*HEADER    VIRAL CAPSID                            27-JUL-98   1BMX      
*TITLE     HIV-1 CAPSID PROTEIN MAJOR HOMOLOGY REGION PEPTIDE ANALOG,    
*TITLE    2 NMR, 8 STRUCTURES                                            
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 CAPSID;        
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: MAJOR HOMOLOGY REGION PEPTIDE, N-TERMINAL CYS;     
*COMPND   5 SYNONYM: HIV-1 P24 MHR PEPTIDE ANALOG;                       
*COMPND   6 ENGINEERED: YES;                                             
*COMPND   7 MUTATION: N-TERMINAL CYS                                     
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;    
*SOURCE   4 ORGANISM_COMMON: HIV-1                                       
*KEYWDS    HIV, VIRAL CAPSID, P24, MHR, MAJOR HOMOLOGY REGION            
*EXPDTA    NMR, 8 STRUCTURES                                             
*AUTHOR    C.B.CLISH,D.H.PEYTON,E.BARKLIS                                
*REVDAT   1   12-OCT-04 1BMX    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_18:HG1*   1:VAL_18:HG2*   1:VAL_18:CG1    1:VAL_18:CG2    1:VAL_18:CB    
1:LEU_4:HD1*    1:LEU_4:HD2*    1:LEU_4:CD1     1:LEU_4:CD2     1:LEU_4:CG     
!
#chiral
1:CYHN_1:CA        R
1:SER_2:CA         S
1:ILE_3:CA         S
1:ILE_3:CB         S
1:LEU_4:CA         S
1:ASP_5:CA         S
1:ILE_6:CA         S
1:ILE_6:CB         S
1:ARG+_7:CA        S
1:GLN_8:CA         S
1:PRO_10:CA        S
1:LYS+_11:CA       S
1:GLU_12:CA        S
1:PRO_13:CA        S
1:PHE_14:CA        S
1:ARG+_15:CA       S
1:ASP_16:CA        S
1:TYR_17:CA        S
1:VAL_18:CA        S
1:ASP_19:CA        S
1:ARG+_20:CA       S
1:PHE_21:CA        S
1:TYR_22:CA        S
1:LYS+_23:CA       S
1:THR_24:CA        S
1:THR_24:CB        R
1:LEU_25:CA        S
1:ARG+_26:CA       S
1:ALA_27:CA        S
1:GLU_28:CA        S
1:GLN_29:CA        S
1:ALA_30:CA        S
1:SER_31:CA        S
!
#NOE_distance
1:PHE_21:HN        1:TYR_22:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:PHE_21:HN          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:ARG+_20:HN       1:PHE_21:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_21:HD*       1:PHE_21:HN          -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:LEU_4:HN         1:ILE_3:HN           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_15:HN       1:ASP_16:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_17:HN        1:ASP_16:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:ASP_16:HN          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:ASP_19:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_20:HN       1:ASP_19:HN          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HN        1:LYS+_23:HN         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:THR_24:HN        1:LYS+_23:HN         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:LYS+_23:HN         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_17:HN        1:VAL_18:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_17:HD*       1:VAL_18:HN          -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:GLN_29:HN        1:GLU_28:HN          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ARG+_7:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:ARG+_15:HN         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ALA_27:HN        1:ARG+_26:HN         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:LEU_25:HN          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:THR_24:HN        1:LEU_25:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_21:HD*       1:LEU_25:HN          -1.00  7.000  5.000  30.00 30.00 1000.000  0.00
1:LEU_4:HN         1:ASP_5:HN           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ASP_5:HN           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:ARG+_20:HN         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLU_28:HN        1:ALA_27:HN          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_29:HN        1:ALA_30:HN          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HE*       1:TYR_17:HN          -1.00  7.000  5.000  30.00 30.00 1000.000  0.00
1:TYR_17:HD*       1:TYR_17:HN          -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:GLN_29:HE22      1:GLN_29:HE21        -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HE*       1:ARG+_15:HE         -1.00  7.000  5.000  30.00 30.00 1000.000  0.00
1:PHE_21:HD*       1:PHE_21:HE*         -1.00  6.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:TYR_22:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:TYR_22:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:PHE_21:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_21:HN        1:TYR_17:HE*         -1.00  7.000  5.000  30.00 30.00 1000.000  0.00
1:TYR_22:HD*       1:TYR_22:HE*         -1.00  6.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HE*       1:TYR_17:HD*         -1.00  6.700  2.700  30.00 30.00 1000.000  0.00
1:SER_2:HN         1:CYHN_1:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:ASP_19:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:PHE_21:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:TYR_22:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_11:HN       1:PRO_13:HD2         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:VAL_18:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_21:HN        1:VAL_18:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:VAL_18:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:VAL_18:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ASP_5:HA           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_5:HN         1:ASP_5:HA           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:ASP_19:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_20:HN       1:ASP_19:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_17:HN        1:PHE_14:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_11:HN       1:PRO_10:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_15:HN       1:PHE_14:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:PHE_14:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_17:HN        1:ASP_16:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_16:HN        1:ASP_16:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLY_9:HN         1:GLN_8:HA           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_8:HN         1:GLN_8:HA           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:PRO_13:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ALA_30:HN        1:ALA_30:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_11:HN       1:LYS+_11:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:THR_24:HN        1:THR_24:HB          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LEU_25:HN        1:THR_24:HB          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_7:HN        1:ARG+_7:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_29:HN        1:GLN_29:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HN        1:TYR_17:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_4:HN         1:LEU_4:HA           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_21:HN        1:PHE_21:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLU_28:HN        1:GLU_28:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_3:HN         1:ILE_3:HA           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LEU_4:HN         1:ILE_3:HA           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ILE_3:HA           -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:GLY_9:HN         1:GLY_9:HA*          -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:TYR_22:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LEU_25:HN        1:TYR_22:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_3:HN         1:SER_2:HB1          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ILE_6:HA           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_7:HN        1:ILE_6:HA           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_21:HN        1:ARG+_20:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:ARG+_20:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_20:HN       1:ARG+_20:HA         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_29:HN        1:ARG+_26:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_15:HN       1:ARG+_15:HA         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HN        1:LEU_25:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:THR_24:HN        1:THR_24:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ALA_27:HN        1:THR_24:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:LYS+_23:HA         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLY_9:HN         1:PRO_10:HD*         -1.00  6.000  5.000  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:PRO_13:HD1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:PRO_13:HD2         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:PHE_21:HD*       1:PHE_21:HA          -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HD*       1:TYR_17:HA          -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HD*       1:TYR_22:HA          -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_14:HA        1:TYR_17:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HA        1:PHE_21:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:PHE_21:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:TYR_17:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HA        1:TYR_22:HE*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HA       1:TYR_22:HD*         -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:TYR_17:HE*         -1.00  7.000  5.000  30.00 30.00 1000.000  0.00
1:PRO_13:HD1       1:LYS+_11:HN         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:SER_2:HN         1:SER_2:HB1          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:SER_2:HN         1:SER_2:HB2          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:ASP_16:HN        1:ARG+_15:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:ASP_16:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ALA_27:HN        1:ALA_27:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_5:HN         1:LEU_4:HA           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:ARG+_15:HA         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:PHE_14:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:SER_2:HA         1:ILE_3:HN           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:TYR_22:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:PHE_21:HB1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_21:HN        1:PHE_21:HB1         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_21:HN        1:PHE_21:HB2         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:ASP_19:HB2         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:TYR_22:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_16:HN        1:ASP_16:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:ASP_19:HB1         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_29:HN        1:GLN_29:HG1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLN_8:HN         1:GLN_8:HG2          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLU_28:HN        1:GLU_28:HG1         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:ARG+_20:HN       1:ASP_19:HB2         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_5:HN         1:ASP_5:HB*          -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HN        1:TYR_17:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:PHE_14:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ASP_5:HB*          -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:PHE_21:HD*       1:PHE_21:HB1         -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_21:HD*       1:PHE_21:HB2         -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HD*       1:TYR_17:HB*         -1.00  5.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_15:HE       1:ARG+_15:HD*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HD*       1:TYR_22:HB*         -1.00  5.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_20:HE       1:ARG+_20:HD*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HE*       1:TYR_17:HB*         -1.00  5.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_8:HE21       1:GLN_8:HG2          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_15:HE       1:ARG+_15:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:GLU_28:HN        1:LEU_25:HD*         -1.00  5.900  3.500  30.00 30.00 1000.000  0.00
1:LEU_25:HN        1:LEU_25:HD*         -1.00  5.900  3.500  30.00 30.00 1000.000  0.00
1:TYR_17:HN        1:VAL_18:HG1*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:LEU_4:HN         1:ILE_3:HG2*         -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:VAL_18:HG2*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_7:HN        1:ILE_6:HG2*         -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:VAL_18:HG1*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:VAL_18:HG1*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:VAL_18:HG2*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_3:HN         1:ILE_3:HG11         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:ILE_3:HN         1:ILE_3:HB           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:VAL_18:HB          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:LYS+_23:HB2        -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HN       1:LYS+_23:HB1        -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HN        1:THR_24:HG2*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:GLU_28:HN        1:GLU_28:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ALA_30:HN        1:GLN_29:HB2         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ILE_6:HB           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_14:HN        1:PRO_13:HB1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ILE_6:HG12         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HN         1:ILE_6:HG11         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LEU_4:HN         1:LEU_4:HG           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ALA_30:HN        1:ALA_30:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ALA_27:HN        1:ALA_27:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HN        1:LEU_25:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:VAL_18:HB          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_7:HN        1:ARG+_7:HB2         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_26:HD*      1:ARG+_26:HE         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_16:HB*       1:TYR_17:HN          -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HB*       1:VAL_18:HN          -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_5:HB*        1:SER_2:HN           -1.00  6.000  5.000  30.00 30.00 1000.000  0.00
1:GLU_28:HG2       1:GLU_28:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PRO_10:HB2       1:LYS+_11:HN         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_26:HB*      1:ARG+_26:HN         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HB*       1:ARG+_26:HN         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HG*      1:LYS+_23:HN         -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_11:HG*      1:LYS+_11:HN         -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_11:HB*      1:LYS+_11:HN         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:PRO_10:HB1       1:LYS+_11:HN         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_20:HB*      1:ASP_19:HN          -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_7:HB1       1:GLN_8:HN           -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:GLN_8:HB*        1:GLN_8:HN           -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HB1      1:THR_24:HN          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_26:HG1      1:ARG+_26:HE         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_26:HG2      1:ARG+_26:HE         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HD*       1:ARG+_26:HN         -1.00  5.900  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HA        1:VAL_18:HG1*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HA        1:VAL_18:HG2*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HA        1:LEU_25:HD*         -1.00  5.900  3.500  30.00 30.00 1000.000  0.00
1:PHE_14:HA        1:PRO_13:HB1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:TYR_22:HA        1:LEU_25:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:THR_24:HA        1:ALA_27:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HA       1:ARG+_26:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_15:HA       1:VAL_18:HB          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:LEU_25:HA        1:GLU_28:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:GLY_9:HA*        1:PRO_10:HD*         -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_16:HA        1:ASP_19:HB2         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:PHE_21:HB1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:PHE_21:HB2         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PRO_13:HD1       1:PRO_13:HD2         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_21:HB2       1:PHE_21:HB1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HB2       1:ASP_19:HB1         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLU_28:HB*       1:LEU_25:HD*         -1.00  6.900  3.500  30.00 30.00 1000.000  0.00
1:GLU_28:HG1       1:LEU_25:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLN_29:HG1       1:ARG+_26:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLN_29:HG2       1:ARG+_26:HA         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:VAL_18:HG2*      1:ARG+_15:HA         -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:VAL_18:HG1*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:VAL_18:HG2*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:VAL_18:HB        1:VAL_18:HG1*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:VAL_18:HB        1:VAL_18:HG2*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:THR_24:HB        1:THR_24:HG2*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:THR_24:HB        1:THR_24:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:THR_24:HA        1:THR_24:HG2*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HB*       1:LEU_25:HD*         -1.00  6.100  2.700  30.00 30.00 1000.000  0.00
1:LEU_25:HD*       1:ARG+_26:HG2        -1.00  5.100  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HA        1:TYR_22:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:PHE_21:HA        1:PHE_21:HB1         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_3:HB         1:ILE_3:HG11         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:ILE_3:HA         1:ILE_3:HG2*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_3:HA         1:ILE_3:HD1*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_3:HA         1:ILE_3:HB           -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_16:HN        1:ARG+_15:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_3:HN         1:ILE_3:HG12         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:ASP_16:HA        1:ASP_16:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_5:HA         1:ASP_5:HB*          -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_8:HA         1:GLN_8:HG2          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLN_8:HA         1:GLN_8:HG1          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_8:HB*        1:GLN_8:HA           -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ALA_30:HA        1:ALA_30:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_17:HA        1:TYR_17:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HE*      1:LYS+_23:HG*        -1.00  5.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HA       1:LYS+_23:HG*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HA       1:LYS+_23:HD*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HA       1:LYS+_23:HB2        -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HA       1:LYS+_23:HB1        -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HE*      1:LYS+_23:HD*        -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HE*      1:LYS+_23:HB2        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HD*      1:LYS+_23:HG*        -1.00  4.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_23:HG*      1:LYS+_23:HB2        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:LYS+_11:HD*      1:LYS+_11:HA         -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:ASP_19:HA        1:ASP_19:HB2         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ASP_19:HA        1:ASP_19:HB1         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_6:HA         1:ILE_6:HD1*         -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HA         1:ILE_6:HG2*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:ILE_6:HA         1:ILE_6:HG12         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HB         1:ILE_6:HG11         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HB         1:ILE_6:HG12         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ALA_27:HA        1:ALA_27:HB*         -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
1:GLU_28:HA        1:GLU_28:HG2         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLU_28:HA        1:GLU_28:HG1         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:PRO_13:HD1       1:PRO_13:HB1         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PRO_13:HB2       1:PRO_13:HB1         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:PRO_13:HB2       1:PRO_13:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:GLN_8:HE22       1:GLN_8:HG2          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:GLN_29:HE22      1:GLN_29:HG1         -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:THR_24:HB        1:LEU_25:HD*         -1.00  7.400  5.000  30.00 30.00 1000.000  0.00
