*HEADER    PLANT DEFENSIN                          15-JUL-98   1BK8      
*TITLE     DETERMINATION OF THE THREE-DIMENSIONAL SOLUTION STRUCTURE     
*TITLE    2 OF AESCULUS HIPPOCASTANUM ANTIMICROBIAL PROTEIN 1 (AH-AMP1)  
*TITLE    3 BY 1H NMR, 25 STRUCTURES                                     
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: ANTIMICROBIAL PROTEIN 1;                           
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: AH-AMP1;                                            
*COMPND   5 BIOLOGICAL_UNIT: MONOMER                                     
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: AESCULUS HIPPOCASTANUM;                 
*SOURCE   3 ORGANISM_COMMON: HORSE CHESTNUT;                             
*SOURCE   4 ORGAN: SEED                                                  
*KEYWDS    PLANT DEFENSIN, ANTIMICROBIAL, CYSTEINE-STABILIZED ALFA/      
*KEYWDS   2 BETA MOTIF                                                   
*EXPDTA    NMR, 25 STRUCTURES                                            
*AUTHOR    F.FANT,F.A.M.BORREMANS                                        
*REVDAT   1   12-OCT-04 1BK8    0   

!BIOSYM restraint 1                                                             
!                                                                               
#chiral                                                                         
1:LEU_1:CA         S                                                            
1:CYS_2:CA         R                                                            
1:ASN_3:CA         S                                                            
1:GLU_4:CA         S                                                            
1:ARG_5:CA        S                                                             
1:PRO_6:CA         S                                                            
1:SER_7:CA         S                                                            
1:GLN_8:CA         S                                                            
1:THR_9:CA         S                                                            
1:TRP_10:CA        S                                                            
1:SER_11:CA        S                                                            
1:ASN_13:CA        S                                                            
1:CYS_14:CA        R                                                            
1:ASN_16:CA        S                                                            
1:THR_17:CA        S                                                            
1:ALA_18:CA        S                                                            
1:HIS_19:CA        S                                                            
1:CYS_20:CA        R                                                            
1:ASP_21:CA        S                                                            
1:LYS_22:CA       S                                                             
1:GLN_23:CA        S                                                            
1:CYS_24:CA        R                                                            
1:GLN_25:CA        S                                                            
1:ASP_26:CA        S                                                            
1:TRP_27:CA        S                                                            
1:GLU_28:CA        S                                                            
1:LYS_29:CA       S                                                             
1:ALA_30:CA        S                                                            
1:SER_31:CA        S                                                            
1:HIS_32:CA        S                                                            
1:ALA_34:CA        S                                                            
1:CYS_35:CA        R                                                            
1:HIS_36:CA        S                                                            
1:LYS_37:CA       S                                                             
1:ARG_38:CA       S                                                             
1:GLU_39:CA        S                                                            
1:ASN_40:CA        S                                                            
1:HIS_41:CA        S                                                            
1:TRP_42:CA        S                                                            
1:LYS_43:CA       S                                                             
1:CYS_44:CA        R                                                            
1:PHE_45:CA        S                                                            
1:CYS_46:CA        R                                                            
1:TYR_47:CA        S                                                            
1:PHE_48:CA        S                                                            
1:ASN_49:CA        S                                                            
1:CYS_50:CA        R                                                            
1:THR_9:CB         R                                                            
1:THR_17:CB        R                                                            
!                                                                               
#distance                                                                       
1:LEU_1:HA         1:CYS_2:HN         1.800  2.640  32.00  32.00  320.000       
1:LEU_1:HB*         1:CYS_2:HN         1.800  4.290  32.00  32.00  320.000      
1:LEU_1:HD*        1:CYS_2:HN         1.800  8.140  32.00  32.00  320.000       
1:LEU_1:HD*        1:CYS_2:HA         1.800  8.140  32.00  32.00  320.000       
1:LEU_1:HD*        1:ASN_3:HA          1.800  8.140  32.00  32.00  320.000      
1:LEU_1:HD*        1:ASN_49:HB*         1.800  9.240  32.00  32.00  320.000     
1:LEU_1:HD*        1:CYS_50:HA        1.800  8.140  32.00  32.00  320.000       
1:CYS_2:HN        1:CYS_2:HB1        1.800  3.520  32.00  32.00  320.000        
1:CYS_2:HN        1:CYS_2:HB2        1.800  3.520  32.00  32.00  320.000        
1:CYS_2:HN        1:ASN_3:HN          1.800  5.500  32.00  32.00  320.000       
1:CYS_2:HN        1:CYS_50:HA        1.800  4.070  32.00  32.00  320.000        
1:CYS_2:HN        1:CYS_50:HB1       1.800  4.400  32.00  32.00  320.000        
1:CYS_2:HA        1:TYR_47:CG         1.800  7.700  32.00  32.00  320.000       
1:CYS_2:HA        1:CYS_50:HA        1.800  3.300  32.00  32.00  320.000        
1:CYS_2:HA        1:CYS_50:HB1       1.800  5.500  32.00  32.00  320.000        
1:CYS_2:HB1       1:TYR_47:CG         1.800  5.500  32.00  32.00  320.000       
1:CYS_2:HB2       1:TYR_47:CG         1.800  5.500  32.00  32.00  320.000       
1:CYS_2:HB*        1:ASN_3:HN          1.800  6.380  32.00  32.00  320.000      
1:CYS_2:HB*        1:TYR_47:HB*         1.800  7.250  32.00  32.00  320.000     
1:CYS_2:HB*        1:TYR_47:CZ         1.800  8.580  32.00  32.00  320.000      
1:CYS_2:HB*        1:CYS_50:HA        1.800  4.620  32.00  32.00  320.000       
1:ASN_3:HN         1:ASN_3:HD2*         1.800  6.370  32.00  32.00  320.000     
1:ASN_3:HN         1:GLU_4:HN          1.800  5.500  32.00  32.00  320.000      
1:ASN_3:HN         1:PHE_48:HN         1.800  3.410  32.00  32.00  320.000      
1:ASN_3:HA         1:GLU_4:HN          1.800  3.080  32.00  32.00  320.000      
1:ASN_3:HB1        1:GLU_4:HN          1.800  5.500  32.00  32.00  320.000      
1:ASN_3:HB1        1:ARG_5:HE         1.800  5.500  32.00  32.00  320.000       
1:ASN_3:HB1        1:ASN_49:HD21       1.800  5.500  32.00  32.00  320.000      
1:ASN_3:HB1        1:ASN_49:HD22       1.800  5.500  32.00  32.00  320.000      
1:ASN_3:HB2        1:GLU_4:HN          1.800  5.500  32.00  32.00  320.000      
1:ASN_3:HB2        1:ARG_5:HE         1.800  5.500  32.00  32.00  320.000       
1:ASN_3:HB2        1:ASN_49:HD21       1.800  5.500  32.00  32.00  320.000      
1:ASN_3:HB2        1:ASN_49:HD22       1.800  5.500  32.00  32.00  320.000      
1:ASN_3:HB*         1:ARG_5:HG*         1.800  6.150  32.00  32.00  320.000     
1:ASN_3:HD2*        1:ASN_49:HB*         1.800  6.260  32.00  32.00  320.000    
1:GLU_4:HN         1:GLU_4:HB*          1.800  3.520  32.00  32.00  320.000     
1:GLU_4:HN         1:GLU_4:HG1         1.800  4.070  32.00  32.00  320.000      
1:GLU_4:HA         1:GLU_4:HG2         1.800  3.190  32.00  32.00  320.000      
1:GLU_4:HA         1:ARG_5:HN         1.800  2.640  32.00  32.00  320.000       
1:GLU_4:HA         1:TYR_47:HA         1.800  2.970  32.00  32.00  320.000      
1:GLU_4:HA         1:TYR_47:CG         1.800  6.160  32.00  32.00  320.000      
1:GLU_4:HA         1:TYR_47:CZ         1.800  6.050  32.00  32.00  320.000      
1:GLU_4:HB*         1:PHE_45:HB2        1.800  6.600  32.00  32.00  320.000     
1:GLU_4:HB*         1:PHE_45:CG         1.800  7.480  32.00  32.00  320.000     
1:GLU_4:HB*         1:TYR_47:CG         1.800  7.480  32.00  32.00  320.000     
1:GLU_4:HB*         1:TYR_47:CZ         1.800  6.600  32.00  32.00  320.000     
1:GLU_4:HG1        1:ARG_5:HN         1.800  3.410  32.00  32.00  320.000       
1:GLU_4:HG1        1:HIS_36:HD2       1.800  5.500  32.00  32.00  320.000       
1:GLU_4:HG1        1:PHE_45:CG         1.800  7.700  32.00  32.00  320.000      
1:GLU_4:HG2        1:HIS_36:HD2       1.800  4.730  32.00  32.00  320.000       
1:GLU_4:HG2        1:PHE_45:CG         1.800  5.940  32.00  32.00  320.000      
1:GLU_4:HG2        1:TYR_47:CG         1.800  6.710  32.00  32.00  320.000      
1:GLU_4:HG2        1:TYR_47:CZ         1.800  5.830  32.00  32.00  320.000      
1:ARG_5:N         1:CYS_46:O         1.800  3.000  32.00  32.00  320.000        
1:ARG_5:HN        1:ARG_5:HB*         1.800  3.730  32.00  32.00  320.000       
1:ARG_5:HN        1:ARG_5:HG*         1.800  6.380  32.00  32.00  320.000       
1:ARG_5:HN        1:ARG_5:HD*         1.800  6.380  32.00  32.00  320.000       
1:ARG_5:HN        1:PHE_45:HB2        1.800  5.500  32.00  32.00  320.000       
1:ARG_5:HN        1:PHE_45:CG         1.800  7.700  32.00  32.00  320.000       
1:ARG_5:HN        1:CYS_46:HN        1.800  3.410  32.00  32.00  320.000        
1:ARG_5:HN        1:CYS_46:O         1.800  2.000  32.00  32.00  320.000        
1:ARG_5:HN        1:TYR_47:CG         1.800  7.700  32.00  32.00  320.000       
1:ARG_5:HN        1:TYR_47:CZ         1.800  7.700  32.00  32.00  320.000       
1:ARG_5:HN        1:PHE_48:CZ         1.800  7.480  32.00  32.00  320.000       
1:ARG_5:HA        1:ARG_5:HG*         1.800  3.680  32.00  32.00  320.000       
1:ARG_5:HA        1:PRO_6:HG1         1.800  4.730  32.00  32.00  320.000       
1:ARG_5:HA        1:PRO_6:HD1         1.800  2.750  32.00  32.00  320.000       
1:ARG_5:HA        1:PRO_6:HD2         1.800  2.750  32.00  32.00  320.000       
1:ARG_5:HA        1:PRO_6:HD*          1.800  2.550  32.00  32.00  320.000      
1:ARG_5:HA        1:PHE_45:CG         1.800  7.150  32.00  32.00  320.000       
1:ARG_5:HB1       1:PRO_6:HD1         1.800  5.270  32.00  32.00  320.000       
1:ARG_5:HB1       1:PRO_6:HD2         1.800  5.270  32.00  32.00  320.000       
1:ARG_5:HB2       1:PRO_6:HD1         1.800  5.270  32.00  32.00  320.000       
1:ARG_5:HB2       1:PRO_6:HD2         1.800  5.270  32.00  32.00  320.000       
1:ARG_5:HB*        1:ARG_5:HD*         1.800  3.600  32.00  32.00  320.000      
1:ARG_5:HB*        1:ARG_5:HE         1.800  4.730  32.00  32.00  320.000       
1:ARG_5:HB*        1:PRO_6:HD*          1.800  4.090  32.00  32.00  320.000     
1:ARG_5:HB*        1:PHE_48:CG         1.800  6.930  32.00  32.00  320.000      
1:ARG_5:HB*        1:PHE_48:CZ         1.800  6.820  32.00  32.00  320.000      
1:ARG_5:HG*        1:ARG_5:HE         1.800  3.700  32.00  32.00  320.000       
1:ARG_5:HG*        1:PRO_6:HA          1.800  5.720  32.00  32.00  320.000      
1:ARG_5:HG*        1:PRO_6:HD*          1.800  6.150  32.00  32.00  320.000     
1:ARG_5:HG*        1:PHE_48:CZ         1.800  6.710  32.00  32.00  320.000      
1:ARG_5:HD1       1:PRO_6:HD1         1.800  7.250  32.00  32.00  320.000       
1:ARG_5:HD1       1:PRO_6:HD2         1.800  7.250  32.00  32.00  320.000       
1:ARG_5:HD2       1:PRO_6:HD1         1.800  7.250  32.00  32.00  320.000       
1:ARG_5:HD2       1:PRO_6:HD2         1.800  7.250  32.00  32.00  320.000       
1:ARG_5:HD*        1:PRO_6:HD*          1.800  6.100  32.00  32.00  320.000     
1:ARG_5:HD*        1:PHE_48:CG         1.800  8.580  32.00  32.00  320.000      
1:ARG_5:HD*        1:PHE_48:CZ         1.800  7.150  32.00  32.00  320.000      
1:PRO_6:HA         1:SER_7:HN          1.800  3.190  32.00  32.00  320.000      
1:PRO_6:HA         1:HIS_36:HD2       1.800  5.500  32.00  32.00  320.000       
1:PRO_6:HA         1:PHE_45:HA         1.800  3.080  32.00  32.00  320.000      
1:PRO_6:HA         1:PHE_45:CG         1.800  5.610  32.00  32.00  320.000      
1:PRO_6:HA         1:CYS_46:HN        1.800  4.400  32.00  32.00  320.000       
1:PRO_6:HB1        1:SER_7:HB1         1.800  5.500  32.00  32.00  320.000      
1:PRO_6:HB2        1:SER_7:HN          1.800  3.630  32.00  32.00  320.000      
1:PRO_6:HB2        1:PHE_45:CZ         1.800  5.940  32.00  32.00  320.000      
1:PRO_6:HD1        1:PHE_45:CG         1.800  7.700  32.00  32.00  320.000      
1:PRO_6:HD2        1:PHE_45:CG         1.800  7.700  32.00  32.00  320.000      
1:SER_7:HN         1:SER_7:HB2         1.800  3.080  32.00  32.00  320.000      
1:SER_7:HN         1:PHE_45:HA         1.800  3.520  32.00  32.00  320.000      
1:SER_7:HN         1:PHE_45:CG         1.800  6.930  32.00  32.00  320.000      
1:SER_7:HN         1:CYS_46:HN        1.800  5.500  32.00  32.00  320.000       
1:SER_7:HA         1:SER_7:HB1         1.800  2.750  32.00  32.00  320.000      
1:SER_7:HA         1:SER_7:HB2         1.800  2.640  32.00  32.00  320.000      
1:SER_7:HA         1:TRP_10:HN         1.800  5.500  32.00  32.00  320.000      
1:SER_7:HA         1:TRP_10:HD1        1.800  5.500  32.00  32.00  320.000      
1:SER_7:HA         1:PHE_45:HA         1.800  5.390  32.00  32.00  320.000      
1:SER_7:HB1        1:GLN_8:HN          1.800  3.740  32.00  32.00  320.000      
1:SER_7:HB1        1:TRP_10:HD1        1.800  5.500  32.00  32.00  320.000      
1:SER_7:HB2        1:TRP_10:HB2        1.800  5.500  32.00  32.00  320.000      
1:GLN_8:HN         1:GLN_8:HB1         1.800  3.520  32.00  32.00  320.000      
1:GLN_8:HN         1:GLN_8:HB2         1.800  3.520  32.00  32.00  320.000      
1:GLN_8:HN         1:GLN_8:HB*          1.800  3.140  32.00  32.00  320.000     
1:GLN_8:HN         1:GLN_8:HG1         1.800  3.740  32.00  32.00  320.000      
1:GLN_8:HN         1:GLN_8:HG2         1.800  3.740  32.00  32.00  320.000      
1:GLN_8:HN         1:GLN_8:HG*          1.800  3.580  32.00  32.00  320.000     
1:GLN_8:HN         1:THR_9:HN          1.800  3.080  32.00  32.00  320.000      
1:GLN_8:HN         1:THR_9:HG2*         1.800  6.600  32.00  32.00  320.000     
1:GLN_8:HN         1:TRP_10:HN         1.800  5.500  32.00  32.00  320.000      
1:GLN_8:HA         1:GLN_8:HG*          1.800  3.670  32.00  32.00  320.000     
1:GLN_8:HB1        1:THR_9:HG2*         1.800  6.600  32.00  32.00  320.000     
1:GLN_8:HB2        1:THR_9:HG2*         1.800  6.600  32.00  32.00  320.000     
1:THR_9:HN         1:TRP_10:HN         1.800  2.860  32.00  32.00  320.000      
1:THR_9:HA         1:THR_9:HB          1.800  2.640  32.00  32.00  320.000      
1:THR_9:HA         1:THR_9:HG2*         1.800  3.740  32.00  32.00  320.000     
1:THR_9:HA         1:TRP_27:HE3        1.800  5.500  32.00  32.00  320.000      
1:THR_9:HB         1:GLN_23:HE22       1.800  3.740  32.00  32.00  320.000      
1:THR_9:HB         1:TRP_27:HE3        1.800  3.740  32.00  32.00  320.000      
1:THR_9:HB         1:TRP_27:HZ3        1.800  3.630  32.00  32.00  320.000      
1:THR_9:HG2*        1:TRP_10:HN         1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:TRP_27:HA         1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:TRP_27:HB1        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:TRP_27:HB2        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:TRP_27:HD1        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:TRP_27:HE3        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:TRP_27:HZ3        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:TRP_27:HH2        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:GLU_28:HG1        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:GLU_28:HG2        1.800  6.600  32.00  32.00  320.000     
1:THR_9:HG2*        1:GLU_28:HG*         1.800  6.380  32.00  32.00  320.000    
1:TRP_10:HN        1:TRP_10:HB1        1.800  2.860  32.00  32.00  320.000      
1:TRP_10:HN        1:TRP_10:HB2        1.800  2.860  32.00  32.00  320.000      
1:TRP_10:HN        1:TRP_10:HE3        1.800  5.500  32.00  32.00  320.000      
1:TRP_10:HA        1:TRP_10:HB1        1.800  2.860  32.00  32.00  320.000      
1:TRP_10:HA        1:TRP_10:HE3        1.800  5.500  32.00  32.00  320.000      
1:TRP_10:HA        1:GLN_23:HE22       1.800  3.300  32.00  32.00  320.000      
1:TRP_10:HB1       1:TRP_10:HZ3        1.800  4.950  32.00  32.00  320.000      
1:TRP_10:HB1       1:CYS_44:HN        1.800  5.500  32.00  32.00  320.000       
1:TRP_10:HB1       1:CYS_44:HB2       1.800  4.070  32.00  32.00  320.000       
1:TRP_10:HB2       1:CYS_44:HB2       1.800  5.500  32.00  32.00  320.000       
1:TRP_10:HD1       1:SER_11:HA         1.800  4.400  32.00  32.00  320.000      
1:TRP_10:HD1       1:LYS_43:HA        1.800  5.060  32.00  32.00  320.000       
1:TRP_10:HD1       1:CYS_44:HN        1.800  4.070  32.00  32.00  320.000       
1:TRP_10:HD1       1:CYS_44:HB1       1.800  5.500  32.00  32.00  320.000       
1:TRP_10:HD1       1:CYS_44:HB2       1.800  5.500  32.00  32.00  320.000       
1:TRP_10:HE3       1:GLN_23:HB1        1.800  4.070  32.00  32.00  320.000      
1:TRP_10:HE3       1:GLN_23:HB2        1.800  4.070  32.00  32.00  320.000      
1:TRP_10:HE3       1:GLN_23:HB*         1.800  3.450  32.00  32.00  320.000     
1:TRP_10:HE3       1:GLN_23:HE21       1.800  5.500  32.00  32.00  320.000      
1:TRP_10:HE1       1:CYS_14:HB*        1.800  4.950  32.00  32.00  320.000      
1:TRP_10:HZ3       1:HIS_19:HA        1.800  4.620  32.00  32.00  320.000       
1:TRP_10:HZ3       1:HIS_19:HB2       1.800  3.850  32.00  32.00  320.000       
1:TRP_10:HZ3       1:HIS_19:HB1       1.800  3.850  32.00  32.00  320.000       
1:TRP_10:HZ3       1:HIS_19:HB*        1.800  3.530  32.00  32.00  320.000      
1:TRP_10:HZ3       1:HIS_19:HD2       1.800  4.180  32.00  32.00  320.000       
1:TRP_10:HZ3       1:CYS_20:HN        1.800  4.180  32.00  32.00  320.000       
1:TRP_10:HZ3       1:CYS_20:HA        1.800  3.190  32.00  32.00  320.000       
1:TRP_10:HZ3       1:CYS_20:HB1       1.800  5.500  32.00  32.00  320.000       
1:TRP_10:HZ3       1:CYS_20:HB2       1.800  5.500  32.00  32.00  320.000       
1:TRP_10:HZ3       1:GLN_23:HA         1.800  5.500  32.00  32.00  320.000      
1:TRP_10:HZ3       1:GLN_23:HB1        1.800  5.500  32.00  32.00  320.000      
1:TRP_10:HZ3       1:GLN_23:HB2        1.800  5.500  32.00  32.00  320.000      
1:TRP_10:HZ3       1:GLN_23:HB*         1.800  4.670  32.00  32.00  320.000     
1:TRP_10:HZ3       1:GLN_23:HG*         1.800  6.380  32.00  32.00  320.000     
1:TRP_10:HZ2       1:CYS_14:HA        1.800  3.410  32.00  32.00  320.000       
1:TRP_10:HZ2       1:CYS_14:HB*        1.800  6.380  32.00  32.00  320.000      
1:TRP_10:HZ2       1:GLY_15:HN         1.800  3.740  32.00  32.00  320.000      
1:TRP_10:HH2       1:HIS_19:HB*        1.800  3.960  32.00  32.00  320.000      
1:TRP_10:HH2       1:CYS_20:HA        1.800  5.500  32.00  32.00  320.000       
1:TRP_10:HH2       1:GLN_23:HG*         1.800  6.380  32.00  32.00  320.000     
1:SER_11:HN        1:SER_11:HB*         1.800  3.850  32.00  32.00  320.000     
1:SER_11:HN        1:GLY_12:HN         1.800  5.500  32.00  32.00  320.000      
1:SER_11:HA        1:GLY_12:HN         1.800  3.300  32.00  32.00  320.000      
1:GLY_12:HN        1:ASN_13:HN         1.800  5.500  32.00  32.00  320.000      
1:GLY_12:HA1       1:ASN_13:HN         1.800  3.190  32.00  32.00  320.000      
1:GLY_12:HA2       1:ASN_13:HN         1.800  3.190  32.00  32.00  320.000      
1:GLY_12:HA*        1:ASN_13:HN         1.800  2.900  32.00  32.00  320.000     
1:ASN_13:HN        1:ASN_13:HB1        1.800  2.860  32.00  32.00  320.000      
1:ASN_13:HN        1:ASN_13:HB2        1.800  2.750  32.00  32.00  320.000      
1:ASN_13:HN        1:ASN_13:HD2*        1.800  6.370  32.00  32.00  320.000     
1:ASN_13:HA        1:ASN_13:HB1        1.800  2.970  32.00  32.00  320.000      
1:ASN_13:HA        1:CYS_14:HN        1.800  3.080  32.00  32.00  320.000       
1:ASN_13:HB1       1:CYS_14:HN        1.800  4.070  32.00  32.00  320.000       
1:ASN_13:HB2       1:CYS_14:HN        1.800  3.850  32.00  32.00  320.000       
1:CYS_14:HN       1:CYS_14:HB1       1.800  3.190  32.00  32.00  320.000        
1:CYS_14:HN       1:CYS_14:HB2       1.800  3.190  32.00  32.00  320.000        
1:CYS_14:HN       1:CYS_14:HB*        1.800  3.010  32.00  32.00  320.000       
1:CYS_14:HN       1:TRP_42:HB1        1.800  3.300  32.00  32.00  320.000       
1:CYS_14:HN       1:TRP_42:HB2        1.800  3.300  32.00  32.00  320.000       
1:GLY_15:HN        1:GLY_15:HA2        1.800  2.750  32.00  32.00  320.000      
1:GLY_15:HN        1:ASN_16:HN         1.800  2.970  32.00  32.00  320.000      
1:GLY_15:HA1       1:ASN_16:HN         1.800  3.520  32.00  32.00  320.000      
1:GLY_15:HA2       1:ASN_16:HN         1.800  3.410  32.00  32.00  320.000      
1:ASN_16:HN        1:ASN_16:HB1        1.800  3.740  32.00  32.00  320.000      
1:ASN_16:HN        1:ASN_16:HB2        1.800  3.740  32.00  32.00  320.000      
1:ASN_16:HN        1:ASN_16:HB*         1.800  3.360  32.00  32.00  320.000     
1:ASN_16:HB1       1:ASN_16:HD22       1.800  3.850  32.00  32.00  320.000      
1:ASN_16:HB1       1:HIS_19:HN        1.800  5.500  32.00  32.00  320.000       
1:ASN_16:HB1       1:HIS_19:HB2       1.800  5.380  32.00  32.00  320.000       
1:ASN_16:HB1       1:HIS_19:HB1       1.800  5.380  32.00  32.00  320.000       
1:ASN_16:HB2       1:ASN_16:HD22       1.800  3.850  32.00  32.00  320.000      
1:ASN_16:HB2       1:HIS_19:HN        1.800  5.500  32.00  32.00  320.000       
1:ASN_16:HB2       1:HIS_19:HB2       1.800  5.380  32.00  32.00  320.000       
1:ASN_16:HB2       1:HIS_19:HB1       1.800  5.380  32.00  32.00  320.000       
1:ASN_16:HB*        1:ASN_16:HD22       1.800  3.530  32.00  32.00  320.000     
1:ASN_16:HB*        1:HIS_19:HN        1.800  4.810  32.00  32.00  320.000      
1:ASN_16:HB*        1:HIS_19:HB*        1.800  4.140  32.00  32.00  320.000     
1:ASN_16:HD22      1:ALA_18:HB*         1.800  6.600  32.00  32.00  320.000     
1:THR_17:HN        1:THR_17:HB         1.800  2.750  32.00  32.00  320.000      
1:THR_17:HN        1:ALA_18:HN         1.800  3.080  32.00  32.00  320.000      
1:THR_17:HN        1:ALA_18:HB*         1.800  6.600  32.00  32.00  320.000     
1:THR_17:HA        1:ALA_18:HB*         1.800  6.600  32.00  32.00  320.000     
1:THR_17:HA        1:HIS_19:HN        1.800  5.500  32.00  32.00  320.000       
1:THR_17:HA        1:CYS_20:HB1       1.800  5.500  32.00  32.00  320.000       
1:THR_17:HA        1:CYS_20:HB2       1.800  5.500  32.00  32.00  320.000       
1:THR_17:HA        1:ALA_34:HB*         1.800  6.600  32.00  32.00  320.000     
1:THR_17:HA        1:CYS_35:HN        1.800  3.410  32.00  32.00  320.000       
1:THR_17:HA        1:CYS_35:HB*        1.800  4.840  32.00  32.00  320.000      
1:THR_17:HB        1:ALA_18:HN         1.800  5.500  32.00  32.00  320.000      
1:THR_17:HB        1:CYS_20:HB1       1.800  4.840  32.00  32.00  320.000       
1:THR_17:HB        1:ALA_34:HA         1.800  5.500  32.00  32.00  320.000      
1:THR_17:HB        1:CYS_35:HN        1.800  3.740  32.00  32.00  320.000       
1:THR_17:HG2*       1:ALA_18:HN         1.800  6.160  32.00  32.00  320.000     
1:THR_17:HG2*       1:ALA_18:HA         1.800  6.600  32.00  32.00  320.000     
1:THR_17:HG2*       1:HIS_19:HN        1.800  6.600  32.00  32.00  320.000      
1:THR_17:HG2*       1:ASP_21:HN         1.800  6.600  32.00  32.00  320.000     
1:THR_17:HG2*       1:ALA_34:HA         1.800  6.600  32.00  32.00  320.000     
1:THR_17:HG2*       1:CYS_35:HN        1.800  6.600  32.00  32.00  320.000      
1:THR_17:O         1:ASP_21:N          1.800  3.000  32.00  32.00  320.000      
1:THR_17:O         1:ASP_21:HN         1.800  2.000  32.00  32.00  320.000      
1:ALA_18:HN        1:HIS_19:HN        1.800  5.500  32.00  32.00  320.000       
1:ALA_18:HN        1:CYS_20:HN        1.800  5.500  32.00  32.00  320.000       
1:ALA_18:HA        1:ASP_21:HN         1.800  4.070  32.00  32.00  320.000      
1:ALA_18:HA        1:ASP_21:HB*         1.800  4.070  32.00  32.00  320.000     
1:ALA_18:HA        1:LYS_22:HN        1.800  4.730  32.00  32.00  320.000       
1:ALA_18:HB*        1:HIS_19:HA        1.800  6.600  32.00  32.00  320.000      
1:HIS_19:HN       1:HIS_19:HB2       1.800  3.080  32.00  32.00  320.000        
1:HIS_19:HN       1:HIS_19:HB1       1.800  3.080  32.00  32.00  320.000        
1:HIS_19:HN       1:HIS_19:HB*        1.800  2.790  32.00  32.00  320.000       
1:HIS_19:HN       1:CYS_20:HN        1.800  2.970  32.00  32.00  320.000        
1:HIS_19:HN       1:CYS_20:HB2       1.800  4.840  32.00  32.00  320.000        
1:HIS_19:HN       1:LYS_22:HN        1.800  5.500  32.00  32.00  320.000        
1:HIS_19:HA       1:HIS_19:HD2       1.800  3.080  32.00  32.00  320.000        
1:HIS_19:HA       1:LYS_22:HN        1.800  5.500  32.00  32.00  320.000        
1:HIS_19:HA       1:LYS_22:HB*        1.800  4.510  32.00  32.00  320.000       
1:HIS_19:HA       1:LYS_22:HD*        1.800  6.600  32.00  32.00  320.000       
1:HIS_19:HA       1:GLN_23:HN         1.800  5.500  32.00  32.00  320.000       
1:HIS_19:HB*       1:CYS_20:HN        1.800  4.510  32.00  32.00  320.000       
1:HIS_19:HD2      1:LYS_22:HB*        1.800  5.830  32.00  32.00  320.000       
1:HIS_19:HD2      1:LYS_22:HG1       1.800  5.500  32.00  32.00  320.000        
1:HIS_19:HD2      1:LYS_22:HG2       1.800  3.740  32.00  32.00  320.000        
1:HIS_19:HD2      1:GLN_23:HB1        1.800  5.500  32.00  32.00  320.000       
1:HIS_19:HD2      1:GLN_23:HB2        1.800  5.500  32.00  32.00  320.000       
1:HIS_19:HD2      1:GLN_23:HB*         1.800  5.270  32.00  32.00  320.000      
1:HIS_19:HD2      1:GLN_23:HG*         1.800  6.380  32.00  32.00  320.000      
1:HIS_19:O        1:GLN_23:N          1.800  3.000  32.00  32.00  320.000       
1:HIS_19:O        1:GLN_23:HN         1.800  2.000  32.00  32.00  320.000       
1:CYS_20:HN       1:CYS_20:HB1       1.800  3.080  32.00  32.00  320.000        
1:CYS_20:HN       1:CYS_20:HB2       1.800  2.750  32.00  32.00  320.000        
1:CYS_20:HN       1:ASP_21:HN         1.800  5.500  32.00  32.00  320.000       
1:CYS_20:HA       1:GLN_23:HB*         1.800  6.380  32.00  32.00  320.000      
1:CYS_20:HB1      1:ASP_21:HN         1.800  5.500  32.00  32.00  320.000       
1:CYS_20:HB2      1:ASP_21:HN         1.800  5.500  32.00  32.00  320.000       
1:CYS_20:HB2      1:CYS_35:HN        1.800  5.500  32.00  32.00  320.000        
1:ASP_21:HN        1:LYS_22:HN        1.800  3.080  32.00  32.00  320.000       
1:ASP_21:HN        1:LYS_22:HG2       1.800  4.730  32.00  32.00  320.000       
1:ASP_21:HA        1:CYS_24:HN        1.800  5.500  32.00  32.00  320.000       
1:ASP_21:HA        1:CYS_24:HB1       1.800  5.500  32.00  32.00  320.000       
1:ASP_21:HA        1:CYS_24:HB2       1.800  5.500  32.00  32.00  320.000       
1:ASP_21:HA        1:GLY_33:HN         1.800  2.860  32.00  32.00  320.000      
1:ASP_21:HA        1:GLY_33:HA1        1.800  3.410  32.00  32.00  320.000      
1:ASP_21:HA        1:ALA_34:HN         1.800  5.500  32.00  32.00  320.000      
1:ASP_21:HA        1:TYR_47:CG         1.800  7.700  32.00  32.00  320.000      
1:ASP_21:HB*        1:LYS_22:HN        1.800  4.290  32.00  32.00  320.000      
1:ASP_21:HB*        1:GLY_33:HN         1.800  6.380  32.00  32.00  320.000     
1:LYS_22:HN       1:LYS_22:HB*        1.800  3.410  32.00  32.00  320.000       
1:LYS_22:HN       1:LYS_22:HG1       1.800  3.740  32.00  32.00  320.000        
1:LYS_22:HN       1:LYS_22:HG2       1.800  3.850  32.00  32.00  320.000        
1:LYS_22:HN       1:GLN_23:HN         1.800  2.970  32.00  32.00  320.000       
1:LYS_22:HA       1:LYS_22:HG1       1.800  3.410  32.00  32.00  320.000        
1:LYS_22:HA       1:LYS_22:HG2       1.800  3.080  32.00  32.00  320.000        
1:LYS_22:HA       1:LYS_22:HD*        1.800  4.730  32.00  32.00  320.000       
1:LYS_22:HA       1:GLN_25:HN         1.800  5.500  32.00  32.00  320.000       
1:LYS_22:HA       1:GLN_25:HB1        1.800  3.520  32.00  32.00  320.000       
1:LYS_22:HA       1:GLN_25:HG*         1.800  6.600  32.00  32.00  320.000      
1:LYS_22:HA       1:ASP_26:HN         1.800  4.510  32.00  32.00  320.000       
1:LYS_22:HB*       1:LYS_22:HE*        1.800  7.700  32.00  32.00  320.000      
1:LYS_22:HB*       1:GLN_23:HN         1.800  4.510  32.00  32.00  320.000      
1:LYS_22:HB*       1:TRP_27:HD1        1.800  6.600  32.00  32.00  320.000      
1:LYS_22:HG1      1:GLN_23:HN         1.800  4.730  32.00  32.00  320.000       
1:LYS_22:HG2      1:GLN_23:HN         1.800  4.070  32.00  32.00  320.000       
1:LYS_22:O        1:ASP_26:N          1.800  3.000  32.00  32.00  320.000       
1:LYS_22:O        1:ASP_26:HN         1.800  2.000  32.00  32.00  320.000       
1:GLN_23:HN        1:GLN_23:HG1        1.800  5.500  32.00  32.00  320.000      
1:GLN_23:HN        1:GLN_23:HG2        1.800  5.500  32.00  32.00  320.000      
1:GLN_23:HA        1:GLN_23:HE22       1.800  5.500  32.00  32.00  320.000      
1:GLN_23:HA        1:ASP_26:HN         1.800  3.850  32.00  32.00  320.000      
1:GLN_23:HA        1:ASP_26:HB1        1.800  3.850  32.00  32.00  320.000      
1:GLN_23:HA        1:TRP_27:HN         1.800  3.630  32.00  32.00  320.000      
1:GLN_23:HA        1:TRP_27:HD1        1.800  3.190  32.00  32.00  320.000      
1:GLN_23:HA        1:TRP_27:HE1        1.800  4.950  32.00  32.00  320.000      
1:GLN_23:HG*        1:GLN_23:HE22       1.800  3.750  32.00  32.00  320.000     
1:GLN_23:HE21      1:TRP_27:HZ3        1.800  5.500  32.00  32.00  320.000      
1:CYS_24:HN       1:GLN_25:HN         1.800  3.080  32.00  32.00  320.000       
1:CYS_24:HN       1:ASP_26:HN         1.800  5.500  32.00  32.00  320.000       
1:CYS_24:HA       1:CYS_24:HB2       1.800  2.750  32.00  32.00  320.000        
1:CYS_24:HA       1:TRP_27:HB2        1.800  5.500  32.00  32.00  320.000       
1:CYS_24:HA       1:GLU_28:HN         1.800  3.850  32.00  32.00  320.000       
1:CYS_24:HA       1:GLU_28:HB1        1.800  3.080  32.00  32.00  320.000       
1:CYS_24:HA       1:GLU_28:HB2        1.800  3.520  32.00  32.00  320.000       
1:CYS_24:HA       1:ALA_30:HB*         1.800  6.600  32.00  32.00  320.000      
1:CYS_24:HB1      1:GLN_25:HN         1.800  3.300  32.00  32.00  320.000       
1:CYS_24:HB1      1:ALA_30:HB*         1.800  6.600  32.00  32.00  320.000      
1:CYS_24:HB1      1:GLY_33:HA2        1.800  3.190  32.00  32.00  320.000       
1:CYS_24:HB2      1:GLN_25:HN         1.800  5.500  32.00  32.00  320.000       
1:CYS_24:HB2      1:ALA_30:HB*         1.800  5.060  32.00  32.00  320.000      
1:CYS_24:HB2      1:GLY_33:HA1        1.800  5.500  32.00  32.00  320.000       
1:CYS_24:HB2      1:GLY_33:HA2        1.800  5.500  32.00  32.00  320.000       
1:CYS_24:HB2      1:CYS_46:HA        1.800  3.740  32.00  32.00  320.000        
1:CYS_24:HB2      1:TYR_47:HN         1.800  5.500  32.00  32.00  320.000       
1:CYS_24:HB2      1:PHE_48:CZ         1.800  7.700  32.00  32.00  320.000       
1:GLN_25:HN        1:GLN_25:HG*         1.800  4.620  32.00  32.00  320.000     
1:GLN_25:HN        1:ASP_26:HN         1.800  3.080  32.00  32.00  320.000      
1:GLN_25:HN        1:ALA_30:HB*         1.800  6.600  32.00  32.00  320.000     
1:GLN_25:HA        1:HIS_32:HA        1.800  4.510  32.00  32.00  320.000       
1:GLN_25:HB1       1:GLN_25:HE21       1.800  4.290  32.00  32.00  320.000      
1:GLN_25:HB1       1:ASP_26:HN         1.800  5.500  32.00  32.00  320.000      
1:GLN_25:HB1       1:HIS_32:HA        1.800  5.500  32.00  32.00  320.000       
1:GLN_25:HB2       1:GLN_25:HE21       1.800  3.630  32.00  32.00  320.000      
1:GLN_25:HB2       1:ASP_26:HN         1.800  5.500  32.00  32.00  320.000      
1:GLN_25:HB2       1:HIS_32:HA        1.800  5.500  32.00  32.00  320.000       
1:GLN_25:HG*        1:HIS_32:HA        1.800  4.510  32.00  32.00  320.000      
1:ASP_26:HN        1:ASP_26:HB1        1.800  2.750  32.00  32.00  320.000      
1:ASP_26:HN        1:TRP_27:HN         1.800  3.080  32.00  32.00  320.000      
1:ASP_26:HA        1:ASP_26:HB1        1.800  2.970  32.00  32.00  320.000      
1:ASP_26:HA        1:TRP_27:HD1        1.800  4.950  32.00  32.00  320.000      
1:ASP_26:HB1       1:TRP_27:HN         1.800  3.190  32.00  32.00  320.000      
1:ASP_26:HB1       1:TRP_27:HD1        1.800  3.190  32.00  32.00  320.000      
1:ASP_26:HB1       1:TRP_27:HE1        1.800  4.180  32.00  32.00  320.000      
1:ASP_26:HB2       1:TRP_27:HN         1.800  3.300  32.00  32.00  320.000      
1:ASP_26:HB2       1:TRP_27:HE1        1.800  4.950  32.00  32.00  320.000      
1:TRP_27:HN        1:TRP_27:HB2        1.800  3.630  32.00  32.00  320.000      
1:TRP_27:HN        1:GLU_28:HN         1.800  3.080  32.00  32.00  320.000      
1:TRP_27:HA        1:TRP_27:HB2        1.800  2.860  32.00  32.00  320.000      
1:TRP_27:HA        1:TRP_27:HD1        1.800  3.410  32.00  32.00  320.000      
1:TRP_27:HA        1:TRP_27:HE3        1.800  4.620  32.00  32.00  320.000      
1:TRP_27:HB1       1:TRP_27:HE3        1.800  3.630  32.00  32.00  320.000      
1:TRP_27:HB1       1:GLU_28:HG*         1.800  6.380  32.00  32.00  320.000     
1:TRP_27:HB2       1:TRP_27:HE3        1.800  3.630  32.00  32.00  320.000      
1:TRP_27:HB2       1:GLU_28:HG*         1.800  6.380  32.00  32.00  320.000     
1:GLU_28:HN        1:GLU_28:HG*         1.800  6.380  32.00  32.00  320.000     
1:GLU_28:HN        1:LYS_29:HN        1.800  5.500  32.00  32.00  320.000       
1:GLU_28:HG*        1:LYS_29:HN        1.800  6.380  32.00  32.00  320.000      
1:GLU_28:HG*        1:PHE_48:CG         1.800  7.810  32.00  32.00  320.000     
1:LYS_29:HN       1:LYS_29:HA        1.800  2.640  32.00  32.00  320.000        
1:LYS_29:HN       1:LYS_29:HB1       1.800  3.740  32.00  32.00  320.000        
1:LYS_29:HN       1:LYS_29:HB2       1.800  3.850  32.00  32.00  320.000        
1:LYS_29:HN       1:LYS_29:HG1       1.800  5.500  32.00  32.00  320.000        
1:LYS_29:HN       1:LYS_29:HG2       1.800  5.500  32.00  32.00  320.000        
1:LYS_29:HN       1:LYS_29:HD*        1.800  5.280  32.00  32.00  320.000       
1:LYS_29:HN       1:ALA_30:HN         1.800  3.080  32.00  32.00  320.000       
1:LYS_29:HN       1:ALA_30:HB*         1.800  6.600  32.00  32.00  320.000      
1:LYS_29:HA       1:LYS_29:HB2       1.800  2.750  32.00  32.00  320.000        
1:LYS_29:HA       1:LYS_29:HD*        1.800  6.600  32.00  32.00  320.000       
1:LYS_29:HA       1:LYS_29:HE*        1.800  6.600  32.00  32.00  320.000       
1:LYS_29:HA       1:ALA_30:HN         1.800  2.860  32.00  32.00  320.000       
1:LYS_29:HA       1:PHE_48:CZ         1.800  7.260  32.00  32.00  320.000       
1:LYS_29:HB1      1:LYS_29:HE*        1.800  6.600  32.00  32.00  320.000       
1:LYS_29:HB1      1:ALA_30:HN         1.800  5.500  32.00  32.00  320.000       
1:LYS_29:HB1      1:PHE_48:CZ         1.800  7.700  32.00  32.00  320.000       
1:LYS_29:HB2      1:LYS_29:HE*        1.800  6.600  32.00  32.00  320.000       
1:LYS_29:HB2      1:ALA_30:HN         1.800  5.500  32.00  32.00  320.000       
1:LYS_29:HB2      1:PHE_48:CZ         1.800  7.700  32.00  32.00  320.000       
1:LYS_29:HG1      1:LYS_29:HZ*        1.800  6.600  32.00  32.00  320.000       
1:LYS_29:HG2      1:LYS_29:HZ*        1.800  6.600  32.00  32.00  320.000       
1:ALA_30:HA        1:SER_31:HN         1.800  2.750  32.00  32.00  320.000      
1:ALA_30:HA        1:PHE_48:HA         1.800  5.390  32.00  32.00  320.000      
1:ALA_30:HA        1:PHE_48:HB2        1.800  4.950  32.00  32.00  320.000      
1:ALA_30:HA        1:PHE_48:CG         1.800  5.500  32.00  32.00  320.000      
1:ALA_30:HA        1:PHE_48:CZ         1.800  5.940  32.00  32.00  320.000      
1:ALA_30:HB*        1:HIS_32:HA        1.800  6.600  32.00  32.00  320.000      
1:ALA_30:HB*        1:CYS_46:HA        1.800  6.600  32.00  32.00  320.000      
1:ALA_30:HB*        1:CYS_46:HB1       1.800  6.600  32.00  32.00  320.000      
1:ALA_30:HB*        1:CYS_46:HB2       1.800  4.070  32.00  32.00  320.000      
1:ALA_30:HB*        1:TYR_47:HN         1.800  6.160  32.00  32.00  320.000     
1:ALA_30:HB*        1:TYR_47:HA         1.800  6.600  32.00  32.00  320.000     
1:ALA_30:HB*        1:TYR_47:CG         1.800  8.800  32.00  32.00  320.000     
1:ALA_30:HB*        1:PHE_48:HA         1.800  6.600  32.00  32.00  320.000     
1:ALA_30:HB*        1:PHE_48:CG         1.800  8.800  32.00  32.00  320.000     
1:ALA_30:HB*        1:PHE_48:CZ         1.800  8.800  32.00  32.00  320.000     
1:SER_31:HN        1:SER_31:HB1        1.800  3.300  32.00  32.00  320.000      
1:SER_31:HN        1:SER_31:HB2        1.800  3.300  32.00  32.00  320.000      
1:SER_31:HN        1:SER_31:HB*         1.800  3.010  32.00  32.00  320.000     
1:SER_31:HN        1:HIS_32:HN        1.800  2.860  32.00  32.00  320.000       
1:SER_31:HA        1:SER_31:HB1        1.800  2.970  32.00  32.00  320.000      
1:SER_31:HA        1:SER_31:HB2        1.800  2.970  32.00  32.00  320.000      
1:SER_31:HA        1:SER_31:HB*         1.800  2.720  32.00  32.00  320.000     
1:SER_31:HA        1:HIS_32:HD2       1.800  5.500  32.00  32.00  320.000       
1:SER_31:HB1       1:HIS_32:HN        1.800  3.850  32.00  32.00  320.000       
1:SER_31:HB1       1:HIS_32:HD2       1.800  3.960  32.00  32.00  320.000       
1:SER_31:HB2       1:HIS_32:HN        1.800  3.850  32.00  32.00  320.000       
1:SER_31:HB2       1:HIS_32:HD2       1.800  3.960  32.00  32.00  320.000       
1:SER_31:HB*        1:HIS_32:HN        1.800  3.580  32.00  32.00  320.000      
1:SER_31:HB*        1:CYS_50:HN        1.800  4.730  32.00  32.00  320.000      
1:SER_31:HB*        1:CYS_50:HB1       1.800  6.380  32.00  32.00  320.000      
1:SER_31:HB*        1:CYS_50:HB2       1.800  4.730  32.00  32.00  320.000      
1:HIS_32:HN       1:TYR_47:HN         1.800  3.520  32.00  32.00  320.000       
1:HIS_32:HA       1:HIS_32:HB2       1.800  2.970  32.00  32.00  320.000        
1:HIS_32:HA       1:HIS_32:HB1       1.800  2.970  32.00  32.00  320.000        
1:HIS_32:HA       1:HIS_32:HD2       1.800  4.730  32.00  32.00  320.000        
1:HIS_32:HA       1:TYR_47:CG         1.800  7.700  32.00  32.00  320.000       
1:HIS_32:HB2      1:HIS_32:HD2       1.800  3.630  32.00  32.00  320.000        
1:HIS_32:HB1      1:HIS_32:HD2       1.800  3.630  32.00  32.00  320.000        
1:HIS_32:HB*       1:GLY_33:HN         1.800  3.850  32.00  32.00  320.000      
1:HIS_32:HB*       1:TYR_47:CG         1.800  7.810  32.00  32.00  320.000      
1:HIS_32:HD2      1:GLY_33:HN         1.800  5.500  32.00  32.00  320.000       
1:HIS_32:HD2      1:GLY_33:HA1        1.800  5.500  32.00  32.00  320.000       
1:HIS_32:HD2      1:ALA_34:HB*         1.800  6.600  32.00  32.00  320.000      
1:HIS_32:HD2      1:CYS_46:HA        1.800  5.500  32.00  32.00  320.000        
1:HIS_32:HD2      1:TYR_47:HB1        1.800  4.400  32.00  32.00  320.000       
1:HIS_32:HD2      1:TYR_47:HB2        1.800  4.400  32.00  32.00  320.000       
1:HIS_32:HD2      1:TYR_47:HB*         1.800  4.260  32.00  32.00  320.000      
1:HIS_32:HD2      1:CYS_50:HB1       1.800  5.390  32.00  32.00  320.000        
1:HIS_32:HE1      1:TYR_47:HB1        1.800  5.500  32.00  32.00  320.000       
1:HIS_32:HE1      1:TYR_47:HB2        1.800  5.500  32.00  32.00  320.000       
1:HIS_32:HE1      1:TYR_47:HB*         1.800  5.160  32.00  32.00  320.000      
1:HIS_32:HE1      1:TYR_47:CG         1.800  7.700  32.00  32.00  320.000       
1:GLY_33:HN        1:ALA_34:HN         1.800  5.500  32.00  32.00  320.000      
1:GLY_33:HN        1:TYR_47:CG         1.800  7.700  32.00  32.00  320.000      
1:GLY_33:HA1       1:ALA_34:HN         1.800  2.750  32.00  32.00  320.000      
1:GLY_33:HA1       1:ALA_34:HB*         1.800  6.600  32.00  32.00  320.000     
1:GLY_33:HA1       1:CYS_46:HA        1.800  2.970  32.00  32.00  320.000       
1:GLY_33:HA1       1:TYR_47:HN         1.800  3.740  32.00  32.00  320.000      
1:GLY_33:HA1       1:TYR_47:CG         1.800  5.500  32.00  32.00  320.000      
1:GLY_33:HA1       1:TYR_47:CZ         1.800  6.050  32.00  32.00  320.000      
1:GLY_33:HA2       1:ALA_34:HN         1.800  2.970  32.00  32.00  320.000      
1:GLY_33:HA2       1:CYS_46:HA        1.800  3.410  32.00  32.00  320.000       
1:GLY_33:HA2       1:TYR_47:CG         1.800  6.050  32.00  32.00  320.000      
1:GLY_33:HA2       1:TYR_47:CZ         1.800  6.820  32.00  32.00  320.000      
1:ALA_34:HN        1:CYS_35:HN        1.800  5.500  32.00  32.00  320.000       
1:ALA_34:HN        1:PHE_45:HN         1.800  3.630  32.00  32.00  320.000      
1:ALA_34:HN        1:PHE_45:HB1        1.800  5.500  32.00  32.00  320.000      
1:ALA_34:HN        1:CYS_46:HA        1.800  4.290  32.00  32.00  320.000       
1:ALA_34:HN        1:TYR_47:CG         1.800  6.160  32.00  32.00  320.000      
1:ALA_34:HN        1:TYR_47:CZ         1.800  5.610  32.00  32.00  320.000      
1:ALA_34:HA        1:CYS_35:HN        1.800  2.750  32.00  32.00  320.000       
1:ALA_34:HA        1:CYS_35:HB*        1.800  6.380  32.00  32.00  320.000      
1:ALA_34:HB*        1:CYS_35:HN        1.800  4.400  32.00  32.00  320.000      
1:ALA_34:HB*        1:CYS_35:HA        1.800  6.600  32.00  32.00  320.000      
1:ALA_34:HB*        1:HIS_36:HD2       1.800  6.600  32.00  32.00  320.000      
1:ALA_34:HB*        1:HIS_36:HE1       1.800  6.600  32.00  32.00  320.000      
1:ALA_34:HB*        1:PHE_45:CG         1.800  8.800  32.00  32.00  320.000     
1:ALA_34:HB*        1:TYR_47:CG         1.800  8.800  32.00  32.00  320.000     
1:ALA_34:HB*        1:TYR_47:CZ         1.800  8.800  32.00  32.00  320.000     
1:ALA_34:O         1:PHE_45:N          1.800  3.000  32.00  32.00  320.000      
1:ALA_34:O         1:PHE_45:HN         1.800  2.000  32.00  32.00  320.000      
1:CYS_35:HN       1:CYS_35:HB1       1.800  3.410  32.00  32.00  320.000        
1:CYS_35:HN       1:CYS_35:HB2       1.800  3.410  32.00  32.00  320.000        
1:CYS_35:HN       1:CYS_35:HB*        1.800  3.080  32.00  32.00  320.000       
1:CYS_35:HN       1:HIS_36:HN        1.800  5.500  32.00  32.00  320.000        
1:CYS_35:HA       1:HIS_36:HN        1.800  2.640  32.00  32.00  320.000        
1:CYS_35:HA       1:CYS_44:HA        1.800  5.500  32.00  32.00  320.000        
1:CYS_35:HA       1:CYS_44:HB1       1.800  3.960  32.00  32.00  320.000        
1:CYS_35:HA       1:PHE_45:HN         1.800  4.070  32.00  32.00  320.000       
1:CYS_35:HA       1:PHE_45:CG         1.800  7.260  32.00  32.00  320.000       
1:CYS_35:HB1      1:TRP_42:HZ3        1.800  3.960  32.00  32.00  320.000       
1:CYS_35:HB2      1:TRP_42:HZ3        1.800  3.960  32.00  32.00  320.000       
1:CYS_35:HB*       1:HIS_36:HN        1.800  5.060  32.00  32.00  320.000       
1:CYS_35:HB*       1:TRP_42:HE3        1.800  4.290  32.00  32.00  320.000      
1:CYS_35:HB*       1:TRP_42:HZ3        1.800  3.750  32.00  32.00  320.000      
1:HIS_36:HN       1:HIS_36:HB2       1.800  3.410  32.00  32.00  320.000        
1:HIS_36:HN       1:HIS_36:HD2       1.800  5.500  32.00  32.00  320.000        
1:HIS_36:HN       1:LYS_37:HN        1.800  5.500  32.00  32.00  320.000        
1:HIS_36:HN       1:TRP_42:HE3        1.800  4.180  32.00  32.00  320.000       
1:HIS_36:HN       1:TRP_42:HZ3        1.800  5.500  32.00  32.00  320.000       
1:HIS_36:HN       1:LYS_43:HN        1.800  3.960  32.00  32.00  320.000        
1:HIS_36:HN       1:PHE_45:CG         1.800  5.830  32.00  32.00  320.000       
1:HIS_36:HA       1:HIS_36:HB1       1.800  2.860  32.00  32.00  320.000        
1:HIS_36:HA       1:HIS_36:HD2       1.800  4.730  32.00  32.00  320.000        
1:HIS_36:HA       1:LYS_37:HN        1.800  2.860  32.00  32.00  320.000        
1:HIS_36:HA       1:TRP_42:HE3        1.800  3.850  32.00  32.00  320.000       
1:HIS_36:HA       1:TRP_42:HZ3        1.800  3.080  32.00  32.00  320.000       
1:HIS_36:HA       1:TRP_42:HH2        1.800  4.180  32.00  32.00  320.000       
1:HIS_36:HB2      1:HIS_36:HD2       1.800  3.300  32.00  32.00  320.000        
1:HIS_36:HB2      1:LYS_37:HN        1.800  3.630  32.00  32.00  320.000        
1:HIS_36:HB2      1:PHE_45:CG         1.800  5.830  32.00  32.00  320.000       
1:HIS_36:HB1      1:LYS_37:HN        1.800  3.300  32.00  32.00  320.000        
1:HIS_36:HD2      1:LYS_43:HG1       1.800  5.500  32.00  32.00  320.000        
1:HIS_36:HD2      1:PHE_45:HN         1.800  5.500  32.00  32.00  320.000       
1:HIS_36:HD2      1:PHE_45:HA         1.800  5.500  32.00  32.00  320.000       
1:HIS_36:HD2      1:PHE_45:HB2        1.800  3.740  32.00  32.00  320.000       
1:HIS_36:HD2      1:PHE_45:CG         1.800  5.940  32.00  32.00  320.000       
1:HIS_36:HE1      1:TYR_47:CZ         1.800  7.700  32.00  32.00  320.000       
1:HIS_36:O        1:LYS_43:N         1.800  3.000  32.00  32.00  320.000        
1:HIS_36:O        1:LYS_43:HN        1.800  2.000  32.00  32.00  320.000        
1:LYS_37:HN       1:LYS_37:HB1       1.800  2.970  32.00  32.00  320.000        
1:LYS_37:HN       1:LYS_37:HB2       1.800  2.970  32.00  32.00  320.000        
1:LYS_37:HN       1:LYS_37:HG1       1.800  5.500  32.00  32.00  320.000        
1:LYS_37:HN       1:TRP_42:HE3        1.800  4.290  32.00  32.00  320.000       
1:LYS_37:HN       1:TRP_42:HZ3        1.800  3.740  32.00  32.00  320.000       
1:LYS_37:HN       1:TRP_42:HH2        1.800  4.290  32.00  32.00  320.000       
1:LYS_37:HA       1:LYS_37:HB2       1.800  2.970  32.00  32.00  320.000        
1:LYS_37:HA       1:LYS_37:HG1       1.800  3.190  32.00  32.00  320.000        
1:LYS_37:HA       1:LYS_37:HG2       1.800  2.970  32.00  32.00  320.000        
1:LYS_37:HA       1:LYS_37:HD*        1.800  6.600  32.00  32.00  320.000       
1:LYS_37:HA       1:ARG_38:HN        1.800  2.640  32.00  32.00  320.000        
1:LYS_37:HA       1:TRP_42:HA         1.800  2.640  32.00  32.00  320.000       
1:LYS_37:HA       1:TRP_42:HD1        1.800  4.730  32.00  32.00  320.000       
1:LYS_37:HA       1:TRP_42:HZ3        1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HA       1:LYS_43:HN        1.800  3.850  32.00  32.00  320.000        
1:LYS_37:HB1      1:LYS_37:HG1       1.800  2.970  32.00  32.00  320.000        
1:LYS_37:HB1      1:LYS_37:HE2       1.800  5.500  32.00  32.00  320.000        
1:LYS_37:HB1      1:ARG_38:HN        1.800  4.180  32.00  32.00  320.000        
1:LYS_37:HB1      1:TRP_42:HE3        1.800  4.620  32.00  32.00  320.000       
1:LYS_37:HB1      1:TRP_42:HZ3        1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HB1      1:TRP_42:HZ2        1.800  4.070  32.00  32.00  320.000       
1:LYS_37:HB1      1:TRP_42:HH2        1.800  4.950  32.00  32.00  320.000       
1:LYS_37:HB2      1:LYS_37:HE2       1.800  5.500  32.00  32.00  320.000        
1:LYS_37:HB2      1:ARG_38:HN        1.800  4.290  32.00  32.00  320.000        
1:LYS_37:HB2      1:TRP_42:HA         1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HB2      1:TRP_42:HD1        1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HB2      1:TRP_42:HE3        1.800  5.280  32.00  32.00  320.000       
1:LYS_37:HB2      1:TRP_42:HE1        1.800  4.400  32.00  32.00  320.000       
1:LYS_37:HB2      1:TRP_42:HZ2        1.800  4.070  32.00  32.00  320.000       
1:LYS_37:HB2      1:TRP_42:HH2        1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HG1      1:LYS_37:HE1       1.800  3.740  32.00  32.00  320.000        
1:LYS_37:HG1      1:LYS_37:HE2       1.800  3.960  32.00  32.00  320.000        
1:LYS_37:HG1      1:ARG_38:HN        1.800  3.410  32.00  32.00  320.000        
1:LYS_37:HG1      1:ARG_38:HB*        1.800  5.280  32.00  32.00  320.000       
1:LYS_37:HG1      1:ASN_40:HN         1.800  3.740  32.00  32.00  320.000       
1:LYS_37:HG1      1:ASN_40:HA         1.800  3.520  32.00  32.00  320.000       
1:LYS_37:HG1      1:HIS_41:HN        1.800  3.740  32.00  32.00  320.000        
1:LYS_37:HG1      1:TRP_42:HD1        1.800  4.730  32.00  32.00  320.000       
1:LYS_37:HG1      1:TRP_42:HZ2        1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HG2      1:LYS_37:HE1       1.800  3.960  32.00  32.00  320.000        
1:LYS_37:HG2      1:LYS_37:HE2       1.800  3.850  32.00  32.00  320.000        
1:LYS_37:HG2      1:ARG_38:HN        1.800  3.630  32.00  32.00  320.000        
1:LYS_37:HG2      1:ASN_40:HN         1.800  4.950  32.00  32.00  320.000       
1:LYS_37:HG2      1:ASN_40:HA         1.800  3.630  32.00  32.00  320.000       
1:LYS_37:HG2      1:HIS_41:HN        1.800  3.740  32.00  32.00  320.000        
1:LYS_37:HG2      1:TRP_42:HN         1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HG2      1:TRP_42:HA         1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HG2      1:TRP_42:HD1        1.800  4.510  32.00  32.00  320.000       
1:LYS_37:HG2      1:TRP_42:HE1        1.800  4.620  32.00  32.00  320.000       
1:LYS_37:HD*       1:ARG_38:HN        1.800  6.600  32.00  32.00  320.000       
1:LYS_37:HD*       1:ASN_40:HN         1.800  6.050  32.00  32.00  320.000      
1:LYS_37:HD*       1:ASN_40:HA         1.800  4.950  32.00  32.00  320.000      
1:LYS_37:HD*       1:TRP_42:HD1        1.800  6.050  32.00  32.00  320.000      
1:LYS_37:HD*       1:TRP_42:HE1        1.800  4.730  32.00  32.00  320.000      
1:LYS_37:HD*       1:TRP_42:HZ2        1.800  4.950  32.00  32.00  320.000      
1:LYS_37:HD*       1:TRP_42:HH2        1.800  6.600  32.00  32.00  320.000      
1:LYS_37:HE1      1:ASN_40:HA         1.800  3.520  32.00  32.00  320.000       
1:LYS_37:HE1      1:TRP_42:HD1        1.800  4.510  32.00  32.00  320.000       
1:LYS_37:HE1      1:TRP_42:HE1        1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HE1      1:TRP_42:HZ2        1.800  4.400  32.00  32.00  320.000       
1:LYS_37:HE2      1:ASN_40:HA         1.800  5.500  32.00  32.00  320.000       
1:LYS_37:HE2      1:TRP_42:HD1        1.800  4.290  32.00  32.00  320.000       
1:LYS_37:HE2      1:TRP_42:HE1        1.800  3.960  32.00  32.00  320.000       
1:LYS_37:HE2      1:TRP_42:HZ2        1.800  4.180  32.00  32.00  320.000       
1:ARG_38:N        1:HIS_41:O         1.800  3.000  32.00  32.00  320.000        
1:ARG_38:HN       1:ARG_38:HB*        1.800  3.580  32.00  32.00  320.000       
1:ARG_38:HN       1:ARG_38:HG*        1.800  4.510  32.00  32.00  320.000       
1:ARG_38:HN       1:ARG_38:HD*        1.800  6.380  32.00  32.00  320.000       
1:ARG_38:HN       1:GLU_39:HN         1.800  5.500  32.00  32.00  320.000       
1:ARG_38:HN       1:HIS_41:HN        1.800  3.410  32.00  32.00  320.000        
1:ARG_38:HN       1:HIS_41:O         1.800  2.000  32.00  32.00  320.000        
1:ARG_38:HA       1:ARG_38:HG*        1.800  3.680  32.00  32.00  320.000       
1:ARG_38:HA       1:ARG_38:HD*        1.800  3.740  32.00  32.00  320.000       
1:ARG_38:HA       1:GLU_39:HN         1.800  2.750  32.00  32.00  320.000       
1:ARG_38:HA       1:GLU_39:HA         1.800  5.500  32.00  32.00  320.000       
1:ARG_38:HB*       1:ARG_38:HE        1.800  5.060  32.00  32.00  320.000       
1:ARG_38:HG*       1:PHE_45:CZ         1.800  6.820  32.00  32.00  320.000      
1:ARG_38:HG*       1:PHE_45:HZ         1.800  6.380  32.00  32.00  320.000      
1:ARG_38:HD*       1:GLU_39:HN         1.800  5.610  32.00  32.00  320.000      
1:ARG_38:HD*       1:PHE_45:CZ         1.800  8.580  32.00  32.00  320.000      
1:GLU_39:HN        1:GLU_39:HA         1.800  2.640  32.00  32.00  320.000      
1:GLU_39:HN        1:GLU_39:HG1        1.800  5.500  32.00  32.00  320.000      
1:GLU_39:HN        1:GLU_39:HG2        1.800  5.500  32.00  32.00  320.000      
1:GLU_39:HN        1:ASN_40:HN         1.800  3.080  32.00  32.00  320.000      
1:GLU_39:HN        1:ASN_40:HA         1.800  5.500  32.00  32.00  320.000      
1:GLU_39:HA        1:ASN_40:HN         1.800  2.860  32.00  32.00  320.000      
1:GLU_39:HA        1:ASN_40:HB*         1.800  5.390  32.00  32.00  320.000     
1:GLU_39:HA        1:HIS_41:HN        1.800  4.510  32.00  32.00  320.000       
1:GLU_39:HB*        1:ASN_40:HN         1.800  4.290  32.00  32.00  320.000     
1:GLU_39:HB*        1:HIS_41:HD2       1.800  5.390  32.00  32.00  320.000      
1:GLU_39:HB*        1:LYS_43:HE*        1.800  7.480  32.00  32.00  320.000     
1:GLU_39:HG*        1:ASN_40:HN         1.800  6.380  32.00  32.00  320.000     
1:ASN_40:HN        1:ASN_40:HA         1.800  2.640  32.00  32.00  320.000      
1:ASN_40:HN        1:ASN_40:HB1        1.800  3.520  32.00  32.00  320.000      
1:ASN_40:HN        1:ASN_40:HB2        1.800  3.520  32.00  32.00  320.000      
1:ASN_40:HN        1:ASN_40:HB*         1.800  3.300  32.00  32.00  320.000     
1:ASN_40:HN        1:HIS_41:HN        1.800  3.080  32.00  32.00  320.000       
1:ASN_40:HA        1:ASN_40:HD21       1.800  5.500  32.00  32.00  320.000      
1:ASN_40:HA        1:HIS_41:HN        1.800  3.520  32.00  32.00  320.000       
1:ASN_40:HA        1:HIS_41:HA        1.800  5.500  32.00  32.00  320.000       
1:ASN_40:HB1       1:HIS_41:HD2       1.800  5.500  32.00  32.00  320.000       
1:ASN_40:HB2       1:HIS_41:HD2       1.800  5.500  32.00  32.00  320.000       
1:ASN_40:HB*        1:HIS_41:HA        1.800  5.280  32.00  32.00  320.000      
1:ASN_40:HB*        1:HIS_41:HD2       1.800  5.050  32.00  32.00  320.000      
1:ASN_40:HB*        1:HIS_41:HE1       1.800  5.830  32.00  32.00  320.000      
1:HIS_41:HN       1:HIS_41:HB2       1.800  3.630  32.00  32.00  320.000        
1:HIS_41:HN       1:HIS_41:HB1       1.800  3.630  32.00  32.00  320.000        
1:HIS_41:HN       1:HIS_41:HB*        1.800  3.200  32.00  32.00  320.000       
1:HIS_41:HN       1:HIS_41:HD2       1.800  5.500  32.00  32.00  320.000        
1:HIS_41:HA       1:HIS_41:HB2       1.800  2.970  32.00  32.00  320.000        
1:HIS_41:HA       1:HIS_41:HB1       1.800  2.970  32.00  32.00  320.000        
1:HIS_41:HA       1:HIS_41:HD2       1.800  4.400  32.00  32.00  320.000        
1:HIS_41:HA       1:TRP_42:HN         1.800  3.520  32.00  32.00  320.000       
1:HIS_41:HA       1:TRP_42:HD1        1.800  4.400  32.00  32.00  320.000       
1:HIS_41:HB*       1:TRP_42:HN         1.800  4.950  32.00  32.00  320.000      
1:HIS_41:HB*       1:LYS_43:HG1       1.800  4.620  32.00  32.00  320.000       
1:HIS_41:HB*       1:LYS_43:HG2       1.800  4.400  32.00  32.00  320.000       
1:TRP_42:HN        1:TRP_42:HB1        1.800  2.860  32.00  32.00  320.000      
1:TRP_42:HN        1:TRP_42:HD1        1.800  3.300  32.00  32.00  320.000      
1:TRP_42:HA        1:TRP_42:HD1        1.800  4.620  32.00  32.00  320.000      
1:TRP_42:HA        1:TRP_42:HE3        1.800  3.630  32.00  32.00  320.000      
1:TRP_42:HB1       1:TRP_42:HD1        1.800  3.190  32.00  32.00  320.000      
1:TRP_42:HB2       1:TRP_42:HD1        1.800  3.740  32.00  32.00  320.000      
1:TRP_42:HB2       1:TRP_42:HE3        1.800  3.960  32.00  32.00  320.000      
1:TRP_42:HB2       1:LYS_43:HN        1.800  5.500  32.00  32.00  320.000       
1:TRP_42:HE3       1:LYS_43:HN        1.800  4.400  32.00  32.00  320.000       
1:LYS_43:HN       1:LYS_43:HG1       1.800  3.630  32.00  32.00  320.000        
1:LYS_43:HN       1:LYS_43:HG2       1.800  3.520  32.00  32.00  320.000        
1:LYS_43:HN       1:LYS_43:HD*        1.800  5.060  32.00  32.00  320.000       
1:LYS_43:HA       1:LYS_43:HG1       1.800  3.410  32.00  32.00  320.000        
1:LYS_43:HA       1:LYS_43:HD*        1.800  4.730  32.00  32.00  320.000       
1:LYS_43:HA       1:CYS_44:HN        1.800  3.520  32.00  32.00  320.000        
1:LYS_43:HA       1:CYS_44:HB1       1.800  5.500  32.00  32.00  320.000        
1:LYS_43:HB*       1:CYS_44:HN        1.800  4.730  32.00  32.00  320.000       
1:LYS_43:HB*       1:PHE_45:CZ         1.800  7.700  32.00  32.00  320.000      
1:LYS_43:HB*       1:PHE_45:HZ         1.800  6.600  32.00  32.00  320.000      
1:LYS_43:HG1      1:CYS_44:HN        1.800  5.500  32.00  32.00  320.000        
1:LYS_43:HG2      1:CYS_44:HN        1.800  5.500  32.00  32.00  320.000        
1:LYS_43:HG2      1:PHE_45:CG         1.800  7.700  32.00  32.00  320.000       
1:LYS_43:HG2      1:PHE_45:CZ         1.800  7.480  32.00  32.00  320.000       
1:LYS_43:HG2      1:PHE_45:HZ         1.800  4.400  32.00  32.00  320.000       
1:LYS_43:HD*       1:CYS_44:HN        1.800  6.600  32.00  32.00  320.000       
1:LYS_43:HE*       1:PHE_45:CZ         1.800  8.580  32.00  32.00  320.000      
1:CYS_44:HN       1:CYS_44:HB2       1.800  2.970  32.00  32.00  320.000        
1:PHE_45:HN        1:PHE_45:HB2        1.800  3.520  32.00  32.00  320.000      
1:PHE_45:HN        1:PHE_45:CZ         1.800  6.600  32.00  32.00  320.000      
1:PHE_45:HN        1:TYR_47:CZ         1.800  7.700  32.00  32.00  320.000      
1:PHE_45:HA        1:CYS_46:HN        1.800  2.860  32.00  32.00  320.000       
1:PHE_45:HA        1:TYR_47:CZ         1.800  7.700  32.00  32.00  320.000      
1:PHE_45:HB1       1:CYS_46:HN        1.800  4.070  32.00  32.00  320.000       
1:PHE_45:HB1       1:TYR_47:CZ         1.800  7.700  32.00  32.00  320.000      
1:PHE_45:HB2       1:CYS_46:HN        1.800  3.300  32.00  32.00  320.000       
1:PHE_45:CG        1:CYS_46:HN        1.800  6.600  32.00  32.00  320.000       
1:PHE_45:CG        1:TYR_47:CZ         1.800  9.900  32.00  32.00  320.000      
1:PHE_45:CZ        1:TYR_47:CZ         1.800  9.900  32.00  32.00  320.000      
1:CYS_46:HN       1:CYS_46:HB1       1.800  3.080  32.00  32.00  320.000        
1:CYS_46:HN       1:CYS_46:HB2       1.800  3.630  32.00  32.00  320.000        
1:CYS_46:HN       1:TYR_47:CG         1.800  6.930  32.00  32.00  320.000       
1:CYS_46:HN       1:TYR_47:CZ         1.800  6.930  32.00  32.00  320.000       
1:CYS_46:HN       1:PHE_48:CZ         1.800  7.700  32.00  32.00  320.000       
1:CYS_46:HA       1:TYR_47:HN         1.800  2.750  32.00  32.00  320.000       
1:CYS_46:HA       1:TYR_47:CG         1.800  5.940  32.00  32.00  320.000       
1:CYS_46:HA       1:TYR_47:CZ         1.800  6.930  32.00  32.00  320.000       
1:CYS_46:HA       1:PHE_48:CZ         1.800  7.700  32.00  32.00  320.000       
1:CYS_46:HB1      1:TYR_47:HN         1.800  3.740  32.00  32.00  320.000       
1:CYS_46:HB1      1:PHE_48:CZ         1.800  5.280  32.00  32.00  320.000       
1:CYS_46:HB2      1:TYR_47:HN         1.800  3.410  32.00  32.00  320.000       
1:CYS_46:HB2      1:PHE_48:CZ         1.800  5.610  32.00  32.00  320.000       
1:TYR_47:HN        1:TYR_47:HB*         1.800  3.710  32.00  32.00  320.000     
1:TYR_47:HA        1:TYR_47:CZ         1.800  5.610  32.00  32.00  320.000      
1:TYR_47:HA        1:PHE_48:HN         1.800  2.970  32.00  32.00  320.000      
1:TYR_47:HA        1:PHE_48:CG         1.800  6.160  32.00  32.00  320.000      
1:TYR_47:HA        1:PHE_48:CZ         1.800  6.820  32.00  32.00  320.000      
1:TYR_47:CG        1:PHE_48:HN         1.800  6.820  32.00  32.00  320.000      
1:PHE_48:HN        1:PHE_48:HB1        1.800  2.750  32.00  32.00  320.000      
1:PHE_48:HN        1:PHE_48:HB2        1.800  3.300  32.00  32.00  320.000      
1:PHE_48:HN        1:PHE_48:CZ         1.800  6.600  32.00  32.00  320.000      
1:PHE_48:HA        1:PHE_48:CZ         1.800  6.160  32.00  32.00  320.000      
1:PHE_48:HB1       1:ASN_49:HN         1.800  3.520  32.00  32.00  320.000      
1:PHE_48:HB2       1:ASN_49:HN         1.800  3.300  32.00  32.00  320.000      
1:PHE_48:HB2       1:ASN_49:HD21       1.800  5.500  32.00  32.00  320.000      
1:PHE_48:HB2       1:ASN_49:HD22       1.800  4.290  32.00  32.00  320.000      
1:PHE_48:CG        1:ASN_49:HN         1.800  6.600  32.00  32.00  320.000      
1:ASN_49:HN        1:CYS_50:HN        1.800  3.190  32.00  32.00  320.000       
1:ASN_49:HA        1:ASN_49:HD21       1.800  4.510  32.00  32.00  320.000      
1:ASN_49:HA        1:CYS_50:HN        1.800  3.080  32.00  32.00  320.000       
1:CYS_50:HN       1:CYS_50:HB1       1.800  3.300  32.00  32.00  320.000        
1:CYS_50:HN       1:CYS_50:HB2       1.800  2.970  32.00  32.00  320.000        
1:CYS_50:HA       1:CYS_50:HB1       1.800  2.750  32.00  32.00  320.000        
1:CYS_50:HA       1:CYS_50:HB2       1.800  2.860  32.00  32.00  320.000        
!                                                                               
#mixing_times                                                                   
-9.990000E+02                                                                   
!                                                                               
#NMR_dihedral                                                                   
1:LEU_1:C         1:CYS_2:N          1:CYS_2:CA        1:CYS_2:C          -95.00
1:CYS_2:N         1:CYS_2:CA         1:CYS_2:C         1:ASN_3:N          -105.0
1:CYS_2:N         1:CYS_2:CA         1:CYS_2:CB        1:CYS_2:SG         -35.00
1:CYS_2:C          1:ASN_3:N           1:ASN_3:CA         1:ASN_3:C            4
1:ASN_3:N          1:ASN_3:CA          1:ASN_3:C          1:GLU_4:N            1
1:ASN_3:N          1:ASN_3:CA          1:ASN_3:CB         1:ASN_3:CG          -4
1:ASN_3:C          1:GLU_4:N           1:GLU_4:CA         1:GLU_4:C            4
1:GLU_4:N          1:GLU_4:CA          1:GLU_4:C          1:ARG_5:N            4
1:GLU_4:C         1:ARG_5:N          1:ARG_5:CA        1:ARG_5:C           45.00
1:ARG_5:N         1:ARG_5:CA         1:ARG_5:C         1:PRO_6:N          -105.0
1:ARG_5:N         1:ARG_5:CA         1:ARG_5:CB        1:ARG_5:CG           5.00
1:PRO_6:C          1:SER_7:N           1:SER_7:CA         1:SER_7:C           -9
1:SER_7:N          1:SER_7:CA          1:SER_7:C          1:GLN_8:N           10
1:SER_7:N          1:SER_7:CA          1:SER_7:CB         1:SER_7:OG            
1:SER_7:C          1:GLN_8:N           1:GLN_8:CA         1:GLN_8:C           -1
1:GLN_8:N          1:GLN_8:CA          1:GLN_8:C          1:THR_9:N           -1
1:GLN_8:N          1:GLN_8:CA          1:GLN_8:CB         1:GLN_8:CG          -2
1:GLN_8:C          1:THR_9:N           1:THR_9:CA         1:THR_9:C            3
1:THR_9:N          1:THR_9:CA          1:THR_9:C          1:TRP_10:N          -9
1:THR_9:N          1:THR_9:CA          1:THR_9:CB         1:THR_9:OG1           
1:THR_9:C          1:TRP_10:N          1:TRP_10:CA        1:TRP_10:C          -1
1:TRP_10:N         1:TRP_10:CA         1:TRP_10:C         1:SER_11:N          -1
1:TRP_10:N         1:TRP_10:CA         1:TRP_10:CB        1:TRP_10:CG         16
1:TRP_10:C         1:SER_11:N          1:SER_11:CA        1:SER_11:C           3
1:SER_11:N         1:SER_11:CA         1:SER_11:C         1:GLY_12:N           -
1:GLY_12:C         1:ASN_13:N          1:ASN_13:CA        1:ASN_13:C          -1
1:ASN_13:N         1:ASN_13:CA         1:ASN_13:C         1:CYS_14:N          13
1:ASN_13:N         1:ASN_13:CA         1:ASN_13:CB        1:ASN_13:CG         12
1:ASN_13:C        1:CYS_14:N         1:CYS_14:CA       1:CYS_14:C         -165.0
1:CYS_14:N        1:CYS_14:CA        1:CYS_14:C        1:GLY_15:N         -105.0
1:CYS_14:N        1:CYS_14:CA        1:CYS_14:CB       1:CYS_14:SG        105.00
1:GLY_15:C         1:ASN_16:N          1:ASN_16:CA        1:ASN_16:C          -1
1:ASN_16:N         1:ASN_16:CA         1:ASN_16:C         1:THR_17:N          -1
1:ASN_16:N         1:ASN_16:CA         1:ASN_16:CB        1:ASN_16:CG         -1
1:ASN_16:C         1:THR_17:N          1:THR_17:CA        1:THR_17:C          -8
1:THR_17:N         1:THR_17:CA         1:THR_17:C         1:ALA_18:N          -1
1:THR_17:N         1:THR_17:CA         1:THR_17:CB        1:THR_17:OG1         1
1:ALA_18:C        1:HIS_19:N         1:HIS_19:CA       1:HIS_19:C         -90.00
1:HIS_19:N        1:HIS_19:CA        1:HIS_19:C        1:CYS_20:N         -100.0
1:HIS_19:N        1:HIS_19:CA        1:HIS_19:CB       1:HIS_19:CG         80.00
1:HIS_19:C        1:CYS_20:N         1:CYS_20:CA       1:CYS_20:C         -80.00
1:CYS_20:N        1:CYS_20:CA        1:CYS_20:C        1:ASP_21:N          85.00
1:CYS_20:N        1:CYS_20:CA        1:CYS_20:CB       1:CYS_20:SG         85.00
1:CYS_20:C         1:ASP_21:N          1:ASP_21:CA        1:ASP_21:C           8
1:ASP_21:N         1:ASP_21:CA         1:ASP_21:C         1:LYS_22:N          -1
1:ASP_21:N         1:ASP_21:CA         1:ASP_21:CB        1:ASP_21:CG           
1:ASP_21:C        1:LYS_22:N         1:LYS_22:CA       1:LYS_22:C          35.00
1:LYS_22:N        1:LYS_22:CA        1:LYS_22:C        1:GLN_23:N         -95.00
1:LYS_22:C         1:GLN_23:N          1:GLN_23:CA        1:GLN_23:C          15
1:GLN_23:N         1:GLN_23:CA         1:GLN_23:C         1:CYS_24:N           3
1:GLN_23:N         1:GLN_23:CA         1:GLN_23:CB        1:GLN_23:CG         -4
1:GLN_23:C        1:CYS_24:N         1:CYS_24:CA       1:CYS_24:C          85.00
1:CYS_24:N        1:CYS_24:CA        1:CYS_24:C        1:GLN_25:N         -105.0
1:CYS_24:N        1:CYS_24:CA        1:CYS_24:CB       1:CYS_24:SG         45.00
1:CYS_24:C         1:GLN_25:N          1:GLN_25:CA        1:GLN_25:C           4
1:GLN_25:N         1:GLN_25:CA         1:GLN_25:C         1:ASP_26:N          -1
1:GLN_25:C         1:ASP_26:N          1:ASP_26:CA        1:ASP_26:C          -8
1:ASP_26:N         1:ASP_26:CA         1:ASP_26:C         1:TRP_27:N          -1
1:ASP_26:N         1:ASP_26:CA         1:ASP_26:CB        1:ASP_26:CG         -7
1:ASP_26:C         1:TRP_27:N          1:TRP_27:CA        1:TRP_27:C           3
1:TRP_27:N         1:TRP_27:CA         1:TRP_27:C         1:GLU_28:N          -1
1:TRP_27:N         1:TRP_27:CA         1:TRP_27:CB        1:TRP_27:CG          -
1:TRP_27:C         1:GLU_28:N          1:GLU_28:CA        1:GLU_28:C           4
1:GLU_28:N         1:GLU_28:CA         1:GLU_28:C         1:LYS_29:N          -1
1:GLU_28:C        1:LYS_29:N         1:LYS_29:CA       1:LYS_29:C         135.00
1:LYS_29:N        1:LYS_29:CA        1:LYS_29:C        1:ALA_30:N          10.00
1:LYS_29:N        1:LYS_29:CA        1:LYS_29:CB       1:LYS_29:CG        -125.0
1:ALA_30:C         1:SER_31:N          1:SER_31:CA        1:SER_31:C          -8
1:SER_31:N         1:SER_31:CA         1:SER_31:C         1:HIS_32:N          -9
1:SER_31:C         1:HIS_32:N          1:HIS_32:CA        1:HIS_32:C           3
1:HIS_32:N         1:HIS_32:CA         1:HIS_32:C         1:GLY_33:N          13
1:ALA_34:C        1:CYS_35:N         1:CYS_35:CA       1:CYS_35:C         -165.0
1:CYS_35:N        1:CYS_35:CA        1:CYS_35:C        1:HIS_36:N          90.00
1:CYS_35:N        1:CYS_35:CA        1:CYS_35:CB       1:CYS_35:SG        -195.0
1:CYS_35:C        1:HIS_36:N         1:HIS_36:CA       1:HIS_36:C          35.00
1:HIS_36:N        1:HIS_36:CA        1:HIS_36:C        1:LYS_37:N         120.00
1:HIS_36:N        1:HIS_36:CA        1:HIS_36:CB       1:HIS_36:CG        -195.0
1:HIS_36:C        1:LYS_37:N         1:LYS_37:CA       1:LYS_37:C         -145.0
1:LYS_37:N        1:LYS_37:CA        1:LYS_37:C        1:ARG_38:N         110.00
1:LYS_37:N        1:LYS_37:CA        1:LYS_37:CB       1:LYS_37:CG        130.00
1:LYS_37:C        1:ARG_38:N         1:ARG_38:CA       1:ARG_38:C         -155.0
1:ARG_38:N        1:ARG_38:CA        1:ARG_38:C        1:GLU_39:N         105.00
1:ARG_38:N        1:ARG_38:CA        1:ARG_38:CB       1:ARG_38:CG         45.00
1:ARG_38:C         1:GLU_39:N          1:GLU_39:CA        1:GLU_39:C           3
1:GLU_39:N         1:GLU_39:CA         1:GLU_39:C         1:ASN_40:N           1
1:ASN_40:N         1:ASN_40:CA         1:ASN_40:C         1:HIS_41:N          -8
1:ASN_40:C         1:HIS_41:N          1:HIS_41:CA        1:HIS_41:C          -1
1:HIS_41:N         1:HIS_41:CA         1:HIS_41:C         1:TRP_42:N          -2
1:HIS_41:N         1:HIS_41:CA         1:HIS_41:CB        1:HIS_41:CG         13
1:HIS_41:C         1:TRP_42:N          1:TRP_42:CA        1:TRP_42:C          -7
1:TRP_42:N         1:TRP_42:CA         1:TRP_42:C         1:LYS_43:N           8
1:TRP_42:N         1:TRP_42:CA         1:TRP_42:CB        1:TRP_42:CG          5
1:TRP_42:C        1:LYS_43:N         1:LYS_43:CA       1:LYS_43:C         -150.0
1:LYS_43:N        1:LYS_43:CA        1:LYS_43:C        1:CYS_44:N         -45.00
1:LYS_43:C        1:CYS_44:N         1:CYS_44:CA       1:CYS_44:C         -175.0
1:CYS_44:N        1:CYS_44:CA        1:CYS_44:C        1:PHE_45:N         -105.0
1:CYS_44:N        1:CYS_44:CA        1:CYS_44:CB       1:CYS_44:SG         65.00
1:CYS_44:C         1:PHE_45:N          1:PHE_45:CA        1:PHE_45:C          -1
1:PHE_45:N         1:PHE_45:CA         1:PHE_45:C         1:CYS_46:N          11
1:PHE_45:C        1:CYS_46:N         1:CYS_46:CA       1:CYS_46:C         -165.0
1:CYS_46:N        1:CYS_46:CA        1:CYS_46:C        1:TYR_47:N         110.00
1:CYS_46:N        1:CYS_46:CA        1:CYS_46:CB       1:CYS_46:SG        -205.0
1:CYS_46:C         1:TYR_47:N          1:TYR_47:CA        1:TYR_47:C           3
1:TYR_47:N         1:TYR_47:CA         1:TYR_47:C         1:PHE_48:N          10
1:TYR_47:C         1:PHE_48:N          1:PHE_48:CA        1:PHE_48:C          -1
1:PHE_48:N         1:PHE_48:CA         1:PHE_48:C         1:ASN_49:N          -1
1:PHE_48:C         1:ASN_49:N          1:ASN_49:CA        1:ASN_49:C           3
1:ASN_49:N         1:ASN_49:CA         1:ASN_49:C         1:CYS_50:N           1

