40    H    MET   6           H        MET   6  -8.143   1.952  -0.055
   41    HA   MET   6           HA       MET   6  -5.645   3.356  -0.820
   42    HB2  MET   6           1HB      MET   6  -7.234   3.847   1.788
   43    HB3  MET   6           2HB      MET   6  -6.050   4.893   1.027
   44    HG2  MET   6           1HG      MET   6  -7.997   4.713  -0.987
   45    HG3  MET   6           2HG      MET   6  -8.988   4.577   0.459
   46    HE1  MET   6           3HE      MET   6 -10.193   6.944  -0.280
   47    HE2  MET   6           1HE      MET   6  -9.086   7.043  -1.686
   48    HE3  MET   6           2HE      MET   6  -9.265   8.441  -0.584
   49    H    PHE   7           H        PHE   7  -6.902   1.144   1.707
   50    HA   PHE   7           HA       PHE   7  -4.323   0.828   3.066
   51    HB2  PHE   7           2HB      PHE   7  -7.022  -0.526   3.077
   52    HB3  PHE   7           1HB      PHE   7  -5.763  -1.473   3.752
   53    HD1  PHE   7           HD1      PHE   7  -7.896   1.506   4.201
   54    HD2  PHE   7           HD2      PHE   7  -4.557  -0.645   5.856
   55    HE1  PHE   7           HE1      PHE   7  -8.137   2.743   6.284
   56    HE2  PHE   7           HE2      PHE   7  -4.793   0.600   7.941
   57    HZ   PHE   7           HZ       PHE   7  -6.590   2.307   8.191
   58    H    ASP   8           H        ASP   8  -6.003  -0.926   0.507
   59    HA   ASP   8           HA       ASP   8  -4.135  -3.082   0.066
   60    HB2  ASP   8           1HB      ASP   8  -6.370  -2.751  -1.040
   61    HB3  ASP   8           2HB      ASP   8  -5.663  -1.650  -2.187
   62    HD2  ASP   8           HD2      ASP   8  -4.293  -2.399  -3.625
   63    H    ARG   9           H        ARG   9  -4.250   0.138  -1.488
   64    HA   ARG   9           HA       ARG   9  -1.692  -0.026  -2.896
   65    HB2  ARG   9           2HB      ARG   9  -3.378   2.433  -2.114
   66    HB3  ARG   9           1HB      ARG   9  -1.836   2.594  -2.940
   67    HG2  ARG   9           2HG      ARG   9  -2.616   1.279  -4.880
   68    HG3  ARG   9           1HG      ARG   9  -4.166   0.947  -4.108
   69    HD2  ARG   9           1HD      ARG   9  -4.788   3.360  -4.140
   70    HD3  ARG   9           2HD      ARG   9  -3.180   3.806  -4.743
   71   HH11  ARG   9          2HH1      ARG   9  -4.740   5.277  -5.619
   72   HH12  ARG   9          1HH1      ARG   9  -5.399   5.702  -7.278
   73   HH21  ARG   9          2HH2      ARG   9  -5.126   2.479  -8.459
   74   HH22  ARG   9          1HH2      ARG   9  -5.602   4.222  -8.776
   75    H    ILE  10           H        ILE  10  -2.488   1.795   0.129
   76    HA   ILE  10           HA       ILE  10   0.117   2.587   0.875
   77    HB   ILE  10           HB       ILE  10  -2.394   1.806   2.330
   78   HG12  ILE  10          2HG1      ILE  10  -1.066   4.557   2.020
   79   HG13  ILE  10          1HG1      ILE  10  -2.192   3.903   0.854
   80   HG21  ILE  10          1HG2      ILE  10  -0.043   2.929   3.878
   81   HG22  ILE  10          2HG2      ILE  10  -1.734   2.758   4.465
   82   HG23  ILE  10          3HG2      ILE  10  -0.809   1.316   4.055
   83   HD11  ILE  10          3HD1      ILE  10  -3.516   5.328   2.184