1:PHE_21:HA        1:THR_24:HG2*        -1.00  4.500  3.500  30.00 30.00 1000.000  0.00
1:LYS+_23:HA       1:ARG+_26:HN         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ARG+_20:HN       1:ASP_16:HA          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:ASP_19:HN        1:ARG+_15:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:THR_24:HN        1:ARG+_20:HA         -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_26:HN       1:TYR_22:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:GLN_29:HN        1:LEU_25:HA          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ALA_30:HN        1:ALA_27:HA          -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:THR_24:HA        1:LEU_25:HN          -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ILE_6:HA         1:GLN_8:HN           -1.00  3.500  3.500  30.00 30.00 1000.000  0.00
1:ARG+_26:HA       1:ARG+_26:HN         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:ALA_27:HN        1:ARG+_26:HA         -1.00  2.700  2.700  30.00 30.00 1000.000  0.00
1:TYR_22:HN        1:THR_24:HN          -1.00  5.000  5.000  30.00 30.00 1000.000  0.00
1:TYR_17:HA        1:ARG+_20:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000  0.00
!
#mixing_times
30.000000E-01 1.500000E-01 3.000000E-01 

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    CYS   1          2H        CYS   1  24.592   4.106   4.106
    2   2H    CYS   1          3H        CYS   1  24.063   4.991   4.991
    3   3H    CYS   1          1H        CYS   1  25.298   3.899   3.899
    4    HA   CYS   1           HA       CYS   1  23.276   2.912   2.912
    5   1HB   CYS   1          1HB       CYS   1  21.802   4.526   4.526
    6   2HB   CYS   1          2HB       CYS   1  22.087   3.575   3.575
    7    HG   CYS   1           HG       CYS   1  19.745   2.977   2.977
    8    H    SER   2           H        SER   2  24.203   0.888   0.888
    9    HA   SER   2           HA       SER   2  24.511  -0.903  -0.903
   10   1HB   SER   2          1HB       SER   2  26.972  -1.194  -1.194
   11   2HB   SER   2          2HB       SER   2  26.565   0.455   0.455
   12    HG   SER   2           HG       SER   2  28.184   0.380   0.380
   13    H    ILE   3           H        ILE   3  26.410  -1.046  -1.046
   14    HA   ILE   3           HA       ILE   3  24.879  -3.440  -3.440
   15    HB   ILE   3           HB       ILE   3  27.347  -3.135  -3.135
   16   1HG1  ILE   3          2HG1      ILE   3  27.291  -3.760  -3.760
   17   2HG1  ILE   3          1HG1      ILE   3  25.575  -3.405  -3.405
   18   1HG2  ILE   3          1HG2      ILE   3  27.351  -0.659  -0.659
   19   2HG2  ILE   3          2HG2      ILE   3  26.492  -1.001  -1.001
   20   3HG2  ILE   3          3HG2      ILE   3  28.137  -1.634  -1.634
   21   1HD1  ILE   3          3HD1      ILE   3  26.924  -5.570  -5.570
   22   2HD1  ILE   3          1HD1      ILE   3  26.051  -5.864  -5.864
   23   3HD1  ILE   3          2HD1      ILE   3  25.166  -5.289  -5.289
   24    H    LEU   4           H        LEU   4  24.860  -0.001  -0.001
   25    HA   LEU   4           HA       LEU   4  22.318  -0.197  -0.197
   26   1HB   LEU   4          1HB       LEU   4  22.453   2.228   2.228
   27   2HB   LEU   4          2HB       LEU   4  23.859   1.471   1.471
   28    HG   LEU   4           HG       LEU   4  24.050   2.558   2.558
   29   1HD1  LEU   4          2HD2      LEU   4  22.955   4.408   4.408
   30   2HD1  LEU   4          3HD2      LEU   4  24.222   4.318   4.318
   31   3HD1  LEU   4          1HD2      LEU   4  24.628   4.837   4.837
   32   1HD2  LEU   4          2HD1      LEU   4  26.093   2.467   2.467
   33   2HD2  LEU   4          3HD1      LEU   4  26.087   1.388   1.388
   34   3HD2  LEU   4          1HD1      LEU   4  26.413   3.108   3.108
   35    H    ASP   5           H        ASP   5  21.589  -1.404  -1.404
   36    HA   ASP   5           HA       ASP   5  19.856   0.398   0.398
   37   1HB   ASP   5          1HB       ASP   5  21.887  -0.575  -0.575
   38   2HB   ASP   5          2HB       ASP   5  21.348  -2.196  -2.196
   39    HD2  ASP   5           HD2      ASP   5  19.512  -2.324  -2.324
   40    H    ILE   6           H        ILE   6  20.024  -3.098  -3.098
   41    HA   ILE   6           HA       ILE   6  17.019  -3.297  -3.297
   42    HB   ILE   6           HB       ILE   6  19.042  -5.538  -5.538
   43   1HG1  ILE   6          2HG1      ILE   6  17.749  -4.571  -4.571
   44   2HG1  ILE   6          1HG1      ILE   6  19.430  -4.372  -4.372
   45   1HG2  ILE   6          3HG2      ILE   6  16.051  -5.536  -5.536
   46   2HG2  ILE   6          1HG2      ILE   6  17.071  -6.993  -6.993
   47   3HG2  ILE   6          2HG2      ILE   6  16.654  -6.052  -6.052
   48   1HD1  ILE   6          3HD1      ILE   6  19.773  -6.867  -6.867
   49   2HD1  ILE   6          1HD1      ILE   6  18.094  -7.076  -7.076
   50   3HD1  ILE   6          2HD1      ILE   6  19.284  -6.221  -6.221
   51    H    ARG   7           H        ARG   7  17.042  -1.827  -1.827
   52    HA   ARG   7           HA       ARG   7  17.361  -2.498  -2.498
   53   1HB   ARG   7          1HB       ARG   7  17.303  -0.184  -0.184
   54   2HB   ARG   7          2HB       ARG   7  15.577  -0.318  -0.318
   55   1HG   ARG   7          1HG       ARG   7  16.085   1.133   1.133
   56   2HG   ARG   7          2HG       ARG   7  15.112  -0.203  -0.203
   57   1HD   ARG   7          1HD       ARG   7  18.204  -0.129  -0.129
   58   2HD   ARG   7          2HD       ARG   7  17.093   0.582   0.582
   59    HE   ARG   7           HE       ARG   7  16.152  -2.127  -2.127
   60   1HH1  ARG   7          2HH2      ARG   7  18.981  -0.697  -0.697
   61   2HH1  ARG   7          1HH2      ARG   7  19.372  -2.237  -2.237
   62   1HH2  ARG   7          1HH1      ARG   7  16.573  -3.785  -3.785
   63   2HH2  ARG   7          2HH1      ARG   7  18.042  -3.924  -3.924
   64    H    GLN   8           H        GLN   8  14.527  -3.098  -3.098
   65    HA   GLN   8           HA       GLN   8  12.341  -4.036  -4.036
   66   1HB   GLN   8          1HB       GLN   8  13.976  -5.371  -5.371
   67   2HB   GLN   8          2HB       GLN   8  12.389  -5.894  -5.894
   68   1HG   GLN   8          1HG       GLN   8  13.229  -6.439  -6.439
   69   2HG   GLN   8          2HG       GLN   8  14.828  -5.833  -5.833
   70   1HE2  GLN   8          2HE2      GLN   8  15.695  -8.886  -8.886
   71   2HE2  GLN   8          1HE2      GLN   8  16.174  -7.138  -7.138
   72    H    GLY   9           H        GLY   9  11.250  -2.134  -2.134
   73   1HA   GLY   9          1HA       GLY   9   9.744  -2.320  -2.320
   74   2HA   GLY   9          2HA       GLY   9  10.801  -0.926  -0.926
   75    HA   PRO  10           HA       PRO  10   7.611  -0.109  -0.109
   76   1HB   PRO  10          1HB       PRO  10   5.216  -1.776  -1.776
   77   2HB   PRO  10          2HB       PRO  10   5.844  -1.518  -1.518
   78   1HG   PRO  10          1HG       PRO  10   6.300  -3.898  -3.898
   79   2HG   PRO  10          2HG       PRO  10   7.623  -3.141  -3.141
   80   1HD   PRO  10          1HD       PRO  10   7.161  -3.036  -3.036
   81   2HD   PRO  10          2HD       PRO  10   8.656  -3.436  -3.436
   82    H    LYS  11           H        LYS  11   6.120   1.501   1.501
   83    HA   LYS  11           HA       LYS  11   4.970   2.643   2.643
   84   1HB   LYS  11          1HB       LYS  11   6.950   4.019   4.019
   85   2HB   LYS  11          2HB       LYS  11   6.052   4.870   4.870
   86   1HG   LYS  11          1HG       LYS  11   7.102   3.509   3.509
   87   2HG   LYS  11          2HG       LYS  11   7.908   2.497   2.497
   88   1HD   LYS  11          1HD       LYS  11   9.120   4.668   4.668
   89   2HD   LYS  11          2HD       LYS  11   8.453   5.461   5.461
   90   1HE   LYS  11          1HE       LYS  11  10.660   4.824   4.824
   91   2HE   LYS  11          2HE       LYS  11   9.606   3.661   3.661
   92   1HZ   LYS  11          1HZ       LYS  11  10.099   2.044   2.044
   93   2HZ   LYS  11          2HZ       LYS  11  11.096   3.142   3.142
   94   3HZ   LYS  11          3HZ       LYS  11  11.488   2.481   2.481
   95    H    GLU  12           H        GLU  12   5.200   4.058   4.058
   96    HA   GLU  12           HA       GLU  12   2.432   4.995   4.995
   97   1HB   GLU  12          2HB       GLU  12   4.540   4.591   4.591
   98   2HB   GLU  12          1HB       GLU  12   2.921   5.034   5.034
   99   1HG   GLU  12          1HG       GLU  12   4.455   6.711   6.711
  100   2HG   GLU  12          2HG       GLU  12   4.676   6.938   6.938
  101    HE2  GLU  12           HE2      GLU  12   2.159   9.165   9.165
  102    HA   PRO  13           HA       PRO  13   0.788   0.892   0.892
  103   1HB   PRO  13          1HB       PRO  13   2.823  -0.919  -0.919
  104   2HB   PRO  13          2HB       PRO  13   1.986  -1.200  -1.200
  105   1HG   PRO  13          1HG       PRO  13   4.572  -0.401  -0.401
  106   2HG   PRO  13          2HG       PRO  13   3.408   0.425   0.425
  107   1HD   PRO  13          1HD       PRO  13   4.437   1.343   1.343
  108   2HD   PRO  13          2HD       PRO  13   4.379   2.300   2.300
  109    H    PHE  14           H        PHE  14   2.434   0.952   0.952
  110    HA   PHE  14           HA       PHE  14   0.476  -0.936  -0.936
  111   1HB   PHE  14          1HB       PHE  14   3.056  -1.149  -1.149
  112   2HB   PHE  14          2HB       PHE  14   3.139   0.307   0.307
  113    HD1  PHE  14           HD1      PHE  14   1.075  -2.924  -2.924
  114    HD2  PHE  14           HD2      PHE  14   3.923  -0.331  -0.331
  115    HE1  PHE  14           HE1      PHE  14   1.139  -4.423  -4.423
  116    HE2  PHE  14           HE2      PHE  14   3.994  -1.856  -1.856
  117    HZ   PHE  14           HZ       PHE  14   2.603  -3.901  -3.901
  118    H    ARG  15           H        ARG  15   1.308   2.480   2.480
  119    HA   ARG  15           HA       ARG  15  -0.893   2.650   2.650
  120   1HB   ARG  15          1HB       ARG  15   1.141   4.814   4.814
  121   2HB   ARG  15          2HB       ARG  15   0.049   4.952   4.952
  122   1HG   ARG  15          1HG       ARG  15   2.510   3.091   3.091
  123   2HG   ARG  15          2HG       ARG  15   2.390   4.604   4.604
  124   1HD   ARG  15          1HD       ARG  15   2.270   2.977   2.977
  125   2HD   ARG  15          2HD       ARG  15   0.613   3.590   3.590
  126    HE   ARG  15           HE       ARG  15   0.602   1.342   1.342
  127   1HH1  ARG  15          2HH2      ARG  15   1.342   1.722   1.722
  128   2HH1  ARG  15          1HH2      ARG  15   0.806   0.013   0.013
  129   1HH2  ARG  15          1HH1      ARG  15   0.077  -0.557  -0.557
  130   2HH2  ARG  15          2HH1      ARG  15   0.127  -1.224  -1.224
  131    H    ASP  16           H        ASP  16  -0.557   3.451   3.451
  132    HA   ASP  16           HA       ASP  16  -3.353   4.462   4.462
  133   1HB   ASP  16          1HB       ASP  16  -1.585   3.497   3.497
  134   2HB   ASP  16          2HB       ASP  16  -3.217   4.104   4.104
  135    HD1  ASP  16           HD2      ASP  16  -0.138   6.626   6.626
  136    H    TYR  17           H        TYR  17  -2.069   1.539   1.539
  137    HA   TYR  17           HA       TYR  17  -4.380  -0.116  -0.116
  138   1HB   TYR  17          1HB       TYR  17  -2.533  -1.541  -1.541
  139   2HB   TYR  17          2HB       TYR  17  -1.585  -0.855  -0.855
  140    HD1  TYR  17           HD2      TYR  17  -4.706  -2.993  -2.993
  141    HD2  TYR  17           HD1      TYR  17  -1.201  -2.046  -2.046
  142    HE1  TYR  17           HE2      TYR  17  -5.333  -4.676  -4.676
  143    HE2  TYR  17           HE1      TYR  17  -1.837  -3.727  -3.727
  144    HH   TYR  17           HH       TYR  17  -4.956  -5.350  -5.350
  145    H    VAL  18           H        VAL  18  -2.431   0.460   0.460
  146    HA   VAL  18           HA       VAL  18  -4.351  -0.156  -0.156
  147    HB   VAL  18           HB       VAL  18  -1.964   0.928   0.928
  148   1HG1  VAL  18          2HG1      VAL  18  -2.747   3.202   3.202
  149   2HG1  VAL  18          3HG1      VAL  18  -3.384   3.531   3.531
  150   3HG1  VAL  18          1HG1      VAL  18  -1.625   3.204   3.204
  151   1HG2  VAL  18          1HG2      VAL  18  -3.309   0.127   0.127
  152   2HG2  VAL  18          2HG2      VAL  18  -2.311   1.574   1.574
  153   3HG2  VAL  18          3HG2      VAL  18  -4.059   1.743   1.743
  154    H    ASP  19           H        ASP  19  -4.539   2.878   2.878
  155    HA   ASP  19           HA       ASP  19  -6.325   4.020   4.020
  156   1HB   ASP  19          2HB       ASP  19  -4.684   5.217   5.217
  157   2HB   ASP  19          1HB       ASP  19  -5.997   5.027   5.027
  158    HD1  ASP  19           HD2      ASP  19  -6.260   7.677   7.677
  159    H    ARG  20           H        ARG  20  -6.766   2.576   2.576
  160    HA   ARG  20           HA       ARG  20  -9.604   2.523   2.523
  161   1HB   ARG  20          1HB       ARG  20  -7.623   2.750   2.750
  162   2HB   ARG  20          2HB       ARG  20  -6.885   1.333   1.333
  163   1HG   ARG  20          1HG       ARG  20  -8.399  -0.192  -0.192
  164   2HG   ARG  20          2HG       ARG  20  -9.681   0.986   0.986
  165   1HD   ARG  20          1HD       ARG  20  -8.707   0.377   0.377
  166   2HD   ARG  20          2HD       ARG  20  -8.598   2.115   2.115
  167    HE   ARG  20           HE       ARG  20  -6.075   1.395   1.395
  168   1HH1  ARG  20          2HH2      ARG  20  -7.725   0.614   0.614
  169   2HH1  ARG  20          1HH2      ARG  20  -6.154   0.628   0.628
  170   1HH2  ARG  20          1HH1      ARG  20  -4.384   1.382   1.382
  171   2HH2  ARG  20          2HH1      ARG  20  -4.329   1.022   1.022
  172    H    PHE  21           H        PHE  21  -7.143   0.144   0.144
  173    HA   PHE  21           HA       PHE  21  -8.948  -1.881  -1.881
  174   1HB   PHE  21          2HB       PHE  21  -6.254  -1.774  -1.774
  175   2HB   PHE  21          1HB       PHE  21  -6.487  -1.077  -1.077
  176    HD1  PHE  21           HD1      PHE  21  -7.656  -4.107  -4.107
  177    HD2  PHE  21           HD2      PHE  21  -6.382  -2.585  -2.585
  178    HE1  PHE  21           HE1      PHE  21  -7.689  -6.388  -6.388
  179    HE2  PHE  21           HE2      PHE  21  -6.410  -4.875  -4.875
  180    HZ   PHE  21           HZ       PHE  21  -7.058  -6.776  -6.776
  181    H    TYR  22           H        TYR  22  -7.772   0.925   0.925
  182    HA   TYR  22           HA       TYR  22  -9.441   0.421   0.421
  183   1HB   TYR  22          1HB       TYR  22  -7.271   1.919   1.919
  184   2HB   TYR  22          2HB       TYR  22  -8.300   3.167   3.167
  185    HD1  TYR  22           HD1      TYR  22  -7.458   1.135   1.135
  186    HD2  TYR  22           HD2      TYR  22  -9.770   4.460   4.460
  187    HE1  TYR  22           HE1      TYR  22  -7.873   1.854   1.854
  188    HE2  TYR  22           HE2      TYR  22 -10.173   5.176   5.176
  189    HH   TYR  22           HH       TYR  22  -8.554   3.600   3.600
  190    H    LYS  23           H        LYS  23 -10.314   2.575   2.575
  191    HA   LYS  23           HA       LYS  23 -12.994   2.906   2.906
  192   1HB   LYS  23          2HB       LYS  23 -12.015   4.635   4.635
  193   2HB   LYS  23          1HB       LYS  23 -12.014   3.372   3.372
  194   1HG   LYS  23          1HG       LYS  23 -13.860   5.113   5.113
  195   2HG   LYS  23          2HG       LYS  23 -14.432   3.451   3.451
  196   1HD   LYS  23          1HD       LYS  23 -14.901   3.761   3.761
  197   2HD   LYS  23          2HD       LYS  23 -14.509   5.470   5.470
  198   1HE   LYS  23          1HE       LYS  23 -16.437   5.800   5.800
  199   2HE   LYS  23          2HE       LYS  23 -16.665   4.049   4.049
  200   1HZ   LYS  23          3HZ       LYS  23 -17.127   3.926   3.926
  201   2HZ   LYS  23          1HZ       LYS  23 -17.066   5.560   5.560
  202   3HZ   LYS  23          2HZ       LYS  23 -18.273   4.834   4.834
  203    H    THR  24           H        THR  24 -11.709   0.582   0.582
  204    HA   THR  24           HA       THR  24 -14.106  -0.948  -0.948
  205    HB   THR  24           HB       THR  24 -11.367  -2.108  -2.108
  206    HG1  THR  24           HG1      THR  24 -11.307  -0.678  -0.678
  207   1HG2  THR  24          3HG2      THR  24 -13.775  -3.275  -3.275
  208   2HG2  THR  24          1HG2      THR  24 -12.133  -3.959  -3.959
  209   3HG2  THR  24          2HG2      THR  24 -13.088  -3.957  -3.957
  210    H    LEU  25           H        LEU  25 -11.761  -1.555  -1.555
  211    HA   LEU  25           HA       LEU  25 -13.649  -2.981  -2.981
  212   1HB   LEU  25          1HB       LEU  25 -10.935  -2.517  -2.517
  213   2HB   LEU  25          2HB       LEU  25 -11.393  -1.178  -1.178
  214    HG   LEU  25           HG       LEU  25 -11.914  -4.193  -4.193
  215   1HD1  LEU  25          2HD1      LEU  25  -9.540  -3.441  -3.441
  216   2HD1  LEU  25          3HD1      LEU  25 -10.042  -2.199  -2.199
  217   3HD1  LEU  25          1HD1      LEU  25 -10.224  -3.931  -3.931
  218   1HD2  LEU  25          1HD2      LEU  25 -12.691  -1.863  -1.863
  219   2HD2  LEU  25          2HD2      LEU  25 -13.774  -3.074  -3.074
  220   3HD2  LEU  25          3HD2      LEU  25 -12.618  -3.575  -3.575
  221    H    ARG  26           H        ARG  26 -13.064   0.660   0.660
  222    HA   ARG  26           HA       ARG  26 -15.548   0.960   0.960
  223   1HB   ARG  26          1HB       ARG  26 -13.701   2.987   2.987
  224   2HB   ARG  26          2HB       ARG  26 -15.130   3.506   3.506
  225   1HG   ARG  26          2HG       ARG  26 -12.992   1.841   1.841
  226   2HG   ARG  26          1HG       ARG  26 -12.768   3.555   3.555
  227   1HD   ARG  26          1HD       ARG  26 -14.723   4.159   4.159
  228   2HD   ARG  26          2HD       ARG  26 -15.389   2.543   2.543
  229    HE   ARG  26           HE       ARG  26 -13.807   1.636   1.636
  230   1HH1  ARG  26          2HH2      ARG  26 -12.912   4.930   4.930
  231   2HH1  ARG  26          1HH2      ARG  26 -11.568   4.862   4.862
  232   1HH2  ARG  26          1HH1      ARG  26 -12.455   1.649   1.649
  233   2HH2  ARG  26          2HH1      ARG  26 -11.385   3.098   3.098
  234    H    ALA  27           H        ALA  27 -15.528  -0.355  -0.355
  235    HA   ALA  27           HA       ALA  27 -18.386   0.417   0.417
  236   1HB   ALA  27          1HB       ALA  27 -17.465   0.700   0.700
  237   2HB   ALA  27          2HB       ALA  27 -16.893  -0.986  -0.986
  238   3HB   ALA  27          3HB       ALA  27 -18.638  -0.638  -0.638
  239    H    GLU  28           H        GLU  28 -16.098  -2.318  -2.318
  240    HA   GLU  28           HA       GLU  28 -18.100  -4.319  -4.319
  241   1HB   GLU  28          1HB       GLU  28 -15.375  -3.942  -3.942
  242   2HB   GLU  28          2HB       GLU  28 -16.353  -5.390  -5.390
  243   1HG   GLU  28          1HG       GLU  28 -15.969  -5.565  -5.565
  244   2HG   GLU  28          2HG       GLU  28 -14.902  -4.234  -4.234
  245    HE1  GLU  28           HE2      GLU  28 -13.772  -7.771  -7.771
  246    H    GLN  29           H        GLN  29 -16.529  -1.880  -1.880
  247    HA   GLN  29           HA       GLN  29 -18.281  -2.363  -2.363
  248   1HB   GLN  29          2HB       GLN  29 -16.642   0.184   0.184
  249   2HB   GLN  29          1HB       GLN  29 -17.454  -0.139  -0.139
  250   1HG   GLN  29          2HG       GLN  29 -15.923  -2.379  -2.379
  251   2HG   GLN  29          1HG       GLN  29 -14.987  -1.498  -1.498
  252   1HE2  GLN  29          2HE2      GLN  29 -14.797  -0.285  -0.285
  253   2HE2  GLN  29          1HE2      GLN  29 -16.175  -1.355  -1.355
  254    H    ALA  30           H        ALA  30 -18.504   0.035   0.035
  255    HA   ALA  30           HA       ALA  30 -21.272   0.438   0.438
  256   1HB   ALA  30          1HB       ALA  30 -19.795   2.753   2.753
  257   2HB   ALA  30          2HB       ALA  30 -21.520   2.771   2.771
  258   3HB   ALA  30          3HB       ALA  30 -20.926   1.601   1.601
  259    H    SER  31           H        SER  31 -21.608   0.868   0.868
  260    HA   SER  31           HA       SER  31 -19.573   2.029   2.029
  261   1HB   SER  31          1HB       SER  31 -21.247   1.583   1.583
  262   2HB   SER  31          2HB       SER  31 -21.197   0.221   0.221
  263    HG   SER  31           HG       SER  31 -23.021   2.346   2.346
  264    HXT  SER  31           HO        OH  32 -22.382   4.918   4.918

  Start of MODEL    2
    1   1H    CYS   1          3H        CYS   1   3.097 -14.861 -14.861
    2   2H    CYS   1          1H        CYS   1   2.727 -16.299 -16.299
    3   3H    CYS   1          2H        CYS   1   4.003 -16.194 -16.194
    4    HA   CYS   1           HA       CYS   1   4.909 -16.261 -16.261
    5   1HB   CYS   1          1HB       CYS   1   2.892 -13.936 -13.936
    6   2HB   CYS   1          2HB       CYS   1   4.055 -14.505 -14.505
    7    HG   CYS   1           HG       CYS   1   3.144 -16.788 -16.788
    8    H    SER   2           H        SER   2   6.874 -15.196 -15.196
    9    HA   SER   2           HA       SER   2   7.461 -12.440 -12.440
   10   1HB   SER   2          1HB       SER   2   8.522 -14.776 -14.776
   11   2HB   SER   2          2HB       SER   2   9.242 -13.163 -13.163
   12    HG   SER   2           HG       SER   2   6.462 -13.241 -13.241
   13    H    ILE   3           H        ILE   3   9.518 -15.353 -15.353
   14    HA   ILE   3           HA       ILE   3  11.578 -14.007 -14.007
   15    HB   ILE   3           HB       ILE   3  11.850 -16.064 -16.064
   16   1HG1  ILE   3          1HG1      ILE   3  13.604 -17.207 -17.207
   17   2HG1  ILE   3          2HG1      ILE   3  13.090 -16.295 -16.295
   18   1HG2  ILE   3          1HG2      ILE   3   9.954 -17.449 -17.449
   19   2HG2  ILE   3          2HG2      ILE   3  10.925 -17.652 -17.652
   20   3HG2  ILE   3          3HG2      ILE   3  11.503 -18.315 -18.315