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    LEU   1          3H        LEU   1 -11.640  -3.982  -3.982
    2   2H    LEU   1          1H        LEU   1 -11.709  -4.498  -4.498
    3   3H    LEU   1          2H        LEU   1 -10.629  -3.289  -3.289
    4    HA   LEU   1           HA       LEU   1  -9.495  -5.328  -5.328
    5   1HB   LEU   1          1HB       LEU   1 -11.676  -6.603  -6.603
    6   2HB   LEU   1          2HB       LEU   1 -10.874  -6.563  -6.563
    7    HG   LEU   1           HG       LEU   1  -9.873  -7.792  -7.792
    8   1HD1  LEU   1          1HD1      LEU   1 -11.622  -9.051  -9.051
    9   2HD1  LEU   1          2HD1      LEU   1 -10.612  -9.034  -9.034
   10   3HD1  LEU   1          3HD1      LEU   1 -10.070  -9.908  -9.908
   11   1HD2  LEU   1          1HD2      LEU   1  -8.414  -7.606  -7.606
   12   2HD2  LEU   1          2HD2      LEU   1  -7.868  -6.976  -6.976
   13   3HD2  LEU   1          3HD2      LEU   1  -7.976  -8.713  -8.713
   14    H    CYS   2           H        CYS   2  -7.529  -4.635  -4.635
   15    HA   CYS   2           HA       CYS   2  -7.454  -2.946  -2.946
   16   1HB   CYS   2          1HB       CYS   2  -5.063  -3.870  -3.870
   17   2HB   CYS   2          2HB       CYS   2  -5.331  -2.330  -2.330
   18    H    ASN   3           H        ASN   3  -8.177  -4.452  -4.452
   19    HA   ASN   3           HA       ASN   3  -6.620  -6.781  -6.781
   20   1HB   ASN   3          1HB       ASN   3  -8.408  -5.442  -5.442
   21   2HB   ASN   3          2HB       ASN   3  -7.857  -7.114  -7.114
   22   1HD2  ASN   3          2HD2      ASN   3 -10.586  -6.497  -6.497
   23   2HD2  ASN   3          1HD2      ASN   3 -11.387  -6.997  -6.997
   24    H    GLU   4           H        GLU   4  -4.566  -6.669  -6.669
   25    HA   GLU   4           HA       GLU   4  -3.257  -4.585  -4.585
   26   1HB   GLU   4          1HB       GLU   4  -2.331  -6.062  -6.062
   27   2HB   GLU   4          2HB       GLU   4  -2.486  -7.470  -7.470
   28   1HG   GLU   4          1HG       GLU   4  -1.146  -5.359  -5.359
   29   2HG   GLU   4          2HG       GLU   4  -0.370  -5.521  -5.521
   30    H    ARG   5           H        ARG   5  -4.162  -4.315  -4.315
   31    HA   ARG   5           HA       ARG   5  -4.428  -6.602  -6.602
   32   1HB   ARG   5          1HB       ARG   5  -6.354  -5.089  -5.089
   33   2HB   ARG   5          2HB       ARG   5  -5.414  -3.759  -3.759
   34   1HG   ARG   5          1HG       ARG   5  -5.338  -5.125  -5.125
   35   2HG   ARG   5          2HG       ARG   5  -6.478  -6.271  -6.271
   36   1HD   ARG   5          1HD       ARG   5  -6.875  -3.304  -3.304
   37   2HD   ARG   5          2HD       ARG   5  -7.517  -4.597  -4.597
   38   1HH1  ARG   5          1HH1      ARG   5  -8.714  -2.449  -2.449
   39   2HH1  ARG   5          2HH1      ARG   5 -10.180  -1.815  -1.815
   40   1HH2  ARG   5          1HH2      ARG   5 -10.464  -4.326  -4.326
   41   2HH2  ARG   5          2HH2      ARG   5 -11.188  -2.903  -2.903
   42    HA   PRO   6           HA       PRO   6  -0.636  -5.174  -5.174
   43   1HB   PRO   6          1HB       PRO   6  -0.765  -6.297  -6.297
   44   2HB   PRO   6          2HB       PRO   6  -0.477  -7.217  -7.217
   45   1HG   PRO   6          1HG       PRO   6  -3.105  -6.802  -6.802
   46   2HG   PRO   6          2HG       PRO   6  -2.414  -8.341  -8.341
   47   1HD   PRO   6          1HD       PRO   6  -4.269  -6.989  -6.989
   48   2HD   PRO   6          2HD       PRO   6  -2.906  -7.741  -7.741
   49    H    SER   7           H        SER   7   0.285  -4.107  -4.107
   50    HA   SER   7           HA       SER   7  -0.661  -1.498  -1.498
   51   1HB   SER   7          1HB       SER   7   0.898  -1.541  -1.541
   52   2HB   SER   7          2HB       SER   7   1.596  -1.896  -1.896
   53    HG   SER   7           HG       SER   7   0.724  -3.840  -3.840
   54    H    GLN   8           H        GLN   8  -2.686  -1.136  -1.136
   55    HA   GLN   8           HA       GLN   8  -3.674  -2.208  -2.208
   56   1HB   GLN   8          1HB       GLN   8  -4.743  -0.146  -0.146
   57   2HB   GLN   8          2HB       GLN   8  -5.488  -0.532  -0.532
   58   1HG   GLN   8          1HG       GLN   8  -5.703  -2.928  -2.928
   59   2HG   GLN   8          2HG       GLN   8  -5.091  -2.425  -2.425
   60   1HE2  GLN   8          2HE2      GLN   8  -7.529  -1.160  -1.160
   61   2HE2  GLN   8          1HE2      GLN   8  -8.752  -0.814  -0.814
   62    H    THR   9           H        THR   9  -2.998   1.031   1.031
   63    HA   THR   9           HA       THR   9  -3.000   2.464   2.464
   64    HB   THR   9           HB       THR   9  -2.070   4.189   4.189
   65    HG1  THR   9           HG1      THR   9  -2.363   3.419   3.419
   66   1HG2  THR   9          3HG2      THR   9  -4.433   4.119   4.119
   67   2HG2  THR   9          1HG2      THR   9  -4.782   2.882   2.882
   68   3HG2  THR   9          2HG2      THR   9  -4.275   4.510   4.510
   69    H    TRP  10           H        TRP  10  -0.676   1.688   1.688
   70    HA   TRP  10           HA       TRP  10   1.604   2.791   2.791
   71   1HB   TRP  10          1HB       TRP  10   1.141   2.139   2.139
   72   2HB   TRP  10          2HB       TRP  10   1.644   0.512   0.512
   73    HD1  TRP  10           HD1      TRP  10   4.240   0.307   0.307
   74    HE1  TRP  10           HE1      TRP  10   6.346   1.776   1.776
   75    HE3  TRP  10           HE3      TRP  10   1.975   4.268   4.268
   76    HZ2  TRP  10           HZ2      TRP  10   6.894   4.374   4.374
   77    HZ3  TRP  10           HZ3      TRP  10   3.280   6.291   6.291
   78    HH2  TRP  10           HH2      TRP  10   5.671   6.375   6.375
   79    H    SER  11           H        SER  11   3.408   1.754   1.754
   80    HA   SER  11           HA       SER  11   2.589  -0.455  -0.455
   81   1HB   SER  11          1HB       SER  11   4.386   0.313   0.313
   82   2HB   SER  11          2HB       SER  11   3.386   1.676   1.676
   83    HG   SER  11           HG       SER  11   5.546   2.237   2.237
   84    H    GLY  12           H        GLY  12   5.800  -0.494  -0.494
   85   1HA   GLY  12          1HA       GLY  12   6.053  -3.210  -3.210
   86   2HA   GLY  12          2HA       GLY  12   7.314  -2.162  -2.162
   87    H    ASN  13           H        ASN  13   8.433  -0.980  -0.980
   88    HA   ASN  13           HA       ASN  13   8.570  -2.084  -2.084
   89   1HB   ASN  13          1HB       ASN  13  10.507  -2.019  -2.019
   90   2HB   ASN  13          2HB       ASN  13  10.662  -0.299  -0.299
   91   1HD2  ASN  13          2HD2      ASN  13  11.546   0.249   0.249
   92   2HD2  ASN  13          1HD2      ASN  13  12.013  -0.954  -0.954
   93    H    CYS  14           H        CYS  14   8.817  -0.853  -0.853
   94    HA   CYS  14           HA       CYS  14   7.702   1.910   1.910
   95   1HB   CYS  14          1HB       CYS  14   6.229  -0.006  -0.006
   96   2HB   CYS  14          2HB       CYS  14   7.347  -0.372  -0.372
   97    H    GLY  15           H        GLY  15   8.432   3.232   3.232
   98   1HA   GLY  15          1HA       GLY  15  10.643   2.413   2.413
   99   2HA   GLY  15          2HA       GLY  15  11.130   3.545   3.545
  100    H    ASN  16           H        ASN  16   9.104   5.220   5.220
  101    HA   ASN  16           HA       ASN  16   9.058   6.795   6.795
  102   1HB   ASN  16          1HB       ASN  16   9.135   7.721   7.721
  103   2HB   ASN  16          2HB       ASN  16   7.438   7.259   7.259
  104   1HD2  ASN  16          2HD2      ASN  16   8.573   9.970   9.970
  105   2HD2  ASN  16          1HD2      ASN  16   7.821  10.828  10.828
  106    H    THR  17           H        THR  17   8.180   5.002   5.002
  107    HA   THR  17           HA       THR  17   5.587   4.048   4.048
  108    HB   THR  17           HB       THR  17   7.344   3.073   3.073
  109    HG1  THR  17           HG1      THR  17   4.828   3.448   3.448
  110   1HG2  THR  17          2HG2      THR  17   8.015   5.083   5.083
  111   2HG2  THR  17          3HG2      THR  17   6.438   5.068   5.068
  112   3HG2  THR  17          1HG2      THR  17   7.565   3.718   3.718
  113    H    ALA  18           H        ALA  18   6.646   7.126   7.126
  114    HA   ALA  18           HA       ALA  18   4.177   7.884   7.884
  115   1HB   ALA  18          1HB       ALA  18   6.281   9.121   9.121
  116   2HB   ALA  18          2HB       ALA  18   6.292   9.621   9.621
  117   3HB   ALA  18          3HB       ALA  18   5.003  10.183  10.183
  118    H    HIS  19           H        HIS  19   5.419   8.227   8.227
  119    HA   HIS  19           HA       HIS  19   3.003   9.436   9.436
  120   1HB   HIS  19          1HB       HIS  19   5.159   9.366   9.366
  121   2HB   HIS  19          2HB       HIS  19   4.822   7.684   7.684
  122    HD1  HIS  19           HD1      HIS  19   4.837   8.695   8.695
  123    HD2  HIS  19           HD2      HIS  19   1.610   9.800   9.800
  124    HE1  HIS  19           HE1      HIS  19   2.977   9.602   9.602
  125    H    CYS  20           H        CYS  20   4.150   6.021   6.021
  126    HA   CYS  20           HA       CYS  20   2.014   4.691   4.691
  127   1HB   CYS  20          1HB       CYS  20   3.957   3.443   3.443
  128   2HB   CYS  20          2HB       CYS  20   3.546   3.921   3.921
  129    H    ASP  21           H        ASP  21   2.289   5.701   5.701
  130    HA   ASP  21           HA       ASP  21  -0.102   4.584   4.584
  131   1HB   ASP  21          1HB       ASP  21   1.731   5.358   5.358
  132   2HB   ASP  21          2HB       ASP  21   1.490   7.030   7.030
  133    H    LYS  22           H        LYS  22   0.463   7.643   7.643
  134    HA   LYS  22           HA       LYS  22  -2.281   8.541   8.541
  135   1HB   LYS  22          1HB       LYS  22  -0.280   9.835   9.835
  136   2HB   LYS  22          2HB       LYS  22  -1.847  10.450  10.450
  137   1HG   LYS  22          1HG       LYS  22  -0.662   9.700   9.700
  138   2HG   LYS  22          2HG       LYS  22   0.671  10.029  10.029
  139   1HD   LYS  22          1HD       LYS  22   0.316  12.171  12.171
  140   2HD   LYS  22          2HD       LYS  22  -0.727  12.323  12.323
  141   1HE   LYS  22          1HE       LYS  22  -1.478  11.627  11.627
  142   2HE   LYS  22          2HE       LYS  22  -1.980  13.057  13.057
  143   1HZ   LYS  22          1HZ       LYS  22  -2.907  10.273  10.273
  144   2HZ   LYS  22          2HZ       LYS  22  -3.807  11.676  11.676
  145    H    GLN  23           H        GLN  23  -0.284   7.054   7.054
  146    HA   GLN  23           HA       GLN  23  -2.154   7.322   7.322
  147   1HB   GLN  23          1HB       GLN  23   0.076   7.611   7.611
  148   2HB   GLN  23          2HB       GLN  23   0.570   6.130   6.130
  149   1HG   GLN  23          1HG       GLN  23  -0.025   4.722   4.722
  150   2HG   GLN  23          2HG       GLN  23  -1.262   5.846   5.846
  151   1HE2  GLN  23          2HE2      GLN  23   0.119   4.753   4.753
  152   2HE2  GLN  23          1HE2      GLN  23   1.091   6.046   6.046
  153    H    CYS  24           H        CYS  24  -3.527   6.217   6.217
  154    HA   CYS  24           HA       CYS  24  -4.430   3.554   3.554
  155   1HB   CYS  24          1HB       CYS  24  -2.774   4.067   4.067
  156   2HB   CYS  24          2HB       CYS  24  -4.040   2.840   2.840
  157    H    GLN  25           H        GLN  25  -4.125   6.006   6.006
  158    HA   GLN  25           HA       GLN  25  -6.830   5.883   5.883
  159   1HB   GLN  25          1HB       GLN  25  -4.864   6.506   6.506
  160   2HB   GLN  25          2HB       GLN  25  -4.563   7.903   7.903
  161   1HG   GLN  25          1HG       GLN  25  -6.692   8.925   8.925
  162   2HG   GLN  25          2HG       GLN  25  -6.987   7.520   7.520
  163   1HE2  GLN  25          2HE2      GLN  25  -5.426   7.070   7.070
  164   2HE2  GLN  25          1HE2      GLN  25  -4.485   8.389   8.389
  165    H    ASP  26           H        ASP  26  -5.026   8.156   8.156
  166    HA   ASP  26           HA       ASP  26  -7.401   9.879   9.879
  167   1HB   ASP  26          1HB       ASP  26  -4.551  10.047  10.047
  168   2HB   ASP  26          2HB       ASP  26  -5.809  11.169  11.169
  169    H    TRP  27           H        TRP  27  -5.305   7.934   7.934
  170    HA   TRP  27           HA       TRP  27  -6.690   8.542   8.542
  171   1HB   TRP  27          1HB       TRP  27  -4.688   6.390   6.390
  172   2HB   TRP  27          2HB       TRP  27  -5.320   6.582   6.582
  173    HD1  TRP  27           HD1      TRP  27  -4.148   9.616   9.616
  174    HE1  TRP  27           HE1      TRP  27  -2.030  10.562  10.562
  175    HE3  TRP  27           HE3      TRP  27  -3.544   6.167   6.167
  176    HZ2  TRP  27           HZ2      TRP  27  -0.207   9.820   9.820
  177    HZ3  TRP  27           HZ3      TRP  27  -1.584   6.260   6.260
  178    HH2  TRP  27           HH2      TRP  27   0.099   8.025   8.025
  179    H    GLU  28           H        GLU  28  -6.252   5.418   5.418
  180    HA   GLU  28           HA       GLU  28  -8.814   4.324   4.324
  181   1HB   GLU  28          1HB       GLU  28  -6.298   3.263   3.263
  182   2HB   GLU  28          2HB       GLU  28  -7.395   2.789   2.789
  183   1HG   GLU  28          1HG       GLU  28  -7.769   2.310   2.310
  184   2HG   GLU  28          2HG       GLU  28  -7.175   1.129   1.129
  185    H    LYS  29           H        LYS  29  -9.127   3.209   3.209
  186    HA   LYS  29           HA       LYS  29  -9.787   5.560   5.560
  187   1HB   LYS  29          1HB       LYS  29 -11.899   3.636   3.636
  188   2HB   LYS  29          2HB       LYS  29 -12.238   4.870   4.870
  189   1HG   LYS  29          1HG       LYS  29 -11.466   5.380   5.380
  190   2HG   LYS  29          2HG       LYS  29 -13.066   5.478   5.478
  191   1HD   LYS  29          1HD       LYS  29 -12.650   7.403   7.403
  192   2HD   LYS  29          2HD       LYS  29 -10.898   7.287   7.287
  193   1HE   LYS  29          1HE       LYS  29 -12.619   7.641   7.641
  194   2HE   LYS  29          2HE       LYS  29 -12.127   9.026   9.026
  195   1HZ   LYS  29          1HZ       LYS  29 -10.291   7.140   7.140
  196   2HZ   LYS  29          2HZ       LYS  29 -10.608   8.729   8.729
  197    H    ALA  30           H        ALA  30  -7.955   3.942   3.942
  198    HA   ALA  30           HA       ALA  30  -8.858   1.775   1.775
  199   1HB   ALA  30          1HB       ALA  30  -6.803   1.669   1.669
  200   2HB   ALA  30          2HB       ALA  30  -6.068   2.898   2.898
  201   3HB   ALA  30          3HB       ALA  30  -6.489   1.306   1.306
  202    H    SER  31           H        SER  31  -7.750   1.835   1.835
  203    HA   SER  31           HA       SER  31  -8.328   4.290   4.290
  204   1HB   SER  31          1HB       SER  31  -6.802   1.808   1.808
  205   2HB   SER  31          2HB       SER  31  -7.495   3.035   3.035
  206    HG   SER  31           HG       SER  31  -9.569   2.430   2.430
  207    H    HIS  32           H        HIS  32  -5.423   2.455   2.455
  208    HA   HIS  32           HA       HIS  32  -4.005   4.855   4.855
  209   1HB   HIS  32          1HB       HIS  32  -2.395   4.993   4.993
  210   2HB   HIS  32          2HB       HIS  32  -3.773   4.657   4.657
  211    HD1  HIS  32           HD1      HIS  32  -0.316   3.790   3.790
  212    HD2  HIS  32           HD2      HIS  32  -3.876   1.630   1.630
  213    HE1  HIS  32           HE1      HIS  32   0.275   1.430   1.430
  214    H    GLY  33           H        GLY  33  -1.371   3.848   3.848
  215   1HA   GLY  33          1HA       GLY  33  -1.358   1.227   1.227
  216   2HA   GLY  33          2HA       GLY  33  -0.800   2.489   2.489
  217    H    ALA  34           H        ALA  34   0.972   0.551   0.551
  218    HA   ALA  34           HA       ALA  34   3.130   1.974   1.974
  219   1HB   ALA  34          1HB       ALA  34   1.985  -0.499  -0.499
  220   2HB   ALA  34          2HB       ALA  34   3.585   0.191   0.191
  221   3HB   ALA  34          3HB       ALA  34   2.114   1.123   1.123
  222    H    CYS  35           H        CYS  35   5.181   1.189   1.189
  223    HA   CYS  35           HA       CYS  35   5.109  -0.552  -0.552
  224   1HB   CYS  35          1HB       CYS  35   7.382   0.562   0.562
  225   2HB   CYS  35          2HB       CYS  35   7.576  -0.382  -0.382
  226    H    HIS  36           H        HIS  36   5.707  -2.835  -2.835
  227    HA   HIS  36           HA       HIS  36   7.276  -3.920  -3.920
  228   1HB   HIS  36          1HB       HIS  36   5.082  -5.611  -5.611
  229   2HB   HIS  36          2HB       HIS  36   6.011  -5.815  -5.815
  230    HD1  HIS  36           HD1      HIS  36   5.353  -2.998  -2.998
  231    HD2  HIS  36           HD2      HIS  36   2.737  -5.438  -5.438
  232    HE1  HIS  36           HE1      HIS  36   3.029  -2.642  -2.642
  233    H    LYS  37           H        LYS  37   8.668  -5.631  -5.631
  234    HA   LYS  37           HA       LYS  37   8.958  -6.099  -6.099
  235   1HB   LYS  37          1HB       LYS  37  10.848  -5.856  -5.856
  236   2HB   LYS  37          2HB       LYS  37  10.439  -7.368  -7.368
  237   1HG   LYS  37          1HG       LYS  37  10.546  -8.238  -8.238
  238   2HG   LYS  37          2HG       LYS  37  11.348  -6.740  -6.740
  239   1HD   LYS  37          1HD       LYS  37  12.442  -8.397  -8.397
  240   2HD   LYS  37          2HD       LYS  37  12.624  -9.055  -9.055
  241   1HE   LYS  37          1HE       LYS  37  13.591  -6.648  -6.648
  242   2HE   LYS  37          2HE       LYS  37  13.819  -6.536  -6.536
  243   1HZ   LYS  37          1HZ       LYS  37  14.755  -8.995  -8.995
  244   2HZ   LYS  37          2HZ       LYS  37  15.477  -7.667  -7.667
  245    H    ARG  38           H        ARG  38   8.105  -7.691  -7.691
  246    HA   ARG  38           HA       ARG  38   7.421 -10.301 -10.301
  247   1HB   ARG  38          1HB       ARG  38   5.680  -8.703  -8.703
  248   2HB   ARG  38          2HB       ARG  38   5.353 -10.354 -10.354
  249   1HG   ARG  38          1HG       ARG  38   5.392  -7.870  -7.870
  250   2HG   ARG  38          2HG       ARG  38   3.967  -8.611  -8.611
  251   1HD   ARG  38          1HD       ARG  38   4.228 -10.648 -10.648
  252   2HD   ARG  38          2HD       ARG  38   5.749 -10.139 -10.139
  253   1HH1  ARG  38          1HH2      ARG  38   6.469  -8.817  -8.817
  254   2HH1  ARG  38          2HH2      ARG  38   6.215  -8.399  -8.399
  255   1HH2  ARG  38          1HH1      ARG  38   2.669  -8.135  -8.135
  256   2HH2  ARG  38          2HH1      ARG  38   4.007  -7.949  -7.949
  257    H    GLU  39           H        GLU  39   8.216 -11.919 -11.919
  258    HA   GLU  39           HA       GLU  39   9.693 -12.749 -12.749
  259   1HB   GLU  39          1HB       GLU  39   7.535 -11.448 -11.448
  260   2HB   GLU  39          2HB       GLU  39   8.666 -12.701 -12.701
  261   1HG   GLU  39          1HG       GLU  39   6.678 -13.867 -13.867
  262   2HG   GLU  39          2HG       GLU  39   7.781 -14.193 -14.193
  263    H    ASN  40           H        ASN  40  10.814 -10.525 -10.525
  264    HA   ASN  40           HA       ASN  40  12.315  -8.930  -8.930
  265   1HB   ASN  40          1HB       ASN  40  13.249 -10.921 -10.921
  266   2HB   ASN  40          2HB       ASN  40  12.841  -9.939  -9.939
  267   1HD2  ASN  40          2HD2      ASN  40  14.919  -9.204  -9.204
  268   2HD2  ASN  40          1HD2      ASN  40  16.072  -8.399  -8.399
  269    H    HIS  41           H        HIS  41   9.543  -8.356  -8.356
  270    HA   HIS  41           HA       HIS  41  10.329  -5.879  -5.879
  271   1HB   HIS  41          1HB       HIS  41   7.819  -7.547  -7.547
  272   2HB   HIS  41          2HB       HIS  41   8.013  -5.990  -5.990
  273    HD1  HIS  41           HD1      HIS  41  10.320  -5.954  -5.954
  274    HD2  HIS  41           HD2      HIS  41   8.643  -9.666  -9.666
  275    HE1  HIS  41           HE1      HIS  41  11.250  -7.708  -7.708
  276    H    TRP  42           H        TRP  42  10.059  -4.086  -4.086
  277    HA   TRP  42           HA       TRP  42   8.484  -4.281  -4.281
  278   1HB   TRP  42          1HB       TRP  42  10.116  -2.097  -2.097
  279   2HB   TRP  42          2HB       TRP  42   9.071  -1.848  -1.848
  280    HD1  TRP  42           HD1      TRP  42  12.099  -3.944  -3.944
  281    HE1  TRP  42           HE1      TRP  42  13.401  -4.543  -4.543
  282    HE3  TRP  42           HE3      TRP  42   8.745  -2.327  -2.327
  283    HZ2  TRP  42           HZ2      TRP  42  12.904  -4.536  -4.536
  284    HZ3  TRP  42           HZ3      TRP  42   9.200  -2.537  -2.537
  285    HH2  TRP  42           HH2      TRP  42  11.233  -3.712  -3.712
  286    H    LYS  43           H        LYS  43   6.240  -4.438  -4.438
  287    HA   LYS  43           HA       LYS  43   5.053  -2.694  -2.694
  288   1HB   LYS  43          1HB       LYS  43   3.453  -4.522  -4.522
  289   2HB   LYS  43          2HB       LYS  43   3.145  -4.017  -4.017
  290   1HG   LYS  43          1HG       LYS  43   5.202  -5.932  -5.932
  291   2HG   LYS  43          2HG       LYS  43   3.890  -6.406  -6.406
  292   1HD   LYS  43          1HD       LYS  43   6.163  -4.736  -4.736
  293   2HD   LYS  43          2HD       LYS  43   5.851  -6.450  -6.450
  294   1HE   LYS  43          1HE       LYS  43   5.159  -5.419  -5.419
  295   2HE   LYS  43          2HE       LYS  43   3.681  -5.924  -5.924
  296   1HZ   LYS  43          1HZ       LYS  43   4.435  -3.400  -3.400
  297   2HZ   LYS  43          2HZ       LYS  43   2.994  -3.840  -3.840
  298    H    CYS  44           H        CYS  44   3.798  -0.951  -0.951
  299    HA   CYS  44           HA       CYS  44   3.391  -0.121  -0.121
  300   1HB   CYS  44          1HB       CYS  44   3.437   1.568   1.568
  301   2HB   CYS  44          2HB       CYS  44   2.202   0.688   0.688
  302    H    PHE  45           H        PHE  45   2.125  -1.521  -1.521
  303    HA   PHE  45           HA       PHE  45  -0.244  -2.796  -2.796
  304   1HB   PHE  45          1HB       PHE  45   1.182  -3.158  -3.158
  305   2HB   PHE  45          2HB       PHE  45  -0.500  -3.605  -3.605
  306    HD1  PHE  45           HD1      PHE  45   2.784  -4.197  -4.197
  307    HD2  PHE  45           HD2      PHE  45  -1.141  -5.715  -5.715
  308    HE1  PHE  45           HE1      PHE  45   3.405  -6.403  -6.403
  309    HE2  PHE  45           HE2      PHE  45  -0.535  -7.900  -7.900
  310    HZ   PHE  45           HZ       PHE  45   1.714  -8.248  -8.248
  311    H    CYS  46           H        CYS  46  -2.246  -2.197  -2.197
  312    HA   CYS  46           HA       CYS  46  -2.675   0.336   0.336
  313   1HB   CYS  46          1HB       CYS  46  -4.425  -1.186  -1.186
  314   2HB   CYS  46          2HB       CYS  46  -4.866   0.307   0.307
  315    H    TYR  47           H        TYR  47  -4.371   0.318   0.318
  316    HA   TYR  47           HA       TYR  47  -5.026  -2.346  -2.346
  317   1HB   TYR  47          1HB       TYR  47  -3.784   0.173   0.173
  318   2HB   TYR  47          2HB       TYR  47  -4.646  -0.874  -0.874
  319    HD1  TYR  47           HD2      TYR  47  -1.748  -0.674  -0.674
  320    HD2  TYR  47           HD1      TYR  47  -3.671  -2.941  -2.941
  321    HE1  TYR  47           HE2      TYR  47   0.332  -1.937  -1.937
  322    HE2  TYR  47           HE1      TYR  47  -1.559  -4.130  -4.130
  323    HH   TYR  47           HH       TYR  47   0.645  -4.302  -4.302
  324    H    PHE  48           H        PHE  48  -7.314  -2.367  -2.367
  325    HA   PHE  48           HA       PHE  48  -8.732   0.237   0.237
  326   1HB   PHE  48          1HB       PHE  48  -9.353  -2.632  -2.632
  327   2HB   PHE  48          2HB       PHE  48 -10.545  -1.390  -1.390
  328    HD1  PHE  48           HD1      PHE  48  -7.275  -2.254  -2.254
  329    HD2  PHE  48           HD2      PHE  48 -10.896   0.108   0.108
  330    HE1  PHE  48           HE1      PHE  48  -6.610  -1.349  -1.349
  331    HE2  PHE  48           HE2      PHE  48 -10.210   0.998   0.998
  332    HZ   PHE  48           HZ       PHE  48  -8.004   0.343   0.343
  333    H    ASN  49           H        ASN  49 -10.944   0.013   0.013
  334    HA   ASN  49           HA       ASN  49 -12.190  -0.034  -0.034
  335   1HB   ASN  49          1HB       ASN  49 -13.284  -2.331  -2.331
  336   2HB   ASN  49          2HB       ASN  49 -13.299  -1.418  -1.418
  337   1HD2  ASN  49          2HD2      ASN  49 -10.958  -3.791  -3.791
  338   2HD2  ASN  49          1HD2      ASN  49 -10.891  -4.755  -4.755
  339    H    CYS  50           H        CYS  50  -9.760   0.264   0.264
  340    HA   CYS  50           HA       CYS  50  -8.910  -1.974  -1.974
  341   1HB   CYS  50          1HB       CYS  50  -7.328  -0.619  -0.619
  342   2HB   CYS  50          2HB       CYS  50  -7.990   0.831   0.831

  Start of MODEL    2
    1   1H    LEU   1          3H        LEU   1 -12.480  -5.340  -5.340
    2   2H    LEU   1          1H        LEU   1 -12.952  -5.123  -5.123
    3   3H    LEU   1          2H        LEU   1 -12.258  -3.850  -3.850
    4    HA   LEU   1           HA       LEU   1 -10.665  -4.747  -4.747
    5   1HB   LEU   1          1HB       LEU   1 -11.387  -7.328  -7.328
    6   2HB   LEU   1          2HB       LEU   1  -9.803  -7.127  -7.127
    7    HG   LEU   1           HG       LEU   1 -11.342  -8.386  -8.386
    8   1HD1  LEU   1          1HD1      LEU   1  -9.441  -7.141  -7.141
    9   2HD1  LEU   1          2HD1      LEU   1 -10.516  -5.767  -5.767
   10   3HD1  LEU   1          3HD1      LEU   1 -10.800  -7.327  -7.327
   11   1HD2  LEU   1          1HD2      LEU   1 -13.455  -7.155  -7.155
   12   2HD2  LEU   1          2HD2      LEU   1 -13.188  -7.428  -7.428
   13   3HD2  LEU   1          3HD2      LEU   1 -12.898  -5.823  -5.823
   14    H    CYS   2           H        CYS   2  -8.410  -4.712  -4.712
   15    HA   CYS   2           HA       CYS   2  -8.093  -3.158  -3.158
   16   1HB   CYS   2          1HB       CYS   2  -5.807  -4.399  -4.399
   17   2HB   CYS   2          2HB       CYS   2  -5.851  -2.861  -2.861
   18    H    ASN   3           H        ASN   3  -8.882  -4.215  -4.215
   19    HA   ASN   3           HA       ASN   3  -7.901  -6.722  -6.722
   20   1HB   ASN   3          1HB       ASN   3 -10.132  -5.935  -5.935
   21   2HB   ASN   3          2HB       ASN   3  -9.449  -4.441  -4.441
   22   1HD2  ASN   3          2HD2      ASN   3  -9.153  -7.972  -7.972
   23   2HD2  ASN   3          1HD2      ASN   3  -9.075  -7.862  -7.862
   24    H    GLU   4           H        GLU   4  -5.612  -6.387  -6.387
   25    HA   GLU   4           HA       GLU   4  -4.180  -4.413  -4.413
   26   1HB   GLU   4          1HB       GLU   4  -3.250  -5.409  -5.409
   27   2HB   GLU   4          2HB       GLU   4  -3.476  -7.043  -7.043
   28   1HG   GLU   4          1HG       GLU   4  -1.900  -6.705  -6.705
   29   2HG   GLU   4          2HG       GLU   4  -1.660  -4.986  -4.986
   30    H    ARG   5           H        ARG   5  -3.764  -4.502  -4.502
   31    HA   ARG   5           HA       ARG   5  -3.550  -7.113  -7.113
   32   1HB   ARG   5          1HB       ARG   5  -5.046  -6.432  -6.432
   33   2HB   ARG   5          2HB       ARG   5  -5.886  -6.729  -6.729
   34   1HG   ARG   5          1HG       ARG   5  -6.152  -4.361  -4.361
   35   2HG   ARG   5          2HG       ARG   5  -5.062  -3.945  -3.945
   36   1HD   ARG   5          1HD       ARG   5  -6.949  -3.642  -3.642
   37   2HD   ARG   5          2HD       ARG   5  -6.858  -5.369  -5.369
   38   1HH1  ARG   5          1HH2      ARG   5  -8.745  -3.880  -3.880
   39   2HH1  ARG   5          2HH2      ARG   5 -10.427  -3.516  -3.516
   40   1HH2  ARG   5          1HH1      ARG   5 -10.360  -4.684  -4.684
   41   2HH2  ARG   5          2HH1      ARG   5 -11.407  -4.002  -4.002
   42    HA   PRO   6           HA       PRO   6  -0.195  -5.242  -5.242
   43   1HB   PRO   6          1HB       PRO   6  -1.382  -6.355  -6.355
   44   2HB   PRO   6          2HB       PRO   6   0.317  -6.425  -6.425
   45   1HG   PRO   6          1HG       PRO   6  -1.301  -8.577  -8.577
   46   2HG   PRO   6          2HG       PRO   6  -0.225  -8.080  -8.080
   47   1HD   PRO   6          1HD       PRO   6  -3.192  -7.581  -7.581
   48   2HD   PRO   6          2HD       PRO   6  -2.208  -8.043  -8.043
   49    H    SER   7           H        SER   7   0.488  -3.983  -3.983
   50    HA   SER   7           HA       SER   7  -0.624  -1.474  -1.474
   51   1HB   SER   7          1HB       SER   7   0.688  -1.870  -1.870
   52   2HB   SER   7          2HB       SER   7   1.565  -1.717  -1.717
   53    HG   SER   7           HG       SER   7   0.711  -4.146  -4.146
   54    H    GLN   8           H        GLN   8  -2.699  -1.125  -1.125
   55    HA   GLN   8           HA       GLN   8  -3.602  -2.385  -2.385
   56   1HB   GLN   8          1HB       GLN   8  -4.973  -0.501  -0.501
   57   2HB   GLN   8          2HB       GLN   8  -5.614  -1.052  -1.052
   58   1HG   GLN   8          1HG       GLN   8  -5.351  -3.439  -3.439
   59   2HG   GLN   8          2HG       GLN   8  -4.917  -2.793  -2.793
   60   1HE2  GLN   8          2HE2      GLN   8  -7.286  -0.689  -0.689
   61   2HE2  GLN   8          1HE2      GLN   8  -8.698  -1.508  -1.508
   62    H    THR   9           H        THR   9  -3.362   0.951   0.951
   63    HA   THR   9           HA       THR   9  -3.366   2.296   2.296
   64    HB   THR   9           HB       THR   9  -2.487   4.122   4.122
   65    HG1  THR   9           HG1      THR   9  -2.933   3.455   3.455
   66   1HG2  THR   9          3HG2      THR   9  -4.797   4.034   4.034
   67   2HG2  THR   9          1HG2      THR   9  -5.224   2.823   2.823
   68   3HG2  THR   9          2HG2      THR   9  -4.768   4.469   4.469
   69    H    TRP  10           H        TRP  10  -0.961   1.708   1.708
   70    HA   TRP  10           HA       TRP  10   1.236   2.857   2.857
   71   1HB   TRP  10          1HB       TRP  10   0.903   2.705   2.705
   72   2HB   TRP  10          2HB       TRP  10   1.354   1.011   1.011
   73    HD1  TRP  10           HD1      TRP  10   3.943   0.759   0.759
   74    HE1  TRP  10           HE1      TRP  10   6.037   2.267   2.267
   75    HE3  TRP  10           HE3      TRP  10   1.810   4.805   4.805
   76    HZ2  TRP  10           HZ2      TRP  10   6.676   4.838   4.838
   77    HZ3  TRP  10           HZ3      TRP  10   3.146   6.766   6.766
   78    HH2  TRP  10           HH2      TRP  10   5.645   6.772   6.772
   79    H    SER  11           H        SER  11   0.490   1.353   1.353
   80    HA   SER  11           HA       SER  11   1.102  -1.397  -1.397
   81   1HB   SER  11          1HB       SER  11   0.829   0.009   0.009
   82   2HB   SER  11          2HB       SER  11   0.227  -1.586  -1.586
   83    HG   SER  11           HG       SER  11  -1.308  -0.394  -0.394
   84    H    GLY  12           H        GLY  12   3.358  -0.835  -0.835
   85   1HA   GLY  12          1HA       GLY  12   5.336  -1.785  -1.785
   86   2HA   GLY  12          2HA       GLY  12   5.506  -0.040  -0.040
   87    H    ASN  13           H        ASN  13   7.447  -0.209  -0.209
   88    HA   ASN  13           HA       ASN  13   7.489  -1.744  -1.744
   89   1HB   ASN  13          1HB       ASN  13   9.371  -2.040  -2.040
   90   2HB   ASN  13          2HB       ASN  13   9.777  -0.329  -0.329
   91   1HD2  ASN  13          2HD2      ASN  13  10.443   0.418   0.418
   92   2HD2  ASN  13          1HD2      ASN  13  11.228  -0.798  -0.798
   93    H    CYS  14           H        CYS  14   7.949  -0.622  -0.622
   94    HA   CYS  14           HA       CYS  14   6.787   1.876   1.876
   95   1HB   CYS  14          1HB       CYS  14   7.285   0.066   0.066
   96   2HB   CYS  14          2HB       CYS  14   9.005   0.486   0.486
   97    H    GLY  15           H        GLY  15   7.729   3.838   3.838
   98   1HA   GLY  15          1HA       GLY  15  10.524   4.463   4.463
   99   2HA   GLY  15          2HA       GLY  15   9.176   5.558   5.558
  100    H    ASN  16           H        ASN  16   7.697   5.623   5.623
  101    HA   ASN  16           HA       ASN  16   9.294   5.785   5.785
  102   1HB   ASN  16          1HB       ASN  16   9.445   8.052   8.052
  103   2HB   ASN  16          2HB       ASN  16   7.693   8.225   8.225
  104   1HD2  ASN  16          2HD2      ASN  16  10.238   9.564   9.564
  105   2HD2  ASN  16          1HD2      ASN  16   9.846   9.535   9.535
  106    H    THR  17           H        THR  17   8.097   5.030   5.030
  107    HA   THR  17           HA       THR  17   5.532   3.953   3.953
  108    HB   THR  17           HB       THR  17   7.207   2.972   2.972
  109    HG1  THR  17           HG1      THR  17   4.621   3.391   3.391
  110   1HG2  THR  17          3HG2      THR  17   7.818   5.003   5.003
  111   2HG2  THR  17          1HG2      THR  17   6.199   4.997   4.997
  112   3HG2  THR  17          2HG2      THR  17   7.309   3.646   3.646
  113    H    ALA  18           H        ALA  18   6.530   7.069   7.069
  114    HA   ALA  18           HA       ALA  18   3.984   7.856   7.856
  115   1HB   ALA  18          1HB       ALA  18   6.066   9.138   9.138
  116   2HB   ALA  18          2HB       ALA  18   6.134   9.539   9.539
  117   3HB   ALA  18          3HB       ALA  18   4.799  10.143  10.143
  118    H    HIS  19           H        HIS  19   5.451   8.085   8.085
  119    HA   HIS  19           HA       HIS  19   3.156   9.307   9.307
  120   1HB   HIS  19          1HB       HIS  19   5.501   9.327   9.327
  121   2HB   HIS  19          2HB       HIS  19   5.288   7.655   7.655
  122    HD1  HIS  19           HD1      HIS  19   5.993   9.168   9.168
  123    HD2  HIS  19           HD2      HIS  19   2.065   9.420   9.420
  124    HE1  HIS  19           HE1      HIS  19   4.438   9.634   9.634
  125    H    CYS  20           H        CYS  20   4.239   5.879   5.879
  126    HA   CYS  20           HA       CYS  20   2.155   4.575   4.575
  127   1HB   CYS  20          1HB       CYS  20   3.913   3.275   3.275
  128   2HB   CYS  20          2HB       CYS  20   3.451   3.841   3.841
  129    H    ASP  21           H        ASP  21   2.144   5.733   5.733
  130    HA   ASP  21           HA       ASP  21  -0.528   4.934   4.934
  131   1HB   ASP  21          1HB       ASP  21   0.947   5.482   5.482
  132   2HB   ASP  21          2HB       ASP  21   1.288   7.090   7.090
  133    H    LYS  22           H        LYS  22   0.787   8.055   8.055
  134    HA   LYS  22           HA       LYS  22  -1.674   9.434   9.434
  135   1HB   LYS  22          1HB       LYS  22   0.550   9.573   9.573
  136   2HB   LYS  22          2HB       LYS  22  -0.814  10.672  10.672
  137   1HG   LYS  22          1HG       LYS  22  -0.021  11.032  11.032
  138   2HG   LYS  22          2HG       LYS  22   1.396  10.122  10.122
  139   1HD   LYS  22          1HD       LYS  22   1.900  12.507  12.507
  140   2HD   LYS  22          2HD       LYS  22   2.098  11.749  11.749
  141   1HE   LYS  22          1HE       LYS  22   1.032  14.021  14.021
  142   2HE   LYS  22          2HE       LYS  22   0.095  12.758  12.758
  143   1HZ   LYS  22          1HZ       LYS  22  -0.927  14.451  14.451
  144   2HZ   LYS  22          2HZ       LYS  22  -1.541  12.906  12.906
  145    H    GLN  23           H        GLN  23  -0.108   7.215   7.215
  146    HA   GLN  23           HA       GLN  23  -2.485   7.348   7.348
  147   1HB   GLN  23          1HB       GLN  23  -0.289   5.369   5.369
  148   2HB   GLN  23          2HB       GLN  23  -1.541   5.950   5.950
  149   1HG   GLN  23          1HG       GLN  23  -0.539   8.305   8.305
  150   2HG   GLN  23          2HG       GLN  23   0.862   7.451   7.451
  151   1HE2  GLN  23          2HE2      GLN  23   0.010   5.265   5.265
  152   2HE2  GLN  23          1HE2      GLN  23   0.761   5.967   5.967
  153    H    CYS  24           H        CYS  24  -2.929   6.269   6.269
  154    HA   CYS  24           HA       CYS  24  -4.446   3.824   3.824
  155   1HB   CYS  24          1HB       CYS  24  -2.819   4.259   4.259
  156   2HB   CYS  24          2HB       CYS  24  -4.075   3.040   3.040
  157    H    GLN  25           H        GLN  25  -3.960   6.440   6.440
  158    HA   GLN  25           HA       GLN  25  -6.801   6.562   6.562
  159   1HB   GLN  25          1HB       GLN  25  -4.400   8.271   8.271
  160   2HB   GLN  25          2HB       GLN  25  -6.045   8.847   8.847
  161   1HG   GLN  25          1HG       GLN  25  -6.560   6.914   6.914
  162   2HG   GLN  25          2HG       GLN  25  -5.017   6.169   6.169
  163   1HE2  GLN  25          2HE2      GLN  25  -6.397   9.143   9.143
  164   2HE2  GLN  25          1HE2      GLN  25  -5.093   9.315   9.315
  165    H    ASP  26           H        ASP  26  -4.548   8.678   8.678
  166    HA   ASP  26           HA       ASP  26  -6.657  10.631  10.631
  167   1HB   ASP  26          1HB       ASP  26  -3.908  10.387  10.387
  168   2HB   ASP  26          2HB       ASP  26  -5.048  11.684  11.684
  169    H    TRP  27           H        TRP  27  -4.823   8.363   8.363
  170    HA   TRP  27           HA       TRP  27  -6.551   8.654   8.654
  171   1HB   TRP  27          1HB       TRP  27  -4.430   6.584   6.584
  172   2HB   TRP  27          2HB       TRP  27  -5.337   6.625   6.625
  173    HD1  TRP  27           HD1      TRP  27  -3.869   9.822   9.822
  174    HE1  TRP  27           HE1      TRP  27  -2.022  10.693  10.693
  175    HE3  TRP  27           HE3      TRP  27  -3.838   6.042   6.042
  176    HZ2  TRP  27           HZ2      TRP  27  -0.635   9.805   9.805
  177    HZ3  TRP  27           HZ3      TRP  27  -2.179   6.012   6.012
  178    HH2  TRP  27           HH2      TRP  27  -0.578   7.857   7.857
  179    H    GLU  28           H        GLU  28  -5.859   5.587   5.587
  180    HA   GLU  28           HA       GLU  28  -7.770   4.515   4.515
  181   1HB   GLU  28          1HB       GLU  28  -5.772   3.311   3.311
  182   2HB   GLU  28          2HB       GLU  28  -6.418   3.263   3.263
  183   1HG   GLU  28          1HG       GLU  28  -6.677   1.136   1.136
  184   2HG   GLU  28          2HG       GLU  28  -8.248   1.803   1.803
  185    H    LYS  29           H        LYS  29  -7.934   4.618   4.618
  186    HA   LYS  29           HA       LYS  29  -9.686   5.689   5.689
  187   1HB   LYS  29          1HB       LYS  29 -11.512   3.844   3.844
  188   2HB   LYS  29          2HB       LYS  29 -11.907   4.715   4.715
  189   1HG   LYS  29          1HG       LYS  29 -11.011   6.175   6.175
  190   2HG   LYS  29          2HG       LYS  29 -12.677   5.834   5.834
  191   1HD   LYS  29          1HD       LYS  29 -12.847   7.503   7.503
  192   2HD   LYS  29          2HD       LYS  29 -11.390   7.070   7.070
  193   1HE   LYS  29          1HE       LYS  29 -11.526   8.701   8.701
  194   2HE   LYS  29          2HE       LYS  29 -11.250   9.341   9.341
  195   1HZ   LYS  29          1HZ       LYS  29  -9.442   7.303   7.303
  196   2HZ   LYS  29          2HZ       LYS  29  -9.276   8.909   8.909
  197    H    ALA  30           H        ALA  30  -7.824   4.385   4.385
  198    HA   ALA  30           HA       ALA  30  -8.974   2.083   2.083
  199   1HB   ALA  30          1HB       ALA  30  -6.204   2.519   2.519
  200   2HB   ALA  30          2HB       ALA  30  -6.592   1.206   1.206
  201   3HB   ALA  30          3HB       ALA  30  -7.372   1.276   1.276
  202    H    SER  31           H        SER  31  -7.983   1.843   1.843
  203    HA   SER  31           HA       SER  31  -8.202   4.285   4.285
  204   1HB   SER  31          1HB       SER  31  -7.087   1.583   1.583
  205   2HB   SER  31          2HB       SER  31  -7.495   2.887   2.887
  206    HG   SER  31           HG       SER  31  -9.382   1.672   1.672
  207    H    HIS  32           H        HIS  32  -5.358   2.336   2.336
  208    HA   HIS  32           HA       HIS  32  -3.820   4.699   4.699
  209   1HB   HIS  32          1HB       HIS  32  -2.165   4.431   4.431
  210   2HB   HIS  32          2HB       HIS  32  -3.624   4.055   4.055
  211    HD1  HIS  32           HD1      HIS  32  -0.200   2.786   2.786
  212    HD2  HIS  32           HD2      HIS  32  -3.983   1.188   1.188
  213    HE1  HIS  32           HE1      HIS  32   0.138   0.391   0.391
  214    H    GLY  33           H        GLY  33  -1.414   4.042   4.042
  215   1HA   GLY  33          1HA       GLY  33  -1.293   1.464   1.464
  216   2HA   GLY  33          2HA       GLY  33  -0.567   2.855   2.855
  217    H    ALA  34           H        ALA  34   0.910   0.572   0.572
  218    HA   ALA  34           HA       ALA  34   3.089   1.804   1.804
  219   1HB   ALA  34          1HB       ALA  34   1.881  -0.666  -0.666
  220   2HB   ALA  34          2HB       ALA  34   3.460   0.036   0.036
  221   3HB   ALA  34          3HB       ALA  34   1.988   0.962   0.962
  222    H    CYS  35           H        CYS  35   5.030   1.047   1.047
  223    HA   CYS  35           HA       CYS  35   4.781  -0.826  -0.826
  224   1HB   CYS  35          1HB       CYS  35   7.062   0.790   0.790
  225   2HB   CYS  35          2HB       CYS  35   7.232  -0.350  -0.350
  226    H    HIS  36           H        HIS  36   5.708  -2.924  -2.924
  227    HA   HIS  36           HA       HIS  36   7.328  -3.983  -3.983
  228   1HB   HIS  36          1HB       HIS  36   5.217  -5.715  -5.715
  229   2HB   HIS  36          2HB       HIS  36   6.135  -5.958  -5.958
  230    HD1  HIS  36           HD1      HIS  36   5.416  -3.180  -3.180
  231    HD2  HIS  36           HD2      HIS  36   2.825  -5.626  -5.626
  232    HE1  HIS  36           HE1      HIS  36   3.104  -2.903  -2.903
  233    H    LYS  37           H        LYS  37   8.832  -5.548  -5.548
  234    HA   LYS  37           HA       LYS  37   9.198  -5.925  -5.925
  235   1HB   LYS  37          1HB       LYS  37  11.034  -5.413  -5.413
  236   2HB   LYS  37          2HB       LYS  37  10.862  -6.935  -6.935
  237   1HG   LYS  37          1HG       LYS  37  11.059  -7.883  -7.883
  238   2HG   LYS  37          2HG       LYS  37  11.646  -6.314  -6.314
  239   1HD   LYS  37          1HD       LYS  37  12.975  -7.729  -7.729
  240   2HD   LYS  37          2HD       LYS  37  13.197  -8.430  -8.430
  241   1HE   LYS  37          1HE       LYS  37  13.862  -5.944  -5.944
  242   2HE   LYS  37          2HE       LYS  37  14.162  -5.780  -5.780
  243   1HZ   LYS  37          1HZ       LYS  37  15.266  -8.153  -8.153
  244   2HZ   LYS  37          2HZ       LYS  37  15.857  -6.745  -6.745
  245    H    ARG  38           H        ARG  38   8.307  -7.518  -7.518
  246    HA   ARG  38           HA       ARG  38   7.748 -10.147 -10.147
  247   1HB   ARG  38          1HB       ARG  38   5.744  -8.605  -8.605
  248   2HB   ARG  38          2HB       ARG  38   5.911  -8.483  -8.483
  249   1HG   ARG  38          1HG       ARG  38   4.176  -9.989  -9.989
  250   2HG   ARG  38          2HG       ARG  38   5.490 -10.940 -10.940
  251   1HD   ARG  38          1HD       ARG  38   5.182 -10.629 -10.629
  252   2HD   ARG  38          2HD       ARG  38   4.126 -11.753 -11.753
  253   1HH1  ARG  38          1HH1      ARG  38   5.235 -12.089 -12.089
  254   2HH1  ARG  38          2HH1      ARG  38   6.166 -13.363 -13.363
  255   1HH2  ARG  38          1HH2      ARG  38   7.702 -14.258 -14.258
  256   2HH2  ARG  38          2HH2      ARG  38   7.633 -14.649 -14.649
  257    H    GLU  39           H        GLU  39   8.657 -11.728 -11.728
  258    HA   GLU  39           HA       GLU  39  10.014 -12.577 -12.577
  259   1HB   GLU  39          1HB       GLU  39   8.065 -11.352 -11.352
  260   2HB   GLU  39          2HB       GLU  39   9.047 -12.812 -12.812
  261   1HG   GLU  39          1HG       GLU  39   6.591 -12.387 -12.387
  262   2HG   GLU  39          2HG       GLU  39   6.804 -13.531 -13.531
  263    H    ASN  40           H        ASN  40  11.039 -10.318 -10.318
  264    HA   ASN  40           HA       ASN  40  12.492  -8.682  -8.682
  265   1HB   ASN  40          1HB       ASN  40  13.533 -10.625 -10.625
  266   2HB   ASN  40          2HB       ASN  40  13.068  -9.699  -9.699
  267   1HD2  ASN  40          2HD2      ASN  40  15.163  -9.018  -9.018
  268   2HD2  ASN  40          1HD2      ASN  40  16.252  -8.067  -8.067
  269    H    HIS  41           H        HIS  41   9.693  -8.229  -8.229
  270    HA   HIS  41           HA       HIS  41  10.417  -5.743  -5.743
  271   1HB   HIS  41          1HB       HIS  41   7.985  -7.525  -7.525
  272   2HB   HIS  41          2HB       HIS  41   8.104  -5.957  -5.957
  273    HD1  HIS  41           HD1      HIS  41  10.434  -5.787  -5.787
  274    HD2  HIS  41           HD2      HIS  41   8.946  -9.597  -9.597
  275    HE1  HIS  41           HE1      HIS  41  11.514  -7.483  -7.483
  276    H    TRP  42           H        TRP  42  10.014  -3.918  -3.918
  277    HA   TRP  42           HA       TRP  42   8.582  -4.125  -4.125
  278   1HB   TRP  42          1HB       TRP  42  10.063  -1.913  -1.913
  279   2HB   TRP  42          2HB       TRP  42   9.013  -1.659  -1.659
  280    HD1  TRP  42           HD1      TRP  42  12.220  -3.503  -3.503
  281    HE1  TRP  42           HE1      TRP  42  13.552  -3.882  -3.882
  282    HE3  TRP  42           HE3      TRP  42   8.674  -2.114  -2.114
  283    HZ2  TRP  42           HZ2      TRP  42  13.007  -3.880  -3.880
  284    HZ3  TRP  42           HZ3      TRP  42   9.110  -2.227  -2.227
  285    HH2  TRP  42           HH2      TRP  42  11.245  -3.180  -3.180
  286    H    LYS  43           H        LYS  43   6.370  -4.469  -4.469
  287    HA   LYS  43           HA       LYS  43   5.007  -2.837  -2.837
  288   1HB   LYS  43          1HB       LYS  43   3.601  -4.716  -4.716
  289   2HB   LYS  43          2HB       LYS  43   3.172  -4.253  -4.253
  290   1HG   LYS  43          1HG       LYS  43   5.375  -6.034  -6.034
  291   2HG   LYS  43          2HG       LYS  43   4.060  -6.583  -6.583
  292   1HD   LYS  43          1HD       LYS  43   6.196  -4.790  -4.790
  293   2HD   LYS  43          2HD       LYS  43   6.010  -6.528  -6.528
  294   1HE   LYS  43          1HE       LYS  43   5.170  -5.648  -5.648
  295   2HE   LYS  43          2HE       LYS  43   3.765  -6.207  -6.207
  296   1HZ   LYS  43          1HZ       LYS  43   4.278  -3.702  -3.702
  297   2HZ   LYS  43          2HZ       LYS  43   2.915  -4.204  -4.204
  298    H    CYS  44           H        CYS  44   3.858  -1.082  -1.082
  299    HA   CYS  44           HA       CYS  44   3.449  -0.172  -0.172
  300   1HB   CYS  44          1HB       CYS  44   3.594   1.488   1.488
  301   2HB   CYS  44          2HB       CYS  44   2.502   0.648   0.648
  302    H    PHE  45           H        PHE  45   2.143  -1.473  -1.473
  303    HA   PHE  45           HA       PHE  45  -0.203  -2.841  -2.841
  304   1HB   PHE  45          1HB       PHE  45   1.302  -3.095  -3.095
  305   2HB   PHE  45          2HB       PHE  45  -0.368  -3.565  -3.565
  306    HD1  PHE  45           HD2      PHE  45   2.724  -4.190  -4.190
  307    HD2  PHE  45           HD1      PHE  45  -0.952  -5.750  -5.750
  308    HE1  PHE  45           HE2      PHE  45   3.409  -6.505  -6.505
  309    HE2  PHE  45           HE1      PHE  45  -0.292  -8.036  -8.036
  310    HZ   PHE  45           HZ       PHE  45   1.891  -8.415  -8.415
  311    H    CYS  46           H        CYS  46  -2.274  -2.341  -2.341
  312    HA   CYS  46           HA       CYS  46  -2.684   0.199   0.199
  313   1HB   CYS  46          1HB       CYS  46  -4.277  -0.990  -0.990
  314   2HB   CYS  46          2HB       CYS  46  -4.790   0.358   0.358
  315    H    TYR  47           H        TYR  47  -4.451   0.222   0.222
  316    HA   TYR  47           HA       TYR  47  -5.294  -2.476  -2.476
  317   1HB   TYR  47          1HB       TYR  47  -4.371   0.109   0.109
  318   2HB   TYR  47          2HB       TYR  47  -5.056  -1.204  -1.204
  319    HD1  TYR  47           HD1      TYR  47  -2.153  -0.287  -0.287
  320    HD2  TYR  47           HD2      TYR  47  -3.767  -3.058  -3.058
  321    HE1  TYR  47           HE1      TYR  47   0.051  -1.367  -1.367
  322    HE2  TYR  47           HE2      TYR  47  -1.506  -3.973  -3.973
  323    HH   TYR  47           HH       TYR  47   0.594  -4.125  -4.125
  324    H    PHE  48           H        PHE  48  -7.496  -2.557  -2.557
  325    HA   PHE  48           HA       PHE  48  -8.751  -0.012  -0.012
  326   1HB   PHE  48          1HB       PHE  48  -9.318  -2.907  -2.907
  327   2HB   PHE  48          2HB       PHE  48 -10.617  -1.752  -1.752
  328    HD1  PHE  48           HD1      PHE  48  -7.064  -2.129  -2.129
  329    HD2  PHE  48           HD2      PHE  48 -11.031  -0.624  -0.624
  330    HE1  PHE  48           HE1      PHE  48  -6.373  -1.505  -1.505
  331    HE2  PHE  48           HE2      PHE  48 -10.353  -0.115  -0.115
  332    HZ   PHE  48           HZ       PHE  48  -8.045  -0.646  -0.646
  333    H    ASN  49           H        ASN  49 -10.157  -2.797  -2.797
  334    HA   ASN  49           HA       ASN  49 -12.190  -1.148  -1.148
  335   1HB   ASN  49          1HB       ASN  49 -11.622  -4.145  -4.145
  336   2HB   ASN  49          2HB       ASN  49 -13.139  -3.403  -3.403
  337   1HD2  ASN  49          2HD2      ASN  49 -14.634  -2.747  -2.747
  338   2HD2  ASN  49          1HD2      ASN  49 -14.342  -3.092  -3.092
  339    H    CYS  50           H        CYS  50  -9.642  -0.568  -0.568
  340    HA   CYS  50           HA       CYS  50  -9.374  -1.907  -1.907
  341   1HB   CYS  50          1HB       CYS  50  -7.464  -1.028  -1.028
  342   2HB   CYS  50          2HB       CYS  50  -7.933   0.533   0.533

  Start of MODEL    3
    1   1H    LEU   1          2H        LEU   1 -12.275  -4.047  -4.047
    2   2H    LEU   1          3H        LEU   1 -12.754  -5.410  -5.410
    3   3H    LEU   1          1H        LEU   1 -13.143  -5.264  -5.264
    4    HA   LEU   1           HA       LEU   1 -10.831  -5.333  -5.333
    5   1HB   LEU   1          1HB       LEU   1 -11.604  -7.693  -7.693
    6   2HB   LEU   1          2HB       LEU   1 -10.349  -7.648  -7.648
    7    HG   LEU   1           HG       LEU   1 -12.401  -6.941  -6.941
    8   1HD1  LEU   1          3HD1      LEU   1 -14.136  -7.005  -7.005
    9   2HD1  LEU   1          1HD1      LEU   1 -13.708  -8.696  -8.696
   10   3HD1  LEU   1          2HD1      LEU   1 -14.433  -8.221  -8.221
   11   1HD2  LEU   1          1HD2      LEU   1 -11.790  -9.782  -9.782
   12   2HD2  LEU   1          2HD2      LEU   1 -10.922  -8.870  -8.870
   13   3HD2  LEU   1          3HD2      LEU   1 -12.611  -9.334  -9.334
   14    H    CYS   2           H        CYS   2  -8.761  -4.833  -4.833
   15    HA   CYS   2           HA       CYS   2  -8.450  -3.420  -3.420
   16   1HB   CYS   2          1HB       CYS   2  -6.043  -4.713  -4.713
   17   2HB   CYS   2          2HB       CYS   2  -6.186  -3.144  -3.144
   18    H    ASN   3           H        ASN   3  -8.899  -4.077  -4.077
   19    HA   ASN   3           HA       ASN   3  -8.004  -6.705  -6.705
   20   1HB   ASN   3          1HB       ASN   3 -10.157  -6.147  -6.147
   21   2HB   ASN   3          2HB       ASN   3  -9.711  -4.493  -4.493
   22   1HD2  ASN   3          2HD2      ASN   3  -8.090  -7.667  -7.667
   23   2HD2  ASN   3          1HD2      ASN   3  -8.151  -7.417  -7.417
   24    H    GLU   4           H        GLU   4  -5.774  -6.441  -6.441
   25    HA   GLU   4           HA       GLU   4  -4.267  -4.409  -4.409
   26   1HB   GLU   4          1HB       GLU   4  -3.354  -5.488  -5.488
   27   2HB   GLU   4          2HB       GLU   4  -3.630  -7.098  -7.098
   28   1HG   GLU   4          1HG       GLU   4  -2.055  -6.747  -6.747
   29   2HG   GLU   4          2HG       GLU   4  -1.771  -5.044  -5.044
   30    H    ARG   5           H        ARG   5  -3.885  -4.441  -4.441
   31    HA   ARG   5           HA       ARG   5  -3.862  -6.973  -6.973
   32   1HB   ARG   5          1HB       ARG   5  -5.327  -5.995  -5.995
   33   2HB   ARG   5          2HB       ARG   5  -6.172  -6.311  -6.311
   34   1HG   ARG   5          1HG       ARG   5  -6.230  -3.972  -3.972
   35   2HG   ARG   5          2HG       ARG   5  -5.102  -3.571  -3.571
   36   1HD   ARG   5          1HD       ARG   5  -7.226  -3.017  -3.017
   37   2HD   ARG   5          2HD       ARG   5  -6.785  -4.552  -4.552
   38   1HH1  ARG   5          1HH1      ARG   5  -8.652  -4.273  -4.273
   39   2HH1  ARG   5          2HH1      ARG   5 -10.341  -4.655  -4.655
   40   1HH2  ARG   5          1HH2      ARG   5 -10.478  -5.319  -5.319
   41   2HH2  ARG   5          2HH2      ARG   5 -11.439  -5.308  -5.308
   42    HA   PRO   6           HA       PRO   6  -0.342  -5.047  -5.047
   43   1HB   PRO   6          1HB       PRO   6  -0.071  -6.116  -6.116
   44   2HB   PRO   6          2HB       PRO   6   0.111  -7.063  -7.063
   45   1HG   PRO   6          1HG       PRO   6  -2.378  -6.783  -6.783
   46   2HG   PRO   6          2HG       PRO   6  -1.600  -8.298  -8.298
   47   1HD   PRO   6          1HD       PRO   6  -3.679  -7.259  -7.259
   48   2HD   PRO   6          2HD       PRO   6  -2.288  -7.913  -7.913
   49    H    SER   7           H        SER   7   0.549  -3.941  -3.941
   50    HA   SER   7           HA       SER   7  -0.617  -1.422  -1.422
   51   1HB   SER   7          1HB       SER   7   0.869  -1.428  -1.428
   52   2HB   SER   7          2HB       SER   7   1.679  -1.714  -1.714
   53    HG   SER   7           HG       SER   7   0.820  -3.734  -3.734
   54    H    GLN   8           H        GLN   8  -2.732  -1.304  -1.304
   55    HA   GLN   8           HA       GLN   8  -3.539  -2.690  -2.690
   56   1HB   GLN   8          1HB       GLN   8  -5.014  -0.627  -0.627
   57   2HB   GLN   8          2HB       GLN   8  -5.650  -1.587  -1.587
   58   1HG   GLN   8          1HG       GLN   8  -5.081  -3.673  -3.673
   59   2HG   GLN   8          2HG       GLN   8  -4.688  -2.622  -2.622
   60   1HE2  GLN   8          2HE2      GLN   8  -6.606  -0.839  -0.839
   61   2HE2  GLN   8          1HE2      GLN   8  -8.203  -1.555  -1.555
   62    H    THR   9           H        THR   9  -3.285   0.804   0.804
   63    HA   THR   9           HA       THR   9  -3.248   1.709   1.709
   64    HB   THR   9           HB       THR   9  -2.506   3.884   3.884
   65    HG1  THR   9           HG1      THR   9  -2.671   3.965   3.965
   66   1HG2  THR   9          3HG2      THR   9  -5.161   2.554   2.554
   67   2HG2  THR   9          1HG2      THR   9  -4.804   4.275   4.275
   68   3HG2  THR   9          2HG2      THR   9  -4.793   3.589   3.589
   69    H    TRP  10           H        TRP  10  -0.907   1.505   1.505
   70    HA   TRP  10           HA       TRP  10   1.261   2.669   2.669
   71   1HB   TRP  10          1HB       TRP  10   0.892   2.477   2.477
   72   2HB   TRP  10          2HB       TRP  10   1.382   0.788   0.788
   73    HD1  TRP  10           HD1      TRP  10   3.981   0.557   0.557
   74    HE1  TRP  10           HE1      TRP  10   6.074   2.057   2.057
   75    HE3  TRP  10           HE3      TRP  10   1.826   4.511   4.511
   76    HZ2  TRP  10           HZ2      TRP  10   6.682   4.612   4.612
   77    HZ3  TRP  10           HZ3      TRP  10   3.211   6.444   6.444
   78    HH2  TRP  10           HH2      TRP  10   5.664   6.478   6.478
   79    H    SER  11           H        SER  11   1.032   1.488   1.488
   80    HA   SER  11           HA       SER  11   1.582  -1.313  -1.313
   81   1HB   SER  11          1HB       SER  11   1.436   0.707   0.707
   82   2HB   SER  11          2HB       SER  11   1.310  -1.053  -1.053
   83    HG   SER  11           HG       SER  11  -0.468   0.586   0.586
   84    H    GLY  12           H        GLY  12   3.686  -0.931  -0.931
   85   1HA   GLY  12          1HA       GLY  12   5.816  -1.797  -1.797
   86   2HA   GLY  12          2HA       GLY  12   6.024  -0.061  -0.061
   87    H    ASN  13           H        ASN  13   7.848  -0.301  -0.301
   88    HA   ASN  13           HA       ASN  13   7.742  -1.837  -1.837
   89   1HB   ASN  13          1HB       ASN  13   9.733  -2.019  -2.019
   90   2HB   ASN  13          2HB       ASN  13  10.065  -0.302  -0.302
   91   1HD2  ASN  13          2HD2      ASN  13  10.622   0.385   0.385
   92   2HD2  ASN  13          1HD2      ASN  13  11.358  -0.846  -0.846
   93    H    CYS  14           H        CYS  14   8.078  -0.709  -0.709
   94    HA   CYS  14           HA       CYS  14   6.834   1.771   1.771
   95   1HB   CYS  14          1HB       CYS  14   7.277   0.025   0.025
   96   2HB   CYS  14          2HB       CYS  14   9.005   0.436   0.436
   97    H    GLY  15           H        GLY  15   7.665   3.782   3.782
   98   1HA   GLY  15          1HA       GLY  15  10.461   4.477   4.477
   99   2HA   GLY  15          2HA       GLY  15   9.067   5.539   5.539
  100    H    ASN  16           H        ASN  16   7.674   5.440   5.440
  101    HA   ASN  16           HA       ASN  16   9.317   5.443   5.443
  102   1HB   ASN  16          1HB       ASN  16   9.621   7.765   7.765
  103   2HB   ASN  16          2HB       ASN  16   7.888   8.046   8.046
  104   1HD2  ASN  16          2HD2      ASN  16  10.207   9.442   9.442
  105   2HD2  ASN  16          1HD2      ASN  16  10.029   9.196   9.196
  106    H    THR  17           H        THR  17   8.094   4.703   4.703
  107    HA   THR  17           HA       THR  17   5.422   3.866   3.866
  108    HB   THR  17           HB       THR  17   7.106   2.871   2.871
  109    HG1  THR  17           HG1      THR  17   4.612   3.446   3.446
  110   1HG2  THR  17          3HG2      THR  17   7.835   4.931   4.931
  111   2HG2  THR  17          1HG2      THR  17   6.233   5.034   5.034
  112   3HG2  THR  17          2HG2      THR  17   7.284   3.646   3.646
  113    H    ALA  18           H        ALA  18   6.839   6.819   6.819
  114    HA   ALA  18           HA       ALA  18   4.485   7.992   7.992
  115   1HB   ALA  18          1HB       ALA  18   6.808   8.781   8.781
  116   2HB   ALA  18          2HB       ALA  18   6.903   9.361   9.361
  117   3HB   ALA  18          3HB       ALA  18   5.736  10.080  10.080
  118    H    HIS  19           H        HIS  19   5.406   7.434   7.434
  119    HA   HIS  19           HA       HIS  19   3.382   9.338   9.338
  120   1HB   HIS  19          1HB       HIS  19   5.630   9.071   9.071
  121   2HB   HIS  19          2HB       HIS  19   5.197   7.423   7.423
  122    HD1  HIS  19           HD1      HIS  19   5.910   8.910   8.910
  123    HD2  HIS  19           HD2      HIS  19   2.038   9.252   9.252
  124    HE1  HIS  19           HE1      HIS  19   4.291   9.404   9.404
  125    H    CYS  20           H        CYS  20   4.228   5.834   5.834
  126    HA   CYS  20           HA       CYS  20   2.115   4.626   4.626
  127   1HB   CYS  20          1HB       CYS  20   3.852   3.305   3.305
  128   2HB   CYS  20          2HB       CYS  20   3.338   3.866   3.866
  129    H    ASP  21           H        ASP  21   2.113   5.659   5.659
  130    HA   ASP  21           HA       ASP  21  -0.556   4.883   4.883
  131   1HB   ASP  21          1HB       ASP  21   1.020   5.429   5.429
  132   2HB   ASP  21          2HB       ASP  21   1.215   7.085   7.085
  133    H    LYS  22           H        LYS  22   0.771   7.927   7.927
  134    HA   LYS  22           HA       LYS  22  -1.649   9.436   9.436
  135   1HB   LYS  22          1HB       LYS  22   0.401   9.816   9.816
  136   2HB   LYS  22          2HB       LYS  22  -0.863  10.931  10.931
  137   1HG   LYS  22          1HG       LYS  22   0.215  10.815  10.815
  138   2HG   LYS  22          2HG       LYS  22   1.494   9.916   9.916
  139   1HD   LYS  22          1HD       LYS  22   1.578  12.004  12.004
  140   2HD   LYS  22          2HD       LYS  22   0.637  12.824  12.824
  141   1HE   LYS  22          1HE       LYS  22   3.512  11.865  11.865
  142   2HE   LYS  22          2HE       LYS  22   2.862  13.461  13.461
  143   1HZ   LYS  22          1HZ       LYS  22   3.229  11.132  11.132
  144   2HZ   LYS  22          2HZ       LYS  22   3.109  12.750  12.750
  145    H    GLN  23           H        GLN  23  -0.195   7.380   7.380
  146    HA   GLN  23           HA       GLN  23  -2.273   7.807   7.807
  147   1HB   GLN  23          1HB       GLN  23  -0.703   5.260   5.260
  148   2HB   GLN  23          2HB       GLN  23  -1.629   6.003   6.003
  149   1HG   GLN  23          1HG       GLN  23   0.017   8.093   8.093
  150   2HG   GLN  23          2HG       GLN  23   1.050   6.705   6.705
  151   1HE2  GLN  23          2HE2      GLN  23   0.109   5.012   5.012
  152   2HE2  GLN  23          1HE2      GLN  23   0.627   5.830   5.830
  153    H    CYS  24           H        CYS  24  -1.851   5.117   5.117
  154    HA   CYS  24           HA       CYS  24  -4.215   3.748   3.748
  155   1HB   CYS  24          1HB       CYS  24  -2.767   4.025   4.025
  156   2HB   CYS  24          2HB       CYS  24  -3.995   2.808   2.808
  157    H    GLN  25           H        GLN  25  -3.810   6.524   6.524
  158    HA   GLN  25           HA       GLN  25  -6.621   6.352   6.352
  159   1HB   GLN  25          1HB       GLN  25  -4.527   8.489   8.489
  160   2HB   GLN  25          2HB       GLN  25  -6.147   8.429   8.429
  161   1HG   GLN  25          1HG       GLN  25  -5.652   6.274   6.274
  162   2HG   GLN  25          2HG       GLN  25  -4.041   6.246   6.246
  163   1HE2  GLN  25          2HE2      GLN  25  -5.457   6.715   6.715
  164   2HE2  GLN  25          1HE2      GLN  25  -4.424   7.952   7.952
  165    H    ASP  26           H        ASP  26  -4.767   8.241   8.241
  166    HA   ASP  26           HA       ASP  26  -6.952  10.166  10.166
  167   1HB   ASP  26          1HB       ASP  26  -4.171  10.005  10.005
  168   2HB   ASP  26          2HB       ASP  26  -5.406  11.140  11.140
  169    H    TRP  27           H        TRP  27  -5.086   7.855   7.855
  170    HA   TRP  27           HA       TRP  27  -6.664   8.336   8.336
  171   1HB   TRP  27          1HB       TRP  27  -4.555   6.230   6.230
  172   2HB   TRP  27          2HB       TRP  27  -5.362   6.295   6.295
  173    HD1  TRP  27           HD1      TRP  27  -3.889   9.381   9.381
  174    HE1  TRP  27           HE1      TRP  27  -1.869  10.232  10.232
  175    HE3  TRP  27           HE3      TRP  27  -3.843   5.858   5.858
  176    HZ2  TRP  27           HZ2      TRP  27  -0.341   9.385   9.385
  177    HZ3  TRP  27           HZ3      TRP  27  -2.044   5.831   5.831
  178    HH2  TRP  27           HH2      TRP  27  -0.282   7.549   7.549
  179    H    GLU  28           H        GLU  28  -6.022   5.644   5.644
  180    HA   GLU  28           HA       GLU  28  -8.455   4.127   4.127
  181   1HB   GLU  28          1HB       GLU  28  -6.150   3.647   3.647
  182   2HB   GLU  28          2HB       GLU  28  -7.457   2.514   2.514
  183   1HG   GLU  28          1HG       GLU  28  -6.887   2.337   2.337
  184   2HG   GLU  28          2HG       GLU  28  -5.510   3.417   3.417
  185    H    LYS  29           H        LYS  29  -8.736   3.378   3.378
  186    HA   LYS  29           HA       LYS  29  -9.415   5.685   5.685
  187   1HB   LYS  29          1HB       LYS  29 -11.635   4.051   4.051
  188   2HB   LYS  29          2HB       LYS  29 -11.931   4.884   4.884
  189   1HG   LYS  29          1HG       LYS  29 -11.200   6.293   6.293
  190   2HG   LYS  29          2HG       LYS  29 -12.802   6.096   6.096
  191   1HD   LYS  29          1HD       LYS  29 -12.604   7.615   7.615
  192   2HD   LYS  29          2HD       LYS  29 -10.912   7.288   7.288
  193   1HE   LYS  29          1HE       LYS  29 -11.882   8.819   8.819
  194   2HE   LYS  29          2HE       LYS  29 -11.372   9.581   9.581
  195   1HZ   LYS  29          1HZ       LYS  29  -9.593   7.698   7.698
  196   2HZ   LYS  29          2HZ       LYS  29  -9.674   9.309   9.309
  197    H    ALA  30           H        ALA  30  -7.662   4.034   4.034
  198    HA   ALA  30           HA       ALA  30  -8.560   1.766   1.766
  199   1HB   ALA  30          1HB       ALA  30  -6.493   1.789   1.789
  200   2HB   ALA  30          2HB       ALA  30  -5.824   3.014   3.014
  201   3HB   ALA  30          3HB       ALA  30  -6.165   1.381   1.381
  202    H    SER  31           H        SER  31  -7.985   1.739   1.739
  203    HA   SER  31           HA       SER  31  -8.373   4.078   4.078
  204   1HB   SER  31          1HB       SER  31  -6.961   1.484   1.484
  205   2HB   SER  31          2HB       SER  31  -7.741   2.593   2.593
  206    HG   SER  31           HG       SER  31  -9.739   2.102   2.102
  207    H    HIS  32           H        HIS  32  -5.464   2.271   2.271
  208    HA   HIS  32           HA       HIS  32  -3.970   4.699   4.699
  209   1HB   HIS  32          1HB       HIS  32  -2.339   4.461   4.461
  210   2HB   HIS  32          2HB       HIS  32  -3.786   4.029   4.029
  211    HD1  HIS  32           HD1      HIS  32  -0.331   2.861   2.861
  212    HD2  HIS  32           HD2      HIS  32  -4.080   1.161   1.161
  213    HE1  HIS  32           HE1      HIS  32   0.075   0.481   0.481
  214    H    GLY  33           H        GLY  33  -1.537   4.056   4.056
  215   1HA   GLY  33          1HA       GLY  33  -1.384   1.444   1.444
  216   2HA   GLY  33          2HA       GLY  33  -0.709   2.820   2.820
  217    H    ALA  34           H        ALA  34   0.845   0.640   0.640
  218    HA   ALA  34           HA       ALA  34   3.020   1.845   1.845
  219   1HB   ALA  34          1HB       ALA  34   1.787  -0.648  -0.648
  220   2HB   ALA  34          2HB       ALA  34   3.374   0.019   0.019
  221   3HB   ALA  34          3HB       ALA  34   1.911   0.958   0.958
  222    H    CYS  35           H        CYS  35   4.948   1.125   1.125
  223    HA   CYS  35           HA       CYS  35   4.678  -0.756  -0.756
  224   1HB   CYS  35          1HB       CYS  35   6.985   0.829   0.829
  225   2HB   CYS  35          2HB       CYS  35   7.148  -0.344  -0.344
  226    H    HIS  36           H        HIS  36   5.606  -2.871  -2.871
  227    HA   HIS  36           HA       HIS  36   7.231  -3.905  -3.905
  228   1HB   HIS  36          1HB       HIS  36   5.137  -5.671  -5.671
  229   2HB   HIS  36          2HB       HIS  36   6.062  -5.887  -5.887
  230    HD1  HIS  36           HD1      HIS  36   5.273  -3.097  -3.097
  231    HD2  HIS  36           HD2      HIS  36   2.767  -5.653  -5.653
  232    HE1  HIS  36           HE1      HIS  36   2.954  -2.881  -2.881
  233    H    LYS  37           H        LYS  37   8.745  -5.474  -5.474
  234    HA   LYS  37           HA       LYS  37   9.058  -5.890  -5.890
  235   1HB   LYS  37          1HB       LYS  37  10.952  -5.439  -5.439
  236   2HB   LYS  37          2HB       LYS  37  10.711  -6.931  -6.931
  237   1HG   LYS  37          1HG       LYS  37  10.820  -7.988  -7.988
  238   2HG   LYS  37          2HG       LYS  37  11.391  -6.465  -6.465
  239   1HD   LYS  37          1HD       LYS  37  12.811  -7.723  -7.723
  240   2HD   LYS  37          2HD       LYS  37  13.008  -8.514  -8.514
  241   1HE   LYS  37          1HE       LYS  37  13.558  -5.966  -5.966
  242   2HE   LYS  37          2HE       LYS  37  13.960  -5.828  -5.828
  243   1HZ   LYS  37          1HZ       LYS  37  15.059  -8.147  -8.147
  244   2HZ   LYS  37          2HZ       LYS  37  15.563  -6.713  -6.713
  245    H    ARG  38           H        ARG  38   8.112  -7.432  -7.432
  246    HA   ARG  38           HA       ARG  38   7.703 -10.152 -10.152
  247   1HB   ARG  38          1HB       ARG  38   5.971  -8.614  -8.614
  248   2HB   ARG  38          2HB       ARG  38   5.785 -10.329 -10.329
  249   1HG   ARG  38          1HG       ARG  38   5.277  -8.006  -8.006
  250   2HG   ARG  38          2HG       ARG  38   4.066  -8.939  -8.939
  251   1HD   ARG  38          1HD       ARG  38   4.039  -9.835  -9.835
  252   2HD   ARG  38          2HD       ARG  38   4.899 -11.028 -11.028
  253   1HH1  ARG  38          1HH2      ARG  38   4.904 -11.981 -11.981
  254   2HH1  ARG  38          2HH2      ARG  38   6.110 -12.527 -12.527
  255   1HH2  ARG  38          1HH1      ARG  38   8.262  -9.756  -9.756
  256   2HH2  ARG  38          2HH1      ARG  38   8.107 -11.163 -11.163
  257    H    GLU  39           H        GLU  39   8.686 -11.687 -11.687
  258    HA   GLU  39           HA       GLU  39  10.302 -12.412 -12.412
  259   1HB   GLU  39          1HB       GLU  39   8.030 -11.385 -11.385
  260   2HB   GLU  39          2HB       GLU  39   9.299 -12.508 -12.508
  261   1HG   GLU  39          1HG       GLU  39   7.479 -13.895 -13.895
  262   2HG   GLU  39          2HG       GLU  39   8.580 -14.056 -14.056
  263    H    ASN  40           H        ASN  40  11.328 -10.225 -10.225
  264    HA   ASN  40           HA       ASN  40  12.795  -8.616  -8.616
  265   1HB   ASN  40          1HB       ASN  40  13.723 -10.250 -10.250
  266   2HB   ASN  40          2HB       ASN  40  12.952  -9.254  -9.254
  267   1HD2  ASN  40          2HD2      ASN  40  14.784  -8.221  -8.221
  268   2HD2  ASN  40          1HD2      ASN  40  15.951  -7.289  -7.289
  269    H    HIS  41           H        HIS  41   9.873  -8.314  -8.314
  270    HA   HIS  41           HA       HIS  41  10.381  -5.616  -5.616
  271   1HB   HIS  41          1HB       HIS  41   7.980  -7.438  -7.438
  272   2HB   HIS  41          2HB       HIS  41   8.059  -5.859  -5.859
  273    HD1  HIS  41           HD1      HIS  41  10.217  -5.645  -5.645
  274    HD2  HIS  41           HD2      HIS  41   8.911  -9.492  -9.492
  275    HE1  HIS  41           HE1      HIS  41  11.186  -7.309  -7.309
  276    H    TRP  42           H        TRP  42  10.031  -3.876  -3.876
  277    HA   TRP  42           HA       TRP  42   8.484  -4.127  -4.127
  278   1HB   TRP  42          1HB       TRP  42   9.960  -1.862  -1.862
  279   2HB   TRP  42          2HB       TRP  42   8.898  -1.686  -1.686
  280    HD1  TRP  42           HD1      TRP  42  12.066  -3.606  -3.606
  281    HE1  TRP  42           HE1      TRP  42  13.445  -3.929  -3.929
  282    HE3  TRP  42           HE3      TRP  42   8.610  -2.064  -2.064
  283    HZ2  TRP  42           HZ2      TRP  42  12.881  -3.988  -3.988
  284    HZ3  TRP  42           HZ3      TRP  42   9.046  -2.185  -2.185
  285    HH2  TRP  42           HH2      TRP  42  11.158  -3.216  -3.216
  286    H    LYS  43           H        LYS  43   6.274  -4.360  -4.360
  287    HA   LYS  43           HA       LYS  43   4.962  -2.753  -2.753
  288   1HB   LYS  43          1HB       LYS  43   3.498  -4.631  -4.631
  289   2HB   LYS  43          2HB       LYS  43   3.140  -4.180  -4.180
  290   1HG   LYS  43          1HG       LYS  43   5.312  -5.948  -5.948
  291   2HG   LYS  43          2HG       LYS  43   4.024  -6.505  -6.505
  292   1HD   LYS  43          1HD       LYS  43   6.195  -4.731  -4.731
  293   2HD   LYS  43          2HD       LYS  43   5.989  -6.467  -6.467
  294   1HE   LYS  43          1HE       LYS  43   5.196  -5.632  -5.632
  295   2HE   LYS  43          2HE       LYS  43   3.749  -6.090  -6.090
  296   1HZ   LYS  43          1HZ       LYS  43   4.411  -3.651  -3.651
  297   2HZ   LYS  43          2HZ       LYS  43   3.008  -4.049  -4.049
  298    H    CYS  44           H        CYS  44   3.793  -1.005  -1.005
  299    HA   CYS  44           HA       CYS  44   3.408  -0.063  -0.063
  300   1HB   CYS  44          1HB       CYS  44   3.531   1.560   1.560
  301   2HB   CYS  44          2HB       CYS  44   2.416   0.724   0.724
  302    H    PHE  45           H        PHE  45   2.196  -1.468  -1.468
  303    HA   PHE  45           HA       PHE  45  -0.188  -2.802  -2.802
  304   1HB   PHE  45          1HB       PHE  45   1.354  -3.071  -3.071
  305   2HB   PHE  45          2HB       PHE  45  -0.333  -3.497  -3.497
  306    HD1  PHE  45           HD2      PHE  45   2.735  -4.203  -4.203
  307    HD2  PHE  45           HD1      PHE  45  -1.037  -5.634  -5.634
  308    HE1  PHE  45           HE2      PHE  45   3.285  -6.504  -6.504
  309    HE2  PHE  45           HE1      PHE  45  -0.492  -7.919  -7.919
  310    HZ   PHE  45           HZ       PHE  45   1.665  -8.360  -8.360
  311    H    CYS  46           H        CYS  46  -2.244  -2.346  -2.346
  312    HA   CYS  46           HA       CYS  46  -2.698   0.214   0.214
  313   1HB   CYS  46          1HB       CYS  46  -4.297  -1.038  -1.038
  314   2HB   CYS  46          2HB       CYS  46  -4.695   0.421   0.421
  315    H    TYR  47           H        TYR  47  -4.395   0.230   0.230
  316    HA   TYR  47           HA       TYR  47  -5.306  -2.459  -2.459
  317   1HB   TYR  47          1HB       TYR  47  -4.291   0.062   0.062
  318   2HB   TYR  47          2HB       TYR  47  -5.061  -1.221  -1.221
  319    HD1  TYR  47           HD1      TYR  47  -2.094  -0.430  -0.430
  320    HD2  TYR  47           HD2      TYR  47  -3.845  -3.111  -3.111
  321    HE1  TYR  47           HE1      TYR  47   0.066  -1.596  -1.596
  322    HE2  TYR  47           HE2      TYR  47  -1.629  -4.122  -4.122
  323    HH   TYR  47           HH       TYR  47   0.480  -4.368  -4.368
  324    H    PHE  48           H        PHE  48  -7.507  -2.393  -2.393
  325    HA   PHE  48           HA       PHE  48  -9.019   0.142   0.142
  326   1HB   PHE  48          1HB       PHE  48  -9.499  -2.615  -2.615
  327   2HB   PHE  48          2HB       PHE  48 -10.771  -1.472  -1.472
  328    HD1  PHE  48           HD2      PHE  48  -7.371  -1.929  -1.929
  329    HD2  PHE  48           HD1      PHE  48 -11.122   0.219   0.219
  330    HE1  PHE  48           HE2      PHE  48  -6.720  -0.895  -0.895
  331    HE2  PHE  48           HE1      PHE  48 -10.541   1.058   1.058
  332    HZ   PHE  48           HZ       PHE  48  -8.363   0.438   0.438
  333    H    ASN  49           H        ASN  49 -11.264  -0.429  -0.429
  334    HA   ASN  49           HA       ASN  49 -12.638  -1.308  -1.308
  335   1HB   ASN  49          1HB       ASN  49 -11.753  -3.199  -3.199
  336   2HB   ASN  49          2HB       ASN  49 -11.020  -3.863  -3.863
  337   1HD2  ASN  49          2HD2      ASN  49 -13.972  -3.019  -3.019
  338   2HD2  ASN  49          1HD2      ASN  49 -15.018  -4.072  -4.072
  339    H    CYS  50           H        CYS  50  -9.971  -0.188  -0.188
  340    HA   CYS  50           HA       CYS  50  -9.451  -2.005  -2.005
  341   1HB   CYS  50          1HB       CYS  50  -7.674  -1.231  -1.231
  342   2HB   CYS  50          2HB       CYS  50  -7.908   0.354   0.354

  Start of MODEL    4
    1   1H    LEU   1          3H        LEU   1 -12.712  -4.963  -4.963
    2   2H    LEU   1          1H        LEU   1 -12.997  -4.702  -4.702
    3   3H    LEU   1          2H        LEU   1 -12.127  -3.573  -3.573
    4    HA   LEU   1           HA       LEU   1 -10.672  -4.778  -4.778
    5   1HB   LEU   1          1HB       LEU   1 -10.385  -7.108  -7.108
    6   2HB   LEU   1          2HB       LEU   1 -12.082  -6.766  -6.766
    7    HG   LEU   1           HG       LEU   1 -12.001  -8.671  -8.671
    8   1HD1  LEU   1          1HD1      LEU   1 -13.673  -7.019  -7.019
    9   2HD1  LEU   1          2HD1      LEU   1 -12.540  -6.608  -6.608
   10   3HD1  LEU   1          3HD1      LEU   1 -13.181  -8.245  -8.245
   11   1HD2  LEU   1          1HD2      LEU   1  -9.637  -8.510  -8.510
   12   2HD2  LEU   1          2HD2      LEU   1 -10.774  -9.154  -9.154
   13   3HD2  LEU   1          3HD2      LEU   1 -10.176  -7.506  -7.506
   14    H    CYS   2           H        CYS   2  -8.481  -5.128  -5.128
   15    HA   CYS   2           HA       CYS   2  -8.203  -3.580  -3.580
   16   1HB   CYS   2          1HB       CYS   2  -5.855  -4.805  -4.805
   17   2HB   CYS   2          2HB       CYS   2  -5.987  -3.276  -3.276
   18    H    ASN   3           H        ASN   3  -9.076  -4.839  -4.839
   19    HA   ASN   3           HA       ASN   3  -7.568  -7.210  -7.210
   20   1HB   ASN   3          1HB       ASN   3  -8.851  -7.515  -7.515
   21   2HB   ASN   3          2HB       ASN   3  -9.988  -6.924  -6.924
   22   1HD2  ASN   3          2HD2      ASN   3 -11.285  -5.165  -5.165
   23   2HD2  ASN   3          1HD2      ASN   3 -11.174  -4.393  -4.393
   24    H    GLU   4           H        GLU   4  -5.586  -7.048  -7.048
   25    HA   GLU   4           HA       GLU   4  -4.432  -4.587  -4.587
   26   1HB   GLU   4          1HB       GLU   4  -3.194  -5.675  -5.675
   27   2HB   GLU   4          2HB       GLU   4  -3.371  -7.266  -7.266
   28   1HG   GLU   4          1HG       GLU   4  -1.960  -6.680  -6.680
   29   2HG   GLU   4          2HG       GLU   4  -1.844  -4.974  -4.974
   30    H    ARG   5           H        ARG   5  -3.891  -4.400  -4.400
   31    HA   ARG   5           HA       ARG   5  -3.947  -6.764  -6.764
   32   1HB   ARG   5          1HB       ARG   5  -5.988  -4.601  -4.601
   33   2HB   ARG   5          2HB       ARG   5  -5.231  -4.861  -4.861
   34   1HG   ARG   5          1HG       ARG   5  -5.646  -7.235  -7.235
   35   2HG   ARG   5          2HG       ARG   5  -6.325  -7.094  -7.094
   36   1HD   ARG   5          1HD       ARG   5  -7.454  -5.815  -5.815
   37   2HD   ARG   5          2HD       ARG   5  -8.102  -7.245  -7.245
   38   1HH1  ARG   5          1HH2      ARG   5  -8.072  -3.894  -3.894
   39   2HH1  ARG   5          2HH2      ARG   5  -9.186  -2.696  -2.696
   40   1HH2  ARG   5          1HH1      ARG   5  -9.733  -4.256  -4.256
   41   2HH2  ARG   5          2HH1      ARG   5 -10.006  -2.795  -2.795
   42    HA   PRO   6           HA       PRO   6  -0.491  -5.103  -5.103
   43   1HB   PRO   6          1HB       PRO   6  -0.036  -6.035  -6.035
   44   2HB   PRO   6          2HB       PRO   6  -0.260  -7.101  -7.101
   45   1HG   PRO   6          1HG       PRO   6  -2.395  -6.173  -6.173
   46   2HG   PRO   6          2HG       PRO   6  -1.999  -7.858  -7.858
   47   1HD   PRO   6          1HD       PRO   6  -3.987  -6.488  -6.488
   48   2HD   PRO   6          2HD       PRO   6  -2.915  -7.578  -7.578
   49    H    SER   7           H        SER   7   0.749  -3.989  -3.989
   50    HA   SER   7           HA       SER   7  -0.335  -1.420  -1.420
   51   1HB   SER   7          1HB       SER   7   1.263  -1.504  -1.504
   52   2HB   SER   7          2HB       SER   7   2.000  -1.762  -1.762
   53    HG   SER   7           HG       SER   7   1.132  -3.817  -3.817
   54    H    GLN   8           H        GLN   8  -2.371  -1.493  -1.493
   55    HA   GLN   8           HA       GLN   8  -3.196  -2.716  -2.716
   56   1HB   GLN   8          1HB       GLN   8  -4.559  -1.018  -1.018
   57   2HB   GLN   8          2HB       GLN   8  -5.394  -1.702  -1.702
   58   1HG   GLN   8          1HG       GLN   8  -5.229  -3.864  -3.864
   59   2HG   GLN   8          2HG       GLN   8  -3.793  -3.628  -3.628
   60   1HE2  GLN   8          2HE2      GLN   8  -3.897  -2.430  -2.430
   61   2HE2  GLN   8          1HE2      GLN   8  -5.403  -2.381  -2.381
   62    H    THR   9           H        THR   9  -2.948   0.544   0.544
   63    HA   THR   9           HA       THR   9  -3.232   2.080   2.080
   64    HB   THR   9           HB       THR   9  -2.299   3.803   3.803
   65    HG1  THR   9           HG1      THR   9  -2.564   2.923   2.923
   66   1HG2  THR   9          3HG2      THR   9  -4.729   3.540   3.540
   67   2HG2  THR   9          1HG2      THR   9  -4.882   2.313   2.313
   68   3HG2  THR   9          2HG2      THR   9  -4.469   3.991   3.991
   69    H    TRP  10           H        TRP  10  -0.700   1.324   1.324
   70    HA   TRP  10           HA       TRP  10   1.076   3.124   3.124
   71   1HB   TRP  10          1HB       TRP  10   1.157   2.145   2.145
   72   2HB   TRP  10          2HB       TRP  10   1.762   0.619   0.619
   73    HD1  TRP  10           HD1      TRP  10   4.266   0.649   0.649
   74    HE1  TRP  10           HE1      TRP  10   6.255   2.288   2.288
   75    HE3  TRP  10           HE3      TRP  10   1.881   4.474   4.474
   76    HZ2  TRP  10           HZ2      TRP  10   6.719   4.897   4.897
   77    HZ3  TRP  10           HZ3      TRP  10   3.081   6.524   6.524
   78    HH2  TRP  10           HH2      TRP  10   5.561   6.730   6.730
   79    H    SER  11           H        SER  11   2.924   3.249   3.249
   80    HA   SER  11           HA       SER  11   3.075   1.608   1.608
   81   1HB   SER  11          1HB       SER  11   4.999   3.252   3.252
   82   2HB   SER  11          2HB       SER  11   3.409   3.990   3.990
   83    HG   SER  11           HG       SER  11   5.452   3.590   3.590
   84    H    GLY  12           H        GLY  12   3.461  -0.423  -0.423
   85   1HA   GLY  12          1HA       GLY  12   5.011  -2.188  -2.188
   86   2HA   GLY  12          2HA       GLY  12   6.220  -1.058  -1.058
   87    H    ASN  13           H        ASN  13   7.453  -0.077  -0.077
   88    HA   ASN  13           HA       ASN  13   7.786  -1.607  -1.607
   89   1HB   ASN  13          1HB       ASN  13   9.539  -1.864  -1.864
   90   2HB   ASN  13          2HB       ASN  13   9.993  -0.170  -0.170
   91   1HD2  ASN  13          2HD2      ASN  13  11.020   0.396   0.396
   92   2HD2  ASN  13          1HD2      ASN  13  11.600  -0.838  -0.838
   93    H    CYS  14           H        CYS  14   8.166  -0.632  -0.632
   94    HA   CYS  14           HA       CYS  14   6.663   1.787   1.787
   95   1HB   CYS  14          1HB       CYS  14   6.431  -0.292  -0.292
   96   2HB   CYS  14          2HB       CYS  14   7.885   0.164   0.164
   97    H    GLY  15           H        GLY  15   8.119   3.316   3.316
   98   1HA   GLY  15          1HA       GLY  15  10.646   4.016   4.016
   99   2HA   GLY  15          2HA       GLY  15   9.450   5.183   5.183
  100    H    ASN  16           H        ASN  16   7.662   4.944   4.944
  101    HA   ASN  16           HA       ASN  16   9.178   5.596   5.596
  102   1HB   ASN  16          1HB       ASN  16   9.407   7.694   7.694
  103   2HB   ASN  16          2HB       ASN  16   7.656   7.925   7.925
  104   1HD2  ASN  16          2HD2      ASN  16   9.993   9.549   9.549
  105   2HD2  ASN  16          1HD2      ASN  16   9.688   9.676   9.676
  106    H    THR  17           H        THR  17   8.021   4.906   4.906
  107    HA   THR  17           HA       THR  17   5.389   3.960   3.960
  108    HB   THR  17           HB       THR  17   7.230   3.253   3.253
  109    HG1  THR  17           HG1      THR  17   5.659   2.824   2.824
  110   1HG2  THR  17          3HG2      THR  17   7.727   5.500   5.500
  111   2HG2  THR  17          1HG2      THR  17   6.155   5.440   5.440
  112   3HG2  THR  17          2HG2      THR  17   7.406   4.242   4.242
  113    H    ALA  18           H        ALA  18   6.637   7.112   7.112
  114    HA   ALA  18           HA       ALA  18   4.159   8.103   8.103
  115   1HB   ALA  18          1HB       ALA  18   6.398   9.058   9.058
  116   2HB   ALA  18          2HB       ALA  18   6.532   9.634   9.634
  117   3HB   ALA  18          3HB       ALA  18   5.267  10.278  10.278
  118    H    HIS  19           H        HIS  19   5.218   7.539   7.539
  119    HA   HIS  19           HA       HIS  19   3.103   9.295   9.295
  120   1HB   HIS  19          1HB       HIS  19   5.415   9.179   9.179
  121   2HB   HIS  19          2HB       HIS  19   5.076   7.519   7.519
  122    HD1  HIS  19           HD1      HIS  19   5.761   9.106   9.106
  123    HD2  HIS  19           HD2      HIS  19   1.865   9.258   9.258
  124    HE1  HIS  19           HE1      HIS  19   4.149   9.604   9.604
  125    H    CYS  20           H        CYS  20   4.156   5.852   5.852
  126    HA   CYS  20           HA       CYS  20   2.146   4.490   4.490
  127   1HB   CYS  20          1HB       CYS  20   3.945   3.302   3.302
  128   2HB   CYS  20          2HB       CYS  20   3.312   3.877   3.877
  129    H    ASP  21           H        ASP  21   2.039   5.657   5.657
  130    HA   ASP  21           HA       ASP  21  -0.555   4.732   4.732
  131   1HB   ASP  21          1HB       ASP  21   1.027   5.497   5.497
  132   2HB   ASP  21          2HB       ASP  21   1.090   7.120   7.120
  133    H    LYS  22           H        LYS  22   0.539   7.753   7.753
  134    HA   LYS  22           HA       LYS  22  -2.025   9.072   9.072
  135   1HB   LYS  22          1HB       LYS  22   0.197   9.463   9.463
  136   2HB   LYS  22          2HB       LYS  22  -1.220  10.476  10.476
  137   1HG   LYS  22          1HG       LYS  22  -0.487  10.708  10.708
  138   2HG   LYS  22          2HG       LYS  22   1.011   9.902   9.902
  139   1HD   LYS  22          1HD       LYS  22   1.483  11.766  11.766
  140   2HD   LYS  22          2HD       LYS  22  -0.089  12.481  12.481
  141   1HE   LYS  22          1HE       LYS  22   1.598  13.740  13.740
  142   2HE   LYS  22          2HE       LYS  22   0.594  12.852  12.852
  143   1HZ   LYS  22          1HZ       LYS  22   2.560  11.114  11.114
  144   2HZ   LYS  22          2HZ       LYS  22   3.398  12.555  12.555
  145    H    GLN  23           H        GLN  23  -0.271   6.965   6.965
  146    HA   GLN  23           HA       GLN  23  -2.557   6.960   6.960
  147   1HB   GLN  23          1HB       GLN  23  -0.260   5.044   5.044
  148   2HB   GLN  23          2HB       GLN  23  -1.465   5.538   5.538
  149   1HG   GLN  23          1HG       GLN  23  -0.575   7.954   7.954
  150   2HG   GLN  23          2HG       GLN  23   0.825   7.148   7.148
  151   1HE2  GLN  23          2HE2      GLN  23   0.156   4.925   4.925
  152   2HE2  GLN  23          1HE2      GLN  23   0.915   5.663   5.663
  153    H    CYS  24           H        CYS  24  -3.273   6.082   6.082
  154    HA   CYS  24           HA       CYS  24  -4.610   3.524   3.524
  155   1HB   CYS  24          1HB       CYS  24  -2.856   4.045   4.045
  156   2HB   CYS  24          2HB       CYS  24  -4.062   2.767   2.767
  157    H    GLN  25           H        GLN  25  -4.019   6.184   6.184
  158    HA   GLN  25           HA       GLN  25  -6.789   6.233   6.233
  159   1HB   GLN  25          1HB       GLN  25  -4.591   8.319   8.319
  160   2HB   GLN  25          2HB       GLN  25  -6.158   8.313   8.313
  161   1HG   GLN  25          1HG       GLN  25  -5.589   6.183   6.183
  162   2HG   GLN  25          2HG       GLN  25  -4.010   6.182   6.182
  163   1HE2  GLN  25          2HE2      GLN  25  -5.286   6.748   6.748
  164   2HE2  GLN  25          1HE2      GLN  25  -4.275   8.067   8.067
  165    H    ASP  26           H        ASP  26  -4.811   8.234   8.234
  166    HA   ASP  26           HA       ASP  26  -7.011  10.145  10.145
  167   1HB   ASP  26          1HB       ASP  26  -4.289   9.982   9.982
  168   2HB   ASP  26          2HB       ASP  26  -5.489  11.226  11.226
  169    H    TRP  27           H        TRP  27  -5.187   7.933   7.933
  170    HA   TRP  27           HA       TRP  27  -6.755   8.360   8.360
  171   1HB   TRP  27          1HB       TRP  27  -4.780   6.205   6.205
  172   2HB   TRP  27          2HB       TRP  27  -5.561   6.265   6.265
  173    HD1  TRP  27           HD1      TRP  27  -4.179   9.491   9.491
  174    HE1  TRP  27           HE1      TRP  27  -2.194  10.296  10.296
  175    HE3  TRP  27           HE3      TRP  27  -3.900   5.602   5.602
  176    HZ2  TRP  27           HZ2      TRP  27  -0.641   9.331   9.331
  177    HZ3  TRP  27           HZ3      TRP  27  -2.089   5.489   5.489
  178    HH2  TRP  27           HH2      TRP  27  -0.457   7.320   7.320
  179    H    GLU  28           H        GLU  28  -6.420   5.427   5.427
  180    HA   GLU  28           HA       GLU  28  -9.001   4.387   4.387
  181   1HB   GLU  28          1HB       GLU  28  -6.700   3.078   3.078
  182   2HB   GLU  28          2HB       GLU  28  -7.319   3.029   3.029
  183   1HG   GLU  28          1HG       GLU  28  -8.006   1.024   1.024
  184   2HG   GLU  28          2HG       GLU  28  -9.464   2.010   2.010
  185    H    LYS  29           H        LYS  29  -9.111   3.321   3.321
  186    HA   LYS  29           HA       LYS  29  -9.549   5.585   5.585
  187   1HB   LYS  29          1HB       LYS  29 -12.000   4.121   4.121
  188   2HB   LYS  29          2HB       LYS  29 -12.046   4.899   4.899
  189   1HG   LYS  29          1HG       LYS  29 -11.646   6.364   6.364
  190   2HG   LYS  29          2HG       LYS  29 -13.117   6.242   6.242
  191   1HD   LYS  29          1HD       LYS  29 -12.554   7.712   7.712
  192   2HD   LYS  29          2HD       LYS  29 -10.857   7.283   7.283
  193   1HE   LYS  29          1HE       LYS  29 -12.119   8.932   8.932
  194   2HE   LYS  29          2HE       LYS  29 -11.328   9.618   9.618
  195   1HZ   LYS  29          1HZ       LYS  29  -9.865   7.672   7.672
  196   2HZ   LYS  29          2HZ       LYS  29  -9.996   9.257   9.257
  197    H    ALA  30           H        ALA  30  -7.831   3.965   3.965
  198    HA   ALA  30           HA       ALA  30  -8.672   1.713   1.713
  199   1HB   ALA  30          1HB       ALA  30  -6.687   1.603   1.603
  200   2HB   ALA  30          2HB       ALA  30  -5.932   2.875   2.875
  201   3HB   ALA  30          3HB       ALA  30  -6.275   1.286   1.286
  202    H    SER  31           H        SER  31  -7.743   1.726   1.726
  203    HA   SER  31           HA       SER  31  -8.170   4.211   4.211
  204   1HB   SER  31          1HB       SER  31  -6.979   1.532   1.532
  205   2HB   SER  31          2HB       SER  31  -7.274   2.838   2.838
  206    HG   SER  31           HG       SER  31  -9.530   2.547   2.547
  207    H    HIS  32           H        HIS  32  -5.360   2.253   2.253
  208    HA   HIS  32           HA       HIS  32  -3.837   4.651   4.651
  209   1HB   HIS  32          1HB       HIS  32  -2.141   4.411   4.411
  210   2HB   HIS  32          2HB       HIS  32  -3.535   3.965   3.965
  211    HD1  HIS  32           HD1      HIS  32  -0.125   2.847   2.847
  212    HD2  HIS  32           HD2      HIS  32  -3.800   1.096   1.096
  213    HE1  HIS  32           HE1      HIS  32   0.371   0.460   0.460
  214    H    GLY  33           H        GLY  33  -1.489   4.014   4.014
  215   1HA   GLY  33          1HA       GLY  33  -1.328   1.313   1.313
  216   2HA   GLY  33          2HA       GLY  33  -0.810   2.617   2.617
  217    H    ALA  34           H        ALA  34   0.981   0.701   0.701
  218    HA   ALA  34           HA       ALA  34   3.118   2.143   2.143
  219   1HB   ALA  34          1HB       ALA  34   2.052  -0.363  -0.363
  220   2HB   ALA  34          2HB       ALA  34   3.643   0.350   0.350
  221   3HB   ALA  34          3HB       ALA  34   2.173   1.265   1.265
  222    H    CYS  35           H        CYS  35   5.170   1.367   1.367
  223    HA   CYS  35           HA       CYS  35   5.201  -0.396  -0.396
  224   1HB   CYS  35          1HB       CYS  35   7.379   0.761   0.761
  225   2HB   CYS  35          2HB       CYS  35   7.677  -0.211  -0.211
  226    H    HIS  36           H        HIS  36   5.829  -2.662  -2.662
  227    HA   HIS  36           HA       HIS  36   7.306  -3.741  -3.741
  228   1HB   HIS  36          1HB       HIS  36   5.210  -5.419  -5.419
  229   2HB   HIS  36          2HB       HIS  36   6.118  -5.744  -5.744
  230    HD1  HIS  36           HD1      HIS  36   5.407  -2.889  -2.889
  231    HD2  HIS  36           HD2      HIS  36   2.847  -5.533  -5.533
  232    HE1  HIS  36           HE1      HIS  36   3.099  -2.595  -2.595
  233    H    LYS  37           H        LYS  37   8.802  -5.360  -5.360
  234    HA   LYS  37           HA       LYS  37   9.203  -5.826  -5.826
  235   1HB   LYS  37          1HB       LYS  37  11.086  -5.386  -5.386
  236   2HB   LYS  37          2HB       LYS  37  10.794  -6.883  -6.883
  237   1HG   LYS  37          1HG       LYS  37  10.922  -7.883  -7.883
  238   2HG   LYS  37          2HG       LYS  37  11.621  -6.366  -6.366
  239   1HD   LYS  37          1HD       LYS  37  12.846  -7.795  -7.795
  240   2HD   LYS  37          2HD       LYS  37  13.034  -8.562  -8.562
  241   1HE   LYS  37          1HE       LYS  37  13.852  -6.145  -6.145
  242   2HE   LYS  37          2HE       LYS  37  14.135  -5.929  -5.929
  243   1HZ   LYS  37          1HZ       LYS  37  15.124  -8.401  -8.401
  244   2HZ   LYS  37          2HZ       LYS  37  15.813  -7.045  -7.045
  245    H    ARG  38           H        ARG  38   8.427  -7.537  -7.537
  246    HA   ARG  38           HA       ARG  38   7.839 -10.058 -10.058
  247   1HB   ARG  38          1HB       ARG  38   5.849  -8.080  -8.080
  248   2HB   ARG  38          2HB       ARG  38   5.617  -9.585  -9.585
  249   1HG   ARG  38          1HG       ARG  38   5.891  -9.471  -9.471
  250   2HG   ARG  38          2HG       ARG  38   4.337  -9.338  -9.338
  251   1HD   ARG  38          1HD       ARG  38   4.665 -11.501 -11.501
  252   2HD   ARG  38          2HD       ARG  38   6.252 -11.689 -11.689
  253   1HH1  ARG  38          1HH2      ARG  38   5.289 -13.682 -13.682
  254   2HH1  ARG  38          2HH2      ARG  38   4.716 -15.054 -15.054
  255   1HH2  ARG  38          1HH1      ARG  38   3.501 -13.116 -13.116
  256   2HH2  ARG  38          2HH1      ARG  38   3.675 -14.721 -14.721
  257    H    GLU  39           H        GLU  39   8.460 -11.755 -11.755
  258    HA   GLU  39           HA       GLU  39   9.799 -12.708 -12.708
  259   1HB   GLU  39          1HB       GLU  39   7.730 -11.511 -11.511
  260   2HB   GLU  39          2HB       GLU  39   8.899 -12.779 -12.779
  261   1HG   GLU  39          1HG       GLU  39   6.939 -13.962 -13.962
  262   2HG   GLU  39          2HG       GLU  39   7.904 -14.177 -14.177
  263    H    ASN  40           H        ASN  40  10.927 -10.470 -10.470
  264    HA   ASN  40           HA       ASN  40  12.433  -8.890  -8.890
  265   1HB   ASN  40          1HB       ASN  40  13.390 -10.941 -10.941
  266   2HB   ASN  40          2HB       ASN  40  12.987 -10.050 -10.050
  267   1HD2  ASN  40          2HD2      ASN  40  15.147  -9.556  -9.556
  268   2HD2  ASN  40          1HD2      ASN  40  16.263  -8.600  -8.600
  269    H    HIS  41           H        HIS  41   9.676  -8.357  -8.357
  270    HA   HIS  41           HA       HIS  41  10.519  -5.985  -5.985
  271   1HB   HIS  41          1HB       HIS  41   8.032  -7.684  -7.684
  272   2HB   HIS  41          2HB       HIS  41   8.193  -6.152  -6.152
  273    HD1  HIS  41           HD1      HIS  41  10.568  -6.141  -6.141
  274    HD2  HIS  41           HD2      HIS  41   8.888  -9.834  -9.834
  275    HE1  HIS  41           HE1      HIS  41  11.582  -7.943  -7.943
  276    H    TRP  42           H        TRP  42  10.132  -4.056  -4.056
  277    HA   TRP  42           HA       TRP  42   8.722  -4.083  -4.083
  278   1HB   TRP  42          1HB       TRP  42  10.332  -2.047  -2.047
  279   2HB   TRP  42          2HB       TRP  42   9.283  -1.609  -1.609
  280    HD1  TRP  42           HD1      TRP  42  12.394  -3.674  -3.674
  281    HE1  TRP  42           HE1      TRP  42  13.643  -4.024  -4.024
  282    HE3  TRP  42           HE3      TRP  42   8.816  -2.040  -2.040
  283    HZ2  TRP  42           HZ2      TRP  42  13.050  -3.843  -3.843
  284    HZ3  TRP  42           HZ3      TRP  42   9.184  -2.056  -2.056
  285    HH2  TRP  42           HH2      TRP  42  11.273  -3.008  -3.008
  286    H    LYS  43           H        LYS  43   6.489  -4.341  -4.341
  287    HA   LYS  43           HA       LYS  43   5.179  -2.797  -2.797
  288   1HB   LYS  43          1HB       LYS  43   3.634  -4.528  -4.528
  289   2HB   LYS  43          2HB       LYS  43   3.362  -4.194  -4.194
  290   1HG   LYS  43          1HG       LYS  43   5.450  -5.933  -5.933
  291   2HG   LYS  43          2HG       LYS  43   4.164  -6.542  -6.542
  292   1HD   LYS  43          1HD       LYS  43   6.415  -4.938  -4.938
  293   2HD   LYS  43          2HD       LYS  43   6.145  -6.674  -6.674
  294   1HE   LYS  43          1HE       LYS  43   5.437  -5.941  -5.941
  295   2HE   LYS  43          2HE       LYS  43   3.959  -6.318  -6.318
  296   1HZ   LYS  43          1HZ       LYS  43   4.682  -3.980  -3.980
  297   2HZ   LYS  43          2HZ       LYS  43   3.272  -4.284  -4.284
  298    H    CYS  44           H        CYS  44   3.831  -1.101  -1.101
  299    HA   CYS  44           HA       CYS  44   3.501  -0.105  -0.105
  300   1HB   CYS  44          1HB       CYS  44   3.543   1.545   1.545
  301   2HB   CYS  44          2HB       CYS  44   2.422   0.636   0.636
  302    H    PHE  45           H        PHE  45   2.144  -1.288  -1.288
  303    HA   PHE  45           HA       PHE  45  -0.146  -2.753  -2.753
  304   1HB   PHE  45          1HB       PHE  45   1.361  -2.948  -2.948
  305   2HB   PHE  45          2HB       PHE  45  -0.280  -3.537  -3.537
  306    HD1  PHE  45           HD2      PHE  45   3.070  -3.959  -3.959
  307    HD2  PHE  45           HD1      PHE  45  -0.819  -5.643  -5.643
  308    HE1  PHE  45           HE2      PHE  45   3.905  -6.201  -6.201
  309    HE2  PHE  45           HE1      PHE  45  -0.015  -7.857  -7.857
  310    HZ   PHE  45           HZ       PHE  45   2.344  -8.139  -8.139
  311    H    CYS  46           H        CYS  46  -2.233  -2.309  -2.309
  312    HA   CYS  46           HA       CYS  46  -2.720   0.213   0.213
  313   1HB   CYS  46          1HB       CYS  46  -4.366  -1.150  -1.150
  314   2HB   CYS  46          2HB       CYS  46  -4.814   0.299   0.299
  315    H    TYR  47           H        TYR  47  -4.456   0.148   0.148
  316    HA   TYR  47           HA       TYR  47  -5.224  -2.567  -2.567
  317   1HB   TYR  47          1HB       TYR  47  -4.068  -0.076  -0.076
  318   2HB   TYR  47          2HB       TYR  47  -4.807  -1.328  -1.328
  319    HD1  TYR  47           HD2      TYR  47  -1.941  -0.621  -0.621
  320    HD2  TYR  47           HD1      TYR  47  -3.662  -3.339  -3.339
  321    HE1  TYR  47           HE2      TYR  47   0.279  -1.645  -1.645
  322    HE2  TYR  47           HE1      TYR  47  -1.424  -4.269  -4.269
  323    HH   TYR  47           HH       TYR  47   0.796  -4.038  -4.038
  324    H    PHE  48           H        PHE  48  -7.549  -2.579  -2.579
  325    HA   PHE  48           HA       PHE  48  -8.854   0.103   0.103
  326   1HB   PHE  48          1HB       PHE  48  -9.537  -2.728  -2.728
  327   2HB   PHE  48          2HB       PHE  48 -10.657  -1.427  -1.427
  328    HD1  PHE  48           HD2      PHE  48  -7.366  -2.764  -2.764
  329    HD2  PHE  48           HD1      PHE  48 -10.479   0.156   0.156
  330    HE1  PHE  48           HE2      PHE  48  -6.342  -2.208  -2.208
  331    HE2  PHE  48           HE1      PHE  48  -9.466   0.663   0.663
  332    HZ   PHE  48           HZ       PHE  48  -7.351  -0.478  -0.478
  333    H    ASN  49           H        ASN  49 -11.141  -0.040  -0.040
  334    HA   ASN  49           HA       ASN  49 -12.327   0.107   0.107
  335   1HB   ASN  49          1HB       ASN  49 -13.840  -1.618  -1.618
  336   2HB   ASN  49          2HB       ASN  49 -13.306  -1.605  -1.605
  337   1HD2  ASN  49          1HD2      ASN  49 -11.137  -3.106  -3.106
  338   2HD2  ASN  49          2HD2      ASN  49 -11.200  -4.574  -4.574
  339    H    CYS  50           H        CYS  50  -9.838   0.307   0.307
  340    HA   CYS  50           HA       CYS  50  -9.437  -1.626  -1.626
  341   1HB   CYS  50          1HB       CYS  50  -7.706  -1.419  -1.419
  342   2HB   CYS  50          2HB       CYS  50  -7.546   0.257   0.257