   84   HD12  ILE  10          1HD1      ILE  10  -2.915   4.620   3.721
   85   HD13  ILE  10          2HD1      ILE  10  -3.971   3.670   2.645
   86    H    GLY  11           H        GLY  11  -1.393  -0.482   1.534
   87    HA2  GLY  11           2HA      GLY  11   0.626  -1.817   3.050
   88    HA3  GLY  11           1HA      GLY  11  -0.526  -2.668   1.973
   89    H    LYS  12           H        LYS  12   0.563  -1.332  -0.385
   90    HA   LYS  12           HA       LYS  12   3.414  -2.188  -0.602
   91    HB2  LYS  12           2HB      LYS  12   1.894  -4.201  -1.216
   92    HB3  LYS  12           1HB      LYS  12   1.370  -3.314  -2.637
   93    HG2  LYS  12           2HG      LYS  12   3.654  -3.314  -3.560
   94    HG3  LYS  12           1HG      LYS  12   4.358  -3.916  -2.072
   95    HD2  LYS  12           1HD      LYS  12   2.303  -5.578  -3.684
   96    HD3  LYS  12           2HD      LYS  12   3.998  -5.518  -4.101
   97    HE2  LYS  12           2HE      LYS  12   3.788  -7.502  -2.835
   98    HE3  LYS  12           1HE      LYS  12   4.641  -6.374  -1.789
   99    HZ1  LYS  12           2HZ      LYS  12   2.955  -7.556  -0.596
  100    HZ3  LYS  12           1HZ      LYS  12   2.558  -5.971  -0.621
  101    H    ASP  13           H        ASP  13   2.549   0.296  -0.392
  102    HA   ASP  13           HA       ASP  13   3.854   1.516  -2.794
  103    HB2  ASP  13           1HB      ASP  13   1.258   1.989  -2.448
  104    HB3  ASP  13           2HB      ASP  13   1.783   2.931  -1.109
  105    HD2  ASP  13           HD2      ASP  13   2.980   4.681  -1.431
  106    H    VAL  14           H        VAL  14   3.058   1.980   0.633
  107    HA   VAL  14           HA       VAL  14   5.921   2.900   0.877
  108    HB   VAL  14           HB       VAL  14   5.569   4.290   2.719
  109   HG11  VAL  14          3HG2      VAL  14   3.753   5.086   0.374
  110   HG12  VAL  14          1HG2      VAL  14   5.525   5.196   0.411
  111   HG13  VAL  14          2HG2      VAL  14   4.550   6.212   1.520
  112   HG21  VAL  14          1HG1      VAL  14   3.488   3.287   3.751
  113   HG22  VAL  14          2HG1      VAL  14   3.249   5.032   3.480
  114   HG23  VAL  14          3HG1      VAL  14   2.517   3.834   2.368
  115    H    TYR  15           H        TYR  15   5.162   0.787   0.634
  116    HA   TYR  15           HA       TYR  15   6.676  -0.785   2.722
  117    HB2  TYR  15           2HB      TYR  15   4.339  -1.533   3.055
  118    HB3  TYR  15           1HB      TYR  15   4.151  -1.774   1.336
  119    HD1  TYR  15           HD1      TYR  15   6.131  -2.982   4.314
  120    HD2  TYR  15           HD2      TYR  15   4.888  -3.893   0.297
  121    HE1  TYR  15           HE1      TYR  15   7.168  -5.189   4.492
  122    HE2  TYR  15           HE2      TYR  15   5.929  -6.096   0.477
  123    HH   TYR  15           HH       TYR  15   7.617  -7.119   3.456
  124    H    ASP  16           H        ASP  16   5.589  -0.341  -0.684
  125    HA   ASP  16           HA       ASP  16   7.793  -2.053  -1.729
  126    HB2  ASP  16           1HB      ASP  16   5.557  -1.906  -2.970