   21   1HD1  ILE   3          2HD1      ILE   3  14.184 -15.011 -15.011
   22   2HD1  ILE   3          3HD1      ILE   3  15.145 -15.341 -15.341
   23   3HD1  ILE   3          1HD1      ILE   3  13.836 -14.146 -14.146
   24    H    LEU   4           H        LEU   4   8.938 -15.888 -15.888
   25    HA   LEU   4           HA       LEU   4   9.770 -14.929 -14.929
   26   1HB   LEU   4          1HB       LEU   4   8.098 -16.606 -16.606
   27   2HB   LEU   4          2HB       LEU   4   9.454 -17.285 -17.285
   28    HG   LEU   4           HG       LEU   4   8.021 -17.779 -17.779
   29   1HD1  LEU   4          3HD2      LEU   4   5.671 -16.775 -16.775
   30   2HD1  LEU   4          1HD2      LEU   4   5.496 -17.710 -17.710
   31   3HD1  LEU   4          2HD2      LEU   4   6.198 -16.083 -16.083
   32   1HD2  LEU   4          2HD1      LEU   4   8.399 -19.501 -19.501
   33   2HD2  LEU   4          3HD1      LEU   4   6.775 -19.667 -19.667
   34   3HD2  LEU   4          1HD1      LEU   4   6.986 -18.920 -18.920
   35    H    ASP   5           H        ASP   5   8.875 -13.051 -13.051
   36    HA   ASP   5           HA       ASP   5   6.428 -11.891 -11.891
   37   1HB   ASP   5          1HB       ASP   5   5.574 -13.441 -13.441
   38   2HB   ASP   5          2HB       ASP   5   6.500 -12.587 -12.587
   39    HD1  ASP   5           HD2      ASP   5   3.261 -10.817 -10.817
   40    H    ILE   6           H        ILE   6   8.316 -11.183 -11.183
   41    HA   ILE   6           HA       ILE   6   8.277  -8.214  -8.214
   42    HB   ILE   6           HB       ILE   6   9.468  -9.613  -9.613
   43   1HG1  ILE   6          1HG1      ILE   6   6.714  -8.288  -8.288
   44   2HG1  ILE   6          2HG1      ILE   6   6.993  -9.971  -9.971
   45   1HG2  ILE   6          3HG2      ILE   6  10.450  -7.303  -7.303
   46   2HG2  ILE   6          1HG2      ILE   6   8.812  -6.615  -6.615
   47   3HG2  ILE   6          2HG2      ILE   6   9.474  -7.263  -7.263
   48   1HD1  ILE   6          1HD1      ILE   6   7.868  -9.416  -9.416
   49   2HD1  ILE   6          2HD1      ILE   6   7.421  -7.707  -7.707
   50   3HD1  ILE   6          3HD1      ILE   6   6.162  -8.963  -8.963
   51    H    ARG   7           H        ARG   7   9.333  -8.787  -8.787
   52    HA   ARG   7           HA       ARG   7  12.272  -8.510  -8.510
   53   1HB   ARG   7          1HB       ARG   7  11.547 -10.974 -10.974
   54   2HB   ARG   7          2HB       ARG   7  10.526 -10.836 -10.836
   55   1HG   ARG   7          1HG       ARG   7  12.658 -10.479 -10.479
   56   2HG   ARG   7          2HG       ARG   7  13.609 -10.550 -10.550
   57   1HD   ARG   7          1HD       ARG   7  13.796 -12.724 -12.724
   58   2HD   ARG   7          2HD       ARG   7  12.758 -12.922 -12.922
   59    HE   ARG   7           HE       ARG   7  11.078 -12.420 -12.420
   60   1HH1  ARG   7          2HH2      ARG   7  12.949 -14.960 -14.960
   61   2HH1  ARG   7          1HH2      ARG   7  12.086 -16.246 -16.246
   62   1HH2  ARG   7          1HH1      ARG   7  10.129 -13.828 -13.828
   63   2HH2  ARG   7          2HH1      ARG   7  10.522 -15.617 -15.617
   64    H    GLN   8           H        GLN   8   9.109  -8.059  -8.059
   65    HA   GLN   8           HA       GLN   8  10.340  -7.129  -7.129
   66   1HB   GLN   8          1HB       GLN   8   8.092  -9.212  -9.212
   67   2HB   GLN   8          2HB       GLN   8   8.306  -8.340  -8.340
   68   1HG   GLN   8          1HG       GLN   8  10.489  -9.308  -9.308
   69   2HG   GLN   8          2HG       GLN   8  10.697  -9.865  -9.865
   70   1HE2  GLN   8          2HE2      GLN   8   8.406 -12.248 -12.248
   71   2HE2  GLN   8          1HE2      GLN   8   8.598 -10.457 -10.457
   72    H    GLY   9           H        GLY   9   9.947  -5.016  -5.016
   73   1HA   GLY   9          1HA       GLY   9   7.106  -4.073  -4.073
   74   2HA   GLY   9          2HA       GLY   9   8.586  -3.265  -3.265
   75    HA   PRO  10           HA       PRO  10   7.592  -2.333  -2.333
   76   1HB   PRO  10          1HB       PRO  10   4.614  -1.809  -1.809
   77   2HB   PRO  10          2HB       PRO  10   5.333  -2.311  -2.311
   78   1HG   PRO  10          1HG       PRO  10   4.159  -4.201  -4.201
   79   2HG   PRO  10          2HG       PRO  10   5.750  -4.569  -4.569
   80   1HD   PRO  10          1HD       PRO  10   5.130  -3.685  -3.685
   81   2HD   PRO  10          2HD       PRO  10   6.241  -4.964  -4.964
   82    H    LYS  11           H        LYS  11   7.208  -0.232  -0.232
   83    HA   LYS  11           HA       LYS  11   7.312   2.104   2.104
   84   1HB   LYS  11          1HB       LYS  11   9.258   1.613   1.613
   85   2HB   LYS  11          2HB       LYS  11   9.235   3.057   3.057
   86   1HG   LYS  11          1HG       LYS  11   9.834   0.264   0.264
   87   2HG   LYS  11          2HG       LYS  11  11.036   1.238   1.238
   88   1HD   LYS  11          1HD       LYS  11  11.358   1.614   1.614
   89   2HD   LYS  11          2HD       LYS  11  10.763   3.099   3.099
   90   1HE   LYS  11          1HE       LYS  11   9.827   2.731   2.731
   91   2HE   LYS  11          2HE       LYS  11   8.531   2.801   2.801
   92   1HZ   LYS  11          1HZ       LYS  11   9.625   0.092   0.092
   93   2HZ   LYS  11          2HZ       LYS  11   8.552   0.808   0.808
   94   3HZ   LYS  11          3HZ       LYS  11   8.128   0.461   0.461
   95    H    GLU  12           H        GLU  12   5.521   3.096   3.096
   96    HA   GLU  12           HA       GLU  12   4.270   4.805   4.805
   97   1HB   GLU  12          2HB       GLU  12   5.075   3.506   3.506
   98   2HB   GLU  12          1HB       GLU  12   3.884   4.752   4.752
   99   1HG   GLU  12          1HG       GLU  12   6.839   5.109   5.109
  100   2HG   GLU  12          2HG       GLU  12   6.171   5.567   5.567
  101    HE1  GLU  12           HE2      GLU  12   4.603   8.401   8.401
  102    HA   PRO  13           HA       PRO  13   0.916   1.603   1.603
  103   1HB   PRO  13          1HB       PRO  13   2.214  -1.030  -1.030
  104   2HB   PRO  13          2HB       PRO  13   1.072  -0.766  -0.766
  105   1HG   PRO  13          1HG       PRO  13   3.693  -1.041  -1.041
  106   2HG   PRO  13          2HG       PRO  13   2.814   0.309   0.309
  107   1HD   PRO  13          1HD       PRO  13   4.592   0.391   0.391
  108   2HD   PRO  13          2HD       PRO  13   4.649   1.453   1.453
  109    H    PHE  14           H        PHE  14   2.695   0.358   0.358
  110    HA   PHE  14           HA       PHE  14   0.356  -0.782  -0.782
  111   1HB   PHE  14          1HB       PHE  14   1.785  -1.530  -1.530
  112   2HB   PHE  14          2HB       PHE  14   2.780  -1.510  -1.510
  113    HD1  PHE  14           HD1      PHE  14   3.518   1.713   1.713
  114    HD2  PHE  14           HD2      PHE  14   3.626  -1.766  -1.766
  115    HE1  PHE  14           HE1      PHE  14   5.280   2.741   2.741
  116    HE2  PHE  14           HE2      PHE  14   5.394  -0.717  -0.717
  117    HZ   PHE  14           HZ       PHE  14   6.210   1.545   1.545
  118    H    ARG  15           H        ARG  15   1.100   2.540   2.540
  119    HA   ARG  15           HA       ARG  15  -0.861   2.737   2.737
  120   1HB   ARG  15          1HB       ARG  15   1.591   4.443   4.443
  121   2HB   ARG  15          2HB       ARG  15   0.211   5.350   5.350
  122   1HG   ARG  15          1HG       ARG  15   1.618   5.171   5.171
  123   2HG   ARG  15          2HG       ARG  15   0.160   4.331   4.331
  124   1HD   ARG  15          1HD       ARG  15   2.840   2.995   2.995
  125   2HD   ARG  15          2HD       ARG  15   2.316   3.314   3.314
  126    HE   ARG  15           HE       ARG  15   0.606   1.525   1.525
  127   1HH1  ARG  15          2HH2      ARG  15   2.580   1.676   1.676
  128   2HH1  ARG  15          1HH2      ARG  15   2.162  -0.051  -0.051
  129   1HH2  ARG  15          1HH1      ARG  15   0.177  -0.347  -0.347
  130   2HH2  ARG  15          2HH1      ARG  15   0.843  -1.141  -1.141
  131    H    ASP  16           H        ASP  16  -0.719   3.291   3.291
  132    HA   ASP  16           HA       ASP  16  -3.444   4.477   4.477
  133   1HB   ASP  16          1HB       ASP  16  -1.684   5.081   5.081
  134   2HB   ASP  16          2HB       ASP  16  -1.816   3.417   3.417
  135    HD1  ASP  16           HD2      ASP  16  -4.649   6.144   6.144
  136    H    TYR  17           H        TYR  17  -2.210   1.613   1.613
  137    HA   TYR  17           HA       TYR  17  -4.530  -0.046  -0.046
  138   1HB   TYR  17          1HB       TYR  17  -2.809  -1.499  -1.499
  139   2HB   TYR  17          2HB       TYR  17  -1.667  -0.816  -0.816
  140    HD1  TYR  17           HD2      TYR  17  -4.752  -3.011  -3.011
  141    HD2  TYR  17           HD1      TYR  17  -1.102  -1.936  -1.936
  142    HE1  TYR  17           HE2      TYR  17  -5.182  -4.706  -4.706
  143    HE2  TYR  17           HE1      TYR  17  -1.557  -3.621  -3.621
  144    HH   TYR  17           HH       TYR  17  -4.595  -5.444  -5.444
  145    H    VAL  18           H        VAL  18  -2.447   0.557   0.557
  146    HA   VAL  18           HA       VAL  18  -4.316  -0.230  -0.230
  147    HB   VAL  18           HB       VAL  18  -1.913   0.801   0.801
  148   1HG1  VAL  18          2HG1      VAL  18  -2.676   3.144   3.144
  149   2HG1  VAL  18          3HG1      VAL  18  -3.254   3.397   3.397
  150   3HG1  VAL  18          1HG1      VAL  18  -1.516   3.020   3.020
  151   1HG2  VAL  18          3HG2      VAL  18  -3.207  -0.062  -0.062
  152   2HG2  VAL  18          1HG2      VAL  18  -2.192   1.366   1.366
  153   3HG2  VAL  18          2HG2      VAL  18  -3.948   1.554   1.554
  154    H    ASP  19           H        ASP  19  -4.528   2.903   2.903
  155    HA   ASP  19           HA       ASP  19  -6.373   3.840   3.840
  156   1HB   ASP  19          1HB       ASP  19  -4.769   5.353   5.353
  157   2HB   ASP  19          2HB       ASP  19  -5.790   5.134   5.134
  158    HD1  ASP  19           HD2      ASP  19  -7.130   7.327   7.327
  159    H    ARG  20           H        ARG  20  -6.690   2.447   2.447
  160    HA   ARG  20           HA       ARG  20  -9.527   2.563   2.563
  161   1HB   ARG  20          1HB       ARG  20  -7.529   2.852   2.852
  162   2HB   ARG  20          2HB       ARG  20  -6.887   1.328   1.328
  163   1HG   ARG  20          1HG       ARG  20  -8.557   0.033   0.033
  164   2HG   ARG  20          2HG       ARG  20  -9.724   1.335   1.335
  165   1HD   ARG  20          1HD       ARG  20  -8.883   0.921   0.921
  166   2HD   ARG  20          2HD       ARG  20  -8.520   2.563   2.563
  167    HE   ARG  20           HE       ARG  20  -6.096   1.732   1.732
  168   1HH1  ARG  20          2HH2      ARG  20  -7.898   0.239   0.239
  169   2HH1  ARG  20          1HH2      ARG  20  -6.369  -0.043  -0.043
  170   1HH2  ARG  20          1HH1      ARG  20  -4.481   1.507   1.507
  171   2HH2  ARG  20          2HH1      ARG  20  -4.506   0.643   0.643
  172    H    PHE  21           H        PHE  21  -7.113   0.104   0.104
  173    HA   PHE  21           HA       PHE  21  -8.925  -1.929  -1.929
  174   1HB   PHE  21          2HB       PHE  21  -6.247  -1.839  -1.839
  175   2HB   PHE  21          1HB       PHE  21  -6.472  -1.137  -1.137
  176    HD1  PHE  21           HD2      PHE  21  -7.417  -4.200  -4.200
  177    HD2  PHE  21           HD1      PHE  21  -6.689  -2.573  -2.573
  178    HE1  PHE  21           HE2      PHE  21  -7.531  -6.464  -6.464
  179    HE2  PHE  21           HE1      PHE  21  -6.814  -4.839  -4.839
  180    HZ   PHE  21           HZ       PHE  21  -7.228  -6.785  -6.785
  181    H    TYR  22           H        TYR  22  -7.729   0.817   0.817
  182    HA   TYR  22           HA       TYR  22  -9.503   0.409   0.409
  183   1HB   TYR  22          1HB       TYR  22  -7.334   1.764   1.764
  184   2HB   TYR  22          2HB       TYR  22  -8.116   2.969   2.969
  185    HD1  TYR  22           HD2      TYR  22  -8.799   1.213   1.213
  186    HD2  TYR  22           HD1      TYR  22  -8.645   4.938   4.938
  187    HE1  TYR  22           HE2      TYR  22  -9.348   2.442   2.442
  188    HE2  TYR  22           HE1      TYR  22  -9.172   6.147   6.147
  189    HH   TYR  22           HH       TYR  22  -9.219   5.946   5.946
  190    H    LYS  23           H        LYS  23 -10.248   2.479   2.479
  191    HA   LYS  23           HA       LYS  23 -12.991   2.912   2.912
  192   1HB   LYS  23          2HB       LYS  23 -11.805   4.537   4.537
  193   2HB   LYS  23          1HB       LYS  23 -11.734   3.243   3.243
  194   1HG   LYS  23          1HG       LYS  23 -13.441   5.151   5.151
  195   2HG   LYS  23          2HG       LYS  23 -13.952   3.509   3.509
  196   1HD   LYS  23          1HD       LYS  23 -15.753   4.786   4.786
  197   2HD   LYS  23          2HD       LYS  23 -15.313   3.428   3.428
  198   1HE   LYS  23          1HE       LYS  23 -13.925   5.072   5.072
  199   2HE   LYS  23          2HE       LYS  23 -14.608   6.395   6.395
  200   1HZ   LYS  23          2HZ       LYS  23 -16.263   4.297   4.297
  201   2HZ   LYS  23          3HZ       LYS  23 -16.050   5.842   5.842
  202   3HZ   LYS  23          1HZ       LYS  23 -16.894   5.544   5.544
  203    H    THR  24           H        THR  24 -11.619   0.465   0.465
  204    HA   THR  24           HA       THR  24 -14.040  -1.054  -1.054
  205    HB   THR  24           HB       THR  24 -11.315  -2.207  -2.207
  206    HG1  THR  24           HG1      THR  24 -11.246  -0.860  -0.860
  207   1HG2  THR  24          2HG2      THR  24 -13.049  -4.042  -4.042
  208   2HG2  THR  24          3HG2      THR  24 -13.692  -3.478  -3.478
  209   3HG2  THR  24          1HG2      THR  24 -12.054  -4.165  -4.165
  210    H    LEU  25           H        LEU  25 -11.725  -1.560  -1.560
  211    HA   LEU  25           HA       LEU  25 -13.611  -2.892  -2.892
  212   1HB   LEU  25          1HB       LEU  25 -11.105  -2.839  -2.839
  213   2HB   LEU  25          2HB       LEU  25 -11.169  -1.123  -1.123
  214    HG   LEU  25           HG       LEU  25 -12.447  -1.572  -1.572
  215   1HD1  LEU  25          2HD1      LEU  25 -12.286  -4.555  -4.555
  216   2HD1  LEU  25          3HD1      LEU  25 -12.710  -3.982  -3.982
  217   3HD1  LEU  25          1HD1      LEU  25 -13.749  -3.590  -3.590
  218   1HD2  LEU  25          3HD2      LEU  25  -9.957  -1.532  -1.532
  219   2HD2  LEU  25          1HD2      LEU  25 -10.594  -2.641  -2.641
  220   3HD2  LEU  25          2HD2      LEU  25  -9.909  -3.293  -3.293
  221    H    ARG  26           H        ARG  26 -13.109   0.771   0.771
  222    HA   ARG  26           HA       ARG  26 -15.660   0.891   0.891
  223   1HB   ARG  26          1HB       ARG  26 -13.582   3.031   3.031
  224   2HB   ARG  26          2HB       ARG  26 -15.143   3.485   3.485
  225   1HG   ARG  26          1HG       ARG  26 -14.789   2.135   2.135
  226   2HG   ARG  26          2HG       ARG  26 -13.215   1.579   1.579
  227   1HD   ARG  26          1HD       ARG  26 -12.284   3.897   3.897
  228   2HD   ARG  26          2HD       ARG  26 -13.899   4.547   4.547
  229    HE   ARG  26           HE       ARG  26 -13.317   2.289   2.289
  230   1HH1  ARG  26          2HH2      ARG  26 -12.405   5.612   5.612
  231   2HH1  ARG  26          1HH2      ARG  26 -12.212   5.860   5.860
  232   1HH2  ARG  26          1HH1      ARG  26 -13.034   2.561   2.561
  233   2HH2  ARG  26          2HH1      ARG  26 -12.551   4.172   4.172
  234    H    ALA  27           H        ALA  27 -15.530  -0.136  -0.136
  235    HA   ALA  27           HA       ALA  27 -18.342   0.818   0.818
  236   1HB   ALA  27          2HB       ALA  27 -17.300   0.887   0.887
  237   2HB   ALA  27          3HB       ALA  27 -16.825  -0.821  -0.821
  238   3HB   ALA  27          1HB       ALA  27 -18.545  -0.375  -0.375
  239    H    GLU  28           H        GLU  28 -16.238  -2.135  -2.135
  240    HA   GLU  28           HA       GLU  28 -18.470  -3.855  -3.855
  241   1HB   GLU  28          1HB       GLU  28 -15.588  -3.767  -3.767
  242   2HB   GLU  28          2HB       GLU  28 -16.705  -5.087  -5.087
  243   1HG   GLU  28          2HG       GLU  28 -16.739  -5.607  -5.607
  244   2HG   GLU  28          1HG       GLU  28 -15.672  -4.262  -4.262
  245    HE2  GLU  28           HE2      GLU  28 -14.195  -7.669  -7.669
  246    H    GLN  29           H        GLN  29 -16.482  -1.652  -1.652
  247    HA   GLN  29           HA       GLN  29 -18.182  -1.861  -1.861
  248   1HB   GLN  29          2HB       GLN  29 -16.235   0.412   0.412
  249   2HB   GLN  29          1HB       GLN  29 -16.948   0.188   0.188
  250   1HG   GLN  29          2HG       GLN  29 -15.742  -2.057  -2.057
  251   2HG   GLN  29          1HG       GLN  29 -14.965  -1.723  -1.723
  252   1HE2  GLN  29          2HE2      GLN  29 -12.501  -0.758  -0.758
  253   2HE2  GLN  29          1HE2      GLN  29 -13.374  -2.273  -2.273
  254    H    ALA  30           H        ALA  30 -18.473   0.232   0.232
  255    HA   ALA  30           HA       ALA  30 -20.792   1.607   1.607
  256   1HB   ALA  30          3HB       ALA  30 -18.830   3.037   3.037
  257   2HB   ALA  30          1HB       ALA  30 -18.311   3.249   3.249
  258   3HB   ALA  30          2HB       ALA  30 -19.849   3.943   3.943
  259    H    SER  31           H        SER  31 -21.346   0.028   0.028
  260    HA   SER  31           HA       SER  31 -22.638  -0.248  -0.248
  261   1HB   SER  31          1HB       SER  31 -23.897   1.679   1.679
  262   2HB   SER  31          2HB       SER  31 -23.845   1.787   1.787
  263    HG   SER  31           HG       SER  31 -21.921   3.230   3.230
  264    HXT  SER  31           HO        OH  32 -20.370   2.274   2.274

  Start of MODEL    3
    1   1H    CYS   1          1H        CYS   1  -5.430  -9.451  -9.451
    2   2H    CYS   1          2H        CYS   1  -6.726  -9.408  -9.408
    3   3H    CYS   1          3H        CYS   1  -6.060  -7.997  -7.997
    4    HA   CYS   1           HA       CYS   1  -5.305  -8.286  -8.286
    5   1HB   CYS   1          1HB       CYS   1  -5.867 -10.755 -10.755
    6   2HB   CYS   1          2HB       CYS   1  -4.453 -11.096 -11.096
    7    HG   CYS   1           HG       CYS   1  -3.939 -11.766 -11.766
    8    H    SER   2           H        SER   2  -3.571  -6.901  -6.901
    9    HA   SER   2           HA       SER   2  -1.058  -7.458  -7.458
   10   1HB   SER   2          1HB       SER   2  -1.051  -5.254  -5.254
   11   2HB   SER   2          2HB       SER   2  -2.540  -6.074  -6.074
   12    HG   SER   2           HG       SER   2  -2.216  -4.024  -4.024
   13    H    ILE   3           H        ILE   3   0.754  -6.316  -6.316
   14    HA   ILE   3           HA       ILE   3   0.981  -5.867  -5.867
   15    HB   ILE   3           HB       ILE   3   2.720  -6.727  -6.727
   16   1HG1  ILE   3          1HG1      ILE   3   3.312  -6.567  -6.567
   17   2HG1  ILE   3          2HG1      ILE   3   4.638  -6.095  -6.095
   18   1HG2  ILE   3          2HG2      ILE   3   2.652  -4.738  -4.738
   19   2HG2  ILE   3          3HG2      ILE   3   3.341  -3.706  -3.706
   20   3HG2  ILE   3          1HG2      ILE   3   4.291  -5.061  -5.061
   21   1HD1  ILE   3          3HD1      ILE   3   4.153  -3.611  -3.611
   22   2HD1  ILE   3          1HD1      ILE   3   2.968  -4.225  -4.225
   23   3HD1  ILE   3          2HD1      ILE   3   4.678  -4.653  -4.653
   24    H    LEU   4           H        LEU   4   0.831  -3.369  -3.369
   25    HA   LEU   4           HA       LEU   4   0.645  -1.169  -1.169
   26   1HB   LEU   4          1HB       LEU   4   0.315   0.320   0.320
   27   2HB   LEU   4          2HB       LEU   4   1.651  -0.756  -0.756
   28    HG   LEU   4           HG       LEU   4   0.040  -2.246  -2.246
   29   1HD1  LEU   4          3HD2      LEU   4  -1.615   0.374   0.374
   30   2HD1  LEU   4          1HD2      LEU   4  -1.825  -0.977  -0.977
   31   3HD1  LEU   4          2HD2      LEU   4  -2.179  -1.213  -1.213
   32   1HD2  LEU   4          3HD1      LEU   4   1.905  -0.855  -0.855
   33   2HD2  LEU   4          1HD1      LEU   4   0.500  -0.821  -0.821
   34   3HD2  LEU   4          2HD1      LEU   4   0.849   0.579   0.579
   35    H    ASP   5           H        ASP   5  -1.393  -3.237  -3.237
   36    HA   ASP   5           HA       ASP   5  -3.894  -1.535  -1.535
   37   1HB   ASP   5          1HB       ASP   5  -4.317  -2.956  -2.956
   38   2HB   ASP   5          2HB       ASP   5  -3.961  -4.418  -4.418
   39    HD2  ASP   5           HD2      ASP   5  -7.080  -4.580  -4.580
   40    H    ILE   6           H        ILE   6  -2.716  -4.841  -4.841
   41    HA   ILE   6           HA       ILE   6  -3.312  -4.373  -4.373
   42    HB   ILE   6           HB       ILE   6  -2.492  -7.010  -7.010
   43   1HG1  ILE   6          1HG1      ILE   6  -5.271  -5.845  -5.845
   44   2HG1  ILE   6          2HG1      ILE   6  -4.669  -6.366  -6.366
   45   1HG2  ILE   6          2HG2      ILE   6  -1.950  -6.747  -6.747
   46   2HG2  ILE   6          3HG2      ILE   6  -3.643  -6.315  -6.315
   47   3HG2  ILE   6          1HG2      ILE   6  -3.211  -7.951  -7.951
   48   1HD1  ILE   6          1HD1      ILE   6  -4.581  -8.776  -8.776
   49   2HD1  ILE   6          2HD1      ILE   6  -5.368  -8.247  -8.247
   50   3HD1  ILE   6          3HD1      ILE   6  -6.222  -8.061  -8.061
   51    H    ARG   7           H        ARG   7  -1.667  -2.822  -2.822
   52    HA   ARG   7           HA       ARG   7   1.168  -3.604  -3.604
   53   1HB   ARG   7          1HB       ARG   7   1.617  -1.209  -1.209
   54   2HB   ARG   7          2HB       ARG   7   0.430  -1.556  -1.556
   55   1HG   ARG   7          1HG       ARG   7  -1.426  -0.685  -0.685
   56   2HG   ARG   7          2HG       ARG   7  -0.203  -0.371  -0.371
   57   1HD   ARG   7          1HD       ARG   7  -0.591   1.734   1.734
   58   2HD   ARG   7          2HD       ARG   7   0.973   1.233   1.233
   59    HE   ARG   7           HE       ARG   7  -1.131   0.361   0.361
   60   1HH1  ARG   7          2HH2      ARG   7   0.233   3.358   3.358
   61   2HH1  ARG   7          1HH2      ARG   7  -0.250   4.237   4.237