  Start of MODEL    5
    1   1H    LEU   1          2H        LEU   1 -11.592  -3.320  -3.320
    2   2H    LEU   1          3H        LEU   1 -12.149  -4.810  -4.810
    3   3H    LEU   1          1H        LEU   1 -12.279  -4.410  -4.410
    4    HA   LEU   1           HA       LEU   1  -9.899  -4.328  -4.328
    5   1HB   LEU   1          1HB       LEU   1  -9.473  -6.705  -6.705
    6   2HB   LEU   1          2HB       LEU   1 -11.104  -6.375  -6.375
    7    HG   LEU   1           HG       LEU   1 -11.688  -6.833  -6.833
    8   1HD1  LEU   1          1HD1      LEU   1  -9.295  -7.311  -7.311
    9   2HD1  LEU   1          2HD1      LEU   1  -9.260  -8.604  -8.604
   10   3HD1  LEU   1          3HD1      LEU   1 -10.340  -8.723  -8.723
   11   1HD2  LEU   1          1HD2      LEU   1 -11.221  -8.974  -8.974
   12   2HD2  LEU   1          2HD2      LEU   1 -12.689  -7.990  -7.990
   13   3HD2  LEU   1          3HD2      LEU   1 -12.231  -9.147  -9.147
   14    H    CYS   2           H        CYS   2  -7.774  -4.379  -4.379
   15    HA   CYS   2           HA       CYS   2  -8.105  -3.151  -3.151
   16   1HB   CYS   2          1HB       CYS   2  -5.415  -4.095  -4.095
   17   2HB   CYS   2          2HB       CYS   2  -5.912  -2.698  -2.698
   18    H    ASN   3           H        ASN   3  -8.822  -4.177  -4.177
   19    HA   ASN   3           HA       ASN   3  -7.740  -6.823  -6.823
   20   1HB   ASN   3          1HB       ASN   3  -9.449  -5.058  -5.058
   21   2HB   ASN   3          2HB       ASN   3  -9.111  -6.778  -6.778
   22   1HD2  ASN   3          2HD2      ASN   3  -9.555  -7.442  -7.442
   23   2HD2  ASN   3          1HD2      ASN   3 -11.286  -7.291  -7.291
   24    H    GLU   4           H        GLU   4  -5.597  -6.735  -6.735
   25    HA   GLU   4           HA       GLU   4  -4.363  -4.507  -4.507
   26   1HB   GLU   4          1HB       GLU   4  -3.150  -5.695  -5.695
   27   2HB   GLU   4          2HB       GLU   4  -3.461  -7.261  -7.261
   28   1HG   GLU   4          1HG       GLU   4  -2.120  -6.736  -6.736
   29   2HG   GLU   4          2HG       GLU   4  -1.868  -5.039  -5.039
   30    H    ARG   5           H        ARG   5  -3.990  -4.318  -4.318
   31    HA   ARG   5           HA       ARG   5  -4.462  -6.595  -6.595
   32   1HB   ARG   5          1HB       ARG   5  -6.158  -4.327  -4.327
   33   2HB   ARG   5          2HB       ARG   5  -5.107  -3.992  -3.992
   34   1HG   ARG   5          1HG       ARG   5  -5.685  -6.225  -6.225
   35   2HG   ARG   5          2HG       ARG   5  -6.804  -6.462  -6.462
   36   1HD   ARG   5          1HD       ARG   5  -6.847  -4.348  -4.348
   37   2HD   ARG   5          2HD       ARG   5  -7.918  -5.745  -5.745
   38   1HH1  ARG   5          1HH2      ARG   5  -7.922  -2.767  -2.767
   39   2HH1  ARG   5          2HH2      ARG   5  -8.748  -1.363  -1.363
   40   1HH2  ARG   5          1HH1      ARG   5 -10.056  -2.958  -2.958
   41   2HH2  ARG   5          2HH1      ARG   5 -10.092  -1.537  -1.537
   42    HA   PRO   6           HA       PRO   6  -0.528  -5.001  -5.001
   43   1HB   PRO   6          1HB       PRO   6   0.074  -6.314  -6.314
   44   2HB   PRO   6          2HB       PRO   6  -0.016  -7.134  -7.134
   45   1HG   PRO   6          1HG       PRO   6  -2.188  -6.915  -6.915
   46   2HG   PRO   6          2HG       PRO   6  -1.627  -8.390  -8.390
   47   1HD   PRO   6          1HD       PRO   6  -3.809  -6.967  -6.967
   48   2HD   PRO   6          2HD       PRO   6  -2.780  -7.764  -7.764
   49    H    SER   7           H        SER   7   0.658  -4.093  -4.093
   50    HA   SER   7           HA       SER   7  -0.081  -1.601  -1.601
   51   1HB   SER   7          1HB       SER   7   0.965  -2.295  -2.295
   52   2HB   SER   7          2HB       SER   7   1.935  -2.049  -2.049
   53    HG   SER   7           HG       SER   7   0.829  -4.533  -4.533
   54    H    GLN   8           H        GLN   8  -1.958  -0.755  -0.755
   55    HA   GLN   8           HA       GLN   8  -3.677  -1.941  -1.941
   56   1HB   GLN   8          1HB       GLN   8  -4.000   0.431   0.431
   57   2HB   GLN   8          2HB       GLN   8  -5.231  -0.172  -0.172
   58   1HG   GLN   8          1HG       GLN   8  -4.009  -1.679  -1.679
   59   2HG   GLN   8          2HG       GLN   8  -5.583  -0.914  -0.914
   60   1HE2  GLN   8          2HE2      GLN   8  -3.745  -3.736  -3.736
   61   2HE2  GLN   8          1HE2      GLN   8  -5.082  -4.601  -4.601
   62    H    THR   9           H        THR   9  -3.328   1.552   1.552
   63    HA   THR   9           HA       THR   9  -2.913   2.005   2.005
   64    HB   THR   9           HB       THR   9  -2.774   4.386   4.386
   65    HG1  THR   9           HG1      THR   9  -3.270   4.671   4.671
   66   1HG2  THR   9          3HG2      THR   9  -5.140   2.692   2.692
   67   2HG2  THR   9          1HG2      THR   9  -5.167   4.444   4.444
   68   3HG2  THR   9          2HG2      THR   9  -4.929   3.445   3.445
   69    H    TRP  10           H        TRP  10  -0.904   1.754   1.754
   70    HA   TRP  10           HA       TRP  10   1.452   2.856   2.856
   71   1HB   TRP  10          1HB       TRP  10   0.996   2.701   2.701
   72   2HB   TRP  10          2HB       TRP  10   1.407   0.994   0.994
   73    HD1  TRP  10           HD1      TRP  10   4.005   0.988   0.988
   74    HE1  TRP  10           HE1      TRP  10   6.114   2.365   2.365
   75    HE3  TRP  10           HE3      TRP  10   2.090   4.184   4.184
   76    HZ2  TRP  10           HZ2      TRP  10   6.749   4.786   4.786
   77    HZ3  TRP  10           HZ3      TRP  10   3.439   6.131   6.131
   78    HH2  TRP  10           HH2      TRP  10   5.735   6.401   6.401
   79    H    SER  11           H        SER  11   0.730   1.385   1.385
   80    HA   SER  11           HA       SER  11   1.052  -1.425  -1.425
   81   1HB   SER  11          1HB       SER  11   0.885   0.065   0.065
   82   2HB   SER  11          2HB       SER  11   0.269  -1.551  -1.551
   83    HG   SER  11           HG       SER  11  -1.191  -0.395  -0.395
   84    H    GLY  12           H        GLY  12   3.356  -0.973  -0.973
   85   1HA   GLY  12          1HA       GLY  12   5.248  -2.158  -2.158
   86   2HA   GLY  12          2HA       GLY  12   5.547  -0.415  -0.415
   87    H    ASN  13           H        ASN  13   7.341  -0.315  -0.315
   88    HA   ASN  13           HA       ASN  13   7.404  -1.830  -1.830
   89   1HB   ASN  13          1HB       ASN  13   9.286  -2.197  -2.197
   90   2HB   ASN  13          2HB       ASN  13   9.716  -0.488  -0.488
   91   1HD2  ASN  13          2HD2      ASN  13  10.335   0.306   0.306
   92   2HD2  ASN  13          1HD2      ASN  13  11.116  -0.895  -0.895
   93    H    CYS  14           H        CYS  14   7.807  -0.676  -0.676
   94    HA   CYS  14           HA       CYS  14   6.695   1.852   1.852
   95   1HB   CYS  14          1HB       CYS  14   7.039   0.063   0.063
   96   2HB   CYS  14          2HB       CYS  14   8.794   0.313   0.313
   97    H    GLY  15           H        GLY  15   7.706   3.750   3.750
   98   1HA   GLY  15          1HA       GLY  15  10.522   4.326   4.326
   99   2HA   GLY  15          2HA       GLY  15   9.208   5.455   5.455
  100    H    ASN  16           H        ASN  16   7.670   5.438   5.438
  101    HA   ASN  16           HA       ASN  16   9.311   5.681   5.681
  102   1HB   ASN  16          1HB       ASN  16   9.393   7.922   7.922
  103   2HB   ASN  16          2HB       ASN  16   7.641   8.064   8.064
  104   1HD2  ASN  16          2HD2      ASN  16   9.830   9.753   9.753
  105   2HD2  ASN  16          1HD2      ASN  16   9.654   9.632   9.632
  106    H    THR  17           H        THR  17   8.228   4.827   4.827
  107    HA   THR  17           HA       THR  17   5.605   3.784   3.784
  108    HB   THR  17           HB       THR  17   7.455   2.854   2.854
  109    HG1  THR  17           HG1      THR  17   5.969   2.283   2.283
  110   1HG2  THR  17          3HG2      THR  17   8.102   4.956   4.956
  111   2HG2  THR  17          1HG2      THR  17   6.575   4.861   4.861
  112   3HG2  THR  17          2HG2      THR  17   7.795   3.585   3.585
  113    H    ALA  18           H        ALA  18   6.812   6.860   6.860
  114    HA   ALA  18           HA       ALA  18   4.403   7.707   7.707
  115   1HB   ALA  18          1HB       ALA  18   6.567   8.892   8.892
  116   2HB   ALA  18          2HB       ALA  18   6.477   9.372   9.372
  117   3HB   ALA  18          3HB       ALA  18   5.273   9.972   9.972
  118    H    HIS  19           H        HIS  19   5.558   7.976   7.976
  119    HA   HIS  19           HA       HIS  19   3.140   9.263   9.263
  120   1HB   HIS  19          1HB       HIS  19   5.181   9.432   9.432
  121   2HB   HIS  19          2HB       HIS  19   5.165   7.695   7.695
  122    HD1  HIS  19           HD1      HIS  19   5.052   8.309   8.309
  123    HD2  HIS  19           HD2      HIS  19   1.710   9.434   9.434
  124    HE1  HIS  19           HE1      HIS  19   3.041   8.412   8.412
  125    H    CYS  20           H        CYS  20   4.243   5.804   5.804
  126    HA   CYS  20           HA       CYS  20   2.041   4.626   4.626
  127   1HB   CYS  20          1HB       CYS  20   3.920   3.293   3.293
  128   2HB   CYS  20          2HB       CYS  20   3.447   3.643   3.643
  129    H    ASP  21           H        ASP  21   2.321   5.614   5.614
  130    HA   ASP  21           HA       ASP  21  -0.244   4.724   4.724
  131   1HB   ASP  21          1HB       ASP  21   1.624   5.302   5.302
  132   2HB   ASP  21          2HB       ASP  21   1.399   7.021   7.021
  133    H    LYS  22           H        LYS  22   0.859   7.972   7.972
  134    HA   LYS  22           HA       LYS  22  -1.672   9.257   9.257
  135   1HB   LYS  22          1HB       LYS  22   0.453   9.603   9.603
  136   2HB   LYS  22          2HB       LYS  22  -0.981  10.590  10.590
  137   1HG   LYS  22          1HG       LYS  22  -0.073  10.951  10.951
  138   2HG   LYS  22          2HG       LYS  22   1.366  10.230  10.230
  139   1HD   LYS  22          1HD       LYS  22   1.821  12.501  12.501
  140   2HD   LYS  22          2HD       LYS  22   1.094  12.070  12.070
  141   1HE   LYS  22          1HE       LYS  22  -0.118  13.596  13.596
  142   2HE   LYS  22          2HE       LYS  22   0.171  14.189  14.189
  143   1HZ   LYS  22          1HZ       LYS  22  -1.551  11.992  11.992
  144   2HZ   LYS  22          2HZ       LYS  22  -2.126  13.030  13.030
  145    H    GLN  23           H        GLN  23  -0.136   7.333   7.333
  146    HA   GLN  23           HA       GLN  23  -1.757   7.957   7.957
  147   1HB   GLN  23          1HB       GLN  23   0.521   7.037   7.037
  148   2HB   GLN  23          2HB       GLN  23   0.008   5.588   5.588
  149   1HG   GLN  23          1HG       GLN  23   0.305   4.905   4.905
  150   2HG   GLN  23          2HG       GLN  23  -1.443   4.984   4.984
  151   1HE2  GLN  23          2HE2      GLN  23  -0.991   4.909   4.909
  152   2HE2  GLN  23          1HE2      GLN  23  -0.783   6.467   6.467
  153    H    CYS  24           H        CYS  24  -1.785   5.109   5.109
  154    HA   CYS  24           HA       CYS  24  -4.097   3.810   3.810
  155   1HB   CYS  24          1HB       CYS  24  -2.859   3.882   3.882
  156   2HB   CYS  24          2HB       CYS  24  -4.086   2.726   2.726
  157    H    GLN  25           H        GLN  25  -3.855   6.557   6.557
  158    HA   GLN  25           HA       GLN  25  -6.686   6.307   6.307
  159   1HB   GLN  25          1HB       GLN  25  -4.540   8.354   8.354
  160   2HB   GLN  25          2HB       GLN  25  -6.210   8.396   8.396
  161   1HG   GLN  25          1HG       GLN  25  -5.925   6.216   6.216
  162   2HG   GLN  25          2HG       GLN  25  -4.299   6.064   6.064
  163   1HE2  GLN  25          2HE2      GLN  25  -6.070   8.719   8.719
  164   2HE2  GLN  25          1HE2      GLN  25  -4.827   8.937   8.937
  165    H    ASP  26           H        ASP  26  -4.643   8.097   8.097
  166    HA   ASP  26           HA       ASP  26  -6.562  10.246  10.246
  167   1HB   ASP  26          1HB       ASP  26  -3.815   9.616   9.616
  168   2HB   ASP  26          2HB       ASP  26  -4.782  11.014  11.014
  169    H    TRP  27           H        TRP  27  -4.942   7.717   7.717
  170    HA   TRP  27           HA       TRP  27  -6.576   8.298   8.298
  171   1HB   TRP  27          1HB       TRP  27  -4.499   6.127   6.127
  172   2HB   TRP  27          2HB       TRP  27  -5.405   6.236   6.236
  173    HD1  TRP  27           HD1      TRP  27  -3.454   8.947   8.947
  174    HE1  TRP  27           HE1      TRP  27  -1.761  10.051  10.051
  175    HE3  TRP  27           HE3      TRP  27  -4.444   6.234   6.234
  176    HZ2  TRP  27           HZ2      TRP  27  -0.832   9.650   9.650
  177    HZ3  TRP  27           HZ3      TRP  27  -3.078   6.520   6.520
  178    HH2  TRP  27           HH2      TRP  27  -1.256   8.186   8.186
  179    H    GLU  28           H        GLU  28  -5.974   5.456   5.456
  180    HA   GLU  28           HA       GLU  28  -8.677   4.301   4.301
  181   1HB   GLU  28          1HB       GLU  28  -6.067   3.551   3.551
  182   2HB   GLU  28          2HB       GLU  28  -7.485   2.748   2.748
  183   1HG   GLU  28          1HG       GLU  28  -6.671   2.779   2.779
  184   2HG   GLU  28          2HG       GLU  28  -6.197   1.535   1.535
  185    H    LYS  29           H        LYS  29  -8.871   3.627   3.627
  186    HA   LYS  29           HA       LYS  29  -8.969   5.952   5.952
  187   1HB   LYS  29          1HB       LYS  29 -11.605   4.870   4.870
  188   2HB   LYS  29          2HB       LYS  29 -11.500   5.738   5.738
  189   1HG   LYS  29          1HG       LYS  29 -11.912   7.580   7.580
  190   2HG   LYS  29          2HG       LYS  29 -10.212   7.538   7.538
  191   1HD   LYS  29          1HD       LYS  29 -11.103   6.060   6.060
  192   2HD   LYS  29          2HD       LYS  29 -12.677   6.692   6.692
  193   1HE   LYS  29          1HE       LYS  29 -11.936   8.226   8.226
  194   2HE   LYS  29          2HE       LYS  29 -11.602   9.051   9.051
  195   1HZ   LYS  29          1HZ       LYS  29  -9.581   7.385   7.385
  196   2HZ   LYS  29          2HZ       LYS  29  -9.804   9.003   9.003
  197    H    ALA  30           H        ALA  30  -7.536   4.029   4.029
  198    HA   ALA  30           HA       ALA  30  -8.626   1.810   1.810
  199   1HB   ALA  30          1HB       ALA  30  -6.471   1.810   1.810
  200   2HB   ALA  30          2HB       ALA  30  -5.807   2.951   2.951
  201   3HB   ALA  30          3HB       ALA  30  -6.256   1.307   1.307
  202    H    SER  31           H        SER  31  -7.927   1.597   1.597
  203    HA   SER  31           HA       SER  31  -8.428   3.877   3.877
  204   1HB   SER  31          1HB       SER  31  -6.980   1.272   1.272
  205   2HB   SER  31          2HB       SER  31  -7.645   2.381   2.381
  206    HG   SER  31           HG       SER  31  -9.724   1.996   1.996
  207    H    HIS  32           H        HIS  32  -5.525   2.190   2.190
  208    HA   HIS  32           HA       HIS  32  -4.116   4.628   4.628
  209   1HB   HIS  32          1HB       HIS  32  -2.692   4.663   4.663
  210   2HB   HIS  32          2HB       HIS  32  -4.020   3.925   3.925
  211    HD1  HIS  32           HD1      HIS  32  -0.441   3.355   3.355
  212    HD2  HIS  32           HD2      HIS  32  -3.925   1.117   1.117
  213    HE1  HIS  32           HE1      HIS  32   0.282   0.955   0.955
  214    H    GLY  33           H        GLY  33  -1.465   3.833   3.833
  215   1HA   GLY  33          1HA       GLY  33  -1.339   1.323   1.323
  216   2HA   GLY  33          2HA       GLY  33  -0.783   2.730   2.730
  217    H    ALA  34           H        ALA  34   0.927   0.626   0.626
  218    HA   ALA  34           HA       ALA  34   3.135   1.901   1.901
  219   1HB   ALA  34          1HB       ALA  34   1.873  -0.518  -0.518
  220   2HB   ALA  34          2HB       ALA  34   3.540   0.013   0.013
  221   3HB   ALA  34          3HB       ALA  34   2.189   1.077   1.077
  222    H    CYS  35           H        CYS  35   5.066   1.128   1.128
  223    HA   CYS  35           HA       CYS  35   4.754  -0.787  -0.787
  224   1HB   CYS  35          1HB       CYS  35   7.105   0.789   0.789
  225   2HB   CYS  35          2HB       CYS  35   7.204  -0.372  -0.372
  226    H    HIS  36           H        HIS  36   5.706  -2.886  -2.886
  227    HA   HIS  36           HA       HIS  36   7.319  -3.903  -3.903
  228   1HB   HIS  36          1HB       HIS  36   5.218  -5.689  -5.689
  229   2HB   HIS  36          2HB       HIS  36   6.161  -5.866  -5.866
  230    HD1  HIS  36           HD1      HIS  36   5.390  -3.028  -3.028
  231    HD2  HIS  36           HD2      HIS  36   2.842  -5.671  -5.671
  232    HE1  HIS  36           HE1      HIS  36   3.056  -2.710  -2.710
  233    H    LYS  37           H        LYS  37   8.827  -5.472  -5.472
  234    HA   LYS  37           HA       LYS  37   9.120  -5.949  -5.949
  235   1HB   LYS  37          1HB       LYS  37  11.016  -5.443  -5.443
  236   2HB   LYS  37          2HB       LYS  37  10.812  -6.960  -6.960
  237   1HG   LYS  37          1HG       LYS  37  10.919  -7.916  -7.916
  238   2HG   LYS  37          2HG       LYS  37  11.546  -6.364  -6.364
  239   1HD   LYS  37          1HD       LYS  37  12.879  -7.831  -7.831
  240   2HD   LYS  37          2HD       LYS  37  13.060  -8.516  -8.516
  241   1HE   LYS  37          1HE       LYS  37  13.759  -6.017  -6.017
  242   2HE   LYS  37          2HE       LYS  37  14.092  -5.905  -5.905
  243   1HZ   LYS  37          1HZ       LYS  37  15.148  -8.266  -8.266
  244   2HZ   LYS  37          2HZ       LYS  37  15.729  -6.863  -6.863
  245    H    ARG  38           H        ARG  38   8.386  -7.655  -7.655
  246    HA   ARG  38           HA       ARG  38   8.272 -10.288 -10.288
  247   1HB   ARG  38          1HB       ARG  38   5.946  -8.955  -8.955
  248   2HB   ARG  38          2HB       ARG  38   6.054 -10.704 -10.704
  249   1HG   ARG  38          1HG       ARG  38   5.894  -8.648  -8.648
  250   2HG   ARG  38          2HG       ARG  38   4.559  -9.620  -9.620
  251   1HD   ARG  38          1HD       ARG  38   5.706 -11.705 -11.705
  252   2HD   ARG  38          2HD       ARG  38   7.066 -10.824 -10.824
  253   1HH1  ARG  38          1HH1      ARG  38   7.306  -9.156  -9.156
  254   2HH1  ARG  38          2HH1      ARG  38   7.238  -8.922  -8.922
  255   1HH2  ARG  38          1HH2      ARG  38   4.272 -10.849 -10.849
  256   2HH2  ARG  38          2HH2      ARG  38   5.423  -9.834  -9.834
  257    H    GLU  39           H        GLU  39   8.811 -11.913 -11.913
  258    HA   GLU  39           HA       GLU  39  10.316 -12.607 -12.607
  259   1HB   GLU  39          1HB       GLU  39   7.996 -11.516 -11.516
  260   2HB   GLU  39          2HB       GLU  39   9.245 -12.628 -12.628
  261   1HG   GLU  39          1HG       GLU  39   7.409 -14.001 -14.001
  262   2HG   GLU  39          2HG       GLU  39   8.597 -14.248 -14.248
  263    H    ASN  40           H        ASN  40  11.327 -10.358 -10.358
  264    HA   ASN  40           HA       ASN  40  12.702  -8.657  -8.657
  265   1HB   ASN  40          1HB       ASN  40  13.719 -10.586 -10.586
  266   2HB   ASN  40          2HB       ASN  40  13.210  -9.629  -9.629
  267   1HD2  ASN  40          2HD2      ASN  40  15.319  -8.957  -8.957
  268   2HD2  ASN  40          1HD2      ASN  40  16.408  -7.999  -7.999
  269    H    HIS  41           H        HIS  41   9.873  -8.265  -8.265
  270    HA   HIS  41           HA       HIS  41  10.446  -5.761  -5.761
  271   1HB   HIS  41          1HB       HIS  41   8.066  -7.616  -7.616
  272   2HB   HIS  41          2HB       HIS  41   8.090  -6.038  -6.038
  273    HD1  HIS  41           HD1      HIS  41  10.361  -5.789  -5.789
  274    HD2  HIS  41           HD2      HIS  41   8.986  -9.639  -9.639
  275    HE1  HIS  41           HE1      HIS  41  11.402  -7.438  -7.438
  276    H    TRP  42           H        TRP  42  10.085  -3.977  -3.977
  277    HA   TRP  42           HA       TRP  42   8.617  -4.153  -4.153
  278   1HB   TRP  42          1HB       TRP  42  10.150  -1.968  -1.968
  279   2HB   TRP  42          2HB       TRP  42   9.082  -1.697  -1.697
  280    HD1  TRP  42           HD1      TRP  42  12.276  -3.582  -3.582
  281    HE1  TRP  42           HE1      TRP  42  13.586  -3.965  -3.965
  282    HE3  TRP  42           HE3      TRP  42   8.729  -2.093  -2.093
  283    HZ2  TRP  42           HZ2      TRP  42  12.992  -3.982  -3.982
  284    HZ3  TRP  42           HZ3      TRP  42   9.146  -2.177  -2.177
  285    HH2  TRP  42           HH2      TRP  42  11.248  -3.205  -3.205
  286    H    LYS  43           H        LYS  43   6.405  -4.383  -4.383
  287    HA   LYS  43           HA       LYS  43   5.143  -2.827  -2.827
  288   1HB   LYS  43          1HB       LYS  43   3.552  -4.535  -4.535
  289   2HB   LYS  43          2HB       LYS  43   3.313  -4.198  -4.198
  290   1HG   LYS  43          1HG       LYS  43   5.359  -5.963  -5.963
  291   2HG   LYS  43          2HG       LYS  43   4.093  -6.566  -6.566
  292   1HD   LYS  43          1HD       LYS  43   6.312  -4.928  -4.928
  293   2HD   LYS  43          2HD       LYS  43   6.155  -6.675  -6.675
  294   1HE   LYS  43          1HE       LYS  43   5.443  -6.048  -6.048
  295   2HE   LYS  43          2HE       LYS  43   3.999  -6.554  -6.554
  296   1HZ   LYS  43          1HZ       LYS  43   4.423  -4.227  -4.227
  297   2HZ   LYS  43          2HZ       LYS  43   3.103  -4.599  -4.599
  298    H    CYS  44           H        CYS  44   3.819  -1.071  -1.071
  299    HA   CYS  44           HA       CYS  44   3.573  -0.134  -0.134
  300   1HB   CYS  44          1HB       CYS  44   3.660   1.569   1.569
  301   2HB   CYS  44          2HB       CYS  44   2.548   0.779   0.779
  302    H    PHE  45           H        PHE  45   2.232  -1.344  -1.344
  303    HA   PHE  45           HA       PHE  45  -0.083  -2.771  -2.771
  304   1HB   PHE  45          1HB       PHE  45   1.402  -2.996  -2.996
  305   2HB   PHE  45          2HB       PHE  45  -0.225  -3.596  -3.596
  306    HD1  PHE  45           HD1      PHE  45   3.158  -3.915  -3.915
  307    HD2  PHE  45           HD2      PHE  45  -0.679  -5.731  -5.731
  308    HE1  PHE  45           HE1      PHE  45   4.073  -6.118  -6.118
  309    HE2  PHE  45           HE2      PHE  45   0.225  -7.927  -7.927
  310    HZ   PHE  45           HZ       PHE  45   2.598  -8.125  -8.125
  311    H    CYS  46           H        CYS  46  -2.141  -2.313  -2.313
  312    HA   CYS  46           HA       CYS  46  -2.616   0.230   0.230
  313   1HB   CYS  46          1HB       CYS  46  -4.179  -1.138  -1.138
  314   2HB   CYS  46          2HB       CYS  46  -4.690   0.313   0.313
  315    H    TYR  47           H        TYR  47  -4.422   0.199   0.199
  316    HA   TYR  47           HA       TYR  47  -5.157  -2.514  -2.514
  317   1HB   TYR  47          1HB       TYR  47  -3.973  -0.007  -0.007
  318   2HB   TYR  47          2HB       TYR  47  -4.769  -1.162  -1.162
  319    HD1  TYR  47           HD2      TYR  47  -1.862  -0.657  -0.657
  320    HD2  TYR  47           HD1      TYR  47  -3.724  -3.243  -3.243
  321    HE1  TYR  47           HE2      TYR  47   0.288  -1.821  -1.821
  322    HE2  TYR  47           HE1      TYR  47  -1.543  -4.292  -4.292
  323    HH   TYR  47           HH       TYR  47   0.678  -4.236  -4.236
  324    H    PHE  48           H        PHE  48  -7.418  -2.522  -2.522
  325    HA   PHE  48           HA       PHE  48  -8.887   0.037   0.037
  326   1HB   PHE  48          1HB       PHE  48  -9.428  -2.742  -2.742
  327   2HB   PHE  48          2HB       PHE  48 -10.533  -1.408  -1.408
  328    HD1  PHE  48           HD1      PHE  48  -7.286  -2.710  -2.710
  329    HD2  PHE  48           HD2      PHE  48 -10.263   0.403   0.403
  330    HE1  PHE  48           HE1      PHE  48  -6.196  -1.902  -1.902
  331    HE2  PHE  48           HE2      PHE  48  -9.102   1.255   1.255
  332    HZ   PHE  48           HZ       PHE  48  -6.987   0.179   0.179
  333    H    ASN  49           H        ASN  49 -11.236  -0.411  -0.411
  334    HA   ASN  49           HA       ASN  49 -12.745  -0.742  -0.742
  335   1HB   ASN  49          1HB       ASN  49 -11.858  -3.589  -3.589
  336   2HB   ASN  49          2HB       ASN  49 -13.451  -3.075  -3.075
  337   1HD2  ASN  49          2HD2      ASN  49 -12.811  -4.646  -4.646
  338   2HD2  ASN  49          1HD2      ASN  49 -13.511  -3.738  -3.738
  339    H    CYS  50           H        CYS  50 -10.109  -0.153  -0.153
  340    HA   CYS  50           HA       CYS  50  -9.784  -2.255  -2.255
  341   1HB   CYS  50          1HB       CYS  50  -7.923  -0.840  -0.840
  342   2HB   CYS  50          2HB       CYS  50  -8.503   0.376   0.376

  Start of MODEL    6
    1   1H    LEU   1          2H        LEU   1 -12.014  -4.545  -4.545
    2   2H    LEU   1          3H        LEU   1 -12.003  -5.959  -5.959
    3   3H    LEU   1          1H        LEU   1 -12.491  -5.998  -5.998
    4    HA   LEU   1           HA       LEU   1 -10.312  -5.352  -5.352
    5   1HB   LEU   1          1HB       LEU   1 -10.952  -7.707  -7.707
    6   2HB   LEU   1          2HB       LEU   1 -10.391  -7.823  -7.823
    7    HG   LEU   1           HG       LEU   1  -8.407  -6.886  -6.886
    8   1HD1  LEU   1          1HD1      LEU   1  -9.330  -9.776  -9.776
    9   2HD1  LEU   1          2HD1      LEU   1  -7.908  -9.211  -9.211
   10   3HD1  LEU   1          3HD1      LEU   1  -9.530  -8.718  -8.718
   11   1HD2  LEU   1          1HD2      LEU   1  -7.754  -7.190  -7.190
   12   2HD2  LEU   1          2HD2      LEU   1  -6.860  -8.249  -8.249
   13   3HD2  LEU   1          3HD2      LEU   1  -8.201  -8.897  -8.897
   14    H    CYS   2           H        CYS   2  -8.168  -4.772  -4.772
   15    HA   CYS   2           HA       CYS   2  -7.892  -3.043  -3.043
   16   1HB   CYS   2          1HB       CYS   2  -5.565  -4.107  -4.107
   17   2HB   CYS   2          2HB       CYS   2  -5.783  -2.509  -2.509
   18    H    ASN   3           H        ASN   3  -8.382  -4.303  -4.303
   19    HA   ASN   3           HA       ASN   3  -7.544  -6.935  -6.935
   20   1HB   ASN   3          1HB       ASN   3  -8.668  -7.019  -7.019
   21   2HB   ASN   3          2HB       ASN   3  -9.612  -6.097  -6.097
   22   1HD2  ASN   3          2HD2      ASN   3 -10.520  -5.631  -5.631
   23   2HD2  ASN   3          1HD2      ASN   3  -9.879  -4.194  -4.194
   24    H    GLU   4           H        GLU   4  -5.208  -4.925  -4.925
   25    HA   GLU   4           HA       GLU   4  -3.409  -4.667  -4.667
   26   1HB   GLU   4          1HB       GLU   4  -3.070  -6.352  -6.352
   27   2HB   GLU   4          2HB       GLU   4  -3.222  -7.655  -7.655
   28   1HG   GLU   4          1HG       GLU   4  -1.462  -5.505  -5.505
   29   2HG   GLU   4          2HG       GLU   4  -0.934  -6.012  -6.012
   30    H    ARG   5           H        ARG   5  -4.238  -4.187  -4.187
   31    HA   ARG   5           HA       ARG   5  -4.599  -6.384  -6.384
   32   1HB   ARG   5          1HB       ARG   5  -6.335  -4.249  -4.249
   33   2HB   ARG   5          2HB       ARG   5  -5.563  -3.726  -3.726
   34   1HG   ARG   5          1HG       ARG   5  -7.326  -4.837  -4.837
   35   2HG   ARG   5          2HG       ARG   5  -6.170  -6.178  -6.178
   36   1HD   ARG   5          1HD       ARG   5  -8.345  -5.621  -5.621
   37   2HD   ARG   5          2HD       ARG   5  -8.417  -6.868  -6.868
   38   1HH1  ARG   5          1HH2      ARG   5  -7.225  -8.494  -8.494
   39   2HH1  ARG   5          2HH2      ARG   5  -6.333  -9.902  -9.902
   40   1HH2  ARG   5          1HH1      ARG   5  -5.633  -8.532  -8.532
   41   2HH2  ARG   5          2HH1      ARG   5  -5.391  -9.950  -9.950
   42    HA   PRO   6           HA       PRO   6  -0.898  -4.931  -4.931
   43   1HB   PRO   6          1HB       PRO   6  -0.533  -6.081  -6.081
   44   2HB   PRO   6          2HB       PRO   6  -0.741  -7.041  -7.041
   45   1HG   PRO   6          1HG       PRO   6  -2.880  -6.245  -6.245
   46   2HG   PRO   6          2HG       PRO   6  -2.523  -7.886  -7.886
   47   1HD   PRO   6          1HD       PRO   6  -4.451  -6.281  -6.281
   48   2HD   PRO   6          2HD       PRO   6  -3.510  -7.394  -7.394
   49    H    SER   7           H        SER   7   0.320  -4.023  -4.023
   50    HA   SER   7           HA       SER   7  -0.476  -1.433  -1.433
   51   1HB   SER   7          1HB       SER   7   0.894  -2.136  -2.136
   52   2HB   SER   7          2HB       SER   7   1.704  -1.906  -1.906
   53    HG   SER   7           HG       SER   7   0.727  -4.368  -4.368
   54    H    GLN   8           H        GLN   8  -2.514  -1.060  -1.060
   55    HA   GLN   8           HA       GLN   8  -3.461  -2.448  -2.448
   56   1HB   GLN   8          1HB       GLN   8  -4.809  -0.530  -0.530
   57   2HB   GLN   8          2HB       GLN   8  -5.539  -1.194  -1.194
   58   1HG   GLN   8          1HG       GLN   8  -5.150  -3.509  -3.509
   59   2HG   GLN   8          2HG       GLN   8  -4.581  -2.785  -2.785
   60   1HE2  GLN   8          2HE2      GLN   8  -6.347  -0.809  -0.809
   61   2HE2  GLN   8          1HE2      GLN   8  -7.956  -1.507  -1.507
   62    H    THR   9           H        THR   9  -3.251   0.926   0.926
   63    HA   THR   9           HA       THR   9  -3.224   2.164   2.164
   64    HB   THR   9           HB       THR   9  -2.506   4.131   4.131
   65    HG1  THR   9           HG1      THR   9  -3.083   3.500   3.500
   66   1HG2  THR   9          3HG2      THR   9  -5.104   2.636   2.636
   67   2HG2  THR   9          1HG2      THR   9  -4.767   4.339   4.339
   68   3HG2  THR   9          2HG2      THR   9  -4.842   3.814   3.814
   69    H    TRP  10           H        TRP  10  -0.928   1.845   1.845
   70    HA   TRP  10           HA       TRP  10   1.399   2.634   2.634
   71   1HB   TRP  10          1HB       TRP  10   0.900   2.765   2.765
   72   2HB   TRP  10          2HB       TRP  10   1.367   1.075   1.075
   73    HD1  TRP  10           HD1      TRP  10   4.033   0.905   0.905
   74    HE1  TRP  10           HE1      TRP  10   6.088   2.371   2.371
   75    HE3  TRP  10           HE3      TRP  10   1.809   4.646   4.646
   76    HZ2  TRP  10           HZ2      TRP  10   6.646   4.915   4.915
   77    HZ3  TRP  10           HZ3      TRP  10   3.116   6.621   6.621
   78    HH2  TRP  10           HH2      TRP  10   5.587   6.728   6.728
   79    H    SER  11           H        SER  11   0.515   0.879   0.879
   80    HA   SER  11           HA       SER  11   1.425  -1.848  -1.848
   81   1HB   SER  11          1HB       SER  11   0.365  -0.452  -0.452
   82   2HB   SER  11          2HB       SER  11   0.931  -2.128  -2.128
   83    HG   SER  11           HG       SER  11  -1.243  -1.075  -1.075
   84    H    GLY  12           H        GLY  12   3.519  -1.005  -1.005
   85   1HA   GLY  12          1HA       GLY  12   5.531  -1.713  -1.713
   86   2HA   GLY  12          2HA       GLY  12   5.590   0.010   0.010
   87    H    ASN  13           H        ASN  13   7.622  -0.340  -0.340
   88    HA   ASN  13           HA       ASN  13   7.548  -1.887  -1.887
   89   1HB   ASN  13          1HB       ASN  13   9.534  -2.102  -2.102
   90   2HB   ASN  13          2HB       ASN  13   9.887  -0.390  -0.390
   91   1HD2  ASN  13          2HD2      ASN  13  10.403   0.299   0.299
   92   2HD2  ASN  13          1HD2      ASN  13  11.151  -0.925  -0.925
   93    H    CYS  14           H        CYS  14   7.893  -0.752  -0.752
   94    HA   CYS  14           HA       CYS  14   6.635   1.744   1.744
   95   1HB   CYS  14          1HB       CYS  14   6.984   0.027   0.027
   96   2HB   CYS  14          2HB       CYS  14   8.737   0.279   0.279
   97    H    GLY  15           H        GLY  15   7.504   3.739   3.739
   98   1HA   GLY  15          1HA       GLY  15  10.322   4.371   4.371
   99   2HA   GLY  15          2HA       GLY  15   8.963   5.468   5.468
  100    H    ASN  16           H        ASN  16   7.537   5.418   5.418
  101    HA   ASN  16           HA       ASN  16   9.182   5.446   5.446
  102   1HB   ASN  16          1HB       ASN  16   9.508   7.730   7.730
  103   2HB   ASN  16          2HB       ASN  16   7.779   8.040   8.040
  104   1HD2  ASN  16          2HD2      ASN  16  10.068   9.478   9.478
  105   2HD2  ASN  16          1HD2      ASN  16   9.910   9.268   9.268
  106    H    THR  17           H        THR  17   7.987   4.694   4.694
  107    HA   THR  17           HA       THR  17   5.295   3.901   3.901
  108    HB   THR  17           HB       THR  17   7.027   2.926   2.926
  109    HG1  THR  17           HG1      THR  17   4.608   3.543   3.543
  110   1HG2  THR  17          3HG2      THR  17   7.827   5.002   5.002
  111   2HG2  THR  17          1HG2      THR  17   6.263   5.134   5.134
  112   3HG2  THR  17          2HG2      THR  17   7.313   3.743   3.743
  113    H    ALA  18           H        ALA  18   6.780   6.850   6.850
  114    HA   ALA  18           HA       ALA  18   4.449   8.023   8.023
  115   1HB   ALA  18          1HB       ALA  18   6.785   8.761   8.761
  116   2HB   ALA  18          2HB       ALA  18   6.885   9.388   9.388
  117   3HB   ALA  18          3HB       ALA  18   5.733  10.094  10.094
  118    H    HIS  19           H        HIS  19   5.314   7.497   7.497
  119    HA   HIS  19           HA       HIS  19   3.253   9.423   9.423
  120   1HB   HIS  19          1HB       HIS  19   5.444   9.264   9.264
  121   2HB   HIS  19          2HB       HIS  19   5.025   7.616   7.616
  122    HD1  HIS  19           HD1      HIS  19   5.383   8.893   8.893
  123    HD2  HIS  19           HD2      HIS  19   1.899   9.765   9.765
  124    HE1  HIS  19           HE1      HIS  19   3.631   9.774   9.774
  125    H    CYS  20           H        CYS  20   4.109   5.923   5.923
  126    HA   CYS  20           HA       CYS  20   1.989   4.746   4.746
  127   1HB   CYS  20          1HB       CYS  20   3.764   3.425   3.425
  128   2HB   CYS  20          2HB       CYS  20   3.202   3.909   3.909
  129    H    ASP  21           H        ASP  21   1.999   5.701   5.701
  130    HA   ASP  21           HA       ASP  21  -0.648   4.865   4.865
  131   1HB   ASP  21          1HB       ASP  21   0.924   5.439   5.439
  132   2HB   ASP  21          2HB       ASP  21   1.104   7.091   7.091
  133    H    LYS  22           H        LYS  22   0.627   7.983   7.983
  134    HA   LYS  22           HA       LYS  22  -1.825   9.469   9.469
  135   1HB   LYS  22          1HB       LYS  22   0.393   9.870   9.870
  136   2HB   LYS  22          2HB       LYS  22  -0.917  10.983  10.983
  137   1HG   LYS  22          1HG       LYS  22  -0.137  11.020  11.020
  138   2HG   LYS  22          2HG       LYS  22   1.243  10.018  10.018
  139   1HD   LYS  22          1HD       LYS  22   2.106  11.762  11.762
  140   2HD   LYS  22          2HD       LYS  22   0.630  12.721  12.721
  141   1HE   LYS  22          1HE       LYS  22   2.618  13.580  13.580
  142   2HE   LYS  22          2HE       LYS  22   1.115  13.383  13.383
  143   1HZ   LYS  22          1HZ       LYS  22   2.408  10.986  10.986
  144   2HZ   LYS  22          2HZ       LYS  22   3.617  12.141  12.141
  145    H    GLN  23           H        GLN  23  -0.280   7.621   7.621
  146    HA   GLN  23           HA       GLN  23  -2.347   8.032   8.032
  147   1HB   GLN  23          1HB       GLN  23  -0.815   5.459   5.459
  148   2HB   GLN  23          2HB       GLN  23  -1.721   6.254   6.254
  149   1HG   GLN  23          1HG       GLN  23  -0.082   8.289   8.289
  150   2HG   GLN  23          2HG       GLN  23   0.937   6.969   6.969
  151   1HE2  GLN  23          2HE2      GLN  23  -0.140   5.111   5.111
  152   2HE2  GLN  23          1HE2      GLN  23   0.700   5.713   5.713
  153    H    CYS  24           H        CYS  24  -1.978   5.277   5.277
  154    HA   CYS  24           HA       CYS  24  -4.367   3.957   3.957
  155   1HB   CYS  24          1HB       CYS  24  -2.865   4.106   4.106
  156   2HB   CYS  24          2HB       CYS  24  -4.150   2.947   2.947
  157    H    GLN  25           H        GLN  25  -3.952   6.659   6.659
  158    HA   GLN  25           HA       GLN  25  -6.763   6.460   6.460
  159   1HB   GLN  25          1HB       GLN  25  -4.660   8.578   8.578
  160   2HB   GLN  25          2HB       GLN  25  -6.276   8.502   8.502
  161   1HG   GLN  25          1HG       GLN  25  -5.782   6.327   6.327
  162   2HG   GLN  25          2HG       GLN  25  -4.181   6.301   6.301
  163   1HE2  GLN  25          2HE2      GLN  25  -5.560   6.718   6.718
  164   2HE2  GLN  25          1HE2      GLN  25  -4.499   7.924   7.924
  165    H    ASP  26           H        ASP  26  -4.892   8.405   8.405
  166    HA   ASP  26           HA       ASP  26  -7.006  10.377  10.377
  167   1HB   ASP  26          1HB       ASP  26  -4.271  10.057  10.057
  168   2HB   ASP  26          2HB       ASP  26  -5.388  11.370  11.370
  169    H    TRP  27           H        TRP  27  -5.232   8.071   8.071
  170    HA   TRP  27           HA       TRP  27  -6.783   8.639   8.639
  171   1HB   TRP  27          1HB       TRP  27  -4.786   6.436   6.436
  172   2HB   TRP  27          2HB       TRP  27  -5.561   6.559   6.559
  173    HD1  TRP  27           HD1      TRP  27  -4.073   9.644   9.644
  174    HE1  TRP  27           HE1      TRP  27  -1.968  10.403  10.403
  175    HE3  TRP  27           HE3      TRP  27  -3.946   6.029   6.029
  176    HZ2  TRP  27           HZ2      TRP  27  -0.335   9.444   9.444
  177    HZ3  TRP  27           HZ3      TRP  27  -2.056   5.905   5.905
  178    HH2  TRP  27           HH2      TRP  27  -0.242   7.580   7.580
  179    H    GLU  28           H        GLU  28  -6.282   5.908   5.908
  180    HA   GLU  28           HA       GLU  28  -8.827   4.528   4.528
  181   1HB   GLU  28          1HB       GLU  28  -6.344   3.982   3.982
  182   2HB   GLU  28          2HB       GLU  28  -7.719   2.924   2.924
  183   1HG   GLU  28          1HG       GLU  28  -7.622   2.173   2.173
  184   2HG   GLU  28          2HG       GLU  28  -6.593   3.522   3.522
  185    H    LYS  29           H        LYS  29  -9.007   3.766   3.766
  186    HA   LYS  29           HA       LYS  29  -9.494   6.053   6.053
  187   1HB   LYS  29          1HB       LYS  29 -11.856   4.537   4.537
  188   2HB   LYS  29          2HB       LYS  29 -12.030   5.395   5.395
  189   1HG   LYS  29          1HG       LYS  29 -11.357   6.747   6.747
  190   2HG   LYS  29          2HG       LYS  29 -12.941   6.627   6.627
  191   1HD   LYS  29          1HD       LYS  29 -12.597   8.128   8.128
  192   2HD   LYS  29          2HD       LYS  29 -10.896   7.756   7.756
  193   1HE   LYS  29          1HE       LYS  29 -11.981   9.299   9.299
  194   2HE   LYS  29          2HE       LYS  29 -11.360  10.055  10.055
  195   1HZ   LYS  29          1HZ       LYS  29  -9.712   8.113   8.113
  196   2HZ   LYS  29          2HZ       LYS  29  -9.790   9.712   9.712
  197    H    ALA  30           H        ALA  30  -7.796   4.221   4.221
  198    HA   ALA  30           HA       ALA  30  -8.766   1.966   1.966
  199   1HB   ALA  30          1HB       ALA  30  -6.724   1.910   1.910
  200   2HB   ALA  30          2HB       ALA  30  -5.981   3.097   3.097
  201   3HB   ALA  30          3HB       ALA  30  -6.394   1.478   1.478
  202    H    SER  31           H        SER  31  -8.085   1.800   1.800
  203    HA   SER  31           HA       SER  31  -8.501   4.098   4.098
  204   1HB   SER  31          1HB       SER  31  -7.102   1.484   1.484
  205   2HB   SER  31          2HB       SER  31  -7.894   2.573   2.573
  206    HG   SER  31           HG       SER  31  -9.858   2.146   2.146
  207    H    HIS  32           H        HIS  32  -5.608   2.327   2.327
  208    HA   HIS  32           HA       HIS  32  -4.121   4.751   4.751
  209   1HB   HIS  32          1HB       HIS  32  -2.452   4.452   4.452
  210   2HB   HIS  32          2HB       HIS  32  -3.892   4.023   4.023
  211    HD1  HIS  32           HD1      HIS  32  -0.474   2.836   2.836
  212    HD2  HIS  32           HD2      HIS  32  -4.241   1.165   1.165
  213    HE1  HIS  32           HE1      HIS  32  -0.089   0.412   0.412
  214    H    GLY  33           H        GLY  33  -1.709   4.099   4.099
  215   1HA   GLY  33          1HA       GLY  33  -1.540   1.449   1.449
  216   2HA   GLY  33          2HA       GLY  33  -0.968   2.789   2.789
  217    H    ALA  34           H        ALA  34   0.752   0.838   0.838
  218    HA   ALA  34           HA       ALA  34   2.901   2.061   2.061
  219   1HB   ALA  34          1HB       ALA  34   1.583  -0.381  -0.381
  220   2HB   ALA  34          2HB       ALA  34   3.224   0.175   0.175
  221   3HB   ALA  34          3HB       ALA  34   1.831   1.205   1.205
  222    H    CYS  35           H        CYS  35   4.876   1.252   1.252
  223    HA   CYS  35           HA       CYS  35   4.596  -0.663  -0.663
  224   1HB   CYS  35          1HB       CYS  35   6.920   0.930   0.930
  225   2HB   CYS  35          2HB       CYS  35   7.059  -0.260  -0.260
  226    H    HIS  36           H        HIS  36   5.595  -2.748  -2.748
  227    HA   HIS  36           HA       HIS  36   7.336  -3.598  -3.598
  228   1HB   HIS  36          1HB       HIS  36   5.322  -5.646  -5.646
  229   2HB   HIS  36          2HB       HIS  36   6.214  -5.433  -5.433
  230    HD1  HIS  36           HD1      HIS  36   5.253  -2.937  -2.937
  231    HD2  HIS  36           HD2      HIS  36   2.852  -5.086  -5.086
  232    HE1  HIS  36           HE1      HIS  36   2.815  -2.478  -2.478
  233    H    LYS  37           H        LYS  37   8.576  -5.499  -5.499
  234    HA   LYS  37           HA       LYS  37   8.904  -5.948  -5.948
  235   1HB   LYS  37          1HB       LYS  37  10.797  -5.697  -5.697
  236   2HB   LYS  37          2HB       LYS  37  10.327  -7.125  -7.125
  237   1HG   LYS  37          1HG       LYS  37  10.486  -8.270  -8.270
  238   2HG   LYS  37          2HG       LYS  37  11.214  -6.828  -6.828
  239   1HD   LYS  37          1HD       LYS  37  12.399  -8.099  -8.099
  240   2HD   LYS  37          2HD       LYS  37  12.586  -8.976  -8.976
  241   1HE   LYS  37          1HE       LYS  37  13.432  -6.559  -6.559
  242   2HE   LYS  37          2HE       LYS  37  13.752  -6.348  -6.348
  243   1HZ   LYS  37          1HZ       LYS  37  14.684  -8.833  -8.833
  244   2HZ   LYS  37          2HZ       LYS  37  15.378  -7.490  -7.490
  245    H    ARG  38           H        ARG  38   8.139  -7.630  -7.630
  246    HA   ARG  38           HA       ARG  38   7.294 -10.143 -10.143
  247   1HB   ARG  38          1HB       ARG  38   5.711  -8.560  -8.560
  248   2HB   ARG  38          2HB       ARG  38   5.320 -10.199 -10.199
  249   1HG   ARG  38          1HG       ARG  38   5.270  -7.702  -7.702
  250   2HG   ARG  38          2HG       ARG  38   3.881  -8.426  -8.426
  251   1HD   ARG  38          1HD       ARG  38   4.062 -10.474 -10.474
  252   2HD   ARG  38          2HD       ARG  38   5.526  -9.953  -9.953
  253   1HH1  ARG  38          1HH1      ARG  38   6.147  -8.520  -8.520
  254   2HH1  ARG  38          2HH1      ARG  38   5.800  -8.101  -8.101
  255   1HH2  ARG  38          1HH2      ARG  38   2.254  -8.095  -8.095
  256   2HH2  ARG  38          2HH2      ARG  38   3.539  -7.772  -7.772
  257    H    GLU  39           H        GLU  39   8.165 -11.851 -11.851
  258    HA   GLU  39           HA       GLU  39   9.709 -12.738 -12.738
  259   1HB   GLU  39          1HB       GLU  39   7.881 -11.526 -11.526
  260   2HB   GLU  39          2HB       GLU  39   8.767 -13.056 -13.056
  261   1HG   GLU  39          1HG       GLU  39   6.301 -12.346 -12.346
  262   2HG   GLU  39          2HG       GLU  39   6.463 -13.594 -13.594
  263    H    ASN  40           H        ASN  40  10.853 -10.594 -10.594
  264    HA   ASN  40           HA       ASN  40  12.475  -9.137  -9.137
  265   1HB   ASN  40          1HB       ASN  40  13.360 -10.911 -10.911
  266   2HB   ASN  40          2HB       ASN  40  12.770  -9.896  -9.896
  267   1HD2  ASN  40          2HD2      ASN  40  14.761  -9.089  -9.089
  268   2HD2  ASN  40          1HD2      ASN  40  15.949  -8.235  -8.235
  269    H    HIS  41           H        HIS  41   9.691  -8.624  -8.624
  270    HA   HIS  41           HA       HIS  41  10.526  -6.032  -6.032
  271   1HB   HIS  41          1HB       HIS  41   7.982  -7.641  -7.641
  272   2HB   HIS  41          2HB       HIS  41   8.240  -6.097  -6.097
  273    HD1  HIS  41           HD1      HIS  41  10.510  -6.126  -6.126
  274    HD2  HIS  41           HD2      HIS  41   8.817  -9.812  -9.812
  275    HE1  HIS  41           HE1      HIS  41  11.448  -7.924  -7.924
  276    H    TRP  42           H        TRP  42  10.147  -4.158  -4.158
  277    HA   TRP  42           HA       TRP  42   8.564  -4.234  -4.234
  278   1HB   TRP  42          1HB       TRP  42  10.296  -2.175  -2.175
  279   2HB   TRP  42          2HB       TRP  42   9.194  -1.806  -1.806
  280    HD1  TRP  42           HD1      TRP  42  12.158  -4.109  -4.109
  281    HE1  TRP  42           HE1      TRP  42  13.408  -4.488  -4.488
  282    HE3  TRP  42           HE3      TRP  42   8.767  -2.071  -2.071
  283    HZ2  TRP  42           HZ2      TRP  42  12.783  -4.293  -4.293
  284    HZ3  TRP  42           HZ3      TRP  42   9.152  -2.017  -2.017
  285    HH2  TRP  42           HH2      TRP  42  11.153  -3.191  -3.191
  286    H    LYS  43           H        LYS  43   6.372  -4.230  -4.230
  287    HA   LYS  43           HA       LYS  43   5.182  -2.646  -2.646
  288   1HB   LYS  43          1HB       LYS  43   3.666  -4.484  -4.484
  289   2HB   LYS  43          2HB       LYS  43   3.308  -4.037  -4.037
  290   1HG   LYS  43          1HG       LYS  43   5.475  -5.840  -5.840
  291   2HG   LYS  43          2HG       LYS  43   4.141  -6.404  -6.404
  292   1HD   LYS  43          1HD       LYS  43   6.262  -4.654  -4.654
  293   2HD   LYS  43          2HD       LYS  43   6.141  -6.405  -6.405
  294   1HE   LYS  43          1HE       LYS  43   5.295  -5.686  -5.686
  295   2HE   LYS  43          2HE       LYS  43   3.907  -6.253  -6.253
  296   1HZ   LYS  43          1HZ       LYS  43   4.285  -3.817  -3.817
  297   2HZ   LYS  43          2HZ       LYS  43   2.971  -4.297  -4.297
  298    H    CYS  44           H        CYS  44   3.948  -0.906  -0.906
  299    HA   CYS  44           HA       CYS  44   3.447  -0.002  -0.002
  300   1HB   CYS  44          1HB       CYS  44   3.603   1.673   1.673
  301   2HB   CYS  44          2HB       CYS  44   2.588   0.839   0.839
  302    H    PHE  45           H        PHE  45   1.970  -1.039  -1.039
  303    HA   PHE  45           HA       PHE  45  -0.299  -2.504  -2.504
  304   1HB   PHE  45          1HB       PHE  45   1.265  -2.862  -2.862
  305   2HB   PHE  45          2HB       PHE  45  -0.436  -3.251  -3.251
  306    HD1  PHE  45           HD1      PHE  45   2.631  -4.018  -4.018
  307    HD2  PHE  45           HD2      PHE  45  -1.251  -5.329  -5.329
  308    HE1  PHE  45           HE1      PHE  45   3.109  -6.309  -6.309
  309    HE2  PHE  45           HE2      PHE  45  -0.793  -7.599  -7.599
  310    HZ   PHE  45           HZ       PHE  45   1.389  -8.097  -8.097
  311    H    CYS  46           H        CYS  46  -2.342  -2.084  -2.084
  312    HA   CYS  46           HA       CYS  46  -2.835   0.412   0.412
  313   1HB   CYS  46          1HB       CYS  46  -4.491  -0.950  -0.950
  314   2HB   CYS  46          2HB       CYS  46  -4.925   0.505   0.505
  315    H    TYR  47           H        TYR  47  -4.715   0.311   0.311
  316    HA   TYR  47           HA       TYR  47  -5.476  -2.463  -2.463
  317   1HB   TYR  47          1HB       TYR  47  -4.448  -0.009  -0.009
  318   2HB   TYR  47          2HB       TYR  47  -5.224  -1.329  -1.329
  319    HD1  TYR  47           HD1      TYR  47  -2.226  -0.391  -0.391
  320    HD2  TYR  47           HD2      TYR  47  -4.050  -3.305  -3.305
  321    HE1  TYR  47           HE1      TYR  47  -0.096  -1.638  -1.638
  322    HE2  TYR  47           HE2      TYR  47  -1.885  -4.444  -4.444
  323    HH   TYR  47           HH       TYR  47   0.290  -4.469  -4.469
  324    H    PHE  48           H        PHE  48  -7.762  -2.304  -2.304
  325    HA   PHE  48           HA       PHE  48  -9.193   0.211   0.211
  326   1HB   PHE  48          1HB       PHE  48  -9.879  -2.349  -2.349
  327   2HB   PHE  48          2HB       PHE  48 -10.896  -0.965  -0.965
  328    HD1  PHE  48           HD2      PHE  48  -7.664  -2.155  -2.155
  329    HD2  PHE  48           HD1      PHE  48 -10.775   0.845   0.845
  330    HE1  PHE  48           HE2      PHE  48  -6.825  -1.341  -1.341
  331    HE2  PHE  48           HE1      PHE  48  -9.958   1.605   1.605
  332    HZ   PHE  48           HZ       PHE  48  -7.962   0.526   0.526
  333    H    ASN  49           H        ASN  49 -11.500  -0.443  -0.443
  334    HA   ASN  49           HA       ASN  49 -12.852  -1.159  -1.159
  335   1HB   ASN  49          1HB       ASN  49 -11.655  -3.881  -3.881
  336   2HB   ASN  49          2HB       ASN  49 -13.240  -3.554  -3.554
  337   1HD2  ASN  49          2HD2      ASN  49 -11.447  -3.872  -3.872
  338   2HD2  ASN  49          1HD2      ASN  49 -12.793  -3.478  -3.478
  339    H    CYS  50           H        CYS  50 -10.195  -0.259  -0.259
  340    HA   CYS  50           HA       CYS  50  -9.287  -2.281  -2.281
  341   1HB   CYS  50          1HB       CYS  50  -7.838  -0.676  -0.676
  342   2HB   CYS  50          2HB       CYS  50  -8.583   0.591   0.591

  Start of MODEL    7
    1   1H    LEU   1          2H        LEU   1 -11.848  -4.177  -4.177
    2   2H    LEU   1          3H        LEU   1 -12.471  -5.454  -5.454
    3   3H    LEU   1          1H        LEU   1 -12.614  -5.457  -5.457
    4    HA   LEU   1           HA       LEU   1 -10.255  -5.568  -5.568
    5   1HB   LEU   1          1HB       LEU   1 -11.654  -7.605  -7.605
    6   2HB   LEU   1          2HB       LEU   1 -11.444  -7.744  -7.744
    7    HG   LEU   1           HG       LEU   1 -10.135  -9.308  -9.308
    8   1HD1  LEU   1          1HD1      LEU   1  -9.460  -8.757  -8.757
    9   2HD1  LEU   1          2HD1      LEU   1  -8.240  -7.646  -7.646
   10   3HD1  LEU   1          3HD1      LEU   1  -8.171  -9.360  -9.360
   11   1HD2  LEU   1          1HD2      LEU   1  -9.538  -7.732  -7.732
   12   2HD2  LEU   1          2HD2      LEU   1  -8.153  -8.634  -8.634
   13   3HD2  LEU   1          3HD2      LEU   1  -8.375  -6.937  -6.937
   14    H    CYS   2           H        CYS   2  -8.283  -5.128  -5.128
   15    HA   CYS   2           HA       CYS   2  -8.199  -3.555  -3.555
   16   1HB   CYS   2          1HB       CYS   2  -5.742  -4.823  -4.823
   17   2HB   CYS   2          2HB       CYS   2  -5.919  -3.241  -3.241
   18    H    ASN   3           H        ASN   3  -8.851  -4.263  -4.263
   19    HA   ASN   3           HA       ASN   3  -8.009  -6.805  -6.805
   20   1HB   ASN   3          1HB       ASN   3 -10.221  -6.048  -6.048
   21   2HB   ASN   3          2HB       ASN   3  -9.631  -4.419  -4.419
   22   1HD2  ASN   3          2HD2      ASN   3  -8.809  -7.762  -7.762
   23   2HD2  ASN   3          1HD2      ASN   3  -8.876  -7.416  -7.416
   24    H    GLU   4           H        GLU   4  -5.721  -6.541  -6.541
   25    HA   GLU   4           HA       GLU   4  -4.340  -4.381  -4.381
   26   1HB   GLU   4          1HB       GLU   4  -3.309  -5.549  -5.549
   27   2HB   GLU   4          2HB       GLU   4  -3.540  -7.120  -7.120
   28   1HG   GLU   4          1HG       GLU   4  -2.068  -6.591  -6.591
   29   2HG   GLU   4          2HG       GLU   4  -1.838  -4.896  -4.896
   30    H    ARG   5           H        ARG   5  -4.053  -4.205  -4.205
   31    HA   ARG   5           HA       ARG   5  -4.297  -6.550  -6.550
   32   1HB   ARG   5          1HB       ARG   5  -6.150  -4.211  -4.211
   33   2HB   ARG   5          2HB       ARG   5  -5.436  -4.443  -4.443
   34   1HG   ARG   5          1HG       ARG   5  -5.984  -6.875  -6.875
   35   2HG   ARG   5          2HG       ARG   5  -6.838  -6.528  -6.528
   36   1HD   ARG   5          1HD       ARG   5  -7.453  -5.259  -5.259
   37   2HD   ARG   5          2HD       ARG   5  -8.285  -6.685  -6.685
   38   1HH1  ARG   5          1HH2      ARG   5  -8.420  -3.517  -3.517
   39   2HH1  ARG   5          2HH2      ARG   5  -9.528  -2.275  -2.275
   40   1HH2  ARG   5          1HH1      ARG   5 -10.239  -3.746  -3.746
   41   2HH2  ARG   5          2HH1      ARG   5 -10.491  -2.322  -2.322
   42    HA   PRO   6           HA       PRO   6  -0.764  -5.093  -5.093
   43   1HB   PRO   6          1HB       PRO   6  -0.498  -5.957  -5.957
   44   2HB   PRO   6          2HB       PRO   6  -0.602  -7.054  -7.054
   45   1HG   PRO   6          1HG       PRO   6  -2.869  -6.117  -6.117
   46   2HG   PRO   6          2HG       PRO   6  -2.462  -7.801  -7.801
   47   1HD   PRO   6          1HD       PRO   6  -4.351  -6.368  -6.368
   48   2HD   PRO   6          2HD       PRO   6  -3.273  -7.496  -7.496
   49    H    SER   7           H        SER   7   0.370  -3.865  -3.865
   50    HA   SER   7           HA       SER   7  -0.576  -1.243  -1.243
   51   1HB   SER   7          1HB       SER   7   0.693  -1.235  -1.235
   52   2HB   SER   7          2HB       SER   7   1.628  -1.634  -1.634
   53    HG   SER   7           HG       SER   7   0.438  -3.512  -3.512
   54    H    GLN   8           H        GLN   8  -2.690  -0.855  -0.855
   55    HA   GLN   8           HA       GLN   8  -4.155  -2.214  -2.214
   56   1HB   GLN   8          1HB       GLN   8  -4.873   0.272   0.272
   57   2HB   GLN   8          2HB       GLN   8  -5.963  -0.718  -0.718
   58   1HG   GLN   8          1HG       GLN   8  -4.539  -1.569  -1.569
   59   2HG   GLN   8          2HG       GLN   8  -6.215  -1.070  -1.070
   60   1HE2  GLN   8          2HE2      GLN   8  -3.920  -3.641  -3.641
   61   2HE2  GLN   8          1HE2      GLN   8  -5.132  -4.856  -4.856
   62    H    THR   9           H        THR   9  -3.261   1.186   1.186
   63    HA   THR   9           HA       THR   9  -3.607   2.187   2.187
   64    HB   THR   9           HB       THR   9  -2.474   4.160   4.160
   65    HG1  THR   9           HG1      THR   9  -2.830   3.621   3.621
   66   1HG2  THR   9          3HG2      THR   9  -5.120   2.919   2.919
   67   2HG2  THR   9          1HG2      THR   9  -4.601   4.581   4.581
   68   3HG2  THR   9          2HG2      THR   9  -4.878   4.080   4.080
   69    H    TRP  10           H        TRP  10  -1.074   1.802   1.802
   70    HA   TRP  10           HA       TRP  10   0.890   3.092   3.092
   71   1HB   TRP  10          1HB       TRP  10   0.761   2.442   2.442
   72   2HB   TRP  10          2HB       TRP  10   1.279   0.815   0.815
   73    HD1  TRP  10           HD1      TRP  10   3.793   0.669   0.669
   74    HE1  TRP  10           HE1      TRP  10   5.926   2.092   2.092
   75    HE3  TRP  10           HE3      TRP  10   1.643   4.576   4.576
   76    HZ2  TRP  10           HZ2      TRP  10   6.520   4.668   4.668
   77    HZ3  TRP  10           HZ3      TRP  10   2.964   6.525   6.525
   78    HH2  TRP  10           HH2      TRP  10   5.462   6.567   6.567
   79    H    SER  11           H        SER  11   0.117  -0.280  -0.280
   80    HA   SER  11           HA       SER  11   1.127  -1.976  -1.976
   81   1HB   SER  11          1HB       SER  11   0.800   0.221   0.221
   82   2HB   SER  11          2HB       SER  11   0.600  -1.524  -1.524
   83    HG   SER  11           HG       SER  11  -1.045   0.308   0.308
   84    H    GLY  12           H        GLY  12   3.357  -1.361  -1.361
   85   1HA   GLY  12          1HA       GLY  12   5.378  -2.078  -2.078
   86   2HA   GLY  12          2HA       GLY  12   5.452  -0.319  -0.319
   87    H    ASN  13           H        ASN  13   7.534  -0.732  -0.732
   88    HA   ASN  13           HA       ASN  13   7.565  -1.939  -1.939
   89   1HB   ASN  13          1HB       ASN  13   9.479  -2.265  -2.265
   90   2HB   ASN  13          2HB       ASN  13   9.809  -0.531  -0.531
   91   1HD2  ASN  13          2HD2      ASN  13  10.412   0.388   0.388
   92   2HD2  ASN  13          1HD2      ASN  13  11.240  -0.728  -0.728
   93    H    CYS  14           H        CYS  14   8.037  -0.636  -0.636
   94    HA   CYS  14           HA       CYS  14   6.697   1.822   1.822
   95   1HB   CYS  14          1HB       CYS  14   7.197   0.152   0.152
   96   2HB   CYS  14          2HB       CYS  14   8.922   0.536   0.536
   97    H    GLY  15           H        GLY  15   7.562   3.838   3.838
   98   1HA   GLY  15          1HA       GLY  15  10.341   4.526   4.526
   99   2HA   GLY  15          2HA       GLY  15   8.955   5.583   5.583
  100    H    ASN  16           H        ASN  16   7.507   5.538   5.538
  101    HA   ASN  16           HA       ASN  16   9.125   5.668   5.668
  102   1HB   ASN  16          1HB       ASN  16   9.338   7.957   7.957
  103   2HB   ASN  16          2HB       ASN  16   7.593   8.175   8.175
  104   1HD2  ASN  16          2HD2      ASN  16   9.900   9.674   9.674
  105   2HD2  ASN  16          1HD2      ASN  16   9.683   9.510   9.510
  106    H    THR  17           H        THR  17   7.929   4.950   4.950
  107    HA   THR  17           HA       THR  17   5.298   3.948   3.948
  108    HB   THR  17           HB       THR  17   7.083   3.158   3.158
  109    HG1  THR  17           HG1      THR  17   5.517   2.769   2.769
  110   1HG2  THR  17          3HG2      THR  17   7.682   5.365   5.365
  111   2HG2  THR  17          1HG2      THR  17   6.115   5.355   5.355
  112   3HG2  THR  17          2HG2      THR  17   7.317   4.101   4.101
  113    H    ALA  18           H        ALA  18   6.548   7.038   7.038
  114    HA   ALA  18           HA       ALA  18   4.057   8.080   8.080
  115   1HB   ALA  18          1HB       ALA  18   6.295   8.982   8.982
  116   2HB   ALA  18          2HB       ALA  18   6.500   9.558   9.558
  117   3HB   ALA  18          3HB       ALA  18   5.216  10.232  10.232
  118    H    HIS  19           H        HIS  19   5.151   7.482   7.482
  119    HA   HIS  19           HA       HIS  19   3.095   9.291   9.291
  120   1HB   HIS  19          1HB       HIS  19   5.403   9.108   9.108
  121   2HB   HIS  19          2HB       HIS  19   5.018   7.456   7.456
  122    HD1  HIS  19           HD1      HIS  19   5.718   8.954   8.954
  123    HD2  HIS  19           HD2      HIS  19   1.863   9.326   9.326
  124    HE1  HIS  19           HE1      HIS  19   4.107   9.524   9.524
  125    H    CYS  20           H        CYS  20   4.074   5.826   5.826
  126    HA   CYS  20           HA       CYS  20   2.011   4.527   4.527
  127   1HB   CYS  20          1HB       CYS  20   3.823   3.309   3.309
  128   2HB   CYS  20          2HB       CYS  20   3.190   3.811   3.811
  129    H    ASP  21           H        ASP  21   1.956   5.677   5.677
  130    HA   ASP  21           HA       ASP  21  -0.674   4.836   4.836
  131   1HB   ASP  21          1HB       ASP  21   0.918   5.542   5.542
  132   2HB   ASP  21          2HB       ASP  21   1.022   7.169   7.169
  133    H    LYS  22           H        LYS  22   0.490   7.790   7.790
  134    HA   LYS  22           HA       LYS  22  -2.043   9.198   9.198
  135   1HB   LYS  22          1HB       LYS  22   0.173   9.523   9.523
  136   2HB   LYS  22          2HB       LYS  22  -1.200  10.594  10.594
  137   1HG   LYS  22          1HG       LYS  22  -0.455  10.870  10.870
  138   2HG   LYS  22          2HG       LYS  22   0.986   9.901   9.901
  139   1HD   LYS  22          1HD       LYS  22   1.807  11.562  11.562
  140   2HD   LYS  22          2HD       LYS  22   0.285  12.459  12.459
  141   1HE   LYS  22          1HE       LYS  22   2.220  13.479  13.479
  142   2HE   LYS  22          2HE       LYS  22   0.670  13.331  13.331
  143   1HZ   LYS  22          1HZ       LYS  22   2.096  10.991  10.991
  144   2HZ   LYS  22          2HZ       LYS  22   3.136  12.279  12.279
  145    H    GLN  23           H        GLN  23  -0.372   7.069   7.069
  146    HA   GLN  23           HA       GLN  23  -2.675   7.165   7.165
  147   1HB   GLN  23          1HB       GLN  23  -0.454   5.179   5.179
  148   2HB   GLN  23          2HB       GLN  23  -1.650   5.734   5.734
  149   1HG   GLN  23          1HG       GLN  23  -0.700   8.117   8.117
  150   2HG   GLN  23          2HG       GLN  23   0.684   7.263   7.263
  151   1HE2  GLN  23          2HE2      GLN  23   0.051   5.087   5.087
  152   2HE2  GLN  23          1HE2      GLN  23   0.865   5.853   5.853
  153    H    CYS  24           H        CYS  24  -3.390   6.268   6.268
  154    HA   CYS  24           HA       CYS  24  -4.789   3.729   3.729
  155   1HB   CYS  24          1HB       CYS  24  -2.896   4.224   4.224
  156   2HB   CYS  24          2HB       CYS  24  -4.126   2.967   2.967
  157    H    GLN  25           H        GLN  25  -4.072   6.401   6.401
  158    HA   GLN  25           HA       GLN  25  -6.865   6.429   6.429
  159   1HB   GLN  25          1HB       GLN  25  -4.696   8.515   8.515
  160   2HB   GLN  25          2HB       GLN  25  -6.245   8.352   8.352
  161   1HG   GLN  25          1HG       GLN  25  -5.582   6.105   6.105
  162   2HG   GLN  25          2HG       GLN  25  -3.964   6.357   6.357
  163   1HE2  GLN  25          2HE2      GLN  25  -5.788   6.748   6.748
  164   2HE2  GLN  25          1HE2      GLN  25  -5.028   8.229   8.229
  165    H    ASP  26           H        ASP  26  -4.865   8.385   8.385
  166    HA   ASP  26           HA       ASP  26  -7.048  10.341  10.341
  167   1HB   ASP  26          1HB       ASP  26  -4.325  10.191  10.191
  168   2HB   ASP  26          2HB       ASP  26  -5.516  11.450  11.450
  169    H    TRP  27           H        TRP  27  -5.199   8.177   8.177
  170    HA   TRP  27           HA       TRP  27  -6.831   8.636   8.636
  171   1HB   TRP  27          1HB       TRP  27  -4.758   6.521   6.521
  172   2HB   TRP  27          2HB       TRP  27  -5.570   6.646   6.646
  173    HD1  TRP  27           HD1      TRP  27  -4.238   9.811   9.811
  174    HE1  TRP  27           HE1      TRP  27  -2.298  10.750  10.750
  175    HE3  TRP  27           HE3      TRP  27  -3.947   6.160   6.160
  176    HZ2  TRP  27           HZ2      TRP  27  -0.758   9.963   9.963
  177    HZ3  TRP  27           HZ3      TRP  27  -2.171   6.211   6.211
  178    HH2  TRP  27           HH2      TRP  27  -0.570   8.080   8.080
  179    H    GLU  28           H        GLU  28  -6.343   5.666   5.666
  180    HA   GLU  28           HA       GLU  28  -8.893   4.449   4.449
  181   1HB   GLU  28          1HB       GLU  28  -6.755   3.685   3.685
  182   2HB   GLU  28          2HB       GLU  28  -8.092   2.647   2.647
  183   1HG   GLU  28          1HG       GLU  28  -6.044   3.533   3.533
  184   2HG   GLU  28          2HG       GLU  28  -5.965   2.042   2.042
  185    H    LYS  29           H        LYS  29  -9.148   3.572   3.572
  186    HA   LYS  29           HA       LYS  29  -9.683   5.818   5.818
  187   1HB   LYS  29          1HB       LYS  29 -12.044   4.359   4.359
  188   2HB   LYS  29          2HB       LYS  29 -12.214   5.118   5.118
  189   1HG   LYS  29          1HG       LYS  29 -11.580   6.622   6.622
  190   2HG   LYS  29          2HG       LYS  29 -13.140   6.474   6.474
  191   1HD   LYS  29          1HD       LYS  29 -12.754   7.916   7.916
  192   2HD   LYS  29          2HD       LYS  29 -11.069   7.482   7.482
  193   1HE   LYS  29          1HE       LYS  29 -12.096   9.174   9.174
  194   2HE   LYS  29          2HE       LYS  29 -11.447   9.834   9.834
  195   1HZ   LYS  29          1HZ       LYS  29  -9.842   7.904   7.904
  196   2HZ   LYS  29          2HZ       LYS  29  -9.909   9.500   9.500
  197    H    ALA  30           H        ALA  30  -7.991   4.162   4.162
  198    HA   ALA  30           HA       ALA  30  -8.927   1.843   1.843
  199   1HB   ALA  30          1HB       ALA  30  -7.045   1.639   1.639
  200   2HB   ALA  30          2HB       ALA  30  -6.141   2.828   2.828
  201   3HB   ALA  30          3HB       ALA  30  -6.548   1.254   1.254
  202    H    SER  31           H        SER  31  -8.041   1.679   1.679
  203    HA   SER  31           HA       SER  31  -8.385   3.969   3.969
  204   1HB   SER  31          1HB       SER  31  -6.911   1.389   1.389
  205   2HB   SER  31          2HB       SER  31  -7.700   2.459   2.459
  206    HG   SER  31           HG       SER  31  -9.694   1.969   1.969
  207    H    HIS  32           H        HIS  32  -5.493   2.250   2.250
  208    HA   HIS  32           HA       HIS  32  -4.050   4.706   4.706
  209   1HB   HIS  32          1HB       HIS  32  -2.303   4.448   4.448
  210   2HB   HIS  32          2HB       HIS  32  -3.698   4.037   4.037
  211    HD1  HIS  32           HD1      HIS  32  -0.308   2.874   2.874
  212    HD2  HIS  32           HD2      HIS  32  -4.034   1.151   1.151
  213    HE1  HIS  32           HE1      HIS  32   0.136   0.472   0.472
  214    H    GLY  33           H        GLY  33  -1.651   4.103   4.103
  215   1HA   GLY  33          1HA       GLY  33  -1.488   1.434   1.434
  216   2HA   GLY  33          2HA       GLY  33  -0.948   2.756   2.756
  217    H    ALA  34           H        ALA  34   0.815   0.836   0.836
  218    HA   ALA  34           HA       ALA  34   2.952   2.192   2.192
  219   1HB   ALA  34          1HB       ALA  34   1.810  -0.279  -0.279
  220   2HB   ALA  34          2HB       ALA  34   3.422   0.382   0.382
  221   3HB   ALA  34          3HB       ALA  34   1.983   1.343   1.343
  222    H    CYS  35           H        CYS  35   4.959   1.362   1.362
  223    HA   CYS  35           HA       CYS  35   4.779  -0.614  -0.614
  224   1HB   CYS  35          1HB       CYS  35   7.022   1.083   1.083
  225   2HB   CYS  35          2HB       CYS  35   7.215  -0.129  -0.129
  226    H    HIS  36           H        HIS  36   5.863  -2.664  -2.664
  227    HA   HIS  36           HA       HIS  36   7.234  -3.636  -3.636
  228   1HB   HIS  36          1HB       HIS  36   5.295  -5.397  -5.397
  229   2HB   HIS  36          2HB       HIS  36   6.020  -5.616  -5.616
  230    HD1  HIS  36           HD1      HIS  36   5.171  -2.806  -2.806
  231    HD2  HIS  36           HD2      HIS  36   2.801  -5.259  -5.259
  232    HE1  HIS  36           HE1      HIS  36   2.774  -2.498  -2.498
  233    H    LYS  37           H        LYS  37   8.835  -5.228  -5.228
  234    HA   LYS  37           HA       LYS  37   9.337  -5.749  -5.749
  235   1HB   LYS  37          1HB       LYS  37  11.163  -5.210  -5.210
  236   2HB   LYS  37          2HB       LYS  37  10.907  -6.665  -6.665
  237   1HG   LYS  37          1HG       LYS  37  11.090  -7.763  -7.763
  238   2HG   LYS  37          2HG       LYS  37  11.762  -6.267  -6.267
  239   1HD   LYS  37          1HD       LYS  37  12.978  -7.629  -7.629
  240   2HD   LYS  37          2HD       LYS  37  13.205  -8.391  -8.391
  241   1HE   LYS  37          1HE       LYS  37  13.999  -5.948  -5.948
  242   2HE   LYS  37          2HE       LYS  37  14.287  -5.774  -5.774
  243   1HZ   LYS  37          1HZ       LYS  37  15.269  -8.231  -8.231
  244   2HZ   LYS  37          2HZ       LYS  37  15.942  -6.875  -6.875
  245    H    ARG  38           H        ARG  38   8.409  -7.364  -7.364
  246    HA   ARG  38           HA       ARG  38   7.676  -9.883  -9.883
  247   1HB   ARG  38          1HB       ARG  38   5.665  -8.481  -8.481
  248   2HB   ARG  38          2HB       ARG  38   5.962  -8.112  -8.112
  249   1HG   ARG  38          1HG       ARG  38   4.154  -9.641  -9.641
  250   2HG   ARG  38          2HG       ARG  38   5.521 -10.471 -10.471
  251   1HD   ARG  38          1HD       ARG  38   5.418 -12.112 -12.112
  252   2HD   ARG  38          2HD       ARG  38   5.601 -10.921 -10.921
  253   1HH1  ARG  38          1HH2      ARG  38   3.786 -12.412 -12.412
  254   2HH1  ARG  38          2HH2      ARG  38   2.202 -13.101 -13.101
  255   1HH2  ARG  38          1HH1      ARG  38   1.290 -11.922 -11.922
  256   2HH2  ARG  38          2HH1      ARG  38   0.748 -12.790 -12.790
  257    H    GLU  39           H        GLU  39   8.579 -11.551 -11.551
  258    HA   GLU  39           HA       GLU  39   9.732 -12.651 -12.651
  259   1HB   GLU  39          1HB       GLU  39   7.647 -11.202 -11.202
  260   2HB   GLU  39          2HB       GLU  39   8.660 -12.518 -12.518
  261   1HG   GLU  39          1HG       GLU  39   7.656 -14.129 -14.129
  262   2HG   GLU  39          2HG       GLU  39   7.037 -12.941 -12.941
  263    H    ASN  40           H        ASN  40  10.946 -10.359 -10.359
  264    HA   ASN  40           HA       ASN  40  12.498  -8.839  -8.839
  265   1HB   ASN  40          1HB       ASN  40  13.463 -10.930 -10.930
  266   2HB   ASN  40          2HB       ASN  40  13.105 -10.085 -10.085
  267   1HD2  ASN  40          2HD2      ASN  40  15.272  -9.608  -9.608
  268   2HD2  ASN  40          1HD2      ASN  40  16.379  -8.633  -8.633
  269    H    HIS  41           H        HIS  41   9.785  -8.284  -8.284
  270    HA   HIS  41           HA       HIS  41  10.697  -5.990  -5.990
  271   1HB   HIS  41          1HB       HIS  41   8.133  -7.582  -7.582
  272   2HB   HIS  41          2HB       HIS  41   8.408  -6.109  -6.109
  273    HD1  HIS  41           HD1      HIS  41  10.722  -6.287  -6.287
  274    HD2  HIS  41           HD2      HIS  41   8.961  -9.858  -9.858
  275    HE1  HIS  41           HE1      HIS  41  11.688  -8.206  -8.206
  276    H    TRP  42           H        TRP  42  10.284  -4.013  -4.013
  277    HA   TRP  42           HA       TRP  42   8.889  -4.011  -4.011
  278   1HB   TRP  42          1HB       TRP  42  10.489  -1.994  -1.994
  279   2HB   TRP  42          2HB       TRP  42   9.382  -1.527  -1.527
  280    HD1  TRP  42           HD1      TRP  42  12.548  -3.560  -3.560
  281    HE1  TRP  42           HE1      TRP  42  13.730  -3.800  -3.800
  282    HE3  TRP  42           HE3      TRP  42   8.825  -1.881  -1.881
  283    HZ2  TRP  42           HZ2      TRP  42  13.011  -3.593  -3.593
  284    HZ3  TRP  42           HZ3      TRP  42   9.091  -1.849  -1.849
  285    HH2  TRP  42           HH2      TRP  42  11.150  -2.782  -2.782
  286    H    LYS  43           H        LYS  43   6.711  -4.435  -4.435
  287    HA   LYS  43           HA       LYS  43   5.279  -2.985  -2.985
  288   1HB   LYS  43          1HB       LYS  43   4.296  -4.833  -4.833
  289   2HB   LYS  43          2HB       LYS  43   3.376  -4.391  -4.391
  290   1HG   LYS  43          1HG       LYS  43   5.820  -6.085  -6.085
  291   2HG   LYS  43          2HG       LYS  43   4.323  -6.633  -6.633
  292   1HD   LYS  43          1HD       LYS  43   6.168  -4.832  -4.832
  293   2HD   LYS  43          2HD       LYS  43   5.881  -6.554  -6.554
  294   1HE   LYS  43          1HE       LYS  43   4.533  -5.635  -5.635
  295   2HE   LYS  43          2HE       LYS  43   3.406  -6.044  -6.044
  296   1HZ   LYS  43          1HZ       LYS  43   4.175  -3.465  -3.465
  297   2HZ   LYS  43          2HZ       LYS  43   2.711  -3.968  -3.968
  298    H    CYS  44           H        CYS  44   4.346  -1.097  -1.097
  299    HA   CYS  44           HA       CYS  44   3.562  -0.065  -0.065
  300   1HB   CYS  44          1HB       CYS  44   3.722   1.478   1.478
  301   2HB   CYS  44          2HB       CYS  44   2.736   0.518   0.518
  302    H    PHE  45           H        PHE  45   1.881  -0.831  -0.831
  303    HA   PHE  45           HA       PHE  45  -0.239  -2.492  -2.492
  304   1HB   PHE  45          1HB       PHE  45   1.366  -2.872  -2.872
  305   2HB   PHE  45          2HB       PHE  45  -0.343  -3.182  -3.182
  306    HD1  PHE  45           HD1      PHE  45   2.540  -4.140  -4.140
  307    HD2  PHE  45           HD2      PHE  45  -1.288  -5.220  -5.220
  308    HE1  PHE  45           HE1      PHE  45   2.871  -6.515  -6.515
  309    HE2  PHE  45           HE2      PHE  45  -0.966  -7.563  -7.563
  310    HZ   PHE  45           HZ       PHE  45   1.119  -8.205  -8.205
  311    H    CYS  46           H        CYS  46  -2.298  -2.115  -2.115
  312    HA   CYS  46           HA       CYS  46  -2.808   0.412   0.412
  313   1HB   CYS  46          1HB       CYS  46  -4.460  -1.006  -1.006
  314   2HB   CYS  46          2HB       CYS  46  -4.960   0.401   0.401
  315    H    TYR  47           H        TYR  47  -4.588   0.299   0.299
  316    HA   TYR  47           HA       TYR  47  -5.303  -2.455  -2.455
  317   1HB   TYR  47          1HB       TYR  47  -4.233   0.007   0.007
  318   2HB   TYR  47          2HB       TYR  47  -5.006  -1.281  -1.281
  319    HD1  TYR  47           HD2      TYR  47  -2.059  -0.499  -0.499
  320    HD2  TYR  47           HD1      TYR  47  -3.830  -3.246  -3.246
  321    HE1  TYR  47           HE2      TYR  47   0.142  -1.559  -1.559
  322    HE2  TYR  47           HE1      TYR  47  -1.601  -4.178  -4.178
  323    HH   TYR  47           HH       TYR  47   0.619  -4.065  -4.065
  324    H    PHE  48           H        PHE  48  -7.538  -2.427  -2.427
  325    HA   PHE  48           HA       PHE  48  -9.066   0.062   0.062
  326   1HB   PHE  48          1HB       PHE  48  -9.632  -2.631  -2.631
  327   2HB   PHE  48          2HB       PHE  48 -10.742  -1.310  -1.310
  328    HD1  PHE  48           HD2      PHE  48  -7.433  -2.365  -2.365
  329    HD2  PHE  48           HD1      PHE  48 -10.723   0.433   0.433
  330    HE1  PHE  48           HE2      PHE  48  -6.658  -1.646  -1.646
  331    HE2  PHE  48           HE1      PHE  48  -9.968   1.092   1.092
  332    HZ   PHE  48           HZ       PHE  48  -7.926   0.071   0.071
  333    H    ASN  49           H        ASN  49 -11.362  -0.644  -0.644
  334    HA   ASN  49           HA       ASN  49 -12.670  -1.468  -1.468
  335   1HB   ASN  49          1HB       ASN  49 -11.129  -4.004  -4.004
  336   2HB   ASN  49          2HB       ASN  49 -12.696  -3.973  -3.973
  337   1HD2  ASN  49          2HD2      ASN  49 -14.576  -3.073  -3.073
  338   2HD2  ASN  49          1HD2      ASN  49 -14.513  -3.164  -3.164
  339    H    CYS  50           H        CYS  50  -9.906  -0.489  -0.489
  340    HA   CYS  50           HA       CYS  50  -9.201  -2.460  -2.460
  341   1HB   CYS  50          1HB       CYS  50  -7.585  -1.273  -1.273
  342   2HB   CYS  50          2HB       CYS  50  -8.016   0.198   0.198