  127    HB3  ASP  16           2HB      ASP  16   5.985  -0.248  -3.327
  128    HD2  ASP  16           HD2      ASP  16   7.691  -3.374  -5.259
  129    H    LYS  17           H        LYS  17   7.140   1.446  -1.296
  130    HA   LYS  17           HA       LYS  17   9.745   2.223  -2.467
  131    HB2  LYS  17           1HB      LYS  17   7.667   3.691  -2.476
  132    HB3  LYS  17           2HB      LYS  17   7.798   3.865  -0.731
  133    HG2  LYS  17           2HG      LYS  17  10.067   4.967  -1.043
  134    HG3  LYS  17           1HG      LYS  17   9.928   4.784  -2.785
  135    HD2  LYS  17           1HD      LYS  17   7.985   6.411  -1.010
  136    HD3  LYS  17           2HD      LYS  17   9.379   7.081  -1.846
  137    HE2  LYS  17           1HE      LYS  17   8.387   6.413  -4.090
  138    HE3  LYS  17           2HE      LYS  17   6.959   5.774  -3.264
  139    HZ1  LYS  17           2HZ      LYS  17   6.572   7.992  -2.349
  140    HZ3  LYS  17           1HZ      LYS  17   7.889   8.586  -3.114
  141    H    VAL  18           H        VAL  18   8.769   0.802   0.405
  142    HA   VAL  18           HA       VAL  18  10.822   1.962   2.223
  143    HB   VAL  18           HB       VAL  18   8.435   0.272   2.926
  144   HG11  VAL  18          3HG2      VAL  18  10.107  -0.729   4.269
  145   HG12  VAL  18          1HG2      VAL  18   8.967   0.199   5.251
  146   HG13  VAL  18          2HG2      VAL  18  10.603   0.871   4.916
  147   HG21  VAL  18          1HG1      VAL  18   7.770   2.131   4.391
  148   HG22  VAL  18          2HG1      VAL  18   7.977   2.705   2.730
  149   HG23  VAL  18          3HG1      VAL  18   9.241   3.041   3.946
  150    H    LYS  19           H        LYS  19   9.804  -1.223   1.056
  151    HA   LYS  19           HA       LYS  19  12.194  -2.615   1.932
  152    HB2  LYS  19           1HB      LYS  19   9.910  -3.584   1.372
  153    HB3  LYS  19           2HB      LYS  19  10.241  -3.332  -0.339
  154    HG2  LYS  19           2HG      LYS  19  12.082  -5.013  -0.261
  155    HG3  LYS  19           1HG      LYS  19  12.009  -5.076   1.493
  156    HD2  LYS  19           2HD      LYS  19  10.932  -7.068   0.653
  157    HD3  LYS  19           1HD      LYS  19   9.730  -6.069   1.434
  158    HE2  LYS  19           1HE      LYS  19   8.713  -7.008  -0.544
  159    HE3  LYS  19           2HE      LYS  19   8.888  -5.283  -0.842
  160    HZ1  LYS  19           2HZ      LYS  19  10.864  -5.763  -2.160
  161    HZ3  LYS  19           1HZ      LYS  19   9.558  -6.556  -2.743
  162    H    GLU  20           H        GLU  20  11.973  -0.270  -0.500
  163    HA   GLU  20           HA       GLU  20  14.015  -1.404  -2.331
  164    HB2  GLU  20           1HB      GLU  20  11.918  -0.556  -3.344
  165    HB3  GLU  20           2HB      GLU  20  12.266   1.000  -2.643
  166    HG2  GLU  20           2HG      GLU  20  12.826   1.101  -4.977
  167    HG3  GLU  20           1HG      GLU  20  14.315   1.251  -4.060
  168    HE2  GLU  20           HE2      GLU  20  15.723  -0.310  -4.109
  169    HN1  NH2  21           2HN      NH2  21  13.609   1.905  -1.162
  170    HN2  NH2  21           1HN      NH2  21  14.337   1.165   0.270