   62   1HH2  ARG   7          1HH1      ARG   7  -1.595   1.356   1.356
   63   2HH2  ARG   7          2HH1      ARG   7  -1.280   3.152   3.152
   64    H    GLN   8           H        GLN   8  -1.158  -3.014  -3.014
   65    HA   GLN   8           HA       GLN   8   0.520  -2.029  -2.029
   66   1HB   GLN   8          1HB       GLN   8  -2.076  -3.664  -3.664
   67   2HB   GLN   8          2HB       GLN   8  -1.374  -2.555  -2.555
   68   1HG   GLN   8          2HG       GLN   8  -2.823  -1.058  -1.058
   69   2HG   GLN   8          1HG       GLN   8  -1.582  -0.745  -0.745
   70   1HE2  GLN   8          2HE2      GLN   8  -5.086  -2.162  -2.162
   71   2HE2  GLN   8          1HE2      GLN   8  -4.828  -1.777  -1.777
   72    H    GLY   9           H        GLY   9   2.426  -3.287  -3.287
   73   1HA   GLY   9          1HA       GLY   9   2.424  -5.952  -5.952
   74   2HA   GLY   9          2HA       GLY   9   3.820  -5.118  -5.118
   75    HA   PRO  10           HA       PRO  10   2.672  -2.970  -2.970
   76   1HB   PRO  10          2HB       PRO  10   1.981  -4.679  -4.679
   77   2HB   PRO  10          1HB       PRO  10   0.899  -3.840  -3.840
   78   1HG   PRO  10          1HG       PRO  10   2.000  -6.719  -6.719
   79   2HG   PRO  10          2HG       PRO  10   0.288  -6.241  -6.241
   80   1HD   PRO  10          1HD       PRO  10   1.714  -6.676  -6.676
   81   2HD   PRO  10          2HD       PRO  10   0.604  -5.271  -5.271
   82    H    LYS  11           H        LYS  11   4.206  -2.322  -2.322
   83    HA   LYS  11           HA       LYS  11   6.323  -3.524  -3.524
   84   1HB   LYS  11          1HB       LYS  11   8.259  -3.348  -3.348
   85   2HB   LYS  11          2HB       LYS  11   7.140  -4.584  -4.584
   86   1HG   LYS  11          1HG       LYS  11   6.484  -3.320  -3.320
   87   2HG   LYS  11          2HG       LYS  11   7.314  -1.858  -1.858
   88   1HD   LYS  11          1HD       LYS  11   9.522  -2.986  -2.986
   89   2HD   LYS  11          2HD       LYS  11   8.767  -4.518  -4.518
   90   1HE   LYS  11          1HE       LYS  11   9.763  -3.599  -3.599
   91   2HE   LYS  11          2HE       LYS  11   8.015  -3.686  -3.686
   92   1HZ   LYS  11          3HZ       LYS  11   9.365  -1.113  -1.113
   93   2HZ   LYS  11          1HZ       LYS  11   9.095  -1.454  -1.454
   94   3HZ   LYS  11          2HZ       LYS  11   7.841  -1.289  -1.289
   95    H    GLU  12           H        GLU  12   5.733  -0.849  -0.849
   96    HA   GLU  12           HA       GLU  12   6.772   1.172   1.172
   97   1HB   GLU  12          2HB       GLU  12   7.006   1.250   1.250
   98   2HB   GLU  12          1HB       GLU  12   7.360   2.612   2.612
   99   1HG   GLU  12          1HG       GLU  12   9.270   1.514   1.514
  100   2HG   GLU  12          2HG       GLU  12   8.831  -0.066  -0.066
  101    HE1  GLU  12           HE2      GLU  12  10.858   2.500   2.500
  102    HA   PRO  13           HA       PRO  13   2.833   3.440   3.440
  103   1HB   PRO  13          1HB       PRO  13   1.265   0.964   0.964
  104   2HB   PRO  13          2HB       PRO  13   1.203   2.614   2.614
  105   1HG   PRO  13          1HG       PRO  13   2.610   0.754   0.754
  106   2HG   PRO  13          2HG       PRO  13   3.403   2.327   2.327
  107   1HD   PRO  13          1HD       PRO  13   3.720  -0.254  -0.254
  108   2HD   PRO  13          2HD       PRO  13   5.003   0.780   0.780
  109    H    PHE  14           H        PHE  14   2.821   0.662   0.662
  110    HA   PHE  14           HA       PHE  14  -0.064   0.439   0.439
  111   1HB   PHE  14          1HB       PHE  14   0.539  -1.592  -1.592
  112   2HB   PHE  14          2HB       PHE  14   1.751  -1.415  -1.415
  113    HD1  PHE  14           HD2      PHE  14   4.128  -0.415  -0.415
  114    HD2  PHE  14           HD1      PHE  14   1.137  -2.004  -2.004
  115    HE1  PHE  14           HE2      PHE  14   5.830  -0.741  -0.741
  116    HE2  PHE  14           HE1      PHE  14   2.864  -2.335  -2.335
  117    HZ   PHE  14           HZ       PHE  14   5.207  -1.698  -1.698
  118    H    ARG  15           H        ARG  15   0.969   2.938   2.938
  119    HA   ARG  15           HA       ARG  15  -0.895   2.878   2.878
  120   1HB   ARG  15          1HB       ARG  15   1.272   4.916   4.916
  121   2HB   ARG  15          2HB       ARG  15  -0.139   5.508   5.508
  122   1HG   ARG  15          1HG       ARG  15   1.665   5.323   5.323
  123   2HG   ARG  15          2HG       ARG  15   0.352   4.323   4.323
  124   1HD   ARG  15          1HD       ARG  15   2.849   3.220   3.220
  125   2HD   ARG  15          2HD       ARG  15   2.791   3.423   3.423
  126    HE   ARG  15           HE       ARG  15   0.879   1.616   1.616
  127   1HH1  ARG  15          2HH2      ARG  15   2.469   2.191   2.191
  128   2HH1  ARG  15          1HH2      ARG  15   1.790   0.650   0.650
  129   1HH2  ARG  15          1HH1      ARG  15   0.220  -0.107  -0.107
  130   2HH2  ARG  15          2HH1      ARG  15   0.543  -0.591  -0.591
  131    H    ASP  16           H        ASP  16  -0.784   3.578   3.578
  132    HA   ASP  16           HA       ASP  16  -3.617   4.453   4.453
  133   1HB   ASP  16          1HB       ASP  16  -1.815   5.078   5.078
  134   2HB   ASP  16          2HB       ASP  16  -2.036   3.434   3.434
  135    HD2  ASP  16           HD2      ASP  16  -4.691   6.355   6.355
  136    H    TYR  17           H        TYR  17  -2.281   1.703   1.703
  137    HA   TYR  17           HA       TYR  17  -4.485  -0.108  -0.108
  138   1HB   TYR  17          1HB       TYR  17  -2.703  -1.550  -1.550
  139   2HB   TYR  17          2HB       TYR  17  -1.611  -0.818  -0.818
  140    HD1  TYR  17           HD1      TYR  17  -4.622  -3.113  -3.113
  141    HD2  TYR  17           HD2      TYR  17  -1.102  -1.770  -1.770
  142    HE1  TYR  17           HE1      TYR  17  -5.048  -4.722  -4.722
  143    HE2  TYR  17           HE2      TYR  17  -1.528  -3.384  -3.384
  144    HH   TYR  17           HH       TYR  17  -4.483  -5.344  -5.344
  145    H    VAL  18           H        VAL  18  -2.416   0.738   0.738
  146    HA   VAL  18           HA       VAL  18  -4.176  -0.134  -0.134
  147    HB   VAL  18           HB       VAL  18  -1.844   1.016   1.016
  148   1HG1  VAL  18          2HG1      VAL  18  -2.711   3.314   3.314
  149   2HG1  VAL  18          3HG1      VAL  18  -3.299   3.556   3.556
  150   3HG1  VAL  18          1HG1      VAL  18  -1.545   3.261   3.261
  151   1HG2  VAL  18          1HG2      VAL  18  -3.113   0.117   0.117
  152   2HG2  VAL  18          2HG2      VAL  18  -2.179   1.598   1.598
  153   3HG2  VAL  18          3HG2      VAL  18  -3.936   1.691   1.691
  154    H    ASP  19           H        ASP  19  -4.555   2.946   2.946
  155    HA   ASP  19           HA       ASP  19  -6.522   3.785   3.785
  156   1HB   ASP  19          1HB       ASP  19  -4.918   5.388   5.388
  157   2HB   ASP  19          2HB       ASP  19  -5.900   5.144   5.144
  158    HD2  ASP  19           HD2      ASP  19  -8.145   7.528   7.528
  159    H    ARG  20           H        ARG  20  -6.631   2.194   2.194
  160    HA   ARG  20           HA       ARG  20  -9.419   2.357   2.357
  161   1HB   ARG  20          1HB       ARG  20  -7.299   2.511   2.511
  162   2HB   ARG  20          2HB       ARG  20  -6.772   0.989   0.989
  163   1HG   ARG  20          1HG       ARG  20  -8.931  -0.093  -0.093
  164   2HG   ARG  20          2HG       ARG  20  -9.264   1.450   1.450
  165   1HD   ARG  20          1HD       ARG  20  -6.664  -0.203  -0.203
  166   2HD   ARG  20          2HD       ARG  20  -8.015  -0.325  -0.325
  167    HE   ARG  20           HE       ARG  20  -6.073   2.004   2.004
  168   1HH1  ARG  20          2HH2      ARG  20  -9.050   0.953   0.953
  169   2HH1  ARG  20          1HH2      ARG  20  -8.938   2.208   2.208
  170   1HH2  ARG  20          1HH1      ARG  20  -5.948   3.393   3.393
  171   2HH2  ARG  20          2HH1      ARG  20  -7.258   3.520   3.520
  172    H    PHE  21           H        PHE  21  -7.096  -0.110  -0.110
  173    HA   PHE  21           HA       PHE  21  -8.998  -2.132  -2.132
  174   1HB   PHE  21          1HB       PHE  21  -6.387  -2.169  -2.169
  175   2HB   PHE  21          2HB       PHE  21  -6.339  -1.276  -1.276
  176    HD1  PHE  21           HD1      PHE  21  -7.490  -4.549  -4.549
  177    HD2  PHE  21           HD2      PHE  21  -6.451  -2.437  -2.437
  178    HE1  PHE  21           HE1      PHE  21  -7.439  -6.677  -6.677
  179    HE2  PHE  21           HE2      PHE  21  -6.405  -4.569  -4.569
  180    HZ   PHE  21           HZ       PHE  21  -6.899  -6.689  -6.689
  181    H    TYR  22           H        TYR  22  -7.671   0.482   0.482
  182    HA   TYR  22           HA       TYR  22  -9.518   0.056   0.056
  183   1HB   TYR  22          1HB       TYR  22  -7.176   1.224   1.224
  184   2HB   TYR  22          2HB       TYR  22  -7.934   2.625   2.625
  185    HD1  TYR  22           HD2      TYR  22  -8.288   0.274   0.274
  186    HD2  TYR  22           HD1      TYR  22  -8.622   4.328   4.328
  187    HE1  TYR  22           HE2      TYR  22  -8.766   1.028   1.028
  188    HE2  TYR  22           HE1      TYR  22  -9.060   5.077   5.077
  189    HH   TYR  22           HH       TYR  22  -8.813   2.872   2.872
  190    H    LYS  23           H        LYS  23  -9.997   2.332   2.332
  191    HA   LYS  23           HA       LYS  23 -12.640   3.073   3.073
  192   1HB   LYS  23          2HB       LYS  23 -11.335   4.552   4.552
  193   2HB   LYS  23          1HB       LYS  23 -11.411   3.238   3.238
  194   1HG   LYS  23          1HG       LYS  23 -12.956   5.035   5.035
  195   2HG   LYS  23          2HG       LYS  23 -13.900   3.637   3.637
  196   1HD   LYS  23          1HD       LYS  23 -13.665   5.020   5.020
  197   2HD   LYS  23          2HD       LYS  23 -13.567   6.324   6.324
  198   1HE   LYS  23          1HE       LYS  23 -15.870   6.164   6.164
  199   2HE   LYS  23          2HE       LYS  23 -15.730   5.440   5.440
  200   1HZ   LYS  23          3HZ       LYS  23 -15.467   3.188   3.188
  201   2HZ   LYS  23          1HZ       LYS  23 -16.167   4.020   4.020
  202   3HZ   LYS  23          2HZ       LYS  23 -16.989   3.798   3.798
  203    H    THR  24           H        THR  24 -11.600   0.512   0.512
  204    HA   THR  24           HA       THR  24 -14.156  -0.761  -0.761
  205    HB   THR  24           HB       THR  24 -11.492  -2.092  -2.092
  206    HG1  THR  24           HG1      THR  24 -11.380  -0.731  -0.731
  207   1HG2  THR  24          2HG2      THR  24 -14.003  -3.166  -3.166
  208   2HG2  THR  24          3HG2      THR  24 -12.393  -3.923  -3.923
  209   3HG2  THR  24          1HG2      THR  24 -13.290  -3.853  -3.853
  210    H    LEU  25           H        LEU  25 -11.818  -1.551  -1.551
  211    HA   LEU  25           HA       LEU  25 -13.707  -2.804  -2.804
  212   1HB   LEU  25          1HB       LEU  25 -11.237  -2.758  -2.758
  213   2HB   LEU  25          2HB       LEU  25 -11.275  -1.015  -1.015
  214    HG   LEU  25           HG       LEU  25 -12.618  -1.236  -1.236
  215   1HD1  LEU  25          3HD1      LEU  25 -12.405  -4.289  -4.289
  216   2HD1  LEU  25          1HD1      LEU  25 -12.949  -3.490  -3.490
  217   3HD1  LEU  25          2HD1      LEU  25 -13.890  -3.317  -3.317
  218   1HD2  LEU  25          2HD2      LEU  25 -10.160  -1.136  -1.136
  219   2HD2  LEU  25          3HD2      LEU  25 -10.803  -2.142  -2.142
  220   3HD2  LEU  25          1HD2      LEU  25 -10.049  -2.915  -2.915
  221    H    ARG  26           H        ARG  26 -13.099   0.840   0.840
  222    HA   ARG  26           HA       ARG  26 -15.528   1.166   1.166
  223   1HB   ARG  26          1HB       ARG  26 -13.666   3.168   3.168
  224   2HB   ARG  26          2HB       ARG  26 -15.080   3.683   3.683
  225   1HG   ARG  26          1HG       ARG  26 -14.193   2.609   2.609
  226   2HG   ARG  26          2HG       ARG  26 -12.721   2.144   2.144
  227   1HD   ARG  26          1HD       ARG  26 -12.278   4.596   4.596
  228   2HD   ARG  26          2HD       ARG  26 -13.751   5.079   5.079
  229    HE   ARG  26           HE       ARG  26 -11.247   3.833   3.833
  230   1HH1  ARG  26          2HH2      ARG  26 -14.347   5.406   5.406
  231   2HH1  ARG  26          1HH2      ARG  26 -13.793   5.897   5.897
  232   1HH2  ARG  26          1HH1      ARG  26 -10.702   4.461   4.461
  233   2HH2  ARG  26          2HH1      ARG  26 -11.853   5.373   5.373
  234    H    ALA  27           H        ALA  27 -15.608  -0.025  -0.025
  235    HA   ALA  27           HA       ALA  27 -18.448   0.860   0.860
  236   1HB   ALA  27          2HB       ALA  27 -17.339   0.995   0.995
  237   2HB   ALA  27          3HB       ALA  27 -16.898  -0.725  -0.725
  238   3HB   ALA  27          1HB       ALA  27 -18.607  -0.244  -0.244
  239    H    GLU  28           H        GLU  28 -16.322  -2.039  -2.039
  240    HA   GLU  28           HA       GLU  28 -18.556  -3.807  -3.807
  241   1HB   GLU  28          1HB       GLU  28 -15.703  -3.732  -3.732
  242   2HB   GLU  28          2HB       GLU  28 -16.826  -5.060  -5.060
  243   1HG   GLU  28          2HG       GLU  28 -16.812  -5.491  -5.491
  244   2HG   GLU  28          1HG       GLU  28 -15.708  -4.158  -4.158
  245    HE2  GLU  28           HE2      GLU  28 -14.174  -7.588  -7.588
  246    H    GLN  29           H        GLN  29 -16.579  -1.712  -1.712
  247    HA   GLN  29           HA       GLN  29 -18.402  -1.731  -1.731
  248   1HB   GLN  29          1HB       GLN  29 -16.453   0.474   0.474
  249   2HB   GLN  29          2HB       GLN  29 -17.237   0.461   0.461
  250   1HG   GLN  29          1HG       GLN  29 -15.077  -1.488  -1.488
  251   2HG   GLN  29          2HG       GLN  29 -14.865  -0.245  -0.245
  252   1HE2  GLN  29          2HE2      GLN  29 -16.181  -2.369  -2.369
  253   2HE2  GLN  29          1HE2      GLN  29 -15.933  -0.609  -0.609
  254    H    ALA  30           H        ALA  30 -18.307   0.298   0.298
  255    HA   ALA  30           HA       ALA  30 -19.763   1.959   1.959
  256   1HB   ALA  30          3HB       ALA  30 -21.705   0.487   0.487
  257   2HB   ALA  30          1HB       ALA  30 -21.781   1.367   1.367
  258   3HB   ALA  30          2HB       ALA  30 -22.088   2.225   2.225
  259    H    SER  31           H        SER  31 -18.072   3.337   3.337
  260    HA   SER  31           HA       SER  31 -18.775   5.625   5.625
  261   1HB   SER  31          1HB       SER  31 -17.435   4.099   4.099
  262   2HB   SER  31          2HB       SER  31 -16.178   3.941   3.941
  263    HG   SER  31           HG       SER  31 -16.943   6.424   6.424
  264    HXT  SER  31           HO        OH  32 -17.070   7.757   7.757

  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1   4.177 -10.988 -10.988
    2   2H    CYS   1          2H        CYS   1   4.976 -11.339 -11.339
    3   3H    CYS   1          3H        CYS   1   4.090  -9.935  -9.935
    4    HA   CYS   1           HA       CYS   1   2.800 -11.546 -11.546
    5   1HB   CYS   1          1HB       CYS   1   4.106 -13.492 -13.492
    6   2HB   CYS   1          2HB       CYS   1   3.185 -13.286 -13.286
    7    HG   CYS   1           HG       CYS   1   2.269 -15.336 -15.336
    8    H    SER   2           H        SER   2   0.423 -12.310 -12.310
    9    HA   SER   2           HA       SER   2  -0.767 -10.152 -10.152
   10   1HB   SER   2          1HB       SER   2  -2.063 -11.753 -11.753
   11   2HB   SER   2          2HB       SER   2  -2.908 -10.616 -10.616
   12    HG   SER   2           HG       SER   2  -1.471  -8.972  -8.972
   13    H    ILE   3           H        ILE   3  -1.781 -13.450 -13.450
   14    HA   ILE   3           HA       ILE   3  -3.156 -13.814 -13.814
   15    HB   ILE   3           HB       ILE   3  -4.010 -14.687 -14.687
   16   1HG1  ILE   3          2HG1      ILE   3  -4.711 -16.997 -16.997
   17   2HG1  ILE   3          1HG1      ILE   3  -3.581 -16.895 -16.895
   18   1HG2  ILE   3          2HG2      ILE   3  -1.789 -15.579 -15.579
   19   2HG2  ILE   3          3HG2      ILE   3  -1.903 -16.943 -16.943
   20   3HG2  ILE   3          1HG2      ILE   3  -3.147 -16.716 -16.716
   21   1HD1  ILE   3          1HD1      ILE   3  -5.962 -14.949 -14.949
   22   2HD1  ILE   3          2HD1      ILE   3  -5.960 -16.333 -16.333
   23   3HD1  ILE   3          3HD1      ILE   3  -4.895 -14.951 -14.951
   24    H    LEU   4           H        LEU   4  -0.310 -15.660 -15.660
   25    HA   LEU   4           HA       LEU   4   0.259 -16.561 -16.561
   26   1HB   LEU   4          1HB       LEU   4   1.737 -17.209 -17.209
   27   2HB   LEU   4          2HB       LEU   4   2.144 -17.864 -17.864
   28    HG   LEU   4           HG       LEU   4  -0.546 -18.354 -18.354
   29   1HD1  LEU   4          3HD2      LEU   4   1.369 -19.395 -19.395
   30   2HD1  LEU   4          1HD2      LEU   4   1.911 -20.219 -20.219
   31   3HD1  LEU   4          2HD2      LEU   4   0.346 -20.637 -20.637
   32   1HD2  LEU   4          2HD1      LEU   4   0.650 -19.724 -19.724
   33   2HD2  LEU   4          3HD1      LEU   4  -0.765 -18.641 -18.641
   34   3HD2  LEU   4          1HD1      LEU   4  -0.846 -20.213 -20.213
   35    H    ASP   5           H        ASP   5   0.355 -14.202 -14.202
   36    HA   ASP   5           HA       ASP   5   3.272 -13.258 -13.258
   37   1HB   ASP   5          1HB       ASP   5   1.906 -12.466 -12.466
   38   2HB   ASP   5          2HB       ASP   5   0.973 -11.454 -11.454
   39    HD1  ASP   5           HD2      ASP   5   3.536  -9.171  -9.171
   40    H    ILE   6           H        ILE   6  -0.006 -12.724 -12.724
   41    HA   ILE   6           HA       ILE   6   0.949 -10.363 -10.363
   42    HB   ILE   6           HB       ILE   6  -1.922 -11.407 -11.407
   43   1HG1  ILE   6          2HG1      ILE   6  -0.392  -9.231  -9.231
   44   2HG1  ILE   6          1HG1      ILE   6  -1.025 -10.727 -10.727
   45   1HG2  ILE   6          2HG2      ILE   6  -1.402  -9.945  -9.945
   46   2HG2  ILE   6          3HG2      ILE   6  -0.735  -8.694  -8.694
   47   3HG2  ILE   6          1HG2      ILE   6  -2.467  -9.116  -9.116
   48   1HD1  ILE   6          3HD1      ILE   6  -3.397  -9.969  -9.969
   49   2HD1  ILE   6          1HD1      ILE   6  -2.719  -8.372  -8.372
   50   3HD1  ILE   6          2HD1      ILE   6  -2.529  -8.994  -8.994
   51    H    ARG   7           H        ARG   7   2.261 -11.860 -11.860
   52    HA   ARG   7           HA       ARG   7   1.063 -12.319 -12.319
   53   1HB   ARG   7          1HB       ARG   7   1.839 -14.479 -14.479
   54   2HB   ARG   7          2HB       ARG   7   3.445 -13.840 -13.840
   55   1HG   ARG   7          1HG       ARG   7   2.385 -13.760 -13.760
   56   2HG   ARG   7          2HG       ARG   7   2.548 -15.359 -15.359
   57   1HD   ARG   7          1HD       ARG   7   4.892 -15.283 -15.283
   58   2HD   ARG   7          2HD       ARG   7   5.008 -13.557 -13.557
   59    HE   ARG   7           HE       ARG   7   4.853 -15.166 -15.166
   60   1HH1  ARG   7          2HH2      ARG   7   4.501 -11.946 -11.946
   61   2HH1  ARG   7          1HH2      ARG   7   4.648 -11.177 -11.177
   62   1HH2  ARG   7          1HH1      ARG   7   5.092 -14.245 -14.245
   63   2HH2  ARG   7          2HH1      ARG   7   5.063 -12.431 -12.431
   64    H    GLN   8           H        GLN   8   1.406  -9.934  -9.934
   65    HA   GLN   8           HA       GLN   8   3.876  -8.668  -8.668
   66   1HB   GLN   8          1HB       GLN   8   1.231  -7.732  -7.732
   67   2HB   GLN   8          2HB       GLN   8   2.598  -6.665  -6.665
   68   1HG   GLN   8          1HG       GLN   8   2.537  -7.041  -7.041
   69   2HG   GLN   8          2HG       GLN   8   1.126  -8.063  -8.063
   70   1HE2  GLN   8          2HE2      GLN   8  -1.018  -5.177  -5.177
   71   2HE2  GLN   8          1HE2      GLN   8  -0.892  -7.003  -7.003
   72    H    GLY   9           H        GLY   9   5.337  -7.819  -7.819
   73   1HA   GLY   9          1HA       GLY   9   5.134  -8.227  -8.227
   74   2HA   GLY   9          2HA       GLY   9   6.653  -8.231  -8.231
   75    HA   PRO  10           HA       PRO  10   4.962  -3.767  -3.767
   76   1HB   PRO  10          2HB       PRO  10   3.057  -2.685  -2.685
   77   2HB   PRO  10          1HB       PRO  10   2.667  -3.764  -3.764
   78   1HG   PRO  10          1HG       PRO  10   3.084  -4.531  -4.531
   79   2HG   PRO  10          2HG       PRO  10   1.686  -4.928  -4.928
   80   1HD   PRO  10          1HD       PRO  10   3.724  -6.728  -6.728
   81   2HD   PRO  10          2HD       PRO  10   2.956  -6.573  -6.573
   82    H    LYS  11           H        LYS  11   5.510  -1.699  -1.699
   83    HA   LYS  11           HA       LYS  11   6.532  -1.095  -1.095
   84   1HB   LYS  11          1HB       LYS  11   8.118  -0.329  -0.329
   85   2HB   LYS  11          2HB       LYS  11   8.373   0.356   0.356
   86   1HG   LYS  11          1HG       LYS  11  10.014  -1.221  -1.221
   87   2HG   LYS  11          2HG       LYS  11   8.705  -2.163  -2.163
   88   1HD   LYS  11          1HD       LYS  11   8.378  -2.891  -2.891
   89   2HD   LYS  11          2HD       LYS  11  10.012  -2.299  -2.299
   90   1HE   LYS  11          1HE       LYS  11  10.338  -4.622  -4.622
   91   2HE   LYS  11          2HE       LYS  11  10.625  -3.923  -3.923
   92   1HZ   LYS  11          3HZ       LYS  11   8.044  -4.340  -4.340
   93   2HZ   LYS  11          1HZ       LYS  11   8.084  -5.255  -5.255
   94   3HZ   LYS  11          2HZ       LYS  11   8.980  -5.712  -5.712
   95    H    GLU  12           H        GLU  12   6.229   0.804   0.804
   96    HA   GLU  12           HA       GLU  12   5.000   3.085   3.085
   97   1HB   GLU  12          2HB       GLU  12   4.879   4.164   4.164
   98   2HB   GLU  12          1HB       GLU  12   6.448   3.458   3.458
   99   1HG   GLU  12          1HG       GLU  12   4.241   2.206   2.206
  100   2HG   GLU  12          2HG       GLU  12   5.346   3.429   3.429
  101    HE2  GLU  12           HE2      GLU  12   7.758   1.251   1.251