  Start of MODEL    8
    1   1H    LEU   1          2H        LEU   1 -11.912  -4.043  -4.043
    2   2H    LEU   1          3H        LEU   1 -12.107  -5.507  -5.507
    3   3H    LEU   1          1H        LEU   1 -12.536  -5.375  -5.375
    4    HA   LEU   1           HA       LEU   1 -10.274  -4.957  -4.957
    5   1HB   LEU   1          1HB       LEU   1 -11.167  -7.280  -7.280
    6   2HB   LEU   1          2HB       LEU   1 -10.693  -7.467  -7.467
    7    HG   LEU   1           HG       LEU   1  -8.295  -7.253  -7.253
    8   1HD1  LEU   1          1HD1      LEU   1  -9.397  -7.207  -7.207
    9   2HD1  LEU   1          2HD1      LEU   1  -7.695  -7.440  -7.440
   10   3HD1  LEU   1          3HD1      LEU   1  -8.483  -5.897  -5.897
   11   1HD2  LEU   1          1HD2      LEU   1  -9.376  -9.455  -9.455
   12   2HD2  LEU   1          2HD2      LEU   1  -8.132  -9.442  -9.442
   13   3HD2  LEU   1          3HD2      LEU   1  -9.848  -9.367  -9.367
   14    H    CYS   2           H        CYS   2  -8.020  -4.741  -4.741
   15    HA   CYS   2           HA       CYS   2  -7.789  -3.234  -3.234
   16   1HB   CYS   2          1HB       CYS   2  -5.451  -4.316  -4.316
   17   2HB   CYS   2          2HB       CYS   2  -5.576  -2.821  -2.821
   18    H    ASN   3           H        ASN   3  -8.574  -4.540  -4.540
   19    HA   ASN   3           HA       ASN   3  -7.199  -6.993  -6.993
   20   1HB   ASN   3          1HB       ASN   3  -9.076  -5.430  -5.430
   21   2HB   ASN   3          2HB       ASN   3  -8.617  -7.118  -7.118
   22   1HD2  ASN   3          2HD2      ASN   3  -9.028  -8.314  -8.314
   23   2HD2  ASN   3          1HD2      ASN   3 -10.681  -8.074  -8.074
   24    H    GLU   4           H        GLU   4  -5.127  -6.800  -6.800
   25    HA   GLU   4           HA       GLU   4  -3.907  -4.648  -4.648
   26   1HB   GLU   4          1HB       GLU   4  -2.732  -5.809  -5.809
   27   2HB   GLU   4          2HB       GLU   4  -3.039  -7.399  -7.399
   28   1HG   GLU   4          1HG       GLU   4  -1.723  -6.908  -6.908
   29   2HG   GLU   4          2HG       GLU   4  -1.409  -5.231  -5.231
   30    H    ARG   5           H        ARG   5  -3.777  -4.510  -4.510
   31    HA   ARG   5           HA       ARG   5  -4.172  -6.890  -6.890
   32   1HB   ARG   5          1HB       ARG   5  -6.292  -5.356  -5.356
   33   2HB   ARG   5          2HB       ARG   5  -5.698  -4.391  -4.391
   34   1HG   ARG   5          1HG       ARG   5  -6.095  -6.192  -6.192
   35   2HG   ARG   5          2HG       ARG   5  -6.205  -7.383  -7.383
   36   1HD   ARG   5          1HD       ARG   5  -8.441  -6.916  -6.916
   37   2HD   ARG   5          2HD       ARG   5  -8.298  -6.472  -6.472
   38   1HH1  ARG   5          1HH1      ARG   5  -7.697  -5.867  -5.867
   39   2HH1  ARG   5          2HH1      ARG   5  -7.785  -4.373  -4.373
   40   1HH2  ARG   5          1HH2      ARG   5  -9.122  -2.438  -2.438
   41   2HH2  ARG   5          2HH2      ARG   5  -8.527  -2.474  -2.474
   42    HA   PRO   6           HA       PRO   6  -0.658  -5.137  -5.137
   43   1HB   PRO   6          1HB       PRO   6  -0.465  -6.171  -6.171
   44   2HB   PRO   6          2HB       PRO   6  -0.350  -7.142  -7.142
   45   1HG   PRO   6          1HG       PRO   6  -2.809  -6.662  -6.662
   46   2HG   PRO   6          2HG       PRO   6  -2.152  -8.232  -8.232
   47   1HD   PRO   6          1HD       PRO   6  -4.147  -7.037  -7.037
   48   2HD   PRO   6          2HD       PRO   6  -2.813  -7.789  -7.789
   49    H    SER   7           H        SER   7   0.449  -4.142  -4.142
   50    HA   SER   7           HA       SER   7  -0.497  -1.496  -1.496
   51   1HB   SER   7          1HB       SER   7   1.311  -1.379  -1.379
   52   2HB   SER   7          2HB       SER   7   1.865  -1.980  -1.980
   53    HG   SER   7           HG       SER   7   1.033  -3.645  -3.645
   54    H    GLN   8           H        GLN   8  -2.424  -1.273  -1.273
   55    HA   GLN   8           HA       GLN   8  -3.004  -2.102  -2.102
   56   1HB   GLN   8          1HB       GLN   8  -4.479  -0.551  -0.551
   57   2HB   GLN   8          2HB       GLN   8  -5.175  -0.919  -0.919
   58   1HG   GLN   8          1HG       GLN   8  -5.271  -3.184  -3.184
   59   2HG   GLN   8          2HG       GLN   8  -3.979  -3.225  -3.225
   60   1HE2  GLN   8          2HE2      GLN   8  -4.297  -2.723  -2.723
   61   2HE2  GLN   8          1HE2      GLN   8  -5.901  -2.524  -2.524
   62    H    THR   9           H        THR   9  -3.709   1.158   1.158
   63    HA   THR   9           HA       THR   9  -3.009   2.374   2.374
   64    HB   THR   9           HB       THR   9  -3.496   4.438   4.438
   65    HG1  THR   9           HG1      THR   9  -4.649   3.767   3.767
   66   1HG2  THR   9          3HG2      THR   9  -5.140   3.468   3.468
   67   2HG2  THR   9          1HG2      THR   9  -5.613   2.266   2.266
   68   3HG2  THR   9          2HG2      THR   9  -5.935   3.990   3.990
   69    H    TRP  10           H        TRP  10  -1.006   1.550   1.550
   70    HA   TRP  10           HA       TRP  10   0.928   3.699   3.699
   71   1HB   TRP  10          1HB       TRP  10   0.956   2.325   2.325
   72   2HB   TRP  10          2HB       TRP  10   1.297   0.873   0.873
   73    HD1  TRP  10           HD1      TRP  10   3.723   0.832   0.832
   74    HE1  TRP  10           HE1      TRP  10   5.964   2.080   2.080
   75    HE3  TRP  10           HE3      TRP  10   2.110   4.151   4.151
   76    HZ2  TRP  10           HZ2      TRP  10   6.829   4.350   4.350
   77    HZ3  TRP  10           HZ3      TRP  10   3.584   6.002   6.002
   78    HH2  TRP  10           HH2      TRP  10   5.906   6.104   6.104
   79    H    SER  11           H        SER  11   0.113   0.573   0.573
   80    HA   SER  11           HA       SER  11   0.858  -0.536  -0.536
   81   1HB   SER  11          1HB       SER  11   1.056   2.300   2.300
   82   2HB   SER  11          2HB       SER  11   0.607   0.829   0.829
   83    HG   SER  11           HG       SER  11  -1.132   0.802   0.802
   84    H    GLY  12           H        GLY  12   3.076  -0.737  -0.737
   85   1HA   GLY  12          1HA       GLY  12   5.061  -1.244  -1.244
   86   2HA   GLY  12          2HA       GLY  12   5.388   0.410   0.410
   87    H    ASN  13           H        ASN  13   7.317  -0.162  -0.162
   88    HA   ASN  13           HA       ASN  13   7.289  -1.887  -1.887
   89   1HB   ASN  13          1HB       ASN  13   9.052  -2.114  -2.114
   90   2HB   ASN  13          2HB       ASN  13   9.700  -0.562  -0.562
   91   1HD2  ASN  13          2HD2      ASN  13  10.308  -0.535  -0.535
   92   2HD2  ASN  13          1HD2      ASN  13  11.045  -2.018  -2.018
   93    H    CYS  14           H        CYS  14   8.068  -0.884  -0.884
   94    HA   CYS  14           HA       CYS  14   7.346   1.997   1.997
   95   1HB   CYS  14          1HB       CYS  14   6.012   0.662   0.662
   96   2HB   CYS  14          2HB       CYS  14   7.377  -0.319  -0.319
   97    H    GLY  15           H        GLY  15   8.579   3.353   3.353
   98   1HA   GLY  15          1HA       GLY  15  10.984   2.363   2.363
   99   2HA   GLY  15          2HA       GLY  15  11.197   3.816   3.816
  100    H    ASN  16           H        ASN  16   9.186   5.343   5.343
  101    HA   ASN  16           HA       ASN  16   9.314   6.291   6.291
  102   1HB   ASN  16          1HB       ASN  16   9.288   7.700   7.700
  103   2HB   ASN  16          2HB       ASN  16   7.563   7.352   7.352
  104   1HD2  ASN  16          2HD2      ASN  16   8.428   9.989   9.989
  105   2HD2  ASN  16          1HD2      ASN  16   7.957  10.558  10.558
  106    H    THR  17           H        THR  17   8.378   4.430   4.430
  107    HA   THR  17           HA       THR  17   5.670   3.772   3.772
  108    HB   THR  17           HB       THR  17   7.534   2.690   2.690
  109    HG1  THR  17           HG1      THR  17   6.089   2.111   2.111
  110   1HG2  THR  17          3HG2      THR  17   8.349   4.705   4.705
  111   2HG2  THR  17          1HG2      THR  17   6.856   4.690   4.690
  112   3HG2  THR  17          2HG2      THR  17   7.992   3.333   3.333
  113    H    ALA  18           H        ALA  18   7.170   6.698   6.698
  114    HA   ALA  18           HA       ALA  18   4.809   7.577   7.577
  115   1HB   ALA  18          1HB       ALA  18   7.077   8.377   8.377
  116   2HB   ALA  18          2HB       ALA  18   7.180   9.214   9.214
  117   3HB   ALA  18          3HB       ALA  18   5.965   9.705   9.705
  118    H    HIS  19           H        HIS  19   5.715   7.603   7.603
  119    HA   HIS  19           HA       HIS  19   3.439   9.371   9.371
  120   1HB   HIS  19          1HB       HIS  19   5.308   9.341   9.341
  121   2HB   HIS  19          2HB       HIS  19   5.118   7.608   7.608
  122    HD1  HIS  19           HD1      HIS  19   4.740   8.111   8.111
  123    HD2  HIS  19           HD2      HIS  19   1.781   9.580   9.580
  124    HE1  HIS  19           HE1      HIS  19   2.616   8.490   8.490
  125    H    CYS  20           H        CYS  20   4.307   5.859   5.859
  126    HA   CYS  20           HA       CYS  20   2.056   4.773   4.773
  127   1HB   CYS  20          1HB       CYS  20   3.868   3.364   3.364
  128   2HB   CYS  20          2HB       CYS  20   3.541   3.710   3.710
  129    H    ASP  21           H        ASP  21   2.351   5.597   5.597
  130    HA   ASP  21           HA       ASP  21  -0.202   4.637   4.637
  131   1HB   ASP  21          1HB       ASP  21   1.488   5.287   5.287
  132   2HB   ASP  21          2HB       ASP  21   1.412   6.979   6.979
  133    H    LYS  22           H        LYS  22   0.769   7.764   7.764
  134    HA   LYS  22           HA       LYS  22  -1.826   9.015   9.015
  135   1HB   LYS  22          1HB       LYS  22   0.294   9.875   9.875
  136   2HB   LYS  22          2HB       LYS  22  -1.060  10.806  10.806
  137   1HG   LYS  22          1HG       LYS  22  -0.079  10.537  10.537
  138   2HG   LYS  22          2HG       LYS  22   1.278   9.686   9.686
  139   1HD   LYS  22          1HD       LYS  22   1.977  11.656  11.656
  140   2HD   LYS  22          2HD       LYS  22   0.500  12.528  12.528
  141   1HE   LYS  22          1HE       LYS  22   2.545  13.234  13.234
  142   2HE   LYS  22          2HE       LYS  22   1.147  12.790  12.790
  143   1HZ   LYS  22          1HZ       LYS  22   2.377  10.464  10.464
  144   2HZ   LYS  22          2HZ       LYS  22   3.710  11.481  11.481
  145    H    GLN  23           H        GLN  23   0.002   7.366   7.366
  146    HA   GLN  23           HA       GLN  23  -1.489   8.035   8.035
  147   1HB   GLN  23          1HB       GLN  23   0.751   6.963   6.963
  148   2HB   GLN  23          2HB       GLN  23   0.083   5.537   5.537
  149   1HG   GLN  23          1HG       GLN  23   0.441   4.963   4.963
  150   2HG   GLN  23          2HG       GLN  23  -1.303   5.050   5.050
  151   1HE2  GLN  23          2HE2      GLN  23  -0.667   5.112   5.112
  152   2HE2  GLN  23          1HE2      GLN  23  -0.483   6.693   6.693
  153    H    CYS  24           H        CYS  24  -1.829   5.199   5.199
  154    HA   CYS  24           HA       CYS  24  -4.063   3.972   3.972
  155   1HB   CYS  24          1HB       CYS  24  -3.008   3.899   3.899
  156   2HB   CYS  24          2HB       CYS  24  -4.312   2.860   2.860
  157    H    GLN  25           H        GLN  25  -3.983   6.830   6.830
  158    HA   GLN  25           HA       GLN  25  -6.877   6.710   6.710
  159   1HB   GLN  25          1HB       GLN  25  -4.735   8.677   8.677
  160   2HB   GLN  25          2HB       GLN  25  -6.428   8.652   8.652
  161   1HG   GLN  25          1HG       GLN  25  -6.126   6.442   6.442
  162   2HG   GLN  25          2HG       GLN  25  -4.465   6.357   6.357
  163   1HE2  GLN  25          2HE2      GLN  25  -6.339   8.939   8.939
  164   2HE2  GLN  25          1HE2      GLN  25  -5.158   9.131   9.131
  165    H    ASP  26           H        ASP  26  -4.397   8.394   8.394
  166    HA   ASP  26           HA       ASP  26  -5.929  10.660  10.660
  167   1HB   ASP  26          1HB       ASP  26  -3.388   9.460   9.460
  168   2HB   ASP  26          2HB       ASP  26  -4.088  11.009  11.009
  169    H    TRP  27           H        TRP  27  -4.724   7.752   7.752
  170    HA   TRP  27           HA       TRP  27  -6.434   8.295   8.295
  171   1HB   TRP  27          1HB       TRP  27  -4.462   6.057   6.057
  172   2HB   TRP  27          2HB       TRP  27  -5.459   6.085   6.085
  173    HD1  TRP  27           HD1      TRP  27  -3.264   8.851   8.851
  174    HE1  TRP  27           HE1      TRP  27  -1.509   9.579   9.579
  175    HE3  TRP  27           HE3      TRP  27  -4.553   5.699   5.699
  176    HZ2  TRP  27           HZ2      TRP  27  -0.654   8.719   8.719
  177    HZ3  TRP  27           HZ3      TRP  27  -3.052   5.371   5.371
  178    HH2  TRP  27           HH2      TRP  27  -1.153   6.942   6.942
  179    H    GLU  28           H        GLU  28  -5.860   5.478   5.478
  180    HA   GLU  28           HA       GLU  28  -8.576   4.414   4.414
  181   1HB   GLU  28          1HB       GLU  28  -5.926   3.439   3.439
  182   2HB   GLU  28          2HB       GLU  28  -7.093   3.002   3.002
  183   1HG   GLU  28          1HG       GLU  28  -7.418   2.434   2.434
  184   2HG   GLU  28          2HG       GLU  28  -6.771   1.294   1.294
  185    H    LYS  29           H        LYS  29  -9.067   3.513   3.513
  186    HA   LYS  29           HA       LYS  29  -8.925   5.577   5.577
  187   1HB   LYS  29          1HB       LYS  29 -11.592   5.031   5.031
  188   2HB   LYS  29          2HB       LYS  29 -11.505   5.581   5.581
  189   1HG   LYS  29          1HG       LYS  29 -11.630   7.638   7.638
  190   2HG   LYS  29          2HG       LYS  29  -9.915   7.461   7.461
  191   1HD   LYS  29          1HD       LYS  29 -10.782   6.519   6.519
  192   2HD   LYS  29          2HD       LYS  29 -12.304   7.263   7.263
  193   1HE   LYS  29          1HE       LYS  29 -11.140   8.892   8.892
  194   2HE   LYS  29          2HE       LYS  29 -11.017   9.456   9.456
  195   1HZ   LYS  29          1HZ       LYS  29  -8.923   7.743   7.743
  196   2HZ   LYS  29          2HZ       LYS  29  -8.958   9.378   9.378
  197    H    ALA  30           H        ALA  30  -7.727   3.579   3.579
  198    HA   ALA  30           HA       ALA  30  -9.100   1.490   1.490
  199   1HB   ALA  30          1HB       ALA  30  -6.945   1.185   1.185
  200   2HB   ALA  30          2HB       ALA  30  -6.137   2.169   2.169
  201   3HB   ALA  30          3HB       ALA  30  -6.890   0.615   0.615
  202    H    SER  31           H        SER  31  -8.199   1.426   1.426
  203    HA   SER  31           HA       SER  31  -8.787   3.852   3.852
  204   1HB   SER  31          1HB       SER  31  -7.179   1.481   1.481
  205   2HB   SER  31          2HB       SER  31  -8.133   2.614   2.614
  206    HG   SER  31           HG       SER  31  -9.989   1.827   1.827
  207    H    HIS  32           H        HIS  32  -5.768   2.238   2.238
  208    HA   HIS  32           HA       HIS  32  -4.529   4.684   4.684
  209   1HB   HIS  32          1HB       HIS  32  -2.852   4.902   4.902
  210   2HB   HIS  32          2HB       HIS  32  -4.253   4.648   4.648
  211    HD1  HIS  32           HD1      HIS  32  -0.841   3.777   3.777
  212    HD2  HIS  32           HD2      HIS  32  -4.377   1.572   1.572
  213    HE1  HIS  32           HE1      HIS  32  -0.272   1.456   1.456
  214    H    GLY  33           H        GLY  33  -1.840   3.993   3.993
  215   1HA   GLY  33          1HA       GLY  33  -1.595   1.351   1.351
  216   2HA   GLY  33          2HA       GLY  33  -0.901   2.731   2.731
  217    H    ALA  34           H        ALA  34   0.639   0.565   0.565
  218    HA   ALA  34           HA       ALA  34   2.787   1.867   1.867
  219   1HB   ALA  34          1HB       ALA  34   1.519  -0.532  -0.532
  220   2HB   ALA  34          2HB       ALA  34   3.113   0.153   0.153
  221   3HB   ALA  34          3HB       ALA  34   1.648   1.114   1.114
  222    H    CYS  35           H        CYS  35   4.746   1.053   1.053
  223    HA   CYS  35           HA       CYS  35   4.424  -0.951  -0.951
  224   1HB   CYS  35          1HB       CYS  35   6.813   0.614   0.614
  225   2HB   CYS  35          2HB       CYS  35   6.847  -0.554  -0.554
  226    H    HIS  36           H        HIS  36   5.583  -2.954  -2.954
  227    HA   HIS  36           HA       HIS  36   7.388  -3.733  -3.733
  228   1HB   HIS  36          1HB       HIS  36   5.381  -5.844  -5.844
  229   2HB   HIS  36          2HB       HIS  36   6.369  -5.692  -5.692
  230    HD1  HIS  36           HD1      HIS  36   5.418  -4.005  -4.005
  231    HD2  HIS  36           HD2      HIS  36   3.052  -4.541  -4.541
  232    HE1  HIS  36           HE1      HIS  36   3.129  -2.968  -2.968
  233    H    LYS  37           H        LYS  37   8.735  -5.509  -5.509
  234    HA   LYS  37           HA       LYS  37   8.976  -5.874  -5.874
  235   1HB   LYS  37          1HB       LYS  37  10.890  -5.487  -5.487
  236   2HB   LYS  37          2HB       LYS  37  10.587  -6.940  -6.940
  237   1HG   LYS  37          1HG       LYS  37  10.656  -7.980  -7.980
  238   2HG   LYS  37          2HG       LYS  37  11.515  -6.536  -6.536
  239   1HD   LYS  37          1HD       LYS  37  12.289  -8.376  -8.376
  240   2HD   LYS  37          2HD       LYS  37  12.917  -8.601  -8.601
  241   1HE   LYS  37          1HE       LYS  37  13.953  -6.388  -6.388
  242   2HE   LYS  37          2HE       LYS  37  13.278  -6.052  -6.052
  243   1HZ   LYS  37          1HZ       LYS  37  14.876  -8.449  -8.449
  244   2HZ   LYS  37          2HZ       LYS  37  15.707  -6.997  -6.997
  245    H    ARG  38           H        ARG  38   8.024  -7.424  -7.424
  246    HA   ARG  38           HA       ARG  38   7.432 -10.058 -10.058
  247   1HB   ARG  38          1HB       ARG  38   5.859  -8.543  -8.543
  248   2HB   ARG  38          2HB       ARG  38   5.561 -10.214 -10.214
  249   1HG   ARG  38          1HG       ARG  38   5.175  -7.744  -7.744
  250   2HG   ARG  38          2HG       ARG  38   3.930  -8.699  -8.699
  251   1HD   ARG  38          1HD       ARG  38   5.173 -10.659 -10.659
  252   2HD   ARG  38          2HD       ARG  38   5.380  -9.306  -9.306
  253   1HH1  ARG  38          1HH1      ARG  38   3.898  -7.531  -7.531
  254   2HH1  ARG  38          2HH1      ARG  38   2.354  -7.252  -7.252
  255   1HH2  ARG  38          1HH2      ARG  38   0.983 -10.366 -10.366
  256   2HH2  ARG  38          2HH2      ARG  38   0.788  -8.795  -8.795
  257    H    GLU  39           H        GLU  39   8.850 -11.468 -11.468
  258    HA   GLU  39           HA       GLU  39  10.340 -12.364 -12.364
  259   1HB   GLU  39          1HB       GLU  39   7.889 -11.675 -11.675
  260   2HB   GLU  39          2HB       GLU  39   9.267 -12.577 -12.577
  261   1HG   GLU  39          1HG       GLU  39   7.625 -14.169 -14.169
  262   2HG   GLU  39          2HG       GLU  39   9.005 -14.309 -14.309
  263    H    ASN  40           H        ASN  40  11.583 -10.366 -10.366
  264    HA   ASN  40           HA       ASN  40  13.197  -8.875  -8.875
  265   1HB   ASN  40          1HB       ASN  40  13.976 -10.135 -10.135
  266   2HB   ASN  40          2HB       ASN  40  12.561  -9.853  -9.853
  267   1HD2  ASN  40          2HD2      ASN  40  15.595  -8.383  -8.383
  268   2HD2  ASN  40          1HD2      ASN  40  15.542  -7.078  -7.078
  269    H    HIS  41           H        HIS  41   9.956  -8.405  -8.405
  270    HA   HIS  41           HA       HIS  41  10.621  -5.658  -5.658
  271   1HB   HIS  41          1HB       HIS  41   8.310  -7.502  -7.502
  272   2HB   HIS  41          2HB       HIS  41   8.326  -5.797  -5.797
  273    HD1  HIS  41           HD1      HIS  41  10.538  -4.982  -4.982
  274    HD2  HIS  41           HD2      HIS  41   9.662  -9.121  -9.121
  275    HE1  HIS  41           HE1      HIS  41  11.929  -6.093  -6.093
  276    H    TRP  42           H        TRP  42  10.320  -4.056  -4.056
  277    HA   TRP  42           HA       TRP  42   8.541  -4.013  -4.013
  278   1HB   TRP  42          1HB       TRP  42  10.166  -1.928  -1.928
  279   2HB   TRP  42          2HB       TRP  42   9.111  -1.581  -1.581
  280    HD1  TRP  42           HD1      TRP  42  12.203  -3.665  -3.665
  281    HE1  TRP  42           HE1      TRP  42  13.501  -4.109  -4.109
  282    HE3  TRP  42           HE3      TRP  42   8.756  -1.963  -1.963
  283    HZ2  TRP  42           HZ2      TRP  42  12.873  -4.156  -4.156
  284    HZ3  TRP  42           HZ3      TRP  42   9.128  -2.125  -2.125
  285    HH2  TRP  42           HH2      TRP  42  11.153  -3.369  -3.369
  286    H    LYS  43           H        LYS  43   6.362  -4.134  -4.134
  287    HA   LYS  43           HA       LYS  43   5.146  -2.580  -2.580
  288   1HB   LYS  43          1HB       LYS  43   3.680  -4.583  -4.583
  289   2HB   LYS  43          2HB       LYS  43   3.374  -4.113  -4.113
  290   1HG   LYS  43          1HG       LYS  43   5.628  -5.787  -5.787
  291   2HG   LYS  43          2HG       LYS  43   4.329  -6.431  -6.431
  292   1HD   LYS  43          1HD       LYS  43   6.366  -4.591  -4.591
  293   2HD   LYS  43          2HD       LYS  43   6.299  -6.348  -6.348
  294   1HE   LYS  43          1HE       LYS  43   5.429  -5.696  -5.696
  295   2HE   LYS  43          2HE       LYS  43   4.029  -6.211  -6.211
  296   1HZ   LYS  43          1HZ       LYS  43   4.463  -3.818  -3.818
  297   2HZ   LYS  43          2HZ       LYS  43   3.133  -4.246  -4.246
  298    H    CYS  44           H        CYS  44   3.812  -0.951  -0.951
  299    HA   CYS  44           HA       CYS  44   3.329  -0.148  -0.148
  300   1HB   CYS  44          1HB       CYS  44   3.547   1.541   1.541
  301   2HB   CYS  44          2HB       CYS  44   2.396   0.806   0.806
  302    H    PHE  45           H        PHE  45   2.028  -1.544  -1.544
  303    HA   PHE  45           HA       PHE  45  -0.297  -2.806  -2.806
  304   1HB   PHE  45          1HB       PHE  45   1.092  -3.233  -3.233
  305   2HB   PHE  45          2HB       PHE  45  -0.594  -3.639  -3.639
  306    HD1  PHE  45           HD2      PHE  45   2.605  -4.265  -4.265
  307    HD2  PHE  45           HD1      PHE  45  -1.280  -5.713  -5.713
  308    HE1  PHE  45           HE2      PHE  45   3.133  -6.483  -6.483
  309    HE2  PHE  45           HE1      PHE  45  -0.746  -7.934  -7.934
  310    HZ   PHE  45           HZ       PHE  45   1.442  -8.305  -8.305
  311    H    CYS  46           H        CYS  46  -2.355  -2.310  -2.310
  312    HA   CYS  46           HA       CYS  46  -2.846   0.192   0.192
  313   1HB   CYS  46          1HB       CYS  46  -4.484  -1.186  -1.186
  314   2HB   CYS  46          2HB       CYS  46  -4.943   0.258   0.258
  315    H    TYR  47           H        TYR  47  -4.616   0.122   0.122
  316    HA   TYR  47           HA       TYR  47  -5.162  -2.590  -2.590
  317   1HB   TYR  47          1HB       TYR  47  -4.205   0.036   0.036
  318   2HB   TYR  47          2HB       TYR  47  -4.949  -1.154  -1.154
  319    HD1  TYR  47           HD2      TYR  47  -2.062  -0.477  -0.477
  320    HD2  TYR  47           HD1      TYR  47  -3.754  -3.086  -3.086
  321    HE1  TYR  47           HE2      TYR  47   0.022  -1.794  -1.794
  322    HE2  TYR  47           HE1      TYR  47  -1.609  -4.292  -4.292
  323    HH   TYR  47           HH       TYR  47   0.354  -4.723  -4.723
  324    H    PHE  48           H        PHE  48  -7.424  -2.828  -2.828
  325    HA   PHE  48           HA       PHE  48  -9.101  -0.391  -0.391
  326   1HB   PHE  48          1HB       PHE  48  -9.475  -3.298  -3.298
  327   2HB   PHE  48          2HB       PHE  48 -10.708  -2.083  -2.083
  328    HD1  PHE  48           HD1      PHE  48  -7.431  -3.141  -3.141
  329    HD2  PHE  48           HD2      PHE  48 -10.776  -0.435  -0.435
  330    HE1  PHE  48           HE1      PHE  48  -6.447  -2.206  -2.206
  331    HE2  PHE  48           HE2      PHE  48  -9.789   0.494   0.494
  332    HZ   PHE  48           HZ       PHE  48  -7.566  -0.311  -0.311
  333    H    ASN  49           H        ASN  49 -11.323  -0.947  -0.947
  334    HA   ASN  49           HA       ASN  49 -12.506  -0.997  -0.997
  335   1HB   ASN  49          1HB       ASN  49 -11.770  -3.926  -3.926
  336   2HB   ASN  49          2HB       ASN  49 -13.254  -3.245  -3.245
  337   1HD2  ASN  49          2HD2      ASN  49 -12.320  -4.976  -4.976
  338   2HD2  ASN  49          1HD2      ASN  49 -13.354  -4.303  -4.303
  339    H    CYS  50           H        CYS  50  -9.806  -0.228  -0.228
  340    HA   CYS  50           HA       CYS  50  -9.087  -1.940  -1.940
  341   1HB   CYS  50          1HB       CYS  50  -7.430  -1.010  -1.010
  342   2HB   CYS  50          2HB       CYS  50  -7.847   0.575   0.575

  Start of MODEL    9
    1   1H    LEU   1          3H        LEU   1 -12.486  -4.927  -4.927
    2   2H    LEU   1          1H        LEU   1 -12.818  -5.195  -5.195
    3   3H    LEU   1          2H        LEU   1 -11.968  -3.822  -3.822
    4    HA   LEU   1           HA       LEU   1 -10.511  -5.391  -5.391
    5   1HB   LEU   1          1HB       LEU   1 -11.841  -7.407  -7.407
    6   2HB   LEU   1          2HB       LEU   1 -11.517  -7.199  -7.199
    7    HG   LEU   1           HG       LEU   1  -9.081  -7.613  -7.613
    8   1HD1  LEU   1          1HD1      LEU   1 -10.017  -8.211  -8.211
    9   2HD1  LEU   1          2HD1      LEU   1  -8.419  -8.602  -8.602
   10   3HD1  LEU   1          3HD1      LEU   1  -8.898  -6.915  -6.915
   11   1HD2  LEU   1          1HD2      LEU   1 -10.597  -9.432  -9.432
   12   2HD2  LEU   1          2HD2      LEU   1  -9.322 -10.018 -10.018
   13   3HD2  LEU   1          3HD2      LEU   1 -10.964  -9.766  -9.766
   14    H    CYS   2           H        CYS   2  -8.328  -5.146  -5.146
   15    HA   CYS   2           HA       CYS   2  -7.805  -3.537  -3.537
   16   1HB   CYS   2          1HB       CYS   2  -5.699  -4.901  -4.901
   17   2HB   CYS   2          2HB       CYS   2  -5.609  -3.380  -3.380
   18    H    ASN   3           H        ASN   3  -8.755  -4.927  -4.927
   19    HA   ASN   3           HA       ASN   3  -7.250  -7.265  -7.265
   20   1HB   ASN   3          1HB       ASN   3  -8.908  -5.581  -5.581
   21   2HB   ASN   3          2HB       ASN   3  -8.455  -7.265  -7.265
   22   1HD2  ASN   3          2HD2      ASN   3  -9.278  -7.458  -7.458
   23   2HD2  ASN   3          1HD2      ASN   3 -11.027  -7.570  -7.570
   24    H    GLU   4           H        GLU   4  -5.117  -6.638  -6.638
   25    HA   GLU   4           HA       GLU   4  -3.964  -4.398  -4.398
   26   1HB   GLU   4          1HB       GLU   4  -3.108  -5.574  -5.574
   27   2HB   GLU   4          2HB       GLU   4  -2.785  -7.011  -7.011
   28   1HG   GLU   4          1HG       GLU   4  -1.710  -4.836  -4.836
   29   2HG   GLU   4          2HG       GLU   4  -1.319  -4.470  -4.470
   30    H    ARG   5           H        ARG   5  -4.652  -4.429  -4.429
   31    HA   ARG   5           HA       ARG   5  -4.286  -6.799  -6.799
   32   1HB   ARG   5          1HB       ARG   5  -6.281  -5.274  -5.274
   33   2HB   ARG   5          2HB       ARG   5  -5.220  -4.060  -4.060
   34   1HG   ARG   5          1HG       ARG   5  -4.809  -5.758  -5.758
   35   2HG   ARG   5          2HG       ARG   5  -6.065  -6.780  -6.780
   36   1HD   ARG   5          1HD       ARG   5  -6.328  -3.947  -3.947
   37   2HD   ARG   5          2HD       ARG   5  -6.896  -5.418  -5.418
   38   1HH1  ARG   5          1HH2      ARG   5  -8.187  -3.572  -3.572
   39   2HH1  ARG   5          2HH2      ARG   5  -9.767  -2.897  -2.897
   40   1HH2  ARG   5          1HH1      ARG   5 -10.143  -4.290  -4.290
   41   2HH2  ARG   5          2HH1      ARG   5 -10.895  -3.311  -3.311
   42    HA   PRO   6           HA       PRO   6  -0.285  -5.276  -5.276
   43   1HB   PRO   6          1HB       PRO   6  -1.374  -6.500  -6.500
   44   2HB   PRO   6          2HB       PRO   6   0.267  -6.660  -6.660
   45   1HG   PRO   6          1HG       PRO   6  -1.534  -8.667  -8.667
   46   2HG   PRO   6          2HG       PRO   6  -0.538  -8.159  -8.159
   47   1HD   PRO   6          1HD       PRO   6  -3.415  -7.415  -7.415
   48   2HD   PRO   6          2HD       PRO   6  -2.658  -7.888  -7.888
   49    H    SER   7           H        SER   7   0.509  -4.105  -4.105
   50    HA   SER   7           HA       SER   7  -0.413  -1.581  -1.581
   51   1HB   SER   7          1HB       SER   7   0.813  -1.971  -1.971
   52   2HB   SER   7          2HB       SER   7   1.705  -2.055  -2.055
   53    HG   SER   7           HG       SER   7   0.523  -4.311  -4.311
   54    H    GLN   8           H        GLN   8  -2.189  -0.674  -0.674
   55    HA   GLN   8           HA       GLN   8  -3.633  -1.902  -1.902
   56   1HB   GLN   8          1HB       GLN   8  -4.437   0.187   0.187
   57   2HB   GLN   8          2HB       GLN   8  -5.460  -0.465  -0.465
   58   1HG   GLN   8          1HG       GLN   8  -4.216  -2.087  -2.087
   59   2HG   GLN   8          2HG       GLN   8  -5.824  -1.415  -1.415
   60   1HE2  GLN   8          2HE2      GLN   8  -3.702  -3.737  -3.737
   61   2HE2  GLN   8          1HE2      GLN   8  -5.053  -4.728  -4.728
   62    H    THR   9           H        THR   9  -3.303   1.513   1.513
   63    HA   THR   9           HA       THR   9  -2.916   2.374   2.374
   64    HB   THR   9           HB       THR   9  -3.333   4.596   4.596
   65    HG1  THR   9           HG1      THR   9  -4.105   4.324   4.324
   66   1HG2  THR   9          3HG2      THR   9  -5.434   2.388   2.388
   67   2HG2  THR   9          1HG2      THR   9  -5.753   4.127   4.127
   68   3HG2  THR   9          2HG2      THR   9  -5.114   3.430   3.430
   69    H    TRP  10           H        TRP  10  -0.660   1.106   1.106
   70    HA   TRP  10           HA       TRP  10   1.229   3.408   3.408
   71   1HB   TRP  10          1HB       TRP  10   1.050   2.138   2.138
   72   2HB   TRP  10          2HB       TRP  10   1.486   0.638   0.638
   73    HD1  TRP  10           HD1      TRP  10   4.033   0.466   0.466
   74    HE1  TRP  10           HE1      TRP  10   6.166   1.864   1.864
   75    HE3  TRP  10           HE3      TRP  10   2.014   4.260   4.260
   76    HZ2  TRP  10           HZ2      TRP  10   6.881   4.308   4.308
   77    HZ3  TRP  10           HZ3      TRP  10   3.425   6.167   6.167
   78    HH2  TRP  10           HH2      TRP  10   5.828   6.209   6.209
   79    H    SER  11           H        SER  11   3.263   3.199   3.199
   80    HA   SER  11           HA       SER  11   3.088   1.967   1.967
   81   1HB   SER  11          1HB       SER  11   5.395   3.087   3.087
   82   2HB   SER  11          2HB       SER  11   4.034   4.158   4.158
   83    HG   SER  11           HG       SER  11   5.878   3.012   3.012
   84    H    GLY  12           H        GLY  12   2.842  -0.235  -0.235
   85   1HA   GLY  12          1HA       GLY  12   3.741  -2.370  -2.370
   86   2HA   GLY  12          2HA       GLY  12   5.138  -1.728  -1.728
   87    H    ASN  13           H        ASN  13   6.661  -0.724  -0.724
   88    HA   ASN  13           HA       ASN  13   7.185  -2.193  -2.193
   89   1HB   ASN  13          1HB       ASN  13   8.597  -2.688  -2.688
   90   2HB   ASN  13          2HB       ASN  13   9.329  -1.096  -1.096
   91   1HD2  ASN  13          2HD2      ASN  13  10.232  -0.795  -0.795
   92   2HD2  ASN  13          1HD2      ASN  13  11.020  -2.212  -2.212
   93    H    CYS  14           H        CYS  14   8.049  -1.040  -1.040
   94    HA   CYS  14           HA       CYS  14   7.596   1.919   1.919
   95   1HB   CYS  14          1HB       CYS  14   5.953   0.798   0.798
   96   2HB   CYS  14          2HB       CYS  14   7.166  -0.217  -0.217
   97    H    GLY  15           H        GLY  15   8.795   3.242   3.242
   98   1HA   GLY  15          1HA       GLY  15  11.005   2.164   2.164
   99   2HA   GLY  15          2HA       GLY  15  11.375   3.539   3.539
  100    H    ASN  16           H        ASN  16   9.337   5.141   5.141
  101    HA   ASN  16           HA       ASN  16   9.433   6.317   6.317
  102   1HB   ASN  16          1HB       ASN  16   9.440   7.537   7.537
  103   2HB   ASN  16          2HB       ASN  16   7.710   7.191   7.191
  104   1HD2  ASN  16          2HD2      ASN  16   8.622   9.832   9.832
  105   2HD2  ASN  16          1HD2      ASN  16   8.142  10.554  10.554
  106    H    THR  17           H        THR  17   8.467   4.474   4.474
  107    HA   THR  17           HA       THR  17   5.745   3.914   3.914
  108    HB   THR  17           HB       THR  17   7.496   2.747   2.747
  109    HG1  THR  17           HG1      THR  17   5.166   3.485   3.485
  110   1HG2  THR  17          3HG2      THR  17   8.518   4.684   4.684
  111   2HG2  THR  17          1HG2      THR  17   7.037   4.882   4.882
  112   3HG2  THR  17          2HG2      THR  17   8.002   3.404   3.404
  113    H    ALA  18           H        ALA  18   7.349   6.802   6.802
  114    HA   ALA  18           HA       ALA  18   5.102   7.813   7.813
  115   1HB   ALA  18          1HB       ALA  18   7.418   8.561   8.561
  116   2HB   ALA  18          2HB       ALA  18   7.465   9.322   9.322
  117   3HB   ALA  18          3HB       ALA  18   6.335   9.914   9.914
  118    H    HIS  19           H        HIS  19   5.840   7.695   7.695
  119    HA   HIS  19           HA       HIS  19   3.577   9.496   9.496
  120   1HB   HIS  19          1HB       HIS  19   5.423   9.355   9.355
  121   2HB   HIS  19          2HB       HIS  19   5.110   7.643   7.643
  122    HD1  HIS  19           HD1      HIS  19   4.706   8.259   8.259
  123    HD2  HIS  19           HD2      HIS  19   1.888   9.766   9.766
  124    HE1  HIS  19           HE1      HIS  19   2.565   8.780   8.780
  125    H    CYS  20           H        CYS  20   4.376   5.971   5.971
  126    HA   CYS  20           HA       CYS  20   2.080   4.892   4.892
  127   1HB   CYS  20          1HB       CYS  20   3.875   3.469   3.469
  128   2HB   CYS  20          2HB       CYS  20   3.648   3.886   3.886
  129    H    ASP  21           H        ASP  21   2.475   5.716   5.716
  130    HA   ASP  21           HA       ASP  21  -0.104   4.785   4.785
  131   1HB   ASP  21          1HB       ASP  21   1.590   5.362   5.362
  132   2HB   ASP  21          2HB       ASP  21   1.522   7.067   7.067
  133    H    LYS  22           H        LYS  22   0.944   7.961   7.961
  134    HA   LYS  22           HA       LYS  22  -1.583   9.293   9.293
  135   1HB   LYS  22          1HB       LYS  22   0.430  10.001  10.001
  136   2HB   LYS  22          2HB       LYS  22  -0.851  11.002  11.002
  137   1HG   LYS  22          1HG       LYS  22   0.266  10.926  10.926
  138   2HG   LYS  22          2HG       LYS  22   1.531   9.915   9.915
  139   1HD   LYS  22          1HD       LYS  22   2.237  11.701  11.701
  140   2HD   LYS  22          2HD       LYS  22   0.830  12.688  12.688
  141   1HE   LYS  22          1HE       LYS  22   3.002  13.452  13.452
  142   2HE   LYS  22          2HE       LYS  22   1.651  13.240  13.240
  143   1HZ   LYS  22          1HZ       LYS  22   2.885  10.816  10.816
  144   2HZ   LYS  22          2HZ       LYS  22   4.156  11.917  11.917
  145    H    GLN  23           H        GLN  23   0.061   7.610   7.610
  146    HA   GLN  23           HA       GLN  23  -1.596   8.328   8.328
  147   1HB   GLN  23          1HB       GLN  23   0.689   7.349   7.349
  148   2HB   GLN  23          2HB       GLN  23   0.113   5.863   5.863
  149   1HG   GLN  23          1HG       GLN  23   0.345   5.407   5.407
  150   2HG   GLN  23          2HG       GLN  23  -1.393   5.468   5.468
  151   1HE2  GLN  23          2HE2      GLN  23  -0.757   5.721   5.721
  152   2HE2  GLN  23          1HE2      GLN  23  -0.720   7.390   7.390
  153    H    CYS  24           H        CYS  24  -1.663   5.371   5.371
  154    HA   CYS  24           HA       CYS  24  -3.910   4.062   4.062
  155   1HB   CYS  24          1HB       CYS  24  -2.847   4.190   4.190
  156   2HB   CYS  24          2HB       CYS  24  -4.161   3.124   3.124
  157    H    GLN  25           H        GLN  25  -3.812   6.875   6.875
  158    HA   GLN  25           HA       GLN  25  -6.669   6.659   6.659
  159   1HB   GLN  25          1HB       GLN  25  -4.543   8.679   8.679
  160   2HB   GLN  25          2HB       GLN  25  -6.198   8.602   8.602
  161   1HG   GLN  25          1HG       GLN  25  -5.809   6.404   6.404
  162   2HG   GLN  25          2HG       GLN  25  -4.210   6.299   6.299
  163   1HE2  GLN  25          2HE2      GLN  25  -5.668   6.816   6.816
  164   2HE2  GLN  25          1HE2      GLN  25  -4.474   7.864   7.864
  165    H    ASP  26           H        ASP  26  -4.422   8.545   8.545
  166    HA   ASP  26           HA       ASP  26  -6.113  10.761  10.761
  167   1HB   ASP  26          1HB       ASP  26  -3.606   9.695   9.695
  168   2HB   ASP  26          2HB       ASP  26  -4.401  11.211  11.211
  169    H    TRP  27           H        TRP  27  -4.941   7.935   7.935
  170    HA   TRP  27           HA       TRP  27  -6.781   8.501   8.501
  171   1HB   TRP  27          1HB       TRP  27  -4.752   6.287   6.287
  172   2HB   TRP  27          2HB       TRP  27  -5.815   6.313   6.313
  173    HD1  TRP  27           HD1      TRP  27  -3.646   9.169   9.169
  174    HE1  TRP  27           HE1      TRP  27  -2.053  10.000  10.000
  175    HE3  TRP  27           HE3      TRP  27  -4.902   5.884   5.884
  176    HZ2  TRP  27           HZ2      TRP  27  -1.329   9.243   9.243
  177    HZ3  TRP  27           HZ3      TRP  27  -3.582   5.782   5.782
  178    HH2  TRP  27           HH2      TRP  27  -1.834   7.489   7.489
  179    H    GLU  28           H        GLU  28  -6.126   5.598   5.598
  180    HA   GLU  28           HA       GLU  28  -8.853   4.561   4.561
  181   1HB   GLU  28          1HB       GLU  28  -6.169   3.566   3.566
  182   2HB   GLU  28          2HB       GLU  28  -7.274   3.050   3.050
  183   1HG   GLU  28          1HG       GLU  28  -7.756   2.675   2.675
  184   2HG   GLU  28          2HG       GLU  28  -6.993   1.474   1.474
  185    H    LYS  29           H        LYS  29  -9.261   3.508   3.508
  186    HA   LYS  29           HA       LYS  29  -9.053   5.464   5.464
  187   1HB   LYS  29          1HB       LYS  29 -11.755   5.032   5.032
  188   2HB   LYS  29          2HB       LYS  29 -11.638   5.470   5.470
  189   1HG   LYS  29          1HG       LYS  29 -11.734   7.577   7.577
  190   2HG   LYS  29          2HG       LYS  29 -10.034   7.400   7.400
  191   1HD   LYS  29          1HD       LYS  29 -10.999   6.632   6.632
  192   2HD   LYS  29          2HD       LYS  29 -12.491   7.363   7.363
  193   1HE   LYS  29          1HE       LYS  29 -11.353   9.060   9.060
  194   2HE   LYS  29          2HE       LYS  29 -11.156   9.510   9.510
  195   1HZ   LYS  29          1HZ       LYS  29  -9.127   7.824   7.824
  196   2HZ   LYS  29          2HZ       LYS  29  -9.169   9.455   9.455
  197    H    ALA  30           H        ALA  30  -7.925   3.359   3.359
  198    HA   ALA  30           HA       ALA  30  -9.140   1.396   1.396
  199   1HB   ALA  30          1HB       ALA  30  -6.280   2.128   2.128
  200   2HB   ALA  30          2HB       ALA  30  -6.660   0.806   0.806
  201   3HB   ALA  30          3HB       ALA  30  -7.211   0.726   0.726
  202    H    SER  31           H        SER  31  -8.205   1.501   1.501
  203    HA   SER  31           HA       SER  31  -8.660   4.029   4.029
  204   1HB   SER  31          1HB       SER  31  -7.088   1.637   1.637
  205   2HB   SER  31          2HB       SER  31  -7.658   2.970   2.970
  206    HG   SER  31           HG       SER  31  -9.470   1.466   1.466
  207    H    HIS  32           H        HIS  32  -5.626   2.357   2.357
  208    HA   HIS  32           HA       HIS  32  -4.244   4.818   4.818
  209   1HB   HIS  32          1HB       HIS  32  -2.948   4.965   4.965
  210   2HB   HIS  32          2HB       HIS  32  -4.310   4.217   4.217
  211    HD1  HIS  32           HD1      HIS  32  -0.659   3.693   3.693
  212    HD2  HIS  32           HD2      HIS  32  -4.061   1.437   1.437
  213    HE1  HIS  32           HE1      HIS  32   0.126   1.382   1.382
  214    H    GLY  33           H        GLY  33  -1.635   4.109   4.109
  215   1HA   GLY  33          1HA       GLY  33  -1.428   1.476   1.476
  216   2HA   GLY  33          2HA       GLY  33  -0.863   2.863   2.863
  217    H    ALA  34           H        ALA  34   0.810   0.742   0.742
  218    HA   ALA  34           HA       ALA  34   3.036   2.086   2.086
  219   1HB   ALA  34          1HB       ALA  34   1.761  -0.200  -0.200
  220   2HB   ALA  34          2HB       ALA  34   3.425   0.366   0.366
  221   3HB   ALA  34          3HB       ALA  34   2.069   1.451   1.451
  222    H    CYS  35           H        CYS  35   4.972   1.185   1.185
  223    HA   CYS  35           HA       CYS  35   4.461  -0.848  -0.848
  224   1HB   CYS  35          1HB       CYS  35   6.923   0.743   0.743
  225   2HB   CYS  35          2HB       CYS  35   6.827  -0.465  -0.465
  226    H    HIS  36           H        HIS  36   5.501  -2.927  -2.927
  227    HA   HIS  36           HA       HIS  36   7.282  -3.750  -3.750
  228   1HB   HIS  36          1HB       HIS  36   5.162  -5.677  -5.677
  229   2HB   HIS  36          2HB       HIS  36   6.199  -5.700  -5.700
  230    HD1  HIS  36           HD1      HIS  36   5.498  -2.871  -2.871
  231    HD2  HIS  36           HD2      HIS  36   2.790  -5.479  -5.479
  232    HE1  HIS  36           HE1      HIS  36   3.240  -2.501  -2.501
  233    H    LYS  37           H        LYS  37   8.781  -5.307  -5.307
  234    HA   LYS  37           HA       LYS  37   8.997  -5.832  -5.832
  235   1HB   LYS  37          1HB       LYS  37  10.882  -5.156  -5.156
  236   2HB   LYS  37          2HB       LYS  37  10.822  -6.614  -6.614
  237   1HG   LYS  37          1HG       LYS  37  10.961  -7.778  -7.778
  238   2HG   LYS  37          2HG       LYS  37  11.394  -6.253  -6.253
  239   1HD   LYS  37          1HD       LYS  37  12.953  -7.308  -7.308
  240   2HD   LYS  37          2HD       LYS  37  13.138  -8.167  -8.167
  241   1HE   LYS  37          1HE       LYS  37  13.539  -5.646  -5.646
  242   2HE   LYS  37          2HE       LYS  37  14.046  -5.433  -5.433
  243   1HZ   LYS  37          1HZ       LYS  37  15.094  -7.778  -7.778
  244   2HZ   LYS  37          2HZ       LYS  37  15.564  -6.342  -6.342
  245    H    ARG  38           H        ARG  38   8.124  -7.529  -7.529
  246    HA   ARG  38           HA       ARG  38   7.766 -10.116 -10.116
  247   1HB   ARG  38          1HB       ARG  38   5.704  -8.661  -8.661
  248   2HB   ARG  38          2HB       ARG  38   5.750  -8.586  -8.586
  249   1HG   ARG  38          1HG       ARG  38   4.106 -10.144 -10.144
  250   2HG   ARG  38          2HG       ARG  38   5.405 -11.060 -11.060
  251   1HD   ARG  38          1HD       ARG  38   5.332 -10.680 -10.680
  252   2HD   ARG  38          2HD       ARG  38   4.226 -11.844 -11.844
  253   1HH1  ARG  38          1HH2      ARG  38   5.529 -12.121 -12.121
  254   2HH1  ARG  38          2HH2      ARG  38   6.530 -13.374 -13.374
  255   1HH2  ARG  38          1HH1      ARG  38   7.827 -14.290 -14.290
  256   2HH2  ARG  38          2HH1      ARG  38   7.899 -14.661 -14.661
  257    H    GLU  39           H        GLU  39   8.613 -11.727 -11.727
  258    HA   GLU  39           HA       GLU  39   9.909 -12.570 -12.570
  259   1HB   GLU  39          1HB       GLU  39   7.846 -11.409 -11.409
  260   2HB   GLU  39          2HB       GLU  39   8.855 -12.848 -12.848
  261   1HG   GLU  39          1HG       GLU  39   6.468 -12.460 -12.460
  262   2HG   GLU  39          2HG       GLU  39   6.642 -13.607 -13.607
  263    H    ASN  40           H        ASN  40  11.072 -10.491 -10.491
  264    HA   ASN  40           HA       ASN  40  12.537  -8.880  -8.880
  265   1HB   ASN  40          1HB       ASN  40  13.427 -10.520 -10.520
  266   2HB   ASN  40          2HB       ASN  40  12.645  -9.523  -9.523
  267   1HD2  ASN  40          2HD2      ASN  40  14.613  -8.770  -8.770
  268   2HD2  ASN  40          1HD2      ASN  40  15.765  -7.760  -7.760
  269    H    HIS  41           H        HIS  41   9.535  -8.456  -8.456
  270    HA   HIS  41           HA       HIS  41  10.155  -5.824  -5.824
  271   1HB   HIS  41          1HB       HIS  41   7.812  -7.713  -7.713
  272   2HB   HIS  41          2HB       HIS  41   7.779  -6.069  -6.069
  273    HD1  HIS  41           HD1      HIS  41  10.063  -5.453  -5.453
  274    HD2  HIS  41           HD2      HIS  41   8.870  -9.495  -9.495
  275    HE1  HIS  41           HE1      HIS  41  11.271  -6.790  -6.790
  276    H    TRP  42           H        TRP  42   9.951  -4.143  -4.143
  277    HA   TRP  42           HA       TRP  42   8.332  -3.957  -3.957
  278   1HB   TRP  42          1HB       TRP  42   9.820  -2.003  -2.003
  279   2HB   TRP  42          2HB       TRP  42   8.834  -1.513  -1.513
  280    HD1  TRP  42           HD1      TRP  42  12.018  -3.431  -3.431
  281    HE1  TRP  42           HE1      TRP  42  13.422  -3.589  -3.589
  282    HE3  TRP  42           HE3      TRP  42   8.520  -1.881  -1.881
  283    HZ2  TRP  42           HZ2      TRP  42  12.898  -3.550  -3.550
  284    HZ3  TRP  42           HZ3      TRP  42   8.986  -1.901  -1.901
  285    HH2  TRP  42           HH2      TRP  42  11.175  -2.764  -2.764
  286    H    LYS  43           H        LYS  43   6.145  -4.400  -4.400
  287    HA   LYS  43           HA       LYS  43   4.791  -2.985  -2.985
  288   1HB   LYS  43          1HB       LYS  43   3.271  -4.637  -4.637
  289   2HB   LYS  43          2HB       LYS  43   2.998  -4.407  -4.407
  290   1HG   LYS  43          1HG       LYS  43   5.126  -6.031  -6.031
  291   2HG   LYS  43          2HG       LYS  43   3.848  -6.734  -6.734
  292   1HD   LYS  43          1HD       LYS  43   5.967  -5.116  -5.116
  293   2HD   LYS  43          2HD       LYS  43   5.851  -6.865  -6.865
  294   1HE   LYS  43          1HE       LYS  43   5.022  -6.388  -6.388
  295   2HE   LYS  43          2HE       LYS  43   3.610  -6.811  -6.811
  296   1HZ   LYS  43          1HZ       LYS  43   4.045  -4.566  -4.566
  297   2HZ   LYS  43          2HZ       LYS  43   2.726  -4.877  -4.877
  298    H    CYS  44           H        CYS  44   3.411  -1.255  -1.255
  299    HA   CYS  44           HA       CYS  44   3.303  -0.160  -0.160
  300   1HB   CYS  44          1HB       CYS  44   3.471   1.417   1.417
  301   2HB   CYS  44          2HB       CYS  44   2.220   0.654   0.654
  302    H    PHE  45           H        PHE  45   2.094  -1.484  -1.484
  303    HA   PHE  45           HA       PHE  45  -0.282  -2.844  -2.844
  304   1HB   PHE  45          1HB       PHE  45   1.167  -2.925  -2.925
  305   2HB   PHE  45          2HB       PHE  45  -0.409  -3.617  -3.617
  306    HD1  PHE  45           HD1      PHE  45   3.033  -3.828  -3.828
  307    HD2  PHE  45           HD2      PHE  45  -0.741  -5.802  -5.802
  308    HE1  PHE  45           HE1      PHE  45   4.065  -5.996  -5.996
  309    HE2  PHE  45           HE2      PHE  45   0.286  -7.965  -7.965
  310    HZ   PHE  45           HZ       PHE  45   2.689  -8.075  -8.075
  311    H    CYS  46           H        CYS  46  -2.370  -2.306  -2.306
  312    HA   CYS  46           HA       CYS  46  -2.781   0.241   0.241
  313   1HB   CYS  46          1HB       CYS  46  -4.488  -0.962  -0.962
  314   2HB   CYS  46          2HB       CYS  46  -4.764   0.527   0.527
  315    H    TYR  47           H        TYR  47  -4.341   0.203   0.203
  316    HA   TYR  47           HA       TYR  47  -5.003  -2.525  -2.525
  317   1HB   TYR  47          1HB       TYR  47  -4.223   0.188   0.188
  318   2HB   TYR  47          2HB       TYR  47  -4.898  -0.990  -0.990
  319    HD1  TYR  47           HD2      TYR  47  -2.034  -0.556  -0.556
  320    HD2  TYR  47           HD1      TYR  47  -3.521  -2.457  -2.457
  321    HE1  TYR  47           HE2      TYR  47   0.181  -1.547  -1.547
  322    HE2  TYR  47           HE1      TYR  47  -1.256  -3.278  -3.278
  323    HH   TYR  47           HH       TYR  47   0.866  -3.510  -3.510
  324    H    PHE  48           H        PHE  48  -7.159  -2.846  -2.846
  325    HA   PHE  48           HA       PHE  48  -8.524  -0.548  -0.548
  326   1HB   PHE  48          1HB       PHE  48  -8.877  -3.456  -3.456
  327   2HB   PHE  48          2HB       PHE  48 -10.341  -2.516  -2.516
  328    HD1  PHE  48           HD1      PHE  48  -6.956  -2.967  -2.967
  329    HD2  PHE  48           HD2      PHE  48 -10.774  -0.976  -0.976
  330    HE1  PHE  48           HE1      PHE  48  -6.312  -2.074  -2.074
  331    HE2  PHE  48           HE2      PHE  48 -10.112  -0.080  -0.080
  332    HZ   PHE  48           HZ       PHE  48  -7.862  -0.600  -0.600
  333    H    ASN  49           H        ASN  49 -10.425  -2.908  -2.908
  334    HA   ASN  49           HA       ASN  49 -11.859  -0.555  -0.555
  335   1HB   ASN  49          1HB       ASN  49 -13.534  -2.245  -2.245
  336   2HB   ASN  49          2HB       ASN  49 -13.364  -2.040  -2.040
  337   1HD2  ASN  49          2HD2      ASN  49 -12.261  -3.671  -3.671
  338   2HD2  ASN  49          1HD2      ASN  49 -12.157  -5.314  -5.314
  339    H    CYS  50           H        CYS  50  -9.433  -0.583  -0.583
  340    HA   CYS  50           HA       CYS  50  -9.040  -2.203  -2.203
  341   1HB   CYS  50          1HB       CYS  50  -7.210  -1.406  -1.406
  342   2HB   CYS  50          2HB       CYS  50  -7.516   0.197   0.197

  Start of MODEL   10
    1   1H    LEU   1          3H        LEU   1 -11.430  -6.145  -6.145
    2   2H    LEU   1          1H        LEU   1 -11.812  -5.934  -5.934
    3   3H    LEU   1          2H        LEU   1 -11.348  -4.614  -4.614
    4    HA   LEU   1           HA       LEU   1  -9.583  -5.252  -5.252
    5   1HB   LEU   1          1HB       LEU   1 -10.262  -7.641  -7.641
    6   2HB   LEU   1          2HB       LEU   1  -9.798  -7.928  -7.928
    7    HG   LEU   1           HG       LEU   1  -7.420  -7.434  -7.434
    8   1HD1  LEU   1          1HD1      LEU   1  -8.486  -7.237  -7.237
    9   2HD1  LEU   1          2HD1      LEU   1  -6.775  -7.351  -7.351
   10   3HD1  LEU   1          3HD1      LEU   1  -7.706  -5.923  -5.923
   11   1HD2  LEU   1          1HD2      LEU   1  -8.290  -9.734  -9.734
   12   2HD2  LEU   1          2HD2      LEU   1  -7.034  -9.493  -9.493
   13   3HD2  LEU   1          3HD2      LEU   1  -8.745  -9.540  -9.540
   14    H    CYS   2           H        CYS   2  -7.365  -4.979  -4.979
   15    HA   CYS   2           HA       CYS   2  -7.372  -3.416  -3.416
   16   1HB   CYS   2          1HB       CYS   2  -4.866  -4.432  -4.432
   17   2HB   CYS   2          2HB       CYS   2  -5.116  -2.898  -2.898
   18    H    ASN   3           H        ASN   3  -8.206  -4.581  -4.581
   19    HA   ASN   3           HA       ASN   3  -7.030  -6.974  -6.974
   20   1HB   ASN   3          1HB       ASN   3  -9.412  -6.595  -6.595
   21   2HB   ASN   3          2HB       ASN   3  -9.145  -5.007  -5.007
   22   1HD2  ASN   3          2HD2      ASN   3  -7.844  -8.279  -8.279
   23   2HD2  ASN   3          1HD2      ASN   3  -8.361  -8.230  -8.230
   24    H    GLU   4           H        GLU   4  -4.868  -6.568  -6.568
   25    HA   GLU   4           HA       GLU   4  -3.967  -4.316  -4.316
   26   1HB   GLU   4          1HB       GLU   4  -2.672  -5.590  -5.590
   27   2HB   GLU   4          2HB       GLU   4  -2.695  -7.006  -7.006
   28   1HG   GLU   4          1HG       GLU   4  -1.679  -5.636  -5.636
   29   2HG   GLU   4          2HG       GLU   4  -1.440  -4.286  -4.286
   30    H    ARG   5           H        ARG   5  -4.600  -4.106  -4.106
   31    HA   ARG   5           HA       ARG   5  -4.632  -6.491  -6.491
   32   1HB   ARG   5          1HB       ARG   5  -6.737  -4.472  -4.472
   33   2HB   ARG   5          2HB       ARG   5  -6.286  -4.614  -4.614
   34   1HG   ARG   5          1HG       ARG   5  -6.495  -7.114  -7.114
   35   2HG   ARG   5          2HG       ARG   5  -7.047  -6.891  -6.891
   36   1HD   ARG   5          1HD       ARG   5  -8.427  -5.706  -5.706
   37   2HD   ARG   5          2HD       ARG   5  -8.848  -7.251  -7.251
   38   1HH1  ARG   5          1HH2      ARG   5  -9.079  -3.813  -3.813
   39   2HH1  ARG   5          2HH2      ARG   5  -9.871  -2.572  -2.572
   40   1HH2  ARG   5          1HH1      ARG   5 -10.615  -4.699  -4.699
   41   2HH2  ARG   5          2HH1      ARG   5 -11.030  -3.171  -3.171
   42    HA   PRO   6           HA       PRO   6  -1.496  -5.186  -5.186
   43   1HB   PRO   6          1HB       PRO   6  -1.608  -5.795  -5.795
   44   2HB   PRO   6          2HB       PRO   6  -1.638  -6.994  -6.994
   45   1HG   PRO   6          1HG       PRO   6  -4.020  -5.725  -5.725
   46   2HG   PRO   6          2HG       PRO   6  -3.705  -7.470  -7.470
   47   1HD   PRO   6          1HD       PRO   6  -5.289  -6.132  -6.132
   48   2HD   PRO   6          2HD       PRO   6  -4.072  -7.279  -7.279
   49    H    SER   7           H        SER   7  -0.204  -3.995  -3.995
   50    HA   SER   7           HA       SER   7  -0.993  -1.226  -1.226
   51   1HB   SER   7          1HB       SER   7   0.706  -1.370  -1.370
   52   2HB   SER   7          2HB       SER   7   1.325  -1.679  -1.679
   53    HG   SER   7           HG       SER   7   0.508  -3.682  -3.682
   54    H    GLN   8           H        GLN   8  -2.998  -0.989  -0.989
   55    HA   GLN   8           HA       GLN   8  -3.658  -2.419  -2.419
   56   1HB   GLN   8          1HB       GLN   8  -5.109  -0.158  -0.158
   57   2HB   GLN   8          2HB       GLN   8  -5.700  -1.129  -1.129
   58   1HG   GLN   8          1HG       GLN   8  -5.633  -3.162  -3.162
   59   2HG   GLN   8          2HG       GLN   8  -5.034  -2.179  -2.179
   60   1HE2  GLN   8          2HE2      GLN   8  -7.843  -2.604  -2.604
   61   2HE2  GLN   8          1HE2      GLN   8  -8.995  -1.867  -1.867
   62    H    THR   9           H        THR   9  -3.225   0.997   0.997
   63    HA   THR   9           HA       THR   9  -2.982   2.018   2.018
   64    HB   THR   9           HB       THR   9  -2.237   4.079   4.079
   65    HG1  THR   9           HG1      THR   9  -2.957   2.763   2.763
   66   1HG2  THR   9          3HG2      THR   9  -4.832   2.735   2.735
   67   2HG2  THR   9          1HG2      THR   9  -4.408   4.411   4.411
   68   3HG2  THR   9          2HG2      THR   9  -4.571   3.890   3.890
   69    H    TRP  10           H        TRP  10  -0.829   1.722   1.722
   70    HA   TRP  10           HA       TRP  10   1.478   2.697   2.697
   71   1HB   TRP  10          1HB       TRP  10   0.861   2.472   2.472
   72   2HB   TRP  10          2HB       TRP  10   1.250   0.765   0.765
   73    HD1  TRP  10           HD1      TRP  10   3.985   0.335   0.335
   74    HE1  TRP  10           HE1      TRP  10   6.066   1.577   1.577
   75    HE3  TRP  10           HE3      TRP  10   1.775   4.642   4.642
   76    HZ2  TRP  10           HZ2      TRP  10   6.591   3.922   3.922
   77    HZ3  TRP  10           HZ3      TRP  10   3.035   6.240   6.240
   78    HH2  TRP  10           HH2      TRP  10   5.362   5.832   5.832
   79    H    SER  11           H        SER  11   1.371   1.473   1.473
   80    HA   SER  11           HA       SER  11   2.000  -1.334  -1.334
   81   1HB   SER  11          1HB       SER  11   1.907   0.658   0.658
   82   2HB   SER  11          2HB       SER  11   1.852  -1.107  -1.107
   83    HG   SER  11           HG       SER  11  -0.070   0.511   0.511
   84    H    GLY  12           H        GLY  12   3.986  -0.707  -0.707
   85   1HA   GLY  12          1HA       GLY  12   6.313  -1.374  -1.374
   86   2HA   GLY  12          2HA       GLY  12   6.345   0.324   0.324
   87    H    ASN  13           H        ASN  13   8.299  -0.548  -0.548
   88    HA   ASN  13           HA       ASN  13   7.921  -2.096  -2.096
   89   1HB   ASN  13          1HB       ASN  13  10.029  -1.966  -1.966
   90   2HB   ASN  13          2HB       ASN  13  10.370  -0.441  -0.441
   91   1HD2  ASN  13          2HD2      ASN  13  10.620  -0.603  -0.603
   92   2HD2  ASN  13          1HD2      ASN  13  11.328  -2.093  -2.093
   93    H    CYS  14           H        CYS  14   8.456  -1.035  -1.035
   94    HA   CYS  14           HA       CYS  14   7.393   1.750   1.750
   95   1HB   CYS  14          1HB       CYS  14   6.073  -0.195  -0.195
   96   2HB   CYS  14          2HB       CYS  14   7.324  -0.429  -0.429
   97    H    GLY  15           H        GLY  15   8.178   2.951   2.951
   98   1HA   GLY  15          1HA       GLY  15  10.581   2.325   2.325
   99   2HA   GLY  15          2HA       GLY  15  10.917   3.430   3.430
  100    H    ASN  16           H        ASN  16   8.951   5.056   5.056
  101    HA   ASN  16           HA       ASN  16   8.920   6.706   6.706
  102   1HB   ASN  16          1HB       ASN  16   9.022   7.558   7.558
  103   2HB   ASN  16          2HB       ASN  16   7.323   7.111   7.111
  104   1HD2  ASN  16          2HD2      ASN  16   8.197   9.774   9.774
  105   2HD2  ASN  16          1HD2      ASN  16   7.579  10.708  10.708
  106    H    THR  17           H        THR  17   7.992   4.860   4.860
  107    HA   THR  17           HA       THR  17   5.321   4.097   4.097
  108    HB   THR  17           HB       THR  17   7.153   3.162   3.162
  109    HG1  THR  17           HG1      THR  17   4.718   3.569   3.569
  110   1HG2  THR  17          2HG2      THR  17   7.843   5.230   5.230
  111   2HG2  THR  17          3HG2      THR  17   6.281   5.255   5.255
  112   3HG2  THR  17          1HG2      THR  17   7.408   3.912   3.912
  113    H    ALA  18           H        ALA  18   6.738   7.082   7.082
  114    HA   ALA  18           HA       ALA  18   4.442   8.175   8.175
  115   1HB   ALA  18          1HB       ALA  18   6.730   9.012   9.012
  116   2HB   ALA  18          2HB       ALA  18   6.796   9.597   9.597
  117   3HB   ALA  18          3HB       ALA  18   5.641  10.306  10.306
  118    H    HIS  19           H        HIS  19   5.316   7.949   7.949
  119    HA   HIS  19           HA       HIS  19   2.986   9.600   9.600
  120   1HB   HIS  19          1HB       HIS  19   4.890   9.478   9.478
  121   2HB   HIS  19          2HB       HIS  19   4.666   7.753   7.753
  122    HD1  HIS  19           HD1      HIS  19   4.342   8.266   8.266
  123    HD2  HIS  19           HD2      HIS  19   1.339   9.705   9.705
  124    HE1  HIS  19           HE1      HIS  19   2.215   8.575   8.575
  125    H    CYS  20           H        CYS  20   3.955   6.121   6.121
  126    HA   CYS  20           HA       CYS  20   1.759   4.917   4.917
  127   1HB   CYS  20          1HB       CYS  20   3.651   3.590   3.590
  128   2HB   CYS  20          2HB       CYS  20   3.193   3.987   3.987
  129    H    ASP  21           H        ASP  21   1.972   5.935   5.935
  130    HA   ASP  21           HA       ASP  21  -0.585   4.962   4.962
  131   1HB   ASP  21          1HB       ASP  21   0.996   5.819   5.819
  132   2HB   ASP  21          2HB       ASP  21   0.989   7.424   7.424
  133    H    LYS  22           H        LYS  22   0.378   8.160   8.160
  134    HA   LYS  22           HA       LYS  22  -2.189   9.431   9.431
  135   1HB   LYS  22          1HB       LYS  22  -0.102  10.083  10.083
  136   2HB   LYS  22          2HB       LYS  22  -1.435  11.097  11.097
  137   1HG   LYS  22          1HG       LYS  22  -0.421  11.122  11.122
  138   2HG   LYS  22          2HG       LYS  22   0.892  10.112  10.112
  139   1HD   LYS  22          1HD       LYS  22   1.615  11.868  11.868
  140   2HD   LYS  22          2HD       LYS  22   0.192  12.853  12.853
  141   1HE   LYS  22          1HE       LYS  22   2.352  13.614  13.614
  142   2HE   LYS  22          2HE       LYS  22   0.955  13.441  13.441
  143   1HZ   LYS  22          1HZ       LYS  22   2.167  10.997  10.997
  144   2HZ   LYS  22          2HZ       LYS  22   3.441  12.094  12.094
  145    H    GLN  23           H        GLN  23  -0.450   7.845   7.845
  146    HA   GLN  23           HA       GLN  23  -2.150   8.041   8.041
  147   1HB   GLN  23          1HB       GLN  23   0.193   7.180   7.180
  148   2HB   GLN  23          2HB       GLN  23  -0.292   5.870   5.870
  149   1HG   GLN  23          1HG       GLN  23  -0.123   4.740   4.740
  150   2HG   GLN  23          2HG       GLN  23  -1.839   5.074   5.074
  151   1HE2  GLN  23          2HE2      GLN  23  -0.948   4.482   4.482
  152   2HE2  GLN  23          1HE2      GLN  23  -0.588   5.920   5.920
  153    H    CYS  24           H        CYS  24  -1.943   5.388   5.388
  154    HA   CYS  24           HA       CYS  24  -4.148   3.905   3.905
  155   1HB   CYS  24          1HB       CYS  24  -2.748   4.191   4.191
  156   2HB   CYS  24          2HB       CYS  24  -4.070   3.061   3.061
  157    H    GLN  25           H        GLN  25  -4.119   6.719   6.719
  158    HA   GLN  25           HA       GLN  25  -6.889   6.252   6.252
  159   1HB   GLN  25          1HB       GLN  25  -4.951   8.540   8.540
  160   2HB   GLN  25          2HB       GLN  25  -6.575   8.423   8.423
  161   1HG   GLN  25          1HG       GLN  25  -6.029   6.386   6.386
  162   2HG   GLN  25          2HG       GLN  25  -4.462   6.272   6.272
  163   1HE2  GLN  25          2HE2      GLN  25  -5.763   6.967   6.967
  164   2HE2  GLN  25          1HE2      GLN  25  -4.650   8.201   8.201
  165    H    ASP  26           H        ASP  26  -5.122   8.273   8.273
  166    HA   ASP  26           HA       ASP  26  -7.382  10.013  10.013
  167   1HB   ASP  26          1HB       ASP  26  -4.543   9.886   9.886
  168   2HB   ASP  26          2HB       ASP  26  -5.745  11.099  11.099
  169    H    TRP  27           H        TRP  27  -5.233   7.836   7.836
  170    HA   TRP  27           HA       TRP  27  -6.758   8.203   8.203
  171   1HB   TRP  27          1HB       TRP  27  -4.473   6.324   6.324
  172   2HB   TRP  27          2HB       TRP  27  -5.247   6.311   6.311
  173    HD1  TRP  27           HD1      TRP  27  -4.173   9.533   9.533
  174    HE1  TRP  27           HE1      TRP  27  -2.284  10.657  10.657
  175    HE3  TRP  27           HE3      TRP  27  -3.658   6.104   6.104
  176    HZ2  TRP  27           HZ2      TRP  27  -0.636  10.046  10.046
  177    HZ3  TRP  27           HZ3      TRP  27  -1.873   6.345   6.345
  178    HH2  TRP  27           HH2      TRP  27  -0.339   8.264   8.264
  179    H    GLU  28           H        GLU  28  -5.913   5.446   5.446
  180    HA   GLU  28           HA       GLU  28  -8.420   3.948   3.948
  181   1HB   GLU  28          1HB       GLU  28  -5.872   3.466   3.466
  182   2HB   GLU  28          2HB       GLU  28  -7.240   2.395   2.395
  183   1HG   GLU  28          1HG       GLU  28  -7.192   1.729   1.729
  184   2HG   GLU  28          2HG       GLU  28  -6.120   3.060   3.060
  185    H    LYS  29           H        LYS  29  -8.840   3.223   3.223
  186    HA   LYS  29           HA       LYS  29  -9.150   5.532   5.532
  187   1HB   LYS  29          1HB       LYS  29 -11.417   4.398   4.398
  188   2HB   LYS  29          2HB       LYS  29 -11.795   4.860   4.860
  189   1HG   LYS  29          1HG       LYS  29 -11.828   7.001   7.001
  190   2HG   LYS  29          2HG       LYS  29 -10.338   7.059   7.059
  191   1HD   LYS  29          1HD       LYS  29 -12.957   5.982   5.982
  192   2HD   LYS  29          2HD       LYS  29 -12.538   7.702   7.702
  193   1HE   LYS  29          1HE       LYS  29 -10.937   5.445   5.445
  194   2HE   LYS  29          2HE       LYS  29 -12.081   6.497   6.497
  195   1HZ   LYS  29          1HZ       LYS  29  -9.550   7.000   7.000
  196   2HZ   LYS  29          2HZ       LYS  29 -10.690   8.237   8.237
  197    H    ALA  30           H        ALA  30  -7.674   3.966   3.966
  198    HA   ALA  30           HA       ALA  30  -8.943   1.779   1.779
  199   1HB   ALA  30          1HB       ALA  30  -6.947   1.295   1.295
  200   2HB   ALA  30          2HB       ALA  30  -6.037   2.536   2.536
  201   3HB   ALA  30          3HB       ALA  30  -6.582   1.065   1.065
  202    H    SER  31           H        SER  31  -7.830   1.674   1.674
  203    HA   SER  31           HA       SER  31  -8.476   4.003   4.003
  204   1HB   SER  31          1HB       SER  31  -6.788   1.562   1.562
  205   2HB   SER  31          2HB       SER  31  -7.152   2.777   2.777
  206    HG   SER  31           HG       SER  31  -9.148   1.325   1.325
  207    H    HIS  32           H        HIS  32  -5.466   2.662   2.662
  208    HA   HIS  32           HA       HIS  32  -3.988   5.003   5.003
  209   1HB   HIS  32          1HB       HIS  32  -2.376   4.444   4.444
  210   2HB   HIS  32          2HB       HIS  32  -3.839   5.370   5.370
  211    HD1  HIS  32           HD1      HIS  32  -4.697   4.660   4.660
  212    HD2  HIS  32           HD2      HIS  32  -3.444   1.626   1.626
  213    HE1  HIS  32           HE1      HIS  32  -5.234   2.412   2.412
  214    H    GLY  33           H        GLY  33  -1.512   4.222   4.222
  215   1HA   GLY  33          1HA       GLY  33  -1.442   1.498   1.498
  216   2HA   GLY  33          2HA       GLY  33  -1.191   2.842   2.842
  217    H    ALA  34           H        ALA  34   0.722   0.812   0.812
  218    HA   ALA  34           HA       ALA  34   2.963   2.466   2.466
  219   1HB   ALA  34          1HB       ALA  34   2.404   0.228   0.228
  220   2HB   ALA  34          2HB       ALA  34   3.986   1.004   1.004
  221   3HB   ALA  34          3HB       ALA  34   2.591   1.943   1.943
  222    H    CYS  35           H        CYS  35   5.071   1.258   1.258
  223    HA   CYS  35           HA       CYS  35   4.926  -0.537  -0.537
  224   1HB   CYS  35          1HB       CYS  35   7.208   0.339   0.339
  225   2HB   CYS  35          2HB       CYS  35   7.365  -0.604  -0.604
  226    H    HIS  36           H        HIS  36   5.424  -2.850  -2.850
  227    HA   HIS  36           HA       HIS  36   6.591  -4.008  -4.008
  228   1HB   HIS  36          1HB       HIS  36   4.337  -5.616  -5.616
  229   2HB   HIS  36          2HB       HIS  36   4.936  -5.523  -5.523
  230    HD1  HIS  36           HD1      HIS  36   3.838  -3.605  -3.605
  231    HD2  HIS  36           HD2      HIS  36   2.621  -3.703  -3.703
  232    HE1  HIS  36           HE1      HIS  36   1.965  -1.909  -1.909
  233    H    LYS  37           H        LYS  37   7.833  -5.900  -5.900
  234    HA   LYS  37           HA       LYS  37   8.449  -6.147  -6.147
  235   1HB   LYS  37          1HB       LYS  37  10.169  -6.035  -6.035
  236   2HB   LYS  37          2HB       LYS  37   9.682  -7.585  -7.585
  237   1HG   LYS  37          1HG       LYS  37  10.022  -8.345  -8.345
  238   2HG   LYS  37          2HG       LYS  37  10.819  -6.842  -6.842
  239   1HD   LYS  37          1HD       LYS  37  11.764  -8.499  -8.499
  240   2HD   LYS  37          2HD       LYS  37  12.016  -9.200  -9.200
  241   1HE   LYS  37          1HE       LYS  37  13.032  -6.730  -6.730
  242   2HE   LYS  37          2HE       LYS  37  13.251  -6.767  -6.767
  243   1HZ   LYS  37          1HZ       LYS  37  14.127  -9.175  -9.175
  244   2HZ   LYS  37          2HZ       LYS  37  14.840  -7.865  -7.865
  245    H    ARG  38           H        ARG  38   7.757  -7.606  -7.606
  246    HA   ARG  38           HA       ARG  38   6.617 -10.222 -10.222
  247   1HB   ARG  38          1HB       ARG  38   5.479  -8.142  -8.142
  248   2HB   ARG  38          2HB       ARG  38   4.852  -9.785  -9.785
  249   1HG   ARG  38          1HG       ARG  38   4.831  -7.606  -7.606
  250   2HG   ARG  38          2HG       ARG  38   3.481  -8.049  -8.049
  251   1HD   ARG  38          1HD       ARG  38   3.596 -10.391 -10.391
  252   2HD   ARG  38          2HD       ARG  38   4.806  -9.825  -9.825
  253   1HH1  ARG  38          1HH1      ARG  38   3.329 -11.496 -11.496
  254   2HH1  ARG  38          2HH1      ARG  38   2.111 -11.749 -11.749
  255   1HH2  ARG  38          1HH2      ARG  38   0.987  -8.360  -8.360
  256   2HH2  ARG  38          2HH2      ARG  38   0.723  -9.924  -9.924
  257    H    GLU  39           H        GLU  39   7.508 -11.780 -11.780
  258    HA   GLU  39           HA       GLU  39   9.168 -12.590 -12.590
  259   1HB   GLU  39          1HB       GLU  39   7.438 -10.973 -10.973
  260   2HB   GLU  39          2HB       GLU  39   8.538 -12.293 -12.293
  261   1HG   GLU  39          1HG       GLU  39   6.427 -13.316 -13.316
  262   2HG   GLU  39          2HG       GLU  39   7.194 -13.793 -13.793
  263    H    ASN  40           H        ASN  40  10.447 -10.871 -10.871
  264    HA   ASN  40           HA       ASN  40  12.159  -9.538  -9.538
  265   1HB   ASN  40          1HB       ASN  40  13.109 -10.996 -10.996
  266   2HB   ASN  40          2HB       ASN  40  12.619  -9.760  -9.760
  267   1HD2  ASN  40          2HD2      ASN  40  14.742  -9.036  -9.036
  268   2HD2  ASN  40          1HD2      ASN  40  15.869  -8.335  -8.335
  269    H    HIS  41           H        HIS  41   9.578  -8.414  -8.414
  270    HA   HIS  41           HA       HIS  41  10.767  -5.744  -5.744
  271   1HB   HIS  41          1HB       HIS  41   8.334  -7.166  -7.166
  272   2HB   HIS  41          2HB       HIS  41   8.656  -5.454  -5.454
  273    HD1  HIS  41           HD1      HIS  41  11.219  -4.943  -4.943
  274    HD2  HIS  41           HD2      HIS  41   9.550  -8.778  -8.778
  275    HE1  HIS  41           HE1      HIS  41  12.698  -6.160  -6.160
  276    H    TRP  42           H        TRP  42  10.203  -4.054  -4.054
  277    HA   TRP  42           HA       TRP  42   8.205  -4.273  -4.273
  278   1HB   TRP  42          1HB       TRP  42  10.035  -2.079  -2.079
  279   2HB   TRP  42          2HB       TRP  42   8.820  -1.866  -1.866
  280    HD1  TRP  42           HD1      TRP  42  11.885  -4.036  -4.036
  281    HE1  TRP  42           HE1      TRP  42  12.921  -4.784  -4.784
  282    HE3  TRP  42           HE3      TRP  42   8.243  -2.453  -2.453
  283    HZ2  TRP  42           HZ2      TRP  42  12.113  -4.917  -4.917
  284    HZ3  TRP  42           HZ3      TRP  42   8.421  -2.764  -2.764
  285    HH2  TRP  42           HH2      TRP  42  10.317  -4.079  -4.079
  286    H    LYS  43           H        LYS  43   6.042  -4.076  -4.076
  287    HA   LYS  43           HA       LYS  43   5.174  -2.335  -2.335
  288   1HB   LYS  43          1HB       LYS  43   3.714  -4.575  -4.575
  289   2HB   LYS  43          2HB       LYS  43   3.265  -3.808  -3.808
  290   1HG   LYS  43          1HG       LYS  43   5.705  -5.504  -5.504
  291   2HG   LYS  43          2HG       LYS  43   4.323  -6.119  -6.119
  292   1HD   LYS  43          1HD       LYS  43   6.069  -3.933  -3.933
  293   2HD   LYS  43          2HD       LYS  43   6.153  -5.653  -5.653
  294   1HE   LYS  43          1HE       LYS  43   4.990  -4.863  -4.863
  295   2HE   LYS  43          2HE       LYS  43   3.717  -5.559  -5.559
  296   1HZ   LYS  43          1HZ       LYS  43   4.022  -2.952  -2.952
  297   2HZ   LYS  43          2HZ       LYS  43   2.716  -3.608  -3.608
  298    H    CYS  44           H        CYS  44   3.667  -0.803  -0.803
  299    HA   CYS  44           HA       CYS  44   3.017  -0.008  -0.008
  300   1HB   CYS  44          1HB       CYS  44   3.305   1.667   1.667
  301   2HB   CYS  44          2HB       CYS  44   2.134   0.864   0.864
  302    H    PHE  45           H        PHE  45   1.644  -1.592  -1.592
  303    HA   PHE  45           HA       PHE  45  -0.807  -2.414  -2.414
  304   1HB   PHE  45          1HB       PHE  45   0.379  -3.888  -3.888
  305   2HB   PHE  45          2HB       PHE  45  -1.104  -4.071  -4.071
  306    HD1  PHE  45           HD2      PHE  45   1.171  -3.620  -3.620
  307    HD2  PHE  45           HD1      PHE  45  -0.226  -6.484  -6.484
  308    HE1  PHE  45           HE2      PHE  45   1.632  -5.475  -5.475
  309    HE2  PHE  45           HE1      PHE  45   0.352  -8.325  -8.325
  310    HZ   PHE  45           HZ       PHE  45   1.266  -7.821  -7.821
  311    H    CYS  46           H        CYS  46  -2.710  -2.013  -2.013
  312    HA   CYS  46           HA       CYS  46  -2.599   0.226   0.226
  313   1HB   CYS  46          1HB       CYS  46  -4.838  -0.620  -0.620
  314   2HB   CYS  46          2HB       CYS  46  -4.675   0.884   0.884
  315    H    TYR  47           H        TYR  47  -4.010   0.201   0.201
  316    HA   TYR  47           HA       TYR  47  -5.040  -2.509  -2.509
  317   1HB   TYR  47          1HB       TYR  47  -4.429  -0.019  -0.019
  318   2HB   TYR  47          2HB       TYR  47  -5.024  -1.507  -1.507
  319    HD1  TYR  47           HD2      TYR  47  -3.647  -3.580  -3.580
  320    HD2  TYR  47           HD1      TYR  47  -2.038   0.206   0.206
  321    HE1  TYR  47           HE2      TYR  47  -1.360  -4.432  -4.432
  322    HE2  TYR  47           HE1      TYR  47   0.246  -0.640  -0.640
  323    HH   TYR  47           HH       TYR  47   0.850  -3.899  -3.899
  324    H    PHE  48           H        PHE  48  -7.229  -2.664  -2.664
  325    HA   PHE  48           HA       PHE  48  -8.656  -0.142  -0.142
  326   1HB   PHE  48          1HB       PHE  48  -9.074  -3.041  -3.041
  327   2HB   PHE  48          2HB       PHE  48 -10.419  -1.925  -1.925
  328    HD1  PHE  48           HD2      PHE  48  -7.060  -2.529  -2.529
  329    HD2  PHE  48           HD1      PHE  48 -10.679  -0.182  -0.182
  330    HE1  PHE  48           HE2      PHE  48  -6.488  -1.807  -1.807
  331    HE2  PHE  48           HE1      PHE  48 -10.056   0.608   0.608
  332    HZ   PHE  48           HZ       PHE  48  -7.971  -0.208  -0.208
  333    H    ASN  49           H        ASN  49  -9.632  -3.162  -3.162
  334    HA   ASN  49           HA       ASN  49 -11.783  -1.815  -1.815
  335   1HB   ASN  49          1HB       ASN  49 -10.869  -4.722  -4.722
  336   2HB   ASN  49          2HB       ASN  49 -12.406  -4.189  -4.189
  337   1HD2  ASN  49          2HD2      ASN  49 -14.137  -3.775  -3.775
  338   2HD2  ASN  49          1HD2      ASN  49 -13.969  -3.928  -3.928
  339    H    CYS  50           H        CYS  50  -9.288  -0.939  -0.939
  340    HA   CYS  50           HA       CYS  50  -8.670  -2.271  -2.271
  341   1HB   CYS  50          1HB       CYS  50  -6.952  -1.283  -1.283
  342   2HB   CYS  50          2HB       CYS  50  -7.488   0.253   0.253

  Start of MODEL   11
    1   1H    LEU   1          2H        LEU   1 -10.492  -2.739  -2.739
    2   2H    LEU   1          3H        LEU   1 -11.741  -3.199  -3.199
    3   3H    LEU   1          1H        LEU   1 -11.638  -3.855  -3.855
    4    HA   LEU   1           HA       LEU   1  -9.592  -4.917  -4.917
    5   1HB   LEU   1          1HB       LEU   1 -11.651  -6.173  -6.173
    6   2HB   LEU   1          2HB       LEU   1 -11.863  -5.510  -5.510
    7    HG   LEU   1           HG       LEU   1  -9.826  -6.701  -6.701
    8   1HD1  LEU   1          1HD1      LEU   1  -9.757  -7.811  -7.811
    9   2HD1  LEU   1          2HD1      LEU   1  -8.827  -8.452  -8.452
   10   3HD1  LEU   1          3HD1      LEU   1  -8.499  -6.823  -6.823
   11   1HD2  LEU   1          1HD2      LEU   1 -12.052  -7.764  -7.764
   12   2HD2  LEU   1          2HD2      LEU   1 -10.769  -8.961  -8.961
   13   3HD2  LEU   1          3HD2      LEU   1 -11.823  -8.495  -8.495
   14    H    CYS   2           H        CYS   2  -7.749  -4.238  -4.238
   15    HA   CYS   2           HA       CYS   2  -7.686  -2.533  -2.533
   16   1HB   CYS   2          1HB       CYS   2  -5.293  -3.712  -3.712
   17   2HB   CYS   2          2HB       CYS   2  -5.460  -2.137  -2.137
   18    H    ASN   3           H        ASN   3  -8.528  -3.762  -3.762
   19    HA   ASN   3           HA       ASN   3  -8.006  -6.503  -6.503
   20   1HB   ASN   3          1HB       ASN   3  -9.023  -4.862  -4.862
   21   2HB   ASN   3          2HB       ASN   3  -9.455  -6.525  -6.525
   22   1HD2  ASN   3          2HD2      ASN   3 -10.823  -6.946  -6.946
   23   2HD2  ASN   3          1HD2      ASN   3 -11.890  -5.648  -5.648
   24    H    GLU   4           H        GLU   4  -5.473  -4.826  -4.826
   25    HA   GLU   4           HA       GLU   4  -3.826  -4.717  -4.717
   26   1HB   GLU   4          1HB       GLU   4  -3.637  -6.168  -6.168
   27   2HB   GLU   4          2HB       GLU   4  -3.936  -7.576  -7.576
   28   1HG   GLU   4          1HG       GLU   4  -2.194  -6.819  -6.819
   29   2HG   GLU   4          2HG       GLU   4  -1.749  -5.449  -5.449
   30    H    ARG   5           H        ARG   5  -4.079  -4.377  -4.377
   31    HA   ARG   5           HA       ARG   5  -4.570  -6.644  -6.644
   32   1HB   ARG   5          1HB       ARG   5  -6.353  -4.418  -4.418
   33   2HB   ARG   5          2HB       ARG   5  -5.543  -4.105  -4.105
   34   1HG   ARG   5          1HG       ARG   5  -7.155  -5.318  -5.318
   35   2HG   ARG   5          2HG       ARG   5  -6.218  -6.727  -6.727
   36   1HD   ARG   5          1HD       ARG   5  -8.456  -5.464  -5.464
   37   2HD   ARG   5          2HD       ARG   5  -8.662  -6.866  -6.866
   38   1HH1  ARG   5          1HH1      ARG   5  -7.940  -8.786  -8.786
   39   2HH1  ARG   5          2HH1      ARG   5  -7.432 -10.234 -10.234
   40   1HH2  ARG   5          1HH2      ARG   5  -6.367  -8.418  -8.418
   41   2HH2  ARG   5          2HH2      ARG   5  -6.558 -10.047 -10.047
   42    HA   PRO   6           HA       PRO   6  -0.891  -5.300  -5.300
   43   1HB   PRO   6          1HB       PRO   6  -0.741  -6.096  -6.096
   44   2HB   PRO   6          2HB       PRO   6  -0.945  -7.236  -7.236
   45   1HG   PRO   6          1HG       PRO   6  -3.130  -6.014  -6.014
   46   2HG   PRO   6          2HG       PRO   6  -2.861  -7.750  -7.750
   47   1HD   PRO   6          1HD       PRO   6  -4.611  -6.225  -6.225
   48   2HD   PRO   6          2HD       PRO   6  -3.644  -7.500  -7.500
   49    H    SER   7           H        SER   7   0.345  -4.169  -4.169
   50    HA   SER   7           HA       SER   7  -0.532  -1.446  -1.446
   51   1HB   SER   7          1HB       SER   7   1.262  -1.346  -1.346
   52   2HB   SER   7          2HB       SER   7   1.829  -1.961  -1.961
   53    HG   SER   7           HG       SER   7   0.947  -3.610  -3.610
   54    H    GLN   8           H        GLN   8  -2.455  -1.158  -1.158
   55    HA   GLN   8           HA       GLN   8  -3.174  -2.102  -2.102
   56   1HB   GLN   8          1HB       GLN   8  -4.465  -0.357  -0.357
   57   2HB   GLN   8          2HB       GLN   8  -5.269  -0.814  -0.814
   58   1HG   GLN   8          1HG       GLN   8  -5.536  -2.994  -2.994
   59   2HG   GLN   8          2HG       GLN   8  -4.130  -3.044  -3.044
   60   1HE2  GLN   8          2HE2      GLN   8  -4.213  -2.360  -2.360
   61   2HE2  GLN   8          1HE2      GLN   8  -5.735  -1.900  -1.900
   62    H    THR   9           H        THR   9  -3.821   1.195   1.195
   63    HA   THR   9           HA       THR   9  -3.013   2.296   2.296
   64    HB   THR   9           HB       THR   9  -3.496   4.464   4.464
   65    HG1  THR   9           HG1      THR   9  -5.004   2.706   2.706
   66   1HG2  THR   9          3HG2      THR   9  -5.617   2.362   2.362
   67   2HG2  THR   9          1HG2      THR   9  -5.964   4.064   4.064
   68   3HG2  THR   9          2HG2      THR   9  -5.019   3.638   3.638
   69    H    TRP  10           H        TRP  10  -1.084   1.575   1.575
   70    HA   TRP  10           HA       TRP  10   0.856   3.712   3.712
   71   1HB   TRP  10          1HB       TRP  10   0.875   2.410   2.410
   72   2HB   TRP  10          2HB       TRP  10   1.234   0.931   0.931
   73    HD1  TRP  10           HD1      TRP  10   3.677   0.874   0.874
   74    HE1  TRP  10           HE1      TRP  10   5.897   2.160   2.160
   75    HE3  TRP  10           HE3      TRP  10   2.015   4.283   4.283
   76    HZ2  TRP  10           HZ2      TRP  10   6.687   4.563   4.563
   77    HZ3  TRP  10           HZ3      TRP  10   3.471   6.160   6.160
   78    HH2  TRP  10           HH2      TRP  10   5.776   6.318   6.318
   79    H    SER  11           H        SER  11   0.064   0.530   0.530
   80    HA   SER  11           HA       SER  11   0.840  -0.643  -0.643
   81   1HB   SER  11          1HB       SER  11   1.004   2.151   2.151
   82   2HB   SER  11          2HB       SER  11   0.580   0.643   0.643
   83    HG   SER  11           HG       SER  11  -1.168   0.665   0.665
   84    H    GLY  12           H        GLY  12   3.060  -0.759  -0.759
   85   1HA   GLY  12          1HA       GLY  12   5.060  -1.295  -1.295
   86   2HA   GLY  12          2HA       GLY  12   5.361   0.376   0.376
   87    H    ASN  13           H        ASN  13   7.283  -0.117  -0.117
   88    HA   ASN  13           HA       ASN  13   7.216  -1.774  -1.774
   89   1HB   ASN  13          1HB       ASN  13   9.092  -2.136  -2.136
   90   2HB   ASN  13          2HB       ASN  13   9.590  -0.454  -0.454
   91   1HD2  ASN  13          2HD2      ASN  13  10.235   0.214   0.214
   92   2HD2  ASN  13          1HD2      ASN  13  11.004  -1.059  -1.059
   93    H    CYS  14           H        CYS  14   7.703  -0.720  -0.720
   94    HA   CYS  14           HA       CYS  14   6.646   1.841   1.841
   95   1HB   CYS  14          1HB       CYS  14   6.903   0.004   0.004
   96   2HB   CYS  14          2HB       CYS  14   8.666   0.238   0.238
   97    H    GLY  15           H        GLY  15   7.692   3.726   3.726
   98   1HA   GLY  15          1HA       GLY  15  10.536   4.199   4.199
   99   2HA   GLY  15          2HA       GLY  15   9.250   5.377   5.377
  100    H    ASN  16           H        ASN  16   7.779   5.484   5.484
  101    HA   ASN  16           HA       ASN  16   9.404   5.503   5.503
  102   1HB   ASN  16          1HB       ASN  16   9.655   7.774   7.774
  103   2HB   ASN  16          2HB       ASN  16   7.912   8.028   8.028
  104   1HD2  ASN  16          2HD2      ASN  16  10.128   9.563   9.563
  105   2HD2  ASN  16          1HD2      ASN  16   9.959   9.362   9.362
  106    H    THR  17           H        THR  17   8.233   4.577   4.577
  107    HA   THR  17           HA       THR  17   5.560   3.811   3.811
  108    HB   THR  17           HB       THR  17   7.240   2.672   2.672
  109    HG1  THR  17           HG1      THR  17   4.706   3.189   3.189
  110   1HG2  THR  17          3HG2      THR  17   7.965   4.624   4.624
  111   2HG2  THR  17          1HG2      THR  17   6.361   4.668   4.668
  112   3HG2  THR  17          2HG2      THR  17   7.406   3.256   3.256
  113    H    ALA  18           H        ALA  18   6.960   6.713   6.713
  114    HA   ALA  18           HA       ALA  18   4.563   7.684   7.684
  115   1HB   ALA  18          1HB       ALA  18   6.867   8.534   8.534
  116   2HB   ALA  18          2HB       ALA  18   6.933   9.248   9.248
  117   3HB   ALA  18          3HB       ALA  18   5.742   9.830   9.830
  118    H    HIS  19           H        HIS  19   5.551   7.542   7.542
  119    HA   HIS  19           HA       HIS  19   3.311   9.330   9.330
  120   1HB   HIS  19          1HB       HIS  19   5.260   9.387   9.387
  121   2HB   HIS  19          2HB       HIS  19   5.112   7.659   7.659
  122    HD1  HIS  19           HD1      HIS  19   4.847   8.373   8.373
  123    HD2  HIS  19           HD2      HIS  19   1.710   9.515   9.515
  124    HE1  HIS  19           HE1      HIS  19   2.752   8.703   8.703
  125    H    CYS  20           H        CYS  20   4.288   5.842   5.842
  126    HA   CYS  20           HA       CYS  20   2.081   4.708   4.708
  127   1HB   CYS  20          1HB       CYS  20   3.918   3.332   3.332
  128   2HB   CYS  20          2HB       CYS  20   3.503   3.692   3.692
  129    H    ASP  21           H        ASP  21   2.313   5.608   5.608
  130    HA   ASP  21           HA       ASP  21  -0.140   4.582   4.582
  131   1HB   ASP  21          1HB       ASP  21   0.934   5.304   5.304
  132   2HB   ASP  21          2HB       ASP  21   1.850   6.527   6.527
  133    H    LYS  22           H        LYS  22   0.641   7.701   7.701
  134    HA   LYS  22           HA       LYS  22  -2.032   8.810   8.810
  135   1HB   LYS  22          1HB       LYS  22   0.142   9.921   9.921
  136   2HB   LYS  22          2HB       LYS  22  -1.286  10.745  10.745
  137   1HG   LYS  22          1HG       LYS  22  -0.434  10.111  10.111
  138   2HG   LYS  22          2HG       LYS  22   1.035   9.538   9.538
  139   1HD   LYS  22          1HD       LYS  22   1.697  11.726  11.726
  140   2HD   LYS  22          2HD       LYS  22   0.127  12.423  12.423
  141   1HE   LYS  22          1HE       LYS  22   2.057  12.736  12.736
  142   2HE   LYS  22          2HE       LYS  22   0.500  12.179  12.179
  143   1HZ   LYS  22          1HZ       LYS  22   1.386   9.887   9.887
  144   2HZ   LYS  22          2HZ       LYS  22   2.902  10.539  10.539
  145    H    GLN  23           H        GLN  23  -0.060   7.387   7.387
  146    HA   GLN  23           HA       GLN  23  -1.584   8.004   8.004
  147   1HB   GLN  23          1HB       GLN  23   0.711   6.994   6.994
  148   2HB   GLN  23          2HB       GLN  23   0.079   5.556   5.556
  149   1HG   GLN  23          1HG       GLN  23   0.367   4.938   4.938
  150   2HG   GLN  23          2HG       GLN  23  -1.371   5.112   5.112
  151   1HE2  GLN  23          2HE2      GLN  23  -0.748   5.156   5.156
  152   2HE2  GLN  23          1HE2      GLN  23  -0.477   6.723   6.723
  153    H    CYS  24           H        CYS  24  -1.722   5.124   5.124
  154    HA   CYS  24           HA       CYS  24  -3.910   3.786   3.786
  155   1HB   CYS  24          1HB       CYS  24  -2.818   3.850   3.850
  156   2HB   CYS  24          2HB       CYS  24  -4.109   2.764   2.764
  157    H    GLN  25           H        GLN  25  -3.916   6.527   6.527
  158    HA   GLN  25           HA       GLN  25  -6.755   6.220   6.220
  159   1HB   GLN  25          1HB       GLN  25  -4.820   8.527   8.527
  160   2HB   GLN  25          2HB       GLN  25  -6.488   8.450   8.450
  161   1HG   GLN  25          1HG       GLN  25  -5.989   6.531   6.531
  162   2HG   GLN  25          2HG       GLN  25  -4.378   6.382   6.382
  163   1HE2  GLN  25          2HE2      GLN  25  -6.444   8.832   8.832
  164   2HE2  GLN  25          1HE2      GLN  25  -5.141   9.487   9.487
  165    H    ASP  26           H        ASP  26  -4.738   8.556   8.556
  166    HA   ASP  26           HA       ASP  26  -6.688  10.226  10.226
  167   1HB   ASP  26          1HB       ASP  26  -3.926   9.549   9.549
  168   2HB   ASP  26          2HB       ASP  26  -4.925  10.885  10.885
  169    H    TRP  27           H        TRP  27  -4.911   7.577   7.577
  170    HA   TRP  27           HA       TRP  27  -6.606   7.953   7.953
  171   1HB   TRP  27          1HB       TRP  27  -4.504   5.824   5.824
  172   2HB   TRP  27          2HB       TRP  27  -5.443   5.930   5.930
  173    HD1  TRP  27           HD1      TRP  27  -3.426   8.622   8.622
  174    HE1  TRP  27           HE1      TRP  27  -1.765   9.696   9.696
  175    HE3  TRP  27           HE3      TRP  27  -4.587   5.887   5.887
  176    HZ2  TRP  27           HZ2      TRP  27  -0.930   9.236   9.236
  177    HZ3  TRP  27           HZ3      TRP  27  -3.129   5.915   5.915
  178    HH2  TRP  27           HH2      TRP  27  -1.362   7.672   7.672
  179    H    GLU  28           H        GLU  28  -6.005   5.124   5.124
  180    HA   GLU  28           HA       GLU  28  -8.122   3.722   3.722
  181   1HB   GLU  28          1HB       GLU  28  -5.939   2.862   2.862
  182   2HB   GLU  28          2HB       GLU  28  -6.939   2.829   2.829
  183   1HG   GLU  28          1HG       GLU  28  -7.007   0.667   0.667
  184   2HG   GLU  28          2HG       GLU  28  -8.598   1.389   1.389
  185    H    LYS  29           H        LYS  29  -7.916   4.409   4.409
  186    HA   LYS  29           HA       LYS  29  -9.561   5.878   5.878
  187   1HB   LYS  29          1HB       LYS  29 -11.507   3.840   3.840
  188   2HB   LYS  29          2HB       LYS  29 -11.753   4.829   4.829
  189   1HG   LYS  29          1HG       LYS  29 -11.909   5.826   5.826
  190   2HG   LYS  29          2HG       LYS  29 -13.056   5.791   5.791
  191   1HD   LYS  29          1HD       LYS  29 -12.584   7.928   7.928
  192   2HD   LYS  29          2HD       LYS  29 -11.160   7.379   7.379
  193   1HE   LYS  29          1HE       LYS  29 -11.426   8.295   8.295
  194   2HE   LYS  29          2HE       LYS  29 -10.499   9.078   9.078
  195   1HZ   LYS  29          1HZ       LYS  29  -9.855   6.354   6.354
  196   2HZ   LYS  29          2HZ       LYS  29  -9.296   7.692   7.692
  197    H    ALA  30           H        ALA  30  -7.489   4.250   4.250
  198    HA   ALA  30           HA       ALA  30  -8.503   2.064   2.064
  199   1HB   ALA  30          1HB       ALA  30  -6.346   2.021   2.021
  200   2HB   ALA  30          2HB       ALA  30  -5.742   3.279   3.279
  201   3HB   ALA  30          3HB       ALA  30  -6.190   1.675   1.675
  202    H    SER  31           H        SER  31  -7.935   2.075   2.075
  203    HA   SER  31           HA       SER  31  -8.358   4.543   4.543
  204   1HB   SER  31          1HB       SER  31  -7.118   1.927   1.927
  205   2HB   SER  31          2HB       SER  31  -7.849   3.176   3.176
  206    HG   SER  31           HG       SER  31  -9.821   2.723   2.723
  207    H    HIS  32           H        HIS  32  -5.575   2.500   2.500
  208    HA   HIS  32           HA       HIS  32  -3.969   4.800   4.800
  209   1HB   HIS  32          1HB       HIS  32  -2.276   4.572   4.572
  210   2HB   HIS  32          2HB       HIS  32  -3.730   4.409   4.409
  211    HD1  HIS  32           HD1      HIS  32  -0.424   2.892   2.892
  212    HD2  HIS  32           HD2      HIS  32  -4.317   1.481   1.481
  213    HE1  HIS  32           HE1      HIS  32  -0.247   0.535   0.535
  214    H    GLY  33           H        GLY  33  -1.546   3.893   3.893
  215   1HA   GLY  33          1HA       GLY  33  -1.476   1.257   1.257
  216   2HA   GLY  33          2HA       GLY  33  -0.769   2.588   2.588
  217    H    ALA  34           H        ALA  34   0.780   0.436   0.436
  218    HA   ALA  34           HA       ALA  34   2.926   1.635   1.635
  219   1HB   ALA  34          1HB       ALA  34   1.508  -0.787  -0.787
  220   2HB   ALA  34          2HB       ALA  34   3.108  -0.202  -0.202
  221   3HB   ALA  34          3HB       ALA  34   1.680   0.816   0.816
  222    H    CYS  35           H        CYS  35   4.873   0.886   0.886
  223    HA   CYS  35           HA       CYS  35   4.643  -0.979  -0.979
  224   1HB   CYS  35          1HB       CYS  35   6.935   0.609   0.609
  225   2HB   CYS  35          2HB       CYS  35   7.077  -0.500  -0.500
  226    H    HIS  36           H        HIS  36   5.566  -3.067  -3.067
  227    HA   HIS  36           HA       HIS  36   7.248  -4.080  -4.080
  228   1HB   HIS  36          1HB       HIS  36   5.146  -5.910  -5.910
  229   2HB   HIS  36          2HB       HIS  36   6.046  -6.002  -6.002
  230    HD1  HIS  36           HD1      HIS  36   5.312  -3.406  -3.406
  231    HD2  HIS  36           HD2      HIS  36   2.696  -5.419  -5.419
  232    HE1  HIS  36           HE1      HIS  36   2.928  -2.902  -2.902
  233    H    LYS  37           H        LYS  37   8.752  -5.651  -5.651
  234    HA   LYS  37           HA       LYS  37   9.079  -6.001  -6.001
  235   1HB   LYS  37          1HB       LYS  37  10.948  -5.564  -5.564
  236   2HB   LYS  37          2HB       LYS  37  10.712  -7.073  -7.073
  237   1HG   LYS  37          1HG       LYS  37  10.869  -8.080  -8.080
  238   2HG   LYS  37          2HG       LYS  37  11.451  -6.541  -6.541
  239   1HD   LYS  37          1HD       LYS  37  12.820  -7.830  -7.830
  240   2HD   LYS  37          2HD       LYS  37  13.052  -8.611  -8.611
  241   1HE   LYS  37          1HE       LYS  37  13.627  -6.071  -6.071
  242   2HE   LYS  37          2HE       LYS  37  13.964  -5.916  -5.916
  243   1HZ   LYS  37          1HZ       LYS  37  15.123  -8.235  -8.235
  244   2HZ   LYS  37          2HZ       LYS  37  15.651  -6.796  -6.796
  245    H    ARG  38           H        ARG  38   8.180  -7.539  -7.539
  246    HA   ARG  38           HA       ARG  38   7.697 -10.273 -10.273
  247   1HB   ARG  38          1HB       ARG  38   6.088  -8.692  -8.692
  248   2HB   ARG  38          2HB       ARG  38   5.822 -10.390 -10.390
  249   1HG   ARG  38          1HG       ARG  38   5.340  -7.984  -7.984
  250   2HG   ARG  38          2HG       ARG  38   4.124  -8.882  -8.882
  251   1HD   ARG  38          1HD       ARG  38   3.962  -9.682  -9.682
  252   2HD   ARG  38          2HD       ARG  38   4.759 -10.969 -10.969
  253   1HH1  ARG  38          1HH2      ARG  38   4.546 -11.747 -11.747
  254   2HH1  ARG  38          2HH2      ARG  38   5.615 -12.284 -12.284
  255   1HH2  ARG  38          1HH1      ARG  38   8.088  -9.828  -9.828
  256   2HH2  ARG  38          2HH1      ARG  38   7.730 -11.106 -11.106
  257    H    GLU  39           H        GLU  39   8.942 -11.722 -11.722
  258    HA   GLU  39           HA       GLU  39  10.430 -12.489 -12.489
  259   1HB   GLU  39          1HB       GLU  39   8.295 -11.364 -11.364
  260   2HB   GLU  39          2HB       GLU  39   9.495 -12.606 -12.606
  261   1HG   GLU  39          1HG       GLU  39   8.538 -14.077 -14.077
  262   2HG   GLU  39          2HG       GLU  39   7.275 -12.869 -12.869
  263    H    ASN  40           H        ASN  40  11.424 -10.272 -10.272
  264    HA   ASN  40           HA       ASN  40  12.863  -8.631  -8.631
  265   1HB   ASN  40          1HB       ASN  40  13.860 -10.248 -10.248
  266   2HB   ASN  40          2HB       ASN  40  13.112  -9.256  -9.256
  267   1HD2  ASN  40          2HD2      ASN  40  14.925  -8.147  -8.147
  268   2HD2  ASN  40          1HD2      ASN  40  16.065  -7.225  -7.225
  269    H    HIS  41           H        HIS  41   9.959  -8.366  -8.366
  270    HA   HIS  41           HA       HIS  41  10.464  -5.653  -5.653
  271   1HB   HIS  41          1HB       HIS  41   8.094  -7.509  -7.509
  272   2HB   HIS  41          2HB       HIS  41   8.172  -5.916  -5.916
  273    HD1  HIS  41           HD1      HIS  41  10.367  -5.630  -5.630
  274    HD2  HIS  41           HD2      HIS  41   9.114  -9.525  -9.525
  275    HE1  HIS  41           HE1      HIS  41  11.425  -7.243  -7.243
  276    H    TRP  42           H        TRP  42  10.014  -3.922  -3.922
  277    HA   TRP  42           HA       TRP  42   8.490  -4.225  -4.225
  278   1HB   TRP  42          1HB       TRP  42   9.978  -1.940  -1.940
  279   2HB   TRP  42          2HB       TRP  42   8.902  -1.781  -1.781
  280    HD1  TRP  42           HD1      TRP  42  12.085  -3.671  -3.671
  281    HE1  TRP  42           HE1      TRP  42  13.444  -4.034  -4.034
  282    HE3  TRP  42           HE3      TRP  42   8.592  -2.207  -2.207
  283    HZ2  TRP  42           HZ2      TRP  42  12.874  -4.113  -4.113
  284    HZ3  TRP  42           HZ3      TRP  42   9.023  -2.346  -2.346
  285    HH2  TRP  42           HH2      TRP  42  11.146  -3.357  -3.357
  286    H    LYS  43           H        LYS  43   6.295  -4.414  -4.414
  287    HA   LYS  43           HA       LYS  43   4.972  -2.814  -2.814
  288   1HB   LYS  43          1HB       LYS  43   3.581  -4.792  -4.792
  289   2HB   LYS  43          2HB       LYS  43   3.196  -4.314  -4.314
  290   1HG   LYS  43          1HG       LYS  43   5.446  -6.023  -6.023
  291   2HG   LYS  43          2HG       LYS  43   4.152  -6.609  -6.609
  292   1HD   LYS  43          1HD       LYS  43   6.260  -4.757  -4.757
  293   2HD   LYS  43          2HD       LYS  43   6.135  -6.501  -6.501
  294   1HE   LYS  43          1HE       LYS  43   5.311  -5.710  -5.710
  295   2HE   LYS  43          2HE       LYS  43   3.884  -6.233  -6.233
  296   1HZ   LYS  43          1HZ       LYS  43   4.418  -3.775  -3.775
  297   2HZ   LYS  43          2HZ       LYS  43   3.051  -4.226  -4.226
  298    H    CYS  44           H        CYS  44   3.815  -1.100  -1.100
  299    HA   CYS  44           HA       CYS  44   3.369  -0.222  -0.222
  300   1HB   CYS  44          1HB       CYS  44   3.631   1.442   1.442
  301   2HB   CYS  44          2HB       CYS  44   2.464   0.700   0.700
  302    H    PHE  45           H        PHE  45   2.057  -1.669  -1.669
  303    HA   PHE  45           HA       PHE  45  -0.321  -2.838  -2.838
  304   1HB   PHE  45          1HB       PHE  45   1.093  -3.277  -3.277
  305   2HB   PHE  45          2HB       PHE  45  -0.615  -3.624  -3.624
  306    HD1  PHE  45           HD1      PHE  45   2.465  -4.378  -4.378
  307    HD2  PHE  45           HD2      PHE  45  -1.365  -5.732  -5.732
  308    HE1  PHE  45           HE1      PHE  45   2.925  -6.665  -6.665
  309    HE2  PHE  45           HE2      PHE  45  -0.931  -7.980  -7.980
  310    HZ   PHE  45           HZ       PHE  45   1.210  -8.436  -8.436
  311    H    CYS  46           H        CYS  46  -2.400  -2.354  -2.354
  312    HA   CYS  46           HA       CYS  46  -2.854   0.225   0.225
  313   1HB   CYS  46          1HB       CYS  46  -4.483  -1.159  -1.159
  314   2HB   CYS  46          2HB       CYS  46  -4.893   0.336   0.336
  315    H    TYR  47           H        TYR  47  -4.681   0.291   0.291
  316    HA   TYR  47           HA       TYR  47  -5.670  -2.363  -2.363
  317   1HB   TYR  47          1HB       TYR  47  -4.437   0.026   0.026
  318   2HB   TYR  47          2HB       TYR  47  -5.295  -1.233  -1.233
  319    HD1  TYR  47           HD1      TYR  47  -2.255  -0.465  -0.465
  320    HD2  TYR  47           HD2      TYR  47  -4.217  -3.313  -3.313
  321    HE1  TYR  47           HE1      TYR  47  -0.189  -1.820  -1.820
  322    HE2  TYR  47           HE2      TYR  47  -2.111  -4.565  -4.565
  323    HH   TYR  47           HH       TYR  47  -0.047  -4.915  -4.915
  324    H    PHE  48           H        PHE  48  -7.922  -2.076  -2.076
  325    HA   PHE  48           HA       PHE  48  -9.226   0.488   0.488
  326   1HB   PHE  48          1HB       PHE  48 -10.232  -2.324  -2.324
  327   2HB   PHE  48          2HB       PHE  48 -11.108  -0.836  -0.836
  328    HD1  PHE  48           HD1      PHE  48 -10.432   0.824   0.824
  329    HD2  PHE  48           HD2      PHE  48  -8.724  -3.132  -3.132
  330    HE1  PHE  48           HE1      PHE  48  -9.665   1.001   1.001
  331    HE2  PHE  48           HE2      PHE  48  -8.012  -2.965  -2.965
  332    HZ   PHE  48           HZ       PHE  48  -8.513  -0.931  -0.931
  333    H    ASN  49           H        ASN  49 -11.416   0.212   0.212
  334    HA   ASN  49           HA       ASN  49 -12.507   0.259   0.259
  335   1HB   ASN  49          1HB       ASN  49 -12.279  -2.749  -2.749
  336   2HB   ASN  49          2HB       ASN  49 -13.613  -1.796  -1.796
  337   1HD2  ASN  49          2HD2      ASN  49 -12.220  -3.186  -3.186
  338   2HD2  ASN  49          1HD2      ASN  49 -13.428  -2.666  -2.666
  339    H    CYS  50           H        CYS  50  -9.739   0.581   0.581
  340    HA   CYS  50           HA       CYS  50  -8.912  -1.518  -1.518
  341   1HB   CYS  50          1HB       CYS  50  -7.366  -0.236  -0.236
  342   2HB   CYS  50          2HB       CYS  50  -7.867   1.225   1.225

  Start of MODEL   12
    1   1H    LEU   1          3H        LEU   1 -12.402  -4.571  -4.571
    2   2H    LEU   1          1H        LEU   1 -12.772  -4.710  -4.710
    3   3H    LEU   1          2H        LEU   1 -11.943  -3.360  -3.360
    4    HA   LEU   1           HA       LEU   1 -10.473  -4.798  -4.798
    5   1HB   LEU   1          1HB       LEU   1 -11.748  -6.877  -6.877
    6   2HB   LEU   1          2HB       LEU   1 -11.391  -6.825  -6.825
    7    HG   LEU   1           HG       LEU   1  -8.952  -7.148  -7.148
    8   1HD1  LEU   1          1HD1      LEU   1  -9.962  -7.529  -7.529
    9   2HD1  LEU   1          2HD1      LEU   1  -8.336  -7.928  -7.928
   10   3HD1  LEU   1          3HD1      LEU   1  -8.864  -6.243  -6.243
   11   1HD2  LEU   1          1HD2      LEU   1 -10.414  -9.045  -9.045
   12   2HD2  LEU   1          2HD2      LEU   1  -9.166  -9.512  -9.512
   13   3HD2  LEU   1          3HD2      LEU   1 -10.831  -9.238  -9.238
   14    H    CYS   2           H        CYS   2  -8.264  -4.709  -4.709
   15    HA   CYS   2           HA       CYS   2  -7.703  -3.125  -3.125
   16   1HB   CYS   2          1HB       CYS   2  -5.647  -4.448  -4.448
   17   2HB   CYS   2          2HB       CYS   2  -5.520  -2.935  -2.935
   18    H    ASN   3           H        ASN   3  -8.653  -4.634  -4.634
   19    HA   ASN   3           HA       ASN   3  -7.178  -7.022  -7.022
   20   1HB   ASN   3          1HB       ASN   3  -8.859  -5.446  -5.446
   21   2HB   ASN   3          2HB       ASN   3  -8.445  -7.155  -7.155
   22   1HD2  ASN   3          2HD2      ASN   3  -9.197  -7.078  -7.078
   23   2HD2  ASN   3          1HD2      ASN   3 -10.950  -7.195  -7.195
   24    H    GLU   4           H        GLU   4  -5.127  -6.976  -6.976
   25    HA   GLU   4           HA       GLU   4  -3.794  -4.693  -4.693
   26   1HB   GLU   4          1HB       GLU   4  -2.665  -6.169  -6.169
   27   2HB   GLU   4          2HB       GLU   4  -3.088  -7.598  -7.598
   28   1HG   GLU   4          1HG       GLU   4  -1.735  -6.882  -6.882
   29   2HG   GLU   4          2HG       GLU   4  -1.209  -5.403  -5.403
   30    H    ARG   5           H        ARG   5  -3.720  -4.287  -4.287
   31    HA   ARG   5           HA       ARG   5  -3.798  -6.539  -6.539
   32   1HB   ARG   5          1HB       ARG   5  -6.097  -4.868  -4.868
   33   2HB   ARG   5          2HB       ARG   5  -5.513  -4.526  -4.526
   34   1HG   ARG   5          1HG       ARG   5  -5.741  -6.794  -6.794
   35   2HG   ARG   5          2HG       ARG   5  -5.922  -7.339  -7.339
   36   1HD   ARG   5          1HD       ARG   5  -8.127  -7.193  -7.193
   37   2HD   ARG   5          2HD       ARG   5  -8.095  -6.455  -6.455
   38   1HH1  ARG   5          1HH1      ARG   5  -7.215  -6.431  -6.431
   39   2HH1  ARG   5          2HH1      ARG   5  -7.199  -5.102  -5.102
   40   1HH2  ARG   5          1HH2      ARG   5  -8.532  -2.716  -2.716
   41   2HH2  ARG   5          2HH2      ARG   5  -7.925  -3.060  -3.060
   42    HA   PRO   6           HA       PRO   6  -0.662  -4.355  -4.355
   43   1HB   PRO   6          1HB       PRO   6  -0.163  -5.226  -5.226
   44   2HB   PRO   6          2HB       PRO   6  -0.179  -6.309  -6.309
   45   1HG   PRO   6          1HG       PRO   6  -2.481  -5.731  -5.731
   46   2HG   PRO   6          2HG       PRO   6  -1.825  -7.334  -7.334
   47   1HD   PRO   6          1HD       PRO   6  -3.960  -6.261  -6.261
   48   2HD   PRO   6          2HD       PRO   6  -2.715  -7.164  -7.164
   49    H    SER   7           H        SER   7   0.451  -2.926  -2.926
   50    HA   SER   7           HA       SER   7  -0.655  -0.686  -0.686
   51   1HB   SER   7          1HB       SER   7   1.196  -1.008  -1.008
   52   2HB   SER   7          2HB       SER   7   1.708  -0.991  -0.991
   53    HG   SER   7           HG       SER   7   1.106  -3.344  -3.344
   54    H    GLN   8           H        GLN   8  -2.563  -0.782  -0.782
   55    HA   GLN   8           HA       GLN   8  -2.581  -2.424  -2.424
   56   1HB   GLN   8          1HB       GLN   8  -4.804  -0.909  -0.909
   57   2HB   GLN   8          2HB       GLN   8  -4.913  -1.684  -1.684
   58   1HG   GLN   8          1HG       GLN   8  -4.167  -3.861  -3.861
   59   2HG   GLN   8          2HG       GLN   8  -4.409  -3.019  -3.019
   60   1HE2  GLN   8          2HE2      GLN   8  -6.181  -3.533  -3.533
   61   2HE2  GLN   8          1HE2      GLN   8  -7.731  -3.828  -3.828
   62    H    THR   9           H        THR   9  -2.977   0.839   0.839
   63    HA   THR   9           HA       THR   9  -3.011   2.224   2.224
   64    HB   THR   9           HB       THR   9  -2.547   4.196   4.196
   65    HG1  THR   9           HG1      THR   9  -3.002   2.333   2.333
   66   1HG2  THR   9          3HG2      THR   9  -4.918   2.383   2.383
   67   2HG2  THR   9          1HG2      THR   9  -4.771   4.051   4.051
   68   3HG2  THR   9          2HG2      THR   9  -4.812   3.718   3.718
   69    H    TRP  10           H        TRP  10  -0.719   2.000   2.000
   70    HA   TRP  10           HA       TRP  10   1.483   3.266   3.266
   71   1HB   TRP  10          1HB       TRP  10   1.049   2.892   2.892
   72   2HB   TRP  10          2HB       TRP  10   1.423   1.193   1.193
   73    HD1  TRP  10           HD1      TRP  10   4.163   0.904   0.904
   74    HE1  TRP  10           HE1      TRP  10   6.267   2.035   2.035
   75    HE3  TRP  10           HE3      TRP  10   1.960   4.884   4.884
   76    HZ2  TRP  10           HZ2      TRP  10   6.816   4.158   4.158
   77    HZ3  TRP  10           HZ3      TRP  10   3.240   6.266   6.266
   78    HH2  TRP  10           HH2      TRP  10   5.586   5.837   5.837
   79    H    SER  11           H        SER  11   1.352   2.198   2.198
   80    HA   SER  11           HA       SER  11   1.859  -0.609  -0.609
   81   1HB   SER  11          1HB       SER  11   1.895   1.587   1.587
   82   2HB   SER  11          2HB       SER  11   1.756  -0.154  -0.154
   83    HG   SER  11           HG       SER  11  -0.103   1.367   1.367
   84    H    GLY  12           H        GLY  12   3.879  -0.336  -0.336
   85   1HA   GLY  12          1HA       GLY  12   6.155  -1.002  -1.002
   86   2HA   GLY  12          2HA       GLY  12   6.284   0.693   0.693
   87    H    ASN  13           H        ASN  13   8.152  -0.003  -0.003
   88    HA   ASN  13           HA       ASN  13   7.846  -1.652  -1.652
   89   1HB   ASN  13          1HB       ASN  13   9.772  -1.962  -1.962
   90   2HB   ASN  13          2HB       ASN  13  10.276  -0.294  -0.294
   91   1HD2  ASN  13          2HD2      ASN  13  11.296   0.222   0.222
   92   2HD2  ASN  13          1HD2      ASN  13  11.743  -1.008  -1.008
   93    H    CYS  14           H        CYS  14   8.556  -0.655  -0.655
   94    HA   CYS  14           HA       CYS  14   7.967   2.268   2.268
   95   1HB   CYS  14          1HB       CYS  14   6.278   1.011   1.011
   96   2HB   CYS  14          2HB       CYS  14   7.487   0.023   0.023
   97    H    GLY  15           H        GLY  15   9.174   3.603   3.603
   98   1HA   GLY  15          1HA       GLY  15  11.182   2.577   2.577
   99   2HA   GLY  15          2HA       GLY  15  11.567   3.993   3.993
  100    H    ASN  16           H        ASN  16   9.372   5.423   5.423
  101    HA   ASN  16           HA       ASN  16   9.280   6.652   6.652
  102   1HB   ASN  16          1HB       ASN  16   9.288   7.792   7.792
  103   2HB   ASN  16          2HB       ASN  16   7.589   7.338   7.338
  104   1HD2  ASN  16          2HD2      ASN  16   8.372  10.028  10.028
  105   2HD2  ASN  16          1HD2      ASN  16   7.800  10.786  10.786
  106    H    THR  17           H        THR  17   8.369   4.710   4.710
  107    HA   THR  17           HA       THR  17   5.660   4.054   4.054
  108    HB   THR  17           HB       THR  17   7.445   2.966   2.966
  109    HG1  THR  17           HG1      THR  17   5.041   3.570   3.570
  110   1HG2  THR  17          3HG2      THR  17   8.332   4.947   4.947
  111   2HG2  THR  17          1HG2      THR  17   6.811   5.069   5.069
  112   3HG2  THR  17          2HG2      THR  17   7.843   3.641   3.641
  113    H    ALA  18           H        ALA  18   7.114   7.027   7.027
  114    HA   ALA  18           HA       ALA  18   4.801   7.953   7.953
  115   1HB   ALA  18          1HB       ALA  18   7.064   8.833   8.833
  116   2HB   ALA  18          2HB       ALA  18   7.085   9.566   9.566
  117   3HB   ALA  18          3HB       ALA  18   5.912  10.116  10.116
  118    H    HIS  19           H        HIS  19   5.610   7.869   7.869
  119    HA   HIS  19           HA       HIS  19   3.259   9.531   9.531
  120   1HB   HIS  19          1HB       HIS  19   5.114   9.542   9.542
  121   2HB   HIS  19          2HB       HIS  19   5.043   7.806   7.806
  122    HD1  HIS  19           HD1      HIS  19   4.773   8.300   8.300
  123    HD2  HIS  19           HD2      HIS  19   1.556   9.463   9.463
  124    HE1  HIS  19           HE1      HIS  19   2.673   8.348   8.348
  125    H    CYS  20           H        CYS  20   4.239   6.039   6.039
  126    HA   CYS  20           HA       CYS  20   1.958   4.876   4.876
  127   1HB   CYS  20          1HB       CYS  20   3.850   3.548   3.548
  128   2HB   CYS  20          2HB       CYS  20   3.537   3.896   3.896
  129    H    ASP  21           H        ASP  21   2.395   5.840   5.840
  130    HA   ASP  21           HA       ASP  21  -0.146   4.898   4.898
  131   1HB   ASP  21          1HB       ASP  21   1.648   5.527   5.527
  132   2HB   ASP  21          2HB       ASP  21   1.417   7.241   7.241
  133    H    LYS  22           H        LYS  22   0.755   8.004   8.004
  134    HA   LYS  22           HA       LYS  22  -1.789   9.309   9.309
  135   1HB   LYS  22          1HB       LYS  22   0.144   9.934   9.934
  136   2HB   LYS  22          2HB       LYS  22  -1.175  10.925  10.925
  137   1HG   LYS  22          1HG       LYS  22  -0.001  10.951  10.951
  138   2HG   LYS  22          2HG       LYS  22   1.301  10.061  10.061
  139   1HD   LYS  22          1HD       LYS  22   1.627  11.979  11.979
  140   2HD   LYS  22          2HD       LYS  22   0.234  12.797  12.797
  141   1HE   LYS  22          1HE       LYS  22   2.228  13.843  13.843
  142   2HE   LYS  22          2HE       LYS  22   1.398  12.978  12.978
  143   1HZ   LYS  22          1HZ       LYS  22   3.049  11.099  11.099
  144   2HZ   LYS  22          2HZ       LYS  22   3.961  12.437  12.437
  145    H    GLN  23           H        GLN  23  -0.163   7.720   7.720
  146    HA   GLN  23           HA       GLN  23  -1.934   7.904   7.904
  147   1HB   GLN  23          1HB       GLN  23   0.407   7.039   7.039
  148   2HB   GLN  23          2HB       GLN  23  -0.046   5.718   5.718
  149   1HG   GLN  23          1HG       GLN  23   0.098   4.617   4.617
  150   2HG   GLN  23          2HG       GLN  23  -1.624   4.899   4.899
  151   1HE2  GLN  23          2HE2      GLN  23  -1.225   4.400   4.400
  152   2HE2  GLN  23          1HE2      GLN  23  -0.655   5.697   5.697
  153    H    CYS  24           H        CYS  24  -1.718   5.230   5.230
  154    HA   CYS  24           HA       CYS  24  -3.863   3.710   3.710
  155   1HB   CYS  24          1HB       CYS  24  -2.641   4.054   4.054
  156   2HB   CYS  24          2HB       CYS  24  -3.896   2.859   2.859
  157    H    GLN  25           H        GLN  25  -3.963   6.566   6.566
  158    HA   GLN  25           HA       GLN  25  -6.790   6.210   6.210
  159   1HB   GLN  25          1HB       GLN  25  -4.856   8.514   8.514
  160   2HB   GLN  25          2HB       GLN  25  -6.519   8.405   8.405
  161   1HG   GLN  25          1HG       GLN  25  -5.991   6.443   6.443
  162   2HG   GLN  25          2HG       GLN  25  -4.393   6.302   6.302
  163   1HE2  GLN  25          2HE2      GLN  25  -6.064   9.199   9.199
  164   2HE2  GLN  25          1HE2      GLN  25  -4.808   9.521   9.521
  165    H    ASP  26           H        ASP  26  -4.830   8.631   8.631
  166    HA   ASP  26           HA       ASP  26  -6.921  10.182  10.182
  167   1HB   ASP  26          1HB       ASP  26  -4.060   9.816   9.816
  168   2HB   ASP  26          2HB       ASP  26  -5.185  10.992  10.992
  169    H    TRP  27           H        TRP  27  -4.920   7.671   7.671
  170    HA   TRP  27           HA       TRP  27  -6.615   7.806   7.806
  171   1HB   TRP  27          1HB       TRP  27  -4.162   6.053   6.053
  172   2HB   TRP  27          2HB       TRP  27  -5.126   6.056   6.056
  173    HD1  TRP  27           HD1      TRP  27  -3.649   9.120   9.120
  174    HE1  TRP  27           HE1      TRP  27  -2.030  10.278  10.278
  175    HE3  TRP  27           HE3      TRP  27  -4.114   5.951   5.951
  176    HZ2  TRP  27           HZ2      TRP  27  -0.891   9.726   9.726
  177    HZ3  TRP  27           HZ3      TRP  27  -2.673   6.197   6.197
  178    HH2  TRP  27           HH2      TRP  27  -1.037   8.023   8.023
  179    H    GLU  28           H        GLU  28  -5.353   5.124   5.124
  180    HA   GLU  28           HA       GLU  28  -6.850   3.511   3.511
  181   1HB   GLU  28          1HB       GLU  28  -4.604   3.033   3.033
  182   2HB   GLU  28          2HB       GLU  28  -5.506   2.422   2.422
  183   1HG   GLU  28          1HG       GLU  28  -6.550   0.702   0.702
  184   2HG   GLU  28          2HG       GLU  28  -5.968   1.443   1.443
  185    H    LYS  29           H        LYS  29  -7.333   3.818   3.818
  186    HA   LYS  29           HA       LYS  29  -9.296   4.751   4.751
  187   1HB   LYS  29          1HB       LYS  29 -10.709   2.536   2.536
  188   2HB   LYS  29          2HB       LYS  29 -11.374   3.479   3.479
  189   1HG   LYS  29          1HG       LYS  29 -10.282   4.862   4.862
  190   2HG   LYS  29          2HG       LYS  29 -11.935   4.303   4.303
  191   1HD   LYS  29          1HD       LYS  29 -12.621   5.927   5.927
  192   2HD   LYS  29          2HD       LYS  29 -11.216   5.837   5.837
  193   1HE   LYS  29          1HE       LYS  29 -11.360   7.305   7.305
  194   2HE   LYS  29          2HE       LYS  29 -11.398   8.045   8.045
  195   1HZ   LYS  29          1HZ       LYS  29  -9.144   6.372   6.372
  196   2HZ   LYS  29          2HZ       LYS  29  -9.216   8.020   8.020
  197    H    ALA  30           H        ALA  30  -7.668   3.983   3.983
  198    HA   ALA  30           HA       ALA  30  -8.838   1.762   1.762
  199   1HB   ALA  30          1HB       ALA  30  -5.968   2.320   2.320
  200   2HB   ALA  30          2HB       ALA  30  -6.394   1.133   1.133
  201   3HB   ALA  30          3HB       ALA  30  -6.941   0.899   0.899
  202    H    SER  31           H        SER  31  -8.008   1.798   1.798
  203    HA   SER  31           HA       SER  31  -8.420   4.317   4.317
  204   1HB   SER  31          1HB       SER  31  -7.033   1.802   1.802
  205   2HB   SER  31          2HB       SER  31  -7.508   3.130   3.130
  206    HG   SER  31           HG       SER  31  -9.388   1.785   1.785
  207    H    HIS  32           H        HIS  32  -5.464   2.529   2.529
  208    HA   HIS  32           HA       HIS  32  -3.938   4.915   4.915
  209   1HB   HIS  32          1HB       HIS  32  -2.733   4.925   4.925
  210   2HB   HIS  32          2HB       HIS  32  -4.122   4.149   4.149
  211    HD1  HIS  32           HD1      HIS  32  -0.471   3.579   3.579
  212    HD2  HIS  32           HD2      HIS  32  -3.958   1.402   1.402
  213    HE1  HIS  32           HE1      HIS  32   0.246   1.210   1.210
  214    H    GLY  33           H        GLY  33  -1.426   4.103   4.103
  215   1HA   GLY  33          1HA       GLY  33  -1.280   1.522   1.522
  216   2HA   GLY  33          2HA       GLY  33  -0.703   2.919   2.919
  217    H    ALA  34           H        ALA  34   0.967   0.857   0.857
  218    HA   ALA  34           HA       ALA  34   3.198   2.035   2.035
  219   1HB   ALA  34          1HB       ALA  34   1.779  -0.358  -0.358
  220   2HB   ALA  34          2HB       ALA  34   3.462   0.091   0.091
  221   3HB   ALA  34          3HB       ALA  34   2.145   1.204   1.204
  222    H    CYS  35           H        CYS  35   5.091   1.230   1.230
  223    HA   CYS  35           HA       CYS  35   4.659  -0.715  -0.715
  224   1HB   CYS  35          1HB       CYS  35   7.043   0.928   0.928
  225   2HB   CYS  35          2HB       CYS  35   7.062  -0.242  -0.242
  226    H    HIS  36           H        HIS  36   5.882  -2.686  -2.686
  227    HA   HIS  36           HA       HIS  36   7.750  -3.462  -3.462
  228   1HB   HIS  36          1HB       HIS  36   5.863  -5.672  -5.672
  229   2HB   HIS  36          2HB       HIS  36   6.707  -5.322  -5.322
  230    HD1  HIS  36           HD1      HIS  36   5.529  -3.301  -3.301
  231    HD2  HIS  36           HD2      HIS  36   3.332  -4.898  -4.898
  232    HE1  HIS  36           HE1      HIS  36   3.055  -2.798  -2.798
  233    H    LYS  37           H        LYS  37   9.086  -5.236  -5.236
  234    HA   LYS  37           HA       LYS  37   9.188  -5.719  -5.719
  235   1HB   LYS  37          1HB       LYS  37  11.180  -5.311  -5.311
  236   2HB   LYS  37          2HB       LYS  37  10.924  -6.738  -6.738
  237   1HG   LYS  37          1HG       LYS  37  10.803  -7.856  -7.856
  238   2HG   LYS  37          2HG       LYS  37  11.550  -6.409  -6.409
  239   1HD   LYS  37          1HD       LYS  37  12.859  -7.819  -7.819
  240   2HD   LYS  37          2HD       LYS  37  12.874  -8.668  -8.668
  241   1HE   LYS  37          1HE       LYS  37  13.754  -6.333  -6.333
  242   2HE   LYS  37          2HE       LYS  37  14.239  -6.096  -6.096
  243   1HZ   LYS  37          1HZ       LYS  37  14.918  -8.670  -8.670
  244   2HZ   LYS  37          2HZ       LYS  37  15.626  -7.393  -7.393
  245    H    ARG  38           H        ARG  38   8.016  -7.242  -7.242
  246    HA   ARG  38           HA       ARG  38   7.178  -9.678  -9.678
  247   1HB   ARG  38          1HB       ARG  38   5.528  -7.689  -7.689
  248   2HB   ARG  38          2HB       ARG  38   5.447  -7.843  -7.843
  249   1HG   ARG  38          1HG       ARG  38   3.556  -8.913  -8.913
  250   2HG   ARG  38          2HG       ARG  38   4.599 -10.191 -10.191
  251   1HD   ARG  38          1HD       ARG  38   5.186 -10.971 -10.971
  252   2HD   ARG  38          2HD       ARG  38   4.895  -9.436  -9.436
  253   1HH1  ARG  38          1HH2      ARG  38   3.176  -8.082  -8.082
  254   2HH1  ARG  38          2HH2      ARG  38   1.657  -7.995  -7.995
  255   1HH2  ARG  38          1HH1      ARG  38   0.938 -11.403 -11.403
  256   2HH2  ARG  38          2HH1      ARG  38   0.458  -9.813  -9.813
  257    H    GLU  39           H        GLU  39   7.440 -11.471 -11.471
  258    HA   GLU  39           HA       GLU  39   8.538 -12.567 -12.567
  259   1HB   GLU  39          1HB       GLU  39   6.892 -10.829 -10.829
  260   2HB   GLU  39          2HB       GLU  39   7.414 -12.503 -12.503
  261   1HG   GLU  39          1HG       GLU  39   5.242 -11.394 -11.394
  262   2HG   GLU  39          2HG       GLU  39   5.094 -12.608 -12.608
  263    H    ASN  40           H        ASN  40  10.098 -10.521 -10.521
  264    HA   ASN  40           HA       ASN  40  11.860  -9.205  -9.205
  265   1HB   ASN  40          1HB       ASN  40  12.472 -11.368 -11.368
  266   2HB   ASN  40          2HB       ASN  40  12.121 -10.454 -10.454
  267   1HD2  ASN  40          2HD2      ASN  40  14.350 -10.502 -10.502
  268   2HD2  ASN  40          1HD2      ASN  40  15.614  -9.609  -9.609
  269    H    HIS  41           H        HIS  41   9.166  -8.253  -8.253
  270    HA   HIS  41           HA       HIS  41  10.326  -6.031  -6.031
  271   1HB   HIS  41          1HB       HIS  41   7.625  -7.371  -7.371
  272   2HB   HIS  41          2HB       HIS  41   8.014  -5.871  -5.871
  273    HD1  HIS  41           HD1      HIS  41  10.376  -6.147  -6.147
  274    HD2  HIS  41           HD2      HIS  41   8.194  -9.598  -9.598
  275    HE1  HIS  41           HE1      HIS  41  11.142  -8.031  -8.031
  276    H    TRP  42           H        TRP  42  10.037  -4.011  -4.011
  277    HA   TRP  42           HA       TRP  42   8.698  -3.918  -3.918
  278   1HB   TRP  42          1HB       TRP  42  10.249  -1.920  -1.920
  279   2HB   TRP  42          2HB       TRP  42   9.310  -1.495  -1.495
  280    HD1  TRP  42           HD1      TRP  42  12.268  -3.702  -3.702
  281    HE1  TRP  42           HE1      TRP  42  13.714  -4.068  -4.068
  282    HE3  TRP  42           HE3      TRP  42   9.097  -1.781  -1.781
  283    HZ2  TRP  42           HZ2      TRP  42  13.339  -3.870  -3.870
  284    HZ3  TRP  42           HZ3      TRP  42   9.677  -1.741  -1.741
  285    HH2  TRP  42           HH2      TRP  42  11.788  -2.861  -2.861
  286    H    LYS  43           H        LYS  43   6.521  -4.167  -4.167
  287    HA   LYS  43           HA       LYS  43   5.061  -2.563  -2.563
  288   1HB   LYS  43          1HB       LYS  43   3.944  -4.543  -4.543
  289   2HB   LYS  43          2HB       LYS  43   3.165  -3.981  -3.981
  290   1HG   LYS  43          1HG       LYS  43   5.644  -5.729  -5.729
  291   2HG   LYS  43          2HG       LYS  43   4.081  -6.353  -6.353
  292   1HD   LYS  43          1HD       LYS  43   5.228  -6.469  -6.469
  293   2HD   LYS  43          2HD       LYS  43   3.628  -5.752  -5.752
  294   1HE   LYS  43          1HE       LYS  43   6.053  -3.939  -3.939
  295   2HE   LYS  43          2HE       LYS  43   5.681  -4.756  -4.756
  296   1HZ   LYS  43          1HZ       LYS  43   4.283  -3.198  -3.198
  297   2HZ   LYS  43          2HZ       LYS  43   3.287  -3.715  -3.715
  298    H    CYS  44           H        CYS  44   4.042  -0.824  -0.824
  299    HA   CYS  44           HA       CYS  44   3.566   0.016   0.016
  300   1HB   CYS  44          1HB       CYS  44   3.627   1.691   1.691
  301   2HB   CYS  44          2HB       CYS  44   2.529   0.882   0.882
  302    H    PHE  45           H        PHE  45   1.936  -0.738  -0.738
  303    HA   PHE  45           HA       PHE  45  -0.224  -2.370  -2.370
  304   1HB   PHE  45          1HB       PHE  45   1.615  -2.940  -2.940
  305   2HB   PHE  45          2HB       PHE  45  -0.070  -3.268  -3.268
  306    HD1  PHE  45           HD1      PHE  45   2.703  -4.150  -4.150
  307    HD2  PHE  45           HD2      PHE  45  -1.249  -5.104  -5.104
  308    HE1  PHE  45           HE1      PHE  45   2.928  -6.451  -6.451
  309    HE2  PHE  45           HE2      PHE  45  -1.059  -7.379  -7.379
  310    HZ   PHE  45           HZ       PHE  45   1.031  -8.048  -8.048
  311    H    CYS  46           H        CYS  46  -2.192  -2.141  -2.141
  312    HA   CYS  46           HA       CYS  46  -2.656   0.339   0.339
  313   1HB   CYS  46          1HB       CYS  46  -4.278  -0.922  -0.922
  314   2HB   CYS  46          2HB       CYS  46  -4.665   0.557   0.557
  315    H    TYR  47           H        TYR  47  -4.349   0.275   0.275
  316    HA   TYR  47           HA       TYR  47  -5.054  -2.468  -2.468
  317   1HB   TYR  47          1HB       TYR  47  -4.062   0.103   0.103
  318   2HB   TYR  47          2HB       TYR  47  -4.733  -1.165  -1.165
  319    HD1  TYR  47           HD1      TYR  47  -1.868  -0.207  -0.207
  320    HD2  TYR  47           HD2      TYR  47  -3.585  -3.273  -3.273
  321    HE1  TYR  47           HE1      TYR  47   0.121  -1.632  -1.632
  322    HE2  TYR  47           HE2      TYR  47  -1.548  -4.634  -4.634
  323    HH   TYR  47           HH       TYR  47   0.260  -4.971  -4.971
  324    H    PHE  48           H        PHE  48  -7.210  -2.642  -2.642
  325    HA   PHE  48           HA       PHE  48  -8.405  -0.274  -0.274
  326   1HB   PHE  48          1HB       PHE  48  -9.062  -3.189  -3.189
  327   2HB   PHE  48          2HB       PHE  48 -10.288  -2.010  -2.010
  328    HD1  PHE  48           HD2      PHE  48  -6.821  -3.099  -3.099
  329    HD2  PHE  48           HD1      PHE  48 -10.243  -0.727  -0.727
  330    HE1  PHE  48           HE2      PHE  48  -5.716  -2.510  -2.510
  331    HE2  PHE  48           HE1      PHE  48  -9.099  -0.084  -0.084
  332    HZ   PHE  48           HZ       PHE  48  -6.796  -0.930  -0.930
  333    H    ASN  49           H        ASN  49 -10.355  -2.566  -2.566
  334    HA   ASN  49           HA       ASN  49 -11.793  -0.198  -0.198
  335   1HB   ASN  49          1HB       ASN  49 -13.475  -1.868  -1.868
  336   2HB   ASN  49          2HB       ASN  49 -13.272  -1.732  -1.732
  337   1HD2  ASN  49          2HD2      ASN  49 -12.147  -3.419  -3.419
  338   2HD2  ASN  49          1HD2      ASN  49 -12.055  -5.033  -5.033
  339    H    CYS  50           H        CYS  50  -9.326  -0.265  -0.265
  340    HA   CYS  50           HA       CYS  50  -9.030  -1.810  -1.810
  341   1HB   CYS  50          1HB       CYS  50  -7.134  -0.987  -0.987
  342   2HB   CYS  50          2HB       CYS  50  -7.514   0.609   0.609

  Start of MODEL   13
    1   1H    LEU   1          3H        LEU   1 -12.396  -5.736  -5.736
    2   2H    LEU   1          1H        LEU   1 -12.809  -5.314  -5.314
    3   3H    LEU   1          2H        LEU   1 -12.253  -4.139  -4.139
    4    HA   LEU   1           HA       LEU   1 -10.566  -4.662  -4.662
    5   1HB   LEU   1          1HB       LEU   1  -9.646  -6.796  -6.796
    6   2HB   LEU   1          2HB       LEU   1 -11.380  -6.925  -6.925
    7    HG   LEU   1           HG       LEU   1 -10.664  -8.887  -8.887
    8   1HD1  LEU   1          1HD1      LEU   1 -12.749  -7.950  -7.950
    9   2HD1  LEU   1          2HD1      LEU   1 -11.762  -7.411  -7.411
   10   3HD1  LEU   1          3HD1      LEU   1 -11.881  -9.127  -9.127
   11   1HD2  LEU   1          1HD2      LEU   1  -8.450  -8.077  -8.077
   12   2HD2  LEU   1          2HD2      LEU   1  -9.298  -9.235  -9.235
   13   3HD2  LEU   1          3HD2      LEU   1  -9.270  -7.534  -7.534
   14    H    CYS   2           H        CYS   2  -8.272  -4.786  -4.786
   15    HA   CYS   2           HA       CYS   2  -8.159  -3.327  -3.327
   16   1HB   CYS   2          1HB       CYS   2  -5.716  -4.445  -4.445
   17   2HB   CYS   2          2HB       CYS   2  -5.900  -2.936  -2.936
   18    H    ASN   3           H        ASN   3  -8.771  -4.181  -4.181
   19    HA   ASN   3           HA       ASN   3  -7.860  -6.770  -6.770
   20   1HB   ASN   3          1HB       ASN   3 -10.076  -6.091  -6.091
   21   2HB   ASN   3          2HB       ASN   3  -9.525  -4.489  -4.489
   22   1HD2  ASN   3          2HD2      ASN   3  -8.628  -7.898  -7.898
   23   2HD2  ASN   3          1HD2      ASN   3  -8.645  -7.662  -7.662
   24    H    GLU   4           H        GLU   4  -5.596  -6.413  -6.413
   25    HA   GLU   4           HA       GLU   4  -4.171  -4.401  -4.401
   26   1HB   GLU   4          1HB       GLU   4  -3.219  -5.378  -5.378
   27   2HB   GLU   4          2HB       GLU   4  -3.466  -7.022  -7.022
   28   1HG   GLU   4          1HG       GLU   4  -1.880  -6.710  -6.710
   29   2HG   GLU   4          2HG       GLU   4  -1.623  -4.995  -4.995
   30    H    ARG   5           H        ARG   5  -3.638  -4.505  -4.505
   31    HA   ARG   5           HA       ARG   5  -3.575  -7.072  -7.072
   32   1HB   ARG   5          1HB       ARG   5  -5.072  -6.073  -6.073
   33   2HB   ARG   5          2HB       ARG   5  -5.905  -6.506  -6.506
   34   1HG   ARG   5          1HG       ARG   5  -6.049  -4.206  -4.206
   35   2HG   ARG   5          2HG       ARG   5  -4.917  -3.699  -3.699
   36   1HD   ARG   5          1HD       ARG   5  -6.813  -3.130  -3.130
   37   2HD   ARG   5          2HD       ARG   5  -6.718  -4.786  -4.786
   38   1HH1  ARG   5          1HH2      ARG   5  -8.472  -3.320  -3.320
   39   2HH1  ARG   5          2HH2      ARG   5 -10.165  -2.962  -2.962
   40   1HH2  ARG   5          1HH1      ARG   5 -10.359  -4.494  -4.494
   41   2HH2  ARG   5          2HH1      ARG   5 -11.314  -3.680  -3.680
   42    HA   PRO   6           HA       PRO   6  -0.153  -5.011  -5.011
   43   1HB   PRO   6          1HB       PRO   6   0.168  -6.187  -6.187
   44   2HB   PRO   6          2HB       PRO   6   0.384  -7.059  -7.059
   45   1HG   PRO   6          1HG       PRO   6  -2.113  -6.961  -6.961
   46   2HG   PRO   6          2HG       PRO   6  -1.270  -8.418  -8.418
   47   1HD   PRO   6          1HD       PRO   6  -3.399  -7.405  -7.405
   48   2HD   PRO   6          2HD       PRO   6  -1.987  -7.983  -7.983
   49    H    SER   7           H        SER   7   0.647  -3.949  -3.949
   50    HA   SER   7           HA       SER   7  -0.356  -1.497  -1.497
   51   1HB   SER   7          1HB       SER   7   0.674  -1.912  -1.912
   52   2HB   SER   7          2HB       SER   7   1.700  -1.885  -1.885
   53    HG   SER   7           HG       SER   7   0.582  -4.225  -4.225
   54    H    GLN   8           H        GLN   8  -2.378  -0.972  -0.972
   55    HA   GLN   8           HA       GLN   8  -4.157  -2.313  -2.313
   56   1HB   GLN   8          1HB       GLN   8  -4.474   0.224   0.224
   57   2HB   GLN   8          2HB       GLN   8  -5.739  -0.568  -0.568
   58   1HG   GLN   8          1HG       GLN   8  -4.259  -1.776  -1.776
   59   2HG   GLN   8          2HG       GLN   8  -5.852  -1.023  -1.023
   60   1HE2  GLN   8          2HE2      GLN   8  -4.029  -3.875  -3.875
   61   2HE2  GLN   8          1HE2      GLN   8  -5.429  -4.852  -4.852
   62    H    THR   9           H        THR   9  -3.340   1.193   1.193
   63    HA   THR   9           HA       THR   9  -3.449   1.589   1.589
   64    HB   THR   9           HB       THR   9  -3.044   3.963   3.963
   65    HG1  THR   9           HG1      THR   9  -3.500   4.174   4.174
   66   1HG2  THR   9          3HG2      THR   9  -5.425   2.421   2.421
   67   2HG2  THR   9          1HG2      THR   9  -5.353   4.178   4.178
   68   3HG2  THR   9          2HG2      THR   9  -5.293   3.131   3.131
   69    H    TRP  10           H        TRP  10  -1.074   1.408   1.408
   70    HA   TRP  10           HA       TRP  10   0.906   2.966   2.966
   71   1HB   TRP  10          1HB       TRP  10   0.867   2.266   2.266
   72   2HB   TRP  10          2HB       TRP  10   1.346   0.630   0.630
   73    HD1  TRP  10           HD1      TRP  10   3.762   0.706   0.706
   74    HE1  TRP  10           HE1      TRP  10   5.864   2.177   2.177
   75    HE3  TRP  10           HE3      TRP  10   2.080   3.891   3.891
   76    HZ2  TRP  10           HZ2      TRP  10   6.618   4.528   4.528
   77    HZ3  TRP  10           HZ3      TRP  10   3.486   5.790   5.790
   78    HH2  TRP  10           HH2      TRP  10   5.732   6.097   6.097
   79    H    SER  11           H        SER  11   1.527   2.551   2.551
   80    HA   SER  11           HA       SER  11   1.167   0.042   0.042
   81   1HB   SER  11          1HB       SER  11   2.539   2.350   2.350
   82   2HB   SER  11          2HB       SER  11   1.289   1.249   1.249
   83    HG   SER  11           HG       SER  11  -0.047   2.339   2.339
   84    H    GLY  12           H        GLY  12   2.993  -0.837  -0.837
   85   1HA   GLY  12          1HA       GLY  12   4.673  -2.458  -2.458
   86   2HA   GLY  12          2HA       GLY  12   5.608  -1.000  -1.000
   87    H    ASN  13           H        ASN  13   7.079  -0.591  -0.591
   88    HA   ASN  13           HA       ASN  13   7.147  -2.038  -2.038
   89   1HB   ASN  13          1HB       ASN  13   8.926  -2.288  -2.288
   90   2HB   ASN  13          2HB       ASN  13   9.452  -0.640  -0.640
   91   1HD2  ASN  13          2HD2      ASN  13  10.028  -0.294  -0.294
   92   2HD2  ASN  13          1HD2      ASN  13  10.866  -1.661  -1.661
   93    H    CYS  14           H        CYS  14   7.639  -0.906  -0.906
   94    HA   CYS  14           HA       CYS  14   6.593   1.819   1.819
   95   1HB   CYS  14          1HB       CYS  14   5.839   0.560   0.560
   96   2HB   CYS  14          2HB       CYS  14   7.364  -0.272  -0.272
   97    H    GLY  15           H        GLY  15   7.679   3.580   3.580
   98   1HA   GLY  15          1HA       GLY  15  10.661   3.605   3.605
   99   2HA   GLY  15          2HA       GLY  15   9.592   4.941   4.941
  100    H    ASN  16           H        ASN  16   7.827   4.849   4.849
  101    HA   ASN  16           HA       ASN  16   9.403   5.052   5.052
  102   1HB   ASN  16          1HB       ASN  16   9.866   7.211   7.211
  103   2HB   ASN  16          2HB       ASN  16   8.147   7.619   7.619
  104   1HD2  ASN  16          2HD2      ASN  16  10.310   9.166   9.166
  105   2HD2  ASN  16          1HD2      ASN  16  10.170   9.078   9.078
  106    H    THR  17           H        THR  17   8.167   4.392   4.392
  107    HA   THR  17           HA       THR  17   5.418   3.831   3.831
  108    HB   THR  17           HB       THR  17   7.073   2.707   2.707
  109    HG1  THR  17           HG1      THR  17   4.635   3.485   3.485
  110   1HG2  THR  17          3HG2      THR  17   7.964   4.721   4.721
  111   2HG2  THR  17          1HG2      THR  17   6.388   4.947   4.947
  112   3HG2  THR  17          2HG2      THR  17   7.340   3.489   3.489
  113    H    ALA  18           H        ALA  18   7.131   6.680   6.680
  114    HA   ALA  18           HA       ALA  18   4.912   8.021   8.021
  115   1HB   ALA  18          1HB       ALA  18   7.312   8.641   8.641
  116   2HB   ALA  18          2HB       ALA  18   7.369   9.219   9.219
  117   3HB   ALA  18          3HB       ALA  18   6.305  10.012  10.012
  118    H    HIS  19           H        HIS  19   5.667   7.389   7.389
  119    HA   HIS  19           HA       HIS  19   3.567   9.326   9.326
  120   1HB   HIS  19          1HB       HIS  19   5.419   9.060   9.060
  121   2HB   HIS  19          2HB       HIS  19   5.091   7.338   7.338
  122    HD1  HIS  19           HD1      HIS  19   4.642   7.786   7.786
  123    HD2  HIS  19           HD2      HIS  19   1.923   9.576   9.576
  124    HE1  HIS  19           HE1      HIS  19   2.506   8.310   8.310
  125    H    CYS  20           H        CYS  20   4.258   5.775   5.775
  126    HA   CYS  20           HA       CYS  20   1.973   4.738   4.738
  127   1HB   CYS  20          1HB       CYS  20   3.761   3.354   3.354
  128   2HB   CYS  20          2HB       CYS  20   3.336   3.762   3.762
  129    H    ASP  21           H        ASP  21   2.279   5.714   5.714
  130    HA   ASP  21           HA       ASP  21  -0.332   4.869   4.869
  131   1HB   ASP  21          1HB       ASP  21   1.450   5.427   5.427
  132   2HB   ASP  21          2HB       ASP  21   1.337   7.139   7.139
  133    H    LYS  22           H        LYS  22   0.839   7.908   7.908
  134    HA   LYS  22           HA       LYS  22  -1.670   9.330   9.330
  135   1HB   LYS  22          1HB       LYS  22   0.434   9.925   9.925
  136   2HB   LYS  22          2HB       LYS  22  -0.854  10.966  10.966
  137   1HG   LYS  22          1HG       LYS  22   0.176  10.980  10.980
  138   2HG   LYS  22          2HG       LYS  22   1.451   9.907   9.907
  139   1HD   LYS  22          1HD       LYS  22   2.255  11.598  11.598
  140   2HD   LYS  22          2HD       LYS  22   0.840  12.617  12.617
  141   1HE   LYS  22          1HE       LYS  22   2.932  13.463  13.463
  142   2HE   LYS  22          2HE       LYS  22   1.551  13.280  13.280
  143   1HZ   LYS  22          1HZ       LYS  22   2.880  10.880  10.880
  144   2HZ   LYS  22          2HZ       LYS  22   4.081  12.056  12.056
  145    H    GLN  23           H        GLN  23   0.053   7.650   7.650
  146    HA   GLN  23           HA       GLN  23  -1.528   8.011   8.011
  147   1HB   GLN  23          1HB       GLN  23   0.655   6.905   6.905
  148   2HB   GLN  23          2HB       GLN  23   0.056   5.618   5.618
  149   1HG   GLN  23          1HG       GLN  23   0.250   4.659   4.659
  150   2HG   GLN  23          2HG       GLN  23  -1.472   4.844   4.844
  151   1HE2  GLN  23          2HE2      GLN  23  -1.433   4.475   4.475
  152   2HE2  GLN  23          1HE2      GLN  23  -0.937   5.764   5.764
  153    H    CYS  24           H        CYS  24  -1.831   5.274   5.274
  154    HA   CYS  24           HA       CYS  24  -4.080   4.057   4.057
  155   1HB   CYS  24          1HB       CYS  24  -3.086   3.990   3.990
  156   2HB   CYS  24          2HB       CYS  24  -4.335   2.920   2.920
  157    H    GLN  25           H        GLN  25  -3.972   6.871   6.871
  158    HA   GLN  25           HA       GLN  25  -6.862   6.738   6.738
  159   1HB   GLN  25          1HB       GLN  25  -4.688   8.682   8.682
  160   2HB   GLN  25          2HB       GLN  25  -6.382   8.709   8.709
  161   1HG   GLN  25          1HG       GLN  25  -6.142   6.494   6.494
  162   2HG   GLN  25          2HG       GLN  25  -4.486   6.360   6.360
  163   1HE2  GLN  25          2HE2      GLN  25  -6.216   9.080   9.080
  164   2HE2  GLN  25          1HE2      GLN  25  -5.050   9.201   9.201
  165    H    ASP  26           H        ASP  26  -4.435   8.490   8.490
  166    HA   ASP  26           HA       ASP  26  -6.015  10.757  10.757
  167   1HB   ASP  26          1HB       ASP  26  -3.497   9.585   9.585
  168   2HB   ASP  26          2HB       ASP  26  -4.227  11.126  11.126
  169    H    TRP  27           H        TRP  27  -4.861   7.879   7.879
  170    HA   TRP  27           HA       TRP  27  -6.519   8.542   8.542
  171   1HB   TRP  27          1HB       TRP  27  -4.641   6.232   6.232
  172   2HB   TRP  27          2HB       TRP  27  -5.603   6.310   6.310
  173    HD1  TRP  27           HD1      TRP  27  -3.455   9.156   9.156
  174    HE1  TRP  27           HE1      TRP  27  -1.529   9.661   9.661
  175    HE3  TRP  27           HE3      TRP  27  -4.521   5.726   5.726
  176    HZ2  TRP  27           HZ2      TRP  27  -0.478   8.592   8.592
  177    HZ3  TRP  27           HZ3      TRP  27  -2.987   5.419   5.419
  178    HH2  TRP  27           HH2      TRP  27  -0.945   6.783   6.783
  179    H    GLU  28           H        GLU  28  -6.083   5.533   5.533
  180    HA   GLU  28           HA       GLU  28  -8.878   4.714   4.714
  181   1HB   GLU  28          1HB       GLU  28  -6.284   3.460   3.460
  182   2HB   GLU  28          2HB       GLU  28  -7.357   3.023   3.023
  183   1HG   GLU  28          1HG       GLU  28  -7.964   2.715   2.715
  184   2HG   GLU  28          2HG       GLU  28  -7.410   1.424   1.424
  185    H    LYS  29           H        LYS  29  -9.202   3.585   3.585
  186    HA   LYS  29           HA       LYS  29  -9.257   5.765   5.765
  187   1HB   LYS  29          1HB       LYS  29 -11.748   4.580   4.580
  188   2HB   LYS  29          2HB       LYS  29 -11.813   5.633   5.633
  189   1HG   LYS  29          1HG       LYS  29 -10.838   6.471   6.471
  190   2HG   LYS  29          2HG       LYS  29 -12.433   6.763   6.763
  191   1HD   LYS  29          1HD       LYS  29 -11.729   8.283   8.283
  192   2HD   LYS  29          2HD       LYS  29 -10.046   7.776   7.776
  193   1HE   LYS  29          1HE       LYS  29 -11.432   9.214   9.214
  194   2HE   LYS  29          2HE       LYS  29 -10.469   9.996   9.996
  195   1HZ   LYS  29          1HZ       LYS  29  -9.296   7.801   7.801
  196   2HZ   LYS  29          2HZ       LYS  29  -9.340   9.352   9.352
  197    H    ALA  30           H        ALA  30  -7.834   3.814   3.814
  198    HA   ALA  30           HA       ALA  30  -9.015   1.628   1.628
  199   1HB   ALA  30          1HB       ALA  30  -6.829   1.567   1.567
  200   2HB   ALA  30          2HB       ALA  30  -6.137   2.610   2.610
  201   3HB   ALA  30          3HB       ALA  30  -6.712   0.980   0.980
  202    H    SER  31           H        SER  31  -8.245   1.566   1.566
  203    HA   SER  31           HA       SER  31  -8.824   3.930   3.930
  204   1HB   SER  31          1HB       SER  31  -7.229   1.502   1.502
  205   2HB   SER  31          2HB       SER  31  -8.153   2.598   2.598
  206    HG   SER  31           HG       SER  31 -10.045   1.859   1.859
  207    H    HIS  32           H        HIS  32  -5.810   2.265   2.265
  208    HA   HIS  32           HA       HIS  32  -4.525   4.733   4.733
  209   1HB   HIS  32          1HB       HIS  32  -2.960   4.935   4.935
  210   2HB   HIS  32          2HB       HIS  32  -4.358   4.514   4.514
  211    HD1  HIS  32           HD1      HIS  32  -0.858   3.768   3.768
  212    HD2  HIS  32           HD2      HIS  32  -4.362   1.519   1.519
  213    HE1  HIS  32           HE1      HIS  32  -0.218   1.433   1.433
  214    H    GLY  33           H        GLY  33  -1.819   4.025   4.025
  215   1HA   GLY  33          1HA       GLY  33  -1.546   1.505   1.505
  216   2HA   GLY  33          2HA       GLY  33  -0.896   2.952   2.952
  217    H    ALA  34           H        ALA  34   0.664   0.678   0.678
  218    HA   ALA  34           HA       ALA  34   2.808   1.986   1.986
  219   1HB   ALA  34          1HB       ALA  34   1.593   1.101   1.101
  220   2HB   ALA  34          2HB       ALA  34   1.663  -0.528  -0.528
  221   3HB   ALA  34          3HB       ALA  34   3.156   0.296   0.296
  222    H    CYS  35           H        CYS  35   4.825   1.160   1.160
  223    HA   CYS  35           HA       CYS  35   4.455  -0.738  -0.738
  224   1HB   CYS  35          1HB       CYS  35   6.873   0.781   0.781
  225   2HB   CYS  35          2HB       CYS  35   6.865  -0.360  -0.360
  226    H    HIS  36           H        HIS  36   5.493  -2.824  -2.824
  227    HA   HIS  36           HA       HIS  36   7.190  -3.780  -3.780
  228   1HB   HIS  36          1HB       HIS  36   5.109  -5.657  -5.657
  229   2HB   HIS  36          2HB       HIS  36   6.104  -5.791  -5.791
  230    HD1  HIS  36           HD1      HIS  36   5.320  -3.056  -3.056
  231    HD2  HIS  36           HD2      HIS  36   2.744  -5.567  -5.567
  232    HE1  HIS  36           HE1      HIS  36   3.014  -2.785  -2.785
  233    H    LYS  37           H        LYS  37   8.712  -5.326  -5.326
  234    HA   LYS  37           HA       LYS  37   8.996  -5.735  -5.735
  235   1HB   LYS  37          1HB       LYS  37  10.859  -5.138  -5.138
  236   2HB   LYS  37          2HB       LYS  37  10.757  -6.646  -6.646
  237   1HG   LYS  37          1HG       LYS  37  10.957  -7.693  -7.693
  238   2HG   LYS  37          2HG       LYS  37  11.400  -6.136  -6.136
  239   1HD   LYS  37          1HD       LYS  37  12.907  -7.304  -7.304
  240   2HD   LYS  37          2HD       LYS  37  13.111  -8.106  -8.106
  241   1HE   LYS  37          1HE       LYS  37  13.540  -5.536  -5.536
  242   2HE   LYS  37          2HE       LYS  37  14.046  -5.427  -5.427
  243   1HZ   LYS  37          1HZ       LYS  37  15.082  -7.719  -7.719
  244   2HZ   LYS  37          2HZ       LYS  37  15.527  -6.280  -6.280
  245    H    ARG  38           H        ARG  38   8.194  -7.397  -7.397
  246    HA   ARG  38           HA       ARG  38   7.785 -10.039 -10.039
  247   1HB   ARG  38          1HB       ARG  38   5.696  -8.610  -8.610
  248   2HB   ARG  38          2HB       ARG  38   5.814  -8.452  -8.452
  249   1HG   ARG  38          1HG       ARG  38   4.173 -10.056 -10.056
  250   2HG   ARG  38          2HG       ARG  38   5.514 -10.920 -10.920
  251   1HD   ARG  38          1HD       ARG  38   5.318 -10.686 -10.686
  252   2HD   ARG  38          2HD       ARG  38   4.251 -11.821 -11.821
  253   1HH1  ARG  38          1HH2      ARG  38   5.480 -12.190 -12.190
  254   2HH1  ARG  38          2HH2      ARG  38   6.470 -13.463 -13.463
  255   1HH2  ARG  38          1HH1      ARG  38   7.884 -14.225 -14.225
  256   2HH2  ARG  38          2HH1      ARG  38   7.900 -14.671 -14.671
  257    H    GLU  39           H        GLU  39   8.670 -11.591 -11.591
  258    HA   GLU  39           HA       GLU  39  10.035 -12.345 -12.345
  259   1HB   GLU  39          1HB       GLU  39   8.022 -11.105 -11.105
  260   2HB   GLU  39          2HB       GLU  39   9.050 -12.522 -12.522
  261   1HG   GLU  39          1HG       GLU  39   6.607 -12.251 -12.251
  262   2HG   GLU  39          2HG       GLU  39   6.836 -13.330 -13.330
  263    H    ASN  40           H        ASN  40  11.230 -10.372 -10.372
  264    HA   ASN  40           HA       ASN  40  12.708  -8.756  -8.756
  265   1HB   ASN  40          1HB       ASN  40  13.605 -10.266 -10.266
  266   2HB   ASN  40          2HB       ASN  40  12.807  -9.199  -9.199
  267   1HD2  ASN  40          2HD2      ASN  40  14.770  -8.375  -8.375
  268   2HD2  ASN  40          1HD2      ASN  40  15.914  -7.407  -7.407
  269    H    HIS  41           H        HIS  41   9.725  -8.234  -8.234
  270    HA   HIS  41           HA       HIS  41  10.391  -5.520  -5.520
  271   1HB   HIS  41          1HB       HIS  41   8.041  -7.366  -7.366
  272   2HB   HIS  41          2HB       HIS  41   8.027  -5.671  -5.671
  273    HD1  HIS  41           HD1      HIS  41  10.325  -4.908  -4.908
  274    HD2  HIS  41           HD2      HIS  41   9.174  -8.981  -8.981
  275    HE1  HIS  41           HE1      HIS  41  11.638  -6.075  -6.075
  276    H    TRP  42           H        TRP  42  10.231  -3.990  -3.990
  277    HA   TRP  42           HA       TRP  42   8.404  -3.839  -3.839
  278   1HB   TRP  42          1HB       TRP  42   9.949  -1.799  -1.799
  279   2HB   TRP  42          2HB       TRP  42   8.891  -1.414  -1.414
  280    HD1  TRP  42           HD1      TRP  42  12.124  -3.264  -3.264
  281    HE1  TRP  42           HE1      TRP  42  13.454  -3.545  -3.545
  282    HE3  TRP  42           HE3      TRP  42   8.529  -1.855  -1.855
  283    HZ2  TRP  42           HZ2      TRP  42  12.843  -3.659  -3.659
  284    HZ3  TRP  42           HZ3      TRP  42   8.924  -2.030  -2.030
  285    HH2  TRP  42           HH2      TRP  42  11.071  -2.963  -2.963
  286    H    LYS  43           H        LYS  43   6.208  -4.093  -4.093
  287    HA   LYS  43           HA       LYS  43   5.019  -2.635  -2.635
  288   1HB   LYS  43          1HB       LYS  43   3.416  -4.382  -4.382
  289   2HB   LYS  43          2HB       LYS  43   3.189  -4.055  -4.055
  290   1HG   LYS  43          1HG       LYS  43   5.288  -5.758  -5.758
  291   2HG   LYS  43          2HG       LYS  43   4.019  -6.416  -6.416
  292   1HD   LYS  43          1HD       LYS  43   6.100  -4.724  -4.724
  293   2HD   LYS  43          2HD       LYS  43   6.041  -6.477  -6.477
  294   1HE   LYS  43          1HE       LYS  43   5.195  -5.978  -5.978
  295   2HE   LYS  43          2HE       LYS  43   3.801  -6.476  -6.476
  296   1HZ   LYS  43          1HZ       LYS  43   4.126  -4.201  -4.201
  297   2HZ   LYS  43          2HZ       LYS  43   2.840  -4.567  -4.567
  298    H    CYS  44           H        CYS  44   3.566  -0.959  -0.959
  299    HA   CYS  44           HA       CYS  44   3.356  -0.031  -0.031
  300   1HB   CYS  44          1HB       CYS  44   3.441   1.660   1.660
  301   2HB   CYS  44          2HB       CYS  44   2.305   0.901   0.901
  302    H    PHE  45           H        PHE  45   2.105  -1.386  -1.386
  303    HA   PHE  45           HA       PHE  45  -0.183  -2.814  -2.814
  304   1HB   PHE  45          1HB       PHE  45   1.200  -2.938  -2.938
  305   2HB   PHE  45          2HB       PHE  45  -0.404  -3.573  -3.573
  306    HD1  PHE  45           HD1      PHE  45   2.947  -3.825  -3.825
  307    HD2  PHE  45           HD2      PHE  45  -0.677  -5.824  -5.824
  308    HE1  PHE  45           HE1      PHE  45   3.927  -6.009  -6.009
  309    HE2  PHE  45           HE2      PHE  45   0.268  -7.986  -7.986
  310    HZ   PHE  45           HZ       PHE  45   2.573  -8.088  -8.088
  311    H    CYS  46           H        CYS  46  -2.268  -2.335  -2.335
  312    HA   CYS  46           HA       CYS  46  -2.802   0.239   0.239
  313   1HB   CYS  46          1HB       CYS  46  -4.366  -1.146  -1.146
  314   2HB   CYS  46          2HB       CYS  46  -4.852   0.294   0.294
  315    H    TYR  47           H        TYR  47  -4.556   0.231   0.231
  316    HA   TYR  47           HA       TYR  47  -5.260  -2.436  -2.436
  317   1HB   TYR  47          1HB       TYR  47  -4.277   0.202   0.202
  318   2HB   TYR  47          2HB       TYR  47  -5.046  -0.953  -0.953
  319    HD1  TYR  47           HD2      TYR  47  -2.118  -0.397  -0.397
  320    HD2  TYR  47           HD1      TYR  47  -3.853  -2.826  -2.826
  321    HE1  TYR  47           HE2      TYR  47   0.046  -1.536  -1.536
  322    HE2  TYR  47           HE1      TYR  47  -1.633  -3.803  -3.803
  323    HH   TYR  47           HH       TYR  47   0.473  -4.116  -4.116
  324    H    PHE  48           H        PHE  48  -7.476  -2.555  -2.555
  325    HA   PHE  48           HA       PHE  48  -9.145  -0.103  -0.103
  326   1HB   PHE  48          1HB       PHE  48  -9.411  -2.911  -2.911
  327   2HB   PHE  48          2HB       PHE  48 -10.754  -1.829  -1.829
  328    HD1  PHE  48           HD2      PHE  48  -7.289  -2.063  -2.063
  329    HD2  PHE  48           HD1      PHE  48 -11.240  -0.339  -0.339
  330    HE1  PHE  48           HE2      PHE  48  -6.655  -0.980  -0.980
  331    HE2  PHE  48           HE1      PHE  48 -10.627   0.598   0.598
  332    HZ   PHE  48           HZ       PHE  48  -8.340   0.243   0.243
  333    H    ASN  49           H        ASN  49 -11.417  -0.857  -0.857
  334    HA   ASN  49           HA       ASN  49 -12.705  -1.481  -1.481
  335   1HB   ASN  49          1HB       ASN  49 -11.107  -4.024  -4.024
  336   2HB   ASN  49          2HB       ASN  49 -12.651  -3.967  -3.967
  337   1HD2  ASN  49          2HD2      ASN  49 -12.944  -5.640  -5.640
  338   2HD2  ASN  49          1HD2      ASN  49 -13.638  -4.948  -4.948
  339    H    CYS  50           H        CYS  50  -9.985  -0.334  -0.334
  340    HA   CYS  50           HA       CYS  50  -9.332  -1.997  -1.997
  341   1HB   CYS  50          1HB       CYS  50  -7.644  -1.122  -1.122
  342   2HB   CYS  50          2HB       CYS  50  -8.032   0.467   0.467

  Start of MODEL   14
    1   1H    LEU   1          3H        LEU   1 -12.160  -3.904  -3.904
    2   2H    LEU   1          1H        LEU   1 -12.206  -4.521  -4.521
    3   3H    LEU   1          2H        LEU   1 -10.984  -3.456  -3.456
    4    HA   LEU   1           HA       LEU   1 -10.158  -5.663  -5.663
    5   1HB   LEU   1          1HB       LEU   1 -12.468  -6.605  -6.605
    6   2HB   LEU   1          2HB       LEU   1 -12.007  -6.415  -6.415
    7    HG   LEU   1           HG       LEU   1 -10.606  -8.102  -8.102
    8   1HD1  LEU   1          1HD1      LEU   1 -12.786  -8.980  -8.980
    9   2HD1  LEU   1          2HD1      LEU   1 -12.224  -8.898  -8.898
   10   3HD1  LEU   1          3HD1      LEU   1 -11.446 -10.007 -10.007
   11   1HD2  LEU   1          1HD2      LEU   1  -9.913  -7.712  -7.712
   12   2HD2  LEU   1          2HD2      LEU   1  -8.857  -7.441  -7.441
   13   3HD2  LEU   1          3HD2      LEU   1  -9.340  -9.077  -9.077
   14    H    CYS   2           H        CYS   2  -8.243  -4.967  -4.967
   15    HA   CYS   2           HA       CYS   2  -7.955  -3.292  -3.292
   16   1HB   CYS   2          1HB       CYS   2  -5.662  -4.585  -4.585
   17   2HB   CYS   2          2HB       CYS   2  -5.755  -3.002  -3.002
   18    H    ASN   3           H        ASN   3  -8.698  -4.273  -4.273
   19    HA   ASN   3           HA       ASN   3  -7.528  -6.808  -6.808
   20   1HB   ASN   3          1HB       ASN   3  -9.039  -4.857  -4.857
   21   2HB   ASN   3          2HB       ASN   3  -8.744  -6.547  -6.547
   22   1HD2  ASN   3          2HD2      ASN   3  -9.586  -8.008  -8.008
   23   2HD2  ASN   3          1HD2      ASN   3 -11.226  -7.588  -7.588
   24    H    GLU   4           H        GLU   4  -5.337  -6.515  -6.515
   25    HA   GLU   4           HA       GLU   4  -3.928  -4.429  -4.429
   26   1HB   GLU   4          1HB       GLU   4  -2.953  -5.537  -5.537
   27   2HB   GLU   4          2HB       GLU   4  -3.180  -7.134  -7.134
   28   1HG   GLU   4          1HG       GLU   4  -1.659  -6.652  -6.652
   29   2HG   GLU   4          2HG       GLU   4  -1.439  -4.959  -4.959
   30    H    ARG   5           H        ARG   5  -3.671  -4.380  -4.380
   31    HA   ARG   5           HA       ARG   5  -4.176  -6.754  -6.754
   32   1HB   ARG   5          1HB       ARG   5  -6.215  -5.356  -5.356
   33   2HB   ARG   5          2HB       ARG   5  -5.336  -3.966  -3.966
   34   1HG   ARG   5          1HG       ARG   5  -5.140  -5.316  -5.316
   35   2HG   ARG   5          2HG       ARG   5  -6.273  -6.492  -6.492
   36   1HD   ARG   5          1HD       ARG   5  -6.703  -3.529  -3.529
   37   2HD   ARG   5          2HD       ARG   5  -7.338  -4.835  -4.835
   38   1HH1  ARG   5          1HH2      ARG   5  -8.552  -2.696  -2.696
   39   2HH1  ARG   5          2HH2      ARG   5  -9.984  -2.026  -2.026
   40   1HH2  ARG   5          1HH1      ARG   5 -10.268  -4.557  -4.557
   41   2HH2  ARG   5          2HH1      ARG   5 -10.990  -3.121  -3.121
   42    HA   PRO   6           HA       PRO   6  -0.457  -5.059  -5.059
   43   1HB   PRO   6          1HB       PRO   6  -0.396  -6.235  -6.235
   44   2HB   PRO   6          2HB       PRO   6  -0.132  -7.118  -7.118
   45   1HG   PRO   6          1HG       PRO   6  -2.710  -6.869  -6.869
   46   2HG   PRO   6          2HG       PRO   6  -1.956  -8.364  -8.364
   47   1HD   PRO   6          1HD       PRO   6  -3.946  -7.111  -7.111
   48   2HD   PRO   6          2HD       PRO   6  -2.579  -7.795  -7.795
   49    H    SER   7           H        SER   7   0.403  -3.949  -3.949
   50    HA   SER   7           HA       SER   7  -0.782  -1.458  -1.458
   51   1HB   SER   7          1HB       SER   7   0.847  -1.457  -1.457
   52   2HB   SER   7          2HB       SER   7   1.544  -1.708  -1.708
   53    HG   SER   7           HG       SER   7   0.779  -3.766  -3.766
   54    H    GLN   8           H        GLN   8  -2.762  -1.128  -1.128
   55    HA   GLN   8           HA       GLN   8  -3.491  -2.496  -2.496
   56   1HB   GLN   8          1HB       GLN   8  -4.962  -0.470  -0.470
   57   2HB   GLN   8          2HB       GLN   8  -5.541  -1.174  -1.174
   58   1HG   GLN   8          1HG       GLN   8  -5.396  -3.453  -3.453
   59   2HG   GLN   8          2HG       GLN   8  -4.919  -2.675  -2.675
   60   1HE2  GLN   8          2HE2      GLN   8  -7.501  -2.403  -2.403
   61   2HE2  GLN   8          1HE2      GLN   8  -8.802  -2.128  -2.128
   62    H    THR   9           H        THR   9  -3.229   0.930   0.930
   63    HA   THR   9           HA       THR   9  -3.032   1.984   1.984
   64    HB   THR   9           HB       THR   9  -2.338   4.073   4.073
   65    HG1  THR   9           HG1      THR   9  -3.017   2.721   2.721
   66   1HG2  THR   9          3HG2      THR   9  -4.905   2.673   2.673
   67   2HG2  THR   9          1HG2      THR   9  -4.541   4.382   4.382
   68   3HG2  THR   9          2HG2      THR   9  -4.657   3.788   3.788
   69    H    TRP  10           H        TRP  10  -0.810   1.608   1.608
   70    HA   TRP  10           HA       TRP  10   1.438   2.722   2.722
   71   1HB   TRP  10          1HB       TRP  10   0.914   2.265   2.265
   72   2HB   TRP  10          2HB       TRP  10   1.411   0.601   0.601
   73    HD1  TRP  10           HD1      TRP  10   4.070   0.296   0.296
   74    HE1  TRP  10           HE1      TRP  10   6.142   1.684   1.684
   75    HE3  TRP  10           HE3      TRP  10   1.718   4.496   4.496
   76    HZ2  TRP  10           HZ2      TRP  10   6.682   4.254   4.254
   77    HZ3  TRP  10           HZ3      TRP  10   3.005   6.427   6.427
   78    HH2  TRP  10           HH2      TRP  10   5.535   6.268   6.268
   79    H    SER  11           H        SER  11   3.286   1.882   1.882
   80    HA   SER  11           HA       SER  11   2.792  -0.360  -0.360
   81   1HB   SER  11          1HB       SER  11   5.284   1.379   1.379
   82   2HB   SER  11          2HB       SER  11   4.583   0.576   0.576
   83    HG   SER  11           HG       SER  11   2.723   1.986   1.986
   84    H    GLY  12           H        GLY  12   5.956  -0.630  -0.630
   85   1HA   GLY  12          1HA       GLY  12   6.085  -3.221  -3.221
   86   2HA   GLY  12          2HA       GLY  12   7.403  -2.269  -2.269
   87    H    ASN  13           H        ASN  13   8.578  -1.098  -1.098
   88    HA   ASN  13           HA       ASN  13   8.754  -2.082  -2.082
   89   1HB   ASN  13          1HB       ASN  13  10.667  -1.800  -1.800
   90   2HB   ASN  13          2HB       ASN  13  10.667  -0.091  -0.091
   91   1HD2  ASN  13          2HD2      ASN  13  11.708   0.417   0.417
   92   2HD2  ASN  13          1HD2      ASN  13  12.249  -0.793  -0.793
   93    H    CYS  14           H        CYS  14   9.489  -0.321  -0.321
   94    HA   CYS  14           HA       CYS  14   7.865   2.117   2.117
   95   1HB   CYS  14          1HB       CYS  14   6.380   0.175   0.175
   96   2HB   CYS  14          2HB       CYS  14   7.423  -0.166  -0.166
   97    H    GLY  15           H        GLY  15   8.427   3.398   3.398
   98   1HA   GLY  15          1HA       GLY  15  10.557   2.627   2.627
   99   2HA   GLY  15          2HA       GLY  15  11.128   3.723   3.723
  100    H    ASN  16           H        ASN  16   9.107   5.375   5.375
  101    HA   ASN  16           HA       ASN  16   8.920   7.051   7.051
  102   1HB   ASN  16          1HB       ASN  16   9.112   7.862   7.862
  103   2HB   ASN  16          2HB       ASN  16   7.441   7.364   7.364
  104   1HD2  ASN  16          2HD2      ASN  16   8.669  10.116  10.116
  105   2HD2  ASN  16          1HD2      ASN  16   7.782  11.016  11.016
  106    H    THR  17           H        THR  17   8.013   5.321   5.321
  107    HA   THR  17           HA       THR  17   5.463   4.264   4.264
  108    HB   THR  17           HB       THR  17   7.216   3.408   3.408
  109    HG1  THR  17           HG1      THR  17   4.651   3.724   3.724
  110   1HG2  THR  17          2HG2      THR  17   7.765   5.495   5.495
  111   2HG2  THR  17          3HG2      THR  17   6.161   5.450   5.450
  112   3HG2  THR  17          1HG2      THR  17   7.329   4.153   4.153
  113    H    ALA  18           H        ALA  18   6.335   7.448   7.448
  114    HA   ALA  18           HA       ALA  18   3.778   8.166   8.166
  115   1HB   ALA  18          1HB       ALA  18   5.777   9.547   9.547
  116   2HB   ALA  18          2HB       ALA  18   5.856   9.910   9.910
  117   3HB   ALA  18          3HB       ALA  18   4.479  10.475  10.475
  118    H    HIS  19           H        HIS  19   5.191   8.518   8.518
  119    HA   HIS  19           HA       HIS  19   2.806   9.446   9.446
  120   1HB   HIS  19          1HB       HIS  19   4.994   9.604   9.604
  121   2HB   HIS  19          2HB       HIS  19   5.083   7.870   7.870
  122    HD1  HIS  19           HD1      HIS  19   5.444   8.383   8.383
  123    HD2  HIS  19           HD2      HIS  19   1.683   9.398   9.398
  124    HE1  HIS  19           HE1      HIS  19   3.770   8.429   8.429
  125    H    CYS  20           H        CYS  20   4.052   6.093   6.093
  126    HA   CYS  20           HA       CYS  20   2.011   4.657   4.657
  127   1HB   CYS  20          1HB       CYS  20   3.848   3.447   3.447
  128   2HB   CYS  20          2HB       CYS  20   3.383   4.056   4.056
  129    H    ASP  21           H        ASP  21   2.017   5.851   5.851
  130    HA   ASP  21           HA       ASP  21  -0.636   4.999   4.999
  131   1HB   ASP  21          1HB       ASP  21   0.913   5.611   5.611
  132   2HB   ASP  21          2HB       ASP  21   1.076   7.261   7.261
  133    H    LYS  22           H        LYS  22   0.647   8.143   8.143
  134    HA   LYS  22           HA       LYS  22  -1.767   9.551   9.551
  135   1HB   LYS  22          1HB       LYS  22   0.357   9.677   9.677
  136   2HB   LYS  22          2HB       LYS  22  -1.013  10.754  10.754
  137   1HG   LYS  22          1HG       LYS  22  -0.088  11.048  11.048
  138   2HG   LYS  22          2HG       LYS  22   1.319  10.300  10.300
  139   1HD   LYS  22          1HD       LYS  22   1.884  12.525  12.525
  140   2HD   LYS  22          2HD       LYS  22   1.209  12.212  12.212
  141   1HE   LYS  22          1HE       LYS  22  -0.230  13.499  13.499
  142   2HE   LYS  22          2HE       LYS  22   0.478  14.381  14.381
  143   1HZ   LYS  22          1HZ       LYS  22  -1.307  12.453  12.453
  144   2HZ   LYS  22          2HZ       LYS  22  -2.076  13.378  13.378
  145    H    GLN  23           H        GLN  23  -0.375   7.386   7.386
  146    HA   GLN  23           HA       GLN  23  -2.553   7.611   7.611
  147   1HB   GLN  23          1HB       GLN  23  -1.015   5.048   5.048
  148   2HB   GLN  23          2HB       GLN  23  -2.054   5.690   5.690
  149   1HG   GLN  23          1HG       GLN  23  -0.362   7.786   7.786
  150   2HG   GLN  23          2HG       GLN  23   0.714   6.496   6.496
  151   1HE2  GLN  23          2HE2      GLN  23  -0.819   4.578   4.578
  152   2HE2  GLN  23          1HE2      GLN  23   0.008   5.092   5.092
  153    H    CYS  24           H        CYS  24  -1.968   5.091   5.091
  154    HA   CYS  24           HA       CYS  24  -4.277   3.654   3.654
  155   1HB   CYS  24          1HB       CYS  24  -2.752   4.035   4.035
  156   2HB   CYS  24          2HB       CYS  24  -3.975   2.787   2.787
  157    H    GLN  25           H        GLN  25  -3.959   6.470   6.470
  158    HA   GLN  25           HA       GLN  25  -6.754   6.203   6.203
  159   1HB   GLN  25          1HB       GLN  25  -4.778   8.470   8.470
  160   2HB   GLN  25          2HB       GLN  25  -6.314   8.219   8.219
  161   1HG   GLN  25          1HG       GLN  25  -5.507   6.066   6.066
  162   2HG   GLN  25          2HG       GLN  25  -3.916   6.365   6.365
  163   1HE2  GLN  25          2HE2      GLN  25  -5.731   6.809   6.809
  164   2HE2  GLN  25          1HE2      GLN  25  -5.030   8.343   8.343
  165    H    ASP  26           H        ASP  26  -4.924   8.217   8.217
  166    HA   ASP  26           HA       ASP  26  -7.108  10.131  10.131
  167   1HB   ASP  26          1HB       ASP  26  -4.407   9.954   9.954
  168   2HB   ASP  26          2HB       ASP  26  -5.558  11.248  11.248
  169    H    TRP  27           H        TRP  27  -5.191   7.942   7.942
  170    HA   TRP  27           HA       TRP  27  -6.803   8.357   8.357
  171   1HB   TRP  27          1HB       TRP  27  -4.560   6.404   6.404
  172   2HB   TRP  27          2HB       TRP  27  -5.403   6.374   6.374
  173    HD1  TRP  27           HD1      TRP  27  -4.235   9.669   9.669
  174    HE1  TRP  27           HE1      TRP  27  -2.273  10.642  10.642
  175    HE3  TRP  27           HE3      TRP  27  -3.791   6.015   6.015
  176    HZ2  TRP  27           HZ2      TRP  27  -0.628   9.846   9.846
  177    HZ3  TRP  27           HZ3      TRP  27  -1.963   6.080   6.080
  178    HH2  TRP  27           HH2      TRP  27  -0.370   7.961   7.961
  179    H    GLU  28           H        GLU  28  -6.048   5.616   5.616
  180    HA   GLU  28           HA       GLU  28  -8.504   4.121   4.121
  181   1HB   GLU  28          1HB       GLU  28  -6.121   3.538   3.538
  182   2HB   GLU  28          2HB       GLU  28  -7.479   2.438   2.438
  183   1HG   GLU  28          1HG       GLU  28  -7.144   2.131   2.131
  184   2HG   GLU  28          2HG       GLU  28  -5.876   3.370   3.370
  185    H    LYS  29           H        LYS  29  -8.702   3.266   3.266
  186    HA   LYS  29           HA       LYS  29  -9.512   5.532   5.532
  187   1HB   LYS  29          1HB       LYS  29 -11.619   3.804   3.804
  188   2HB   LYS  29          2HB       LYS  29 -11.998   4.639   4.639
  189   1HG   LYS  29          1HG       LYS  29 -11.228   6.057   6.057
  190   2HG   LYS  29          2HG       LYS  29 -12.848   5.788   5.788
  191   1HD   LYS  29          1HD       LYS  29 -12.793   7.319   7.319
  192   2HD   LYS  29          2HD       LYS  29 -11.100   7.079   7.079
  193   1HE   LYS  29          1HE       LYS  29 -12.053   8.551   8.551
  194   2HE   LYS  29          2HE       LYS  29 -11.637   9.340   9.340
  195   1HZ   LYS  29          1HZ       LYS  29  -9.724   7.551   7.551
  196   2HZ   LYS  29          2HZ       LYS  29  -9.853   9.171   9.171
  197    H    ALA  30           H        ALA  30  -7.718   3.956   3.956
  198    HA   ALA  30           HA       ALA  30  -8.673   1.714   1.714
  199   1HB   ALA  30          1HB       ALA  30  -6.716   1.496   1.496
  200   2HB   ALA  30          2HB       ALA  30  -5.885   2.731   2.731
  201   3HB   ALA  30          3HB       ALA  30  -6.300   1.167   1.167
  202    H    SER  31           H        SER  31  -7.853   1.676   1.676
  203    HA   SER  31           HA       SER  31  -8.197   4.033   4.033
  204   1HB   SER  31          1HB       SER  31  -6.747   1.464   1.464
  205   2HB   SER  31          2HB       SER  31  -7.481   2.599   2.599
  206    HG   SER  31           HG       SER  31  -9.511   2.124   2.124
  207    H    HIS  32           H        HIS  32  -5.279   2.285   2.285
  208    HA   HIS  32           HA       HIS  32  -3.874   4.743   4.743
  209   1HB   HIS  32          1HB       HIS  32  -2.148   4.574   4.574
  210   2HB   HIS  32          2HB       HIS  32  -3.547   4.130   4.130
  211    HD1  HIS  32           HD1      HIS  32  -0.105   3.005   3.005
  212    HD2  HIS  32           HD2      HIS  32  -3.789   1.264   1.264
  213    HE1  HIS  32           HE1      HIS  32   0.369   0.623   0.623
  214    H    GLY  33           H        GLY  33  -1.450   4.162   4.162
  215   1HA   GLY  33          1HA       GLY  33  -1.267   1.526   1.526
  216   2HA   GLY  33          2HA       GLY  33  -0.675   2.910   2.910
  217    H    ALA  34           H        ALA  34   0.996   0.798   0.798
  218    HA   ALA  34           HA       ALA  34   3.173   2.140   2.140
  219   1HB   ALA  34          1HB       ALA  34   2.080  -0.391  -0.391
  220   2HB   ALA  34          2HB       ALA  34   3.654   0.337   0.337
  221   3HB   ALA  34          3HB       ALA  34   2.163   1.220   1.220
  222    H    CYS  35           H        CYS  35   5.184   1.419   1.419
  223    HA   CYS  35           HA       CYS  35   5.063  -0.362  -0.362
  224   1HB   CYS  35          1HB       CYS  35   7.378   0.817   0.817
  225   2HB   CYS  35          2HB       CYS  35   7.523  -0.127  -0.127
  226    H    HIS  36           H        HIS  36   5.794  -2.621  -2.621
  227    HA   HIS  36           HA       HIS  36   7.376  -3.659  -3.659
  228   1HB   HIS  36          1HB       HIS  36   5.236  -5.370  -5.370
  229   2HB   HIS  36          2HB       HIS  36   6.185  -5.655  -5.655
  230    HD1  HIS  36           HD1      HIS  36   5.446  -2.795  -2.795
  231    HD2  HIS  36           HD2      HIS  36   2.939  -5.494  -5.494
  232    HE1  HIS  36           HE1      HIS  36   3.169  -2.620  -2.620
  233    H    LYS  37           H        LYS  37   8.835  -5.308  -5.308
  234    HA   LYS  37           HA       LYS  37   9.179  -5.785  -5.785
  235   1HB   LYS  37          1HB       LYS  37  11.040  -5.387  -5.387
  236   2HB   LYS  37          2HB       LYS  37  10.740  -6.890  -6.890
  237   1HG   LYS  37          1HG       LYS  37  10.886  -7.856  -7.856
  238   2HG   LYS  37          2HG       LYS  37  11.593  -6.333  -6.333
  239   1HD   LYS  37          1HD       LYS  37  12.799  -7.832  -7.832
  240   2HD   LYS  37          2HD       LYS  37  13.004  -8.536  -8.536
  241   1HE   LYS  37          1HE       LYS  37  13.831  -6.104  -6.104
  242   2HE   LYS  37          2HE       LYS  37  14.090  -5.933  -5.933
  243   1HZ   LYS  37          1HZ       LYS  37  15.098  -8.378  -8.378
  244   2HZ   LYS  37          2HZ       LYS  37  15.775  -7.018  -7.018
  245    H    ARG  38           H        ARG  38   8.190  -7.323  -7.323
  246    HA   ARG  38           HA       ARG  38   7.518  -9.927  -9.927
  247   1HB   ARG  38          1HB       ARG  38   5.446  -8.667  -8.667
  248   2HB   ARG  38          2HB       ARG  38   5.784  -8.112  -8.112
  249   1HG   ARG  38          1HG       ARG  38   4.067  -9.762  -9.762
  250   2HG   ARG  38          2HG       ARG  38   5.526 -10.420 -10.420
  251   1HD   ARG  38          1HD       ARG  38   5.919 -11.598 -11.598
  252   2HD   ARG  38          2HD       ARG  38   4.266 -11.077 -11.077
  253   1HH1  ARG  38          1HH2      ARG  38   3.994 -13.021 -13.021
  254   2HH1  ARG  38          2HH2      ARG  38   3.366 -14.623 -14.623
  255   1HH2  ARG  38          1HH1      ARG  38   3.886 -14.515 -14.515
  256   2HH2  ARG  38          2HH1      ARG  38   3.246 -15.509 -15.509
  257    H    GLU  39           H        GLU  39   8.521 -11.518 -11.518
  258    HA   GLU  39           HA       GLU  39   9.764 -12.513 -12.513
  259   1HB   GLU  39          1HB       GLU  39   7.553 -11.254 -11.254
  260   2HB   GLU  39          2HB       GLU  39   8.682 -12.480 -12.480
  261   1HG   GLU  39          1HG       GLU  39   7.907 -14.122 -14.122
  262   2HG   GLU  39          2HG       GLU  39   6.955 -12.933 -12.933
  263    H    ASN  40           H        ASN  40  10.863 -10.228 -10.228
  264    HA   ASN  40           HA       ASN  40  12.355  -8.642  -8.642
  265   1HB   ASN  40          1HB       ASN  40  13.332 -10.658 -10.658
  266   2HB   ASN  40          2HB       ASN  40  12.908  -9.755  -9.755
  267   1HD2  ASN  40          2HD2      ASN  40  14.966  -9.031  -9.031
  268   2HD2  ASN  40          1HD2      ASN  40  16.105  -8.145  -8.145
  269    H    HIS  41           H        HIS  41   9.570  -8.144  -8.144
  270    HA   HIS  41           HA       HIS  41  10.360  -5.717  -5.717
  271   1HB   HIS  41          1HB       HIS  41   7.853  -7.392  -7.392
  272   2HB   HIS  41          2HB       HIS  41   8.051  -5.873  -5.873
  273    HD1  HIS  41           HD1      HIS  41  10.339  -5.922  -5.922
  274    HD2  HIS  41           HD2      HIS  41   8.697  -9.583  -9.583
  275    HE1  HIS  41           HE1      HIS  41  11.278  -7.755  -7.755
  276    H    TRP  42           H        TRP  42  10.095  -3.866  -3.866
  277    HA   TRP  42           HA       TRP  42   8.574  -4.013  -4.013
  278   1HB   TRP  42          1HB       TRP  42  10.123  -1.843  -1.843
  279   2HB   TRP  42          2HB       TRP  42   9.091  -1.555  -1.555
  280    HD1  TRP  42           HD1      TRP  42  12.194  -3.551  -3.551
  281    HE1  TRP  42           HE1      TRP  42  13.542  -3.985  -3.985
  282    HE3  TRP  42           HE3      TRP  42   8.779  -1.976  -1.976
  283    HZ2  TRP  42           HZ2      TRP  42  13.059  -3.906  -3.906
  284    HZ3  TRP  42           HZ3      TRP  42   9.247  -2.096  -2.096
  285    HH2  TRP  42           HH2      TRP  42  11.342  -3.136  -3.136
  286    H    LYS  43           H        LYS  43   6.327  -4.276  -4.276
  287    HA   LYS  43           HA       LYS  43   5.009  -2.608  -2.608
  288   1HB   LYS  43          1HB       LYS  43   3.549  -4.470  -4.470
  289   2HB   LYS  43          2HB       LYS  43   3.142  -3.992  -3.992
  290   1HG   LYS  43          1HG       LYS  43   5.302  -5.819  -5.819
  291   2HG   LYS  43          2HG       LYS  43   3.970  -6.338  -6.338
  292   1HD   LYS  43          1HD       LYS  43   6.190  -4.641  -4.641
  293   2HD   LYS  43          2HD       LYS  43   5.860  -6.349  -6.349
  294   1HE   LYS  43          1HE       LYS  43   5.107  -5.308  -5.308
  295   2HE   LYS  43          2HE       LYS  43   3.644  -5.776  -5.776
  296   1HZ   LYS  43          1HZ       LYS  43   4.475  -3.257  -3.257
  297   2HZ   LYS  43          2HZ       LYS  43   3.014  -3.680  -3.680
  298    H    CYS  44           H        CYS  44   3.734  -0.893  -0.893
  299    HA   CYS  44           HA       CYS  44   3.366   0.034   0.034
  300   1HB   CYS  44          1HB       CYS  44   3.343   1.643   1.643
  301   2HB   CYS  44          2HB       CYS  44   2.135   0.705   0.705
  302    H    PHE  45           H        PHE  45   2.210  -1.370  -1.370
  303    HA   PHE  45           HA       PHE  45  -0.182  -2.755  -2.755
  304   1HB   PHE  45          1HB       PHE  45   1.432  -2.987  -2.987
  305   2HB   PHE  45          2HB       PHE  45  -0.242  -3.481  -3.481
  306    HD1  PHE  45           HD1      PHE  45   2.891  -4.081  -4.081
  307    HD2  PHE  45           HD2      PHE  45  -0.932  -5.601  -5.601
  308    HE1  PHE  45           HE1      PHE  45   3.526  -6.358  -6.358
  309    HE2  PHE  45           HE2      PHE  45  -0.322  -7.851  -7.851
  310    HZ   PHE  45           HZ       PHE  45   1.909  -8.236  -8.236
  311    H    CYS  46           H        CYS  46  -2.202  -2.278  -2.278
  312    HA   CYS  46           HA       CYS  46  -2.653   0.274   0.274
  313   1HB   CYS  46          1HB       CYS  46  -4.291  -1.066  -1.066
  314   2HB   CYS  46          2HB       CYS  46  -4.708   0.413   0.413
  315    H    TYR  47           H        TYR  47  -4.383   0.254   0.254
  316    HA   TYR  47           HA       TYR  47  -5.093  -2.478  -2.478
  317   1HB   TYR  47          1HB       TYR  47  -4.162   0.134   0.134
  318   2HB   TYR  47          2HB       TYR  47  -4.828  -1.150  -1.150
  319    HD1  TYR  47           HD2      TYR  47  -1.963  -0.294  -0.294
  320    HD2  TYR  47           HD1      TYR  47  -3.592  -3.053  -3.053
  321    HE1  TYR  47           HE2      TYR  47   0.244  -1.375  -1.375
  322    HE2  TYR  47           HE1      TYR  47  -1.345  -4.000  -4.000
  323    HH   TYR  47           HH       TYR  47   0.766  -4.144  -4.144
  324    H    PHE  48           H        PHE  48  -7.387  -2.571  -2.571
  325    HA   PHE  48           HA       PHE  48  -8.899  -0.026  -0.026
  326   1HB   PHE  48          1HB       PHE  48  -9.384  -2.781  -2.781
  327   2HB   PHE  48          2HB       PHE  48 -10.596  -1.556  -1.556
  328    HD1  PHE  48           HD2      PHE  48  -7.226  -2.297  -2.297
  329    HD2  PHE  48           HD1      PHE  48 -10.752   0.204   0.204
  330    HE1  PHE  48           HE2      PHE  48  -6.520  -1.416  -1.416
  331    HE2  PHE  48           HE1      PHE  48 -10.056   1.034   1.034
  332    HZ   PHE  48           HZ       PHE  48  -7.946   0.204   0.204
  333    H    ASN  49           H        ASN  49 -11.172  -0.459  -0.459
  334    HA   ASN  49           HA       ASN  49 -12.513  -0.559  -0.559
  335   1HB   ASN  49          1HB       ASN  49 -12.048  -3.521  -3.521
  336   2HB   ASN  49          2HB       ASN  49 -13.492  -2.731  -2.731
  337   1HD2  ASN  49          2HD2      ASN  49 -12.163  -4.032  -4.032
  338   2HD2  ASN  49          1HD2      ASN  49 -13.158  -3.195  -3.195
  339    H    CYS  50           H        CYS  50  -9.769  -0.159  -0.159
  340    HA   CYS  50           HA       CYS  50  -9.190  -2.275  -2.275
  341   1HB   CYS  50          1HB       CYS  50  -7.504  -1.006  -1.006
  342   2HB   CYS  50          2HB       CYS  50  -8.045   0.443   0.443