  102    HA   PRO  13           HA       PRO  13   0.554   1.655   1.655
  103   1HB   PRO  13          1HB       PRO  13   0.982  -1.298  -1.298
  104   2HB   PRO  13          2HB       PRO  13  -0.132  -0.605  -0.605
  105   1HG   PRO  13          1HG       PRO  13   2.156  -1.766  -1.766
  106   2HG   PRO  13          2HG       PRO  13   1.724  -0.180  -0.180
  107   1HD   PRO  13          1HD       PRO  13   3.634  -0.744  -0.744
  108   2HD   PRO  13          2HD       PRO  13   3.957   0.217   0.217
  109    H    PHE  14           H        PHE  14   2.493   0.386   0.386
  110    HA   PHE  14           HA       PHE  14   0.361  -0.778  -0.778
  111   1HB   PHE  14          1HB       PHE  14   2.954  -1.200  -1.200
  112   2HB   PHE  14          2HB       PHE  14   3.165   0.253   0.253
  113    HD1  PHE  14           HD2      PHE  14   1.002  -2.902  -2.902
  114    HD2  PHE  14           HD1      PHE  14   3.773  -0.311  -0.311
  115    HE1  PHE  14           HE2      PHE  14   0.963  -4.384  -4.384
  116    HE2  PHE  14           HE1      PHE  14   3.754  -1.828  -1.828
  117    HZ   PHE  14           HZ       PHE  14   2.342  -3.858  -3.858
  118    H    ARG  15           H        ARG  15   1.081   2.625   2.625
  119    HA   ARG  15           HA       ARG  15  -0.820   2.865   2.865
  120   1HB   ARG  15          1HB       ARG  15   1.566   4.590   4.590
  121   2HB   ARG  15          2HB       ARG  15   0.208   5.454   5.454
  122   1HG   ARG  15          1HG       ARG  15   1.827   5.286   5.286
  123   2HG   ARG  15          2HG       ARG  15   0.416   4.437   4.437
  124   1HD   ARG  15          1HD       ARG  15   2.922   3.038   3.038
  125   2HD   ARG  15          2HD       ARG  15   2.763   3.425   3.425
  126    HE   ARG  15           HE       ARG  15   0.843   1.561   1.561
  127   1HH1  ARG  15          2HH2      ARG  15   2.262   2.375   2.375
  128   2HH1  ARG  15          1HH2      ARG  15   1.569   0.870   0.870
  129   1HH2  ARG  15          1HH1      ARG  15   0.220  -0.148  -0.148
  130   2HH2  ARG  15          2HH1      ARG  15   0.474  -0.506  -0.506
  131    H    ASP  16           H        ASP  16  -0.856   3.199   3.199
  132    HA   ASP  16           HA       ASP  16  -3.558   4.442   4.442
  133   1HB   ASP  16          1HB       ASP  16  -2.008   4.979   4.979
  134   2HB   ASP  16          2HB       ASP  16  -1.987   3.262   3.262
  135    HD1  ASP  16           HD2      ASP  16  -5.064   5.595   5.595
  136    H    TYR  17           H        TYR  17  -2.234   1.574   1.574
  137    HA   TYR  17           HA       TYR  17  -4.583  -0.142  -0.142
  138   1HB   TYR  17          1HB       TYR  17  -2.809  -1.564  -1.564
  139   2HB   TYR  17          2HB       TYR  17  -1.688  -0.818  -0.818
  140    HD1  TYR  17           HD2      TYR  17  -4.635  -3.176  -3.176
  141    HD2  TYR  17           HD1      TYR  17  -1.213  -1.733  -1.733
  142    HE1  TYR  17           HE2      TYR  17  -5.079  -4.782  -4.782
  143    HE2  TYR  17           HE1      TYR  17  -1.677  -3.323  -3.323
  144    HH   TYR  17           HH       TYR  17  -4.627  -5.266  -5.266
  145    H    VAL  18           H        VAL  18  -2.407   0.648   0.648
  146    HA   VAL  18           HA       VAL  18  -4.151  -0.048  -0.048
  147    HB   VAL  18           HB       VAL  18  -1.796   1.065   1.065
  148   1HG1  VAL  18          2HG1      VAL  18  -2.637   3.309   3.309
  149   2HG1  VAL  18          3HG1      VAL  18  -3.170   3.689   3.689
  150   3HG1  VAL  18          1HG1      VAL  18  -1.432   3.335   3.335
  151   1HG2  VAL  18          2HG2      VAL  18  -3.012   0.327   0.327
  152   2HG2  VAL  18          3HG2      VAL  18  -1.990   1.783   1.783
  153   3HG2  VAL  18          1HG2      VAL  18  -3.754   1.947   1.947
  154    H    ASP  19           H        ASP  19  -4.530   2.999   2.999
  155    HA   ASP  19           HA       ASP  19  -6.413   3.915   3.915
  156   1HB   ASP  19          1HB       ASP  19  -4.839   5.468   5.468
  157   2HB   ASP  19          2HB       ASP  19  -5.822   5.173   5.173
  158    HD2  ASP  19           HD2      ASP  19  -7.815   7.808   7.808
  159    H    ARG  20           H        ARG  20  -6.645   2.323   2.323
  160    HA   ARG  20           HA       ARG  20  -9.468   2.535   2.535
  161   1HB   ARG  20          1HB       ARG  20  -7.466   2.793   2.793
  162   2HB   ARG  20          2HB       ARG  20  -6.881   1.234   1.234
  163   1HG   ARG  20          1HG       ARG  20  -8.591   0.027   0.027
  164   2HG   ARG  20          2HG       ARG  20  -9.730   1.357   1.357
  165   1HD   ARG  20          1HD       ARG  20  -8.962   1.116   1.116
  166   2HD   ARG  20          2HD       ARG  20  -8.457   2.655   2.655
  167    HE   ARG  20           HE       ARG  20  -6.094   1.842   1.842
  168   1HH1  ARG  20          2HH2      ARG  20  -8.071  -0.472  -0.472
  169   2HH1  ARG  20          1HH2      ARG  20  -6.631  -1.153  -1.153
  170   1HH2  ARG  20          1HH1      ARG  20  -4.591   1.270   1.270
  171   2HH2  ARG  20          2HH1      ARG  20  -4.714  -0.221  -0.221
  172    H    PHE  21           H        PHE  21  -7.089   0.072   0.072
  173    HA   PHE  21           HA       PHE  21  -8.985  -1.994  -1.994
  174   1HB   PHE  21          1HB       PHE  21  -6.352  -2.008  -2.008
  175   2HB   PHE  21          2HB       PHE  21  -6.341  -1.219  -1.219
  176    HD1  PHE  21           HD1      PHE  21  -7.603  -4.334  -4.334
  177    HD2  PHE  21           HD2      PHE  21  -6.395  -2.581  -2.581
  178    HE1  PHE  21           HE1      PHE  21  -7.607  -6.561  -6.561
  179    HE2  PHE  21           HE2      PHE  21  -6.405  -4.810  -4.810
  180    HZ   PHE  21           HZ       PHE  21  -7.002  -6.804  -6.804
  181    H    TYR  22           H        TYR  22  -7.653   0.611   0.611
  182    HA   TYR  22           HA       TYR  22  -9.485   0.206   0.206
  183   1HB   TYR  22          1HB       TYR  22  -7.283   1.538   1.538
  184   2HB   TYR  22          2HB       TYR  22  -8.028   2.794   2.794
  185    HD1  TYR  22           HD2      TYR  22  -8.385   0.945   0.945
  186    HD2  TYR  22           HD1      TYR  22  -9.182   4.587   4.587
  187    HE1  TYR  22           HE2      TYR  22  -9.238   1.978   1.978
  188    HE2  TYR  22           HE1      TYR  22 -10.036   5.610   5.610
  189    HH   TYR  22           HH       TYR  22 -10.196   5.379   5.379
  190    H    LYS  23           H        LYS  23 -10.079   2.414   2.414
  191    HA   LYS  23           HA       LYS  23 -12.794   2.952   2.952
  192   1HB   LYS  23          2HB       LYS  23 -11.509   4.523   4.523
  193   2HB   LYS  23          1HB       LYS  23 -11.527   3.239   3.239
  194   1HG   LYS  23          1HG       LYS  23 -13.123   5.230   5.230
  195   2HG   LYS  23          2HG       LYS  23 -13.754   3.622   3.622
  196   1HD   LYS  23          1HD       LYS  23 -15.433   5.033   5.033
  197   2HD   LYS  23          2HD       LYS  23 -15.046   3.650   3.650
  198   1HE   LYS  23          1HE       LYS  23 -13.476   5.215   5.215
  199   2HE   LYS  23          2HE       LYS  23 -14.131   6.571   6.571
  200   1HZ   LYS  23          3HZ       LYS  23 -15.869   4.563   4.563
  201   2HZ   LYS  23          1HZ       LYS  23 -15.470   6.040   6.040
  202   3HZ   LYS  23          2HZ       LYS  23 -16.411   5.919   5.919
  203    H    THR  24           H        THR  24 -11.552   0.478   0.478
  204    HA   THR  24           HA       THR  24 -14.061  -0.874  -0.874
  205    HB   THR  24           HB       THR  24 -11.404  -2.193  -2.193
  206    HG1  THR  24           HG1      THR  24 -11.255  -0.785  -0.785
  207   1HG2  THR  24          2HG2      THR  24 -13.237  -3.928  -3.928
  208   2HG2  THR  24          3HG2      THR  24 -13.844  -3.250  -3.250
  209   3HG2  THR  24          1HG2      THR  24 -12.247  -4.036  -4.036
  210    H    LEU  25           H        LEU  25 -11.807  -1.606  -1.606
  211    HA   LEU  25           HA       LEU  25 -13.774  -2.911  -2.911
  212   1HB   LEU  25          1HB       LEU  25 -11.258  -2.836  -2.836
  213   2HB   LEU  25          2HB       LEU  25 -11.337  -1.156  -1.156
  214    HG   LEU  25           HG       LEU  25 -10.981  -2.862  -2.862
  215   1HD1  LEU  25          1HD2      LEU  25 -11.814  -0.534  -0.534
  216   2HD1  LEU  25          2HD2      LEU  25 -13.480  -1.153  -1.153
  217   3HD1  LEU  25          3HD2      LEU  25 -12.304  -1.760  -1.760
  218   1HD2  LEU  25          3HD1      LEU  25 -12.605  -4.632  -4.632
  219   2HD2  LEU  25          1HD1      LEU  25 -12.842  -4.200  -4.200
  220   3HD2  LEU  25          2HD1      LEU  25 -13.966  -3.592  -3.592
  221    H    ARG  26           H        ARG  26 -13.125   0.726   0.726
  222    HA   ARG  26           HA       ARG  26 -15.623   1.032   1.032
  223   1HB   ARG  26          1HB       ARG  26 -13.875   3.224   3.224
  224   2HB   ARG  26          2HB       ARG  26 -15.134   3.519   3.519
  225   1HG   ARG  26          2HG       ARG  26 -12.391   2.257   2.257
  226   2HG   ARG  26          1HG       ARG  26 -12.943   3.863   3.863
  227   1HD   ARG  26          1HD       ARG  26 -14.686   2.776   2.776
  228   2HD   ARG  26          2HD       ARG  26 -13.961   1.198   1.198
  229    HE   ARG  26           HE       ARG  26 -11.797   3.046   3.046
  230   1HH1  ARG  26          2HH2      ARG  26 -14.329   1.243   1.243
  231   2HH1  ARG  26          1HH2      ARG  26 -13.615   1.654   1.654
  232   1HH2  ARG  26          1HH1      ARG  26 -11.018   3.390   3.390
  233   2HH2  ARG  26          2HH1      ARG  26 -11.780   2.750   2.750
  234    H    ALA  27           H        ALA  27 -15.637  -0.042  -0.042
  235    HA   ALA  27           HA       ALA  27 -18.368   1.111   1.111
  236   1HB   ALA  27          3HB       ALA  27 -16.943   1.648   1.648
  237   2HB   ALA  27          1HB       ALA  27 -16.573  -0.080  -0.080
  238   3HB   ALA  27          2HB       ALA  27 -18.237   0.514   0.514
  239    H    GLU  28           H        GLU  28 -16.460  -1.997  -1.997
  240    HA   GLU  28           HA       GLU  28 -18.689  -3.807  -3.807
  241   1HB   GLU  28          1HB       GLU  28 -15.935  -3.846  -3.846
  242   2HB   GLU  28          2HB       GLU  28 -17.031  -5.214  -5.214
  243   1HG   GLU  28          2HG       GLU  28 -16.859  -5.377  -5.377
  244   2HG   GLU  28          1HG       GLU  28 -15.790  -4.001  -4.001
  245    HE2  GLU  28           HE2      GLU  28 -14.355  -7.549  -7.549
  246    H    GLN  29           H        GLN  29 -17.072  -1.966  -1.966
  247    HA   GLN  29           HA       GLN  29 -19.064  -2.652  -2.652
  248   1HB   GLN  29          2HB       GLN  29 -17.229  -0.160  -0.160
  249   2HB   GLN  29          1HB       GLN  29 -18.208  -0.629  -0.629
  250   1HG   GLN  29          2HG       GLN  29 -16.846  -2.913  -2.913
  251   2HG   GLN  29          1HG       GLN  29 -15.739  -2.052  -2.052
  252   1HE2  GLN  29          2HE2      GLN  29 -15.079  -1.519  -1.519
  253   2HE2  GLN  29          1HE2      GLN  29 -15.983  -2.926  -2.926
  254    H    ALA  30           H        ALA  30 -18.758   0.230   0.230
  255    HA   ALA  30           HA       ALA  30 -21.414   1.252   1.252
  256   1HB   ALA  30          3HB       ALA  30 -19.460   2.833   2.833
  257   2HB   ALA  30          1HB       ALA  30 -19.284   2.476   2.476
  258   3HB   ALA  30          2HB       ALA  30 -20.735   3.298   3.298
  259    H    SER  31           H        SER  31 -22.204  -0.863  -0.863
  260    HA   SER  31           HA       SER  31 -23.096  -0.439  -0.439
  261   1HB   SER  31          1HB       SER  31 -22.407  -3.005  -3.005
  262   2HB   SER  31          2HB       SER  31 -23.448  -3.054  -3.054
  263    HG   SER  31           HG       SER  31 -20.832  -1.871  -1.871
  264    HXT  SER  31           HO        OH  32 -26.300  -0.177  -0.177

  Start of MODEL    5
    1   1H    CYS   1          3H        CYS   1 -14.988   5.084   5.084
    2   2H    CYS   1          1H        CYS   1 -14.372   6.616   6.616
    3   3H    CYS   1          2H        CYS   1 -13.997   5.539   5.539
    4    HA   CYS   1           HA       CYS   1 -12.075   5.646   5.646
    5   1HB   CYS   1          1HB       CYS   1 -14.187   5.174   5.174
    6   2HB   CYS   1          2HB       CYS   1 -12.442   5.280   5.280
    7    HG   CYS   1           HG       CYS   1 -13.548   7.508   7.508
    8    H    SER   2           H        SER   2 -10.827   3.763   3.763
    9    HA   SER   2           HA       SER   2 -12.129   1.083   1.083
   10   1HB   SER   2          2HB       SER   2  -9.743   0.348   0.348
   11   2HB   SER   2          1HB       SER   2 -10.113   1.723   1.723
   12    HG   SER   2           HG       SER   2  -8.106   1.953   1.953
   13    H    ILE   3           H        ILE   3 -11.044  -0.730  -0.730
   14    HA   ILE   3           HA       ILE   3 -11.481  -0.495  -0.495
   15    HB   ILE   3           HB       ILE   3 -12.317  -2.479  -2.479
   16   1HG1  ILE   3          1HG1      ILE   3 -11.582  -4.247  -4.247
   17   2HG1  ILE   3          2HG1      ILE   3 -10.466  -3.092  -3.092
   18   1HG2  ILE   3          3HG2      ILE   3 -10.192  -2.829  -2.829
   19   2HG2  ILE   3          1HG2      ILE   3  -9.368  -3.413  -3.413
   20   3HG2  ILE   3          2HG2      ILE   3 -10.767  -4.303  -4.303
   21   1HD1  ILE   3          2HD1      ILE   3 -13.552  -2.725  -2.725
   22   2HD1  ILE   3          3HD1      ILE   3 -12.645  -3.264  -3.264
   23   3HD1  ILE   3          1HD1      ILE   3 -12.430  -1.612  -1.612
   24    H    LEU   4           H        LEU   4  -8.643  -0.900  -0.900
   25    HA   LEU   4           HA       LEU   4  -6.734  -0.638  -0.638
   26   1HB   LEU   4          1HB       LEU   4  -6.179  -0.764  -0.764
   27   2HB   LEU   4          2HB       LEU   4  -4.948  -0.714  -0.714
   28    HG   LEU   4           HG       LEU   4  -6.960  -3.016  -3.016
   29   1HD1  LEU   4          2HD2      LEU   4  -5.352  -2.841  -2.841
   30   2HD1  LEU   4          3HD2      LEU   4  -3.973  -2.860  -2.860
   31   3HD1  LEU   4          1HD2      LEU   4  -5.025  -4.286  -4.286
   32   1HD2  LEU   4          3HD1      LEU   4  -4.455  -2.826  -2.826
   33   2HD2  LEU   4          1HD1      LEU   4  -6.151  -2.904  -2.904
   34   3HD2  LEU   4          2HD1      LEU   4  -5.423  -4.293  -4.293
   35    H    ASP   5           H        ASP   5  -8.191   1.357   1.357
   36    HA   ASP   5           HA       ASP   5  -6.778   3.857   3.857
   37   1HB   ASP   5          1HB       ASP   5  -9.091   3.273   3.273
   38   2HB   ASP   5          2HB       ASP   5  -9.792   3.496   3.496
   39    HD2  ASP   5           HD2      ASP   5  -9.843   6.904   6.904
   40    H    ILE   6           H        ILE   6  -9.118   3.404   3.404
   41    HA   ILE   6           HA       ILE   6  -7.419   5.126   5.126
   42    HB   ILE   6           HB       ILE   6 -10.231   4.007   4.007
   43   1HG1  ILE   6          1HG1      ILE   6  -9.292   6.724   6.724
   44   2HG1  ILE   6          2HG1      ILE   6 -10.294   5.541   5.541
   45   1HG2  ILE   6          3HG2      ILE   6  -8.843   4.586   4.586
   46   2HG2  ILE   6          1HG2      ILE   6  -8.529   6.205   6.205
   47   3HG2  ILE   6          2HG2      ILE   6 -10.175   5.715   5.715
   48   1HD1  ILE   6          2HD1      ILE   6 -12.142   5.901   5.901
   49   2HD1  ILE   6          3HD1      ILE   6 -11.172   7.233   7.233
   50   3HD1  ILE   6          1HD1      ILE   6 -11.743   7.337   7.337
   51    H    ARG   7           H        ARG   7  -5.926   3.427   3.427
   52    HA   ARG   7           HA       ARG   7  -6.081   1.013   1.013
   53   1HB   ARG   7          2HB       ARG   7  -3.715   2.554   2.554
   54   2HB   ARG   7          1HB       ARG   7  -3.518   0.989   0.989
   55   1HG   ARG   7          1HG       ARG   7  -4.656  -0.211  -0.211
   56   2HG   ARG   7          2HG       ARG   7  -5.688   1.098   1.098
   57   1HD   ARG   7          1HD       ARG   7  -2.644   1.068   1.068
   58   2HD   ARG   7          2HD       ARG   7  -3.866   0.384   0.384
   59    HE   ARG   7           HE       ARG   7  -4.731   3.106   3.106
   60   1HH1  ARG   7          2HH2      ARG   7  -2.227   1.541   1.541
   61   2HH1  ARG   7          1HH2      ARG   7  -2.107   2.958   2.958
   62   1HH2  ARG   7          1HH1      ARG   7  -4.548   4.663   4.663
   63   2HH2  ARG   7          2HH1      ARG   7  -3.381   4.658   4.658
   64    H    GLN   8           H        GLN   8  -6.607   3.394   3.394
   65    HA   GLN   8           HA       GLN   8  -4.495   3.971   3.971
   66   1HB   GLN   8          1HB       GLN   8  -7.539   4.417   4.417
   67   2HB   GLN   8          2HB       GLN   8  -6.402   5.030   5.030
   68   1HG   GLN   8          1HG       GLN   8  -5.153   6.298   6.298
   69   2HG   GLN   8          2HG       GLN   8  -6.409   5.804   5.804
   70   1HE2  GLN   8          2HE2      GLN   8  -7.277   8.841   8.841
   71   2HE2  GLN   8          1HE2      GLN   8  -5.691   7.912   7.912
   72    H    GLY   9           H        GLY   9  -3.694   2.072   2.072
   73   1HA   GLY   9          1HA       GLY   9  -4.838   1.078   1.078
   74   2HA   GLY   9          2HA       GLY   9  -4.572  -0.145  -0.145
   75    HA   PRO  10           HA       PRO  10  -0.439   1.013   1.013
   76   1HB   PRO  10          2HB       PRO  10  -0.345  -0.697  -0.697
   77   2HB   PRO  10          1HB       PRO  10  -1.101   0.900   0.900
   78   1HG   PRO  10          1HG       PRO  10  -2.466  -1.824  -1.824
   79   2HG   PRO  10          2HG       PRO  10  -2.954  -0.533  -0.533
   80   1HD   PRO  10          1HD       PRO  10  -4.158  -0.831  -0.831
   81   2HD   PRO  10          2HD       PRO  10  -3.892   0.798   0.798
   82    H    LYS  11           H        LYS  11   1.451  -0.076  -0.076
   83    HA   LYS  11           HA       LYS  11   1.640  -2.970  -2.970
   84   1HB   LYS  11          1HB       LYS  11   2.911  -0.787  -0.787
   85   2HB   LYS  11          2HB       LYS  11   3.209  -2.503  -2.503
   86   1HG   LYS  11          1HG       LYS  11   1.674  -2.470  -2.470
   87   2HG   LYS  11          2HG       LYS  11   0.540  -2.702  -2.702
   88   1HD   LYS  11          1HD       LYS  11   0.300  -0.111  -0.111
   89   2HD   LYS  11          2HD       LYS  11   1.279  -0.022  -0.022
   90   1HE   LYS  11          1HE       LYS  11  -0.446  -1.337  -1.337
   91   2HE   LYS  11          2HE       LYS  11  -1.372  -1.638  -1.638
   92   1HZ   LYS  11          1HZ       LYS  11  -1.625   0.795   0.795
   93   2HZ   LYS  11          2HZ       LYS  11  -0.834   1.129   1.129
   94   3HZ   LYS  11          3HZ       LYS  11  -2.304   0.389   0.389
   95    H    GLU  12           H        GLU  12   3.858  -0.105  -0.105
   96    HA   GLU  12           HA       GLU  12   5.956  -1.641  -1.641
   97   1HB   GLU  12          2HB       GLU  12   5.681   1.378   1.378
   98   2HB   GLU  12          1HB       GLU  12   7.081   0.674   0.674
   99   1HG   GLU  12          1HG       GLU  12   7.557  -0.786  -0.786
  100   2HG   GLU  12          2HG       GLU  12   6.122  -0.195  -0.195
  101    HE1  GLU  12           HE2      GLU  12   7.503   2.814   2.814
  102    HA   PRO  13           HA       PRO  13   5.054   0.611   0.611
  103   1HB   PRO  13          1HB       PRO  13   2.657   2.400   2.400
  104   2HB   PRO  13          2HB       PRO  13   4.356   2.874   2.874
  105   1HG   PRO  13          1HG       PRO  13   3.034   3.567   3.567
  106   2HG   PRO  13          2HG       PRO  13   4.763   3.125   3.125
  107   1HD   PRO  13          1HD       PRO  13   2.363   1.209   1.209
  108   2HD   PRO  13          2HD       PRO  13   3.625   1.553   1.553
  109    H    PHE  14           H        PHE  14   2.685   1.289   1.289
  110    HA   PHE  14           HA       PHE  14   0.513  -0.346  -0.346
  111   1HB   PHE  14          1HB       PHE  14   0.627  -2.116  -2.116
  112   2HB   PHE  14          2HB       PHE  14   2.202  -2.172  -2.172
  113    HD1  PHE  14           HD2      PHE  14   3.815  -0.201  -0.201
  114    HD2  PHE  14           HD1      PHE  14   0.843  -3.089  -3.089
  115    HE1  PHE  14           HE2      PHE  14   4.869  -0.409  -0.409
  116    HE2  PHE  14           HE1      PHE  14   1.934  -3.308  -3.308
  117    HZ   PHE  14           HZ       PHE  14   3.946  -1.970  -1.970
  118    H    ARG  15           H        ARG  15   0.519   2.123   2.123
  119    HA   ARG  15           HA       ARG  15  -0.856   2.831   2.831
  120   1HB   ARG  15          1HB       ARG  15   1.796   3.839   3.839
  121   2HB   ARG  15          2HB       ARG  15   0.698   5.131   5.131
  122   1HG   ARG  15          1HG       ARG  15   1.373   5.680   5.680
  123   2HG   ARG  15          2HG       ARG  15  -0.115   4.888   4.888
  124   1HD   ARG  15          1HD       ARG  15   2.753   3.703   3.703
  125   2HD   ARG  15          2HD       ARG  15   1.801   4.361   4.361
  126    HE   ARG  15           HE       ARG  15   0.670   1.899   1.899
  127   1HH1  ARG  15          2HH2      ARG  15   2.304   3.032   3.032
  128   2HH1  ARG  15          1HH2      ARG  15   2.016   1.429   1.429
  129   1HH2  ARG  15          1HH1      ARG  15   0.450   0.180   0.180
  130   2HH2  ARG  15          2HH1      ARG  15   1.005  -0.120  -0.120
  131    H    ASP  16           H        ASP  16  -0.847   3.459   3.459
  132    HA   ASP  16           HA       ASP  16  -3.668   4.334   4.334
  133   1HB   ASP  16          1HB       ASP  16  -2.104   4.949   4.949
  134   2HB   ASP  16          2HB       ASP  16  -2.250   3.263   3.263
  135    HD1  ASP  16           HD2      ASP  16  -5.200   5.924   5.924
  136    H    TYR  17           H        TYR  17  -2.195   1.634   1.634
  137    HA   TYR  17           HA       TYR  17  -4.337  -0.320  -0.320
  138   1HB   TYR  17          1HB       TYR  17  -2.388  -1.655  -1.655
  139   2HB   TYR  17          2HB       TYR  17  -1.476  -0.775  -0.775
  140    HD1  TYR  17           HD1      TYR  17  -4.252  -3.324  -3.324
  141    HD2  TYR  17           HD2      TYR  17  -1.263  -1.490  -1.490
  142    HE1  TYR  17           HE1      TYR  17  -4.779  -4.882  -4.882
  143    HE2  TYR  17           HE2      TYR  17  -1.776  -3.037  -3.037
  144    HH   TYR  17           HH       TYR  17  -3.166  -4.686  -4.686
  145    H    VAL  18           H        VAL  18  -2.363   0.617   0.617
  146    HA   VAL  18           HA       VAL  18  -4.173  -0.032  -0.032
  147    HB   VAL  18           HB       VAL  18  -1.805   1.060   1.060
  148   1HG1  VAL  18          2HG1      VAL  18  -2.624   3.322   3.322
  149   2HG1  VAL  18          3HG1      VAL  18  -3.203   3.685   3.685
  150   3HG1  VAL  18          1HG1      VAL  18  -1.454   3.343   3.343
  151   1HG2  VAL  18          3HG2      VAL  18  -3.055   0.326   0.326
  152   2HG2  VAL  18          1HG2      VAL  18  -2.079   1.811   1.811
  153   3HG2  VAL  18          2HG2      VAL  18  -3.841   1.930   1.930
  154    H    ASP  19           H        ASP  19  -4.487   2.982   2.982
  155    HA   ASP  19           HA       ASP  19  -6.341   4.035   4.035
  156   1HB   ASP  19          2HB       ASP  19  -4.679   5.255   5.255
  157   2HB   ASP  19          1HB       ASP  19  -6.064   5.102   5.102
  158    HD1  ASP  19           HD2      ASP  19  -6.123   7.635   7.635
  159    H    ARG  20           H        ARG  20  -6.606   2.455   2.455
  160    HA   ARG  20           HA       ARG  20  -9.423   2.575   2.575
  161   1HB   ARG  20          1HB       ARG  20  -7.212   2.810   2.810
  162   2HB   ARG  20          2HB       ARG  20  -6.828   1.181   1.181
  163   1HG   ARG  20          1HG       ARG  20  -8.823   0.331   0.331
  164   2HG   ARG  20          2HG       ARG  20  -9.355   1.998   1.998
  165   1HD   ARG  20          1HD       ARG  20  -7.089   2.493   2.493
  166   2HD   ARG  20          2HD       ARG  20  -6.662   0.786   0.786
  167    HE   ARG  20           HE       ARG  20  -9.085   0.580   0.580
  168   1HH1  ARG  20          2HH2      ARG  20  -6.280   2.651   2.651
  169   2HH1  ARG  20          1HH2      ARG  20  -6.635   2.539   2.539
  170   1HH2  ARG  20          1HH1      ARG  20  -9.340   0.547   0.547
  171   2HH2  ARG  20          2HH1      ARG  20  -8.174   1.455   1.455
  172    H    PHE  21           H        PHE  21  -7.052   0.136   0.136
  173    HA   PHE  21           HA       PHE  21  -8.911  -1.932  -1.932
  174   1HB   PHE  21          1HB       PHE  21  -6.303  -1.929  -1.929
  175   2HB   PHE  21          2HB       PHE  21  -6.302  -1.001  -1.001
  176    HD1  PHE  21           HD1      PHE  21  -7.375  -4.326  -4.326
  177    HD2  PHE  21           HD2      PHE  21  -6.438  -2.097  -2.097
  178    HE1  PHE  21           HE1      PHE  21  -7.347  -6.412  -6.412
  179    HE2  PHE  21           HE2      PHE  21  -6.414  -4.192  -4.192
  180    HZ   PHE  21           HZ       PHE  21  -6.861  -6.350  -6.350
  181    H    TYR  22           H        TYR  22  -7.673   0.755   0.755
  182    HA   TYR  22           HA       TYR  22  -9.499   0.266   0.266
  183   1HB   TYR  22          1HB       TYR  22  -7.264   1.619   1.619
  184   2HB   TYR  22          2HB       TYR  22  -8.128   2.948   2.948
  185    HD1  TYR  22           HD1      TYR  22  -8.157   0.639   0.639
  186    HD2  TYR  22           HD2      TYR  22  -9.150   4.551   4.551
  187    HE1  TYR  22           HE1      TYR  22  -8.742   1.360   1.360
  188    HE2  TYR  22           HE2      TYR  22  -9.707   5.270   5.270
  189    HH   TYR  22           HH       TYR  22  -9.092   3.221   3.221
  190    H    LYS  23           H        LYS  23 -10.148   2.514   2.514
  191    HA   LYS  23           HA       LYS  23 -12.843   3.033   3.033
  192   1HB   LYS  23          2HB       LYS  23 -11.657   4.662   4.662
  193   2HB   LYS  23          1HB       LYS  23 -11.619   3.383   3.383
  194   1HG   LYS  23          1HG       LYS  23 -13.288   5.072   5.072
  195   2HG   LYS  23          2HG       LYS  23 -14.123   3.589   3.589
  196   1HD   LYS  23          1HD       LYS  23 -14.021   4.926   4.926
  197   2HD   LYS  23          2HD       LYS  23 -14.054   6.251   6.251
  198   1HE   LYS  23          1HE       LYS  23 -16.330   5.860   5.860
  199   2HE   LYS  23          2HE       LYS  23 -16.109   5.173   5.173
  200   1HZ   LYS  23          1HZ       LYS  23 -15.660   2.930   2.930
  201   2HZ   LYS  23          2HZ       LYS  23 -16.395   3.653   3.653
  202   3HZ   LYS  23          3HZ       LYS  23 -17.234   3.419   3.419
  203    H    THR  24           H        THR  24 -11.631   0.630   0.630
  204    HA   THR  24           HA       THR  24 -14.106  -0.803  -0.803
  205    HB   THR  24           HB       THR  24 -11.375  -1.990  -1.990
  206    HG1  THR  24           HG1      THR  24 -11.303  -0.616  -0.616
  207   1HG2  THR  24          3HG2      THR  24 -13.838  -3.160  -3.160
  208   2HG2  THR  24          1HG2      THR  24 -12.195  -3.841  -3.841
  209   3HG2  THR  24          2HG2      THR  24 -13.075  -3.842  -3.842
  210    H    LEU  25           H        LEU  25 -11.712  -1.490  -1.490
  211    HA   LEU  25           HA       LEU  25 -13.449  -2.950  -2.950
  212   1HB   LEU  25          1HB       LEU  25 -10.942  -2.633  -2.633
  213   2HB   LEU  25          2HB       LEU  25 -11.161  -0.967  -0.967
  214    HG   LEU  25           HG       LEU  25 -10.479  -2.638  -2.638
  215   1HD1  LEU  25          1HD2      LEU  25 -11.346  -0.372  -0.372
  216   2HD1  LEU  25          2HD2      LEU  25 -12.995  -1.022  -1.022
  217   3HD1  LEU  25          3HD2      LEU  25 -11.747  -1.594  -1.594
  218   1HD2  LEU  25          2HD1      LEU  25 -12.053  -4.515  -4.515
  219   2HD2  LEU  25          3HD1      LEU  25 -12.136  -4.067  -4.067
  220   3HD2  LEU  25          1HD1      LEU  25 -13.424  -3.551  -3.551
  221    H    ARG  26           H        ARG  26 -13.157   0.737   0.737
  222    HA   ARG  26           HA       ARG  26 -15.592   0.807   0.807
  223   1HB   ARG  26          1HB       ARG  26 -13.936   2.999   2.999
  224   2HB   ARG  26          2HB       ARG  26 -15.383   3.388   3.388
  225   1HG   ARG  26          1HG       ARG  26 -14.398   2.372   2.372
  226   2HG   ARG  26          2HG       ARG  26 -12.883   2.073   2.073
  227   1HD   ARG  26          1HD       ARG  26 -12.584   4.494   4.494
  228   2HD   ARG  26          2HD       ARG  26 -14.108   4.912   4.912
  229    HE   ARG  26           HE       ARG  26 -11.590   3.883   3.883
  230   1HH1  ARG  26          2HH2      ARG  26 -14.976   4.635   4.635
  231   2HH1  ARG  26          1HH2      ARG  26 -14.713   4.841   4.841
  232   1HH2  ARG  26          1HH1      ARG  26 -11.334   4.246   4.246
  233   2HH2  ARG  26          2HH1      ARG  26 -12.734   4.612   4.612
  234    H    ALA  27           H        ALA  27 -15.602  -0.224  -0.224
  235    HA   ALA  27           HA       ALA  27 -18.460   0.580   0.580
  236   1HB   ALA  27          2HB       ALA  27 -17.119   0.880   0.880
  237   2HB   ALA  27          3HB       ALA  27 -16.632  -0.827  -0.827
  238   3HB   ALA  27          1HB       ALA  27 -18.336  -0.395  -0.395
  239    H    GLU  28           H        GLU  28 -16.291  -2.323  -2.323
  240    HA   GLU  28           HA       GLU  28 -18.360  -4.270  -4.270
  241   1HB   GLU  28          1HB       GLU  28 -15.507  -4.025  -4.025
  242   2HB   GLU  28          2HB       GLU  28 -16.490  -5.469  -5.469
  243   1HG   GLU  28          2HG       GLU  28 -16.475  -5.782  -5.782
  244   2HG   GLU  28          1HG       GLU  28 -15.604  -4.289  -4.289
  245    HE2  GLU  28           HE2      GLU  28 -13.641  -7.563  -7.563
  246    H    GLN  29           H        GLN  29 -16.623  -2.195  -2.195
  247    HA   GLN  29           HA       GLN  29 -18.498  -2.673  -2.673
  248   1HB   GLN  29          2HB       GLN  29 -16.779  -0.158  -0.158
  249   2HB   GLN  29          1HB       GLN  29 -17.641  -0.488  -0.488
  250   1HG   GLN  29          2HG       GLN  29 -16.190  -2.592  -2.592
  251   2HG   GLN  29          1HG       GLN  29 -15.241  -2.082  -2.082
  252   1HE2  GLN  29          2HE2      GLN  29 -14.164  -0.447  -0.447
  253   2HE2  GLN  29          1HE2      GLN  29 -15.177  -1.975  -1.975
  254    H    ALA  30           H        ALA  30 -18.626  -0.451  -0.451
  255    HA   ALA  30           HA       ALA  30 -19.870   1.530   1.530
  256   1HB   ALA  30          1HB       ALA  30 -21.685  -0.216  -0.216
  257   2HB   ALA  30          2HB       ALA  30 -22.103   0.024   0.024
  258   3HB   ALA  30          3HB       ALA  30 -22.339   1.343   1.343
  259    H    SER  31           H        SER  31 -18.374   2.701   2.701
  260    HA   SER  31           HA       SER  31 -19.718   4.435   4.435
  261   1HB   SER  31          1HB       SER  31 -17.528   2.411   2.411
  262   2HB   SER  31          2HB       SER  31 -17.998   3.811   3.811
  263    HG   SER  31           HG       SER  31 -20.081   2.189   2.189
  264    HXT  SER  31           HO        OH  32 -17.551   6.618   6.618

  Start of MODEL    6
    1   1H    CYS   1          2H        CYS   1  13.332   8.585   8.585
    2   2H    CYS   1          3H        CYS   1  14.254   9.718   9.718
    3   3H    CYS   1          1H        CYS   1  14.932   8.298   8.298
    4    HA   CYS   1           HA       CYS   1  15.581  10.081  10.081
    5   1HB   CYS   1          1HB       CYS   1  12.501  10.560  10.560
    6   2HB   CYS   1          2HB       CYS   1  13.621  11.399  11.399
    7    HG   CYS   1           HG       CYS   1  12.998  12.975  12.975
    8    H    SER   2           H        SER   2  14.647  10.137  10.137
    9    HA   SER   2           HA       SER   2  14.379   7.171   7.171
   10   1HB   SER   2          1HB       SER   2  15.866   7.724   7.724
   11   2HB   SER   2          2HB       SER   2  16.643   8.106   8.106
   12    HG   SER   2           HG       SER   2  16.910   9.781   9.781
   13    H    ILE   3           H        ILE   3  14.094  10.039  10.039
   14    HA   ILE   3           HA       ILE   3  11.992   8.836   8.836
   15    HB   ILE   3           HB       ILE   3  13.757  10.444  10.444
   16   1HG1  ILE   3          1HG1      ILE   3  12.295  11.707  11.707
   17   2HG1  ILE   3          2HG1      ILE   3  10.858  11.185  11.185
   18   1HG2  ILE   3          3HG2      ILE   3  13.470  12.234  12.234
   19   2HG2  ILE   3          1HG2      ILE   3  11.891  12.670  12.670
   20   3HG2  ILE   3          2HG2      ILE   3  13.391  12.885  12.885
   21   1HD1  ILE   3          1HD1      ILE   3  12.918   9.283   9.283
   22   2HD1  ILE   3          2HD1      ILE   3  11.359   9.787   9.787
   23   3HD1  ILE   3          3HD1      ILE   3  11.388   8.770   8.770
   24    H    LEU   4           H        LEU   4  11.469  11.283  11.283
   25    HA   LEU   4           HA       LEU   4   8.434  10.877  10.877
   26   1HB   LEU   4          1HB       LEU   4   8.182  12.832  12.832
   27   2HB   LEU   4          2HB       LEU   4   9.088  13.212  13.212
   28    HG   LEU   4           HG       LEU   4  11.254  13.167  13.167
   29   1HD1  LEU   4          3HD2      LEU   4   9.328  12.979  12.979
   30   2HD1  LEU   4          1HD2      LEU   4  11.046  13.434  13.434
   31   3HD1  LEU   4          2HD2      LEU   4  10.595  11.806  11.806
   32   1HD2  LEU   4          2HD1      LEU   4  10.060  15.294  15.294
   33   2HD2  LEU   4          3HD1      LEU   4  10.826  15.406  15.406
   34   3HD2  LEU   4          1HD1      LEU   4   9.067  15.156  15.156
   35    H    ASP   5           H        ASP   5  10.260   8.955   8.955
   36    HA   ASP   5           HA       ASP   5   8.929   8.236   8.236
   37   1HB   ASP   5          1HB       ASP   5  11.470   8.867   8.867
   38   2HB   ASP   5          2HB       ASP   5  11.783   7.381   7.381
   39    HD1  ASP   5           HD2      ASP   5  10.737   5.490   5.490
   40    H    ILE   6           H        ILE   6  10.767   6.513   6.513
   41    HA   ILE   6           HA       ILE   6   8.451   4.544   4.544
   42    HB   ILE   6           HB       ILE   6  11.090   4.704   4.704
   43   1HG1  ILE   6          2HG1      ILE   6  10.288   3.009   3.009
   44   2HG1  ILE   6          1HG1      ILE   6  11.663   4.064   4.064
   45   1HG2  ILE   6          1HG2      ILE   6   9.055   3.695   3.695
   46   2HG2  ILE   6          2HG2      ILE   6   8.817   2.562   2.562
   47   3HG2  ILE   6          3HG2      ILE   6  10.275   2.469   2.469
   48   1HD1  ILE   6          2HD1      ILE   6  12.664   2.497   2.497
   49   2HD1  ILE   6          3HD1      ILE   6  11.342   1.351   1.351
   50   3HD1  ILE   6          1HD1      ILE   6  12.499   1.794   1.794
   51    H    ARG   7           H        ARG   7   7.298   6.477   6.477
   52    HA   ARG   7           HA       ARG   7   7.512   8.260   8.260
   53   1HB   ARG   7          2HB       ARG   7   6.740   8.659   8.659
   54   2HB   ARG   7          1HB       ARG   7   5.217   7.873   7.873
   55   1HG   ARG   7          1HG       ARG   7   4.557   9.714   9.714
   56   2HG   ARG   7          2HG       ARG   7   6.195  10.316  10.316
   57   1HD   ARG   7          1HD       ARG   7   4.937  11.819  11.819
   58   2HD   ARG   7          2HD       ARG   7   6.202  11.048  11.048
   59    HE   ARG   7           HE       ARG   7   3.268  10.068  10.068
   60   1HH1  ARG   7          2HH2      ARG   7   6.162  10.807  10.807
   61   2HH1  ARG   7          1HH2      ARG   7   5.224  10.676  10.676
   62   1HH2  ARG   7          1HH1      ARG   7   2.314   9.848   9.848
   63   2HH2  ARG   7          2HH1      ARG   7   3.179  10.115  10.115
   64    H    GLN   8           H        GLN   8   6.631   5.338   5.338
   65    HA   GLN   8           HA       GLN   8   5.680   4.198   4.198
   66   1HB   GLN   8          1HB       GLN   8   6.065   7.059   7.059
   67   2HB   GLN   8          2HB       GLN   8   5.718   5.678   5.678
   68   1HG   GLN   8          2HG       GLN   8   7.746   4.477   4.477
   69   2HG   GLN   8          1HG       GLN   8   8.098   5.641   5.641
   70   1HE2  GLN   8          2HE2      GLN   8   9.749   7.803   7.803
   71   2HE2  GLN   8          1HE2      GLN   8   9.108   7.597   7.597
   72    H    GLY   9           H        GLY   9   3.683   3.883   3.883
   73   1HA   GLY   9          1HA       GLY   9   1.208   5.266   5.266
   74   2HA   GLY   9          2HA       GLY   9   1.193   4.410   4.410
   75    HA   PRO  10           HA       PRO  10  -0.238   1.019   1.019
   76   1HB   PRO  10          2HB       PRO  10  -0.248  -1.176  -1.176
   77   2HB   PRO  10          1HB       PRO  10  -1.308   0.217   0.217
   78   1HG   PRO  10          1HG       PRO  10   1.380  -0.311  -0.311
   79   2HG   PRO  10          2HG       PRO  10  -0.168   0.096   0.096
   80   1HD   PRO  10          1HD       PRO  10   1.764   2.013   2.013
   81   2HD   PRO  10          2HD       PRO  10   0.018   2.409   2.409
   82    H    LYS  11           H        LYS  11   0.304  -0.662  -0.662
   83    HA   LYS  11           HA       LYS  11   1.397  -2.503  -2.503
   84   1HB   LYS  11          1HB       LYS  11   2.703  -4.018  -4.018
   85   2HB   LYS  11          2HB       LYS  11   1.450  -3.485  -3.485
   86   1HG   LYS  11          1HG       LYS  11   3.092  -2.207  -2.207
   87   2HG   LYS  11          2HG       LYS  11   4.383  -2.514  -2.514
   88   1HD   LYS  11          1HD       LYS  11   4.120  -4.995  -4.995
   89   2HD   LYS  11          2HD       LYS  11   2.803  -4.689  -4.689
   90   1HE   LYS  11          1HE       LYS  11   4.423  -3.358  -3.358
   91   2HE   LYS  11          2HE       LYS  11   5.735  -3.692  -3.692
   92   1HZ   LYS  11          2HZ       LYS  11   4.149  -5.830  -5.830
   93   2HZ   LYS  11          3HZ       LYS  11   5.686  -5.392  -5.392
   94   3HZ   LYS  11          1HZ       LYS  11   5.374  -6.135  -6.135
   95    H    GLU  12           H        GLU  12   3.807  -0.222  -0.222
   96    HA   GLU  12           HA       GLU  12   5.816  -0.751  -0.751
   97   1HB   GLU  12          2HB       GLU  12   6.233   0.317   0.317
   98   2HB   GLU  12          1HB       GLU  12   5.403   1.769   1.769
   99   1HG   GLU  12          1HG       GLU  12   7.151   2.135   2.135
  100   2HG   GLU  12          2HG       GLU  12   7.914   0.594   0.594
  101    HE2  GLU  12           HE2      GLU  12   8.991   3.053   3.053
  102    HA   PRO  13           HA       PRO  13   3.842   3.151   3.151
  103   1HB   PRO  13          1HB       PRO  13   0.895   2.375   2.375
  104   2HB   PRO  13          2HB       PRO  13   1.566   4.014   4.014
  105   1HG   PRO  13          1HG       PRO  13   0.952   3.359   3.359
  106   2HG   PRO  13          2HG       PRO  13   2.556   4.084   4.084
  107   1HD   PRO  13          1HD       PRO  13   1.855   1.108   1.108
  108   2HD   PRO  13          2HD       PRO  13   3.154   2.044   2.044
  109    H    PHE  14           H        PHE  14   1.879   0.231   0.231
  110    HA   PHE  14           HA       PHE  14   0.348  -0.530  -0.530
  111   1HB   PHE  14          1HB       PHE  14   3.125  -0.483  -0.483
  112   2HB   PHE  14          2HB       PHE  14   1.758  -1.048  -1.048
  113    HD1  PHE  14           HD1      PHE  14   3.801  -1.795  -1.795
  114    HD2  PHE  14           HD2      PHE  14   0.749  -3.231  -3.231
  115    HE1  PHE  14           HE1      PHE  14   3.937  -4.025  -4.025
  116    HE2  PHE  14           HE2      PHE  14   0.889  -5.450  -5.450
  117    HZ   PHE  14           HZ       PHE  14   2.480  -5.857  -5.857
  118    H    ARG  15           H        ARG  15   1.300   2.612   2.612
  119    HA   ARG  15           HA       ARG  15  -0.891   2.777   2.777
  120   1HB   ARG  15          1HB       ARG  15   1.060   4.927   4.927
  121   2HB   ARG  15          2HB       ARG  15   0.058   5.082   5.082
  122   1HG   ARG  15          1HG       ARG  15   2.485   3.187   3.187
  123   2HG   ARG  15          2HG       ARG  15   2.449   4.730   4.730
  124   1HD   ARG  15          1HD       ARG  15   2.414   3.193   3.193
  125   2HD   ARG  15          2HD       ARG  15   0.755   3.803   3.803
  126    HE   ARG  15           HE       ARG  15   0.604   1.485   1.485
  127   1HH1  ARG  15          2HH2      ARG  15   1.676   1.971   1.971
  128   2HH1  ARG  15          1HH2      ARG  15   1.218   0.264   0.264
  129   1HH2  ARG  15          1HH1      ARG  15   0.118  -0.395  -0.395
  130   2HH2  ARG  15          2HH1      ARG  15   0.380  -1.020  -1.020
  131    H    ASP  16           H        ASP  16  -0.848   3.448   3.448
  132    HA   ASP  16           HA       ASP  16  -3.601   4.560   4.560
  133   1HB   ASP  16          1HB       ASP  16  -2.002   5.203   5.203
  134   2HB   ASP  16          2HB       ASP  16  -2.085   3.523   3.523
  135    HD1  ASP  16           HD2      ASP  16  -5.270   5.967   5.967
  136    H    TYR  17           H        TYR  17  -2.263   1.715   1.715
  137    HA   TYR  17           HA       TYR  17  -4.548  -0.017  -0.017
  138   1HB   TYR  17          1HB       TYR  17  -2.752  -1.391  -1.391
  139   2HB   TYR  17          2HB       TYR  17  -1.664  -0.750  -0.750
  140    HD1  TYR  17           HD2      TYR  17  -4.676  -3.022  -3.022
  141    HD2  TYR  17           HD1      TYR  17  -1.242  -1.862  -1.862
  142    HE1  TYR  17           HE2      TYR  17  -5.242  -4.693  -4.693
  143    HE2  TYR  17           HE1      TYR  17  -1.815  -3.533  -3.533
  144    HH   TYR  17           HH       TYR  17  -4.868  -5.287  -5.287
  145    H    VAL  18           H        VAL  18  -2.391   0.589   0.589
  146    HA   VAL  18           HA       VAL  18  -4.174  -0.142  -0.142
  147    HB   VAL  18           HB       VAL  18  -1.836   1.015   1.015
  148   1HG1  VAL  18          2HG1      VAL  18  -2.710   3.287   3.287
  149   2HG1  VAL  18          3HG1      VAL  18  -3.311   3.570   3.570
  150   3HG1  VAL  18          1HG1      VAL  18  -1.548   3.300   3.300
  151   1HG2  VAL  18          3HG2      VAL  18  -3.086   0.160   0.160
  152   2HG2  VAL  18          1HG2      VAL  18  -2.158   1.657   1.657
  153   3HG2  VAL  18          2HG2      VAL  18  -3.917   1.735   1.735
  154    H    ASP  19           H        ASP  19  -4.532   2.878   2.878
  155    HA   ASP  19           HA       ASP  19  -6.397   3.895   3.895
  156   1HB   ASP  19          2HB       ASP  19  -4.752   5.193   5.193
  157   2HB   ASP  19          1HB       ASP  19  -6.065   5.006   5.006
  158    HD2  ASP  19           HD2      ASP  19  -7.859   7.607   7.607
  159    H    ARG  20           H        ARG  20  -6.636   2.355   2.355
  160    HA   ARG  20           HA       ARG  20  -9.462   2.399   2.399
  161   1HB   ARG  20          1HB       ARG  20  -7.366   2.610   2.610
  162   2HB   ARG  20          2HB       ARG  20  -6.821   1.069   1.069
  163   1HG   ARG  20          1HG       ARG  20  -8.872  -0.050  -0.050
  164   2HG   ARG  20          2HG       ARG  20  -9.434   1.525   1.525
  165   1HD   ARG  20          1HD       ARG  20  -7.347   1.854   1.854
  166   2HD   ARG  20          2HD       ARG  20  -6.653   0.360   0.360
  167    HE   ARG  20           HE       ARG  20  -8.799   0.679   0.679
  168   1HH1  ARG  20          2HH2      ARG  20  -7.447  -1.617  -1.617
  169   2HH1  ARG  20          1HH2      ARG  20  -8.002  -3.047  -3.047
  170   1HH2  ARG  20          1HH1      ARG  20  -9.422  -0.945  -0.945
  171   2HH2  ARG  20          2HH1      ARG  20  -9.063  -2.651  -2.651
  172    H    PHE  21           H        PHE  21  -7.076  -0.013  -0.013
  173    HA   PHE  21           HA       PHE  21  -8.974  -2.055  -2.055
  174   1HB   PHE  21          1HB       PHE  21  -6.324  -2.052  -2.052
  175   2HB   PHE  21          2HB       PHE  21  -6.339  -1.293  -1.293
  176    HD1  PHE  21           HD2      PHE  21  -7.518  -4.392  -4.392
  177    HD2  PHE  21           HD1      PHE  21  -6.478  -2.679  -2.679
  178    HE1  PHE  21           HE2      PHE  21  -7.520  -6.637  -6.637
  179    HE2  PHE  21           HE1      PHE  21  -6.479  -4.927  -4.927
  180    HZ   PHE  21           HZ       PHE  21  -6.994  -6.907  -6.907
  181    H    TYR  22           H        TYR  22  -7.662   0.610   0.610
  182    HA   TYR  22           HA       TYR  22  -9.494   0.161   0.161
  183   1HB   TYR  22          1HB       TYR  22  -7.240   1.430   1.430