  Start of MODEL   15
    1   1H    LEU   1          3H        LEU   1 -11.815  -5.390  -5.390
    2   2H    LEU   1          1H        LEU   1 -12.134  -5.345  -5.345
    3   3H    LEU   1          2H        LEU   1 -11.593  -3.963  -3.963
    4    HA   LEU   1           HA       LEU   1  -9.829  -4.886  -4.886
    5   1HB   LEU   1          1HB       LEU   1 -10.346  -7.370  -7.370
    6   2HB   LEU   1          2HB       LEU   1  -8.931  -7.141  -7.141
    7    HG   LEU   1           HG       LEU   1 -11.837  -7.280  -7.280
    8   1HD1  LEU   1          1HD1      LEU   1 -10.954  -9.425  -9.425
    9   2HD1  LEU   1          2HD1      LEU   1  -9.549  -9.272  -9.272
   10   3HD1  LEU   1          3HD1      LEU   1 -11.178  -9.458  -9.458
   11   1HD2  LEU   1          1HD2      LEU   1  -9.223  -7.071  -7.071
   12   2HD2  LEU   1          2HD2      LEU   1 -10.551  -5.885  -5.885
   13   3HD2  LEU   1          3HD2      LEU   1 -10.799  -7.480  -7.480
   14    H    CYS   2           H        CYS   2  -7.640  -4.764  -4.764
   15    HA   CYS   2           HA       CYS   2  -7.538  -3.003  -3.003
   16   1HB   CYS   2          1HB       CYS   2  -5.146  -3.972  -3.972
   17   2HB   CYS   2          2HB       CYS   2  -5.431  -2.396  -2.396
   18    H    ASN   3           H        ASN   3  -8.325  -4.734  -4.734
   19    HA   ASN   3           HA       ASN   3  -6.531  -6.919  -6.919
   20   1HB   ASN   3          1HB       ASN   3  -8.967  -6.159  -6.159
   21   2HB   ASN   3          2HB       ASN   3  -8.175  -7.737  -7.737
   22   1HD2  ASN   3          2HD2      ASN   3 -10.974  -7.309  -7.309
   23   2HD2  ASN   3          1HD2      ASN   3 -11.289  -7.650  -7.650
   24    H    GLU   4           H        GLU   4  -4.927  -4.941  -4.941
   25    HA   GLU   4           HA       GLU   4  -3.279  -4.724  -4.724
   26   1HB   GLU   4          1HB       GLU   4  -3.282  -6.364  -6.364
   27   2HB   GLU   4          2HB       GLU   4  -3.720  -7.620  -7.620
   28   1HG   GLU   4          1HG       GLU   4  -1.793  -6.737  -6.737
   29   2HG   GLU   4          2HG       GLU   4  -1.246  -5.800  -5.800
   30    H    ARG   5           H        ARG   5  -3.607  -4.255  -4.255
   31    HA   ARG   5           HA       ARG   5  -3.557  -6.634  -6.634
   32   1HB   ARG   5          1HB       ARG   5  -5.178  -5.608  -5.608
   33   2HB   ARG   5          2HB       ARG   5  -5.885  -6.225  -6.225
   34   1HG   ARG   5          1HG       ARG   5  -6.163  -3.998  -3.998
   35   2HG   ARG   5          2HG       ARG   5  -5.186  -3.294  -3.294
   36   1HD   ARG   5          1HD       ARG   5  -7.428  -2.851  -2.851
   37   2HD   ARG   5          2HD       ARG   5  -6.893  -4.116  -4.116
   38   1HH1  ARG   5          1HH2      ARG   5  -9.240  -2.421  -2.421
   39   2HH1  ARG   5          2HH2      ARG   5 -10.882  -2.911  -2.911
   40   1HH2  ARG   5          1HH1      ARG   5 -10.156  -6.390  -6.390
   41   2HH2  ARG   5          2HH1      ARG   5 -11.406  -5.202  -5.202
   42    HA   PRO   6           HA       PRO   6  -0.270  -4.329  -4.329
   43   1HB   PRO   6          1HB       PRO   6   0.124  -5.304  -5.304
   44   2HB   PRO   6          2HB       PRO   6   0.406  -6.265  -6.265
   45   1HG   PRO   6          1HG       PRO   6  -2.072  -6.240  -6.240
   46   2HG   PRO   6          2HG       PRO   6  -1.158  -7.663  -7.663
   47   1HD   PRO   6          1HD       PRO   6  -3.383  -6.806  -6.806
   48   2HD   PRO   6          2HD       PRO   6  -1.968  -7.384  -7.384
   49    H    SER   7           H        SER   7   0.490  -2.764  -2.764
   50    HA   SER   7           HA       SER   7  -0.828  -0.657  -0.657
   51   1HB   SER   7          1HB       SER   7   0.849  -0.756  -0.756
   52   2HB   SER   7          2HB       SER   7   1.549  -0.860  -0.860
   53    HG   SER   7           HG       SER   7   0.867  -3.092  -3.092
   54    H    GLN   8           H        GLN   8  -2.877  -0.738  -0.738
   55    HA   GLN   8           HA       GLN   8  -3.102  -2.180  -2.180
   56   1HB   GLN   8          1HB       GLN   8  -5.152  -0.418  -0.418
   57   2HB   GLN   8          2HB       GLN   8  -5.376  -1.536  -1.536
   58   1HG   GLN   8          1HG       GLN   8  -4.667  -2.316  -2.316
   59   2HG   GLN   8          2HG       GLN   8  -6.247  -2.419  -2.419
   60   1HE2  GLN   8          2HE2      GLN   8  -3.353  -4.116  -4.116
   61   2HE2  GLN   8          1HE2      GLN   8  -3.631  -5.446  -5.446
   62    H    THR   9           H        THR   9  -3.275   1.020   1.020
   63    HA   THR   9           HA       THR   9  -3.337   2.569   2.569
   64    HB   THR   9           HB       THR   9  -2.787   4.421   4.421
   65    HG1  THR   9           HG1      THR   9  -3.387   2.404   2.404
   66   1HG2  THR   9          3HG2      THR   9  -5.172   2.531   2.531
   67   2HG2  THR   9          1HG2      THR   9  -5.084   4.114   4.114
   68   3HG2  THR   9          2HG2      THR   9  -5.073   3.986   3.986
   69    H    TRP  10           H        TRP  10  -0.933   2.092   2.092
   70    HA   TRP  10           HA       TRP  10   0.977   3.805   3.805
   71   1HB   TRP  10          1HB       TRP  10   0.879   2.855   2.855
   72   2HB   TRP  10          2HB       TRP  10   1.356   1.278   1.278
   73    HD1  TRP  10           HD1      TRP  10   3.887   1.103   1.103
   74    HE1  TRP  10           HE1      TRP  10   6.071   2.340   2.340
   75    HE3  TRP  10           HE3      TRP  10   1.826   4.880   4.880
   76    HZ2  TRP  10           HZ2      TRP  10   6.746   4.782   4.782
   77    HZ3  TRP  10           HZ3      TRP  10   3.226   6.683   6.683
   78    HH2  TRP  10           HH2      TRP  10   5.733   6.618   6.618
   79    H    SER  11           H        SER  11   0.461   0.494   0.494
   80    HA   SER  11           HA       SER  11   1.462  -0.824  -0.824
   81   1HB   SER  11          1HB       SER  11   1.403   1.874   1.874
   82   2HB   SER  11          2HB       SER  11   1.303   0.272   0.272
   83    HG   SER  11           HG       SER  11  -0.595   1.594   1.594
   84    H    GLY  12           H        GLY  12   3.585  -0.614  -0.614
   85   1HA   GLY  12          1HA       GLY  12   5.709  -1.072  -1.072
   86   2HA   GLY  12          2HA       GLY  12   5.870   0.595   0.595
   87    H    ASN  13           H        ASN  13   7.851  -0.192  -0.192
   88    HA   ASN  13           HA       ASN  13   7.613  -1.786  -1.786
   89   1HB   ASN  13          1HB       ASN  13   9.632  -1.951  -1.951
   90   2HB   ASN  13          2HB       ASN  13  10.010  -0.263  -0.263
   91   1HD2  ASN  13          2HD2      ASN  13  10.534   0.287   0.287
   92   2HD2  ASN  13          1HD2      ASN  13  11.245  -1.001  -1.001
   93    H    CYS  14           H        CYS  14   8.082  -0.719  -0.719
   94    HA   CYS  14           HA       CYS  14   6.823   1.784   1.784
   95   1HB   CYS  14          1HB       CYS  14   7.128   0.044   0.044
   96   2HB   CYS  14          2HB       CYS  14   8.889   0.218   0.218
   97    H    GLY  15           H        GLY  15   7.773   3.730   3.730
   98   1HA   GLY  15          1HA       GLY  15  10.584   4.332   4.332
   99   2HA   GLY  15          2HA       GLY  15   9.245   5.411   5.411
  100    H    ASN  16           H        ASN  16   7.698   5.545   5.545
  101    HA   ASN  16           HA       ASN  16   9.256   5.787   5.787
  102   1HB   ASN  16          1HB       ASN  16   9.452   8.006   8.006
  103   2HB   ASN  16          2HB       ASN  16   7.697   8.207   8.207
  104   1HD2  ASN  16          2HD2      ASN  16   9.753   9.920   9.920
  105   2HD2  ASN  16          1HD2      ASN  16   9.580   9.778   9.778
  106    H    THR  17           H        THR  17   8.103   4.855   4.855
  107    HA   THR  17           HA       THR  17   5.435   4.004   4.004
  108    HB   THR  17           HB       THR  17   7.155   2.960   2.960
  109    HG1  THR  17           HG1      THR  17   4.741   3.532   3.532
  110   1HG2  THR  17          3HG2      THR  17   7.984   4.977   4.977
  111   2HG2  THR  17          1HG2      THR  17   6.431   5.082   5.082
  112   3HG2  THR  17          2HG2      THR  17   7.479   3.672   3.672
  113    H    ALA  18           H        ALA  18   6.796   6.979   6.979
  114    HA   ALA  18           HA       ALA  18   4.360   7.934   7.934
  115   1HB   ALA  18          1HB       ALA  18   6.638   8.771   8.771
  116   2HB   ALA  18          2HB       ALA  18   6.753   9.509   9.509
  117   3HB   ALA  18          3HB       ALA  18   5.526  10.070  10.070
  118    H    HIS  19           H        HIS  19   5.305   7.589   7.589
  119    HA   HIS  19           HA       HIS  19   3.204   9.492   9.492
  120   1HB   HIS  19          1HB       HIS  19   5.380   9.464   9.464
  121   2HB   HIS  19          2HB       HIS  19   5.082   7.794   7.794
  122    HD1  HIS  19           HD1      HIS  19   5.344   8.926   8.926
  123    HD2  HIS  19           HD2      HIS  19   1.867   9.852   9.852
  124    HE1  HIS  19           HE1      HIS  19   3.549   9.666   9.666
  125    H    CYS  20           H        CYS  20   4.152   6.013   6.013
  126    HA   CYS  20           HA       CYS  20   1.982   4.835   4.835
  127   1HB   CYS  20          1HB       CYS  20   3.859   3.512   3.512
  128   2HB   CYS  20          2HB       CYS  20   3.356   3.924   3.924
  129    H    ASP  21           H        ASP  21   2.200   5.688   5.688
  130    HA   ASP  21           HA       ASP  21  -0.350   4.770   4.770
  131   1HB   ASP  21          1HB       ASP  21   1.486   5.311   5.311
  132   2HB   ASP  21          2HB       ASP  21   1.346   7.029   7.029
  133    H    LYS  22           H        LYS  22   0.622   7.827   7.827
  134    HA   LYS  22           HA       LYS  22  -1.950   9.140   9.140
  135   1HB   LYS  22          1HB       LYS  22   0.131   9.838   9.838
  136   2HB   LYS  22          2HB       LYS  22  -1.251  10.808  10.808
  137   1HG   LYS  22          1HG       LYS  22  -0.292  10.903  10.903
  138   2HG   LYS  22          2HG       LYS  22   1.091   9.954   9.954
  139   1HD   LYS  22          1HD       LYS  22   1.795  11.721  11.721
  140   2HD   LYS  22          2HD       LYS  22   0.301  12.629  12.629
  141   1HE   LYS  22          1HE       LYS  22   2.342  13.561  13.561
  142   2HE   LYS  22          2HE       LYS  22   0.907  13.332  13.332
  143   1HZ   LYS  22          1HZ       LYS  22   2.304  10.977  10.977
  144   2HZ   LYS  22          2HZ       LYS  22   3.466  12.186  12.186
  145    H    GLN  23           H        GLN  23  -0.261   7.634   7.634
  146    HA   GLN  23           HA       GLN  23  -2.304   7.932   7.932
  147   1HB   GLN  23          1HB       GLN  23  -0.546   5.544   5.544
  148   2HB   GLN  23          2HB       GLN  23  -1.544   6.175   6.175
  149   1HG   GLN  23          1HG       GLN  23   0.123   8.326   8.326
  150   2HG   GLN  23          2HG       GLN  23   1.140   6.916   6.916
  151   1HE2  GLN  23          2HE2      GLN  23   0.013   5.790   5.790
  152   2HE2  GLN  23          1HE2      GLN  23   0.014   6.954   6.954
  153    H    CYS  24           H        CYS  24  -1.820   5.126   5.126
  154    HA   CYS  24           HA       CYS  24  -4.020   3.615   3.615
  155   1HB   CYS  24          1HB       CYS  24  -2.712   3.985   3.985
  156   2HB   CYS  24          2HB       CYS  24  -3.929   2.747   2.747
  157    H    GLN  25           H        GLN  25  -3.987   6.396   6.396
  158    HA   GLN  25           HA       GLN  25  -6.784   6.089   6.089
  159   1HB   GLN  25          1HB       GLN  25  -4.792   7.189   7.189
  160   2HB   GLN  25          2HB       GLN  25  -5.012   8.578   8.578
  161   1HG   GLN  25          1HG       GLN  25  -7.144   7.344   7.344
  162   2HG   GLN  25          2HG       GLN  25  -6.201   8.794   8.794
  163   1HE2  GLN  25          2HE2      GLN  25  -6.297  10.335  10.335
  164   2HE2  GLN  25          1HE2      GLN  25  -7.988  10.703  10.703
  165    H    ASP  26           H        ASP  26  -4.958   8.558   8.558
  166    HA   ASP  26           HA       ASP  26  -7.015  10.179  10.179
  167   1HB   ASP  26          1HB       ASP  26  -4.219   9.788   9.788
  168   2HB   ASP  26          2HB       ASP  26  -5.314  11.076  11.076
  169    H    TRP  27           H        TRP  27  -5.186   7.737   7.737
  170    HA   TRP  27           HA       TRP  27  -6.949   8.044   8.044
  171   1HB   TRP  27          1HB       TRP  27  -4.601   6.129   6.129
  172   2HB   TRP  27          2HB       TRP  27  -5.564   6.215   6.215
  173    HD1  TRP  27           HD1      TRP  27  -3.998   9.267   9.267
  174    HE1  TRP  27           HE1      TRP  27  -2.106  10.160  10.160
  175    HE3  TRP  27           HE3      TRP  27  -4.412   6.011   6.011
  176    HZ2  TRP  27           HZ2      TRP  27  -0.789   9.413   9.413
  177    HZ3  TRP  27           HZ3      TRP  27  -2.735   6.015   6.015
  178    HH2  TRP  27           HH2      TRP  27  -0.886   7.625   7.625
  179    H    GLU  28           H        GLU  28  -5.803   5.302   5.302
  180    HA   GLU  28           HA       GLU  28  -7.434   3.674   3.674
  181   1HB   GLU  28          1HB       GLU  28  -5.162   3.204   3.204
  182   2HB   GLU  28          2HB       GLU  28  -6.131   2.605   2.605
  183   1HG   GLU  28          1HG       GLU  28  -7.160   0.921   0.921
  184   2HG   GLU  28          2HG       GLU  28  -6.418   1.635   1.635
  185    H    LYS  29           H        LYS  29  -7.755   4.239   4.239
  186    HA   LYS  29           HA       LYS  29  -9.677   5.225   5.225
  187   1HB   LYS  29          1HB       LYS  29 -11.181   2.941   2.941
  188   2HB   LYS  29          2HB       LYS  29 -11.775   3.967   3.967
  189   1HG   LYS  29          1HG       LYS  29 -10.859   5.158   5.158
  190   2HG   LYS  29          2HG       LYS  29 -12.499   4.657   4.657
  191   1HD   LYS  29          1HD       LYS  29 -12.991   6.491   6.491
  192   2HD   LYS  29          2HD       LYS  29 -11.636   6.291   6.291
  193   1HE   LYS  29          1HE       LYS  29 -11.607   7.693   7.693
  194   2HE   LYS  29          2HE       LYS  29 -11.510   8.454   8.454
  195   1HZ   LYS  29          1HZ       LYS  29  -9.503   6.499   6.499
  196   2HZ   LYS  29          2HZ       LYS  29  -9.388   8.128   8.128
  197    H    ALA  30           H        ALA  30  -7.572   3.879   3.879
  198    HA   ALA  30           HA       ALA  30  -8.533   1.671   1.671
  199   1HB   ALA  30          1HB       ALA  30  -6.333   1.807   1.807
  200   2HB   ALA  30          2HB       ALA  30  -5.828   3.036   3.036
  201   3HB   ALA  30          3HB       ALA  30  -6.195   1.380   1.380
  202    H    SER  31           H        SER  31  -7.932   1.712   1.712
  203    HA   SER  31           HA       SER  31  -8.613   4.090   4.090
  204   1HB   SER  31          1HB       SER  31  -7.083   1.607   1.607
  205   2HB   SER  31          2HB       SER  31  -7.878   2.757   2.757
  206    HG   SER  31           HG       SER  31  -9.861   2.155   2.155
  207    H    HIS  32           H        HIS  32  -5.608   2.432   2.432
  208    HA   HIS  32           HA       HIS  32  -4.157   4.867   4.867
  209   1HB   HIS  32          1HB       HIS  32  -2.847   4.899   4.899
  210   2HB   HIS  32          2HB       HIS  32  -4.244   4.205   4.205
  211    HD1  HIS  32           HD1      HIS  32  -0.630   3.566   3.566
  212    HD2  HIS  32           HD2      HIS  32  -4.153   1.387   1.387
  213    HE1  HIS  32           HE1      HIS  32   0.051   1.208   1.208
  214    H    GLY  33           H        GLY  33  -1.560   4.024   4.024
  215   1HA   GLY  33          1HA       GLY  33  -1.424   1.400   1.400
  216   2HA   GLY  33          2HA       GLY  33  -0.855   2.710   2.710
  217    H    ALA  34           H        ALA  34   0.898   0.851   0.851
  218    HA   ALA  34           HA       ALA  34   3.052   1.999   1.999
  219   1HB   ALA  34          1HB       ALA  34   1.598  -0.435  -0.435
  220   2HB   ALA  34          2HB       ALA  34   3.273  -0.023  -0.023
  221   3HB   ALA  34          3HB       ALA  34   1.955   1.086   1.086
  222    H    CYS  35           H        CYS  35   5.004   1.223   1.223
  223    HA   CYS  35           HA       CYS  35   4.710  -0.628  -0.628
  224   1HB   CYS  35          1HB       CYS  35   7.072   0.816   0.816
  225   2HB   CYS  35          2HB       CYS  35   7.182  -0.311  -0.311
  226    H    HIS  36           H        HIS  36   5.664  -2.760  -2.760
  227    HA   HIS  36           HA       HIS  36   7.421  -3.652  -3.652
  228   1HB   HIS  36          1HB       HIS  36   5.500  -5.788  -5.788
  229   2HB   HIS  36          2HB       HIS  36   6.297  -5.336  -5.336
  230    HD1  HIS  36           HD1      HIS  36   5.082  -2.932  -2.932
  231    HD2  HIS  36           HD2      HIS  36   3.005  -5.319  -5.319
  232    HE1  HIS  36           HE1      HIS  36   2.575  -2.647  -2.647
  233    H    LYS  37           H        LYS  37   8.485  -5.680  -5.680
  234    HA   LYS  37           HA       LYS  37   8.792  -6.143  -6.143
  235   1HB   LYS  37          1HB       LYS  37  10.687  -6.040  -6.040
  236   2HB   LYS  37          2HB       LYS  37  10.094  -7.417  -7.417
  237   1HG   LYS  37          1HG       LYS  37  10.190  -8.585  -8.585
  238   2HG   LYS  37          2HG       LYS  37  11.062  -7.218  -7.218
  239   1HD   LYS  37          1HD       LYS  37  12.062  -8.590  -8.590
  240   2HD   LYS  37          2HD       LYS  37  12.221  -9.469  -9.469
  241   1HE   LYS  37          1HE       LYS  37  13.306  -7.154  -7.154
  242   2HE   LYS  37          2HE       LYS  37  13.568  -6.936  -6.936
  243   1HZ   LYS  37          1HZ       LYS  37  14.335  -9.513  -9.513
  244   2HZ   LYS  37          2HZ       LYS  37  15.158  -8.256  -8.256
  245    H    ARG  38           H        ARG  38   7.902  -7.774  -7.774
  246    HA   ARG  38           HA       ARG  38   6.929 -10.237 -10.237
  247   1HB   ARG  38          1HB       ARG  38   5.356  -8.498  -8.498
  248   2HB   ARG  38          2HB       ARG  38   4.911 -10.149 -10.149
  249   1HG   ARG  38          1HG       ARG  38   5.009  -7.770  -7.770
  250   2HG   ARG  38          2HG       ARG  38   3.574  -8.400  -8.400
  251   1HD   ARG  38          1HD       ARG  38   3.759 -10.547 -10.547
  252   2HD   ARG  38          2HD       ARG  38   5.225 -10.072 -10.072
  253   1HH1  ARG  38          1HH2      ARG  38   5.849  -8.570  -8.570
  254   2HH1  ARG  38          2HH2      ARG  38   5.544  -8.120  -8.120
  255   1HH2  ARG  38          1HH1      ARG  38   1.984  -8.313  -8.313
  256   2HH2  ARG  38          2HH1      ARG  38   3.295  -7.887  -7.887
  257    H    GLU  39           H        GLU  39   7.662 -11.960 -11.960
  258    HA   GLU  39           HA       GLU  39   8.927 -13.000 -13.000
  259   1HB   GLU  39          1HB       GLU  39   7.173 -11.298 -11.298
  260   2HB   GLU  39          2HB       GLU  39   8.075 -12.745 -12.745
  261   1HG   GLU  39          1HG       GLU  39   6.743 -14.101 -14.101
  262   2HG   GLU  39          2HG       GLU  39   5.805 -12.662 -12.662
  263    H    ASN  40           H        ASN  40  10.279 -10.922 -10.922
  264    HA   ASN  40           HA       ASN  40  12.016  -9.591  -9.591
  265   1HB   ASN  40          1HB       ASN  40  12.805 -11.448 -11.448
  266   2HB   ASN  40          2HB       ASN  40  12.385 -10.367 -10.367
  267   1HD2  ASN  40          2HD2      ASN  40  14.457  -9.707  -9.707
  268   2HD2  ASN  40          1HD2      ASN  40  15.681  -8.991  -8.991
  269    H    HIS  41           H        HIS  41   9.339  -8.837  -8.837
  270    HA   HIS  41           HA       HIS  41  10.415  -6.343  -6.343
  271   1HB   HIS  41          1HB       HIS  41   7.723  -7.683  -7.683
  272   2HB   HIS  41          2HB       HIS  41   8.170  -6.197  -6.197
  273    HD1  HIS  41           HD1      HIS  41  10.395  -6.506  -6.506
  274    HD2  HIS  41           HD2      HIS  41   8.356  -9.973  -9.973
  275    HE1  HIS  41           HE1      HIS  41  11.147  -8.433  -8.433
  276    H    TRP  42           H        TRP  42  10.189  -4.439  -4.439
  277    HA   TRP  42           HA       TRP  42   8.614  -4.385  -4.385
  278   1HB   TRP  42          1HB       TRP  42  10.532  -2.513  -2.513
  279   2HB   TRP  42          2HB       TRP  42   9.461  -1.999  -1.999
  280    HD1  TRP  42           HD1      TRP  42  12.210  -4.568  -4.568
  281    HE1  TRP  42           HE1      TRP  42  13.394  -5.043  -5.043
  282    HE3  TRP  42           HE3      TRP  42   8.953  -2.254  -2.254
  283    HZ2  TRP  42           HZ2      TRP  42  12.747  -4.795  -4.795
  284    HZ3  TRP  42           HZ3      TRP  42   9.303  -2.234  -2.234
  285    HH2  TRP  42           HH2      TRP  42  11.187  -3.570  -3.570
  286    H    LYS  43           H        LYS  43   6.423  -4.340  -4.340
  287    HA   LYS  43           HA       LYS  43   5.337  -2.586  -2.586
  288   1HB   LYS  43          1HB       LYS  43   3.795  -4.412  -4.412
  289   2HB   LYS  43          2HB       LYS  43   3.317  -3.826  -3.826
  290   1HG   LYS  43          1HG       LYS  43   5.437  -5.846  -5.846
  291   2HG   LYS  43          2HG       LYS  43   3.987  -6.234  -6.234
  292   1HD   LYS  43          1HD       LYS  43   6.179  -4.568  -4.568
  293   2HD   LYS  43          2HD       LYS  43   5.845  -6.278  -6.278
  294   1HE   LYS  43          1HE       LYS  43   4.910  -5.303  -5.303
  295   2HE   LYS  43          2HE       LYS  43   3.530  -5.708  -5.708
  296   1HZ   LYS  43          1HZ       LYS  43   4.373  -3.216  -3.216
  297   2HZ   LYS  43          2HZ       LYS  43   2.911  -3.620  -3.620
  298    H    CYS  44           H        CYS  44   4.252  -0.765  -0.765
  299    HA   CYS  44           HA       CYS  44   3.690   0.078   0.078
  300   1HB   CYS  44          1HB       CYS  44   3.744   1.737   1.737
  301   2HB   CYS  44          2HB       CYS  44   2.743   0.890   0.890
  302    H    PHE  45           H        PHE  45   2.044  -0.708  -0.708
  303    HA   PHE  45           HA       PHE  45  -0.090  -2.383  -2.383
  304   1HB   PHE  45          1HB       PHE  45   1.668  -2.817  -2.817
  305   2HB   PHE  45          2HB       PHE  45  -0.035  -3.091  -3.091
  306    HD1  PHE  45           HD1      PHE  45   2.701  -4.046  -4.046
  307    HD2  PHE  45           HD2      PHE  45  -1.080  -5.109  -5.109
  308    HE1  PHE  45           HE1      PHE  45   2.872  -6.324  -6.324
  309    HE2  PHE  45           HE2      PHE  45  -0.876  -7.407  -7.407
  310    HZ   PHE  45           HZ       PHE  45   1.086  -7.998  -7.998
  311    H    CYS  46           H        CYS  46  -2.100  -2.167  -2.167
  312    HA   CYS  46           HA       CYS  46  -2.691   0.345   0.345
  313   1HB   CYS  46          1HB       CYS  46  -4.239  -1.046  -1.046
  314   2HB   CYS  46          2HB       CYS  46  -4.677   0.440   0.440
  315    H    TYR  47           H        TYR  47  -4.444   0.262   0.262
  316    HA   TYR  47           HA       TYR  47  -5.165  -2.463  -2.463
  317   1HB   TYR  47          1HB       TYR  47  -4.078   0.080   0.080
  318   2HB   TYR  47          2HB       TYR  47  -4.884  -1.105  -1.105
  319    HD1  TYR  47           HD1      TYR  47  -1.936  -0.520  -0.520
  320    HD2  TYR  47           HD2      TYR  47  -3.764  -3.065  -3.065
  321    HE1  TYR  47           HE1      TYR  47   0.081  -1.944  -1.944
  322    HE2  TYR  47           HE2      TYR  47  -1.765  -4.489  -4.489
  323    HH   TYR  47           HH       TYR  47   0.245  -4.886  -4.886
  324    H    PHE  48           H        PHE  48  -7.467  -2.523  -2.523
  325    HA   PHE  48           HA       PHE  48  -8.954   0.053   0.053
  326   1HB   PHE  48          1HB       PHE  48  -9.386  -2.736  -2.736
  327   2HB   PHE  48          2HB       PHE  48 -10.675  -1.605  -1.605
  328    HD1  PHE  48           HD1      PHE  48  -7.191  -1.672  -1.672
  329    HD2  PHE  48           HD2      PHE  48 -11.267  -0.246  -0.246
  330    HE1  PHE  48           HE1      PHE  48  -6.662  -0.536  -0.536
  331    HE2  PHE  48           HE2      PHE  48 -10.753   0.725   0.725
  332    HZ   PHE  48           HZ       PHE  48  -8.454   0.634   0.634
  333    H    ASN  49           H        ASN  49 -11.227  -0.415  -0.415
  334    HA   ASN  49           HA       ASN  49 -12.418  -0.466  -0.466
  335   1HB   ASN  49          1HB       ASN  49 -13.611  -2.454  -2.454
  336   2HB   ASN  49          2HB       ASN  49 -13.177  -2.290  -2.290
  337   1HD2  ASN  49          2HD2      ASN  49 -11.077  -3.587  -3.587
  338   2HD2  ASN  49          1HD2      ASN  49 -10.917  -5.151  -5.151
  339    H    CYS  50           H        CYS  50  -9.831  -0.004  -0.004
  340    HA   CYS  50           HA       CYS  50  -8.984  -2.090  -2.090
  341   1HB   CYS  50          1HB       CYS  50  -7.442  -0.702  -0.702
  342   2HB   CYS  50          2HB       CYS  50  -8.087   0.717   0.717

  Start of MODEL   16
    1   1H    LEU   1          3H        LEU   1 -11.831  -4.796  -4.796
    2   2H    LEU   1          1H        LEU   1 -11.871  -5.515  -5.515
    3   3H    LEU   1          2H        LEU   1 -10.736  -4.322  -4.322
    4    HA   LEU   1           HA       LEU   1  -9.696  -6.461  -6.461
    5   1HB   LEU   1          1HB       LEU   1 -11.632  -7.100  -7.100
    6   2HB   LEU   1          2HB       LEU   1 -10.306  -8.123  -8.123
    7    HG   LEU   1           HG       LEU   1 -12.796  -7.365  -7.365
    8   1HD1  LEU   1          1HD1      LEU   1 -13.201  -8.954  -8.954
    9   2HD1  LEU   1          2HD1      LEU   1 -11.906 -10.003 -10.003
   10   3HD1  LEU   1          3HD1      LEU   1 -13.370  -9.733  -9.733
   11   1HD2  LEU   1          1HD2      LEU   1 -10.433  -9.162  -9.162
   12   2HD2  LEU   1          2HD2      LEU   1 -10.920  -7.669  -7.669
   13   3HD2  LEU   1          3HD2      LEU   1 -11.966  -9.089  -9.089
   14    H    CYS   2           H        CYS   2  -7.840  -5.412  -5.412
   15    HA   CYS   2           HA       CYS   2  -7.757  -3.633  -3.633
   16   1HB   CYS   2          1HB       CYS   2  -5.328  -4.680  -4.680
   17   2HB   CYS   2          2HB       CYS   2  -5.600  -3.088  -3.088
   18    H    ASN   3           H        ASN   3  -8.443  -4.645  -4.645
   19    HA   ASN   3           HA       ASN   3  -7.253  -6.963  -6.963
   20   1HB   ASN   3          1HB       ASN   3  -9.514  -6.282  -6.282
   21   2HB   ASN   3          2HB       ASN   3  -8.919  -4.701  -4.701
   22   1HD2  ASN   3          2HD2      ASN   3  -8.327  -8.157  -8.157
   23   2HD2  ASN   3          1HD2      ASN   3  -8.222  -7.910  -7.910
   24    H    GLU   4           H        GLU   4  -5.019  -6.576  -6.576
   25    HA   GLU   4           HA       GLU   4  -3.639  -4.471  -4.471
   26   1HB   GLU   4          1HB       GLU   4  -2.687  -5.569  -5.569
   27   2HB   GLU   4          2HB       GLU   4  -2.882  -7.167  -7.167
   28   1HG   GLU   4          1HG       GLU   4  -1.312  -6.658  -6.658
   29   2HG   GLU   4          2HG       GLU   4  -1.094  -4.982  -4.982
   30    H    ARG   5           H        ARG   5  -3.293  -4.423  -4.423
   31    HA   ARG   5           HA       ARG   5  -3.201  -6.927  -6.927
   32   1HB   ARG   5          1HB       ARG   5  -4.727  -5.895  -5.895
   33   2HB   ARG   5          2HB       ARG   5  -5.535  -6.298  -6.298
   34   1HG   ARG   5          1HG       ARG   5  -5.584  -3.987  -3.987
   35   2HG   ARG   5          2HG       ARG   5  -4.470  -3.515  -3.515
   36   1HD   ARG   5          1HD       ARG   5  -6.443  -2.843  -2.843
   37   2HD   ARG   5          2HD       ARG   5  -6.277  -4.403  -4.403
   38   1HH1  ARG   5          1HH1      ARG   5  -8.223  -2.728  -2.728
   39   2HH1  ARG   5          2HH1      ARG   5  -9.899  -2.465  -2.465
   40   1HH2  ARG   5          1HH2      ARG   5  -9.788  -4.625  -4.625
   41   2HH2  ARG   5          2HH2      ARG   5 -10.862  -3.644  -3.644
   42    HA   PRO   6           HA       PRO   6   0.198  -4.777  -4.777
   43   1HB   PRO   6          1HB       PRO   6   0.548  -5.879  -5.879
   44   2HB   PRO   6          2HB       PRO   6   0.735  -6.805  -6.805
   45   1HG   PRO   6          1HG       PRO   6  -1.737  -6.624  -6.624
   46   2HG   PRO   6          2HG       PRO   6  -0.910  -8.109  -8.109
   47   1HD   PRO   6          1HD       PRO   6  -3.049  -7.127  -7.127
   48   2HD   PRO   6          2HD       PRO   6  -1.654  -7.764  -7.764
   49    H    SER   7           H        SER   7   1.011  -3.663  -3.663
   50    HA   SER   7           HA       SER   7  -0.238  -1.230  -1.230
   51   1HB   SER   7          1HB       SER   7   1.267  -1.214  -1.214
   52   2HB   SER   7          2HB       SER   7   2.058  -1.466  -1.466
   53    HG   SER   7           HG       SER   7   1.173  -3.544  -3.544
   54    H    GLN   8           H        GLN   8  -2.264  -0.970  -0.970
   55    HA   GLN   8           HA       GLN   8  -3.239  -2.248  -2.248
   56   1HB   GLN   8          1HB       GLN   8  -4.351  -0.187  -0.187
   57   2HB   GLN   8          2HB       GLN   8  -5.121  -0.582  -0.582
   58   1HG   GLN   8          1HG       GLN   8  -5.150  -3.010  -3.010
   59   2HG   GLN   8          2HG       GLN   8  -4.580  -2.444  -2.444
   60   1HE2  GLN   8          2HE2      GLN   8  -7.108  -1.342  -1.342
   61   2HE2  GLN   8          1HE2      GLN   8  -8.393  -1.259  -1.259
   62    H    THR   9           H        THR   9  -3.364   1.308   1.308
   63    HA   THR   9           HA       THR   9  -2.986   1.763   1.763
   64    HB   THR   9           HB       THR   9  -2.743   4.197   4.197
   65    HG1  THR   9           HG1      THR   9  -3.589   3.241   3.241
   66   1HG2  THR   9          3HG2      THR   9  -5.137   2.471   2.471
   67   2HG2  THR   9          1HG2      THR   9  -5.174   4.235   4.235
   68   3HG2  THR   9          2HG2      THR   9  -4.851   3.487   3.487
   69    H    TRP  10           H        TRP  10  -0.714   1.745   1.745
   70    HA   TRP  10           HA       TRP  10   1.232   3.473   3.473
   71   1HB   TRP  10          1HB       TRP  10   1.063   2.621   2.621
   72   2HB   TRP  10          2HB       TRP  10   1.472   1.003   1.003
   73    HD1  TRP  10           HD1      TRP  10   4.050   0.719   0.719
   74    HE1  TRP  10           HE1      TRP  10   6.239   1.732   1.732
   75    HE3  TRP  10           HE3      TRP  10   2.123   4.822   4.822
   76    HZ2  TRP  10           HZ2      TRP  10   6.919   3.815   3.815
   77    HZ3  TRP  10           HZ3      TRP  10   3.471   6.102   6.102
   78    HH2  TRP  10           HH2      TRP  10   5.759   5.494   5.494
   79    H    SER  11           H        SER  11   0.549   0.125   0.125
   80    HA   SER  11           HA       SER  11   1.503  -1.357  -1.357
   81   1HB   SER  11          1HB       SER  11   1.516   1.187   1.187
   82   2HB   SER  11          2HB       SER  11   1.265  -0.472  -0.472
   83    HG   SER  11           HG       SER  11  -0.434   1.175   1.175
   84    H    GLY  12           H        GLY  12   3.706  -1.087  -1.087
   85   1HA   GLY  12          1HA       GLY  12   5.748  -1.687  -1.687
   86   2HA   GLY  12          2HA       GLY  12   5.936   0.017   0.017
   87    H    ASN  13           H        ASN  13   7.926  -0.527  -0.527
   88    HA   ASN  13           HA       ASN  13   7.945  -2.128  -2.128
   89   1HB   ASN  13          1HB       ASN  13   9.812  -2.338  -2.338
   90   2HB   ASN  13          2HB       ASN  13  10.211  -0.630  -0.630
   91   1HD2  ASN  13          2HD2      ASN  13  11.279  -0.011  -0.011
   92   2HD2  ASN  13          1HD2      ASN  13  11.768  -1.158  -1.158
   93    H    CYS  14           H        CYS  14   8.596  -1.040  -1.040
   94    HA   CYS  14           HA       CYS  14   7.822   1.836   1.836
   95   1HB   CYS  14          1HB       CYS  14   6.057   0.449   0.449
   96   2HB   CYS  14          2HB       CYS  14   7.170  -0.532  -0.532
   97    H    GLY  15           H        GLY  15   8.593   2.941   2.941
   98   1HA   GLY  15          1HA       GLY  15  10.792   1.913   1.913
   99   2HA   GLY  15          2HA       GLY  15  11.330   3.157   3.157
  100    H    ASN  16           H        ASN  16   9.337   4.879   4.879
  101    HA   ASN  16           HA       ASN  16   9.510   6.341   6.341
  102   1HB   ASN  16          1HB       ASN  16   9.521   7.312   7.312
  103   2HB   ASN  16          2HB       ASN  16   7.784   6.989   6.989
  104   1HD2  ASN  16          2HD2      ASN  16   8.973   9.602   9.602
  105   2HD2  ASN  16          1HD2      ASN  16   8.437  10.499  10.499
  106    H    THR  17           H        THR  17   8.522   4.615   4.615
  107    HA   THR  17           HA       THR  17   5.833   3.990   3.990
  108    HB   THR  17           HB       THR  17   7.657   3.096   3.096
  109    HG1  THR  17           HG1      THR  17   5.225   3.708   3.708
  110   1HG2  THR  17          3HG2      THR  17   8.416   5.216   5.216
  111   2HG2  THR  17          1HG2      THR  17   6.863   5.342   5.342
  112   3HG2  THR  17          2HG2      THR  17   7.952   3.984   3.984
  113    H    ALA  18           H        ALA  18   7.334   7.021   7.021
  114    HA   ALA  18           HA       ALA  18   5.050   8.133   8.133
  115   1HB   ALA  18          1HB       ALA  18   7.346   8.963   8.963
  116   2HB   ALA  18          2HB       ALA  18   7.397   9.556   9.556
  117   3HB   ALA  18          3HB       ALA  18   6.247  10.254  10.254
  118    H    HIS  19           H        HIS  19   5.914   7.835   7.835
  119    HA   HIS  19           HA       HIS  19   3.605   9.489   9.489
  120   1HB   HIS  19          1HB       HIS  19   5.516   9.299   9.299
  121   2HB   HIS  19          2HB       HIS  19   5.311   7.568   7.568
  122    HD1  HIS  19           HD1      HIS  19   5.135   8.087   8.087
  123    HD2  HIS  19           HD2      HIS  19   1.913   9.336   9.336
  124    HE1  HIS  19           HE1      HIS  19   3.048   8.168   8.168
  125    H    CYS  20           H        CYS  20   4.519   5.993   5.993
  126    HA   CYS  20           HA       CYS  20   2.289   4.821   4.821
  127   1HB   CYS  20          1HB       CYS  20   4.213   3.500   3.500
  128   2HB   CYS  20          2HB       CYS  20   3.702   3.886   3.886
  129    H    ASP  21           H        ASP  21   2.606   5.821   5.821
  130    HA   ASP  21           HA       ASP  21   0.042   4.888   4.888
  131   1HB   ASP  21          1HB       ASP  21   1.867   5.493   5.493
  132   2HB   ASP  21          2HB       ASP  21   1.620   7.209   7.209
  133    H    LYS  22           H        LYS  22   1.017   7.970   7.970
  134    HA   LYS  22           HA       LYS  22  -1.523   9.305   9.305
  135   1HB   LYS  22          1HB       LYS  22   0.421   9.889   9.889
  136   2HB   LYS  22          2HB       LYS  22  -0.895  10.888  10.888
  137   1HG   LYS  22          1HG       LYS  22   0.283  10.943  10.943
  138   2HG   LYS  22          2HG       LYS  22   1.579  10.041  10.041
  139   1HD   LYS  22          1HD       LYS  22   1.905  11.940  11.940
  140   2HD   LYS  22          2HD       LYS  22   0.496  12.757  12.757
  141   1HE   LYS  22          1HE       LYS  22   2.461  13.855  13.855
  142   2HE   LYS  22          2HE       LYS  22   1.640  13.008  13.008
  143   1HZ   LYS  22          1HZ       LYS  22   3.340  11.145  11.145
  144   2HZ   LYS  22          2HZ       LYS  22   4.228  12.508  12.508
  145    H    GLN  23           H        GLN  23   0.126   7.550   7.550
  146    HA   GLN  23           HA       GLN  23  -1.552   7.882   7.882
  147   1HB   GLN  23          1HB       GLN  23   0.716   6.866   6.866
  148   2HB   GLN  23          2HB       GLN  23   0.154   5.531   5.531
  149   1HG   GLN  23          1HG       GLN  23   0.238   4.548   4.548
  150   2HG   GLN  23          2HG       GLN  23  -1.461   4.893   4.893
  151   1HE2  GLN  23          2HE2      GLN  23  -1.467   4.723   4.723
  152   2HE2  GLN  23          1HE2      GLN  23  -0.814   6.047   6.047
  153    H    CYS  24           H        CYS  24  -1.562   5.184   5.184
  154    HA   CYS  24           HA       CYS  24  -3.822   3.825   3.825
  155   1HB   CYS  24          1HB       CYS  24  -2.607   3.915   3.915
  156   2HB   CYS  24          2HB       CYS  24  -3.840   2.757   2.757
  157    H    GLN  25           H        GLN  25  -3.683   6.630   6.630
  158    HA   GLN  25           HA       GLN  25  -6.498   6.342   6.342
  159   1HB   GLN  25          1HB       GLN  25  -4.397   8.463   8.463
  160   2HB   GLN  25          2HB       GLN  25  -6.065   8.493   8.493
  161   1HG   GLN  25          1HG       GLN  25  -5.733   6.391   6.391
  162   2HG   GLN  25          2HG       GLN  25  -4.123   6.199   6.199
  163   1HE2  GLN  25          2HE2      GLN  25  -5.693   9.102   9.102
  164   2HE2  GLN  25          1HE2      GLN  25  -4.462   9.296   9.296
  165    H    ASP  26           H        ASP  26  -4.470   8.113   8.113
  166    HA   ASP  26           HA       ASP  26  -6.499  10.078  10.078
  167   1HB   ASP  26          1HB       ASP  26  -3.739   9.511   9.511
  168   2HB   ASP  26          2HB       ASP  26  -4.778  10.840  10.840
  169    H    TRP  27           H        TRP  27  -4.740   7.539   7.539
  170    HA   TRP  27           HA       TRP  27  -6.387   7.947   7.947
  171   1HB   TRP  27          1HB       TRP  27  -4.227   5.878   5.878
  172   2HB   TRP  27          2HB       TRP  27  -5.134   5.912   5.912
  173    HD1  TRP  27           HD1      TRP  27  -3.205   8.604   8.604
  174    HE1  TRP  27           HE1      TRP  27  -1.593   9.828   9.828
  175    HE3  TRP  27           HE3      TRP  27  -4.343   6.056   6.056
  176    HZ2  TRP  27           HZ2      TRP  27  -0.843   9.578   9.578
  177    HZ3  TRP  27           HZ3      TRP  27  -3.144   6.479   6.479
  178    HH2  TRP  27           HH2      TRP  27  -1.388   8.222   8.222
  179    H    GLU  28           H        GLU  28  -5.752   5.367   5.367
  180    HA   GLU  28           HA       GLU  28  -8.344   3.965   3.965
  181   1HB   GLU  28          1HB       GLU  28  -5.725   3.367   3.367
  182   2HB   GLU  28          2HB       GLU  28  -7.137   2.593   2.593
  183   1HG   GLU  28          1HG       GLU  28  -6.107   1.135   1.135
  184   2HG   GLU  28          2HG       GLU  28  -7.672   1.640   1.640
  185    H    LYS  29           H        LYS  29  -8.609   3.392   3.392
  186    HA   LYS  29           HA       LYS  29  -9.069   5.777   5.777
  187   1HB   LYS  29          1HB       LYS  29 -11.400   4.188   4.188
  188   2HB   LYS  29          2HB       LYS  29 -11.618   5.214   5.214
  189   1HG   LYS  29          1HG       LYS  29 -10.774   6.254   6.254
  190   2HG   LYS  29          2HG       LYS  29 -12.412   6.213   6.213
  191   1HD   LYS  29          1HD       LYS  29 -12.156   7.852   7.852
  192   2HD   LYS  29          2HD       LYS  29 -10.445   7.554   7.554
  193   1HE   LYS  29          1HE       LYS  29 -11.519   8.785   8.785
  194   2HE   LYS  29          2HE       LYS  29 -10.984   9.735   9.735
  195   1HZ   LYS  29          1HZ       LYS  29  -9.248   7.725   7.725
  196   2HZ   LYS  29          2HZ       LYS  29  -9.292   9.328   9.328
  197    H    ALA  30           H        ALA  30  -7.409   3.923   3.923
  198    HA   ALA  30           HA       ALA  30  -8.437   1.715   1.715
  199   1HB   ALA  30          1HB       ALA  30  -6.301   1.691   1.691
  200   2HB   ALA  30          2HB       ALA  30  -5.642   2.906   2.906
  201   3HB   ALA  30          3HB       ALA  30  -6.044   1.283   1.283
  202    H    SER  31           H        SER  31  -7.681   1.645   1.645
  203    HA   SER  31           HA       SER  31  -8.197   4.048   4.048
  204   1HB   SER  31          1HB       SER  31  -6.819   1.435   1.435
  205   2HB   SER  31          2HB       SER  31  -7.216   2.722   2.722
  206    HG   SER  31           HG       SER  31  -9.098   1.238   1.238
  207    H    HIS  32           H        HIS  32  -5.281   2.313   2.313
  208    HA   HIS  32           HA       HIS  32  -3.844   4.750   4.750
  209   1HB   HIS  32          1HB       HIS  32  -2.474   4.776   4.776
  210   2HB   HIS  32          2HB       HIS  32  -3.809   4.006   4.006
  211    HD1  HIS  32           HD1      HIS  32  -0.201   3.479   3.479
  212    HD2  HIS  32           HD2      HIS  32  -3.633   1.211   1.211
  213    HE1  HIS  32           HE1      HIS  32   0.552   1.085   1.085
  214    H    GLY  33           H        GLY  33  -1.252   4.010   4.010
  215   1HA   GLY  33          1HA       GLY  33  -1.084   1.497   1.497
  216   2HA   GLY  33          2HA       GLY  33  -0.543   2.935   2.935
  217    H    ALA  34           H        ALA  34   1.191   0.814   0.814
  218    HA   ALA  34           HA       ALA  34   3.347   2.137   2.137
  219   1HB   ALA  34          1HB       ALA  34   2.221  -0.404  -0.404
  220   2HB   ALA  34          2HB       ALA  34   3.831   0.249   0.249
  221   3HB   ALA  34          3HB       ALA  34   2.391   1.188   1.188
  222    H    CYS  35           H        CYS  35   5.318   1.451   1.451
  223    HA   CYS  35           HA       CYS  35   5.290  -0.194  -0.194
  224   1HB   CYS  35          1HB       CYS  35   6.796   1.838   1.838
  225   2HB   CYS  35          2HB       CYS  35   7.788   0.626   0.626
  226    H    HIS  36           H        HIS  36   6.011  -2.432  -2.432
  227    HA   HIS  36           HA       HIS  36   7.542  -3.530  -3.530
  228   1HB   HIS  36          1HB       HIS  36   5.468  -5.212  -5.212
  229   2HB   HIS  36          2HB       HIS  36   6.427  -5.578  -5.578
  230    HD1  HIS  36           HD1      HIS  36   5.666  -2.736  -2.736
  231    HD2  HIS  36           HD2      HIS  36   3.184  -5.546  -5.546
  232    HE1  HIS  36           HE1      HIS  36   3.418  -2.638  -2.638
  233    H    LYS  37           H        LYS  37   9.071  -4.983  -4.983
  234    HA   LYS  37           HA       LYS  37   9.437  -5.614  -5.614
  235   1HB   LYS  37          1HB       LYS  37  11.337  -4.989  -4.989
  236   2HB   LYS  37          2HB       LYS  37  11.093  -6.415  -6.415
  237   1HG   LYS  37          1HG       LYS  37  11.238  -7.650  -7.650
  238   2HG   LYS  37          2HG       LYS  37  11.814  -6.183  -6.183
  239   1HD   LYS  37          1HD       LYS  37  13.191  -7.213  -7.213
  240   2HD   LYS  37          2HD       LYS  37  13.407  -8.132  -8.132
  241   1HE   LYS  37          1HE       LYS  37  14.001  -5.701  -5.701
  242   2HE   LYS  37          2HE       LYS  37  14.369  -5.385  -5.385
  243   1HZ   LYS  37          1HZ       LYS  37  15.429  -7.845  -7.845
  244   2HZ   LYS  37          2HZ       LYS  37  16.040  -6.448  -6.448
  245    H    ARG  38           H        ARG  38   8.691  -7.436  -7.436
  246    HA   ARG  38           HA       ARG  38   8.157  -9.829  -9.829
  247   1HB   ARG  38          1HB       ARG  38   6.159  -7.890  -7.890
  248   2HB   ARG  38          2HB       ARG  38   5.867  -9.417  -9.417
  249   1HG   ARG  38          1HG       ARG  38   6.255  -9.185  -9.185
  250   2HG   ARG  38          2HG       ARG  38   4.671  -9.078  -9.078
  251   1HD   ARG  38          1HD       ARG  38   4.947 -11.296 -11.296
  252   2HD   ARG  38          2HD       ARG  38   6.563 -11.457 -11.457
  253   1HH1  ARG  38          1HH2      ARG  38   5.568 -13.468 -13.468
  254   2HH1  ARG  38          2HH2      ARG  38   5.023 -14.785 -14.785
  255   1HH2  ARG  38          1HH1      ARG  38   3.932 -12.690 -12.690
  256   2HH2  ARG  38          2HH1      ARG  38   4.071 -14.327 -14.327
  257    H    GLU  39           H        GLU  39   8.752 -11.621 -11.621
  258    HA   GLU  39           HA       GLU  39   9.974 -12.713 -12.713
  259   1HB   GLU  39          1HB       GLU  39   7.866 -11.535 -11.535
  260   2HB   GLU  39          2HB       GLU  39   9.002 -12.826 -12.826
  261   1HG   GLU  39          1HG       GLU  39   7.050 -13.973 -13.973
  262   2HG   GLU  39          2HG       GLU  39   8.053 -14.153 -14.153
  263    H    ASN  40           H        ASN  40  11.090 -10.340 -10.340
  264    HA   ASN  40           HA       ASN  40  12.575  -8.767  -8.767
  265   1HB   ASN  40          1HB       ASN  40  13.585 -10.875 -10.875
  266   2HB   ASN  40          2HB       ASN  40  13.140 -10.128 -10.128
  267   1HD2  ASN  40          2HD2      ASN  40  15.281  -9.668  -9.668
  268   2HD2  ASN  40          1HD2      ASN  40  16.372  -8.577  -8.577
  269    H    HIS  41           H        HIS  41   9.796  -8.418  -8.418
  270    HA   HIS  41           HA       HIS  41  10.541  -6.189  -6.189
  271   1HB   HIS  41          1HB       HIS  41   8.040  -7.873  -7.873
  272   2HB   HIS  41          2HB       HIS  41   8.218  -6.457  -6.457
  273    HD1  HIS  41           HD1      HIS  41  10.470  -6.659  -6.659
  274    HD2  HIS  41           HD2      HIS  41   8.915 -10.193 -10.193
  275    HE1  HIS  41           HE1      HIS  41  11.458  -8.629  -8.629
  276    H    TRP  42           H        TRP  42  10.200  -4.204  -4.204
  277    HA   TRP  42           HA       TRP  42   8.811  -4.012  -4.012
  278   1HB   TRP  42          1HB       TRP  42  10.360  -2.112  -2.112
  279   2HB   TRP  42          2HB       TRP  42   9.300  -1.565  -1.565
  280    HD1  TRP  42           HD1      TRP  42  12.499  -3.553  -3.553
  281    HE1  TRP  42           HE1      TRP  42  13.759  -3.559  -3.559
  282    HE3  TRP  42           HE3      TRP  42   8.807  -1.824  -1.824
  283    HZ2  TRP  42           HZ2      TRP  42  13.089  -3.176  -3.176
  284    HZ3  TRP  42           HZ3      TRP  42   9.201  -1.254  -1.254
  285    HH2  TRP  42           HH2      TRP  42  11.300  -2.202  -2.202
  286    H    LYS  43           H        LYS  43   6.555  -4.060  -4.060
  287    HA   LYS  43           HA       LYS  43   5.231  -2.602  -2.602
  288   1HB   LYS  43          1HB       LYS  43   3.710  -4.319  -4.319
  289   2HB   LYS  43          2HB       LYS  43   3.425  -4.011  -4.011
  290   1HG   LYS  43          1HG       LYS  43   5.557  -5.730  -5.730
  291   2HG   LYS  43          2HG       LYS  43   4.226  -6.356  -6.356
  292   1HD   LYS  43          1HD       LYS  43   6.442  -4.853  -4.853
  293   2HD   LYS  43          2HD       LYS  43   6.113  -6.570  -6.570
  294   1HE   LYS  43          1HE       LYS  43   5.339  -5.879  -5.879
  295   2HE   LYS  43          2HE       LYS  43   3.879  -6.134  -6.134
  296   1HZ   LYS  43          1HZ       LYS  43   4.735  -3.860  -3.860
  297   2HZ   LYS  43          2HZ       LYS  43   3.296  -4.084  -4.084
  298    H    CYS  44           H        CYS  44   3.892  -0.886  -0.886
  299    HA   CYS  44           HA       CYS  44   3.765   0.114   0.114
  300   1HB   CYS  44          1HB       CYS  44   3.790   1.793   1.793
  301   2HB   CYS  44          2HB       CYS  44   2.583   0.979   0.979
  302    H    PHE  45           H        PHE  45   2.554  -1.206  -1.206
  303    HA   PHE  45           HA       PHE  45   0.205  -2.642  -2.642
  304   1HB   PHE  45          1HB       PHE  45   1.788  -2.778  -2.778
  305   2HB   PHE  45          2HB       PHE  45   0.146  -3.362  -3.362
  306    HD1  PHE  45           HD2      PHE  45   3.387  -3.802  -3.802
  307    HD2  PHE  45           HD1      PHE  45  -0.383  -5.531  -5.531
  308    HE1  PHE  45           HE2      PHE  45   4.175  -6.042  -6.042
  309    HE2  PHE  45           HE1      PHE  45   0.371  -7.740  -7.740
  310    HZ   PHE  45           HZ       PHE  45   2.648  -8.002  -8.002
  311    H    CYS  46           H        CYS  46  -1.863  -2.281  -2.281
  312    HA   CYS  46           HA       CYS  46  -2.410   0.267   0.267
  313   1HB   CYS  46          1HB       CYS  46  -3.990  -1.116  -1.116
  314   2HB   CYS  46          2HB       CYS  46  -4.442   0.352   0.352
  315    H    TYR  47           H        TYR  47  -4.156   0.227   0.227
  316    HA   TYR  47           HA       TYR  47  -4.858  -2.481  -2.481
  317   1HB   TYR  47          1HB       TYR  47  -3.839   0.118   0.118
  318   2HB   TYR  47          2HB       TYR  47  -4.542  -1.077  -1.077
  319    HD1  TYR  47           HD2      TYR  47  -1.694  -0.394  -0.394
  320    HD2  TYR  47           HD1      TYR  47  -3.384  -3.069  -3.069
  321    HE1  TYR  47           HE2      TYR  47   0.496  -1.504  -1.504
  322    HE2  TYR  47           HE1      TYR  47  -1.152  -4.056  -4.056
  323    HH   TYR  47           HH       TYR  47   0.971  -4.231  -4.231
  324    H    PHE  48           H        PHE  48  -7.058  -2.642  -2.642
  325    HA   PHE  48           HA       PHE  48  -8.544  -0.140  -0.140
  326   1HB   PHE  48          1HB       PHE  48  -8.784  -2.948  -2.948
  327   2HB   PHE  48          2HB       PHE  48 -10.227  -1.981  -1.981
  328    HD1  PHE  48           HD1      PHE  48  -6.729  -1.779  -1.779
  329    HD2  PHE  48           HD2      PHE  48 -10.832  -0.468  -0.468
  330    HE1  PHE  48           HE1      PHE  48  -6.215  -0.634  -0.634
  331    HE2  PHE  48           HE2      PHE  48 -10.315   0.585   0.585
  332    HZ   PHE  48           HZ       PHE  48  -8.024   0.408   0.408
  333    H    ASN  49           H        ASN  49  -9.744  -3.235  -3.235
  334    HA   ASN  49           HA       ASN  49 -11.973  -1.843  -1.843
  335   1HB   ASN  49          1HB       ASN  49 -11.207  -4.794  -4.794
  336   2HB   ASN  49          2HB       ASN  49 -12.808  -4.207  -4.207
  337   1HD2  ASN  49          2HD2      ASN  49 -14.222  -3.427  -3.427
  338   2HD2  ASN  49          1HD2      ASN  49 -13.806  -3.588  -3.588
  339    H    CYS  50           H        CYS  50  -9.660  -1.214  -1.214
  340    HA   CYS  50           HA       CYS  50  -9.057  -2.933  -2.933
  341   1HB   CYS  50          1HB       CYS  50  -7.552  -1.349  -1.349
  342   2HB   CYS  50          2HB       CYS  50  -8.402  -0.053  -0.053

  Start of MODEL   17
    1   1H    LEU   1          3H        LEU   1 -12.340  -4.774  -4.774
    2   2H    LEU   1          1H        LEU   1 -12.403  -4.519  -4.519
    3   3H    LEU   1          2H        LEU   1 -11.641  -3.397  -3.397
    4    HA   LEU   1           HA       LEU   1 -10.035  -4.692  -4.692
    5   1HB   LEU   1          1HB       LEU   1 -11.397  -6.722  -6.722
    6   2HB   LEU   1          2HB       LEU   1 -11.387  -7.022  -7.022
    7    HG   LEU   1           HG       LEU   1  -8.925  -7.387  -7.387
    8   1HD1  LEU   1          1HD1      LEU   1  -9.266  -7.021  -7.021
    9   2HD1  LEU   1          2HD1      LEU   1  -7.828  -7.692  -7.692
   10   3HD1  LEU   1          3HD1      LEU   1  -8.273  -6.009  -6.009
   11   1HD2  LEU   1          1HD2      LEU   1 -10.496  -9.272  -9.272
   12   2HD2  LEU   1          2HD2      LEU   1  -9.012  -9.543  -9.543
   13   3HD2  LEU   1          3HD2      LEU   1 -10.500  -9.054  -9.054
   14    H    CYS   2           H        CYS   2  -7.982  -4.496  -4.496
   15    HA   CYS   2           HA       CYS   2  -8.345  -3.256  -3.256
   16   1HB   CYS   2          1HB       CYS   2  -5.636  -4.204  -4.204
   17   2HB   CYS   2          2HB       CYS   2  -6.152  -2.794  -2.794
   18    H    ASN   3           H        ASN   3  -8.934  -4.072  -4.072
   19    HA   ASN   3           HA       ASN   3  -8.139  -6.710  -6.710
   20   1HB   ASN   3          1HB       ASN   3 -10.297  -5.892  -5.892
   21   2HB   ASN   3          2HB       ASN   3  -9.618  -4.323  -4.323
   22   1HD2  ASN   3          2HD2      ASN   3  -8.829  -7.769  -7.769
   23   2HD2  ASN   3          1HD2      ASN   3  -8.773  -7.500  -7.500
   24    H    GLU   4           H        GLU   4  -5.862  -6.505  -6.505
   25    HA   GLU   4           HA       GLU   4  -4.275  -4.511  -4.511
   26   1HB   GLU   4          1HB       GLU   4  -3.460  -5.663  -5.663
   27   2HB   GLU   4          2HB       GLU   4  -3.789  -7.241  -7.241
   28   1HG   GLU   4          1HG       GLU   4  -2.117  -6.933  -6.933
   29   2HG   GLU   4          2HG       GLU   4  -1.691  -5.305  -5.305
   30    H    ARG   5           H        ARG   5  -3.790  -4.517  -4.517
   31    HA   ARG   5           HA       ARG   5  -3.784  -7.036  -7.036
   32   1HB   ARG   5          1HB       ARG   5  -5.260  -6.051  -6.051
   33   2HB   ARG   5          2HB       ARG   5  -6.107  -6.370  -6.370
   34   1HG   ARG   5          1HG       ARG   5  -6.146  -4.035  -4.035
   35   2HG   ARG   5          2HG       ARG   5  -4.985  -3.639  -3.639
   36   1HD   ARG   5          1HD       ARG   5  -6.861  -3.014  -3.014
   37   2HD   ARG   5          2HD       ARG   5  -6.800  -4.685  -4.685
   38   1HH1  ARG   5          1HH2      ARG   5  -8.557  -3.151  -3.151
   39   2HH1  ARG   5          2HH2      ARG   5 -10.203  -2.651  -2.651
   40   1HH2  ARG   5          1HH1      ARG   5 -10.425  -4.196  -4.196
   41   2HH2  ARG   5          2HH1      ARG   5 -11.354  -3.318  -3.318
   42    HA   PRO   6           HA       PRO   6  -0.319  -5.041  -5.041
   43   1HB   PRO   6          1HB       PRO   6  -0.035  -6.224  -6.224
   44   2HB   PRO   6          2HB       PRO   6   0.178  -7.107  -7.107
   45   1HG   PRO   6          1HG       PRO   6  -2.330  -6.954  -6.954
   46   2HG   PRO   6          2HG       PRO   6  -1.511  -8.427  -8.427
   47   1HD   PRO   6          1HD       PRO   6  -3.606  -7.380  -7.380
   48   2HD   PRO   6          2HD       PRO   6  -2.195  -7.982  -7.982
   49    H    SER   7           H        SER   7   0.510  -3.922  -3.922
   50    HA   SER   7           HA       SER   7  -0.459  -1.513  -1.513
   51   1HB   SER   7          1HB       SER   7   0.556  -2.093  -2.093
   52   2HB   SER   7          2HB       SER   7   1.540  -1.767  -1.767
   53    HG   SER   7           HG       SER   7   0.710  -4.342  -4.342
   54    H    GLN   8           H        GLN   8  -2.485  -0.953  -0.953
   55    HA   GLN   8           HA       GLN   8  -4.187  -2.274  -2.274
   56   1HB   GLN   8          1HB       GLN   8  -4.608   0.223   0.223
   57   2HB   GLN   8          2HB       GLN   8  -5.816  -0.597  -0.597
   58   1HG   GLN   8          1HG       GLN   8  -4.412  -1.772  -1.772
   59   2HG   GLN   8          2HG       GLN   8  -6.011  -1.031  -1.031
   60   1HE2  GLN   8          2HE2      GLN   8  -4.129  -3.867  -3.867
   61   2HE2  GLN   8          1HE2      GLN   8  -5.515  -4.854  -4.854
   62    H    THR   9           H        THR   9  -3.038   1.054   1.054
   63    HA   THR   9           HA       THR   9  -3.283   2.046   2.046
   64    HB   THR   9           HB       THR   9  -2.124   3.996   3.996
   65    HG1  THR   9           HG1      THR   9  -2.576   3.500   3.500
   66   1HG2  THR   9          3HG2      THR   9  -4.829   2.863   2.863
   67   2HG2  THR   9          1HG2      THR   9  -4.263   4.517   4.517
   68   3HG2  THR   9          2HG2      THR   9  -4.519   3.987   3.987
   69    H    TRP  10           H        TRP  10  -0.811   1.713   1.713
   70    HA   TRP  10           HA       TRP  10   1.381   2.517   2.517
   71   1HB   TRP  10          1HB       TRP  10   0.978   2.419   2.419
   72   2HB   TRP  10          2HB       TRP  10   1.494   0.741   0.741
   73    HD1  TRP  10           HD1      TRP  10   4.091   0.597   0.597
   74    HE1  TRP  10           HE1      TRP  10   6.146   2.142   2.142
   75    HE3  TRP  10           HE3      TRP  10   1.844   4.473   4.473
   76    HZ2  TRP  10           HZ2      TRP  10   6.684   4.730   4.730
   77    HZ3  TRP  10           HZ3      TRP  10   3.128   6.477   6.477
   78    HH2  TRP  10           HH2      TRP  10   5.597   6.596   6.596
   79    H    SER  11           H        SER  11   0.909   1.122   1.122
   80    HA   SER  11           HA       SER  11   1.488  -1.678  -1.678
   81   1HB   SER  11          1HB       SER  11   1.142   0.096   0.096
   82   2HB   SER  11          2HB       SER  11   1.009  -1.670  -1.670
   83    HG   SER  11           HG       SER  11  -0.654   0.174   0.174
   84    H    GLY  12           H        GLY  12   3.649  -1.103  -1.103
   85   1HA   GLY  12          1HA       GLY  12   5.728  -2.015  -2.015
   86   2HA   GLY  12          2HA       GLY  12   5.877  -0.261  -0.261
   87    H    ASN  13           H        ASN  13   7.761  -0.405  -0.405
   88    HA   ASN  13           HA       ASN  13   7.749  -1.861  -1.861
   89   1HB   ASN  13          1HB       ASN  13   9.698  -2.090  -2.090
   90   2HB   ASN  13          2HB       ASN  13  10.029  -0.363  -0.363
   91   1HD2  ASN  13          2HD2      ASN  13  10.603   0.415   0.415
   92   2HD2  ASN  13          1HD2      ASN  13  11.377  -0.774  -0.774
   93    H    CYS  14           H        CYS  14   8.080  -0.687  -0.687
   94    HA   CYS  14           HA       CYS  14   6.826   1.785   1.785
   95   1HB   CYS  14          1HB       CYS  14   7.284   0.050   0.050
   96   2HB   CYS  14          2HB       CYS  14   9.011   0.467   0.467
   97    H    GLY  15           H        GLY  15   7.657   3.799   3.799
   98   1HA   GLY  15          1HA       GLY  15  10.454   4.504   4.504
   99   2HA   GLY  15          2HA       GLY  15   9.064   5.566   5.566
  100    H    ASN  16           H        ASN  16   7.636   5.476   5.476
  101    HA   ASN  16           HA       ASN  16   9.257   5.550   5.550
  102   1HB   ASN  16          1HB       ASN  16   9.516   7.852   7.852
  103   2HB   ASN  16          2HB       ASN  16   7.774   8.099   8.099
  104   1HD2  ASN  16          2HD2      ASN  16  10.246   9.424   9.424
  105   2HD2  ASN  16          1HD2      ASN  16   9.964   9.281   9.281
  106    H    THR  17           H        THR  17   8.030   4.834   4.834
  107    HA   THR  17           HA       THR  17   5.405   3.890   3.890
  108    HB   THR  17           HB       THR  17   7.085   2.959   2.959
  109    HG1  THR  17           HG1      THR  17   4.558   3.447   3.447
  110   1HG2  THR  17          3HG2      THR  17   7.726   5.047   5.047
  111   2HG2  THR  17          1HG2      THR  17   6.109   5.099   5.099
  112   3HG2  THR  17          2HG2      THR  17   7.201   3.749   3.749
  113    H    ALA  18           H        ALA  18   6.642   6.935   6.935
  114    HA   ALA  18           HA       ALA  18   4.148   7.955   7.955
  115   1HB   ALA  18          1HB       ALA  18   6.382   8.862   8.862
  116   2HB   ALA  18          2HB       ALA  18   6.583   9.453   9.453
  117   3HB   ALA  18          3HB       ALA  18   5.297  10.112  10.112
  118    H    HIS  19           H        HIS  19   5.270   7.413   7.413
  119    HA   HIS  19           HA       HIS  19   3.229   9.235   9.235
  120   1HB   HIS  19          1HB       HIS  19   5.563   9.021   9.021
  121   2HB   HIS  19          2HB       HIS  19   5.147   7.388   7.388
  122    HD1  HIS  19           HD1      HIS  19   5.953   9.034   9.034
  123    HD2  HIS  19           HD2      HIS  19   2.018   9.213   9.213
  124    HE1  HIS  19           HE1      HIS  19   4.399   9.607   9.607
  125    H    CYS  20           H        CYS  20   4.187   5.759   5.759
  126    HA   CYS  20           HA       CYS  20   2.107   4.484   4.484
  127   1HB   CYS  20          1HB       CYS  20   3.846   3.203   3.203
  128   2HB   CYS  20          2HB       CYS  20   3.320   3.775   3.775
  129    H    ASP  21           H        ASP  21   2.050   5.635   5.635
  130    HA   ASP  21           HA       ASP  21  -0.601   4.822   4.822
  131   1HB   ASP  21          1HB       ASP  21   0.983   5.479   5.479
  132   2HB   ASP  21          2HB       ASP  21   1.091   7.124   7.124
  133    H    LYS  22           H        LYS  22   0.616   7.758   7.758
  134    HA   LYS  22           HA       LYS  22  -1.913   9.166   9.166
  135   1HB   LYS  22          1HB       LYS  22   0.326   9.506   9.506
  136   2HB   LYS  22          2HB       LYS  22  -1.066  10.557  10.557
  137   1HG   LYS  22          1HG       LYS  22  -0.334  10.745  10.745
  138   2HG   LYS  22          2HG       LYS  22   1.142   9.901   9.901
  139   1HD   LYS  22          1HD       LYS  22   1.689  11.766  11.766
  140   2HD   LYS  22          2HD       LYS  22   0.133  12.524  12.524
  141   1HE   LYS  22          1HE       LYS  22   1.844  13.714  13.714
  142   2HE   LYS  22          2HE       LYS  22   0.792  12.849  12.849
  143   1HZ   LYS  22          1HZ       LYS  22   2.695  11.048  11.048
  144   2HZ   LYS  22          2HZ       LYS  22   3.592  12.453  12.453
  145    H    GLN  23           H        GLN  23  -0.214   6.994   6.994
  146    HA   GLN  23           HA       GLN  23  -2.495   7.093   7.093
  147   1HB   GLN  23          1HB       GLN  23  -0.258   5.114   5.114
  148   2HB   GLN  23          2HB       GLN  23  -1.435   5.662   5.662
  149   1HG   GLN  23          1HG       GLN  23  -0.506   8.048   8.048
  150   2HG   GLN  23          2HG       GLN  23   0.861   7.211   7.211
  151   1HE2  GLN  23          2HE2      GLN  23   0.303   5.009   5.009
  152   2HE2  GLN  23          1HE2      GLN  23   1.173   5.763   5.763
  153    H    CYS  24           H        CYS  24  -3.229   6.211   6.211
  154    HA   CYS  24           HA       CYS  24  -4.656   3.693   3.693
  155   1HB   CYS  24          1HB       CYS  24  -2.829   4.165   4.165
  156   2HB   CYS  24          2HB       CYS  24  -4.071   2.921   2.921
  157    H    GLN  25           H        GLN  25  -3.946   6.372   6.372
  158    HA   GLN  25           HA       GLN  25  -6.751   6.438   6.438
  159   1HB   GLN  25          1HB       GLN  25  -4.518   8.443   8.443
  160   2HB   GLN  25          2HB       GLN  25  -6.117   8.408   8.408
  161   1HG   GLN  25          1HG       GLN  25  -5.611   6.161   6.161
  162   2HG   GLN  25          2HG       GLN  25  -3.983   6.252   6.252
  163   1HE2  GLN  25          2HE2      GLN  25  -5.466   6.509   6.509
  164   2HE2  GLN  25          1HE2      GLN  25  -4.505   7.761   7.761
  165    H    ASP  26           H        ASP  26  -4.695   8.375   8.375
  166    HA   ASP  26           HA       ASP  26  -6.858  10.351  10.351
  167   1HB   ASP  26          1HB       ASP  26  -4.103  10.182  10.182
  168   2HB   ASP  26          2HB       ASP  26  -5.282  11.448  11.448
  169    H    TRP  27           H        TRP  27  -4.979   8.171   8.171
  170    HA   TRP  27           HA       TRP  27  -6.546   8.647   8.647
  171   1HB   TRP  27          1HB       TRP  27  -4.525   6.504   6.504
  172   2HB   TRP  27          2HB       TRP  27  -5.295   6.626   6.626
  173    HD1  TRP  27           HD1      TRP  27  -3.976   9.790   9.790
  174    HE1  TRP  27           HE1      TRP  27  -2.004  10.714  10.714
  175    HE3  TRP  27           HE3      TRP  27  -3.617   6.110   6.110
  176    HZ2  TRP  27           HZ2      TRP  27  -0.427   9.918   9.918
  177    HZ3  TRP  27           HZ3      TRP  27  -1.811   6.154   6.154
  178    HH2  TRP  27           HH2      TRP  27  -0.213   8.031   8.031
  179    H    GLU  28           H        GLU  28  -6.149   5.686   5.686
  180    HA   GLU  28           HA       GLU  28  -8.700   4.506   4.506
  181   1HB   GLU  28          1HB       GLU  28  -6.611   3.695   3.695
  182   2HB   GLU  28          2HB       GLU  28  -7.951   2.686   2.686
  183   1HG   GLU  28          1HG       GLU  28  -5.793   3.567   3.567
  184   2HG   GLU  28          2HG       GLU  28  -5.837   2.032   2.032
  185    H    LYS  29           H        LYS  29  -9.025   3.613   3.613
  186    HA   LYS  29           HA       LYS  29  -9.553   5.870   5.870
  187   1HB   LYS  29          1HB       LYS  29 -11.908   4.444   4.444
  188   2HB   LYS  29          2HB       LYS  29 -12.099   5.210   5.210
  189   1HG   LYS  29          1HG       LYS  29 -11.387   6.701   6.701
  190   2HG   LYS  29          2HG       LYS  29 -12.967   6.575   6.575
  191   1HD   LYS  29          1HD       LYS  29 -12.598   8.009   8.009
  192   2HD   LYS  29          2HD       LYS  29 -10.921   7.557   7.557
  193   1HE   LYS  29          1HE       LYS  29 -11.882   9.260   9.260
  194   2HE   LYS  29          2HE       LYS  29 -11.259   9.913   9.913
  195   1HZ   LYS  29          1HZ       LYS  29  -9.644   7.964   7.964
  196   2HZ   LYS  29          2HZ       LYS  29  -9.683   9.560   9.560
  197    H    ALA  30           H        ALA  30  -7.898   4.199   4.199
  198    HA   ALA  30           HA       ALA  30  -8.889   1.863   1.863
  199   1HB   ALA  30          1HB       ALA  30  -6.956   1.729   1.729
  200   2HB   ALA  30          2HB       ALA  30  -6.075   2.846   2.846
  201   3HB   ALA  30          3HB       ALA  30  -6.524   1.237   1.237
  202    H    SER  31           H        SER  31  -8.099   1.644   1.644
  203    HA   SER  31           HA       SER  31  -8.353   3.895   3.895
  204   1HB   SER  31          1HB       SER  31  -6.981   1.249   1.249
  205   2HB   SER  31          2HB       SER  31  -7.736   2.324   2.324
  206    HG   SER  31           HG       SER  31  -9.734   1.952   1.952
  207    H    HIS  32           H        HIS  32  -5.484   2.150   2.150
  208    HA   HIS  32           HA       HIS  32  -4.028   4.585   4.585
  209   1HB   HIS  32          1HB       HIS  32  -2.289   4.331   4.331
  210   2HB   HIS  32          2HB       HIS  32  -3.697   3.932   3.932
  211    HD1  HIS  32           HD1      HIS  32  -0.300   2.729   2.729
  212    HD2  HIS  32           HD2      HIS  32  -4.052   1.054   1.054
  213    HE1  HIS  32           HE1      HIS  32   0.101   0.326   0.326
  214    H    GLY  33           H        GLY  33  -1.602   4.000   4.000
  215   1HA   GLY  33          1HA       GLY  33  -1.438   1.390   1.390
  216   2HA   GLY  33          2HA       GLY  33  -0.809   2.766   2.766
  217    H    ALA  34           H        ALA  34   0.811   0.621   0.621
  218    HA   ALA  34           HA       ALA  34   2.973   1.908   1.908
  219   1HB   ALA  34          1HB       ALA  34   1.777  -0.540  -0.540
  220   2HB   ALA  34          2HB       ALA  34   3.393   0.111   0.111
  221   3HB   ALA  34          3HB       ALA  34   1.957   1.086   1.086
  222    H    CYS  35           H        CYS  35   4.959   1.119   1.119
  223    HA   CYS  35           HA       CYS  35   4.747  -0.783  -0.783
  224   1HB   CYS  35          1HB       CYS  35   6.997   0.881   0.881
  225   2HB   CYS  35          2HB       CYS  35   7.207  -0.299  -0.299
  226    H    HIS  36           H        HIS  36   5.687  -2.873  -2.873
  227    HA   HIS  36           HA       HIS  36   7.357  -3.841  -3.841
  228   1HB   HIS  36          1HB       HIS  36   5.265  -5.683  -5.683
  229   2HB   HIS  36          2HB       HIS  36   6.180  -5.784  -5.784
  230    HD1  HIS  36           HD1      HIS  36   5.439  -3.088  -3.088
  231    HD2  HIS  36           HD2      HIS  36   2.829  -5.351  -5.351
  232    HE1  HIS  36           HE1      HIS  36   3.069  -2.652  -2.652
  233    H    LYS  37           H        LYS  37   8.870  -5.414  -5.414
  234    HA   LYS  37           HA       LYS  37   9.169  -5.886  -5.886
  235   1HB   LYS  37          1HB       LYS  37  11.049  -5.391  -5.391
  236   2HB   LYS  37          2HB       LYS  37  10.842  -6.889  -6.889
  237   1HG   LYS  37          1HG       LYS  37  10.911  -7.867  -7.867
  238   2HG   LYS  37          2HG       LYS  37  11.593  -6.331  -6.331
  239   1HD   LYS  37          1HD       LYS  37  12.869  -7.814  -7.814
  240   2HD   LYS  37          2HD       LYS  37  13.071  -8.508  -8.508
  241   1HE   LYS  37          1HE       LYS  37  13.816  -6.043  -6.043
  242   2HE   LYS  37          2HE       LYS  37  14.069  -5.864  -5.864
  243   1HZ   LYS  37          1HZ       LYS  37  15.184  -8.257  -8.257
  244   2HZ   LYS  37          2HZ       LYS  37  15.809  -6.856  -6.856
  245    H    ARG  38           H        ARG  38   8.197  -7.428  -7.428
  246    HA   ARG  38           HA       ARG  38   7.764 -10.130 -10.130
  247   1HB   ARG  38          1HB       ARG  38   6.040  -8.572  -8.572
  248   2HB   ARG  38          2HB       ARG  38   5.814 -10.280 -10.280
  249   1HG   ARG  38          1HG       ARG  38   5.396  -7.916  -7.916
  250   2HG   ARG  38          2HG       ARG  38   4.149  -8.838  -8.838
  251   1HD   ARG  38          1HD       ARG  38   4.149  -9.693  -9.693
  252   2HD   ARG  38          2HD       ARG  38   4.958 -10.922 -10.922
  253   1HH1  ARG  38          1HH1      ARG  38   4.976 -11.835 -11.835
  254   2HH1  ARG  38          2HH1      ARG  38   6.189 -12.393 -12.393
  255   1HH2  ARG  38          1HH2      ARG  38   8.401  -9.698  -9.698
  256   2HH2  ARG  38          2HH2      ARG  38   8.230 -11.079 -11.079
  257    H    GLU  39           H        GLU  39   8.741 -11.693 -11.693
  258    HA   GLU  39           HA       GLU  39  10.293 -12.486 -12.486
  259   1HB   GLU  39          1HB       GLU  39   8.015 -11.463 -11.463
  260   2HB   GLU  39          2HB       GLU  39   9.249 -12.632 -12.632
  261   1HG   GLU  39          1HG       GLU  39   7.412 -13.960 -13.960
  262   2HG   GLU  39          2HG       GLU  39   8.525 -14.097 -14.097
  263    H    ASN  40           H        ASN  40  11.291 -10.177 -10.177
  264    HA   ASN  40           HA       ASN  40  12.677  -8.493  -8.493
  265   1HB   ASN  40          1HB       ASN  40  13.708 -10.491 -10.491
  266   2HB   ASN  40          2HB       ASN  40  13.211  -9.603  -9.603
  267   1HD2  ASN  40          2HD2      ASN  40  15.217  -8.759  -8.759
  268   2HD2  ASN  40          1HD2      ASN  40  16.335  -7.838  -7.838
  269    H    HIS  41           H        HIS  41   9.856  -8.172  -8.172
  270    HA   HIS  41           HA       HIS  41  10.437  -5.709  -5.709
  271   1HB   HIS  41          1HB       HIS  41   8.045  -7.549  -7.549
  272   2HB   HIS  41          2HB       HIS  41   8.120  -6.010  -6.010
  273    HD1  HIS  41           HD1      HIS  41  10.390  -5.874  -5.874
  274    HD2  HIS  41           HD2      HIS  41   8.993  -9.656  -9.656
  275    HE1  HIS  41           HE1      HIS  41  11.425  -7.616  -7.616
  276    H    TRP  42           H        TRP  42  10.072  -3.909  -3.909
  277    HA   TRP  42           HA       TRP  42   8.591  -4.124  -4.124
  278   1HB   TRP  42          1HB       TRP  42  10.055  -1.890  -1.890
  279   2HB   TRP  42          2HB       TRP  42   9.008  -1.663  -1.663
  280    HD1  TRP  42           HD1      TRP  42  12.202  -3.528  -3.528
  281    HE1  TRP  42           HE1      TRP  42  13.555  -3.901  -3.901
  282    HE3  TRP  42           HE3      TRP  42   8.714  -2.041  -2.041
  283    HZ2  TRP  42           HZ2      TRP  42  13.009  -3.901  -3.901
  284    HZ3  TRP  42           HZ3      TRP  42   9.168  -2.102  -2.102
  285    HH2  TRP  42           HH2      TRP  42  11.289  -3.123  -3.123
  286    H    LYS  43           H        LYS  43   6.385  -4.452  -4.452
  287    HA   LYS  43           HA       LYS  43   5.038  -2.847  -2.847
  288   1HB   LYS  43          1HB       LYS  43   3.628  -4.712  -4.712
  289   2HB   LYS  43          2HB       LYS  43   3.203  -4.261  -4.261
  290   1HG   LYS  43          1HG       LYS  43   5.417  -6.029  -6.029
  291   2HG   LYS  43          2HG       LYS  43   4.089  -6.591  -6.591
  292   1HD   LYS  43          1HD       LYS  43   6.213  -4.802  -4.802
  293   2HD   LYS  43          2HD       LYS  43   6.035  -6.543  -6.543
  294   1HE   LYS  43          1HE       LYS  43   5.180  -5.717  -5.717
  295   2HE   LYS  43          2HE       LYS  43   3.772  -6.234  -6.234
  296   1HZ   LYS  43          1HZ       LYS  43   4.321  -3.760  -3.760
  297   2HZ   LYS  43          2HZ       LYS  43   2.948  -4.221  -4.221
  298    H    CYS  44           H        CYS  44   3.926  -1.080  -1.080
  299    HA   CYS  44           HA       CYS  44   3.433  -0.167  -0.167
  300   1HB   CYS  44          1HB       CYS  44   3.547   1.481   1.481
  301   2HB   CYS  44          2HB       CYS  44   2.479   0.604   0.604
  302    H    PHE  45           H        PHE  45   2.019  -1.299  -1.299
  303    HA   PHE  45           HA       PHE  45  -0.249  -2.783  -2.783
  304   1HB   PHE  45          1HB       PHE  45   1.248  -3.020  -3.020
  305   2HB   PHE  45          2HB       PHE  45  -0.440  -3.447  -3.447
  306    HD1  PHE  45           HD2      PHE  45   2.592  -4.169  -4.169
  307    HD2  PHE  45           HD1      PHE  45  -1.051  -5.646  -5.646
  308    HE1  PHE  45           HE2      PHE  45   3.181  -6.498  -6.498
  309    HE2  PHE  45           HE1      PHE  45  -0.497  -7.938  -7.938
  310    HZ   PHE  45           HZ       PHE  45   1.615  -8.360  -8.360
  311    H    CYS  46           H        CYS  46  -2.322  -2.322  -2.322
  312    HA   CYS  46           HA       CYS  46  -2.792   0.219   0.219
  313   1HB   CYS  46          1HB       CYS  46  -4.392  -1.075  -1.075
  314   2HB   CYS  46          2HB       CYS  46  -4.886   0.326   0.326
  315    H    TYR  47           H        TYR  47  -4.556   0.188   0.188
  316    HA   TYR  47           HA       TYR  47  -5.362  -2.527  -2.527
  317   1HB   TYR  47          1HB       TYR  47  -4.356   0.015   0.015
  318   2HB   TYR  47          2HB       TYR  47  -5.097  -1.261  -1.261
  319    HD1  TYR  47           HD1      TYR  47  -2.149  -0.424  -0.424
  320    HD2  TYR  47           HD2      TYR  47  -3.910  -3.217  -3.217
  321    HE1  TYR  47           HE1      TYR  47   0.012  -1.609  -1.609
  322    HE2  TYR  47           HE2      TYR  47  -1.713  -4.292  -4.292
  323    HH   TYR  47           HH       TYR  47   0.344  -4.554  -4.554
  324    H    PHE  48           H        PHE  48  -7.594  -2.507  -2.507
  325    HA   PHE  48           HA       PHE  48  -9.111   0.026   0.026
  326   1HB   PHE  48          1HB       PHE  48  -9.519  -2.670  -2.670
  327   2HB   PHE  48          2HB       PHE  48 -10.771  -1.494  -1.494
  328    HD1  PHE  48           HD1      PHE  48  -7.272  -1.876  -1.876
  329    HD2  PHE  48           HD2      PHE  48 -11.052   0.195   0.195
  330    HE1  PHE  48           HE1      PHE  48  -6.587  -0.908  -0.908
  331    HE2  PHE  48           HE2      PHE  48 -10.418   0.988   0.988
  332    HZ   PHE  48           HZ       PHE  48  -8.216   0.344   0.344
  333    H    ASN  49           H        ASN  49 -11.485  -0.581  -0.581
  334    HA   ASN  49           HA       ASN  49 -12.981  -1.300  -1.300
  335   1HB   ASN  49          1HB       ASN  49 -11.473  -3.921  -3.921
  336   2HB   ASN  49          2HB       ASN  49 -13.141  -3.777  -3.777
  337   1HD2  ASN  49          2HD2      ASN  49 -14.729  -2.709  -2.709
  338   2HD2  ASN  49          1HD2      ASN  49 -14.453  -2.963  -2.963
  339    H    CYS  50           H        CYS  50 -10.307  -0.396  -0.396
  340    HA   CYS  50           HA       CYS  50  -9.994  -2.385  -2.385
  341   1HB   CYS  50          1HB       CYS  50  -8.120  -0.987  -0.987
  342   2HB   CYS  50          2HB       CYS  50  -8.712   0.258   0.258

  Start of MODEL   18
    1   1H    LEU   1          3H        LEU   1 -12.152  -4.823  -4.823
    2   2H    LEU   1          1H        LEU   1 -12.433  -4.849  -4.849
    3   3H    LEU   1          2H        LEU   1 -11.910  -3.433  -3.433
    4    HA   LEU   1           HA       LEU   1 -10.135  -4.411  -4.411
    5   1HB   LEU   1          1HB       LEU   1  -9.235  -6.549  -6.549
    6   2HB   LEU   1          2HB       LEU   1 -10.908  -6.754  -6.754
    7    HG   LEU   1           HG       LEU   1 -10.063  -6.732  -6.732
    8   1HD1  LEU   1          1HD1      LEU   1 -10.278  -9.104  -9.104
    9   2HD1  LEU   1          2HD1      LEU   1 -10.017  -9.185  -9.185
   10   3HD1  LEU   1          3HD1      LEU   1  -8.783  -8.463  -8.463
   11   1HD2  LEU   1          1HD2      LEU   1 -12.502  -7.863  -7.863
   12   2HD2  LEU   1          2HD2      LEU   1 -12.513  -6.513  -6.513
   13   3HD2  LEU   1          3HD2      LEU   1 -12.124  -8.135  -8.135
   14    H    CYS   2           H        CYS   2  -7.870  -4.508  -4.508
   15    HA   CYS   2           HA       CYS   2  -7.748  -2.679  -2.679
   16   1HB   CYS   2          1HB       CYS   2  -5.386  -4.065  -4.065
   17   2HB   CYS   2          2HB       CYS   2  -5.476  -2.453  -2.453
   18    H    ASN   3           H        ASN   3  -8.769  -3.925  -3.925
   19    HA   ASN   3           HA       ASN   3  -8.227  -6.581  -6.581
   20   1HB   ASN   3          1HB       ASN   3  -9.260  -4.758  -4.758
   21   2HB   ASN   3          2HB       ASN   3  -9.746  -6.421  -6.421
   22   1HD2  ASN   3          2HD2      ASN   3 -11.363  -6.881  -6.881
   23   2HD2  ASN   3          1HD2      ASN   3 -12.352  -5.573  -5.573
   24    H    GLU   4           H        GLU   4  -5.704  -4.852  -4.852
   25    HA   GLU   4           HA       GLU   4  -4.147  -4.540  -4.540
   26   1HB   GLU   4          1HB       GLU   4  -3.780  -6.218  -6.218
   27   2HB   GLU   4          2HB       GLU   4  -4.169  -7.495  -7.495
   28   1HG   GLU   4          1HG       GLU   4  -2.559  -6.491  -6.491
   29   2HG   GLU   4          2HG       GLU   4  -1.967  -5.337  -5.337
   30    H    ARG   5           H        ARG   5  -4.691  -3.941  -3.941
   31    HA   ARG   5           HA       ARG   5  -5.371  -5.985  -5.985
   32   1HB   ARG   5          1HB       ARG   5  -6.675  -3.454  -3.454
   33   2HB   ARG   5          2HB       ARG   5  -5.844  -3.300  -3.300
   34   1HG   ARG   5          1HG       ARG   5  -7.811  -4.083  -4.083
   35   2HG   ARG   5          2HG       ARG   5  -6.947  -5.609  -5.609
   36   1HD   ARG   5          1HD       ARG   5  -8.816  -4.457  -4.457
   37   2HD   ARG   5          2HD       ARG   5  -9.312  -5.661  -5.661
   38   1HH1  ARG   5          1HH2      ARG   5  -8.567  -7.497  -7.497
   39   2HH1  ARG   5          2HH2      ARG   5  -8.072  -9.101  -9.101
   40   1HH2  ARG   5          1HH1      ARG   5  -6.788  -7.978  -7.978
   41   2HH2  ARG   5          2HH1      ARG   5  -7.063  -9.420  -9.420
   42    HA   PRO   6           HA       PRO   6  -1.509  -5.095  -5.095
   43   1HB   PRO   6          1HB       PRO   6  -1.281  -5.903  -5.903
   44   2HB   PRO   6          2HB       PRO   6  -1.677  -7.009  -7.009
   45   1HG   PRO   6          1HG       PRO   6  -3.611  -5.598  -5.598
   46   2HG   PRO   6          2HG       PRO   6  -3.565  -7.336  -7.336
   47   1HD   PRO   6          1HD       PRO   6  -5.198  -5.540  -5.540
   48   2HD   PRO   6          2HD       PRO   6  -4.484  -6.934  -6.934
   49    H    SER   7           H        SER   7  -0.024  -4.097  -4.097
   50    HA   SER   7           HA       SER   7  -0.696  -1.309  -1.309
   51   1HB   SER   7          1HB       SER   7   1.222  -1.504  -1.504
   52   2HB   SER   7          2HB       SER   7   1.616  -1.935  -1.935
   53    HG   SER   7           HG       SER   7   0.903  -3.829  -3.829
   54    H    GLN   8           H        GLN   8  -2.576  -1.147  -1.147
   55    HA   GLN   8           HA       GLN   8  -2.673  -2.470  -2.470
   56   1HB   GLN   8          1HB       GLN   8  -4.838  -1.069  -1.069
   57   2HB   GLN   8          2HB       GLN   8  -5.017  -1.864  -1.864
   58   1HG   GLN   8          1HG       GLN   8  -4.414  -4.034  -4.034
   59   2HG   GLN   8          2HG       GLN   8  -4.081  -3.266  -3.266
   60   1HE2  GLN   8          2HE2      GLN   8  -6.853  -3.170  -3.170
   61   2HE2  GLN   8          1HE2      GLN   8  -8.054  -3.429  -3.429
   62    H    THR   9           H        THR   9  -3.208   0.626   0.626
   63    HA   THR   9           HA       THR   9  -3.209   2.233   2.233
   64    HB   THR   9           HB       THR   9  -3.007   4.083   4.083
   65    HG1  THR   9           HG1      THR   9  -3.419   2.025   2.025
   66   1HG2  THR   9          3HG2      THR   9  -5.153   1.915   1.915
   67   2HG2  THR   9          1HG2      THR   9  -5.299   3.487   3.487
   68   3HG2  THR   9          2HG2      THR   9  -5.179   3.382   3.382
   69    H    TRP  10           H        TRP  10  -0.954   1.870   1.870
   70    HA   TRP  10           HA       TRP  10   1.327   2.999   2.999
   71   1HB   TRP  10          1HB       TRP  10   0.898   2.805   2.805
   72   2HB   TRP  10          2HB       TRP  10   1.347   1.112   1.112
   73    HD1  TRP  10           HD1      TRP  10   3.962   0.887   0.887
   74    HE1  TRP  10           HE1      TRP  10   6.078   2.329   2.329
   75    HE3  TRP  10           HE3      TRP  10   1.862   4.790   4.790
   76    HZ2  TRP  10           HZ2      TRP  10   6.725   4.845   4.845
   77    HZ3  TRP  10           HZ3      TRP  10   3.257   6.705   6.705
   78    HH2  TRP  10           HH2      TRP  10   5.709   6.727   6.727
   79    H    SER  11           H        SER  11   0.669   1.615   1.615
   80    HA   SER  11           HA       SER  11   1.504  -1.178  -1.178
   81   1HB   SER  11          1HB       SER  11   0.805   0.754   0.754
   82   2HB   SER  11          2HB       SER  11   1.388  -0.887  -0.887
   83    HG   SER  11           HG       SER  11  -0.912  -0.306  -0.306
   84    H    GLY  12           H        GLY  12   3.542  -0.647  -0.647
   85   1HA   GLY  12          1HA       GLY  12   5.720  -1.118  -1.118
   86   2HA   GLY  12          2HA       GLY  12   5.762   0.560   0.560
   87    H    ASN  13           H        ASN  13   7.752  -0.008  -0.008
   88    HA   ASN  13           HA       ASN  13   7.614  -1.642  -1.642
   89   1HB   ASN  13          1HB       ASN  13   9.589  -1.837  -1.837
   90   2HB   ASN  13          2HB       ASN  13   9.968  -0.135  -0.135
   91   1HD2  ASN  13          2HD2      ASN  13  10.531   0.484   0.484
   92   2HD2  ASN  13          1HD2      ASN  13  11.268  -0.781  -0.781
   93    H    CYS  14           H        CYS  14   7.949  -0.593  -0.593
   94    HA   CYS  14           HA       CYS  14   6.789   1.909   1.909
   95   1HB   CYS  14          1HB       CYS  14   7.213   0.064   0.064
   96   2HB   CYS  14          2HB       CYS  14   8.935   0.515   0.515
   97    H    GLY  15           H        GLY  15   7.690   3.884   3.884
   98   1HA   GLY  15          1HA       GLY  15  10.511   4.511   4.511
   99   2HA   GLY  15          2HA       GLY  15   9.154   5.614   5.614
  100    H    ASN  16           H        ASN  16   7.709   5.657   5.657
  101    HA   ASN  16           HA       ASN  16   9.290   5.604   5.604
  102   1HB   ASN  16          1HB       ASN  16   9.524   7.938   7.938
  103   2HB   ASN  16          2HB       ASN  16   7.775   8.150   8.150
  104   1HD2  ASN  16          2HD2      ASN  16  10.005   9.616   9.616
  105   2HD2  ASN  16          1HD2      ASN  16   9.778   9.337   9.337
  106    H    THR  17           H        THR  17   8.074   4.656   4.656
  107    HA   THR  17           HA       THR  17   5.440   3.807   3.807
  108    HB   THR  17           HB       THR  17   7.091   2.687   2.687
  109    HG1  THR  17           HG1      THR  17   4.540   3.140   3.140
  110   1HG2  THR  17          3HG2      THR  17   7.772   4.632   4.632
  111   2HG2  THR  17          1HG2      THR  17   6.156   4.646   4.646
  112   3HG2  THR  17          2HG2      THR  17   7.218   3.245   3.245
  113    H    ALA  18           H        ALA  18   6.721   6.716   6.716
  114    HA   ALA  18           HA       ALA  18   4.231   7.639   7.639
  115   1HB   ALA  18          1HB       ALA  18   6.483   8.488   8.488
  116   2HB   ALA  18          2HB       ALA  18   6.662   9.239   9.239
  117   3HB   ALA  18          3HB       ALA  18   5.386   9.789   9.789
  118    H    HIS  19           H        HIS  19   5.348   7.460   7.460
  119    HA   HIS  19           HA       HIS  19   3.245   9.361   9.361
  120   1HB   HIS  19          1HB       HIS  19   5.473   9.313   9.313
  121   2HB   HIS  19          2HB       HIS  19   5.090   7.693   7.693
  122    HD1  HIS  19           HD1      HIS  19   5.437   9.122   9.122
  123    HD2  HIS  19           HD2      HIS  19   1.913   9.797   9.797
  124    HE1  HIS  19           HE1      HIS  19   3.718  10.173  10.173
  125    H    CYS  20           H        CYS  20   4.209   5.892   5.892
  126    HA   CYS  20           HA       CYS  20   2.093   4.720   4.720
  127   1HB   CYS  20          1HB       CYS  20   3.844   3.330   3.330
  128   2HB   CYS  20          2HB       CYS  20   3.393   3.816   3.816
  129    H    ASP  21           H        ASP  21   2.148   5.667   5.667
  130    HA   ASP  21           HA       ASP  21  -0.419   4.807   4.807
  131   1HB   ASP  21          1HB       ASP  21   0.770   5.441   5.441
  132   2HB   ASP  21          2HB       ASP  21   1.636   6.719   6.719
  133    H    LYS  22           H        LYS  22   0.614   7.860   7.860
  134    HA   LYS  22           HA       LYS  22  -2.014   9.093   9.093
  135   1HB   LYS  22          1HB       LYS  22   0.291  10.096  10.096
  136   2HB   LYS  22          2HB       LYS  22  -1.152  10.987  10.987
  137   1HG   LYS  22          1HG       LYS  22  -0.521  10.292  10.292
  138   2HG   LYS  22          2HG       LYS  22   1.012   9.716   9.716
  139   1HD   LYS  22          1HD       LYS  22   1.748  11.912  11.912
  140   2HD   LYS  22          2HD       LYS  22   0.149  12.614  12.614
  141   1HE   LYS  22          1HE       LYS  22   1.909  12.880  12.880
  142   2HE   LYS  22          2HE       LYS  22   0.294  12.328  12.328
  143   1HZ   LYS  22          1HZ       LYS  22   1.139  10.044  10.044
  144   2HZ   LYS  22          2HZ       LYS  22   2.689  10.632  10.632
  145    H    GLN  23           H        GLN  23  -0.159   7.521   7.521
  146    HA   GLN  23           HA       GLN  23  -2.215   7.924   7.924
  147   1HB   GLN  23          1HB       GLN  23  -0.430   5.518   5.518
  148   2HB   GLN  23          2HB       GLN  23  -1.390   6.287   6.287
  149   1HG   GLN  23          1HG       GLN  23  -0.007   8.432   8.432
  150   2HG   GLN  23          2HG       GLN  23   1.114   7.307   7.307
  151   1HE2  GLN  23          2HE2      GLN  23   0.113   5.352   5.352
  152   2HE2  GLN  23          1HE2      GLN  23   1.128   5.929   5.929
  153    H    CYS  24           H        CYS  24  -1.687   5.258   5.258
  154    HA   CYS  24           HA       CYS  24  -3.955   3.736   3.736
  155   1HB   CYS  24          1HB       CYS  24  -2.432   4.117   4.117
  156   2HB   CYS  24          2HB       CYS  24  -3.818   3.039   3.039
  157    H    GLN  25           H        GLN  25  -3.747   6.579   6.579
  158    HA   GLN  25           HA       GLN  25  -6.512   6.377   6.377
  159   1HB   GLN  25          1HB       GLN  25  -4.504   8.659   8.659
  160   2HB   GLN  25          2HB       GLN  25  -6.167   8.825   8.825
  161   1HG   GLN  25          1HG       GLN  25  -5.836   7.085   7.085
  162   2HG   GLN  25          2HG       GLN  25  -4.204   6.773   6.773
  163   1HE2  GLN  25          2HE2      GLN  25  -6.299   9.395   9.395
  164   2HE2  GLN  25          1HE2      GLN  25  -4.998  10.232  10.232
  165    H    ASP  26           H        ASP  26  -4.825   8.356   8.356
  166    HA   ASP  26           HA       ASP  26  -7.217   9.799   9.799
  167   1HB   ASP  26          1HB       ASP  26  -4.477   9.600   9.600
  168   2HB   ASP  26          2HB       ASP  26  -5.767  10.671  10.671
  169    H    TRP  27           H        TRP  27  -5.173   7.406   7.406
  170    HA   TRP  27           HA       TRP  27  -6.916   7.423   7.423
  171   1HB   TRP  27          1HB       TRP  27  -4.546   5.615   5.615
  172   2HB   TRP  27          2HB       TRP  27  -5.477   5.590   5.590
  173    HD1  TRP  27           HD1      TRP  27  -3.873   8.713   8.713
  174    HE1  TRP  27           HE1      TRP  27  -2.072   9.559   9.559
  175    HE3  TRP  27           HE3      TRP  27  -4.537   5.336   5.336
  176    HZ2  TRP  27           HZ2      TRP  27  -0.830   8.627   8.627
  177    HZ3  TRP  27           HZ3      TRP  27  -2.933   5.201   5.201
  178    HH2  TRP  27           HH2      TRP  27  -1.024   6.719   6.719
  179    H    GLU  28           H        GLU  28  -5.808   4.854   4.854
  180    HA   GLU  28           HA       GLU  28  -7.587   2.996   2.996
  181   1HB   GLU  28          1HB       GLU  28  -5.181   2.725   2.725
  182   2HB   GLU  28          2HB       GLU  28  -6.170   2.167   2.167
  183   1HG   GLU  28          1HG       GLU  28  -7.083   0.367   0.367
  184   2HG   GLU  28          2HG       GLU  28  -6.455   1.098   1.098
  185    H    LYS  29           H        LYS  29  -7.419   4.020   4.020
  186    HA   LYS  29           HA       LYS  29  -8.840   5.508   5.508
  187   1HB   LYS  29          1HB       LYS  29 -11.129   3.911   3.911
  188   2HB   LYS  29          2HB       LYS  29 -11.226   5.184   5.184
  189   1HG   LYS  29          1HG       LYS  29 -10.559   6.897   6.897
  190   2HG   LYS  29          2HG       LYS  29  -9.559   5.865   5.865
  191   1HD   LYS  29          1HD       LYS  29 -11.498   4.953   4.953
  192   2HD   LYS  29          2HD       LYS  29 -12.603   5.800   5.800
  193   1HE   LYS  29          1HE       LYS  29 -12.345   6.907   6.907
  194   2HE   LYS  29          2HE       LYS  29 -11.979   7.970   7.970
  195   1HZ   LYS  29          1HZ       LYS  29  -9.916   6.507   6.507
  196   2HZ   LYS  29          2HZ       LYS  29 -10.384   8.089   8.089
  197    H    ALA  30           H        ALA  30  -7.354   4.256   4.256
  198    HA   ALA  30           HA       ALA  30  -8.783   2.449   2.449
  199   1HB   ALA  30          1HB       ALA  30  -5.888   2.804   2.804
  200   2HB   ALA  30          2HB       ALA  30  -6.383   1.717   1.717
  201   3HB   ALA  30          3HB       ALA  30  -6.966   1.432   1.432
  202    H    SER  31           H        SER  31  -7.748   2.458   2.458
  203    HA   SER  31           HA       SER  31  -7.923   5.084   5.084
  204   1HB   SER  31          1HB       SER  31  -6.955   2.403   2.403
  205   2HB   SER  31          2HB       SER  31  -7.156   3.853   3.853
  206    HG   SER  31           HG       SER  31  -9.222   2.502   2.502
  207    H    HIS  32           H        HIS  32  -5.288   2.852   2.852
  208    HA   HIS  32           HA       HIS  32  -3.561   5.063   5.063
  209   1HB   HIS  32          1HB       HIS  32  -1.833   4.728   4.728
  210   2HB   HIS  32          2HB       HIS  32  -3.258   4.612   4.612
  211    HD1  HIS  32           HD1      HIS  32  -0.041   2.944   2.944
  212    HD2  HIS  32           HD2      HIS  32  -3.970   1.734   1.734
  213    HE1  HIS  32           HE1      HIS  32   0.086   0.598   0.598
  214    H    GLY  33           H        GLY  33  -1.226   4.005   4.005
  215   1HA   GLY  33          1HA       GLY  33  -1.436   1.397   1.397
  216   2HA   GLY  33          2HA       GLY  33  -0.678   2.686   2.686
  217    H    ALA  34           H        ALA  34   0.739   0.417   0.417
  218    HA   ALA  34           HA       ALA  34   3.002   1.519   1.519
  219   1HB   ALA  34          1HB       ALA  34   1.585  -0.914  -0.914
  220   2HB   ALA  34          2HB       ALA  34   3.223  -0.383  -0.383
  221   3HB   ALA  34          3HB       ALA  34   1.834   0.660   0.660
  222    H    CYS  35           H        CYS  35   4.852   0.803   0.803
  223    HA   CYS  35           HA       CYS  35   4.591  -1.029  -1.029
  224   1HB   CYS  35          1HB       CYS  35   6.902   0.509   0.509
  225   2HB   CYS  35          2HB       CYS  35   7.025  -0.552  -0.552
  226    H    HIS  36           H        HIS  36   5.459  -3.150  -3.150
  227    HA   HIS  36           HA       HIS  36   7.113  -4.211  -4.211
  228   1HB   HIS  36          1HB       HIS  36   5.012  -5.973  -5.973
  229   2HB   HIS  36          2HB       HIS  36   5.847  -6.131  -6.131
  230    HD1  HIS  36           HD1      HIS  36   5.186  -3.825  -3.825
  231    HD2  HIS  36           HD2      HIS  36   2.539  -5.125  -5.125
  232    HE1  HIS  36           HE1      HIS  36   2.828  -3.107  -3.107
  233    H    LYS  37           H        LYS  37   8.631  -5.749  -5.749
  234    HA   LYS  37           HA       LYS  37   9.095  -5.931  -5.931
  235   1HB   LYS  37          1HB       LYS  37  10.854  -5.440  -5.440
  236   2HB   LYS  37          2HB       LYS  37  10.735  -7.018  -7.018
  237   1HG   LYS  37          1HG       LYS  37  11.039  -7.789  -7.789
  238   2HG   LYS  37          2HG       LYS  37  11.591  -6.171  -6.171
  239   1HD   LYS  37          1HD       LYS  37  12.885  -7.685  -7.685
  240   2HD   LYS  37          2HD       LYS  37  13.174  -8.304  -8.304
  241   1HE   LYS  37          1HE       LYS  37  13.797  -5.778  -5.778
  242   2HE   LYS  37          2HE       LYS  37  14.027  -5.674  -5.674
  243   1HZ   LYS  37          1HZ       LYS  37  15.242  -7.974  -7.974
  244   2HZ   LYS  37          2HZ       LYS  37  15.805  -6.537  -6.537
  245    H    ARG  38           H        ARG  38   8.274  -7.468  -7.468
  246    HA   ARG  38           HA       ARG  38   7.781 -10.211 -10.211
  247   1HB   ARG  38          1HB       ARG  38   5.741  -8.715  -8.715
  248   2HB   ARG  38          2HB       ARG  38   5.939  -8.457  -8.457
  249   1HG   ARG  38          1HG       ARG  38   4.225 -10.034 -10.034
  250   2HG   ARG  38          2HG       ARG  38   5.565 -10.893 -10.893
  251   1HD   ARG  38          1HD       ARG  38   5.249 -10.841 -10.841
  252   2HD   ARG  38          2HD       ARG  38   4.199 -11.898 -11.898
  253   1HH1  ARG  38          1HH2      ARG  38   5.314 -12.433 -12.433
  254   2HH1  ARG  38          2HH2      ARG  38   6.252 -13.761 -13.761
  255   1HH2  ARG  38          1HH1      ARG  38   7.795 -14.362 -14.362
  256   2HH2  ARG  38          2HH1      ARG  38   7.727 -14.908 -14.908
  257    H    GLU  39           H        GLU  39   8.730 -11.669 -11.669
  258    HA   GLU  39           HA       GLU  39  10.142 -12.360 -12.360
  259   1HB   GLU  39          1HB       GLU  39   8.258 -10.961 -10.961
  260   2HB   GLU  39          2HB       GLU  39   9.257 -12.395 -12.395
  261   1HG   GLU  39          1HG       GLU  39   6.738 -12.147 -12.147
  262   2HG   GLU  39          2HG       GLU  39   6.998 -13.148 -13.148
  263    H    ASN  40           H        ASN  40  11.108 -10.203 -10.203
  264    HA   ASN  40           HA       ASN  40  12.537  -8.530  -8.530
  265   1HB   ASN  40          1HB       ASN  40  13.679 -10.313 -10.313
  266   2HB   ASN  40          2HB       ASN  40  13.236  -9.289  -9.289
  267   1HD2  ASN  40          2HD2      ASN  40  15.356  -8.547  -8.547
  268   2HD2  ASN  40          1HD2      ASN  40  16.377  -7.631  -7.631
  269    H    HIS  41           H        HIS  41   9.774  -7.993  -7.993
  270    HA   HIS  41           HA       HIS  41  10.528  -5.378  -5.378
  271   1HB   HIS  41          1HB       HIS  41   8.199  -7.215  -7.215
  272   2HB   HIS  41          2HB       HIS  41   8.303  -5.564  -5.564
  273    HD1  HIS  41           HD1      HIS  41  10.781  -5.102  -5.102
  274    HD2  HIS  41           HD2      HIS  41   9.340  -9.048  -9.048
  275    HE1  HIS  41           HE1      HIS  41  12.039  -6.526  -6.526
  276    H    TRP  42           H        TRP  42   9.935  -3.669  -3.669
  277    HA   TRP  42           HA       TRP  42   8.394  -4.072  -4.072
  278   1HB   TRP  42          1HB       TRP  42   9.814  -1.720  -1.720
  279   2HB   TRP  42          2HB       TRP  42   8.748  -1.613  -1.613
  280    HD1  TRP  42           HD1      TRP  42  12.030  -3.282  -3.282
  281    HE1  TRP  42           HE1      TRP  42  13.341  -3.774  -3.774
  282    HE3  TRP  42           HE3      TRP  42   8.397  -2.242  -2.242
  283    HZ2  TRP  42           HZ2      TRP  42  12.764  -3.935  -3.935
  284    HZ3  TRP  42           HZ3      TRP  42   8.796  -2.450  -2.450
  285    HH2  TRP  42           HH2      TRP  42  10.949  -3.389  -3.389
  286    H    LYS  43           H        LYS  43   6.215  -4.397  -4.397
  287    HA   LYS  43           HA       LYS  43   4.787  -2.794  -2.794
  288   1HB   LYS  43          1HB       LYS  43   3.662  -5.000  -5.000
  289   2HB   LYS  43          2HB       LYS  43   3.096  -4.429  -4.429
  290   1HG   LYS  43          1HG       LYS  43   5.547  -5.995  -5.995
  291   2HG   LYS  43          2HG       LYS  43   4.266  -6.586  -6.586
  292   1HD   LYS  43          1HD       LYS  43   6.212  -4.477  -4.477
  293   2HD   LYS  43          2HD       LYS  43   6.160  -6.194  -6.194
  294   1HE   LYS  43          1HE       LYS  43   5.210  -5.264  -5.264
  295   2HE   LYS  43          2HE       LYS  43   3.819  -5.864  -5.864
  296   1HZ   LYS  43          1HZ       LYS  43   4.379  -3.288  -3.288
  297   2HZ   LYS  43          2HZ       LYS  43   2.993  -3.841  -3.841
  298    H    CYS  44           H        CYS  44   3.664  -1.127  -1.127
  299    HA   CYS  44           HA       CYS  44   3.132  -0.231  -0.231
  300   1HB   CYS  44          1HB       CYS  44   3.515   1.398   1.398
  301   2HB   CYS  44          2HB       CYS  44   2.356   0.658   0.658
  302    H    PHE  45           H        PHE  45   1.742  -1.636  -1.636
  303    HA   PHE  45           HA       PHE  45  -0.752  -2.558  -2.558
  304   1HB   PHE  45          1HB       PHE  45   0.715  -3.333  -3.333
  305   2HB   PHE  45          2HB       PHE  45  -0.963  -3.769  -3.769
  306    HD1  PHE  45           HD2      PHE  45   1.144  -3.868  -3.868
  307    HD2  PHE  45           HD1      PHE  45  -0.212  -6.104  -6.104
  308    HE1  PHE  45           HE2      PHE  45   1.485  -5.986  -5.986
  309    HE2  PHE  45           HE1      PHE  45   0.200  -8.218  -8.218
  310    HZ   PHE  45           HZ       PHE  45   1.031  -8.159  -8.159
  311    H    CYS  46           H        CYS  46  -2.769  -2.132  -2.132
  312    HA   CYS  46           HA       CYS  46  -2.937   0.379   0.379
  313   1HB   CYS  46          1HB       CYS  46  -4.812  -0.717  -0.717
  314   2HB   CYS  46          2HB       CYS  46  -4.919   0.828   0.828
  315    H    TYR  47           H        TYR  47  -4.638   0.547   0.547
  316    HA   TYR  47           HA       TYR  47  -5.660  -2.111  -2.111
  317   1HB   TYR  47          1HB       TYR  47  -4.277   0.235   0.235
  318   2HB   TYR  47          2HB       TYR  47  -5.085  -1.014  -1.014
  319    HD1  TYR  47           HD2      TYR  47  -4.225  -3.335  -3.335
  320    HD2  TYR  47           HD1      TYR  47  -2.145  -0.218  -0.218
  321    HE1  TYR  47           HE2      TYR  47  -2.233  -4.769  -4.769
  322    HE2  TYR  47           HE1      TYR  47  -0.225  -1.747  -1.747
  323    HH   TYR  47           HH       TYR  47  -0.248  -5.115  -5.115
  324    H    PHE  48           H        PHE  48  -7.873  -1.926  -1.926
  325    HA   PHE  48           HA       PHE  48  -9.033   0.633   0.633
  326   1HB   PHE  48          1HB       PHE  48  -9.884  -2.203  -2.203
  327   2HB   PHE  48          2HB       PHE  48 -11.050  -0.910  -0.910
  328    HD1  PHE  48           HD1      PHE  48  -7.833  -1.980  -1.980
  329    HD2  PHE  48           HD2      PHE  48 -11.241   0.676   0.676
  330    HE1  PHE  48           HE1      PHE  48  -7.167  -1.223  -1.223
  331    HE2  PHE  48           HE2      PHE  48 -10.585   1.374   1.374
  332    HZ   PHE  48           HZ       PHE  48  -8.558   0.434   0.434
  333    H    ASN  49           H        ASN  49 -10.641  -2.029  -2.029
  334    HA   ASN  49           HA       ASN  49 -12.117   0.100   0.100
  335   1HB   ASN  49          1HB       ASN  49 -12.494  -2.922  -2.922
  336   2HB   ASN  49          2HB       ASN  49 -13.569  -1.715  -1.715
  337   1HD2  ASN  49          2HD2      ASN  49 -12.408  -3.122  -3.122
  338   2HD2  ASN  49          1HD2      ASN  49 -13.698  -2.499  -2.499
  339    H    CYS  50           H        CYS  50  -9.607   0.236   0.236
  340    HA   CYS  50           HA       CYS  50  -8.770  -1.600  -1.600
  341   1HB   CYS  50          1HB       CYS  50  -7.278  -0.501  -0.501
  342   2HB   CYS  50          2HB       CYS  50  -7.566   1.002   1.002