  184   2HB   TYR  22          2HB       TYR  22  -7.997   2.766   2.766
  185    HD1  TYR  22           HD1      TYR  22  -8.434   0.580   0.580
  186    HD2  TYR  22           HD2      TYR  22  -9.001   4.483   4.483
  187    HE1  TYR  22           HE1      TYR  22  -9.331   1.397   1.397
  188    HE2  TYR  22           HE2      TYR  22  -9.867   5.296   5.296
  189    HH   TYR  22           HH       TYR  22 -10.024   4.791   4.791
  190    H    LYS  23           H        LYS  23 -10.047   2.375   2.375
  191    HA   LYS  23           HA       LYS  23 -12.721   3.011   3.011
  192   1HB   LYS  23          2HB       LYS  23 -11.412   4.477   4.477
  193   2HB   LYS  23          1HB       LYS  23 -11.527   3.159   3.159
  194   1HG   LYS  23          1HG       LYS  23 -13.007   4.992   4.992
  195   2HG   LYS  23          2HG       LYS  23 -13.945   3.551   3.551
  196   1HD   LYS  23          1HD       LYS  23 -13.646   5.729   5.729
  197   2HD   LYS  23          2HD       LYS  23 -14.796   5.893   5.893
  198   1HE   LYS  23          1HE       LYS  23 -15.881   3.654   3.654
  199   2HE   LYS  23          2HE       LYS  23 -14.806   3.564   3.564
  200   1HZ   LYS  23          1HZ       LYS  23 -15.741   5.753   5.753
  201   2HZ   LYS  23          2HZ       LYS  23 -16.861   5.710   5.710
  202   3HZ   LYS  23          3HZ       LYS  23 -16.839   4.530   4.530
  203    H    THR  24           H        THR  24 -11.569   0.439   0.439
  204    HA   THR  24           HA       THR  24 -14.097  -0.907  -0.907
  205    HB   THR  24           HB       THR  24 -11.416  -2.187  -2.187
  206    HG1  THR  24           HG1      THR  24 -11.311  -0.844  -0.844
  207   1HG2  THR  24          2HG2      THR  24 -13.871  -3.347  -3.347
  208   2HG2  THR  24          3HG2      THR  24 -12.253  -4.087  -4.087
  209   3HG2  THR  24          1HG2      THR  24 -13.202  -3.965  -3.965
  210    H    LEU  25           H        LEU  25 -11.780  -1.575  -1.575
  211    HA   LEU  25           HA       LEU  25 -13.638  -2.802  -2.802
  212   1HB   LEU  25          1HB       LEU  25 -11.123  -2.641  -2.641
  213   2HB   LEU  25          2HB       LEU  25 -11.227  -0.927  -0.927
  214    HG   LEU  25           HG       LEU  25 -10.710  -2.457  -2.457
  215   1HD1  LEU  25          3HD2      LEU  25 -11.390  -0.084  -0.084
  216   2HD1  LEU  25          1HD2      LEU  25 -13.092  -0.568  -0.568
  217   3HD1  LEU  25          2HD2      LEU  25 -11.920  -1.134  -1.134
  218   1HD2  LEU  25          3HD1      LEU  25 -12.402  -4.266  -4.266
  219   2HD2  LEU  25          1HD1      LEU  25 -12.516  -3.611  -3.611
  220   3HD2  LEU  25          2HD1      LEU  25 -13.717  -3.146  -3.146
  221    H    ARG  26           H        ARG  26 -13.086   0.846   0.846
  222    HA   ARG  26           HA       ARG  26 -15.511   1.172   1.172
  223   1HB   ARG  26          1HB       ARG  26 -13.769   3.232   3.232
  224   2HB   ARG  26          2HB       ARG  26 -15.075   3.704   3.704
  225   1HG   ARG  26          2HG       ARG  26 -12.521   2.250   2.250
  226   2HG   ARG  26          1HG       ARG  26 -12.827   3.969   3.969
  227   1HD   ARG  26          1HD       ARG  26 -14.732   3.565   3.565
  228   2HD   ARG  26          2HD       ARG  26 -14.572   1.814   1.814
  229    HE   ARG  26           HE       ARG  26 -11.991   3.036   3.036
  230   1HH1  ARG  26          2HH2      ARG  26 -15.014   1.804   1.804
  231   2HH1  ARG  26          1HH2      ARG  26 -14.256   1.317   1.317
  232   1HH2  ARG  26          1HH1      ARG  26 -11.200   2.600   2.600
  233   2HH2  ARG  26          2HH1      ARG  26 -12.183   1.823   1.823
  234    H    ALA  27           H        ALA  27 -15.602   0.029   0.029
  235    HA   ALA  27           HA       ALA  27 -18.416   0.999   0.999
  236   1HB   ALA  27          2HB       ALA  27 -17.149   1.339   1.339
  237   2HB   ALA  27          3HB       ALA  27 -16.706  -0.383  -0.383
  238   3HB   ALA  27          1HB       ALA  27 -18.405   0.104   0.104
  239    H    GLU  28           H        GLU  28 -16.424  -2.026  -2.026
  240    HA   GLU  28           HA       GLU  28 -18.633  -3.817  -3.817
  241   1HB   GLU  28          1HB       GLU  28 -15.758  -3.763  -3.763
  242   2HB   GLU  28          2HB       GLU  28 -16.859  -5.112  -5.112
  243   1HG   GLU  28          2HG       GLU  28 -16.963  -5.455  -5.455
  244   2HG   GLU  28          1HG       GLU  28 -15.847  -4.133  -4.133
  245    HE1  GLU  28           HE2      GLU  28 -13.067  -5.859  -5.859
  246    H    GLN  29           H        GLN  29 -16.840  -1.707  -1.707
  247    HA   GLN  29           HA       GLN  29 -18.458  -2.211  -2.211
  248   1HB   GLN  29          1HB       GLN  29 -16.946   0.322   0.322
  249   2HB   GLN  29          2HB       GLN  29 -17.668   0.181   0.181
  250   1HG   GLN  29          1HG       GLN  29 -15.451  -1.748  -1.748
  251   2HG   GLN  29          2HG       GLN  29 -15.124  -0.239  -0.239
  252   1HE2  GLN  29          2HE2      GLN  29 -16.289  -3.277  -3.277
  253   2HE2  GLN  29          1HE2      GLN  29 -16.441  -3.434  -3.434
  254    H    ALA  30           H        ALA  30 -18.887   0.222   0.222
  255    HA   ALA  30           HA       ALA  30 -21.267   1.442   1.442
  256   1HB   ALA  30          2HB       ALA  30 -19.712   2.505   2.505
  257   2HB   ALA  30          3HB       ALA  30 -20.407   1.384   1.384
  258   3HB   ALA  30          1HB       ALA  30 -21.429   2.598   2.598
  259    H    SER  31           H        SER  31 -20.948  -1.410  -1.410
  260    HA   SER  31           HA       SER  31 -23.631  -1.376  -1.376
  261   1HB   SER  31          1HB       SER  31 -21.556  -3.658  -3.658
  262   2HB   SER  31          2HB       SER  31 -22.969  -3.746  -3.746
  263    HG   SER  31           HG       SER  31 -20.775  -1.926  -1.926
  264    HXT  SER  31           HO        OH  32 -24.217  -0.895  -0.895

  Start of MODEL    7
    1   1H    CYS   1          2H        CYS   1  14.884  -9.750  -9.750
    2   2H    CYS   1          3H        CYS   1  15.365  -8.265  -8.265
    3   3H    CYS   1          1H        CYS   1  16.447  -9.519  -9.519
    4    HA   CYS   1           HA       CYS   1  15.804  -9.233  -9.233
    5   1HB   CYS   1          1HB       CYS   1  13.680  -7.987  -7.987
    6   2HB   CYS   1          2HB       CYS   1  12.928  -9.499  -9.499
    7    HG   CYS   1           HG       CYS   1  11.977  -8.876  -8.876
    8    H    SER   2           H        SER   2  15.988 -11.090 -11.090
    9    HA   SER   2           HA       SER   2  15.481 -13.806 -13.806
   10   1HB   SER   2          2HB       SER   2  17.509 -14.609 -14.609
   11   2HB   SER   2          1HB       SER   2  17.942 -13.103 -13.103
   12    HG   SER   2           HG       SER   2  17.527 -12.146 -12.146
   13    H    ILE   3           H        ILE   3  15.783 -15.465 -15.465
   14    HA   ILE   3           HA       ILE   3  13.333 -15.242 -15.242
   15    HB   ILE   3           HB       ILE   3  13.991 -17.383 -17.383
   16   1HG1  ILE   3          2HG1      ILE   3  13.566 -18.939 -18.939
   17   2HG1  ILE   3          1HG1      ILE   3  13.703 -17.580 -17.580
   18   1HG2  ILE   3          2HG2      ILE   3  16.492 -17.303 -17.303
   19   2HG2  ILE   3          3HG2      ILE   3  16.158 -17.621 -17.621
   20   3HG2  ILE   3          1HG2      ILE   3  15.742 -18.840 -18.840
   21   1HD1  ILE   3          1HD1      ILE   3  11.592 -17.808 -17.808
   22   2HD1  ILE   3          2HD1      ILE   3  11.308 -18.191 -18.191
   23   3HD1  ILE   3          3HD1      ILE   3  11.650 -16.519 -16.519
   24    H    LEU   4           H        LEU   4  16.805 -14.881 -14.881
   25    HA   LEU   4           HA       LEU   4  16.337 -14.550 -14.550
   26   1HB   LEU   4          1HB       LEU   4  18.890 -14.327 -14.327
   27   2HB   LEU   4          2HB       LEU   4  18.879 -14.203 -14.203
   28    HG   LEU   4           HG       LEU   4  18.066 -16.752 -16.752
   29   1HD1  LEU   4          2HD2      LEU   4  20.488 -16.206 -16.206
   30   2HD1  LEU   4          3HD2      LEU   4  20.708 -16.068 -16.068
   31   3HD1  LEU   4          1HD2      LEU   4  20.290 -17.637 -17.637
   32   1HD2  LEU   4          1HD1      LEU   4  18.568 -16.294 -16.294
   33   2HD2  LEU   4          2HD1      LEU   4  16.998 -16.665 -16.665
   34   3HD2  LEU   4          3HD1      LEU   4  18.290 -17.875 -17.875
   35    H    ASP   5           H        ASP   5  15.050 -12.742 -12.742
   36    HA   ASP   5           HA       ASP   5  16.196 -10.016 -10.016
   37   1HB   ASP   5          1HB       ASP   5  14.650 -10.694 -10.694
   38   2HB   ASP   5          2HB       ASP   5  14.904  -9.057  -9.057
   39    HD1  ASP   5           HD2      ASP   5  18.369  -9.074  -9.074
   40    H    ILE   6           H        ILE   6  13.354 -12.049 -12.049
   41    HA   ILE   6           HA       ILE   6  11.414  -9.785  -9.785
   42    HB   ILE   6           HB       ILE   6  10.927 -12.800 -12.800
   43   1HG1  ILE   6          1HG1      ILE   6  10.594 -10.910 -10.910
   44   2HG1  ILE   6          2HG1      ILE   6  11.838 -12.124 -12.124
   45   1HG2  ILE   6          1HG2      ILE   6   9.138 -11.296 -11.296
   46   2HG2  ILE   6          2HG2      ILE   6   8.981 -10.411 -10.411
   47   3HG2  ILE   6          3HG2      ILE   6   8.511 -12.127 -12.127
   48   1HD1  ILE   6          1HD1      ILE   6  10.093 -13.959 -13.959
   49   2HD1  ILE   6          2HD1      ILE   6   8.846 -12.724 -12.724
   50   3HD1  ILE   6          3HD1      ILE   6  10.134 -13.043 -13.043
   51    H    ARG   7           H        ARG   7  12.692  -9.089  -9.089
   52    HA   ARG   7           HA       ARG   7  11.957 -10.002 -10.002
   53   1HB   ARG   7          2HB       ARG   7  13.570  -7.583  -7.583
   54   2HB   ARG   7          1HB       ARG   7  13.366  -7.914  -7.914
   55   1HG   ARG   7          1HG       ARG   7  14.509 -10.085 -10.085
   56   2HG   ARG   7          2HG       ARG   7  14.581 -10.035 -10.035
   57   1HD   ARG   7          1HD       ARG   7  16.078  -7.911  -7.911
   58   2HD   ARG   7          2HD       ARG   7  16.019  -8.068  -8.068
   59    HE   ARG   7           HE       ARG   7  17.569  -9.916  -9.916
   60   1HH1  ARG   7          2HH2      ARG   7  16.413  -9.346  -9.346
   61   2HH1  ARG   7          1HH2      ARG   7  17.556 -10.601 -10.601
   62   1HH2  ARG   7          1HH1      ARG   7  18.939 -11.250 -11.250
   63   2HH2  ARG   7          2HH1      ARG   7  18.944 -11.517 -11.517
   64    H    GLN   8           H        GLN   8   9.674  -9.069  -9.069
   65    HA   GLN   8           HA       GLN   8   8.751  -6.563  -6.563
   66   1HB   GLN   8          1HB       GLN   8   7.493  -8.885  -8.885
   67   2HB   GLN   8          2HB       GLN   8   6.643  -7.381  -7.381
   68   1HG   GLN   8          2HG       GLN   8   8.447  -6.035  -6.035
   69   2HG   GLN   8          1HG       GLN   8   9.436  -7.436  -7.436
   70   1HE2  GLN   8          2HE2      GLN   8   6.341  -6.957  -6.957
   71   2HE2  GLN   8          1HE2      GLN   8   6.263  -6.120  -6.120
   72    H    GLY   9           H        GLY   9   9.045  -7.456  -7.456
   73   1HA   GLY   9          1HA       GLY   9   6.382  -8.191  -8.191
   74   2HA   GLY   9          2HA       GLY   9   7.823  -7.730  -7.730
   75    HA   PRO  10           HA       PRO  10   4.794  -4.004  -4.004
   76   1HB   PRO  10          1HB       PRO  10   3.292  -3.896  -3.896
   77   2HB   PRO  10          2HB       PRO  10   2.850  -4.684  -4.684
   78   1HG   PRO  10          1HG       PRO  10   4.126  -5.933  -5.933
   79   2HG   PRO  10          2HG       PRO  10   2.759  -6.574  -6.574
   80   1HD   PRO  10          1HD       PRO  10   5.338  -7.526  -7.526
   81   2HD   PRO  10          2HD       PRO  10   4.223  -7.428  -7.428
   82    H    LYS  11           H        LYS  11   5.369  -2.138  -2.138
   83    HA   LYS  11           HA       LYS  11   7.358  -1.384  -1.384
   84   1HB   LYS  11          1HB       LYS  11   7.849  -1.259  -1.259
   85   2HB   LYS  11          2HB       LYS  11   8.852  -0.405  -0.405
   86   1HG   LYS  11          1HG       LYS  11   9.746  -2.429  -2.429
   87   2HG   LYS  11          2HG       LYS  11   8.470  -3.432  -3.432
   88   1HD   LYS  11          1HD       LYS  11   9.312  -2.846  -2.846
   89   2HD   LYS  11          2HD       LYS  11  10.741  -2.131  -2.131
   90   1HE   LYS  11          1HE       LYS  11  11.272  -4.415  -4.415
   91   2HE   LYS  11          2HE       LYS  11   9.783  -5.071  -5.071
   92   1HZ   LYS  11          1HZ       LYS  11  10.845  -4.171  -4.171
   93   2HZ   LYS  11          2HZ       LYS  11  12.273  -4.348  -4.348
   94   3HZ   LYS  11          3HZ       LYS  11  11.274  -5.649  -5.649
   95    H    GLU  12           H        GLU  12   6.188   0.246   0.246
   96    HA   GLU  12           HA       GLU  12   5.524   2.754   2.754
   97   1HB   GLU  12          2HB       GLU  12   6.511   2.683   2.683
   98   2HB   GLU  12          1HB       GLU  12   5.030   1.977   1.977
   99   1HG   GLU  12          1HG       GLU  12   3.758   4.080   4.080
  100   2HG   GLU  12          2HG       GLU  12   5.251   4.766   4.766
  101    HE1  GLU  12           HE2      GLU  12   6.476   5.617   5.617
  102    HA   PRO  13           HA       PRO  13   0.819   1.724   1.724
  103   1HB   PRO  13          1HB       PRO  13   0.925  -1.318  -1.318
  104   2HB   PRO  13          2HB       PRO  13  -0.185  -0.402  -0.402
  105   1HG   PRO  13          1HG       PRO  13   1.903  -1.649  -1.649
  106   2HG   PRO  13          2HG       PRO  13   1.618   0.053   0.053
  107   1HD   PRO  13          1HD       PRO  13   3.596  -1.035  -1.035
  108   2HD   PRO  13          2HD       PRO  13   3.918   0.123   0.123
  109    H    PHE  14           H        PHE  14   2.469  -0.052  -0.052
  110    HA   PHE  14           HA       PHE  14   0.171  -0.984  -0.984
  111   1HB   PHE  14          1HB       PHE  14   1.664  -1.828  -1.828
  112   2HB   PHE  14          2HB       PHE  14   2.648  -1.755  -1.755
  113    HD1  PHE  14           HD2      PHE  14   3.941   0.888   0.888
  114    HD2  PHE  14           HD1      PHE  14   2.909  -1.484  -1.484
  115    HE1  PHE  14           HE2      PHE  14   5.698   1.990   1.990
  116    HE2  PHE  14           HE1      PHE  14   4.669  -0.354  -0.354
  117    HZ   PHE  14           HZ       PHE  14   6.064   1.386   1.386
  118    H    ARG  15           H        ARG  15   1.055   2.317   2.317
  119    HA   ARG  15           HA       ARG  15  -0.776   2.642   2.642
  120   1HB   ARG  15          1HB       ARG  15   1.336   4.625   4.625
  121   2HB   ARG  15          2HB       ARG  15   0.366   4.896   4.896
  122   1HG   ARG  15          1HG       ARG  15   2.636   2.812   2.812
  123   2HG   ARG  15          2HG       ARG  15   2.740   4.375   4.375
  124   1HD   ARG  15          1HD       ARG  15   2.611   2.886   2.886
  125   2HD   ARG  15          2HD       ARG  15   1.002   3.626   3.626
  126    HE   ARG  15           HE       ARG  15   0.669   1.288   1.288
  127   1HH1  ARG  15          2HH2      ARG  15   1.771   1.765   1.765
  128   2HH1  ARG  15          1HH2      ARG  15   1.298   0.061   0.061
  129   1HH2  ARG  15          1HH1      ARG  15   0.141  -0.560  -0.560
  130   2HH2  ARG  15          2HH1      ARG  15   0.377  -1.194  -1.194
  131    H    ASP  16           H        ASP  16  -0.826   3.178   3.178
  132    HA   ASP  16           HA       ASP  16  -3.428   4.584   4.584
  133   1HB   ASP  16          1HB       ASP  16  -2.052   4.963   4.963
  134   2HB   ASP  16          2HB       ASP  16  -2.124   3.241   3.241
  135    HD1  ASP  16           HD2      ASP  16  -3.879   6.097   6.097
  136    H    TYR  17           H        TYR  17  -2.185   1.510   1.510
  137    HA   TYR  17           HA       TYR  17  -4.684   0.008   0.008
  138   1HB   TYR  17          1HB       TYR  17  -3.001  -1.433  -1.433
  139   2HB   TYR  17          2HB       TYR  17  -1.817  -0.828  -0.828
  140    HD1  TYR  17           HD2      TYR  17  -4.941  -2.953  -2.953
  141    HD2  TYR  17           HD1      TYR  17  -1.246  -2.044  -2.044
  142    HE1  TYR  17           HE2      TYR  17  -5.396  -4.701  -4.701
  143    HE2  TYR  17           HE1      TYR  17  -1.718  -3.787  -3.787
  144    HH   TYR  17           HH       TYR  17  -4.796  -5.546  -5.546
  145    H    VAL  18           H        VAL  18  -2.423   0.503   0.503
  146    HA   VAL  18           HA       VAL  18  -4.185  -0.081  -0.081
  147    HB   VAL  18           HB       VAL  18  -1.795   0.977   0.977
  148   1HG1  VAL  18          2HG1      VAL  18  -2.602   3.204   3.204
  149   2HG1  VAL  18          3HG1      VAL  18  -3.112   3.651   3.651
  150   3HG1  VAL  18          1HG1      VAL  18  -1.381   3.268   3.268
  151   1HG2  VAL  18          3HG2      VAL  18  -2.993   0.330   0.330
  152   2HG2  VAL  18          1HG2      VAL  18  -1.961   1.786   1.786
  153   3HG2  VAL  18          2HG2      VAL  18  -3.725   1.956   1.956
  154    H    ASP  19           H        ASP  19  -4.462   2.957   2.957
  155    HA   ASP  19           HA       ASP  19  -6.268   4.019   4.019
  156   1HB   ASP  19          2HB       ASP  19  -4.669   5.267   5.267
  157   2HB   ASP  19          1HB       ASP  19  -6.026   5.060   5.060
  158    HD2  ASP  19           HD2      ASP  19  -7.665   7.779   7.779
  159    H    ARG  20           H        ARG  20  -6.653   2.486   2.486
  160    HA   ARG  20           HA       ARG  20  -9.500   2.573   2.573
  161   1HB   ARG  20          1HB       ARG  20  -7.410   2.839   2.839
  162   2HB   ARG  20          2HB       ARG  20  -6.880   1.260   1.260
  163   1HG   ARG  20          1HG       ARG  20  -8.802   0.185   0.185
  164   2HG   ARG  20          2HG       ARG  20  -9.437   1.788   1.788
  165   1HD   ARG  20          1HD       ARG  20  -7.237   2.375   2.375
  166   2HD   ARG  20          2HD       ARG  20  -6.582   0.784   0.784
  167    HE   ARG  20           HE       ARG  20  -8.993   0.220   0.220
  168   1HH1  ARG  20          2HH2      ARG  20  -5.995   1.927   1.927
  169   2HH1  ARG  20          1HH2      ARG  20  -6.099   1.476   1.476
  170   1HH2  ARG  20          1HH1      ARG  20  -9.049  -0.229  -0.229
  171   2HH2  ARG  20          2HH1      ARG  20  -7.736   0.326   0.326
  172    H    PHE  21           H        PHE  21  -7.105   0.136   0.136
  173    HA   PHE  21           HA       PHE  21  -9.013  -1.892  -1.892
  174   1HB   PHE  21          1HB       PHE  21  -6.347  -1.903  -1.903
  175   2HB   PHE  21          2HB       PHE  21  -6.391  -1.211  -1.211
  176    HD1  PHE  21           HD2      PHE  21  -7.677  -4.166  -4.166
  177    HD2  PHE  21           HD1      PHE  21  -6.527  -2.726  -2.726
  178    HE1  PHE  21           HE2      PHE  21  -7.793  -6.459  -6.459
  179    HE2  PHE  21           HE1      PHE  21  -6.645  -5.025  -5.025
  180    HZ   PHE  21           HZ       PHE  21  -7.273  -6.892  -6.892
  181    H    TYR  22           H        TYR  22  -7.683   0.783   0.783
  182    HA   TYR  22           HA       TYR  22  -9.482   0.394   0.394
  183   1HB   TYR  22          1HB       TYR  22  -7.272   1.817   1.817
  184   2HB   TYR  22          2HB       TYR  22  -8.200   3.067   3.067
  185    HD1  TYR  22           HD2      TYR  22  -7.863   1.055   1.055
  186    HD2  TYR  22           HD1      TYR  22  -9.499   4.625   4.625
  187    HE1  TYR  22           HE2      TYR  22  -8.431   1.890   1.890
  188    HE2  TYR  22           HE1      TYR  22 -10.044   5.468   5.468
  189    HH   TYR  22           HH       TYR  22  -8.921   3.846   3.846
  190    H    LYS  23           H        LYS  23 -10.170   2.488   2.488
  191    HA   LYS  23           HA       LYS  23 -12.890   2.978   2.978
  192   1HB   LYS  23          2HB       LYS  23 -11.756   4.577   4.577
  193   2HB   LYS  23          1HB       LYS  23 -11.630   3.249   3.249
  194   1HG   LYS  23          1HG       LYS  23 -13.349   4.894   4.894
  195   2HG   LYS  23          2HG       LYS  23 -14.106   3.358   3.358
  196   1HD   LYS  23          1HD       LYS  23 -14.290   4.589   4.589
  197   2HD   LYS  23          2HD       LYS  23 -14.188   5.994   5.994
  198   1HE   LYS  23          1HE       LYS  23 -16.506   5.596   5.596
  199   2HE   LYS  23          2HE       LYS  23 -16.137   5.036   5.036
  200   1HZ   LYS  23          1HZ       LYS  23 -15.795   2.699   2.699
  201   2HZ   LYS  23          2HZ       LYS  23 -16.674   3.319   3.319
  202   3HZ   LYS  23          3HZ       LYS  23 -17.355   3.179   3.179
  203    H    THR  24           H        THR  24 -11.600   0.498   0.498
  204    HA   THR  24           HA       THR  24 -14.058  -0.969  -0.969
  205    HB   THR  24           HB       THR  24 -11.350  -2.177  -2.177
  206    HG1  THR  24           HG1      THR  24 -11.259  -0.740  -0.740
  207   1HG2  THR  24          1HG2      THR  24 -13.787  -3.274  -3.274
  208   2HG2  THR  24          2HG2      THR  24 -12.172  -4.021  -4.021
  209   3HG2  THR  24          3HG2      THR  24 -13.140  -3.969  -3.969
  210    H    LEU  25           H        LEU  25 -11.697  -1.509  -1.509
  211    HA   LEU  25           HA       LEU  25 -13.473  -2.898  -2.898
  212   1HB   LEU  25          1HB       LEU  25 -11.016  -2.621  -2.621
  213   2HB   LEU  25          2HB       LEU  25 -11.205  -0.884  -0.884
  214    HG   LEU  25           HG       LEU  25 -12.514  -1.171  -1.171
  215   1HD1  LEU  25          2HD2      LEU  25 -12.025  -4.200  -4.200
  216   2HD1  LEU  25          3HD2      LEU  25 -12.595  -3.448  -3.448
  217   3HD1  LEU  25          1HD2      LEU  25 -13.591  -3.366  -3.366
  218   1HD2  LEU  25          3HD1      LEU  25 -10.068  -0.842  -0.842
  219   2HD2  LEU  25          1HD1      LEU  25 -10.611  -1.857  -1.857
  220   3HD2  LEU  25          2HD1      LEU  25  -9.798  -2.606  -2.606
  221    H    ARG  26           H        ARG  26 -13.157   0.778   0.778
  222    HA   ARG  26           HA       ARG  26 -15.697   0.907   0.907
  223   1HB   ARG  26          1HB       ARG  26 -13.954   3.097   3.097
  224   2HB   ARG  26          2HB       ARG  26 -15.449   3.443   3.443
  225   1HG   ARG  26          1HG       ARG  26 -14.508   2.308   2.308
  226   2HG   ARG  26          2HG       ARG  26 -12.955   2.140   2.140
  227   1HD   ARG  26          1HD       ARG  26 -12.901   4.673   4.673
  228   2HD   ARG  26          2HD       ARG  26 -14.397   4.845   4.845
  229    HE   ARG  26           HE       ARG  26 -11.670   3.995   3.995
  230   1HH1  ARG  26          2HH2      ARG  26 -15.026   4.132   4.132
  231   2HH1  ARG  26          1HH2      ARG  26 -14.670   4.318   4.318
  232   1HH2  ARG  26          1HH1      ARG  26 -11.280   4.345   4.345
  233   2HH2  ARG  26          2HH1      ARG  26 -12.611   4.446   4.446
  234    H    ALA  27           H        ALA  27 -15.573  -0.328  -0.328
  235    HA   ALA  27           HA       ALA  27 -18.451   0.345   0.345
  236   1HB   ALA  27          2HB       ALA  27 -17.359   0.531   0.531
  237   2HB   ALA  27          3HB       ALA  27 -16.737  -1.128  -1.128
  238   3HB   ALA  27          1HB       ALA  27 -18.485  -0.837  -0.837
  239    H    GLU  28           H        GLU  28 -16.097  -2.372  -2.372
  240    HA   GLU  28           HA       GLU  28 -18.173  -4.325  -4.325
  241   1HB   GLU  28          1HB       GLU  28 -15.373  -3.978  -3.978
  242   2HB   GLU  28          2HB       GLU  28 -16.376  -5.402  -5.402
  243   1HG   GLU  28          2HG       GLU  28 -16.250  -5.865  -5.865
  244   2HG   GLU  28          1HG       GLU  28 -15.275  -4.436  -4.436
  245    HE2  GLU  28           HE2      GLU  28 -13.608  -7.745  -7.745
  246    H    GLN  29           H        GLN  29 -16.483  -2.006  -2.006
  247    HA   GLN  29           HA       GLN  29 -18.331  -2.196  -2.196
  248   1HB   GLN  29          1HB       GLN  29 -16.662   0.233   0.233
  249   2HB   GLN  29          2HB       GLN  29 -17.466   0.121   0.121
  250   1HG   GLN  29          2HG       GLN  29 -15.983  -1.870  -1.870
  251   2HG   GLN  29          1HG       GLN  29 -15.153  -1.678  -1.678
  252   1HE2  GLN  29          1HE2      GLN  29 -12.996   0.036   0.036
  253   2HE2  GLN  29          2HE2      GLN  29 -13.523  -1.663  -1.663
  254    H    ALA  30           H        ALA  30 -18.310  -0.085  -0.085
  255    HA   ALA  30           HA       ALA  30 -19.855   1.406   1.406
  256   1HB   ALA  30          2HB       ALA  30 -21.235  -0.728  -0.728
  257   2HB   ALA  30          3HB       ALA  30 -21.988  -0.295  -0.295
  258   3HB   ALA  30          1HB       ALA  30 -22.258   0.719   0.719
  259    H    SER  31           H        SER  31 -21.136   1.080   1.080
  260    HA   SER  31           HA       SER  31 -20.498   3.868   3.868
  261   1HB   SER  31          1HB       SER  31 -23.497   3.367   3.367
  262   2HB   SER  31          2HB       SER  31 -22.919   4.739   4.739
  263    HG   SER  31           HG       SER  31 -21.627   4.257   4.257
  264    HXT  SER  31           HO        OH  32 -22.685   1.523   1.523

  Start of MODEL    8
    1   1H    CYS   1          2H        CYS   1  17.825   3.429   3.429
    2   2H    CYS   1          3H        CYS   1  19.010   2.261   2.261
    3   3H    CYS   1          1H        CYS   1  18.071   2.682   2.682
    4    HA   CYS   1           HA       CYS   1  20.179   3.815   3.815
    5   1HB   CYS   1          1HB       CYS   1  20.904   3.531   3.531
    6   2HB   CYS   1          2HB       CYS   1  19.782   4.798   4.798
    7    HG   CYS   1           HG       CYS   1  22.409   4.944   4.944
    8    H    SER   2           H        SER   2  18.776   6.521   6.521
    9    HA   SER   2           HA       SER   2  16.698   7.261   7.261
   10   1HB   SER   2          1HB       SER   2  18.532   7.410   7.410
   11   2HB   SER   2          2HB       SER   2  19.453   8.507   8.507
   12    HG   SER   2           HG       SER   2  17.008   8.947   8.947
   13    H    ILE   3           H        ILE   3  18.815   9.883   9.883
   14    HA   ILE   3           HA       ILE   3  18.227  11.873  11.873
   15    HB   ILE   3           HB       ILE   3  20.001  10.388  10.388
   16   1HG1  ILE   3          2HG1      ILE   3  20.106  11.855  11.855
   17   2HG1  ILE   3          1HG1      ILE   3  18.566  12.580  12.580
   18   1HG2  ILE   3          2HG2      ILE   3  18.263   8.834   8.834
   19   2HG2  ILE   3          3HG2      ILE   3  17.757  10.182  10.182
   20   3HG2  ILE   3          1HG2      ILE   3  19.414   9.526   9.526
   21   1HD1  ILE   3          2HD1      ILE   3  21.129  12.694  12.694
   22   2HD1  ILE   3          3HD1      ILE   3  20.537  13.991  13.991
   23   3HD1  ILE   3          1HD1      ILE   3  19.598  13.534  13.534
   24    H    LEU   4           H        LEU   4  15.932  10.763  10.763
   25    HA   LEU   4           HA       LEU   4  13.538  10.612  10.612
   26   1HB   LEU   4          1HB       LEU   4  14.181  13.274  13.274
   27   2HB   LEU   4          2HB       LEU   4  12.546  12.770  12.770
   28    HG   LEU   4           HG       LEU   4  14.647  13.098  13.098
   29   1HD1  LEU   4          3HD2      LEU   4  14.308  15.297  15.297
   30   2HD1  LEU   4          1HD2      LEU   4  12.545  15.161  15.161
   31   3HD1  LEU   4          2HD2      LEU   4  13.586  15.348  15.348
   32   1HD2  LEU   4          1HD1      LEU   4  11.547  12.954  12.954
   33   2HD2  LEU   4          2HD1      LEU   4  12.675  11.699  11.699
   34   3HD2  LEU   4          3HD1      LEU   4  12.616  13.264  13.264
   35    H    ASP   5           H        ASP   5  14.938   9.070   9.070
   36    HA   ASP   5           HA       ASP   5  13.087   8.694   8.694
   37   1HB   ASP   5          1HB       ASP   5  15.079  10.466  10.466
   38   2HB   ASP   5          2HB       ASP   5  16.120   9.073   9.073
   39    HD2  ASP   5           HD2      ASP   5  15.373   9.708   9.708
   40    H    ILE   6           H        ILE   6  16.223   7.605   7.605
   41    HA   ILE   6           HA       ILE   6  15.908   4.968   4.968
   42    HB   ILE   6           HB       ILE   6  18.323   5.926   5.926
   43   1HG1  ILE   6          2HG1      ILE   6  17.663   6.119   6.119
   44   2HG1  ILE   6          1HG1      ILE   6  17.834   7.454   7.454
   45   1HG2  ILE   6          1HG2      ILE   6  18.141   3.368   3.368
   46   2HG2  ILE   6          2HG2      ILE   6  17.955   3.651   3.651
   47   3HG2  ILE   6          3HG2      ILE   6  19.483   4.052   4.052
   48   1HD1  ILE   6          3HD1      ILE   6  20.279   6.915   6.915
   49   2HD1  ILE   6          1HD1      ILE   6  20.149   5.641   5.641
   50   3HD1  ILE   6          2HD1      ILE   6  19.865   7.342   7.342
   51    H    ARG   7           H        ARG   7  14.136   4.711   4.711
   52    HA   ARG   7           HA       ARG   7  14.239   3.746   3.746
   53   1HB   ARG   7          1HB       ARG   7  12.288   4.734   4.734
   54   2HB   ARG   7          2HB       ARG   7  12.027   3.157   3.157
   55   1HG   ARG   7          1HG       ARG   7  12.016   3.417   3.417
   56   2HG   ARG   7          2HG       ARG   7  10.771   4.239   4.239
   57   1HD   ARG   7          1HD       ARG   7   9.686   2.291   2.291
   58   2HD   ARG   7          2HD       ARG   7  10.214   1.977   1.977
   59    HE   ARG   7           HE       ARG   7  12.352   0.886   0.886
   60   1HH1  ARG   7          2HH2      ARG   7   8.909   0.324   0.324
   61   2HH1  ARG   7          1HH2      ARG   7   9.134  -1.233  -1.233
   62   1HH2  ARG   7          1HH1      ARG   7  12.546  -1.003  -1.003
   63   2HH2  ARG   7          2HH1      ARG   7  11.129  -1.950  -1.950
   64    H    GLN   8           H        GLN   8  14.712   1.852   1.852
   65    HA   GLN   8           HA       GLN   8  15.019  -0.500  -0.500
   66   1HB   GLN   8          1HB       GLN   8  16.132  -0.271  -0.271
   67   2HB   GLN   8          2HB       GLN   8  16.289  -1.717  -1.717
   68   1HG   GLN   8          1HG       GLN   8  17.576  -0.497  -0.497
   69   2HG   GLN   8          2HG       GLN   8  17.328   1.028   1.028
   70   1HE2  GLN   8          2HE2      GLN   8  20.275  -1.386  -1.386
   71   2HE2  GLN   8          1HE2      GLN   8  18.954  -2.077  -2.077
   72    H    GLY   9           H        GLY   9  12.794  -0.700  -0.700
   73   1HA   GLY   9          1HA       GLY   9  11.203  -2.783  -2.783
   74   2HA   GLY   9          2HA       GLY   9  11.247  -2.237  -2.237
   75    HA   PRO  10           HA       PRO  10   7.682  -0.280  -0.280
   76   1HB   PRO  10          1HB       PRO  10   6.025  -1.039  -1.039
   77   2HB   PRO  10          2HB       PRO  10   5.627  -1.230  -1.230
   78   1HG   PRO  10          1HG       PRO  10   6.398  -3.419  -3.419
   79   2HG   PRO  10          2HG       PRO  10   6.955  -3.218  -3.218
   80   1HD   PRO  10          1HD       PRO  10   8.523  -2.659  -2.659
   81   2HD   PRO  10          2HD       PRO  10   9.058  -3.451  -3.451
   82    H    LYS  11           H        LYS  11   6.782   1.633   1.633
   83    HA   LYS  11           HA       LYS  11   6.942   3.382   3.382
   84   1HB   LYS  11          1HB       LYS  11   8.109   5.197   5.197
   85   2HB   LYS  11          2HB       LYS  11   9.097   3.762   3.762
   86   1HG   LYS  11          1HG       LYS  11   8.915   3.404   3.404
   87   2HG   LYS  11          2HG       LYS  11   7.854   4.812   4.812
   88   1HD   LYS  11          1HD       LYS  11   9.615   6.286   6.286
   89   2HD   LYS  11          2HD       LYS  11  10.702   4.902   4.902
   90   1HE   LYS  11          1HE       LYS  11  10.701   4.594   4.594
   91   2HE   LYS  11          2HE       LYS  11   9.564   5.937   5.937
   92   1HZ   LYS  11          1HZ       LYS  11  12.295   6.256   6.256
   93   2HZ   LYS  11          2HZ       LYS  11  11.994   6.666   6.666
   94   3HZ   LYS  11          3HZ       LYS  11  11.249   7.465   7.465
   95    H    GLU  12           H        GLU  12   6.115   3.661   3.661
   96    HA   GLU  12           HA       GLU  12   3.762   5.437   5.437
   97   1HB   GLU  12          2HB       GLU  12   5.005   4.477   4.477
   98   2HB   GLU  12          1HB       GLU  12   3.556   5.450   5.450
   99   1HG   GLU  12          1HG       GLU  12   4.685   7.358   7.358
  100   2HG   GLU  12          2HG       GLU  12   6.131   6.431   6.431
  101    HE1  GLU  12           HE2      GLU  12   5.491   7.831   7.831
  102    HA   PRO  13           HA       PRO  13   1.000   1.863   1.863
  103   1HB   PRO  13          1HB       PRO  13   2.574  -0.567  -0.567
  104   2HB   PRO  13          2HB       PRO  13   1.573  -0.425  -0.425
  105   1HG   PRO  13          1HG       PRO  13   4.264  -0.303  -0.303
  106   2HG   PRO  13          2HG       PRO  13   3.276   0.918   0.918
  107   1HD   PRO  13          1HD       PRO  13   4.715   1.203   1.203
  108   2HD   PRO  13          2HD       PRO  13   4.808   2.300   2.300
  109    H    PHE  14           H        PHE  14   2.769   0.844   0.844
  110    HA   PHE  14           HA       PHE  14   0.431  -0.504  -0.504
  111   1HB   PHE  14          1HB       PHE  14   1.828  -1.245  -1.245
  112   2HB   PHE  14          2HB       PHE  14   2.839  -1.197  -1.197
  113    HD1  PHE  14           HD2      PHE  14   3.392   2.115   2.115
  114    HD2  PHE  14           HD1      PHE  14   3.824  -1.618  -1.618
  115    HE1  PHE  14           HE2      PHE  14   5.144   3.092   3.092
  116    HE2  PHE  14           HE1      PHE  14   5.599  -0.621  -0.621
  117    HZ   PHE  14           HZ       PHE  14   6.262   1.736   1.736
  118    H    ARG  15           H        ARG  15   0.981   2.820   2.820
  119    HA   ARG  15           HA       ARG  15  -0.922   3.020   3.020
  120   1HB   ARG  15          1HB       ARG  15   1.236   4.918   4.918
  121   2HB   ARG  15          2HB       ARG  15  -0.220   5.688   5.688
  122   1HG   ARG  15          1HG       ARG  15   1.302   5.844   5.844
  123   2HG   ARG  15          2HG       ARG  15   0.003   4.839   4.839
  124   1HD   ARG  15          1HD       ARG  15   2.784   3.812   3.812
  125   2HD   ARG  15          2HD       ARG  15   2.339   4.202   4.202
  126    HE   ARG  15           HE       ARG  15   0.701   2.077   2.077
  127   1HH1  ARG  15          2HH2      ARG  15   3.057   2.645   2.645
  128   2HH1  ARG  15          1HH2      ARG  15   2.856   0.943   0.943
  129   1HH2  ARG  15          1HH1      ARG  15   0.505   0.237   0.237
  130   2HH2  ARG  15          2HH1      ARG  15   1.453  -0.357  -0.357
  131    H    ASP  16           H        ASP  16  -0.866   3.455   3.455
  132    HA   ASP  16           HA       ASP  16  -3.738   4.242   4.242
  133   1HB   ASP  16          1HB       ASP  16  -1.791   3.416   3.416
  134   2HB   ASP  16          2HB       ASP  16  -3.500   3.675   3.675
  135    HD1  ASP  16           HD2      ASP  16  -3.396   7.122   7.122
  136    H    TYR  17           H        TYR  17  -2.331   1.649   1.649
  137    HA   TYR  17           HA       TYR  17  -4.477  -0.259  -0.259
  138   1HB   TYR  17          1HB       TYR  17  -2.757  -1.716  -1.716
  139   2HB   TYR  17          2HB       TYR  17  -1.570  -0.874  -0.874
  140    HD1  TYR  17           HD2      TYR  17  -4.514  -3.195  -3.195
  141    HD2  TYR  17           HD1      TYR  17  -0.823  -1.710  -1.710
  142    HE1  TYR  17           HE2      TYR  17  -4.717  -4.735  -4.735
  143    HE2  TYR  17           HE1      TYR  17  -1.045  -3.231  -3.231
  144    HH   TYR  17           HH       TYR  17  -2.287  -4.837  -4.837
  145    H    VAL  18           H        VAL  18  -2.361   0.710   0.710
  146    HA   VAL  18           HA       VAL  18  -4.161  -0.073  -0.073
  147    HB   VAL  18           HB       VAL  18  -1.804   1.062   1.062
  148   1HG1  VAL  18          2HG1      VAL  18  -2.684   3.367   3.367
  149   2HG1  VAL  18          3HG1      VAL  18  -3.231   3.619   3.619
  150   3HG1  VAL  18          1HG1      VAL  18  -1.481   3.302   3.302
  151   1HG2  VAL  18          3HG2      VAL  18  -3.066   0.206   0.206
  152   2HG2  VAL  18          1HG2      VAL  18  -2.107   1.684   1.684
  153   3HG2  VAL  18          2HG2      VAL  18  -3.870   1.798   1.798
  154    H    ASP  19           H        ASP  19  -4.516   2.986   2.986
  155    HA   ASP  19           HA       ASP  19  -6.434   3.889   3.889
  156   1HB   ASP  19          1HB       ASP  19  -4.861   5.460   5.460
  157   2HB   ASP  19          2HB       ASP  19  -5.778   5.145   5.145
  158    HD2  ASP  19           HD2      ASP  19  -8.143   7.493   7.493
  159    H    ARG  20           H        ARG  20  -6.583   2.314   2.314
  160    HA   ARG  20           HA       ARG  20  -9.369   2.464   2.464
  161   1HB   ARG  20          1HB       ARG  20  -7.242   2.586   2.586
  162   2HB   ARG  20          2HB       ARG  20  -6.745   1.047   1.047
  163   1HG   ARG  20          1HG       ARG  20  -8.834  -0.045  -0.045
  164   2HG   ARG  20          2HG       ARG  20  -9.324   1.537   1.537
  165   1HD   ARG  20          1HD       ARG  20  -7.144   1.693   1.693
  166   2HD   ARG  20          2HD       ARG  20  -6.661   0.099   0.099
  167    HE   ARG  20           HE       ARG  20  -9.299  -0.220  -0.220
  168   1HH1  ARG  20          2HH2      ARG  20  -6.068   0.491   0.491
  169   2HH1  ARG  20          1HH2      ARG  20  -6.392  -0.150  -0.150
  170   1HH2  ARG  20          1HH1      ARG  20  -9.640  -0.946  -0.946
  171   2HH2  ARG  20          2HH1      ARG  20  -8.334  -0.928  -0.928
  172    H    PHE  21           H        PHE  21  -7.062  -0.002  -0.002
  173    HA   PHE  21           HA       PHE  21  -9.014  -1.997  -1.997
  174   1HB   PHE  21          1HB       PHE  21  -6.369  -2.061  -2.061
  175   2HB   PHE  21          2HB       PHE  21  -6.378  -1.280  -1.280
  176    HD1  PHE  21           HD1      PHE  21  -7.552  -4.375  -4.375
  177    HD2  PHE  21           HD2      PHE  21  -6.621  -2.629  -2.629
  178    HE1  PHE  21           HE1      PHE  21  -7.640  -6.603  -6.603
  179    HE2  PHE  21           HE2      PHE  21  -6.709  -4.864  -4.864
  180    HZ   PHE  21           HZ       PHE  21  -7.218  -6.851  -6.851
  181    H    TYR  22           H        TYR  22  -7.663   0.613   0.613
  182    HA   TYR  22           HA       TYR  22  -9.456   0.237   0.237
  183   1HB   TYR  22          1HB       TYR  22  -7.223   1.559   1.559
  184   2HB   TYR  22          2HB       TYR  22  -8.040   2.839   2.839
  185    HD1  TYR  22           HD2      TYR  22  -7.982   0.931   0.931
  186    HD2  TYR  22           HD1      TYR  22  -9.220   4.550   4.550
  187    HE1  TYR  22           HE2      TYR  22  -8.502   1.944   1.944
  188    HE2  TYR  22           HE1      TYR  22  -9.732   5.555   5.555
  189    HH   TYR  22           HH       TYR  22  -8.944   3.890   3.890
  190    H    LYS  23           H        LYS  23 -10.086   2.438   2.438
  191    HA   LYS  23           HA       LYS  23 -12.759   3.027   3.027
  192   1HB   LYS  23          2HB       LYS  23 -11.378   4.590   4.590
  193   2HB   LYS  23          1HB       LYS  23 -11.607   3.381   3.381
  194   1HG   LYS  23          1HG       LYS  23 -13.021   5.335   5.335
  195   2HG   LYS  23          2HG       LYS  23 -14.017   3.919   3.919
  196   1HD   LYS  23          1HD       LYS  23 -13.495   5.790   5.790
  197   2HD   LYS  23          2HD       LYS  23 -14.637   6.265   6.265
  198   1HE   LYS  23          1HE       LYS  23 -16.002   4.156   4.156
  199   2HE   LYS  23          2HE       LYS  23 -14.872   3.611   3.611
  200   1HZ   LYS  23          1HZ       LYS  23 -15.406   5.740   5.740
  201   2HZ   LYS  23          2HZ       LYS  23 -16.673   5.990   5.990
  202   3HZ   LYS  23          3HZ       LYS  23 -16.605   4.622   4.622
  203    H    THR  24           H        THR  24 -11.619   0.614   0.614
  204    HA   THR  24           HA       THR  24 -14.149  -0.692  -0.692
  205    HB   THR  24           HB       THR  24 -11.485  -2.012  -2.012
  206    HG1  THR  24           HG1      THR  24 -11.303  -0.594  -0.594
  207   1HG2  THR  24          1HG2      THR  24 -13.301  -3.771  -3.771
  208   2HG2  THR  24          2HG2      THR  24 -13.910  -3.035  -3.035
  209   3HG2  THR  24          3HG2      THR  24 -12.303  -3.800  -3.800
  210    H    LEU  25           H        LEU  25 -11.858  -1.543  -1.543
  211    HA   LEU  25           HA       LEU  25 -13.849  -2.914  -2.914
  212   1HB   LEU  25          1HB       LEU  25 -11.328  -3.103  -3.103
  213   2HB   LEU  25          2HB       LEU  25 -11.208  -1.512  -1.512
  214    HG   LEU  25           HG       LEU  25 -13.110  -3.461  -3.461
  215   1HD1  LEU  25          1HD2      LEU  25 -11.306  -4.995  -4.995
  216   2HD1  LEU  25          2HD2      LEU  25 -10.077  -3.910  -3.910
  217   3HD1  LEU  25          3HD2      LEU  25 -11.301  -4.699  -4.699
  218   1HD2  LEU  25          1HD1      LEU  25 -12.673  -1.167  -1.167
  219   2HD2  LEU  25          2HD1      LEU  25 -12.170  -2.451  -2.451
  220   3HD2  LEU  25          3HD1      LEU  25 -10.947  -1.555  -1.555
  221    H    ARG  26           H        ARG  26 -13.050   0.726   0.726
  222    HA   ARG  26           HA       ARG  26 -15.510   0.888   0.888
  223   1HB   ARG  26          1HB       ARG  26 -13.579   3.079   3.079
  224   2HB   ARG  26          2HB       ARG  26 -15.004   3.405   3.405
  225   1HG   ARG  26          1HG       ARG  26 -14.029   1.684   1.684
  226   2HG   ARG  26          2HG       ARG  26 -12.504   1.822   1.822
  227   1HD   ARG  26          1HD       ARG  26 -12.269   4.202   4.202
  228   2HD   ARG  26          2HD       ARG  26 -13.967   4.310   4.310
  229    HE   ARG  26           HE       ARG  26 -12.696   2.185   2.185
  230   1HH1  ARG  26          2HH2      ARG  26 -12.602   5.640   5.640
  231   2HH1  ARG  26          1HH2      ARG  26 -12.458   5.816   5.816
  232   1HH2  ARG  26          1HH1      ARG  26 -12.544   2.388   2.388
  233   2HH2  ARG  26          2HH1      ARG  26 -12.419   4.024   4.024
  234    H    ALA  27           H        ALA  27 -15.521  -0.029  -0.029
  235    HA   ALA  27           HA       ALA  27 -18.322   0.983   0.983
  236   1HB   ALA  27          3HB       ALA  27 -17.244   1.058   1.058
  237   2HB   ALA  27          1HB       ALA  27 -16.872  -0.677  -0.677
  238   3HB   ALA  27          2HB       ALA  27 -18.561  -0.132  -0.132
  239    H    GLU  28           H        GLU  28 -16.297  -2.047  -2.047
  240    HA   GLU  28           HA       GLU  28 -18.750  -3.583  -3.583
  241   1HB   GLU  28          1HB       GLU  28 -17.469  -5.404  -5.404
  242   2HB   GLU  28          2HB       GLU  28 -16.500  -4.487  -4.487
  243   1HG   GLU  28          2HG       GLU  28 -15.257  -3.640  -3.640
  244   2HG   GLU  28          1HG       GLU  28 -16.090  -4.799  -4.799
  245    HE1  GLU  28           HE2      GLU  28 -14.306  -7.536  -7.536
  246    H    GLN  29           H        GLN  29 -16.453  -1.779  -1.779
  247    HA   GLN  29           HA       GLN  29 -18.268  -1.906  -1.906
  248   1HB   GLN  29          2HB       GLN  29 -16.217   0.295   0.295
  249   2HB   GLN  29          1HB       GLN  29 -17.018   0.075   0.075
  250   1HG   GLN  29          2HG       GLN  29 -15.823  -2.212  -2.212
  251   2HG   GLN  29          1HG       GLN  29 -14.882  -1.727  -1.727
  252   1HE2  GLN  29          2HE2      GLN  29 -13.121  -0.709  -0.709
  253   2HE2  GLN  29          1HE2      GLN  29 -13.933  -2.256  -2.256
  254    H    ALA  30           H        ALA  30 -18.289   0.141   0.141
  255    HA   ALA  30           HA       ALA  30 -19.148   2.283   2.283
  256   1HB   ALA  30          1HB       ALA  30 -21.387   1.290   1.290
  257   2HB   ALA  30          2HB       ALA  30 -21.164   1.903   1.903
  258   3HB   ALA  30          3HB       ALA  30 -21.296   3.039   3.039
  259    H    SER  31           H        SER  31 -19.215   2.340   2.340
  260    HA   SER  31           HA       SER  31 -17.234   4.728   4.728
  261   1HB   SER  31          1HB       SER  31 -19.384   5.419   5.419
  262   2HB   SER  31          2HB       SER  31 -19.413   4.025   4.025
  263    HG   SER  31           HG       SER  31 -17.460   4.803   4.803
  264    HXT  SER  31           HO        OH  32 -15.274   1.893   1.893