  Start of MODEL   19
    1   1H    LEU   1          2H        LEU   1 -11.807  -4.769  -4.769
    2   2H    LEU   1          3H        LEU   1 -12.026  -6.199  -6.199
    3   3H    LEU   1          1H        LEU   1 -12.371  -6.143  -6.143
    4    HA   LEU   1           HA       LEU   1 -10.076  -5.684  -5.684
    5   1HB   LEU   1          1HB       LEU   1  -9.170  -7.952  -7.952
    6   2HB   LEU   1          2HB       LEU   1 -10.720  -7.911  -7.911
    7    HG   LEU   1           HG       LEU   1 -11.904  -8.428  -8.428
    8   1HD1  LEU   1          1HD1      LEU   1  -9.077  -8.603  -8.603
    9   2HD1  LEU   1          2HD1      LEU   1 -10.482  -9.400  -9.400
   10   3HD1  LEU   1          3HD1      LEU   1 -10.446  -7.648  -7.648
   11   1HD2  LEU   1          1HD2      LEU   1 -11.222 -10.182 -10.182
   12   2HD2  LEU   1          2HD2      LEU   1 -11.195 -10.772 -10.772
   13   3HD2  LEU   1          3HD2      LEU   1  -9.674 -10.358 -10.358
   14    H    CYS   2           H        CYS   2  -7.775  -5.944  -5.944
   15    HA   CYS   2           HA       CYS   2  -7.568  -4.095  -4.095
   16   1HB   CYS   2          1HB       CYS   2  -5.246  -5.514  -5.514
   17   2HB   CYS   2          2HB       CYS   2  -5.318  -3.924  -3.924
   18    H    ASN   3           H        ASN   3  -8.306  -4.865  -4.865
   19    HA   ASN   3           HA       ASN   3  -7.275  -7.212  -7.212
   20   1HB   ASN   3          1HB       ASN   3  -8.402  -4.738  -4.738
   21   2HB   ASN   3          2HB       ASN   3  -8.460  -6.364  -6.364
   22   1HD2  ASN   3          2HD2      ASN   3 -10.041  -7.870  -7.870
   23   2HD2  ASN   3          1HD2      ASN   3 -11.374  -7.189  -7.189
   24    H    GLU   4           H        GLU   4  -4.942  -6.805  -6.805
   25    HA   GLU   4           HA       GLU   4  -3.553  -4.601  -4.601
   26   1HB   GLU   4          1HB       GLU   4  -2.867  -6.050  -6.050
   27   2HB   GLU   4          2HB       GLU   4  -2.506  -7.368  -7.368
   28   1HG   GLU   4          1HG       GLU   4  -1.375  -4.928  -4.928
   29   2HG   GLU   4          2HG       GLU   4  -0.955  -5.020  -5.020
   30    H    ARG   5           H        ARG   5  -4.216  -4.449  -4.449
   31    HA   ARG   5           HA       ARG   5  -3.795  -6.728  -6.728
   32   1HB   ARG   5          1HB       ARG   5  -5.956  -5.399  -5.399
   33   2HB   ARG   5          2HB       ARG   5  -5.162  -4.118  -4.118
   34   1HG   ARG   5          1HG       ARG   5  -5.142  -5.500  -5.500
   35   2HG   ARG   5          2HG       ARG   5  -5.487  -6.964  -6.964
   36   1HD   ARG   5          1HD       ARG   5  -7.469  -6.261  -6.261
   37   2HD   ARG   5          2HD       ARG   5  -7.713  -6.209  -6.209
   38   1HH1  ARG   5          1HH1      ARG   5  -9.710  -5.703  -5.703
   39   2HH1  ARG   5          2HH1      ARG   5 -10.840  -4.391  -4.391
   40   1HH2  ARG   5          1HH2      ARG   5  -8.261  -1.931  -1.931
   41   2HH2  ARG   5          2HH2      ARG   5  -9.983  -2.130  -2.130
   42    HA   PRO   6           HA       PRO   6  -0.077  -4.743  -4.743
   43   1HB   PRO   6          1HB       PRO   6   0.406  -5.998  -5.998
   44   2HB   PRO   6          2HB       PRO   6   0.485  -6.847  -6.847
   45   1HG   PRO   6          1HG       PRO   6  -1.843  -6.757  -6.757
   46   2HG   PRO   6          2HG       PRO   6  -1.116  -8.201  -8.201
   47   1HD   PRO   6          1HD       PRO   6  -3.341  -6.988  -6.988
   48   2HD   PRO   6          2HD       PRO   6  -2.121  -7.678  -7.678
   49    H    SER   7           H        SER   7   0.841  -3.404  -3.404
   50    HA   SER   7           HA       SER   7  -0.179  -1.174  -1.174
   51   1HB   SER   7          1HB       SER   7   1.278  -1.224  -1.224
   52   2HB   SER   7          2HB       SER   7   2.092  -1.606  -1.606
   53    HG   SER   7           HG       SER   7   0.973  -3.520  -3.520
   54    H    GLN   8           H        GLN   8  -2.230  -0.845  -0.845
   55    HA   GLN   8           HA       GLN   8  -3.245  -1.859  -1.859
   56   1HB   GLN   8          1HB       GLN   8  -4.388  -0.038  -0.038
   57   2HB   GLN   8          2HB       GLN   8  -5.201  -0.439  -0.439
   58   1HG   GLN   8          1HG       GLN   8  -5.151  -2.846  -2.846
   59   2HG   GLN   8          2HG       GLN   8  -4.313  -2.426  -2.426
   60   1HE2  GLN   8          2HE2      GLN   8  -7.226  -1.182  -1.182
   61   2HE2  GLN   8          1HE2      GLN   8  -8.193  -1.000  -1.000
   62    H    THR   9           H        THR   9  -3.667   1.498   1.498
   63    HA   THR   9           HA       THR   9  -3.144   2.542   2.542
   64    HB   THR   9           HB       THR   9  -3.392   4.683   4.683
   65    HG1  THR   9           HG1      THR   9  -4.487   4.085   4.085
   66   1HG2  THR   9          3HG2      THR   9  -5.597   2.606   2.606
   67   2HG2  THR   9          1HG2      THR   9  -5.879   4.307   4.307
   68   3HG2  THR   9          2HG2      THR   9  -5.131   3.880   3.880
   69    H    TRP  10           H        TRP  10  -1.007   1.734   1.734
   70    HA   TRP  10           HA       TRP  10   1.046   3.680   3.680
   71   1HB   TRP  10          1HB       TRP  10   0.933   2.334   2.334
   72   2HB   TRP  10          2HB       TRP  10   1.321   0.888   0.888
   73    HD1  TRP  10           HD1      TRP  10   3.845   0.717   0.717
   74    HE1  TRP  10           HE1      TRP  10   6.013   2.091   2.091
   75    HE3  TRP  10           HE3      TRP  10   1.838   4.532   4.532
   76    HZ2  TRP  10           HZ2      TRP  10   6.696   4.609   4.609
   77    HZ3  TRP  10           HZ3      TRP  10   3.174   6.526   6.526
   78    HH2  TRP  10           HH2      TRP  10   5.687   6.495   6.495
   79    H    SER  11           H        SER  11   0.039   0.499   0.499
   80    HA   SER  11           HA       SER  11   1.029  -0.931  -0.931
   81   1HB   SER  11          1HB       SER  11   0.699   1.722   1.722
   82   2HB   SER  11          2HB       SER  11   0.918   0.165   0.165
   83    HG   SER  11           HG       SER  11  -1.130   0.455   0.455
   84    H    GLY  12           H        GLY  12   3.204  -0.884  -0.884
   85   1HA   GLY  12          1HA       GLY  12   5.264  -1.182  -1.182
   86   2HA   GLY  12          2HA       GLY  12   5.429   0.462   0.462
   87    H    ASN  13           H        ASN  13   7.461  -0.227  -0.227
   88    HA   ASN  13           HA       ASN  13   7.383  -1.877  -1.877
   89   1HB   ASN  13          1HB       ASN  13   9.282  -2.198  -2.198
   90   2HB   ASN  13          2HB       ASN  13   9.740  -0.503  -0.503
   91   1HD2  ASN  13          2HD2      ASN  13  10.375   0.194   0.194
   92   2HD2  ASN  13          1HD2      ASN  13  11.160  -1.055  -1.055
   93    H    CYS  14           H        CYS  14   7.952  -0.804  -0.804
   94    HA   CYS  14           HA       CYS  14   6.773   1.720   1.720
   95   1HB   CYS  14          1HB       CYS  14   7.142   0.007   0.007
   96   2HB   CYS  14          2HB       CYS  14   8.896   0.212   0.212
   97    H    GLY  15           H        GLY  15   7.714   3.669   3.669
   98   1HA   GLY  15          1HA       GLY  15  10.526   4.274   4.274
   99   2HA   GLY  15          2HA       GLY  15   9.197   5.332   5.332
  100    H    ASN  16           H        ASN  16   7.584   5.452   5.452
  101    HA   ASN  16           HA       ASN  16   9.119   5.909   5.909
  102   1HB   ASN  16          1HB       ASN  16   9.221   8.057   8.057
  103   2HB   ASN  16          2HB       ASN  16   7.460   8.194   8.194
  104   1HD2  ASN  16          2HD2      ASN  16   9.848   9.806   9.806
  105   2HD2  ASN  16          1HD2      ASN  16   9.473   9.893   9.893
  106    H    THR  17           H        THR  17   7.972   5.187   5.187
  107    HA   THR  17           HA       THR  17   5.395   4.057   4.057
  108    HB   THR  17           HB       THR  17   7.136   3.186   3.186
  109    HG1  THR  17           HG1      THR  17   4.656   3.687   3.687
  110   1HG2  THR  17          2HG2      THR  17   7.837   5.296   5.296
  111   2HG2  THR  17          3HG2      THR  17   6.266   5.360   5.360
  112   3HG2  THR  17          1HG2      THR  17   7.383   4.021   4.021
  113    H    ALA  18           H        ALA  18   6.414   7.244   7.244
  114    HA   ALA  18           HA       ALA  18   3.888   8.024   8.024
  115   1HB   ALA  18          1HB       ALA  18   5.971   9.328   9.328
  116   2HB   ALA  18          2HB       ALA  18   5.982   9.717   9.717
  117   3HB   ALA  18          3HB       ALA  18   4.670  10.312  10.312
  118    H    HIS  19           H        HIS  19   5.285   8.171   8.171
  119    HA   HIS  19           HA       HIS  19   2.955   9.355   9.355
  120   1HB   HIS  19          1HB       HIS  19   5.235   9.438   9.438
  121   2HB   HIS  19          2HB       HIS  19   5.106   7.728   7.728
  122    HD1  HIS  19           HD1      HIS  19   5.488   8.642   8.642
  123    HD2  HIS  19           HD2      HIS  19   1.856   9.682   9.682
  124    HE1  HIS  19           HE1      HIS  19   3.797   9.171   9.171
  125    H    CYS  20           H        CYS  20   4.053   5.943   5.943
  126    HA   CYS  20           HA       CYS  20   1.962   4.610   4.610
  127   1HB   CYS  20          1HB       CYS  20   3.782   3.356   3.356
  128   2HB   CYS  20          2HB       CYS  20   3.269   3.903   3.903
  129    H    ASP  21           H        ASP  21   2.016   5.809   5.809
  130    HA   ASP  21           HA       ASP  21  -0.645   5.016   5.016
  131   1HB   ASP  21          1HB       ASP  21   0.913   5.629   5.629
  132   2HB   ASP  21          2HB       ASP  21   1.078   7.273   7.273
  133    H    LYS  22           H        LYS  22   0.662   8.190   8.190
  134    HA   LYS  22           HA       LYS  22  -1.754   9.606   9.606
  135   1HB   LYS  22          1HB       LYS  22   0.518   9.654   9.654
  136   2HB   LYS  22          2HB       LYS  22  -0.875  10.727  10.727
  137   1HG   LYS  22          1HG       LYS  22  -0.207  11.276  11.276
  138   2HG   LYS  22          2HG       LYS  22   1.272  10.417  10.417
  139   1HD   LYS  22          1HD       LYS  22   1.473  12.912  12.912
  140   2HD   LYS  22          2HD       LYS  22   1.923  12.045  12.045
  141   1HE   LYS  22          1HE       LYS  22   0.577  14.181  14.181
  142   2HE   LYS  22          2HE       LYS  22   0.002  12.762  12.762
  143   1HZ   LYS  22          1HZ       LYS  22  -1.770  14.030  14.030
  144   2HZ   LYS  22          2HZ       LYS  22  -1.705  12.442  12.442
  145    H    GLN  23           H        GLN  23  -0.280   7.572   7.572
  146    HA   GLN  23           HA       GLN  23  -2.351   7.789   7.789
  147   1HB   GLN  23          1HB       GLN  23  -0.677   5.355   5.355
  148   2HB   GLN  23          2HB       GLN  23  -1.659   5.839   5.839
  149   1HG   GLN  23          1HG       GLN  23   0.208   7.984   7.984
  150   2HG   GLN  23          2HG       GLN  23   1.038   6.499   6.499
  151   1HE2  GLN  23          2HE2      GLN  23  -0.291   5.507   5.507
  152   2HE2  GLN  23          1HE2      GLN  23  -0.232   6.682   6.682
  153    H    CYS  24           H        CYS  24  -1.948   5.185   5.185
  154    HA   CYS  24           HA       CYS  24  -4.286   3.795   3.795
  155   1HB   CYS  24          1HB       CYS  24  -2.849   4.041   4.041
  156   2HB   CYS  24          2HB       CYS  24  -4.102   2.845   2.845
  157    H    GLN  25           H        GLN  25  -3.956   6.536   6.536
  158    HA   GLN  25           HA       GLN  25  -6.764   6.302   6.302
  159   1HB   GLN  25          1HB       GLN  25  -4.708   8.487   8.487
  160   2HB   GLN  25          2HB       GLN  25  -6.310   8.376   8.376
  161   1HG   GLN  25          1HG       GLN  25  -5.708   6.238   6.238
  162   2HG   GLN  25          2HG       GLN  25  -4.104   6.292   6.292
  163   1HE2  GLN  25          2HE2      GLN  25  -5.517   6.736   6.736
  164   2HE2  GLN  25          1HE2      GLN  25  -4.524   8.027   8.027
  165    H    ASP  26           H        ASP  26  -4.889   8.199   8.199
  166    HA   ASP  26           HA       ASP  26  -6.956  10.233  10.233
  167   1HB   ASP  26          1HB       ASP  26  -4.258   9.851   9.851
  168   2HB   ASP  26          2HB       ASP  26  -5.344  11.196  11.196
  169    H    TRP  27           H        TRP  27  -5.218   7.884   7.884
  170    HA   TRP  27           HA       TRP  27  -6.945   8.336   8.336
  171   1HB   TRP  27          1HB       TRP  27  -4.777   6.241   6.241
  172   2HB   TRP  27          2HB       TRP  27  -5.702   6.302   6.302
  173    HD1  TRP  27           HD1      TRP  27  -3.912   9.199   9.199
  174    HE1  TRP  27           HE1      TRP  27  -2.061  10.120  10.120
  175    HE3  TRP  27           HE3      TRP  27  -4.634   6.144   6.144
  176    HZ2  TRP  27           HZ2      TRP  27  -0.947   9.478   9.478
  177    HZ3  TRP  27           HZ3      TRP  27  -3.061   6.171   6.171
  178    HH2  TRP  27           HH2      TRP  27  -1.226   7.827   7.827
  179    H    GLU  28           H        GLU  28  -6.189   5.602   5.602
  180    HA   GLU  28           HA       GLU  28  -8.759   4.256   4.256
  181   1HB   GLU  28          1HB       GLU  28  -6.134   3.393   3.393
  182   2HB   GLU  28          2HB       GLU  28  -7.259   2.873   2.873
  183   1HG   GLU  28          1HG       GLU  28  -7.635   2.367   2.367
  184   2HG   GLU  28          2HG       GLU  28  -6.801   1.264   1.264
  185    H    LYS  29           H        LYS  29  -8.908   3.392   3.392
  186    HA   LYS  29           HA       LYS  29  -9.438   5.702   5.702
  187   1HB   LYS  29          1HB       LYS  29 -11.714   4.037   4.037
  188   2HB   LYS  29          2HB       LYS  29 -11.946   4.974   4.974
  189   1HG   LYS  29          1HG       LYS  29 -11.252   6.204   6.204
  190   2HG   LYS  29          2HG       LYS  29 -12.860   6.041   6.041
  191   1HD   LYS  29          1HD       LYS  29 -12.643   7.623   7.623
  192   2HD   LYS  29          2HD       LYS  29 -10.923   7.374   7.374
  193   1HE   LYS  29          1HE       LYS  29 -12.064   8.713   8.713
  194   2HE   LYS  29          2HE       LYS  29 -11.543   9.592   9.592
  195   1HZ   LYS  29          1HZ       LYS  29  -9.736   7.721   7.721
  196   2HZ   LYS  29          2HZ       LYS  29  -9.871   9.331   9.331
  197    H    ALA  30           H        ALA  30  -7.672   4.079   4.079
  198    HA   ALA  30           HA       ALA  30  -8.557   1.784   1.784
  199   1HB   ALA  30          1HB       ALA  30  -6.456   1.807   1.807
  200   2HB   ALA  30          2HB       ALA  30  -5.832   3.097   3.097
  201   3HB   ALA  30          3HB       ALA  30  -6.148   1.483   1.483
  202    H    SER  31           H        SER  31  -7.876   1.669   1.669
  203    HA   SER  31           HA       SER  31  -8.344   3.971   3.971
  204   1HB   SER  31          1HB       SER  31  -6.777   1.415   1.415
  205   2HB   SER  31          2HB       SER  31  -7.222   2.579   2.579
  206    HG   SER  31           HG       SER  31  -9.151   1.248   1.248
  207    H    HIS  32           H        HIS  32  -5.434   2.341   2.341
  208    HA   HIS  32           HA       HIS  32  -4.040   4.801   4.801
  209   1HB   HIS  32          1HB       HIS  32  -2.307   4.601   4.601
  210   2HB   HIS  32          2HB       HIS  32  -3.718   4.200   4.200
  211    HD1  HIS  32           HD1      HIS  32  -0.303   3.041   3.041
  212    HD2  HIS  32           HD2      HIS  32  -4.015   1.291   1.291
  213    HE1  HIS  32           HE1      HIS  32   0.139   0.648   0.648
  214    H    GLY  33           H        GLY  33  -1.642   4.233   4.233
  215   1HA   GLY  33          1HA       GLY  33  -1.426   1.565   1.565
  216   2HA   GLY  33          2HA       GLY  33  -0.828   2.934   2.934
  217    H    ALA  34           H        ALA  34   0.844   0.855   0.855
  218    HA   ALA  34           HA       ALA  34   2.990   2.236   2.236
  219   1HB   ALA  34          1HB       ALA  34   1.836  -0.202  -0.202
  220   2HB   ALA  34          2HB       ALA  34   3.454   0.464   0.464
  221   3HB   ALA  34          3HB       ALA  34   2.015   1.435   1.435
  222    H    CYS  35           H        CYS  35   5.013   1.382   1.382
  223    HA   CYS  35           HA       CYS  35   4.751  -0.533  -0.533
  224   1HB   CYS  35          1HB       CYS  35   7.075   1.028   1.028
  225   2HB   CYS  35          2HB       CYS  35   7.216  -0.158  -0.158
  226    H    HIS  36           H        HIS  36   5.725  -2.641  -2.641
  227    HA   HIS  36           HA       HIS  36   7.521  -3.452  -3.452
  228   1HB   HIS  36          1HB       HIS  36   5.502  -5.543  -5.543
  229   2HB   HIS  36          2HB       HIS  36   6.464  -5.263  -5.263
  230    HD1  HIS  36           HD1      HIS  36   5.502  -2.692  -2.692
  231    HD2  HIS  36           HD2      HIS  36   3.052  -5.124  -5.124
  232    HE1  HIS  36           HE1      HIS  36   3.101  -2.286  -2.286
  233    H    LYS  37           H        LYS  37   8.611  -5.470  -5.470
  234    HA   LYS  37           HA       LYS  37   8.865  -6.041  -6.041
  235   1HB   LYS  37          1HB       LYS  37  10.767  -5.808  -5.808
  236   2HB   LYS  37          2HB       LYS  37  10.271  -7.192  -7.192
  237   1HG   LYS  37          1HG       LYS  37  10.393  -8.363  -8.363
  238   2HG   LYS  37          2HG       LYS  37  11.256  -6.954  -6.954
  239   1HD   LYS  37          1HD       LYS  37  12.241  -8.350  -8.350
  240   2HD   LYS  37          2HD       LYS  37  12.375  -9.245  -9.245
  241   1HE   LYS  37          1HE       LYS  37  13.499  -6.996  -6.996
  242   2HE   LYS  37          2HE       LYS  37  13.772  -6.713  -6.713
  243   1HZ   LYS  37          1HZ       LYS  37  14.470  -9.346  -9.346
  244   2HZ   LYS  37          2HZ       LYS  37  15.338  -8.122  -8.122
  245    H    ARG  38           H        ARG  38   7.951  -7.759  -7.759
  246    HA   ARG  38           HA       ARG  38   7.028 -10.090 -10.090
  247   1HB   ARG  38          1HB       ARG  38   5.148  -8.257  -8.257
  248   2HB   ARG  38          2HB       ARG  38   5.244  -8.621  -8.621
  249   1HG   ARG  38          1HG       ARG  38   3.569 -10.052 -10.052
  250   2HG   ARG  38          2HG       ARG  38   4.994 -11.096 -11.096
  251   1HD   ARG  38          1HD       ARG  38   3.854 -11.557 -11.557
  252   2HD   ARG  38          2HD       ARG  38   5.226 -10.594 -10.594
  253   1HH1  ARG  38          1HH2      ARG  38   5.615  -8.638  -8.638
  254   2HH1  ARG  38          2HH2      ARG  38   4.964  -7.769  -7.769
  255   1HH2  ARG  38          1HH1      ARG  38   1.551  -8.369  -8.369
  256   2HH2  ARG  38          2HH1      ARG  38   2.576  -7.433  -7.433
  257    H    GLU  39           H        GLU  39   7.440 -11.938 -11.938
  258    HA   GLU  39           HA       GLU  39   8.813 -13.038 -13.038
  259   1HB   GLU  39          1HB       GLU  39   7.160 -11.685 -11.685
  260   2HB   GLU  39          2HB       GLU  39   7.844 -13.317 -13.317
  261   1HG   GLU  39          1HG       GLU  39   5.465 -12.234 -12.234
  262   2HG   GLU  39          2HG       GLU  39   5.498 -13.560 -13.560
  263    H    ASN  40           H        ASN  40  10.167 -10.923 -10.923
  264    HA   ASN  40           HA       ASN  40  11.872  -9.553  -9.553
  265   1HB   ASN  40          1HB       ASN  40  12.620 -11.728 -11.728
  266   2HB   ASN  40          2HB       ASN  40  12.357 -10.838 -10.838
  267   1HD2  ASN  40          2HD2      ASN  40  14.578 -10.606 -10.606
  268   2HD2  ASN  40          1HD2      ASN  40  15.771  -9.761  -9.761
  269    H    HIS  41           H        HIS  41   9.236  -8.743  -8.743
  270    HA   HIS  41           HA       HIS  41  10.386  -6.517  -6.517
  271   1HB   HIS  41          1HB       HIS  41   7.723  -7.921  -7.921
  272   2HB   HIS  41          2HB       HIS  41   8.102  -6.445  -6.445
  273    HD1  HIS  41           HD1      HIS  41  10.501  -6.747  -6.747
  274    HD2  HIS  41           HD2      HIS  41   8.381 -10.197 -10.197
  275    HE1  HIS  41           HE1      HIS  41  11.354  -8.692  -8.692
  276    H    TRP  42           H        TRP  42  10.170  -4.538  -4.538
  277    HA   TRP  42           HA       TRP  42   8.652  -4.317  -4.317
  278   1HB   TRP  42          1HB       TRP  42  10.511  -2.508  -2.508
  279   2HB   TRP  42          2HB       TRP  42   9.485  -1.940  -1.940
  280    HD1  TRP  42           HD1      TRP  42  12.322  -4.404  -4.404
  281    HE1  TRP  42           HE1      TRP  42  13.503  -4.828  -4.828
  282    HE3  TRP  42           HE3      TRP  42   9.012  -2.104  -2.104
  283    HZ2  TRP  42           HZ2      TRP  42  12.917  -4.453  -4.453
  284    HZ3  TRP  42           HZ3      TRP  42   9.420  -1.960  -1.960
  285    HH2  TRP  42           HH2      TRP  42  11.348  -3.210  -3.210
  286    H    LYS  43           H        LYS  43   6.449  -4.231  -4.231
  287    HA   LYS  43           HA       LYS  43   5.364  -2.577  -2.577
  288   1HB   LYS  43          1HB       LYS  43   3.604  -4.204  -4.204
  289   2HB   LYS  43          2HB       LYS  43   3.429  -3.815  -3.815
  290   1HG   LYS  43          1HG       LYS  43   5.337  -5.751  -5.751
  291   2HG   LYS  43          2HG       LYS  43   3.999  -6.247  -6.247
  292   1HD   LYS  43          1HD       LYS  43   6.325  -4.783  -4.783
  293   2HD   LYS  43          2HD       LYS  43   6.021  -6.511  -6.511
  294   1HE   LYS  43          1HE       LYS  43   5.338  -5.802  -5.802
  295   2HE   LYS  43          2HE       LYS  43   3.864  -6.185  -6.185
  296   1HZ   LYS  43          1HZ       LYS  43   4.533  -3.867  -3.867
  297   2HZ   LYS  43          2HZ       LYS  43   3.140  -4.169  -4.169
  298    H    CYS  44           H        CYS  44   4.085  -0.831  -0.831
  299    HA   CYS  44           HA       CYS  44   3.600   0.056   0.056
  300   1HB   CYS  44          1HB       CYS  44   3.525   1.661   1.661
  301   2HB   CYS  44          2HB       CYS  44   2.490   0.712   0.712
  302    H    PHE  45           H        PHE  45   1.931  -0.780  -0.780
  303    HA   PHE  45           HA       PHE  45  -0.108  -2.543  -2.543
  304   1HB   PHE  45          1HB       PHE  45   1.401  -2.736  -2.736
  305   2HB   PHE  45          2HB       PHE  45  -0.205  -3.387  -3.387
  306    HD1  PHE  45           HD2      PHE  45   3.203  -3.624  -3.624
  307    HD2  PHE  45           HD1      PHE  45  -0.616  -5.526  -5.526
  308    HE1  PHE  45           HE2      PHE  45   4.171  -5.787  -5.787
  309    HE2  PHE  45           HE1      PHE  45   0.301  -7.645  -7.645
  310    HZ   PHE  45           HZ       PHE  45   2.690  -7.774  -7.774
  311    H    CYS  46           H        CYS  46  -2.189  -2.198  -2.198
  312    HA   CYS  46           HA       CYS  46  -2.766   0.295   0.295
  313   1HB   CYS  46          1HB       CYS  46  -4.313  -1.068  -1.068
  314   2HB   CYS  46          2HB       CYS  46  -4.796   0.386   0.386
  315    H    TYR  47           H        TYR  47  -4.476   0.206   0.206
  316    HA   TYR  47           HA       TYR  47  -5.187  -2.539  -2.539
  317   1HB   TYR  47          1HB       TYR  47  -4.331   0.094   0.094
  318   2HB   TYR  47          2HB       TYR  47  -4.996  -1.201  -1.201
  319    HD1  TYR  47           HD2      TYR  47  -2.098  -0.456  -0.456
  320    HD2  TYR  47           HD1      TYR  47  -3.604  -2.688  -2.688
  321    HE1  TYR  47           HE2      TYR  47   0.121  -1.484  -1.484
  322    HE2  TYR  47           HE1      TYR  47  -1.373  -3.624  -3.624
  323    HH   TYR  47           HH       TYR  47   0.747  -3.772  -3.772
  324    H    PHE  48           H        PHE  48  -7.453  -2.591  -2.591
  325    HA   PHE  48           HA       PHE  48  -8.865  -0.144  -0.144
  326   1HB   PHE  48          1HB       PHE  48  -9.591  -2.974  -2.974
  327   2HB   PHE  48          2HB       PHE  48 -10.640  -1.603  -1.603
  328    HD1  PHE  48           HD1      PHE  48 -10.161   0.300   0.300
  329    HD2  PHE  48           HD2      PHE  48  -7.576  -3.163  -3.163
  330    HE1  PHE  48           HE1      PHE  48  -8.744   1.289   1.289
  331    HE2  PHE  48           HE2      PHE  48  -6.213  -2.187  -2.187
  332    HZ   PHE  48           HZ       PHE  48  -6.736   0.063   0.063
  333    H    ASN  49           H        ASN  49 -10.300  -3.119  -3.119
  334    HA   ASN  49           HA       ASN  49 -11.951  -1.244  -1.244
  335   1HB   ASN  49          1HB       ASN  49 -12.077  -4.274  -4.274
  336   2HB   ASN  49          2HB       ASN  49 -13.253  -3.209  -3.209
  337   1HD2  ASN  49          2HD2      ASN  49 -11.985  -4.347  -4.347
  338   2HD2  ASN  49          1HD2      ASN  49 -13.247  -3.662  -3.662
  339    H    CYS  50           H        CYS  50  -9.389  -1.001  -1.001
  340    HA   CYS  50           HA       CYS  50  -8.663  -2.808  -2.808
  341   1HB   CYS  50          1HB       CYS  50  -7.060  -1.981  -1.981
  342   2HB   CYS  50          2HB       CYS  50  -7.215  -0.406  -0.406

  Start of MODEL   20
    1   1H    LEU   1          2H        LEU   1 -10.924  -3.618  -3.618
    2   2H    LEU   1          3H        LEU   1 -12.111  -4.168  -4.168
    3   3H    LEU   1          1H        LEU   1 -12.071  -4.730  -4.730
    4    HA   LEU   1           HA       LEU   1  -9.977  -5.772  -5.772
    5   1HB   LEU   1          1HB       LEU   1 -11.983  -7.090  -7.090
    6   2HB   LEU   1          2HB       LEU   1 -12.148  -6.531  -6.531
    7    HG   LEU   1           HG       LEU   1 -10.075  -7.724  -7.724
    8   1HD1  LEU   1          1HD1      LEU   1 -10.042  -8.635  -8.635
    9   2HD1  LEU   1          2HD1      LEU   1  -9.064  -9.340  -9.340
   10   3HD1  LEU   1          3HD1      LEU   1  -8.793  -7.665  -7.665
   11   1HD2  LEU   1          1HD2      LEU   1 -12.260  -8.861  -8.861
   12   2HD2  LEU   1          2HD2      LEU   1 -10.955 -10.001 -10.001
   13   3HD2  LEU   1          3HD2      LEU   1 -12.059  -9.468  -9.468
   14    H    CYS   2           H        CYS   2  -8.110  -5.074  -5.074
   15    HA   CYS   2           HA       CYS   2  -8.005  -3.373  -3.373
   16   1HB   CYS   2          1HB       CYS   2  -5.601  -4.606  -4.606
   17   2HB   CYS   2          2HB       CYS   2  -5.771  -3.018  -3.018
   18    H    ASN   3           H        ASN   3  -8.691  -4.139  -4.139
   19    HA   ASN   3           HA       ASN   3  -7.834  -6.687  -6.687
   20   1HB   ASN   3          1HB       ASN   3 -10.034  -5.903  -5.903
   21   2HB   ASN   3          2HB       ASN   3  -9.414  -4.305  -4.305
   22   1HD2  ASN   3          2HD2      ASN   3  -8.658  -7.713  -7.713
   23   2HD2  ASN   3          1HD2      ASN   3  -8.645  -7.404  -7.404
   24    H    GLU   4           H        GLU   4  -5.543  -6.383  -6.383
   25    HA   GLU   4           HA       GLU   4  -4.123  -4.348  -4.348
   26   1HB   GLU   4          1HB       GLU   4  -3.126  -5.380  -5.380
   27   2HB   GLU   4          2HB       GLU   4  -3.385  -7.007  -7.007
   28   1HG   GLU   4          1HG       GLU   4  -1.870  -6.664  -6.664
   29   2HG   GLU   4          2HG       GLU   4  -1.656  -4.930  -4.930
   30    H    ARG   5           H        ARG   5  -3.750  -4.368  -4.368
   31    HA   ARG   5           HA       ARG   5  -3.766  -6.896  -6.896
   32   1HB   ARG   5          1HB       ARG   5  -5.193  -5.795  -5.795
   33   2HB   ARG   5          2HB       ARG   5  -6.056  -6.187  -6.187
   34   1HG   ARG   5          1HG       ARG   5  -6.064  -3.886  -3.886
   35   2HG   ARG   5          2HG       ARG   5  -4.917  -3.431  -3.431
   36   1HD   ARG   5          1HD       ARG   5  -6.819  -2.747  -2.747
   37   2HD   ARG   5          2HD       ARG   5  -6.774  -4.377  -4.377
   38   1HH1  ARG   5          1HH2      ARG   5  -8.604  -2.726  -2.726
   39   2HH1  ARG   5          2HH2      ARG   5 -10.265  -2.317  -2.317
   40   1HH2  ARG   5          1HH1      ARG   5 -10.296  -4.118  -4.118
   41   2HH2  ARG   5          2HH1      ARG   5 -11.294  -3.160  -3.160
   42    HA   PRO   6           HA       PRO   6  -0.211  -4.967  -4.967
   43   1HB   PRO   6          1HB       PRO   6   0.098  -6.129  -6.129
   44   2HB   PRO   6          2HB       PRO   6   0.241  -7.034  -7.034
   45   1HG   PRO   6          1HG       PRO   6  -2.216  -6.782  -6.782
   46   2HG   PRO   6          2HG       PRO   6  -1.459  -8.289  -8.289
   47   1HD   PRO   6          1HD       PRO   6  -3.558  -7.186  -7.186
   48   2HD   PRO   6          2HD       PRO   6  -2.194  -7.858  -7.858
   49    H    SER   7           H        SER   7   0.666  -3.908  -3.908
   50    HA   SER   7           HA       SER   7  -0.590  -1.438  -1.438
   51   1HB   SER   7          1HB       SER   7   0.922  -1.343  -1.343
   52   2HB   SER   7          2HB       SER   7   1.725  -1.633  -1.633
   53    HG   SER   7           HG       SER   7   0.965  -3.641  -3.641
   54    H    GLN   8           H        GLN   8  -2.688  -1.415  -1.415
   55    HA   GLN   8           HA       GLN   8  -3.396  -2.704  -2.704
   56   1HB   GLN   8          1HB       GLN   8  -4.932  -0.691  -0.691
   57   2HB   GLN   8          2HB       GLN   8  -5.522  -1.648  -1.648
   58   1HG   GLN   8          1HG       GLN   8  -4.784  -3.720  -3.720
   59   2HG   GLN   8          2HG       GLN   8  -4.770  -2.570  -2.570
   60   1HE2  GLN   8          2HE2      GLN   8  -6.798  -4.121  -4.121
   61   2HE2  GLN   8          1HE2      GLN   8  -8.331  -3.786  -3.786
   62    H    THR   9           H        THR   9  -2.984   0.644   0.644
   63    HA   THR   9           HA       THR   9  -3.132   1.966   1.966
   64    HB   THR   9           HB       THR   9  -2.195   3.824   3.824
   65    HG1  THR   9           HG1      THR   9  -2.583   3.154   3.154
   66   1HG2  THR   9          1HG2      THR   9  -4.842   2.436   2.436
   67   2HG2  THR   9          2HG2      THR   9  -4.415   4.110   4.110
   68   3HG2  THR   9          3HG2      THR   9  -4.564   3.639   3.639
   69    H    TRP  10           H        TRP  10  -0.699   1.608   1.608
   70    HA   TRP  10           HA       TRP  10   1.463   2.738   2.738
   71   1HB   TRP  10          1HB       TRP  10   1.064   2.426   2.426
   72   2HB   TRP  10          2HB       TRP  10   1.558   0.750   0.750
   73    HD1  TRP  10           HD1      TRP  10   4.193   0.479   0.479
   74    HE1  TRP  10           HE1      TRP  10   6.295   1.944   1.944
   75    HE3  TRP  10           HE3      TRP  10   1.908   4.602   4.602
   76    HZ2  TRP  10           HZ2      TRP  10   6.864   4.481   4.481
   77    HZ3  TRP  10           HZ3      TRP  10   3.209   6.555   6.555
   78    HH2  TRP  10           HH2      TRP  10   5.744   6.478   6.478
   79    H    SER  11           H        SER  11   1.161   1.530   1.530
   80    HA   SER  11           HA       SER  11   1.893  -1.240  -1.240
   81   1HB   SER  11          1HB       SER  11   1.573   0.752   0.752
   82   2HB   SER  11          2HB       SER  11   1.543  -1.014  -1.014
   83    HG   SER  11           HG       SER  11  -0.297   0.550   0.550
   84    H    GLY  12           H        GLY  12   3.951  -0.716  -0.716
   85   1HA   GLY  12          1HA       GLY  12   6.175  -1.296  -1.296
   86   2HA   GLY  12          2HA       GLY  12   6.207   0.412   0.412
   87    H    ASN  13           H        ASN  13   8.104   0.067   0.067
   88    HA   ASN  13           HA       ASN  13   8.029  -1.683  -1.683
   89   1HB   ASN  13          1HB       ASN  13   9.952  -1.833  -1.833
   90   2HB   ASN  13          2HB       ASN  13  10.361  -0.148  -0.148
   91   1HD2  ASN  13          2HD2      ASN  13  11.269   0.354   0.354
   92   2HD2  ASN  13          1HD2      ASN  13  11.741  -0.893  -0.893
   93    H    CYS  14           H        CYS  14   8.484  -0.744  -0.744
   94    HA   CYS  14           HA       CYS  14   7.522   2.055   2.055
   95   1HB   CYS  14          1HB       CYS  14   6.212   0.016   0.016
   96   2HB   CYS  14          2HB       CYS  14   7.400  -0.210  -0.210
   97    H    GLY  15           H        GLY  15   8.320   3.304   3.304
   98   1HA   GLY  15          1HA       GLY  15  10.577   2.482   2.482
   99   2HA   GLY  15          2HA       GLY  15  11.048   3.641   3.641
  100    H    ASN  16           H        ASN  16   9.118   5.359   5.359
  101    HA   ASN  16           HA       ASN  16   9.068   6.872   6.872
  102   1HB   ASN  16          1HB       ASN  16   9.245   7.858   7.858
  103   2HB   ASN  16          2HB       ASN  16   7.544   7.467   7.467
  104   1HD2  ASN  16          2HD2      ASN  16   9.062  10.111  10.111
  105   2HD2  ASN  16          1HD2      ASN  16   8.161  10.961  10.961
  106    H    THR  17           H        THR  17   8.082   5.235   5.235
  107    HA   THR  17           HA       THR  17   5.533   4.236   4.236
  108    HB   THR  17           HB       THR  17   7.236   3.381   3.381
  109    HG1  THR  17           HG1      THR  17   4.643   3.735   3.735
  110   1HG2  THR  17          2HG2      THR  17   7.777   5.474   5.474
  111   2HG2  THR  17          3HG2      THR  17   6.157   5.452   5.452
  112   3HG2  THR  17          1HG2      THR  17   7.306   4.148   4.148
  113    H    ALA  18           H        ALA  18   6.348   7.459   7.459
  114    HA   ALA  18           HA       ALA  18   3.741   8.107   8.107
  115   1HB   ALA  18          1HB       ALA  18   5.710   9.507   9.507
  116   2HB   ALA  18          2HB       ALA  18   5.836   9.923   9.923
  117   3HB   ALA  18          3HB       ALA  18   4.419  10.435  10.435
  118    H    HIS  19           H        HIS  19   5.289   8.545   8.545
  119    HA   HIS  19           HA       HIS  19   2.990   9.477   9.477
  120   1HB   HIS  19          1HB       HIS  19   5.341   9.473   9.473
  121   2HB   HIS  19          2HB       HIS  19   5.199   7.754   7.754
  122    HD1  HIS  19           HD1      HIS  19   5.924   8.815   8.815
  123    HD2  HIS  19           HD2      HIS  19   1.972   9.408   9.408
  124    HE1  HIS  19           HE1      HIS  19   4.438   9.143   9.143
  125    H    CYS  20           H        CYS  20   4.188   6.112   6.112
  126    HA   CYS  20           HA       CYS  20   2.188   4.668   4.668
  127   1HB   CYS  20          1HB       CYS  20   3.982   3.458   3.458
  128   2HB   CYS  20          2HB       CYS  20   3.494   4.090   4.090
  129    H    ASP  21           H        ASP  21   2.096   5.883   5.883
  130    HA   ASP  21           HA       ASP  21  -0.539   4.964   4.964
  131   1HB   ASP  21          1HB       ASP  21   0.955   5.626   5.626
  132   2HB   ASP  21          2HB       ASP  21   1.107   7.266   7.266
  133    H    LYS  22           H        LYS  22   0.660   8.050   8.050
  134    HA   LYS  22           HA       LYS  22  -1.894   9.275   9.275
  135   1HB   LYS  22          1HB       LYS  22   0.262   9.655   9.655
  136   2HB   LYS  22          2HB       LYS  22  -1.175  10.641  10.641
  137   1HG   LYS  22          1HG       LYS  22  -0.221  10.740  10.740
  138   2HG   LYS  22          2HG       LYS  22   1.207  10.165  10.165
  139   1HD   LYS  22          1HD       LYS  22   1.742  12.352  12.352
  140   2HD   LYS  22          2HD       LYS  22   0.596  12.255  12.255
  141   1HE   LYS  22          1HE       LYS  22   0.233  13.413  13.413
  142   2HE   LYS  22          2HE       LYS  22   0.018  14.214  14.214
  143   1HZ   LYS  22          1HZ       LYS  22  -1.807  12.211  12.211
  144   2HZ   LYS  22          2HZ       LYS  22  -1.831  12.701  12.701
  145    H    GLN  23           H        GLN  23  -0.179   7.046   7.046
  146    HA   GLN  23           HA       GLN  23  -2.448   7.064   7.064
  147   1HB   GLN  23          1HB       GLN  23  -0.207   5.100   5.100
  148   2HB   GLN  23          2HB       GLN  23  -1.401   5.590   5.590
  149   1HG   GLN  23          1HG       GLN  23  -0.457   7.998   7.998
  150   2HG   GLN  23          2HG       GLN  23   0.933   7.172   7.172
  151   1HE2  GLN  23          2HE2      GLN  23   0.304   4.881   4.881
  152   2HE2  GLN  23          1HE2      GLN  23   1.091   5.578   5.578
  153    H    CYS  24           H        CYS  24  -3.163   6.228   6.228
  154    HA   CYS  24           HA       CYS  24  -4.590   3.681   3.681
  155   1HB   CYS  24          1HB       CYS  24  -2.809   4.263   4.263
  156   2HB   CYS  24          2HB       CYS  24  -4.028   2.995   2.995
  157    H    GLN  25           H        GLN  25  -3.900   6.417   6.417
  158    HA   GLN  25           HA       GLN  25  -6.689   6.482   6.482
  159   1HB   GLN  25          1HB       GLN  25  -4.496   8.546   8.546
  160   2HB   GLN  25          2HB       GLN  25  -6.090   8.509   8.509
  161   1HG   GLN  25          1HG       GLN  25  -5.537   6.297   6.297
  162   2HG   GLN  25          2HG       GLN  25  -3.913   6.405   6.405
  163   1HE2  GLN  25          2HE2      GLN  25  -5.388   6.705   6.705
  164   2HE2  GLN  25          1HE2      GLN  25  -4.482   8.019   8.019
  165    H    ASP  26           H        ASP  26  -4.719   8.409   8.409
  166    HA   ASP  26           HA       ASP  26  -7.036  10.193  10.193
  167   1HB   ASP  26          1HB       ASP  26  -4.256  10.131  10.131
  168   2HB   ASP  26          2HB       ASP  26  -5.542  11.223  11.223
  169    H    TRP  27           H        TRP  27  -5.010   7.960   7.960
  170    HA   TRP  27           HA       TRP  27  -6.594   8.326   8.326
  171   1HB   TRP  27          1HB       TRP  27  -4.557   6.205   6.205
  172   2HB   TRP  27          2HB       TRP  27  -5.345   6.297   6.297
  173    HD1  TRP  27           HD1      TRP  27  -4.012   9.503   9.503
  174    HE1  TRP  27           HE1      TRP  27  -2.067  10.385  10.385
  175    HE3  TRP  27           HE3      TRP  27  -3.696   5.699   5.699
  176    HZ2  TRP  27           HZ2      TRP  27  -0.524   9.504   9.504
  177    HZ3  TRP  27           HZ3      TRP  27  -1.915   5.671   5.671
  178    HH2  TRP  27           HH2      TRP  27  -0.323   7.534   7.534
  179    H    GLU  28           H        GLU  28  -6.190   5.445   5.445
  180    HA   GLU  28           HA       GLU  28  -8.466   4.070   4.070
  181   1HB   GLU  28          1HB       GLU  28  -6.555   3.530   3.530
  182   2HB   GLU  28          2HB       GLU  28  -7.880   2.487   2.487
  183   1HG   GLU  28          1HG       GLU  28  -6.693   2.775   2.775
  184   2HG   GLU  28          2HG       GLU  28  -5.319   2.780   2.780
  185    H    LYS  29           H        LYS  29  -8.027   4.532   4.532
  186    HA   LYS  29           HA       LYS  29  -9.134   6.109   6.109
  187   1HB   LYS  29          1HB       LYS  29 -11.602   5.081   5.081
  188   2HB   LYS  29          2HB       LYS  29 -11.549   5.874   5.874
  189   1HG   LYS  29          1HG       LYS  29 -11.086   7.962   7.962
  190   2HG   LYS  29          2HG       LYS  29  -9.962   7.344   7.344
  191   1HD   LYS  29          1HD       LYS  29 -12.230   6.454   6.454
  192   2HD   LYS  29          2HD       LYS  29 -12.950   7.728   7.728
  193   1HE   LYS  29          1HE       LYS  29 -12.405   8.465   8.465
  194   2HE   LYS  29          2HE       LYS  29 -11.474   9.406   9.406
  195   1HZ   LYS  29          1HZ       LYS  29 -10.377   6.990   6.990
  196   2HZ   LYS  29          2HZ       LYS  29 -10.274   8.505   8.505
  197    H    ALA  30           H        ALA  30  -7.665   4.406   4.406
  198    HA   ALA  30           HA       ALA  30  -8.963   2.134   2.134
  199   1HB   ALA  30          1HB       ALA  30  -7.011   1.826   1.826
  200   2HB   ALA  30          2HB       ALA  30  -6.013   2.688   2.688
  201   3HB   ALA  30          3HB       ALA  30  -6.776   1.144   1.144
  202    H    SER  31           H        SER  31  -7.906   1.771   1.771
  203    HA   SER  31           HA       SER  31  -8.164   4.026   4.026
  204   1HB   SER  31          1HB       SER  31  -6.709   1.428   1.428
  205   2HB   SER  31          2HB       SER  31  -7.499   2.492   2.492
  206    HG   SER  31           HG       SER  31  -9.488   2.021   2.021
  207    H    HIS  32           H        HIS  32  -5.291   2.298   2.298
  208    HA   HIS  32           HA       HIS  32  -3.869   4.747   4.747
  209   1HB   HIS  32          1HB       HIS  32  -2.117   4.544   4.544
  210   2HB   HIS  32          2HB       HIS  32  -3.510   4.124   4.124
  211    HD1  HIS  32           HD1      HIS  32  -0.093   2.976   2.976
  212    HD2  HIS  32           HD2      HIS  32  -3.798   1.241   1.241
  213    HE1  HIS  32           HE1      HIS  32   0.365   0.587   0.587
  214    H    GLY  33           H        GLY  33  -1.446   4.167   4.167
  215   1HA   GLY  33          1HA       GLY  33  -1.281   1.522   1.522
  216   2HA   GLY  33          2HA       GLY  33  -0.677   2.887   2.887
  217    H    ALA  34           H        ALA  34   0.982   0.767   0.767
  218    HA   ALA  34           HA       ALA  34   3.134   2.175   2.175
  219   1HB   ALA  34          1HB       ALA  34   2.081  -0.335  -0.335
  220   2HB   ALA  34          2HB       ALA  34   3.662   0.402   0.402
  221   3HB   ALA  34          3HB       ALA  34   2.177   1.294   1.294
  222    H    CYS  35           H        CYS  35   5.178   1.432   1.432
  223    HA   CYS  35           HA       CYS  35   5.128  -0.309  -0.309
  224   1HB   CYS  35          1HB       CYS  35   7.365   0.890   0.890
  225   2HB   CYS  35          2HB       CYS  35   7.613  -0.093  -0.093
  226    H    HIS  36           H        HIS  36   5.802  -2.576  -2.576
  227    HA   HIS  36           HA       HIS  36   7.354  -3.652  -3.652
  228   1HB   HIS  36          1HB       HIS  36   5.200  -5.329  -5.329
  229   2HB   HIS  36          2HB       HIS  36   6.145  -5.638  -5.638
  230    HD1  HIS  36           HD1      HIS  36   5.447  -2.778  -2.778
  231    HD2  HIS  36           HD2      HIS  36   2.899  -5.444  -5.444
  232    HE1  HIS  36           HE1      HIS  36   3.169  -2.546  -2.546
  233    H    LYS  37           H        LYS  37   8.799  -5.308  -5.308
  234    HA   LYS  37           HA       LYS  37   9.135  -5.791  -5.791
  235   1HB   LYS  37          1HB       LYS  37  11.013  -5.382  -5.382
  236   2HB   LYS  37          2HB       LYS  37  10.720  -6.881  -6.881
  237   1HG   LYS  37          1HG       LYS  37  10.846  -7.862  -7.862
  238   2HG   LYS  37          2HG       LYS  37  11.551  -6.341  -6.341
  239   1HD   LYS  37          1HD       LYS  37  12.776  -7.803  -7.803
  240   2HD   LYS  37          2HD       LYS  37  12.944  -8.561  -8.561
  241   1HE   LYS  37          1HE       LYS  37  13.790  -6.158  -6.158
  242   2HE   LYS  37          2HE       LYS  37  14.082  -5.942  -5.942
  243   1HZ   LYS  37          1HZ       LYS  37  15.043  -8.426  -8.426
  244   2HZ   LYS  37          2HZ       LYS  37  15.737  -7.078  -7.078
  245    H    ARG  38           H        ARG  38   8.176  -7.361  -7.361
  246    HA   ARG  38           HA       ARG  38   7.461  -9.925  -9.925
  247   1HB   ARG  38          1HB       ARG  38   5.400  -8.645  -8.645
  248   2HB   ARG  38          2HB       ARG  38   5.755  -8.131  -8.131
  249   1HG   ARG  38          1HG       ARG  38   4.030  -9.772  -9.772
  250   2HG   ARG  38          2HG       ARG  38   5.487 -10.465 -10.465
  251   1HD   ARG  38          1HD       ARG  38   5.849 -11.579 -11.579
  252   2HD   ARG  38          2HD       ARG  38   4.199 -11.031 -11.031
  253   1HH1  ARG  38          1HH1      ARG  38   3.902 -12.946 -12.946
  254   2HH1  ARG  38          2HH1      ARG  38   3.257 -14.546 -14.546
  255   1HH2  ARG  38          1HH2      ARG  38   3.803 -14.551 -14.551
  256   2HH2  ARG  38          2HH2      ARG  38   3.144 -15.497 -15.497
  257    H    GLU  39           H        GLU  39   8.466 -11.545 -11.545
  258    HA   GLU  39           HA       GLU  39   9.714 -12.584 -12.584
  259   1HB   GLU  39          1HB       GLU  39   7.510 -11.376 -11.376
  260   2HB   GLU  39          2HB       GLU  39   8.632 -12.633 -12.633
  261   1HG   GLU  39          1HG       GLU  39   7.840 -14.207 -14.207
  262   2HG   GLU  39          2HG       GLU  39   6.887 -12.977 -12.977
  263    H    ASN  40           H        ASN  40  10.847 -10.314 -10.314
  264    HA   ASN  40           HA       ASN  40  12.347  -8.744  -8.744
  265   1HB   ASN  40          1HB       ASN  40  13.289 -10.797 -10.797
  266   2HB   ASN  40          2HB       ASN  40  12.856  -9.918  -9.918
  267   1HD2  ASN  40          2HD2      ASN  40  14.939  -9.284  -9.284
  268   2HD2  ASN  40          1HD2      ASN  40  16.088  -8.371  -8.371
  269    H    HIS  41           H        HIS  41   9.555  -8.239  -8.239
  270    HA   HIS  41           HA       HIS  41  10.370  -5.842  -5.842
  271   1HB   HIS  41          1HB       HIS  41   7.856  -7.507  -7.507
  272   2HB   HIS  41          2HB       HIS  41   8.061  -5.988  -5.988
  273    HD1  HIS  41           HD1      HIS  41  10.364  -6.035  -6.035
  274    HD2  HIS  41           HD2      HIS  41   8.702  -9.699  -9.699
  275    HE1  HIS  41           HE1      HIS  41  11.323  -7.864  -7.864
  276    H    TRP  42           H        TRP  42  10.060  -3.958  -3.958
  277    HA   TRP  42           HA       TRP  42   8.585  -4.038  -4.038
  278   1HB   TRP  42          1HB       TRP  42  10.167  -1.925  -1.925
  279   2HB   TRP  42          2HB       TRP  42   9.141  -1.583  -1.583
  280    HD1  TRP  42           HD1      TRP  42  12.238  -3.614  -3.614
  281    HE1  TRP  42           HE1      TRP  42  13.556  -4.027  -4.027
  282    HE3  TRP  42           HE3      TRP  42   8.793  -1.976  -1.976
  283    HZ2  TRP  42           HZ2      TRP  42  13.055  -3.883  -3.883
  284    HZ3  TRP  42           HZ3      TRP  42   9.242  -2.045  -2.045
  285    HH2  TRP  42           HH2      TRP  42  11.338  -3.062  -3.062
  286    H    LYS  43           H        LYS  43   6.326  -4.147  -4.147
  287    HA   LYS  43           HA       LYS  43   5.070  -2.522  -2.522
  288   1HB   LYS  43          1HB       LYS  43   3.508  -4.333  -4.333
  289   2HB   LYS  43          2HB       LYS  43   3.225  -3.903  -3.903
  290   1HG   LYS  43          1HG       LYS  43   5.307  -5.717  -5.717
  291   2HG   LYS  43          2HG       LYS  43   4.010  -6.261  -6.261
  292   1HD   LYS  43          1HD       LYS  43   6.278  -4.618  -4.618
  293   2HD   LYS  43          2HD       LYS  43   5.951  -6.332  -6.332
  294   1HE   LYS  43          1HE       LYS  43   5.241  -5.443  -5.443
  295   2HE   LYS  43          2HE       LYS  43   3.752  -5.788  -5.788
  296   1HZ   LYS  43          1HZ       LYS  43   4.635  -3.402  -3.402
  297   2HZ   LYS  43          2HZ       LYS  43   3.177  -3.703  -3.703
  298    H    CYS  44           H        CYS  44   3.673  -0.875  -0.875
  299    HA   CYS  44           HA       CYS  44   3.394   0.042   0.042
  300   1HB   CYS  44          1HB       CYS  44   3.385   1.704   1.704
  301   2HB   CYS  44          2HB       CYS  44   2.173   0.811   0.811
  302    H    PHE  45           H        PHE  45   2.189  -1.348  -1.348
  303    HA   PHE  45           HA       PHE  45  -0.161  -2.742  -2.742
  304   1HB   PHE  45          1HB       PHE  45   1.319  -2.902  -2.902
  305   2HB   PHE  45          2HB       PHE  45  -0.309  -3.506  -3.506
  306    HD1  PHE  45           HD2      PHE  45   2.970  -3.857  -3.857
  307    HD2  PHE  45           HD1      PHE  45  -0.719  -5.717  -5.717
  308    HE1  PHE  45           HE2      PHE  45   3.844  -6.070  -6.070
  309    HE2  PHE  45           HE1      PHE  45   0.126  -7.909  -7.909
  310    HZ   PHE  45           HZ       PHE  45   2.413  -8.095  -8.095
  311    H    CYS  46           H        CYS  46  -2.212  -2.205  -2.205
  312    HA   CYS  46           HA       CYS  46  -2.670   0.326   0.326
  313   1HB   CYS  46          1HB       CYS  46  -4.331  -0.959  -0.959
  314   2HB   CYS  46          2HB       CYS  46  -4.757   0.463   0.463
  315    H    TYR  47           H        TYR  47  -4.381   0.309   0.309
  316    HA   TYR  47           HA       TYR  47  -5.156  -2.401  -2.401
  317   1HB   TYR  47          1HB       TYR  47  -4.106   0.143   0.143
  318   2HB   TYR  47          2HB       TYR  47  -4.831  -1.119  -1.119
  319    HD1  TYR  47           HD1      TYR  47  -1.936  -0.402  -0.402
  320    HD2  TYR  47           HD2      TYR  47  -3.626  -3.022  -3.022
  321    HE1  TYR  47           HE1      TYR  47   0.280  -1.429  -1.429
  322    HE2  TYR  47           HE2      TYR  47  -1.381  -3.917  -3.917
  323    HH   TYR  47           HH       TYR  47   0.820  -3.825  -3.825
  324    H    PHE  48           H        PHE  48  -7.381  -2.428  -2.428
  325    HA   PHE  48           HA       PHE  48  -8.956   0.069   0.069
  326   1HB   PHE  48          1HB       PHE  48  -9.310  -2.653  -2.653
  327   2HB   PHE  48          2HB       PHE  48 -10.642  -1.584  -1.584
  328    HD1  PHE  48           HD2      PHE  48  -7.222  -1.690  -1.690
  329    HD2  PHE  48           HD1      PHE  48 -11.174   0.066   0.066
  330    HE1  PHE  48           HE2      PHE  48  -6.763  -0.643  -0.643
  331    HE2  PHE  48           HE1      PHE  48 -10.756   0.937   0.937
  332    HZ   PHE  48           HZ       PHE  48  -8.621   0.425   0.425
  333    H    ASN  49           H        ASN  49 -11.259  -0.638  -0.638
  334    HA   ASN  49           HA       ASN  49 -12.633  -1.320  -1.320
  335   1HB   ASN  49          1HB       ASN  49 -11.106  -3.886  -3.886
  336   2HB   ASN  49          2HB       ASN  49 -12.659  -3.839  -3.839
  337   1HD2  ASN  49          2HD2      ASN  49 -13.117  -5.342  -5.342
  338   2HD2  ASN  49          1HD2      ASN  49 -13.726  -4.550  -4.550
  339    H    CYS  50           H        CYS  50  -9.849  -0.471  -0.471
  340    HA   CYS  50           HA       CYS  50  -9.203  -2.437  -2.437
  341   1HB   CYS  50          1HB       CYS  50  -7.593  -1.102  -1.102
  342   2HB   CYS  50          2HB       CYS  50  -8.186   0.327   0.327

  Start of MODEL   21
    1   1H    LEU   1          2H        LEU   1 -10.638  -4.068  -4.068
    2   2H    LEU   1          3H        LEU   1 -11.514  -4.843  -4.843
    3   3H    LEU   1          1H        LEU   1 -11.544  -5.437  -5.437
    4    HA   LEU   1           HA       LEU   1  -9.205  -5.964  -5.964
    5   1HB   LEU   1          1HB       LEU   1 -11.075  -7.129  -7.129
    6   2HB   LEU   1          2HB       LEU   1  -9.395  -7.653  -7.653
    7    HG   LEU   1           HG       LEU   1  -9.665  -8.364  -8.364
    8   1HD1  LEU   1          1HD1      LEU   1 -12.581  -7.523  -7.523
    9   2HD1  LEU   1          2HD1      LEU   1 -11.980  -8.601  -8.601
   10   3HD1  LEU   1          3HD1      LEU   1 -11.413  -6.937  -6.937
   11   1HD2  LEU   1          1HD2      LEU   1 -10.071  -9.927  -9.927
   12   2HD2  LEU   1          2HD2      LEU   1 -11.082 -10.318 -10.318
   13   3HD2  LEU   1          3HD2      LEU   1 -11.793  -9.487  -9.487
   14    H    CYS   2           H        CYS   2  -7.483  -4.719  -4.719
   15    HA   CYS   2           HA       CYS   2  -7.518  -3.087  -3.087
   16   1HB   CYS   2          1HB       CYS   2  -5.106  -3.575  -3.575
   17   2HB   CYS   2          2HB       CYS   2  -5.597  -2.100  -2.100
   18    H    ASN   3           H        ASN   3  -7.905  -5.054  -5.054
   19    HA   ASN   3           HA       ASN   3  -5.786  -7.047  -7.047
   20   1HB   ASN   3          1HB       ASN   3  -7.269  -8.422  -8.422
   21   2HB   ASN   3          2HB       ASN   3  -8.106  -7.731  -7.731
   22   1HD2  ASN   3          2HD2      ASN   3  -9.720  -8.745  -8.745
   23   2HD2  ASN   3          1HD2      ASN   3 -10.505  -7.484  -7.484
   24    H    GLU   4           H        GLU   4  -4.628  -4.913  -4.913
   25    HA   GLU   4           HA       GLU   4  -3.081  -4.522  -4.522
   26   1HB   GLU   4          1HB       GLU   4  -2.502  -5.975  -5.975
   27   2HB   GLU   4          2HB       GLU   4  -2.723  -7.408  -7.408
   28   1HG   GLU   4          1HG       GLU   4  -1.077  -5.338  -5.338
   29   2HG   GLU   4          2HG       GLU   4  -0.439  -5.726  -5.726
   30    H    ARG   5           H        ARG   5  -3.912  -4.269  -4.269
   31    HA   ARG   5           HA       ARG   5  -3.903  -6.690  -6.690
   32   1HB   ARG   5          1HB       ARG   5  -6.071  -4.701  -4.701
   33   2HB   ARG   5          2HB       ARG   5  -5.714  -5.048  -5.048
   34   1HG   ARG   5          1HG       ARG   5  -5.880  -7.435  -7.435
   35   2HG   ARG   5          2HG       ARG   5  -6.084  -7.205  -7.205
   36   1HD   ARG   5          1HD       ARG   5  -7.993  -6.050  -6.050
   37   2HD   ARG   5          2HD       ARG   5  -8.220  -7.665  -7.665
   38   1HH1  ARG   5          1HH1      ARG   5 -10.051  -5.715  -5.715
   39   2HH1  ARG   5          2HH1      ARG   5 -11.329  -4.947  -4.947
   40   1HH2  ARG   5          1HH2      ARG   5  -9.641  -5.270  -5.270
   41   2HH2  ARG   5          2HH2      ARG   5 -11.118  -4.721  -4.721
   42    HA   PRO   6           HA       PRO   6  -0.837  -5.223  -5.223
   43   1HB   PRO   6          1HB       PRO   6  -0.887  -5.977  -5.977
   44   2HB   PRO   6          2HB       PRO   6  -0.851  -7.106  -7.106
   45   1HG   PRO   6          1HG       PRO   6  -3.297  -6.077  -6.077
   46   2HG   PRO   6          2HG       PRO   6  -2.864  -7.782  -7.782
   47   1HD   PRO   6          1HD       PRO   6  -4.566  -6.486  -6.486
   48   2HD   PRO   6          2HD       PRO   6  -3.275  -7.511  -7.511
   49    H    SER   7           H        SER   7   0.366  -4.047  -4.047
   50    HA   SER   7           HA       SER   7  -0.500  -1.346  -1.346
   51   1HB   SER   7          1HB       SER   7   1.267  -1.277  -1.277
   52   2HB   SER   7          2HB       SER   7   1.854  -1.890  -1.890
   53    HG   SER   7           HG       SER   7   0.919  -3.534  -3.534
   54    H    GLN   8           H        GLN   8  -2.440  -1.035  -1.035
   55    HA   GLN   8           HA       GLN   8  -3.155  -1.968  -1.968
   56   1HB   GLN   8          1HB       GLN   8  -4.436  -0.116  -0.116
   57   2HB   GLN   8          2HB       GLN   8  -5.215  -0.623  -0.623
   58   1HG   GLN   8          1HG       GLN   8  -5.621  -2.725  -2.725
   59   2HG   GLN   8          2HG       GLN   8  -4.175  -2.840  -2.840
   60   1HE2  GLN   8          2HE2      GLN   8  -4.199  -2.284  -2.284
   61   2HE2  GLN   8          1HE2      GLN   8  -5.611  -1.598  -1.598
   62    H    THR   9           H        THR   9  -3.673   1.366   1.366
   63    HA   THR   9           HA       THR   9  -2.910   2.456   2.456
   64    HB   THR   9           HB       THR   9  -3.415   4.572   4.572
   65    HG1  THR   9           HG1      THR   9  -4.678   3.920   3.920
   66   1HG2  THR   9          1HG2      THR   9  -5.537   2.403   2.403
   67   2HG2  THR   9          2HG2      THR   9  -5.867   4.128   4.128
   68   3HG2  THR   9          3HG2      THR   9  -5.028   3.587   3.587
   69    H    TRP  10           H        TRP  10  -0.990   1.658   1.658
   70    HA   TRP  10           HA       TRP  10   0.988   3.770   3.770
   71   1HB   TRP  10          1HB       TRP  10   0.940   2.430   2.430
   72   2HB   TRP  10          2HB       TRP  10   1.302   0.963   0.963
   73    HD1  TRP  10           HD1      TRP  10   3.761   0.905   0.905
   74    HE1  TRP  10           HE1      TRP  10   5.983   2.172   2.172
   75    HE3  TRP  10           HE3      TRP  10   2.083   4.251   4.251
   76    HZ2  TRP  10           HZ2      TRP  10   6.755   4.574   4.574
   77    HZ3  TRP  10           HZ3      TRP  10   3.540   6.097   6.097
   78    HH2  TRP  10           HH2      TRP  10   5.846   6.279   6.279
   79    H    SER  11           H        SER  11   0.165   0.607   0.607
   80    HA   SER  11           HA       SER  11   0.936  -0.564  -0.564
   81   1HB   SER  11          1HB       SER  11   1.131   2.233   2.233
   82   2HB   SER  11          2HB       SER  11   0.685   0.734   0.734
   83    HG   SER  11           HG       SER  11  -1.061   0.762   0.762
   84    H    GLY  12           H        GLY  12   3.143  -0.709  -0.709
   85   1HA   GLY  12          1HA       GLY  12   5.167  -1.226  -1.226
   86   2HA   GLY  12          2HA       GLY  12   5.469   0.428   0.428
   87    H    ASN  13           H        ASN  13   7.401  -0.210  -0.210
   88    HA   ASN  13           HA       ASN  13   7.218  -1.855  -1.855
   89   1HB   ASN  13          1HB       ASN  13   9.138  -2.260  -2.260
   90   2HB   ASN  13          2HB       ASN  13   9.656  -0.583  -0.583
   91   1HD2  ASN  13          2HD2      ASN  13  10.253   0.099   0.099
   92   2HD2  ASN  13          1HD2      ASN  13  10.990  -1.171  -1.171
   93    H    CYS  14           H        CYS  14   7.708  -0.808  -0.808
   94    HA   CYS  14           HA       CYS  14   6.650   1.761   1.761
   95   1HB   CYS  14          1HB       CYS  14   6.873  -0.040  -0.040
   96   2HB   CYS  14          2HB       CYS  14   8.641   0.144   0.144
   97    H    GLY  15           H        GLY  15   7.679   3.644   3.644
   98   1HA   GLY  15          1HA       GLY  15  10.534   4.121   4.121
   99   2HA   GLY  15          2HA       GLY  15   9.250   5.307   5.307
  100    H    ASN  16           H        ASN  16   7.757   5.271   5.271
  101    HA   ASN  16           HA       ASN  16   9.386   5.250   5.250
  102   1HB   ASN  16          1HB       ASN  16   9.752   7.522   7.522
  103   2HB   ASN  16          2HB       ASN  16   8.028   7.858   7.858
  104   1HD2  ASN  16          2HD2      ASN  16  10.293   9.301   9.301
  105   2HD2  ASN  16          1HD2      ASN  16  10.146   9.073   9.073
  106    H    THR  17           H        THR  17   8.186   4.470   4.470
  107    HA   THR  17           HA       THR  17   5.479   3.753   3.753
  108    HB   THR  17           HB       THR  17   7.236   2.730   2.730
  109    HG1  THR  17           HG1      THR  17   5.593   2.283   2.283
  110   1HG2  THR  17          3HG2      THR  17   7.922   4.810   4.810
  111   2HG2  THR  17          1HG2      THR  17   6.340   4.821   4.821
  112   3HG2  THR  17          2HG2      THR  17   7.467   3.479   3.479
  113    H    ALA  18           H        ALA  18   7.039   6.644   6.644
  114    HA   ALA  18           HA       ALA  18   4.728   7.831   7.831
  115   1HB   ALA  18          1HB       ALA  18   7.086   8.520   8.520
  116   2HB   ALA  18          2HB       ALA  18   7.189   9.187   9.187
  117   3HB   ALA  18          3HB       ALA  18   6.053   9.882   9.882
  118    H    HIS  19           H        HIS  19   5.614   7.439   7.439
  119    HA   HIS  19           HA       HIS  19   3.480   9.353   9.353
  120   1HB   HIS  19          1HB       HIS  19   5.415   9.304   9.304
  121   2HB   HIS  19          2HB       HIS  19   5.215   7.575   7.575
  122    HD1  HIS  19           HD1      HIS  19   4.996   8.261   8.261
  123    HD2  HIS  19           HD2      HIS  19   1.862   9.505   9.505
  124    HE1  HIS  19           HE1      HIS  19   2.919   8.592   8.592
  125    H    CYS  20           H        CYS  20   4.308   5.824   5.824
  126    HA   CYS  20           HA       CYS  20   2.094   4.743   4.743
  127   1HB   CYS  20          1HB       CYS  20   3.894   3.358   3.358
  128   2HB   CYS  20          2HB       CYS  20   3.391   3.740   3.740
  129    H    ASP  21           H        ASP  21   2.272   5.640   5.640
  130    HA   ASP  21           HA       ASP  21  -0.286   4.718   4.718
  131   1HB   ASP  21          1HB       ASP  21   1.396   5.392   5.392
  132   2HB   ASP  21          2HB       ASP  21   1.410   7.054   7.054
  133    H    LYS  22           H        LYS  22   0.769   7.830   7.830
  134    HA   LYS  22           HA       LYS  22  -1.804   9.135   9.135
  135   1HB   LYS  22          1HB       LYS  22   0.372   9.927   9.927
  136   2HB   LYS  22          2HB       LYS  22  -0.983  10.890  10.890
  137   1HG   LYS  22          1HG       LYS  22  -0.065  10.619  10.619
  138   2HG   LYS  22          2HG       LYS  22   1.307   9.763   9.763
  139   1HD   LYS  22          1HD       LYS  22   2.037  11.735  11.735
  140   2HD   LYS  22          2HD       LYS  22   0.539  12.598  12.598
  141   1HE   LYS  22          1HE       LYS  22   2.513  13.352  13.352
  142   2HE   LYS  22          2HE       LYS  22   1.098  12.879  12.879
  143   1HZ   LYS  22          1HZ       LYS  22   2.391  10.584  10.584
  144   2HZ   LYS  22          2HZ       LYS  22   3.701  11.635  11.635
  145    H    GLN  23           H        GLN  23   0.027   7.417   7.417
  146    HA   GLN  23           HA       GLN  23  -1.446   8.108   8.108
  147   1HB   GLN  23          1HB       GLN  23   0.787   7.014   7.014
  148   2HB   GLN  23          2HB       GLN  23   0.101   5.594   5.594
  149   1HG   GLN  23          1HG       GLN  23   0.407   4.989   4.989
  150   2HG   GLN  23          2HG       GLN  23  -1.331   5.181   5.181
  151   1HE2  GLN  23          2HE2      GLN  23  -0.634   5.213   5.213
  152   2HE2  GLN  23          1HE2      GLN  23  -0.377   6.789   6.789
  153    H    CYS  24           H        CYS  24  -1.813   5.309   5.309
  154    HA   CYS  24           HA       CYS  24  -4.063   4.093   4.093
  155   1HB   CYS  24          1HB       CYS  24  -2.932   3.988   3.988
  156   2HB   CYS  24          2HB       CYS  24  -4.293   2.990   2.990
  157    H    GLN  25           H        GLN  25  -3.962   6.982   6.982
  158    HA   GLN  25           HA       GLN  25  -6.860   6.870   6.870
  159   1HB   GLN  25          1HB       GLN  25  -4.707   8.844   8.844
  160   2HB   GLN  25          2HB       GLN  25  -6.405   8.861   8.861
  161   1HG   GLN  25          1HG       GLN  25  -6.147   6.690   6.690
  162   2HG   GLN  25          2HG       GLN  25  -4.493   6.541   6.541
  163   1HE2  GLN  25          2HE2      GLN  25  -6.304   9.216   9.216
  164   2HE2  GLN  25          1HE2      GLN  25  -5.108   9.430   9.430
  165    H    ASP  26           H        ASP  26  -4.372   8.533   8.533
  166    HA   ASP  26           HA       ASP  26  -5.919  10.755  10.755
  167   1HB   ASP  26          1HB       ASP  26  -3.342   9.551   9.551
  168   2HB   ASP  26          2HB       ASP  26  -4.046  11.075  11.075
  169    H    TRP  27           H        TRP  27  -4.669   7.808   7.808
  170    HA   TRP  27           HA       TRP  27  -6.372   8.291   8.291
  171   1HB   TRP  27          1HB       TRP  27  -4.339   6.110   6.110
  172   2HB   TRP  27          2HB       TRP  27  -5.333   6.127   6.127
  173    HD1  TRP  27           HD1      TRP  27  -3.160   8.880   8.880
  174    HE1  TRP  27           HE1      TRP  27  -1.443   9.690   9.690
  175    HE3  TRP  27           HE3      TRP  27  -4.500   5.863   5.863
  176    HZ2  TRP  27           HZ2      TRP  27  -0.640   8.939   8.939
  177    HZ3  TRP  27           HZ3      TRP  27  -3.050   5.633   5.633
  178    HH2  TRP  27           HH2      TRP  27  -1.176   7.244   7.244
  179    H    GLU  28           H        GLU  28  -5.735   5.525   5.525
  180    HA   GLU  28           HA       GLU  28  -8.422   4.379   4.379
  181   1HB   GLU  28          1HB       GLU  28  -5.777   3.492   3.492
  182   2HB   GLU  28          2HB       GLU  28  -6.931   3.104   3.104
  183   1HG   GLU  28          1HG       GLU  28  -7.271   2.338   2.338
  184   2HG   GLU  28          2HG       GLU  28  -6.521   1.320   1.320
  185    H    LYS  29           H        LYS  29  -8.971   3.584   3.584
  186    HA   LYS  29           HA       LYS  29  -8.917   5.708   5.708
  187   1HB   LYS  29          1HB       LYS  29 -11.525   5.078   5.078
  188   2HB   LYS  29          2HB       LYS  29 -11.509   5.680   5.680
  189   1HG   LYS  29          1HG       LYS  29 -11.625   7.714   7.714
  190   2HG   LYS  29          2HG       LYS  29  -9.899   7.545   7.545
  191   1HD   LYS  29          1HD       LYS  29 -10.686   6.516   6.516
  192   2HD   LYS  29          2HD       LYS  29 -12.232   7.252   7.252
  193   1HE   LYS  29          1HE       LYS  29 -11.044   8.849   8.849
  194   2HE   LYS  29          2HE       LYS  29 -10.992   9.475   9.475
  195   1HZ   LYS  29          1HZ       LYS  29  -8.836   7.766   7.766
  196   2HZ   LYS  29          2HZ       LYS  29  -8.874   9.406   9.406
  197    H    ALA  30           H        ALA  30  -7.713   3.694   3.694
  198    HA   ALA  30           HA       ALA  30  -9.198   1.700   1.700
  199   1HB   ALA  30          1HB       ALA  30  -7.172   1.116   1.116
  200   2HB   ALA  30          2HB       ALA  30  -6.203   2.142   2.142
  201   3HB   ALA  30          3HB       ALA  30  -7.029   0.692   0.692
  202    H    SER  31           H        SER  31  -8.178   1.638   1.638
  203    HA   SER  31           HA       SER  31  -8.752   4.080   4.080
  204   1HB   SER  31          1HB       SER  31  -7.149   1.712   1.712
  205   2HB   SER  31          2HB       SER  31  -8.060   2.873   2.873
  206    HG   SER  31           HG       SER  31  -9.950   2.104   2.104
  207    H    HIS  32           H        HIS  32  -5.743   2.456   2.456
  208    HA   HIS  32           HA       HIS  32  -4.516   4.880   4.880
  209   1HB   HIS  32          1HB       HIS  32  -2.814   5.161   5.161
  210   2HB   HIS  32          2HB       HIS  32  -4.210   4.990   4.990
  211    HD1  HIS  32           HD1      HIS  32  -0.867   4.191   4.191
  212    HD2  HIS  32           HD2      HIS  32  -4.306   1.841   1.841
  213    HE1  HIS  32           HE1      HIS  32  -0.259   1.901   1.901
  214    H    GLY  33           H        GLY  33  -1.753   4.005   4.005
  215   1HA   GLY  33          1HA       GLY  33  -1.636   1.369   1.369
  216   2HA   GLY  33          2HA       GLY  33  -0.966   2.664   2.664
  217    H    ALA  34           H        ALA  34   0.648   0.635   0.635
  218    HA   ALA  34           HA       ALA  34   2.806   1.926   1.926
  219   1HB   ALA  34          1HB       ALA  34   1.537  -0.510  -0.510
  220   2HB   ALA  34          2HB       ALA  34   3.126   0.165   0.165
  221   3HB   ALA  34          3HB       ALA  34   1.657   1.119   1.119
  222    H    CYS  35           H        CYS  35   4.776   1.115   1.115
  223    HA   CYS  35           HA       CYS  35   4.521  -0.781  -0.781
  224   1HB   CYS  35          1HB       CYS  35   6.828   0.798   0.798
  225   2HB   CYS  35          2HB       CYS  35   6.999  -0.386  -0.386
  226    H    HIS  36           H        HIS  36   5.475  -2.856  -2.856
  227    HA   HIS  36           HA       HIS  36   7.043  -3.941  -3.941
  228   1HB   HIS  36          1HB       HIS  36   4.923  -5.661  -5.661
  229   2HB   HIS  36          2HB       HIS  36   5.821  -5.890  -5.890
  230    HD1  HIS  36           HD1      HIS  36   5.135  -3.167  -3.167
  231    HD2  HIS  36           HD2      HIS  36   2.520  -5.403  -5.403
  232    HE1  HIS  36           HE1      HIS  36   2.784  -2.702  -2.702
  233    H    LYS  37           H        LYS  37   8.509  -5.566  -5.566
  234    HA   LYS  37           HA       LYS  37   8.842  -6.047  -6.047
  235   1HB   LYS  37          1HB       LYS  37  10.723  -5.658  -5.658
  236   2HB   LYS  37          2HB       LYS  37  10.379  -7.118  -7.118
  237   1HG   LYS  37          1HG       LYS  37  10.564  -8.243  -8.243
  238   2HG   LYS  37          2HG       LYS  37  11.196  -6.753  -6.753
  239   1HD   LYS  37          1HD       LYS  37  12.487  -8.002  -8.002
  240   2HD   LYS  37          2HD       LYS  37  12.709  -8.824  -8.824
  241   1HE   LYS  37          1HE       LYS  37  13.384  -6.317  -6.317
  242   2HE   LYS  37          2HE       LYS  37  13.738  -6.170  -6.170
  243   1HZ   LYS  37          1HZ       LYS  37  14.779  -8.548  -8.548
  244   2HZ   LYS  37          2HZ       LYS  37  15.365  -7.149  -7.149
  245    H    ARG  38           H        ARG  38   8.030  -7.742  -7.742
  246    HA   ARG  38           HA       ARG  38   7.827 -10.324 -10.324
  247   1HB   ARG  38          1HB       ARG  38   5.565  -9.212  -9.212
  248   2HB   ARG  38          2HB       ARG  38   5.848 -10.930 -10.930
  249   1HG   ARG  38          1HG       ARG  38   4.302 -10.539 -10.539
  250   2HG   ARG  38          2HG       ARG  38   5.797 -10.333 -10.333
  251   1HD   ARG  38          1HD       ARG  38   5.556  -7.813  -7.813
  252   2HD   ARG  38          2HD       ARG  38   4.126  -8.188  -8.188
  253   1HH1  ARG  38          1HH2      ARG  38   6.298  -8.763  -8.763
  254   2HH1  ARG  38          2HH2      ARG  38   5.981  -8.912  -8.912
  255   1HH2  ARG  38          1HH1      ARG  38   2.484  -8.256  -8.256
  256   2HH2  ARG  38          2HH1      ARG  38   3.754  -8.631  -8.631
  257    H    GLU  39           H        GLU  39   8.577 -11.933 -11.933
  258    HA   GLU  39           HA       GLU  39  10.052 -12.726 -12.726
  259   1HB   GLU  39          1HB       GLU  39   7.957 -11.483 -11.483
  260   2HB   GLU  39          2HB       GLU  39   9.076 -12.778 -12.778
  261   1HG   GLU  39          1HG       GLU  39   6.885 -12.983 -12.983
  262   2HG   GLU  39          2HG       GLU  39   6.785 -13.592 -13.592
  263    H    ASN  40           H        ASN  40  11.119 -10.559 -10.559
  264    HA   ASN  40           HA       ASN  40  12.607  -8.964  -8.964
  265   1HB   ASN  40          1HB       ASN  40  13.549 -10.628 -10.628
  266   2HB   ASN  40          2HB       ASN  40  12.855  -9.602  -9.602
  267   1HD2  ASN  40          2HD2      ASN  40  14.782  -8.674  -8.674
  268   2HD2  ASN  40          1HD2      ASN  40  15.935  -7.764  -7.764
  269    H    HIS  41           H        HIS  41   9.735  -8.600  -8.600
  270    HA   HIS  41           HA       HIS  41  10.371  -5.937  -5.937
  271   1HB   HIS  41          1HB       HIS  41   7.905  -7.665  -7.665
  272   2HB   HIS  41          2HB       HIS  41   8.070  -6.096  -6.096
  273    HD1  HIS  41           HD1      HIS  41  10.264  -5.964  -5.964
  274    HD2  HIS  41           HD2      HIS  41   8.830  -9.770  -9.770
  275    HE1  HIS  41           HE1      HIS  41  11.241  -7.666  -7.666
  276    H    TRP  42           H        TRP  42  10.004  -4.147  -4.147
  277    HA   TRP  42           HA       TRP  42   8.411  -4.268  -4.268
  278   1HB   TRP  42          1HB       TRP  42  10.079  -2.129  -2.129
  279   2HB   TRP  42          2HB       TRP  42   8.967  -1.848  -1.848
  280    HD1  TRP  42           HD1      TRP  42  12.059  -3.955  -3.955
  281    HE1  TRP  42           HE1      TRP  42  13.335  -4.287  -4.287
  282    HE3  TRP  42           HE3      TRP  42   8.553  -2.161  -2.161
  283    HZ2  TRP  42           HZ2      TRP  42  12.671  -4.251  -4.251
  284    HZ3  TRP  42           HZ3      TRP  42   8.893  -2.265  -2.265
  285    HH2  TRP  42           HH2      TRP  42  10.945  -3.340  -3.340
  286    H    LYS  43           H        LYS  43   6.198  -4.233  -4.233
  287    HA   LYS  43           HA       LYS  43   5.073  -2.581  -2.581
  288   1HB   LYS  43          1HB       LYS  43   3.410  -4.401  -4.401
  289   2HB   LYS  43          2HB       LYS  43   3.228  -3.964  -3.964
  290   1HG   LYS  43          1HG       LYS  43   5.252  -5.806  -5.806
  291   2HG   LYS  43          2HG       LYS  43   3.968  -6.351  -6.351
  292   1HD   LYS  43          1HD       LYS  43   6.210  -4.693  -4.693
  293   2HD   LYS  43          2HD       LYS  43   6.014  -6.438  -6.438
  294   1HE   LYS  43          1HE       LYS  43   5.299  -5.712  -5.712
  295   2HE   LYS  43          2HE       LYS  43   3.834  -6.170  -6.170
  296   1HZ   LYS  43          1HZ       LYS  43   4.416  -3.803  -3.803
  297   2HZ   LYS  43          2HZ       LYS  43   3.044  -4.163  -4.163
  298    H    CYS  44           H        CYS  44   3.808  -0.850  -0.850
  299    HA   CYS  44           HA       CYS  44   3.372  -0.036  -0.036
  300   1HB   CYS  44          1HB       CYS  44   3.567   1.677   1.677
  301   2HB   CYS  44          2HB       CYS  44   2.428   0.927   0.927
  302    H    PHE  45           H        PHE  45   1.990  -1.382  -1.382
  303    HA   PHE  45           HA       PHE  45  -0.323  -2.628  -2.628
  304   1HB   PHE  45          1HB       PHE  45   1.016  -3.044  -3.044
  305   2HB   PHE  45          2HB       PHE  45  -0.665  -3.477  -3.477
  306    HD1  PHE  45           HD1      PHE  45   2.609  -4.027  -4.027
  307    HD2  PHE  45           HD2      PHE  45  -1.243  -5.626  -5.626
  308    HE1  PHE  45           HE1      PHE  45   3.256  -6.234  -6.234
  309    HE2  PHE  45           HE2      PHE  45  -0.599  -7.826  -7.826
  310    HZ   PHE  45           HZ       PHE  45   1.640  -8.135  -8.135
  311    H    CYS  46           H        CYS  46  -2.395  -2.107  -2.107
  312    HA   CYS  46           HA       CYS  46  -2.867   0.400   0.400
  313   1HB   CYS  46          1HB       CYS  46  -4.618  -1.055  -1.055
  314   2HB   CYS  46          2HB       CYS  46  -5.006   0.425   0.425
  315    H    TYR  47           H        TYR  47  -4.602   0.343   0.343
  316    HA   TYR  47           HA       TYR  47  -5.091  -2.351  -2.351
  317   1HB   TYR  47          1HB       TYR  47  -4.009   0.287   0.287
  318   2HB   TYR  47          2HB       TYR  47  -4.849  -0.760  -0.760
  319    HD1  TYR  47           HD1      TYR  47  -1.967  -0.675  -0.675
  320    HD2  TYR  47           HD2      TYR  47  -3.686  -2.465  -2.465
  321    HE1  TYR  47           HE1      TYR  47   0.076  -2.004  -2.004
  322    HE2  TYR  47           HE2      TYR  47  -1.628  -3.754  -3.754
  323    HH   TYR  47           HH       TYR  47   0.443  -4.217  -4.217
  324    H    PHE  48           H        PHE  48  -7.408  -2.575  -2.575
  325    HA   PHE  48           HA       PHE  48  -9.015  -0.082  -0.082
  326   1HB   PHE  48          1HB       PHE  48  -9.358  -3.016  -3.016
  327   2HB   PHE  48          2HB       PHE  48 -10.603  -1.825  -1.825
  328    HD1  PHE  48           HD2      PHE  48  -7.321  -2.974  -2.974
  329    HD2  PHE  48           HD1      PHE  48 -10.604  -0.216  -0.216
  330    HE1  PHE  48           HE2      PHE  48  -6.613  -2.576  -2.576
  331    HE2  PHE  48           HE1      PHE  48  -9.847   0.228   0.228
  332    HZ   PHE  48           HZ       PHE  48  -7.876  -0.969  -0.969
  333    H    ASN  49           H        ASN  49 -11.304  -0.566  -0.566
  334    HA   ASN  49           HA       ASN  49 -12.668  -0.974  -0.974
  335   1HB   ASN  49          1HB       ASN  49 -13.311  -3.441  -3.441
  336   2HB   ASN  49          2HB       ASN  49 -13.405  -2.456  -2.456
  337   1HD2  ASN  49          2HD2      ASN  49 -10.726  -4.373  -4.373
  338   2HD2  ASN  49          1HD2      ASN  49 -10.257  -5.137  -5.137
  339    H    CYS  50           H        CYS  50 -10.548  -0.274  -0.274
  340    HA   CYS  50           HA       CYS  50  -9.205  -2.399  -2.399
  341   1HB   CYS  50          1HB       CYS  50  -7.936  -0.726  -0.726
  342   2HB   CYS  50          2HB       CYS  50  -8.871   0.539   0.539

  Start of MODEL   22
    1   1H    LEU   1          3H        LEU   1 -12.442  -5.158  -5.158
    2   2H    LEU   1          1H        LEU   1 -12.798  -4.700  -4.700
    3   3H    LEU   1          2H        LEU   1 -11.863  -3.699  -3.699
    4    HA   LEU   1           HA       LEU   1 -10.514  -4.804  -4.804
    5   1HB   LEU   1          1HB       LEU   1 -11.907  -6.737  -6.737
    6   2HB   LEU   1          2HB       LEU   1 -11.614  -7.327  -7.327
    7    HG   LEU   1           HG       LEU   1  -9.228  -7.696  -7.696
    8   1HD1  LEU   1          1HD1      LEU   1  -9.974  -6.691  -6.691
    9   2HD1  LEU   1          2HD1      LEU   1  -8.469  -7.539  -7.539
   10   3HD1  LEU   1          3HD1      LEU   1  -8.794  -5.955  -5.955
   11   1HD2  LEU   1          1HD2      LEU   1 -10.877  -9.488  -9.488
   12   2HD2  LEU   1          2HD2      LEU   1  -9.538  -9.565  -9.565
   13   3HD2  LEU   1          3HD2      LEU   1 -11.110  -8.913  -8.913
   14    H    CYS   2           H        CYS   2  -8.991  -3.744  -3.744
   15    HA   CYS   2           HA       CYS   2  -8.046  -3.029  -3.029
   16   1HB   CYS   2          1HB       CYS   2  -6.036  -4.777  -4.777
   17   2HB   CYS   2          2HB       CYS   2  -5.818  -3.222  -3.222
   18    H    ASN   3           H        ASN   3  -9.131  -3.974  -3.974
   19    HA   ASN   3           HA       ASN   3  -8.161  -6.591  -6.591
   20   1HB   ASN   3          1HB       ASN   3  -9.702  -4.641  -4.641
   21   2HB   ASN   3          2HB       ASN   3  -9.408  -6.350  -6.350
   22   1HD2  ASN   3          2HD2      ASN   3 -10.190  -6.436  -6.436
   23   2HD2  ASN   3          1HD2      ASN   3 -11.918  -6.545  -6.545
   24    H    GLU   4           H        GLU   4  -5.978  -6.443  -6.443
   25    HA   GLU   4           HA       GLU   4  -4.593  -4.366  -4.366
   26   1HB   GLU   4          1HB       GLU   4  -3.536  -5.563  -5.563
   27   2HB   GLU   4          2HB       GLU   4  -3.870  -7.127  -7.127
   28   1HG   GLU   4          1HG       GLU   4  -2.431  -6.712  -6.712
   29   2HG   GLU   4          2HG       GLU   4  -2.138  -5.006  -5.006
   30    H    ARG   5           H        ARG   5  -4.329  -4.275  -4.275
   31    HA   ARG   5           HA       ARG   5  -4.528  -6.739  -6.739
   32   1HB   ARG   5          1HB       ARG   5  -5.776  -5.639  -5.639
   33   2HB   ARG   5          2HB       ARG   5  -6.703  -5.592  -5.592
   34   1HG   ARG   5          1HG       ARG   5  -6.237  -3.237  -3.237
   35   2HG   ARG   5          2HG       ARG   5  -4.972  -3.256  -3.256
   36   1HD   ARG   5          1HD       ARG   5  -6.767  -2.226  -2.226
   37   2HD   ARG   5          2HD       ARG   5  -6.632  -3.829  -3.829
   38   1HH1  ARG   5          1HH2      ARG   5  -8.354  -1.818  -1.818
   39   2HH1  ARG   5          2HH2      ARG   5 -10.009  -1.344  -1.344
   40   1HH2  ARG   5          1HH1      ARG   5 -10.656  -3.752  -3.752
   41   2HH2  ARG   5          2HH1      ARG   5 -11.359  -2.517  -2.517
   42    HA   PRO   6           HA       PRO   6  -0.712  -5.071  -5.071
   43   1HB   PRO   6          1HB       PRO   6  -0.432  -6.272  -6.272
   44   2HB   PRO   6          2HB       PRO   6  -0.375  -7.184  -7.184
   45   1HG   PRO   6          1HG       PRO   6  -2.773  -6.788  -6.788
   46   2HG   PRO   6          2HG       PRO   6  -2.128  -8.335  -8.335
   47   1HD   PRO   6          1HD       PRO   6  -4.181  -7.078  -7.078
   48   2HD   PRO   6          2HD       PRO   6  -2.901  -7.854  -7.854
   49    H    SER   7           H        SER   7   0.265  -3.997  -3.997
   50    HA   SER   7           HA       SER   7  -0.936  -1.584  -1.584
   51   1HB   SER   7          1HB       SER   7   0.910  -2.180  -2.180
   52   2HB   SER   7          2HB       SER   7   1.128  -1.188  -1.188
   53    HG   SER   7           HG       SER   7   1.740  -2.927  -2.927
   54    H    GLN   8           H        GLN   8  -2.668  -1.145  -1.145
   55    HA   GLN   8           HA       GLN   8  -3.207  -2.422  -2.422
   56   1HB   GLN   8          1HB       GLN   8  -4.962  -0.752  -0.752
   57   2HB   GLN   8          2HB       GLN   8  -5.396  -1.335  -1.335
   58   1HG   GLN   8          1HG       GLN   8  -4.954  -3.703  -3.703
   59   2HG   GLN   8          2HG       GLN   8  -4.801  -2.994  -2.994
   60   1HE2  GLN   8          2HE2      GLN   8  -7.039  -3.903  -3.903
   61   2HE2  GLN   8          1HE2      GLN   8  -8.501  -3.484  -3.484
   62    H    THR   9           H        THR   9  -3.480   0.810   0.810
   63    HA   THR   9           HA       THR   9  -3.314   2.314   2.314
   64    HB   THR   9           HB       THR   9  -2.839   4.079   4.079
   65    HG1  THR   9           HG1      THR   9  -3.248   3.290   3.290
   66   1HG2  THR   9          3HG2      THR   9  -4.927   3.911   3.911
   67   2HG2  THR   9          1HG2      THR   9  -5.504   2.615   2.615
   68   3HG2  THR   9          2HG2      THR   9  -5.271   4.255   4.255
   69    H    TRP  10           H        TRP  10  -1.142   1.642   1.642
   70    HA   TRP  10           HA       TRP  10   1.162   2.945   2.945
   71   1HB   TRP  10          1HB       TRP  10   0.698   2.691   2.691
   72   2HB   TRP  10          2HB       TRP  10   1.052   0.988   0.988
   73    HD1  TRP  10           HD1      TRP  10   3.727   0.630   0.630
   74    HE1  TRP  10           HE1      TRP  10   5.872   1.987   1.987
   75    HE3  TRP  10           HE3      TRP  10   1.626   4.675   4.675
   76    HZ2  TRP  10           HZ2      TRP  10   6.562   4.457   4.457
   77    HZ3  TRP  10           HZ3      TRP  10   2.964   6.552   6.552
   78    HH2  TRP  10           HH2      TRP  10   5.518   6.448   6.448
   79    H    SER  11           H        SER  11   0.607   1.661   1.661
   80    HA   SER  11           HA       SER  11   1.062  -1.137  -1.137
   81   1HB   SER  11          1HB       SER  11   1.211   0.581   0.581
   82   2HB   SER  11          2HB       SER  11   0.529  -1.045  -1.045
   83    HG   SER  11           HG       SER  11  -1.127   0.025   0.025
   84    H    GLY  12           H        GLY  12   3.248  -0.778  -0.778
   85   1HA   GLY  12          1HA       GLY  12   5.330  -1.728  -1.728
   86   2HA   GLY  12          2HA       GLY  12   5.560   0.005   0.005
   87    H    ASN  13           H        ASN  13   7.430  -0.236  -0.236
   88    HA   ASN  13           HA       ASN  13   7.469  -1.865  -1.865
   89   1HB   ASN  13          1HB       ASN  13   9.311  -1.912  -1.912
   90   2HB   ASN  13          2HB       ASN  13   9.797  -0.321  -0.321
   91   1HD2  ASN  13          2HD2      ASN  13  10.319  -0.267  -0.267
   92   2HD2  ASN  13          1HD2      ASN  13  11.117  -1.705  -1.705
   93    H    CYS  14           H        CYS  14   8.147  -0.823  -0.823
   94    HA   CYS  14           HA       CYS  14   7.058   1.931   1.931
   95   1HB   CYS  14          1HB       CYS  14   6.046  -0.202  -0.202
   96   2HB   CYS  14          2HB       CYS  14   7.377  -0.179  -0.179
   97    H    GLY  15           H        GLY  15   7.966   3.063   3.063
   98   1HA   GLY  15          1HA       GLY  15  10.466   2.392   2.392
   99   2HA   GLY  15          2HA       GLY  15  10.697   3.632   3.632
  100    H    ASN  16           H        ASN  16   8.875   5.328   5.328
  101    HA   ASN  16           HA       ASN  16   8.845   6.601   6.601
  102   1HB   ASN  16          1HB       ASN  16   9.028   7.839   7.839
  103   2HB   ASN  16          2HB       ASN  16   7.330   7.476   7.476
  104   1HD2  ASN  16          2HD2      ASN  16   8.338  10.136  10.136
  105   2HD2  ASN  16          1HD2      ASN  16   7.644  10.811  10.811
  106    H    THR  17           H        THR  17   7.824   4.883   4.883
  107    HA   THR  17           HA       THR  17   5.212   4.023   4.023
  108    HB   THR  17           HB       THR  17   6.916   3.141   3.141
  109    HG1  THR  17           HG1      THR  17   4.377   3.565   3.565
  110   1HG2  THR  17          2HG2      THR  17   7.512   5.242   5.242
  111   2HG2  THR  17          3HG2      THR  17   5.896   5.267   5.267
  112   3HG2  THR  17          1HG2      THR  17   7.017   3.942   3.942
  113    H    ALA  18           H        ALA  18   6.283   7.159   7.159
  114    HA   ALA  18           HA       ALA  18   3.652   7.940   7.940
  115   1HB   ALA  18          1HB       ALA  18   5.733   8.842   8.842
  116   2HB   ALA  18          2HB       ALA  18   6.137   9.610   9.610
  117   3HB   ALA  18          3HB       ALA  18   4.697  10.126  10.126
  118    H    HIS  19           H        HIS  19   4.975   7.617   7.617
  119    HA   HIS  19           HA       HIS  19   2.849   9.354   9.354
  120   1HB   HIS  19          1HB       HIS  19   5.094   9.410   9.410
  121   2HB   HIS  19          2HB       HIS  19   4.972   7.696   7.696
  122    HD1  HIS  19           HD1      HIS  19   5.557   8.843   8.843
  123    HD2  HIS  19           HD2      HIS  19   1.653   9.292   9.292
  124    HE1  HIS  19           HE1      HIS  19   3.975   9.145   9.145
  125    H    CYS  20           H        CYS  20   3.933   5.919   5.919
  126    HA   CYS  20           HA       CYS  20   1.881   4.599   4.599
  127   1HB   CYS  20          1HB       CYS  20   3.678   3.325   3.325
  128   2HB   CYS  20          2HB       CYS  20   3.135   3.829   3.829
  129    H    ASP  21           H        ASP  21   1.760   5.781   5.781
  130    HA   ASP  21           HA       ASP  21  -0.832   4.792   4.792
  131   1HB   ASP  21          1HB       ASP  21  -0.779   6.019   6.019
  132   2HB   ASP  21          2HB       ASP  21   0.940   5.936   5.936
  133    H    LYS  22           H        LYS  22   0.216   7.633   7.633
  134    HA   LYS  22           HA       LYS  22  -2.354   8.965   8.965
  135   1HB   LYS  22          1HB       LYS  22  -0.069   9.592   9.592
  136   2HB   LYS  22          2HB       LYS  22  -1.486  10.579  10.579
  137   1HG   LYS  22          1HG       LYS  22  -0.768  10.259  10.259
  138   2HG   LYS  22          2HG       LYS  22   0.751   9.674   9.674
  139   1HD   LYS  22          1HD       LYS  22   0.877  11.963  11.963
  140   2HD   LYS  22          2HD       LYS  22  -0.506  12.447  12.447
  141   1HE   LYS  22          1HE       LYS  22   2.366  12.142  12.142
  142   2HE   LYS  22          2HE       LYS  22   1.153  13.251  13.251
  143   1HZ   LYS  22          1HZ       LYS  22   1.052  10.376  10.376
  144   2HZ   LYS  22          2HZ       LYS  22   2.115  11.387  11.387
  145    H    GLN  23           H        GLN  23  -0.480   6.861   6.861
  146    HA   GLN  23           HA       GLN  23  -2.691   6.967   6.967
  147   1HB   GLN  23          1HB       GLN  23  -0.510   4.936   4.936
  148   2HB   GLN  23          2HB       GLN  23  -1.658   5.497   5.497
  149   1HG   GLN  23          1HG       GLN  23  -0.650   7.865   7.865
  150   2HG   GLN  23          2HG       GLN  23   0.711   6.982   6.982
  151   1HE2  GLN  23          2HE2      GLN  23  -0.065   4.796   4.796
  152   2HE2  GLN  23          1HE2      GLN  23   0.623   5.523   5.523
  153    H    CYS  24           H        CYS  24  -3.543   6.144   6.144
  154    HA   CYS  24           HA       CYS  24  -4.865   3.569   3.569
  155   1HB   CYS  24          1HB       CYS  24  -3.046   4.155   4.155
  156   2HB   CYS  24          2HB       CYS  24  -4.283   2.900   2.900
  157    H    GLN  25           H        GLN  25  -4.213   6.276   6.276
  158    HA   GLN  25           HA       GLN  25  -6.971   6.399   6.399
  159   1HB   GLN  25          1HB       GLN  25  -4.620   8.298   8.298
  160   2HB   GLN  25          2HB       GLN  25  -6.215   8.555   8.555
  161   1HG   GLN  25          1HG       GLN  25  -6.065   6.502   6.502
  162   2HG   GLN  25          2HG       GLN  25  -4.612   6.011   6.011
  163   1HE2  GLN  25          2HE2      GLN  25  -5.675   8.973   8.973
  164   2HE2  GLN  25          1HE2      GLN  25  -4.212   9.088   9.088
  165    H    ASP  26           H        ASP  26  -4.985   8.292   8.292
  166    HA   ASP  26           HA       ASP  26  -7.195  10.211  10.211
  167   1HB   ASP  26          1HB       ASP  26  -4.402  10.090  10.090
  168   2HB   ASP  26          2HB       ASP  26  -5.606  11.299  11.299
  169    H    TRP  27           H        TRP  27  -5.276   7.995   7.995
  170    HA   TRP  27           HA       TRP  27  -6.812   8.441   8.441
  171   1HB   TRP  27          1HB       TRP  27  -4.826   6.264   6.264
  172   2HB   TRP  27          2HB       TRP  27  -5.593   6.380   6.380
  173    HD1  TRP  27           HD1      TRP  27  -4.117   9.430   9.430
  174    HE1  TRP  27           HE1      TRP  27  -2.137  10.326  10.326
  175    HE3  TRP  27           HE3      TRP  27  -4.018   5.893   5.893
  176    HZ2  TRP  27           HZ2      TRP  27  -0.629   9.520   9.520
  177    HZ3  TRP  27           HZ3      TRP  27  -2.226   5.884   5.884
  178    HH2  TRP  27           HH2      TRP  27  -0.536   7.665   7.665
  179    H    GLU  28           H        GLU  28  -6.402   5.474   5.474
  180    HA   GLU  28           HA       GLU  28  -9.102   4.429   4.429
  181   1HB   GLU  28          1HB       GLU  28  -6.716   3.523   3.523
  182   2HB   GLU  28          2HB       GLU  28  -8.228   2.666   2.666
  183   1HG   GLU  28          1HG       GLU  28  -8.127   2.308   2.308
  184   2HG   GLU  28          2HG       GLU  28  -6.550   3.112   3.112
  185    H    LYS  29           H        LYS  29  -9.289   3.646   3.646
  186    HA   LYS  29           HA       LYS  29  -9.508   5.991   5.991
  187   1HB   LYS  29          1HB       LYS  29 -12.096   4.845   4.845
  188   2HB   LYS  29          2HB       LYS  29 -12.047   5.696   5.696
  189   1HG   LYS  29          1HG       LYS  29 -12.482   7.542   7.542
  190   2HG   LYS  29          2HG       LYS  29 -10.775   7.556   7.556
  191   1HD   LYS  29          1HD       LYS  29 -11.592   6.085   6.085
  192   2HD   LYS  29          2HD       LYS  29 -13.180   6.688   6.688
  193   1HE   LYS  29          1HE       LYS  29 -12.446   8.255   8.255
  194   2HE   LYS  29          2HE       LYS  29 -12.133   9.066   9.066
  195   1HZ   LYS  29          1HZ       LYS  29 -10.078   7.447   7.447
  196   2HZ   LYS  29          2HZ       LYS  29 -10.326   9.065   9.065
  197    H    ALA  30           H        ALA  30  -8.042   4.176   4.176
  198    HA   ALA  30           HA       ALA  30  -9.149   2.043   2.043
  199   1HB   ALA  30          1HB       ALA  30  -7.248   1.669   1.669
  200   2HB   ALA  30          2HB       ALA  30  -6.284   2.815   2.815
  201   3HB   ALA  30          3HB       ALA  30  -6.819   1.291   1.291
  202    H    SER  31           H        SER  31  -8.074   1.891   1.891
  203    HA   SER  31           HA       SER  31  -8.327   4.311   4.311
  204   1HB   SER  31          1HB       SER  31  -7.062   1.653   1.653
  205   2HB   SER  31          2HB       SER  31  -7.670   2.868   2.868
  206    HG   SER  31           HG       SER  31  -9.757   2.543   2.543
  207    H    HIS  32           H        HIS  32  -5.581   2.354   2.354
  208    HA   HIS  32           HA       HIS  32  -4.053   4.713   4.713
  209   1HB   HIS  32          1HB       HIS  32  -2.236   4.447   4.447
  210   2HB   HIS  32          2HB       HIS  32  -3.606   4.174   4.174
  211    HD1  HIS  32           HD1      HIS  32  -0.316   2.762   2.762
  212    HD2  HIS  32           HD2      HIS  32  -4.136   1.285   1.285
  213    HE1  HIS  32           HE1      HIS  32  -0.022   0.346   0.346
  214    H    GLY  33           H        GLY  33  -1.634   3.936   3.936
  215   1HA   GLY  33          1HA       GLY  33  -1.618   1.327   1.327
  216   2HA   GLY  33          2HA       GLY  33  -1.038   2.640   2.640
  217    H    ALA  34           H        ALA  34   0.680   0.608   0.608
  218    HA   ALA  34           HA       ALA  34   2.817   2.047   2.047
  219   1HB   ALA  34          1HB       ALA  34   1.713  -0.439  -0.439
  220   2HB   ALA  34          2HB       ALA  34   3.311   0.260   0.260
  221   3HB   ALA  34          3HB       ALA  34   1.844   1.190   1.190
  222    H    CYS  35           H        CYS  35   4.894   1.249   1.249
  223    HA   CYS  35           HA       CYS  35   4.887  -0.531  -0.531
  224   1HB   CYS  35          1HB       CYS  35   7.130   0.607   0.607
  225   2HB   CYS  35          2HB       CYS  35   7.324  -0.336  -0.336
  226    H    HIS  36           H        HIS  36   5.593  -2.812  -2.812
  227    HA   HIS  36           HA       HIS  36   7.016  -3.825  -3.825
  228   1HB   HIS  36          1HB       HIS  36   4.988  -5.598  -5.598
  229   2HB   HIS  36          2HB       HIS  36   5.775  -5.753  -5.753
  230    HD1  HIS  36           HD1      HIS  36   4.947  -2.937  -2.937
  231    HD2  HIS  36           HD2      HIS  36   2.549  -5.448  -5.448
  232    HE1  HIS  36           HE1      HIS  36   2.557  -2.646  -2.646
  233    H    LYS  37           H        LYS  37   8.569  -5.467  -5.467
  234    HA   LYS  37           HA       LYS  37   9.027  -5.857  -5.857
  235   1HB   LYS  37          1HB       LYS  37  10.844  -5.442  -5.442
  236   2HB   LYS  37          2HB       LYS  37  10.566  -6.953  -6.953
  237   1HG   LYS  37          1HG       LYS  37  10.778  -7.882  -7.882
  238   2HG   LYS  37          2HG       LYS  37  11.553  -6.391  -6.391
  239   1HD   LYS  37          1HD       LYS  37  12.372  -8.291  -8.291
  240   2HD   LYS  37          2HD       LYS  37  13.018  -8.430  -8.430
  241   1HE   LYS  37          1HE       LYS  37  14.001  -6.211  -6.211
  242   2HE   LYS  37          2HE       LYS  37  13.300  -5.935  -5.935
  243   1HZ   LYS  37          1HZ       LYS  37  14.935  -8.294  -8.294
  244   2HZ   LYS  37          2HZ       LYS  37  15.757  -6.837  -6.837
  245    H    ARG  38           H        ARG  38   8.095  -7.361  -7.361
  246    HA   ARG  38           HA       ARG  38   7.625 -10.071 -10.071
  247   1HB   ARG  38          1HB       ARG  38   5.421  -9.024  -9.024
  248   2HB   ARG  38          2HB       ARG  38   5.884  -8.456  -8.456
  249   1HG   ARG  38          1HG       ARG  38   4.442 -10.305 -10.305
  250   2HG   ARG  38          2HG       ARG  38   6.057 -10.824 -10.824
  251   1HD   ARG  38          1HD       ARG  38   6.218 -11.854 -11.854
  252   2HD   ARG  38          2HD       ARG  38   4.482 -11.496 -11.496
  253   1HH1  ARG  38          1HH2      ARG  38   4.278 -13.428 -13.428
  254   2HH1  ARG  38          2HH2      ARG  38   3.840 -15.092 -15.092
  255   1HH2  ARG  38          1HH1      ARG  38   4.857 -15.057 -15.057
  256   2HH2  ARG  38          2HH1      ARG  38   4.132 -16.065 -16.065
  257    H    GLU  39           H        GLU  39   9.016 -11.423 -11.423
  258    HA   GLU  39           HA       GLU  39  10.513 -12.217 -12.217
  259   1HB   GLU  39          1HB       GLU  39   8.160 -11.377 -11.377
  260   2HB   GLU  39          2HB       GLU  39   9.503 -12.382 -12.382
  261   1HG   GLU  39          1HG       GLU  39   8.994 -14.123 -14.123
  262   2HG   GLU  39          2HG       GLU  39   7.781 -13.108 -13.108
  263    H    ASN  40           H        ASN  40  11.729 -10.214 -10.214
  264    HA   ASN  40           HA       ASN  40  13.297  -8.632  -8.632
  265   1HB   ASN  40          1HB       ASN  40  14.212  -9.747  -9.747
  266   2HB   ASN  40          2HB       ASN  40  12.806  -9.551  -9.551
  267   1HD2  ASN  40          2HD2      ASN  40  15.708  -7.905  -7.905
  268   2HD2  ASN  40          1HD2      ASN  40  15.577  -6.576  -6.576
  269    H    HIS  41           H        HIS  41  10.075  -8.200  -8.200
  270    HA   HIS  41           HA       HIS  41  10.678  -5.424  -5.424
  271   1HB   HIS  41          1HB       HIS  41   8.408  -7.314  -7.314
  272   2HB   HIS  41          2HB       HIS  41   8.358  -5.602  -5.602
  273    HD1  HIS  41           HD1      HIS  41  10.648  -4.703  -4.703
  274    HD2  HIS  41           HD2      HIS  41   9.696  -8.820  -8.820
  275    HE1  HIS  41           HE1      HIS  41  12.008  -5.719  -5.719
  276    H    TRP  42           H        TRP  42  10.367  -3.884  -3.884
  277    HA   TRP  42           HA       TRP  42   8.515  -3.962  -3.962
  278   1HB   TRP  42          1HB       TRP  42  10.112  -1.771  -1.771
  279   2HB   TRP  42          2HB       TRP  42   8.995  -1.520  -1.520
  280    HD1  TRP  42           HD1      TRP  42  12.185  -3.455  -3.455
  281    HE1  TRP  42           HE1      TRP  42  13.428  -3.948  -3.948
  282    HE3  TRP  42           HE3      TRP  42   8.572  -2.054  -2.054
  283    HZ2  TRP  42           HZ2      TRP  42  12.747  -4.106  -4.106
  284    HZ3  TRP  42           HZ3      TRP  42   8.876  -2.379  -2.379
  285    HH2  TRP  42           HH2      TRP  42  10.905  -3.515  -3.515
  286    H    LYS  43           H        LYS  43   6.366  -4.193  -4.193
  287    HA   LYS  43           HA       LYS  43   5.119  -2.812  -2.812
  288   1HB   LYS  43          1HB       LYS  43   3.914  -4.726  -4.726
  289   2HB   LYS  43          2HB       LYS  43   3.289  -4.381  -4.381
  290   1HG   LYS  43          1HG       LYS  43   5.686  -5.924  -5.924
  291   2HG   LYS  43          2HG       LYS  43   4.377  -6.587  -6.587
  292   1HD   LYS  43          1HD       LYS  43   6.297  -4.650  -4.650
  293   2HD   LYS  43          2HD       LYS  43   6.218  -6.396  -6.396
  294   1HE   LYS  43          1HE       LYS  43   5.148  -5.648  -5.648
  295   2HE   LYS  43          2HE       LYS  43   3.836  -6.183  -6.183
  296   1HZ   LYS  43          1HZ       LYS  43   4.275  -3.684  -3.684
  297   2HZ   LYS  43          2HZ       LYS  43   2.933  -4.206  -4.206
  298    H    CYS  44           H        CYS  44   3.753  -1.115  -1.115
  299    HA   CYS  44           HA       CYS  44   3.178  -0.188  -0.188
  300   1HB   CYS  44          1HB       CYS  44   3.265   1.428   1.428
  301   2HB   CYS  44          2HB       CYS  44   2.128   0.493   0.493
  302    H    PHE  45           H        PHE  45   1.590  -1.104  -1.104
  303    HA   PHE  45           HA       PHE  45  -0.574  -2.701  -2.701
  304   1HB   PHE  45          1HB       PHE  45   0.983  -3.036  -3.036
  305   2HB   PHE  45          2HB       PHE  45  -0.685  -3.515  -3.515
  306    HD1  PHE  45           HD2      PHE  45   2.474  -4.158  -4.158
  307    HD2  PHE  45           HD1      PHE  45  -1.415  -5.585  -5.585
  308    HE1  PHE  45           HE2      PHE  45   3.117  -6.497  -6.497
  309    HE2  PHE  45           HE1      PHE  45  -0.806  -7.875  -7.875
  310    HZ   PHE  45           HZ       PHE  45   1.473  -8.330  -8.330
  311    H    CYS  46           H        CYS  46  -2.639  -2.245  -2.245
  312    HA   CYS  46           HA       CYS  46  -3.065   0.301   0.301
  313   1HB   CYS  46          1HB       CYS  46  -4.787  -0.997  -0.997
  314   2HB   CYS  46          2HB       CYS  46  -5.137   0.471   0.471
  315    H    TYR  47           H        TYR  47  -4.816   0.286   0.286
  316    HA   TYR  47           HA       TYR  47  -5.653  -2.429  -2.429
  317   1HB   TYR  47          1HB       TYR  47  -4.468   0.012   0.012
  318   2HB   TYR  47          2HB       TYR  47  -5.239  -1.256  -1.256
  319    HD1  TYR  47           HD2      TYR  47  -2.329  -0.523  -0.523
  320    HD2  TYR  47           HD1      TYR  47  -4.152  -3.323  -3.323
  321    HE1  TYR  47           HE2      TYR  47  -0.135  -1.606  -1.606
  322    HE2  TYR  47           HE1      TYR  47  -1.942  -4.309  -4.309
  323    HH   TYR  47           HH       TYR  47   0.280  -4.209  -4.209
  324    H    PHE  48           H        PHE  48  -8.029  -2.306  -2.306
  325    HA   PHE  48           HA       PHE  48  -9.271   0.354   0.354
  326   1HB   PHE  48          1HB       PHE  48 -10.160  -2.323  -2.323
  327   2HB   PHE  48          2HB       PHE  48 -11.224  -1.001  -1.001
  328    HD1  PHE  48           HD1      PHE  48  -8.071  -1.832  -1.832
  329    HD2  PHE  48           HD2      PHE  48 -11.608   0.649   0.649
  330    HE1  PHE  48           HE1      PHE  48  -7.550  -0.834  -0.834
  331    HE2  PHE  48           HE2      PHE  48 -11.168   1.490   1.490
  332    HZ   PHE  48           HZ       PHE  48  -9.168   0.699   0.699
  333    H    ASN  49           H        ASN  49 -11.423   0.133   0.133
  334    HA   ASN  49           HA       ASN  49 -12.303   0.140   0.140
  335   1HB   ASN  49          1HB       ASN  49 -13.583  -1.884  -1.884
  336   2HB   ASN  49          2HB       ASN  49 -13.735  -1.295  -1.295
  337   1HD2  ASN  49          2HD2      ASN  49 -13.017  -2.538  -2.538
  338   2HD2  ASN  49          1HD2      ASN  49 -12.608  -4.227  -4.227
  339    H    CYS  50           H        CYS  50  -9.724   0.381   0.381
  340    HA   CYS  50           HA       CYS  50  -8.968  -1.781  -1.781
  341   1HB   CYS  50          1HB       CYS  50  -7.376  -0.846  -0.846
  342   2HB   CYS  50          2HB       CYS  50  -7.453   0.656   0.656

  Start of MODEL   23
    1   1H    LEU   1          3H        LEU   1 -11.717  -5.370  -5.370
    2   2H    LEU   1          1H        LEU   1 -12.124  -5.772  -5.772
    3   3H    LEU   1          2H        LEU   1 -11.480  -4.257  -4.257
    4    HA   LEU   1           HA       LEU   1  -9.852  -5.613  -5.613
    5   1HB   LEU   1          1HB       LEU   1 -10.208  -7.490  -7.490
    6   2HB   LEU   1          2HB       LEU   1  -8.987  -7.590  -7.590
    7    HG   LEU   1           HG       LEU   1 -11.128  -7.654  -7.654
    8   1HD1  LEU   1          1HD1      LEU   1 -12.144  -8.943  -8.943
    9   2HD1  LEU   1          2HD1      LEU   1 -12.932  -9.020  -9.020
   10   3HD1  LEU   1          3HD1      LEU   1 -12.834  -7.481  -7.481
   11   1HD2  LEU   1          1HD2      LEU   1 -10.084 -10.023 -10.023
   12   2HD2  LEU   1          2HD2      LEU   1  -9.369  -9.359  -9.359
   13   3HD2  LEU   1          3HD2      LEU   1 -10.967 -10.119 -10.119
   14    H    CYS   2           H        CYS   2  -7.688  -5.152  -5.152
   15    HA   CYS   2           HA       CYS   2  -7.148  -3.280  -3.280
   16   1HB   CYS   2          1HB       CYS   2  -5.084  -4.537  -4.537
   17   2HB   CYS   2          2HB       CYS   2  -5.106  -2.915  -2.915
   18    H    ASN   3           H        ASN   3  -7.859  -4.864  -4.864
   19    HA   ASN   3           HA       ASN   3  -6.727  -7.370  -7.370
   20   1HB   ASN   3          1HB       ASN   3  -8.116  -7.583  -7.583
   21   2HB   ASN   3          2HB       ASN   3  -8.994  -6.641  -6.641
   22   1HD2  ASN   3          2HD2      ASN   3  -9.866  -6.519  -6.519
   23   2HD2  ASN   3          1HD2      ASN   3  -9.562  -4.914  -4.914
   24    H    GLU   4           H        GLU   4  -4.713  -5.082  -5.082
   25    HA   GLU   4           HA       GLU   4  -2.999  -4.634  -4.634
   26   1HB   GLU   4          1HB       GLU   4  -2.526  -6.286  -6.286
   27   2HB   GLU   4          2HB       GLU   4  -2.603  -7.600  -7.600
   28   1HG   GLU   4          1HG       GLU   4  -0.957  -5.368  -5.368
   29   2HG   GLU   4          2HG       GLU   4  -0.425  -5.849  -5.849
   30    H    ARG   5           H        ARG   5  -3.724  -4.209  -4.209
   31    HA   ARG   5           HA       ARG   5  -3.521  -6.447  -6.447
   32   1HB   ARG   5          1HB       ARG   5  -5.838  -4.788  -4.788
   33   2HB   ARG   5          2HB       ARG   5  -5.404  -4.638  -4.638
   34   1HG   ARG   5          1HG       ARG   5  -5.564  -6.957  -6.957
   35   2HG   ARG   5          2HG       ARG   5  -5.531  -7.335  -7.335
   36   1HD   ARG   5          1HD       ARG   5  -7.860  -7.473  -7.473
   37   2HD   ARG   5          2HD       ARG   5  -7.722  -6.802  -6.802
   38   1HH1  ARG   5          1HH1      ARG   5  -7.165  -6.491  -6.491
   39   2HH1  ARG   5          2HH1      ARG   5  -7.299  -5.078  -5.078
   40   1HH2  ARG   5          1HH2      ARG   5  -8.689  -2.967  -2.967
   41   2HH2  ARG   5          2HH2      ARG   5  -8.183  -3.178  -3.178
   42    HA   PRO   6           HA       PRO   6  -0.581  -4.225  -4.225
   43   1HB   PRO   6          1HB       PRO   6  -0.261  -4.989  -4.989
   44   2HB   PRO   6          2HB       PRO   6  -0.148  -6.119  -6.119
   45   1HG   PRO   6          1HG       PRO   6  -2.598  -5.526  -5.526
   46   2HG   PRO   6          2HG       PRO   6  -1.884  -7.130  -7.130
   47   1HD   PRO   6          1HD       PRO   6  -3.939  -6.157  -6.157
   48   2HD   PRO   6          2HD       PRO   6  -2.590  -7.037  -7.037
   49    H    SER   7           H        SER   7   0.390  -2.668  -2.668
   50    HA   SER   7           HA       SER   7  -0.899  -0.485  -0.485
   51   1HB   SER   7          1HB       SER   7   0.864  -0.795  -0.795
   52   2HB   SER   7          2HB       SER   7   1.492  -0.735  -0.735
   53    HG   SER   7           HG       SER   7   0.806  -3.123  -3.123
   54    H    GLN   8           H        GLN   8  -2.857  -0.675  -0.675
   55    HA   GLN   8           HA       GLN   8  -3.068  -2.460  -2.460
   56   1HB   GLN   8          1HB       GLN   8  -5.153  -0.747  -0.747
   57   2HB   GLN   8          2HB       GLN   8  -5.374  -1.689  -1.689
   58   1HG   GLN   8          1HG       GLN   8  -4.714  -3.762  -3.762
   59   2HG   GLN   8          2HG       GLN   8  -4.629  -2.789  -2.789
   60   1HE2  GLN   8          2HE2      GLN   8  -7.077  -2.839  -2.839
   61   2HE2  GLN   8          1HE2      GLN   8  -8.426  -3.171  -3.171
   62    H    THR   9           H        THR   9  -3.262   0.901   0.901
   63    HA   THR   9           HA       THR   9  -3.348   2.138   2.138
   64    HB   THR   9           HB       THR   9  -2.750   4.177   4.177
   65    HG1  THR   9           HG1      THR   9  -3.219   2.465   2.465
   66   1HG2  THR   9          3HG2      THR   9  -5.196   2.537   2.537
   67   2HG2  THR   9          1HG2      THR   9  -4.930   4.212   4.212
   68   3HG2  THR   9          2HG2      THR   9  -5.045   3.823   3.823
   69    H    TRP  10           H        TRP  10  -1.012   2.080   2.080
   70    HA   TRP  10           HA       TRP  10   1.008   3.497   3.497
   71   1HB   TRP  10          1HB       TRP  10   0.716   3.091   3.091
   72   2HB   TRP  10          2HB       TRP  10   1.122   1.401   1.401
   73    HD1  TRP  10           HD1      TRP  10   3.817   1.118   1.118
   74    HE1  TRP  10           HE1      TRP  10   5.918   2.179   2.179
   75    HE3  TRP  10           HE3      TRP  10   1.678   5.141   5.141
   76    HZ2  TRP  10           HZ2      TRP  10   6.507   4.305   4.305
   77    HZ3  TRP  10           HZ3      TRP  10   2.966   6.452   6.452
   78    HH2  TRP  10           HH2      TRP  10   5.312   5.959   5.959
   79    H    SER  11           H        SER  11   1.701   2.848   2.848
   80    HA   SER  11           HA       SER  11   1.672   0.149   0.149
   81   1HB   SER  11          1HB       SER  11   2.797   2.303   2.303
   82   2HB   SER  11          2HB       SER  11   1.657   1.001   1.001
   83    HG   SER  11           HG       SER  11   0.189   2.267   2.267
   84    H    GLY  12           H        GLY  12   3.589  -0.150  -0.150
   85   1HA   GLY  12          1HA       GLY  12   5.562  -1.558  -1.558
   86   2HA   GLY  12          2HA       GLY  12   6.252   0.069   0.069
   87    H    ASN  13           H        ASN  13   7.850  -0.216  -0.216
   88    HA   ASN  13           HA       ASN  13   7.547  -1.793  -1.793
   89   1HB   ASN  13          1HB       ASN  13   9.559  -1.887  -1.887
   90   2HB   ASN  13          2HB       ASN  13   9.939  -0.220  -0.220
   91   1HD2  ASN  13          2HD2      ASN  13  10.564   0.208   0.208
   92   2HD2  ASN  13          1HD2      ASN  13  11.266  -1.133  -1.133
   93    H    CYS  14           H        CYS  14   8.191  -0.794  -0.794
   94    HA   CYS  14           HA       CYS  14   6.949   1.719   1.719
   95   1HB   CYS  14          1HB       CYS  14   7.336  -0.029  -0.029
   96   2HB   CYS  14          2HB       CYS  14   9.086   0.171   0.171
   97    H    GLY  15           H        GLY  15   8.024   3.631   3.631
   98   1HA   GLY  15          1HA       GLY  15  10.757   4.228   4.228
   99   2HA   GLY  15          2HA       GLY  15   9.417   5.254   5.254
  100    H    ASN  16           H        ASN  16   7.829   5.596   5.596
  101    HA   ASN  16           HA       ASN  16   9.350   6.045   6.045
  102   1HB   ASN  16          1HB       ASN  16   9.531   8.150   8.150
  103   2HB   ASN  16          2HB       ASN  16   7.771   8.342   8.342
  104   1HD2  ASN  16          2HD2      ASN  16   9.594  10.265  10.265
  105   2HD2  ASN  16          1HD2      ASN  16   9.496  10.229  10.229
  106    H    THR  17           H        THR  17   8.230   5.044   5.044
  107    HA   THR  17           HA       THR  17   5.541   4.278   4.278
  108    HB   THR  17           HB       THR  17   7.298   3.239   3.239
  109    HG1  THR  17           HG1      THR  17   4.858   3.845   3.845
  110   1HG2  THR  17          3HG2      THR  17   8.114   5.281   5.281
  111   2HG2  THR  17          1HG2      THR  17   6.565   5.391   5.391
  112   3HG2  THR  17          2HG2      THR  17   7.618   3.990   3.990
  113    H    ALA  18           H        ALA  18   6.988   7.277   7.277
  114    HA   ALA  18           HA       ALA  18   4.687   8.309   8.309
  115   1HB   ALA  18          1HB       ALA  18   7.025   9.154   9.154
  116   2HB   ALA  18          2HB       ALA  18   6.939   9.852   9.852
  117   3HB   ALA  18          3HB       ALA  18   5.848  10.430  10.430
  118    H    HIS  19           H        HIS  19   5.364   7.892   7.892
  119    HA   HIS  19           HA       HIS  19   3.060   9.650   9.650
  120   1HB   HIS  19          1HB       HIS  19   4.885   9.709   9.709
  121   2HB   HIS  19          2HB       HIS  19   4.839   7.972   7.972
  122    HD1  HIS  19           HD1      HIS  19   4.455   8.502   8.502
  123    HD2  HIS  19           HD2      HIS  19   1.332   9.606   9.606
  124    HE1  HIS  19           HE1      HIS  19   2.298   8.572   8.572
  125    H    CYS  20           H        CYS  20   4.124   6.183   6.183
  126    HA   CYS  20           HA       CYS  20   1.886   4.951   4.951
  127   1HB   CYS  20          1HB       CYS  20   3.857   3.692   3.692
  128   2HB   CYS  20          2HB       CYS  20   3.428   4.034   4.034
  129    H    ASP  21           H        ASP  21   2.264   5.934   5.934
  130    HA   ASP  21           HA       ASP  21  -0.267   4.923   4.923
  131   1HB   ASP  21          1HB       ASP  21   1.505   5.552   5.552
  132   2HB   ASP  21          2HB       ASP  21   1.299   7.264   7.264
  133    H    LYS  22           H        LYS  22   0.598   8.058   8.058
  134    HA   LYS  22           HA       LYS  22  -1.963   9.337   9.337
  135   1HB   LYS  22          1HB       LYS  22  -0.029   9.997   9.997
  136   2HB   LYS  22          2HB       LYS  22  -1.365  10.972  10.972
  137   1HG   LYS  22          1HG       LYS  22  -0.214  11.093  11.093
  138   2HG   LYS  22          2HG       LYS  22   1.096  10.121  10.121
  139   1HD   LYS  22          1HD       LYS  22   1.663  11.874  11.874
  140   2HD   LYS  22          2HD       LYS  22   0.191  12.779  12.779
  141   1HE   LYS  22          1HE       LYS  22   2.313  13.751  13.751
  142   2HE   LYS  22          2HE       LYS  22   0.982  13.516  13.516
  143   1HZ   LYS  22          1HZ       LYS  22   2.440  11.182  11.182
  144   2HZ   LYS  22          2HZ       LYS  22   3.570  12.427  12.427
  145    H    GLN  23           H        GLN  23  -0.327   7.799   7.799
  146    HA   GLN  23           HA       GLN  23  -2.118   8.003   8.003
  147   1HB   GLN  23          1HB       GLN  23   0.219   7.118   7.118
  148   2HB   GLN  23          2HB       GLN  23  -0.220   5.789   5.789
  149   1HG   GLN  23          1HG       GLN  23  -0.156   4.717   4.717
  150   2HG   GLN  23          2HG       GLN  23  -1.867   5.015   5.015
  151   1HE2  GLN  23          2HE2      GLN  23  -1.566   4.577   4.577
  152   2HE2  GLN  23          1HE2      GLN  23  -1.093   5.934   5.934
  153    H    CYS  24           H        CYS  24  -1.831   5.302   5.302
  154    HA   CYS  24           HA       CYS  24  -3.980   3.777   3.777
  155   1HB   CYS  24          1HB       CYS  24  -2.702   4.095   4.095
  156   2HB   CYS  24          2HB       CYS  24  -3.929   2.871   2.871
  157    H    GLN  25           H        GLN  25  -4.054   6.533   6.533
  158    HA   GLN  25           HA       GLN  25  -6.850   6.092   6.092
  159   1HB   GLN  25          1HB       GLN  25  -4.956   8.432   8.432
  160   2HB   GLN  25          2HB       GLN  25  -6.610   8.310   8.310
  161   1HG   GLN  25          1HG       GLN  25  -6.047   6.321   6.321
  162   2HG   GLN  25          2HG       GLN  25  -4.444   6.239   6.239
  163   1HE2  GLN  25          2HE2      GLN  25  -6.299   8.964   8.964
  164   2HE2  GLN  25          1HE2      GLN  25  -5.035   9.360   9.360
  165    H    ASP  26           H        ASP  26  -5.031   8.505   8.505
  166    HA   ASP  26           HA       ASP  26  -7.298   9.999   9.999
  167   1HB   ASP  26          1HB       ASP  26  -4.476   9.833   9.833
  168   2HB   ASP  26          2HB       ASP  26  -5.697  10.987  10.987
  169    H    TRP  27           H        TRP  27  -5.202   7.702   7.702
  170    HA   TRP  27           HA       TRP  27  -6.898   7.897   7.897
  171   1HB   TRP  27          1HB       TRP  27  -4.454   6.137   6.137
  172   2HB   TRP  27          2HB       TRP  27  -5.389   6.160   6.160
  173    HD1  TRP  27           HD1      TRP  27  -4.040   9.243   9.243
  174    HE1  TRP  27           HE1      TRP  27  -2.364  10.431  10.431
  175    HE3  TRP  27           HE3      TRP  27  -4.244   6.053   6.053
  176    HZ2  TRP  27           HZ2      TRP  27  -1.092   9.897   9.897
  177    HZ3  TRP  27           HZ3      TRP  27  -2.713   6.327   6.327
  178    HH2  TRP  27           HH2      TRP  27  -1.113   8.187   8.187
  179    H    GLU  28           H        GLU  28  -5.681   5.198   5.198
  180    HA   GLU  28           HA       GLU  28  -7.158   3.476   3.476
  181   1HB   GLU  28          1HB       GLU  28  -4.857   3.141   3.141
  182   2HB   GLU  28          2HB       GLU  28  -5.765   2.478   2.478
  183   1HG   GLU  28          1HG       GLU  28  -6.719   0.745   0.745
  184   2HG   GLU  28          2HG       GLU  28  -6.094   1.534   1.534
  185    H    LYS  29           H        LYS  29  -7.500   4.005   4.005
  186    HA   LYS  29           HA       LYS  29  -9.339   5.057   5.057
  187   1HB   LYS  29          1HB       LYS  29 -11.014   2.912   2.912
  188   2HB   LYS  29          2HB       LYS  29 -11.527   4.116   4.116
  189   1HG   LYS  29          1HG       LYS  29 -10.331   4.908   4.908
  190   2HG   LYS  29          2HG       LYS  29 -12.051   4.691   4.691
  191   1HD   LYS  29          1HD       LYS  29 -12.047   6.426   6.426
  192   2HD   LYS  29          2HD       LYS  29 -10.312   6.704   6.704
  193   1HE   LYS  29          1HE       LYS  29 -12.341   7.024   7.024
  194   2HE   LYS  29          2HE       LYS  29 -11.827   8.348   8.348
  195   1HZ   LYS  29          1HZ       LYS  29 -10.017   6.758   6.758
  196   2HZ   LYS  29          2HZ       LYS  29 -10.580   8.306   8.306
  197    H    ALA  30           H        ALA  30  -7.697   4.127   4.127
  198    HA   ALA  30           HA       ALA  30  -8.880   1.882   1.882
  199   1HB   ALA  30          1HB       ALA  30  -6.892   1.295   1.295
  200   2HB   ALA  30          2HB       ALA  30  -5.996   2.635   2.635
  201   3HB   ALA  30          3HB       ALA  30  -6.476   1.245   1.245
  202    H    SER  31           H        SER  31  -7.951   1.722   1.722
  203    HA   SER  31           HA       SER  31  -8.515   4.076   4.076
  204   1HB   SER  31          1HB       SER  31  -6.958   1.582   1.582
  205   2HB   SER  31          2HB       SER  31  -7.672   2.732   2.732
  206    HG   SER  31           HG       SER  31  -9.390   1.561   1.561
  207    H    HIS  32           H        HIS  32  -5.514   2.454   2.454
  208    HA   HIS  32           HA       HIS  32  -4.018   4.869   4.869
  209   1HB   HIS  32          1HB       HIS  32  -2.751   4.737   4.737
  210   2HB   HIS  32          2HB       HIS  32  -4.151   3.958   3.958
  211    HD1  HIS  32           HD1      HIS  32  -0.511   3.340   3.340
  212    HD2  HIS  32           HD2      HIS  32  -4.020   1.209   1.209
  213    HE1  HIS  32           HE1      HIS  32   0.167   0.930   0.930
  214    H    GLY  33           H        GLY  33  -1.526   4.119   4.119
  215   1HA   GLY  33          1HA       GLY  33  -1.311   1.521   1.521
  216   2HA   GLY  33          2HA       GLY  33  -0.832   2.885   2.885
  217    H    ALA  34           H        ALA  34   1.000   1.089   1.089
  218    HA   ALA  34           HA       ALA  34   3.177   2.243   2.243
  219   1HB   ALA  34          1HB       ALA  34   1.721  -0.166  -0.166
  220   2HB   ALA  34          2HB       ALA  34   3.423   0.188   0.188
  221   3HB   ALA  34          3HB       ALA  34   2.158   1.339   1.339
  222    H    CYS  35           H        CYS  35   5.098   1.479   1.479
  223    HA   CYS  35           HA       CYS  35   4.758  -0.405  -0.405
  224   1HB   CYS  35          1HB       CYS  35   7.151   1.034   1.034
  225   2HB   CYS  35          2HB       CYS  35   7.253  -0.149  -0.149
  226    H    HIS  36           H        HIS  36   5.738  -2.539  -2.539
  227    HA   HIS  36           HA       HIS  36   7.498  -3.390  -3.390
  228   1HB   HIS  36          1HB       HIS  36   5.580  -5.553  -5.553
  229   2HB   HIS  36          2HB       HIS  36   6.384  -5.069  -5.069
  230    HD1  HIS  36           HD1      HIS  36   5.150  -2.667  -2.667
  231    HD2  HIS  36           HD2      HIS  36   3.085  -5.093  -5.093
  232    HE1  HIS  36           HE1      HIS  36   2.657  -2.331  -2.331
  233    H    LYS  37           H        LYS  37   8.553  -5.399  -5.399
  234    HA   LYS  37           HA       LYS  37   8.775  -6.121  -6.121
  235   1HB   LYS  37          1HB       LYS  37  10.711  -5.952  -5.952
  236   2HB   LYS  37          2HB       LYS  37  10.089  -7.209  -7.209
  237   1HG   LYS  37          1HG       LYS  37  10.033  -8.551  -8.551
  238   2HG   LYS  37          2HG       LYS  37  11.072  -7.305  -7.305
  239   1HD   LYS  37          1HD       LYS  37  11.844  -8.671  -8.671
  240   2HD   LYS  37          2HD       LYS  37  12.031  -9.570  -9.570
  241   1HE   LYS  37          1HE       LYS  37  13.321  -7.440  -7.440
  242   2HE   LYS  37          2HE       LYS  37  13.455  -7.047  -7.047
  243   1HZ   LYS  37          1HZ       LYS  37  14.144  -9.756  -9.756
  244   2HZ   LYS  37          2HZ       LYS  37  15.130  -8.580  -8.580
  245    H    ARG  38           H        ARG  38   7.657  -7.717  -7.717
  246    HA   ARG  38           HA       ARG  38   6.735 -10.074 -10.074
  247   1HB   ARG  38          1HB       ARG  38   5.017  -8.332  -8.332
  248   2HB   ARG  38          2HB       ARG  38   4.533  -9.914  -9.914
  249   1HG   ARG  38          1HG       ARG  38   5.045  -7.410  -7.410
  250   2HG   ARG  38          2HG       ARG  38   3.473  -7.971  -7.971
  251   1HD   ARG  38          1HD       ARG  38   3.613 -10.017 -10.017
  252   2HD   ARG  38          2HD       ARG  38   5.240  -9.666  -9.666
  253   1HH1  ARG  38          1HH2      ARG  38   6.218  -8.285  -8.285
  254   2HH1  ARG  38          2HH2      ARG  38   6.179  -7.840  -7.840
  255   1HH2  ARG  38          1HH1      ARG  38   2.619  -7.527  -7.527
  256   2HH2  ARG  38          2HH1      ARG  38   4.059  -7.306  -7.306
  257    H    GLU  39           H        GLU  39   7.062 -11.916 -11.916
  258    HA   GLU  39           HA       GLU  39   7.963 -13.079 -13.079
  259   1HB   GLU  39          1HB       GLU  39   7.000 -10.866 -10.866
  260   2HB   GLU  39          2HB       GLU  39   7.260 -12.547 -12.547
  261   1HG   GLU  39          1HG       GLU  39   5.215 -13.196 -13.196
  262   2HG   GLU  39          2HG       GLU  39   4.998 -11.555 -11.555
  263    H    ASN  40           H        ASN  40   9.663 -11.132 -11.132
  264    HA   ASN  40           HA       ASN  40  11.428  -9.765  -9.765
  265   1HB   ASN  40          1HB       ASN  40  12.242 -11.953 -11.953
  266   2HB   ASN  40          2HB       ASN  40  12.037 -11.152 -11.152
  267   1HD2  ASN  40          2HD2      ASN  40  14.165 -10.637 -10.637
  268   2HD2  ASN  40          1HD2      ASN  40  15.365  -9.873  -9.873
  269    H    HIS  41           H        HIS  41   8.896  -8.924  -8.924
  270    HA   HIS  41           HA       HIS  41  10.085  -6.864  -6.864
  271   1HB   HIS  41          1HB       HIS  41   7.273  -7.971  -7.971
  272   2HB   HIS  41          2HB       HIS  41   7.909  -6.811  -6.811
  273    HD1  HIS  41           HD1      HIS  41   6.751  -9.965  -9.965
  274    HD2  HIS  41           HD2      HIS  41  10.730  -8.493  -8.493
  275    HE1  HIS  41           HE1      HIS  41   8.155 -11.670 -11.670
  276    H    TRP  42           H        TRP  42  10.087  -4.843  -4.843
  277    HA   TRP  42           HA       TRP  42   8.582  -4.401  -4.401
  278   1HB   TRP  42          1HB       TRP  42  10.585  -2.811  -2.811
  279   2HB   TRP  42          2HB       TRP  42   9.613  -2.101  -2.101
  280    HD1  TRP  42           HD1      TRP  42  12.218  -4.834  -4.834
  281    HE1  TRP  42           HE1      TRP  42  13.433  -5.193  -5.193
  282    HE3  TRP  42           HE3      TRP  42   9.149  -2.123  -2.123
  283    HZ2  TRP  42           HZ2      TRP  42  12.904  -4.675  -4.675
  284    HZ3  TRP  42           HZ3      TRP  42   9.568  -1.971  -1.971
  285    HH2  TRP  42           HH2      TRP  42  11.425  -3.299  -3.299
  286    H    LYS  43           H        LYS  43   6.369  -4.193  -4.193
  287    HA   LYS  43           HA       LYS  43   5.416  -2.380  -2.380
  288   1HB   LYS  43          1HB       LYS  43   3.726  -4.076  -4.076
  289   2HB   LYS  43          2HB       LYS  43   3.313  -3.465  -3.465
  290   1HG   LYS  43          1HG       LYS  43   5.276  -5.645  -5.645
  291   2HG   LYS  43          2HG       LYS  43   3.772  -5.917  -5.917
  292   1HD   LYS  43          1HD       LYS  43   6.042  -4.433  -4.433
  293   2HD   LYS  43          2HD       LYS  43   5.627  -6.128  -6.128
  294   1HE   LYS  43          1HE       LYS  43   4.704  -5.139  -5.139
  295   2HE   LYS  43          2HE       LYS  43   3.321  -5.465  -5.465
  296   1HZ   LYS  43          1HZ       LYS  43   4.291  -3.024  -3.024
  297   2HZ   LYS  43          2HZ       LYS  43   2.801  -3.365  -3.365
  298    H    CYS  44           H        CYS  44   4.099  -0.650  -0.650
  299    HA   CYS  44           HA       CYS  44   3.745   0.240   0.240
  300   1HB   CYS  44          1HB       CYS  44   3.721   1.930   1.930
  301   2HB   CYS  44          2HB       CYS  44   2.672   1.099   1.099
  302    H    PHE  45           H        PHE  45   2.071  -0.467  -0.467
  303    HA   PHE  45           HA       PHE  45  -0.092  -2.141  -2.141
  304   1HB   PHE  45          1HB       PHE  45   1.739  -2.607  -2.607
  305   2HB   PHE  45          2HB       PHE  45   0.040  -2.917  -2.917
  306    HD1  PHE  45           HD1      PHE  45   2.836  -3.841  -3.841
  307    HD2  PHE  45           HD2      PHE  45  -1.042  -4.870  -4.870
  308    HE1  PHE  45           HE1      PHE  45   3.007  -6.094  -6.094
  309    HE2  PHE  45           HE2      PHE  45  -0.864  -7.129  -7.129
  310    HZ   PHE  45           HZ       PHE  45   1.151  -7.730  -7.730
  311    H    CYS  46           H        CYS  46  -2.058  -1.983  -1.983
  312    HA   CYS  46           HA       CYS  46  -2.674   0.491   0.491
  313   1HB   CYS  46          1HB       CYS  46  -4.196  -0.908  -0.908
  314   2HB   CYS  46          2HB       CYS  46  -4.692   0.558   0.558
  315    H    TYR  47           H        TYR  47  -4.504   0.301   0.301
  316    HA   TYR  47           HA       TYR  47  -5.136  -2.514  -2.514
  317   1HB   TYR  47          1HB       TYR  47  -4.205   0.023   0.023
  318   2HB   TYR  47          2HB       TYR  47  -4.913  -1.267  -1.267
  319    HD1  TYR  47           HD2      TYR  47  -1.994  -0.350  -0.350
  320    HD2  TYR  47           HD1      TYR  47  -3.750  -3.303  -3.303
  321    HE1  TYR  47           HE2      TYR  47   0.153  -1.570  -1.570
  322    HE2  TYR  47           HE1      TYR  47  -1.566  -4.397  -4.397
  323    HH   TYR  47           HH       TYR  47   0.627  -4.341  -4.341
  324    H    PHE  48           H        PHE  48  -7.430  -2.583  -2.583
  325    HA   PHE  48           HA       PHE  48  -8.456  -0.070  -0.070
  326   1HB   PHE  48          1HB       PHE  48  -9.417  -2.891  -2.891
  327   2HB   PHE  48          2HB       PHE  48 -10.419  -1.526  -1.526
  328    HD1  PHE  48           HD2      PHE  48  -7.044  -2.981  -2.981
  329    HD2  PHE  48           HD1      PHE  48 -10.179  -0.254  -0.254
  330    HE1  PHE  48           HE2      PHE  48  -5.794  -2.427  -2.427
  331    HE2  PHE  48           HE1      PHE  48  -8.905   0.315   0.315
  332    HZ   PHE  48           HZ       PHE  48  -6.688  -0.740  -0.740
  333    H    ASN  49           H        ASN  49  -9.814  -2.490  -2.490
  334    HA   ASN  49           HA       ASN  49 -11.618  -0.373  -0.373
  335   1HB   ASN  49          1HB       ASN  49 -13.237  -2.216  -2.216
  336   2HB   ASN  49          2HB       ASN  49 -12.958  -1.850  -1.850
  337   1HD2  ASN  49          2HD2      ASN  49 -11.556  -3.318  -3.318
  338   2HD2  ASN  49          1HD2      ASN  49 -11.443  -5.002  -5.002
  339    H    CYS  50           H        CYS  50  -9.356  -0.239  -0.239
  340    HA   CYS  50           HA       CYS  50  -8.698  -2.388  -2.388
  341   1HB   CYS  50          1HB       CYS  50  -7.002  -1.045  -1.045
  342   2HB   CYS  50          2HB       CYS  50  -7.632   0.377   0.377

  Start of MODEL   24
    1   1H    LEU   1          2H        LEU   1 -10.638  -3.701  -3.701
    2   2H    LEU   1          3H        LEU   1 -11.789  -4.146  -4.146
    3   3H    LEU   1          1H        LEU   1 -11.709  -4.955  -4.955
    4    HA   LEU   1           HA       LEU   1  -9.554  -5.782  -5.782
    5   1HB   LEU   1          1HB       LEU   1 -11.485  -7.160  -7.160
    6   2HB   LEU   1          2HB       LEU   1 -11.661  -6.361  -6.361
    7    HG   LEU   1           HG       LEU   1  -9.499  -7.313  -7.313
    8   1HD1  LEU   1          1HD1      LEU   1  -9.463  -8.660  -8.660
    9   2HD1  LEU   1          2HD1      LEU   1  -8.422  -9.101  -9.101
   10   3HD1  LEU   1          3HD1      LEU   1  -8.261  -7.508  -7.508
   11   1HD2  LEU   1          1HD2      LEU   1 -11.618  -8.544  -8.544
   12   2HD2  LEU   1          2HD2      LEU   1 -10.240  -9.639  -9.639
   13   3HD2  LEU   1          3HD2      LEU   1 -11.382  -9.396  -9.396
   14    H    CYS   2           H        CYS   2  -7.692  -4.950  -4.950
   15    HA   CYS   2           HA       CYS   2  -7.672  -3.034  -3.034
   16   1HB   CYS   2          1HB       CYS   2  -5.253  -4.126  -4.126
   17   2HB   CYS   2          2HB       CYS   2  -5.518  -2.508  -2.508
   18    H    ASN   3           H        ASN   3  -8.371  -4.319  -4.319
   19    HA   ASN   3           HA       ASN   3  -7.592  -6.935  -6.935
   20   1HB   ASN   3          1HB       ASN   3  -8.636  -5.252  -5.252
   21   2HB   ASN   3          2HB       ASN   3  -8.966  -6.957  -6.957
   22   1HD2  ASN   3          2HD2      ASN   3 -10.534  -7.542  -7.542
   23   2HD2  ASN   3          1HD2      ASN   3 -11.657  -6.323  -6.323
   24    H    GLU   4           H        GLU   4  -5.266  -4.930  -4.930
   25    HA   GLU   4           HA       GLU   4  -3.502  -4.649  -4.649
   26   1HB   GLU   4          1HB       GLU   4  -3.205  -6.288  -6.288
   27   2HB   GLU   4          2HB       GLU   4  -3.415  -7.615  -7.615
   28   1HG   GLU   4          1HG       GLU   4  -1.568  -5.642  -5.642
   29   2HG   GLU   4          2HG       GLU   4  -1.041  -5.995  -5.995
   30    H    ARG   5           H        ARG   5  -4.170  -4.165  -4.165
   31    HA   ARG   5           HA       ARG   5  -4.388  -6.429  -6.429
   32   1HB   ARG   5          1HB       ARG   5  -6.185  -4.328  -4.328
   33   2HB   ARG   5          2HB       ARG   5  -5.273  -3.823  -3.823
   34   1HG   ARG   5          1HG       ARG   5  -6.874  -4.991  -4.991
   35   2HG   ARG   5          2HG       ARG   5  -5.758  -6.323  -6.323
   36   1HD   ARG   5          1HD       ARG   5  -8.158  -5.596  -5.596
   37   2HD   ARG   5          2HD       ARG   5  -8.119  -6.931  -6.931
   38   1HH1  ARG   5          1HH2      ARG   5  -6.945  -8.609  -8.609
   39   2HH1  ARG   5          2HH2      ARG   5  -6.285 -10.048 -10.048
   40   1HH2  ARG   5          1HH1      ARG   5  -5.900  -8.479  -8.479
   41   2HH2  ARG   5          2HH1      ARG   5  -5.681  -9.994  -9.994
   42    HA   PRO   6           HA       PRO   6  -0.540  -5.044  -5.044
   43   1HB   PRO   6          1HB       PRO   6  -1.609  -5.671  -5.671
   44   2HB   PRO   6          2HB       PRO   6  -0.033  -6.136  -6.136
   45   1HG   PRO   6          1HG       PRO   6  -2.063  -7.932  -7.932
   46   2HG   PRO   6          2HG       PRO   6  -1.063  -7.789  -7.789
   47   1HD   PRO   6          1HD       PRO   6  -3.813  -6.627  -6.627
   48   2HD   PRO   6          2HD       PRO   6  -3.144  -7.461  -7.461
   49    H    SER   7           H        SER   7   0.553  -3.764  -3.764
   50    HA   SER   7           HA       SER   7  -0.279  -1.099  -1.099
   51   1HB   SER   7          1HB       SER   7   1.317  -1.183  -1.183
   52   2HB   SER   7          2HB       SER   7   2.025  -1.597  -1.597
   53    HG   SER   7           HG       SER   7   0.964  -3.459  -3.459
   54    H    GLN   8           H        GLN   8  -2.311  -0.776  -0.776
   55    HA   GLN   8           HA       GLN   8  -3.174  -1.773  -1.773
   56   1HB   GLN   8          1HB       GLN   8  -4.364  -0.094  -0.094
   57   2HB   GLN   8          2HB       GLN   8  -5.257  -0.528  -0.528
   58   1HG   GLN   8          1HG       GLN   8  -5.384  -2.748  -2.748
   59   2HG   GLN   8          2HG       GLN   8  -3.964  -2.760  -2.760
   60   1HE2  GLN   8          2HE2      GLN   8  -4.013  -2.055  -2.055
   61   2HE2  GLN   8          1HE2      GLN   8  -5.530  -1.668  -1.668
   62    H    THR   9           H        THR   9  -3.820   1.548   1.548
   63    HA   THR   9           HA       THR   9  -3.205   2.628   2.628
   64    HB   THR   9           HB       THR   9  -3.373   4.836   4.836
   65    HG1  THR   9           HG1      THR   9  -4.716   3.196   3.196
   66   1HG2  THR   9          3HG2      THR   9  -5.662   2.867   2.867
   67   2HG2  THR   9          1HG2      THR   9  -5.892   4.546   4.546
   68   3HG2  THR   9          2HG2      THR   9  -5.164   4.190   4.190
   69    H    TRP  10           H        TRP  10  -1.158   1.905   1.905
   70    HA   TRP  10           HA       TRP  10   0.937   3.785   3.785
   71   1HB   TRP  10          1HB       TRP  10   0.779   2.458   2.458
   72   2HB   TRP  10          2HB       TRP  10   1.127   0.985   0.985
   73    HD1  TRP  10           HD1      TRP  10   3.662   0.708   0.708
   74    HE1  TRP  10           HE1      TRP  10   5.862   2.030   2.030
   75    HE3  TRP  10           HE3      TRP  10   1.743   4.682   4.682
   76    HZ2  TRP  10           HZ2      TRP  10   6.621   4.529   4.529
   77    HZ3  TRP  10           HZ3      TRP  10   3.159   6.592   6.592
   78    HH2  TRP  10           HH2      TRP  10   5.666   6.476   6.476
   79    H    SER  11           H        SER  11  -0.049   0.641   0.641
   80    HA   SER  11           HA       SER  11   0.970  -0.752  -0.752
   81   1HB   SER  11          1HB       SER  11   0.693   1.960   1.960
   82   2HB   SER  11          2HB       SER  11   0.942   0.441   0.441
   83    HG   SER  11           HG       SER  11  -1.174   0.675   0.675
   84    H    GLY  12           H        GLY  12   3.124  -0.746  -0.746
   85   1HA   GLY  12          1HA       GLY  12   5.209  -1.037  -1.037
   86   2HA   GLY  12          2HA       GLY  12   5.380   0.598   0.598
   87    H    ASN  13           H        ASN  13   7.408  -0.167  -0.167
   88    HA   ASN  13           HA       ASN  13   7.332  -1.809  -1.809
   89   1HB   ASN  13          1HB       ASN  13   9.219  -2.123  -2.123
   90   2HB   ASN  13          2HB       ASN  13   9.668  -0.425  -0.425
   91   1HD2  ASN  13          2HD2      ASN  13  10.348   0.290   0.290
   92   2HD2  ASN  13          1HD2      ASN  13  11.169  -0.944  -0.944
   93    H    CYS  14           H        CYS  14   7.946  -0.743  -0.743
   94    HA   CYS  14           HA       CYS  14   6.771   1.764   1.764
   95   1HB   CYS  14          1HB       CYS  14   7.263  -0.025  -0.025
   96   2HB   CYS  14          2HB       CYS  14   8.992   0.335   0.335
   97    H    GLY  15           H        GLY  15   7.744   3.714   3.714
   98   1HA   GLY  15          1HA       GLY  15  10.522   4.330   4.330
   99   2HA   GLY  15          2HA       GLY  15   9.172   5.395   5.395
  100    H    ASN  16           H        ASN  16   7.648   5.544   5.544
  101    HA   ASN  16           HA       ASN  16   9.229   5.861   5.861
  102   1HB   ASN  16          1HB       ASN  16   9.321   8.072   8.072
  103   2HB   ASN  16          2HB       ASN  16   7.563   8.205   8.205
  104   1HD2  ASN  16          2HD2      ASN  16   9.924   9.795   9.795
  105   2HD2  ASN  16          1HD2      ASN  16   9.607   9.775   9.775
  106    H    THR  17           H        THR  17   8.087   5.046   5.046
  107    HA   THR  17           HA       THR  17   5.505   3.961   3.961
  108    HB   THR  17           HB       THR  17   7.224   3.018   3.018
  109    HG1  THR  17           HG1      THR  17   4.703   3.489   3.489
  110   1HG2  THR  17          3HG2      THR  17   7.910   5.077   5.077
  111   2HG2  THR  17          1HG2      THR  17   6.327   5.111   5.111
  112   3HG2  THR  17          2HG2      THR  17   7.435   3.758   3.758
  113    H    ALA  18           H        ALA  18   6.544   7.094   7.094
  114    HA   ALA  18           HA       ALA  18   4.036   7.886   7.886
  115   1HB   ALA  18          1HB       ALA  18   6.134   9.172   9.172
  116   2HB   ALA  18          2HB       ALA  18   6.128   9.573   9.573
  117   3HB   ALA  18          3HB       ALA  18   4.833  10.170  10.170
  118    H    HIS  19           H        HIS  19   5.389   8.053   8.053
  119    HA   HIS  19           HA       HIS  19   3.040   9.289   9.289
  120   1HB   HIS  19          1HB       HIS  19   5.299   9.412   9.412
  121   2HB   HIS  19          2HB       HIS  19   5.173   7.714   7.714
  122    HD1  HIS  19           HD1      HIS  19   5.494   8.668   8.668
  123    HD2  HIS  19           HD2      HIS  19   1.917   9.717   9.717
  124    HE1  HIS  19           HE1      HIS  19   3.776   9.266   9.266
  125    H    CYS  20           H        CYS  20   4.155   5.878   5.878
  126    HA   CYS  20           HA       CYS  20   2.048   4.560   4.560
  127   1HB   CYS  20          1HB       CYS  20   3.869   3.277   3.277
  128   2HB   CYS  20          2HB       CYS  20   3.403   3.816   3.816
  129    H    ASP  21           H        ASP  21   2.161   5.686   5.686
  130    HA   ASP  21           HA       ASP  21  -0.487   4.877   4.877
  131   1HB   ASP  21          1HB       ASP  21   1.075   5.449   5.449
  132   2HB   ASP  21          2HB       ASP  21   1.294   7.087   7.087
  133    H    LYS  22           H        LYS  22   0.792   8.079   8.079
  134    HA   LYS  22           HA       LYS  22  -1.649   9.460   9.460
  135   1HB   LYS  22          1HB       LYS  22   0.587   9.662   9.662
  136   2HB   LYS  22          2HB       LYS  22  -0.820  10.719  10.719
  137   1HG   LYS  22          1HG       LYS  22  -0.087  10.992  10.992
  138   2HG   LYS  22          2HG       LYS  22   1.398  10.295  10.295
  139   1HD   LYS  22          1HD       LYS  22   1.468  12.792  12.792
  140   2HD   LYS  22          2HD       LYS  22   1.810  12.167  12.167
  141   1HE   LYS  22          1HE       LYS  22   0.294  14.228  14.228
  142   2HE   LYS  22          2HE       LYS  22  -0.247  12.924  12.924
  143   1HZ   LYS  22          1HZ       LYS  22  -1.988  13.868  13.868
  144   2HZ   LYS  22          2HZ       LYS  22  -1.792  12.208  12.208
  145    H    GLN  23           H        GLN  23  -0.186   7.517   7.517
  146    HA   GLN  23           HA       GLN  23  -2.357   7.856   7.856
  147   1HB   GLN  23          1HB       GLN  23  -0.625   5.436   5.436
  148   2HB   GLN  23          2HB       GLN  23  -1.692   6.045   6.045
  149   1HG   GLN  23          1HG       GLN  23   0.097   8.187   8.187
  150   2HG   GLN  23          2HG       GLN  23   1.045   6.752   6.752
  151   1HE2  GLN  23          2HE2      GLN  23  -0.351   5.680   5.680
  152   2HE2  GLN  23          1HE2      GLN  23  -0.210   6.839   6.839
  153    H    CYS  24           H        CYS  24  -1.787   5.125   5.125
  154    HA   CYS  24           HA       CYS  24  -4.120   3.710   3.710
  155   1HB   CYS  24          1HB       CYS  24  -2.593   3.988   3.988
  156   2HB   CYS  24          2HB       CYS  24  -3.908   2.835   2.835
  157    H    GLN  25           H        GLN  25  -3.776   6.430   6.430
  158    HA   GLN  25           HA       GLN  25  -6.576   6.243   6.243
  159   1HB   GLN  25          1HB       GLN  25  -4.539   8.475   8.475
  160   2HB   GLN  25          2HB       GLN  25  -6.138   8.396   8.396
  161   1HG   GLN  25          1HG       GLN  25  -5.532   6.358   6.358
  162   2HG   GLN  25          2HG       GLN  25  -3.962   6.291   6.291
  163   1HE2  GLN  25          2HE2      GLN  25  -5.233   6.983   6.983
  164   2HE2  GLN  25          1HE2      GLN  25  -4.168   8.274   8.274
  165    H    ASP  26           H        ASP  26  -4.753   8.672   8.672
  166    HA   ASP  26           HA       ASP  26  -6.925  10.304  10.304
  167   1HB   ASP  26          1HB       ASP  26  -4.165   9.996   9.996
  168   2HB   ASP  26          2HB       ASP  26  -5.326  11.202  11.202
  169    H    TRP  27           H        TRP  27  -5.113   7.861   7.861
  170    HA   TRP  27           HA       TRP  27  -6.976   8.211   8.211
  171   1HB   TRP  27          1HB       TRP  27  -4.633   6.233   6.233
  172   2HB   TRP  27          2HB       TRP  27  -5.692   6.357   6.357
  173    HD1  TRP  27           HD1      TRP  27  -3.878   9.176   9.176
  174    HE1  TRP  27           HE1      TRP  27  -2.269  10.376  10.376
  175    HE3  TRP  27           HE3      TRP  27  -4.818   6.437   6.437
  176    HZ2  TRP  27           HZ2      TRP  27  -1.421  10.062  10.062
  177    HZ3  TRP  27           HZ3      TRP  27  -3.491   6.779   6.779
  178    HH2  TRP  27           HH2      TRP  27  -1.818   8.615   8.615
  179    H    GLU  28           H        GLU  28  -5.872   5.408   5.408
  180    HA   GLU  28           HA       GLU  28  -7.694   3.829   3.829
  181   1HB   GLU  28          1HB       GLU  28  -5.483   3.116   3.116
  182   2HB   GLU  28          2HB       GLU  28  -6.414   2.923   2.923
  183   1HG   GLU  28          1HG       GLU  28  -6.306   0.782   0.782
  184   2HG   GLU  28          2HG       GLU  28  -7.965   1.363   1.363
  185    H    LYS  29           H        LYS  29  -7.800   4.458   4.458
  186    HA   LYS  29           HA       LYS  29  -9.667   5.571   5.571
  187   1HB   LYS  29          1HB       LYS  29 -11.276   3.284   3.284
  188   2HB   LYS  29          2HB       LYS  29 -11.752   4.307   4.307
  189   1HG   LYS  29          1HG       LYS  29 -11.284   5.415   5.415
  190   2HG   LYS  29          2HG       LYS  29 -12.810   4.994   4.994
  191   1HD   LYS  29          1HD       LYS  29 -12.981   7.004   7.004
  192   2HD   LYS  29          2HD       LYS  29 -11.605   6.685   6.685
  193   1HE   LYS  29          1HE       LYS  29 -11.604   7.945   7.945
  194   2HE   LYS  29          2HE       LYS  29 -11.267   8.757   8.757
  195   1HZ   LYS  29          1HZ       LYS  29  -9.596   6.532   6.532
  196   2HZ   LYS  29          2HZ       LYS  29  -9.336   8.112   8.112
  197    H    ALA  30           H        ALA  30  -7.507   4.355   4.355
  198    HA   ALA  30           HA       ALA  30  -8.351   2.081   2.081
  199   1HB   ALA  30          1HB       ALA  30  -6.246   2.116   2.116
  200   2HB   ALA  30          2HB       ALA  30  -5.649   3.407   3.407
  201   3HB   ALA  30          3HB       ALA  30  -6.012   1.794   1.794
  202    H    SER  31           H        SER  31  -7.813   2.069   2.069
  203    HA   SER  31           HA       SER  31  -8.182   4.514   4.514
  204   1HB   SER  31          1HB       SER  31  -7.103   1.766   1.766
  205   2HB   SER  31          2HB       SER  31  -7.353   3.073   3.073
  206    HG   SER  31           HG       SER  31  -9.370   1.877   1.877
  207    H    HIS  32           H        HIS  32  -5.399   2.517   2.517
  208    HA   HIS  32           HA       HIS  32  -3.788   4.853   4.853
  209   1HB   HIS  32          1HB       HIS  32  -2.140   4.520   4.520
  210   2HB   HIS  32          2HB       HIS  32  -3.582   4.124   4.124
  211    HD1  HIS  32           HD1      HIS  32  -0.197   2.862   2.862
  212    HD2  HIS  32           HD2      HIS  32  -3.985   1.266   1.266
  213    HE1  HIS  32           HE1      HIS  32   0.145   0.424   0.424
  214    H    GLY  33           H        GLY  33  -1.466   4.145   4.145
  215   1HA   GLY  33          1HA       GLY  33  -1.389   1.472   1.472
  216   2HA   GLY  33          2HA       GLY  33  -0.753   2.805   2.805
  217    H    ALA  34           H        ALA  34   0.878   0.716   0.716
  218    HA   ALA  34           HA       ALA  34   3.065   1.978   1.978
  219   1HB   ALA  34          1HB       ALA  34   1.788  -0.465  -0.465
  220   2HB   ALA  34          2HB       ALA  34   3.431   0.114   0.114
  221   3HB   ALA  34          3HB       ALA  34   2.036   1.137   1.137
  222    H    CYS  35           H        CYS  35   5.030   1.160   1.160
  223    HA   CYS  35           HA       CYS  35   4.785  -0.746  -0.746
  224   1HB   CYS  35          1HB       CYS  35   7.049   0.907   0.907
  225   2HB   CYS  35          2HB       CYS  35   7.242  -0.278  -0.278
  226    H    HIS  36           H        HIS  36   5.869  -2.791  -2.791
  227    HA   HIS  36           HA       HIS  36   7.428  -3.755  -3.755
  228   1HB   HIS  36          1HB       HIS  36   5.401  -5.608  -5.608
  229   2HB   HIS  36          2HB       HIS  36   6.243  -5.722  -5.722
  230    HD1  HIS  36           HD1      HIS  36   5.427  -3.104  -3.104
  231    HD2  HIS  36           HD2      HIS  36   2.932  -5.213  -5.213
  232    HE1  HIS  36           HE1      HIS  36   3.015  -2.639  -2.639
  233    H    LYS  37           H        LYS  37   8.875  -5.474  -5.474
  234    HA   LYS  37           HA       LYS  37   9.305  -5.933  -5.933
  235   1HB   LYS  37          1HB       LYS  37  11.155  -5.584  -5.584
  236   2HB   LYS  37          2HB       LYS  37  10.761  -7.014  -7.014
  237   1HG   LYS  37          1HG       LYS  37  10.920  -8.143  -8.143
  238   2HG   LYS  37          2HG       LYS  37  11.694  -6.700  -6.700
  239   1HD   LYS  37          1HD       LYS  37  12.797  -8.065  -8.065
  240   2HD   LYS  37          2HD       LYS  37  12.990  -8.899  -8.899
  241   1HE   LYS  37          1HE       LYS  37  13.950  -6.560  -6.560
  242   2HE   LYS  37          2HE       LYS  37  14.211  -6.299  -6.299
  243   1HZ   LYS  37          1HZ       LYS  37  15.071  -8.866  -8.866
  244   2HZ   LYS  37          2HZ       LYS  37  15.858  -7.575  -7.575
  245    H    ARG  38           H        ARG  38   8.243  -7.431  -7.431
  246    HA   ARG  38           HA       ARG  38   7.014  -9.766  -9.766
  247   1HB   ARG  38          1HB       ARG  38   5.634  -7.591  -7.591
  248   2HB   ARG  38          2HB       ARG  38   5.833  -8.205  -8.205
  249   1HG   ARG  38          1HG       ARG  38   3.770  -8.999  -8.999
  250   2HG   ARG  38          2HG       ARG  38   4.810 -10.419 -10.419
  251   1HD   ARG  38          1HD       ARG  38   4.814 -10.098 -10.098
  252   2HD   ARG  38          2HD       ARG  38   4.167  -8.452  -8.452
  253   1HH1  ARG  38          1HH2      ARG  38   3.360  -8.838  -8.838
  254   2HH1  ARG  38          2HH2      ARG  38   1.734  -8.670  -8.670
  255   1HH2  ARG  38          1HH1      ARG  38   0.261 -10.534 -10.534
  256   2HH2  ARG  38          2HH1      ARG  38  -0.049  -9.634  -9.634
  257    H    GLU  39           H        GLU  39   7.984 -11.590 -11.590
  258    HA   GLU  39           HA       GLU  39   9.201 -12.879 -12.879
  259   1HB   GLU  39          1HB       GLU  39   7.411 -11.533 -11.533
  260   2HB   GLU  39          2HB       GLU  39   8.306 -13.045 -13.045
  261   1HG   GLU  39          1HG       GLU  39   6.987 -14.122 -14.122
  262   2HG   GLU  39          2HG       GLU  39   6.122 -12.608 -12.608
  263    H    ASN  40           H        ASN  40  10.528 -10.633 -10.633
  264    HA   ASN  40           HA       ASN  40  12.208  -9.258  -9.258
  265   1HB   ASN  40          1HB       ASN  40  13.046 -11.449 -11.449
  266   2HB   ASN  40          2HB       ASN  40  12.739 -10.677 -10.677
  267   1HD2  ASN  40          2HD2      ASN  40  14.908 -10.326 -10.326
  268   2HD2  ASN  40          1HD2      ASN  40  16.085  -9.399  -9.399
  269    H    HIS  41           H        HIS  41   9.546  -8.571  -8.571
  270    HA   HIS  41           HA       HIS  41  10.670  -6.387  -6.387
  271   1HB   HIS  41          1HB       HIS  41   8.035  -7.848  -7.848
  272   2HB   HIS  41          2HB       HIS  41   8.444  -6.420  -6.420
  273    HD1  HIS  41           HD1      HIS  41  10.833  -6.785  -6.785
  274    HD2  HIS  41           HD2      HIS  41   8.780 -10.192 -10.192
  275    HE1  HIS  41           HE1      HIS  41  11.722  -8.797  -8.797
  276    H    TRP  42           H        TRP  42  10.311  -4.347  -4.347
  277    HA   TRP  42           HA       TRP  42   8.831  -4.266  -4.266
  278   1HB   TRP  42          1HB       TRP  42  10.567  -2.331  -2.331
  279   2HB   TRP  42          2HB       TRP  42   9.494  -1.821  -1.821
  280    HD1  TRP  42           HD1      TRP  42  12.516  -4.048  -4.048
  281    HE1  TRP  42           HE1      TRP  42  13.733  -4.358  -4.358
  282    HE3  TRP  42           HE3      TRP  42   8.991  -2.103  -2.103
  283    HZ2  TRP  42           HZ2      TRP  42  13.134  -4.033  -4.033
  284    HZ3  TRP  42           HZ3      TRP  42   9.349  -2.048  -2.048
  285    HH2  TRP  42           HH2      TRP  42  11.399  -3.046  -3.046
  286    H    LYS  43           H        LYS  43   6.603  -4.328  -4.328
  287    HA   LYS  43           HA       LYS  43   5.365  -2.652  -2.652
  288   1HB   LYS  43          1HB       LYS  43   3.871  -4.549  -4.549
  289   2HB   LYS  43          2HB       LYS  43   3.479  -4.028  -4.028
  290   1HG   LYS  43          1HG       LYS  43   5.647  -5.883  -5.883
  291   2HG   LYS  43          2HG       LYS  43   4.283  -6.405  -6.405
  292   1HD   LYS  43          1HD       LYS  43   6.399  -4.639  -4.639
  293   2HD   LYS  43          2HD       LYS  43   6.240  -6.381  -6.381
  294   1HE   LYS  43          1HE       LYS  43   5.332  -5.585  -5.585
  295   2HE   LYS  43          2HE       LYS  43   3.947  -6.102  -6.102
  296   1HZ   LYS  43          1HZ       LYS  43   4.473  -3.633  -3.633
  297   2HZ   LYS  43          2HZ       LYS  43   3.108  -4.101  -4.101
  298    H    CYS  44           H        CYS  44   4.234  -0.908  -0.908
  299    HA   CYS  44           HA       CYS  44   3.560  -0.090  -0.090
  300   1HB   CYS  44          1HB       CYS  44   3.599   1.497   1.497
  301   2HB   CYS  44          2HB       CYS  44   2.539   0.568   0.568
  302    H    PHE  45           H        PHE  45   1.830  -0.873  -0.873
  303    HA   PHE  45           HA       PHE  45  -0.256  -2.510  -2.510
  304   1HB   PHE  45          1HB       PHE  45   1.347  -3.023  -3.023
  305   2HB   PHE  45          2HB       PHE  45  -0.354  -3.395  -3.395
  306    HD1  PHE  45           HD2      PHE  45   2.692  -4.158  -4.158
  307    HD2  PHE  45           HD1      PHE  45  -1.251  -5.395  -5.395
  308    HE1  PHE  45           HE2      PHE  45   3.106  -6.433  -6.433
  309    HE2  PHE  45           HE1      PHE  45  -0.875  -7.618  -7.618
  310    HZ   PHE  45           HZ       PHE  45   1.293  -8.120  -8.120
  311    H    CYS  46           H        CYS  46  -2.311  -2.163  -2.163
  312    HA   CYS  46           HA       CYS  46  -2.795   0.346   0.346
  313   1HB   CYS  46          1HB       CYS  46  -4.457  -1.026  -1.026
  314   2HB   CYS  46          2HB       CYS  46  -4.856   0.464   0.464
  315    H    TYR  47           H        TYR  47  -4.594   0.346   0.346
  316    HA   TYR  47           HA       TYR  47  -5.434  -2.372  -2.372
  317   1HB   TYR  47          1HB       TYR  47  -4.336   0.105   0.105
  318   2HB   TYR  47          2HB       TYR  47  -5.076  -1.185  -1.185
  319    HD1  TYR  47           HD1      TYR  47  -2.129  -0.284  -0.284
  320    HD2  TYR  47           HD2      TYR  47  -3.985  -3.303  -3.303
  321    HE1  TYR  47           HE1      TYR  47  -0.024  -1.587  -1.587
  322    HE2  TYR  47           HE2      TYR  47  -1.851  -4.509  -4.509
  323    HH   TYR  47           HH       TYR  47   0.326  -4.541  -4.541
  324    H    PHE  48           H        PHE  48  -7.656  -2.292  -2.292
  325    HA   PHE  48           HA       PHE  48  -9.010   0.163   0.163
  326   1HB   PHE  48          1HB       PHE  48  -9.745  -2.747  -2.747
  327   2HB   PHE  48          2HB       PHE  48 -10.881  -1.442  -1.442
  328    HD1  PHE  48           HD2      PHE  48 -10.295   0.517   0.517
  329    HD2  PHE  48           HD1      PHE  48  -8.328  -3.326  -3.326
  330    HE1  PHE  48           HE2      PHE  48  -9.634   0.923   0.923
  331    HE2  PHE  48           HE1      PHE  48  -7.744  -2.937  -2.937
  332    HZ   PHE  48           HZ       PHE  48  -8.424  -0.846  -0.846
  333    H    ASN  49           H        ASN  49 -10.506  -2.604  -2.604
  334    HA   ASN  49           HA       ASN  49 -12.216  -0.570  -0.570
  335   1HB   ASN  49          1HB       ASN  49 -12.433  -3.610  -3.610
  336   2HB   ASN  49          2HB       ASN  49 -13.668  -2.447  -2.447
  337   1HD2  ASN  49          2HD2      ASN  49 -12.008  -3.916  -3.916
  338   2HD2  ASN  49          1HD2      ASN  49 -13.132  -3.347  -3.347
  339    H    CYS  50           H        CYS  50  -9.773  -0.390  -0.390
  340    HA   CYS  50           HA       CYS  50  -8.933  -2.290  -2.290
  341   1HB   CYS  50          1HB       CYS  50  -7.482  -0.761  -0.761
  342   2HB   CYS  50          2HB       CYS  50  -8.186   0.571   0.571

  Start of MODEL   25
    1   1H    LEU   1          2H        LEU   1 -11.225  -3.386  -3.386
    2   2H    LEU   1          3H        LEU   1 -12.322  -4.150  -4.150
    3   3H    LEU   1          1H        LEU   1 -12.310  -4.511  -4.511
    4    HA   LEU   1           HA       LEU   1 -10.119  -5.386  -5.386
    5   1HB   LEU   1          1HB       LEU   1 -10.615  -7.470  -7.470
    6   2HB   LEU   1          2HB       LEU   1 -12.068  -6.864  -6.864
    7    HG   LEU   1           HG       LEU   1 -11.533  -7.062  -7.062
    8   1HD1  LEU   1          1HD1      LEU   1 -11.964  -9.186  -9.186
    9   2HD1  LEU   1          2HD1      LEU   1 -13.478  -8.525  -8.525
   10   3HD1  LEU   1          3HD1      LEU   1 -13.287  -8.755  -8.755
   11   1HD2  LEU   1          1HD2      LEU   1 -13.991  -5.986  -5.986
   12   2HD2  LEU   1          2HD2      LEU   1 -12.991  -5.116  -5.116
   13   3HD2  LEU   1          3HD2      LEU   1 -13.974  -6.479  -6.479
   14    H    CYS   2           H        CYS   2  -8.191  -4.984  -4.984
   15    HA   CYS   2           HA       CYS   2  -8.128  -3.310  -3.310
   16   1HB   CYS   2          1HB       CYS   2  -5.706  -4.563  -4.563
   17   2HB   CYS   2          2HB       CYS   2  -5.879  -2.972  -2.972
   18    H    ASN   3           H        ASN   3  -8.778  -4.069  -4.069
   19    HA   ASN   3           HA       ASN   3  -7.869  -6.681  -6.681
   20   1HB   ASN   3          1HB       ASN   3  -9.121  -4.542  -4.542
   21   2HB   ASN   3          2HB       ASN   3  -8.961  -6.245  -6.245
   22   1HD2  ASN   3          2HD2      ASN   3 -10.150  -5.852  -5.852
   23   2HD2  ASN   3          1HD2      ASN   3 -11.808  -6.103  -6.103
   24    H    GLU   4           H        GLU   4  -5.604  -6.545  -6.545
   25    HA   GLU   4           HA       GLU   4  -4.109  -4.456  -4.456
   26   1HB   GLU   4          1HB       GLU   4  -3.162  -5.663  -5.663
   27   2HB   GLU   4          2HB       GLU   4  -3.444  -7.224  -7.224
   28   1HG   GLU   4          1HG       GLU   4  -1.925  -6.739  -6.739
   29   2HG   GLU   4          2HG       GLU   4  -1.649  -5.063  -5.063
   30    H    ARG   5           H        ARG   5  -3.847  -4.340  -4.340
   31    HA   ARG   5           HA       ARG   5  -4.413  -6.662  -6.662
   32   1HB   ARG   5          1HB       ARG   5  -6.343  -5.046  -5.046
   33   2HB   ARG   5          2HB       ARG   5  -5.310  -3.815  -3.815
   34   1HG   ARG   5          1HG       ARG   5  -5.222  -5.379  -5.379
   35   2HG   ARG   5          2HG       ARG   5  -6.506  -6.333  -6.333
   36   1HD   ARG   5          1HD       ARG   5  -6.517  -3.422  -3.422
   37   2HD   ARG   5          2HD       ARG   5  -7.340  -4.759  -4.759
   38   1HH1  ARG   5          1HH1      ARG   5  -8.189  -2.461  -2.461
   39   2HH1  ARG   5          2HH1      ARG   5  -9.392  -1.373  -1.373
   40   1HH2  ARG   5          1HH2      ARG   5 -10.210  -3.445  -3.445
   41   2HH2  ARG   5          2HH2      ARG   5 -10.607  -1.996  -1.996
   42    HA   PRO   6           HA       PRO   6  -0.485  -5.212  -5.212
   43   1HB   PRO   6          1HB       PRO   6  -0.353  -6.483  -6.483
   44   2HB   PRO   6          2HB       PRO   6  -0.215  -7.321  -7.321
   45   1HG   PRO   6          1HG       PRO   6  -2.689  -7.005  -7.005
   46   2HG   PRO   6          2HG       PRO   6  -2.047  -8.510  -8.510
   47   1HD   PRO   6          1HD       PRO   6  -4.039  -7.112  -7.112
   48   2HD   PRO   6          2HD       PRO   6  -2.760  -7.820  -7.820
   49    H    SER   7           H        SER   7   0.546  -4.227  -4.227
   50    HA   SER   7           HA       SER   7  -0.455  -1.685  -1.685
   51   1HB   SER   7          1HB       SER   7   1.224  -1.794  -1.794
   52   2HB   SER   7          2HB       SER   7   1.869  -2.124  -2.124
   53    HG   SER   7           HG       SER   7   0.985  -4.111  -4.111
   54    H    GLN   8           H        GLN   8  -2.447  -1.439  -1.439
   55    HA   GLN   8           HA       GLN   8  -2.965  -2.578  -2.578
   56   1HB   GLN   8          1HB       GLN   8  -4.706  -1.014  -1.014
   57   2HB   GLN   8          2HB       GLN   8  -5.161  -1.486  -1.486
   58   1HG   GLN   8          1HG       GLN   8  -4.701  -3.909  -3.909
   59   2HG   GLN   8          2HG       GLN   8  -4.563  -3.316  -3.316
   60   1HE2  GLN   8          2HE2      GLN   8  -6.768  -4.169  -4.169
   61   2HE2  GLN   8          1HE2      GLN   8  -8.242  -3.762  -3.762
   62    H    THR   9           H        THR   9  -3.136   0.587   0.587
   63    HA   THR   9           HA       THR   9  -3.349   2.175   2.175
   64    HB   THR   9           HB       THR   9  -2.789   3.920   3.920
   65    HG1  THR   9           HG1      THR   9  -2.843   3.061   3.061
   66   1HG2  THR   9          3HG2      THR   9  -5.105   3.394   3.394
   67   2HG2  THR   9          1HG2      THR   9  -5.215   2.112   2.112
   68   3HG2  THR   9          2HG2      THR   9  -5.044   3.811   3.811
   69    H    TRP  10           H        TRP  10  -0.900   1.716   1.716
   70    HA   TRP  10           HA       TRP  10   1.239   3.038   3.038
   71   1HB   TRP  10          1HB       TRP  10   0.973   2.739   2.739
   72   2HB   TRP  10          2HB       TRP  10   1.431   1.055   1.055
   73    HD1  TRP  10           HD1      TRP  10   3.983   0.830   0.830
   74    HE1  TRP  10           HE1      TRP  10   6.095   2.330   2.330
   75    HE3  TRP  10           HE3      TRP  10   1.874   4.861   4.861
   76    HZ2  TRP  10           HZ2      TRP  10   6.728   4.925   4.925
   77    HZ3  TRP  10           HZ3      TRP  10   3.182   6.854   6.854
   78    HH2  TRP  10           HH2      TRP  10   5.682   6.876   6.876
   79    H    SER  11           H        SER  11   0.605   1.696   1.696
   80    HA   SER  11           HA       SER  11   1.180  -1.065  -1.065
   81   1HB   SER  11          1HB       SER  11   1.102   0.603   0.603
   82   2HB   SER  11          2HB       SER  11   0.507  -1.047  -1.047
   83    HG   SER  11           HG       SER  11  -1.104  -0.019  -0.019
   84    H    GLY  12           H        GLY  12   3.392  -0.737  -0.737
   85   1HA   GLY  12          1HA       GLY  12   5.366  -1.706  -1.706
   86   2HA   GLY  12          2HA       GLY  12   5.651   0.021   0.021
   87    H    ASN  13           H        ASN  13   7.478  -0.101  -0.101
   88    HA   ASN  13           HA       ASN  13   7.494  -1.700  -1.700
   89   1HB   ASN  13          1HB       ASN  13   9.387  -2.026  -2.026
   90   2HB   ASN  13          2HB       ASN  13   9.805  -0.316  -0.316
   91   1HD2  ASN  13          2HD2      ASN  13  10.454   0.457   0.457
   92   2HD2  ASN  13          1HD2      ASN  13  11.255  -0.748  -0.748
   93    H    CYS  14           H        CYS  14   7.960  -0.581  -0.581
   94    HA   CYS  14           HA       CYS  14   6.811   1.914   1.914
   95   1HB   CYS  14          1HB       CYS  14   7.331   0.110   0.110
   96   2HB   CYS  14          2HB       CYS  14   9.051   0.524   0.524
   97    H    GLY  15           H        GLY  15   7.743   3.883   3.883
   98   1HA   GLY  15          1HA       GLY  15  10.536   4.516   4.516
   99   2HA   GLY  15          2HA       GLY  15   9.184   5.604   5.604
  100    H    ASN  16           H        ASN  16   7.703   5.692   5.692
  101    HA   ASN  16           HA       ASN  16   9.295   5.866   5.866
  102   1HB   ASN  16          1HB       ASN  16   9.436   8.129   8.129
  103   2HB   ASN  16          2HB       ASN  16   7.683   8.298   8.298
  104   1HD2  ASN  16          2HD2      ASN  16  10.291   9.575   9.575
  105   2HD2  ASN  16          1HD2      ASN  16   9.855   9.584   9.584
  106    H    THR  17           H        THR  17   8.106   5.122   5.122
  107    HA   THR  17           HA       THR  17   5.560   4.007   4.007
  108    HB   THR  17           HB       THR  17   7.241   3.053   3.053
  109    HG1  THR  17           HG1      THR  17   4.667   3.463   3.463
  110   1HG2  THR  17          3HG2      THR  17   7.854   5.097   5.097
  111   2HG2  THR  17          1HG2      THR  17   6.244   5.090   5.090
  112   3HG2  THR  17          2HG2      THR  17   7.360   3.745   3.745
  113    H    ALA  18           H        ALA  18   6.497   7.146   7.146
  114    HA   ALA  18           HA       ALA  18   3.925   7.867   7.867
  115   1HB   ALA  18          1HB       ALA  18   5.978   9.184   9.184
  116   2HB   ALA  18          2HB       ALA  18   6.055   9.609   9.609
  117   3HB   ALA  18          3HB       ALA  18   4.698  10.174  10.174
  118    H    HIS  19           H        HIS  19   5.418   8.104   8.104
  119    HA   HIS  19           HA       HIS  19   3.135   9.336   9.336
  120   1HB   HIS  19          1HB       HIS  19   5.521   9.335   9.335
  121   2HB   HIS  19          2HB       HIS  19   5.258   7.690   7.690
  122    HD1  HIS  19           HD1      HIS  19   6.005   9.260   9.260
  123    HD2  HIS  19           HD2      HIS  19   2.090   9.592   9.592
  124    HE1  HIS  19           HE1      HIS  19   4.474   9.935   9.935
  125    H    CYS  20           H        CYS  20   4.250   5.922   5.922
  126    HA   CYS  20           HA       CYS  20   2.195   4.595   4.595
  127   1HB   CYS  20          1HB       CYS  20   3.972   3.317   3.317
  128   2HB   CYS  20          2HB       CYS  20   3.489   3.865   3.865
  129    H    ASP  21           H        ASP  21   2.161   5.720   5.720
  130    HA   ASP  21           HA       ASP  21  -0.490   4.860   4.860
  131   1HB   ASP  21          1HB       ASP  21   1.028   5.441   5.441
  132   2HB   ASP  21          2HB       ASP  21   1.229   7.090   7.090
  133    H    LYS  22           H        LYS  22   0.738   8.028   8.028
  134    HA   LYS  22           HA       LYS  22  -1.782   9.314   9.314
  135   1HB   LYS  22          1HB       LYS  22   0.481   9.567   9.567
  136   2HB   LYS  22          2HB       LYS  22  -0.950  10.589  10.589
  137   1HG   LYS  22          1HG       LYS  22  -0.243  10.976  10.976
  138   2HG   LYS  22          2HG       LYS  22   1.243  10.164  10.164
  139   1HD   LYS  22          1HD       LYS  22   1.525  12.616  12.616
  140   2HD   LYS  22          2HD       LYS  22   1.864  11.869  11.869
  141   1HE   LYS  22          1HE       LYS  22   0.574  14.036  14.036
  142   2HE   LYS  22          2HE       LYS  22  -0.164  12.692  12.692
  143   1HZ   LYS  22          1HZ       LYS  22  -1.583  14.171  14.171
  144   2HZ   LYS  22          2HZ       LYS  22  -1.836  12.509  12.509
  145    H    GLN  23           H        GLN  23  -0.098   7.267   7.267
  146    HA   GLN  23           HA       GLN  23  -2.464   7.318   7.318
  147   1HB   GLN  23          1HB       GLN  23  -0.113   5.560   5.560
  148   2HB   GLN  23          2HB       GLN  23  -1.369   6.097   6.097
  149   1HG   GLN  23          1HG       GLN  23  -0.615   8.511   8.511
  150   2HG   GLN  23          2HG       GLN  23   0.827   7.750   7.750
  151   1HE2  GLN  23          2HE2      GLN  23   0.502   5.623   5.623
  152   2HE2  GLN  23          1HE2      GLN  23   1.228   6.487   6.487
  153    H    CYS  24           H        CYS  24  -2.919   6.171   6.171
  154    HA   CYS  24           HA       CYS  24  -4.282   3.662   3.662
  155   1HB   CYS  24          1HB       CYS  24  -2.676   4.139   4.139
  156   2HB   CYS  24          2HB       CYS  24  -3.905   2.886   2.886
  157    H    GLN  25           H        GLN  25  -3.862   6.225   6.225
  158    HA   GLN  25           HA       GLN  25  -6.646   6.152   6.152
  159   1HB   GLN  25          1HB       GLN  25  -4.531   8.309   8.309
  160   2HB   GLN  25          2HB       GLN  25  -6.106   8.200   8.200
  161   1HG   GLN  25          1HG       GLN  25  -5.443   6.067   6.067
  162   2HG   GLN  25          2HG       GLN  25  -3.858   6.167   6.167
  163   1HE2  GLN  25          2HE2      GLN  25  -5.212   6.597   6.597
  164   2HE2  GLN  25          1HE2      GLN  25  -4.252   7.936   7.936
  165    H    ASP  26           H        ASP  26  -4.670   8.406   8.406
  166    HA   ASP  26           HA       ASP  26  -6.915  10.228  10.228
  167   1HB   ASP  26          1HB       ASP  26  -4.217  10.026  10.026
  168   2HB   ASP  26          2HB       ASP  26  -5.431  11.229  11.229
  169    H    TRP  27           H        TRP  27  -5.196   7.883   7.883
  170    HA   TRP  27           HA       TRP  27  -6.937   8.182   8.182
  171   1HB   TRP  27          1HB       TRP  27  -4.837   6.108   6.108
  172   2HB   TRP  27          2HB       TRP  27  -5.759   6.081   6.081
  173    HD1  TRP  27           HD1      TRP  27  -4.242   9.318   9.318
  174    HE1  TRP  27           HE1      TRP  27  -2.368  10.105  10.105
  175    HE3  TRP  27           HE3      TRP  27  -4.336   5.479   5.479
  176    HZ2  TRP  27           HZ2      TRP  27  -0.991   9.113   9.113
  177    HZ3  TRP  27           HZ3      TRP  27  -2.653   5.347   5.347
  178    HH2  TRP  27           HH2      TRP  27  -0.971   7.127   7.127
  179    H    GLU  28           H        GLU  28  -6.334   5.079   5.079
  180    HA   GLU  28           HA       GLU  28  -8.581   4.093   4.093
  181   1HB   GLU  28          1HB       GLU  28  -6.286   2.967   2.967
  182   2HB   GLU  28          2HB       GLU  28  -7.319   2.433   2.433
  183   1HG   GLU  28          1HG       GLU  28  -7.704   1.948   1.948
  184   2HG   GLU  28          2HG       GLU  28  -7.203   0.752   0.752
  185    H    LYS  29           H        LYS  29  -7.991   4.540   4.540
  186    HA   LYS  29           HA       LYS  29  -9.372   5.852   5.852
  187   1HB   LYS  29          1HB       LYS  29 -11.695   4.099   4.099
  188   2HB   LYS  29          2HB       LYS  29 -11.654   5.338   5.338
  189   1HG   LYS  29          1HG       LYS  29 -11.072   6.012   6.012
  190   2HG   LYS  29          2HG       LYS  29 -12.670   6.066   6.066
  191   1HD   LYS  29          1HD       LYS  29 -12.004   7.778   7.778
  192   2HD   LYS  29          2HD       LYS  29 -10.308   7.695   7.695
  193   1HE   LYS  29          1HE       LYS  29 -12.563   8.385   8.385
  194   2HE   LYS  29          2HE       LYS  29 -11.667   9.601   9.601
  195   1HZ   LYS  29          1HZ       LYS  29 -10.352   7.668   7.668
  196   2HZ   LYS  29          2HZ       LYS  29 -10.820   9.215   9.215
  197    H    ALA  30           H        ALA  30  -7.502   4.299   4.299
  198    HA   ALA  30           HA       ALA  30  -8.419   2.056   2.056
  199   1HB   ALA  30          1HB       ALA  30  -6.334   2.076   2.076
  200   2HB   ALA  30          2HB       ALA  30  -5.666   3.279   3.279
  201   3HB   ALA  30          3HB       ALA  30  -6.054   1.645   1.645
  202    H    SER  31           H        SER  31  -7.776   1.840   1.840
  203    HA   SER  31           HA       SER  31  -8.125   4.090   4.090
  204   1HB   SER  31          1HB       SER  31  -6.800   1.419   1.419
  205   2HB   SER  31          2HB       SER  31  -7.536   2.508   2.508
  206    HG   SER  31           HG       SER  31  -9.534   2.165   2.165
  207    H    HIS  32           H        HIS  32  -5.290   2.271   2.271
  208    HA   HIS  32           HA       HIS  32  -3.790   4.674   4.674
  209   1HB   HIS  32          1HB       HIS  32  -2.046   4.400   4.400
  210   2HB   HIS  32          2HB       HIS  32  -3.456   4.034   4.034
  211    HD1  HIS  32           HD1      HIS  32  -0.082   2.776   2.776
  212    HD2  HIS  32           HD2      HIS  32  -3.862   1.156   1.156
  213    HE1  HIS  32           HE1      HIS  32   0.286   0.376   0.376
  214    H    GLY  33           H        GLY  33  -1.393   4.060   4.060
  215   1HA   GLY  33          1HA       GLY  33  -1.267   1.435   1.435
  216   2HA   GLY  33          2HA       GLY  33  -0.610   2.799   2.799
  217    H    ALA  34           H        ALA  34   0.970   0.638   0.638
  218    HA   ALA  34           HA       ALA  34   3.147   1.879   1.879
  219   1HB   ALA  34          1HB       ALA  34   1.961  -0.614  -0.614
  220   2HB   ALA  34          2HB       ALA  34   3.557   0.063   0.063
  221   3HB   ALA  34          3HB       ALA  34   2.100   0.999   0.999
  222    H    CYS  35           H        CYS  35   5.083   1.139   1.139
  223    HA   CYS  35           HA       CYS  35   4.847  -0.760  -0.760
  224   1HB   CYS  35          1HB       CYS  35   7.127   0.859   0.859
  225   2HB   CYS  35          2HB       CYS  35   7.293  -0.286  -0.286
  226    H    HIS  36           H        HIS  36   5.805  -2.846  -2.846
  227    HA   HIS  36           HA       HIS  36   7.365  -3.878  -3.878
  228   1HB   HIS  36          1HB       HIS  36   5.310  -5.616  -5.616
  229   2HB   HIS  36          2HB       HIS  36   6.196  -5.880  -5.880
  230    HD1  HIS  36           HD1      HIS  36   5.410  -3.090  -3.090
  231    HD2  HIS  36           HD2      HIS  36   2.905  -5.603  -5.603
  232    HE1  HIS  36           HE1      HIS  36   3.077  -2.874  -2.874
  233    H    LYS  37           H        LYS  37   8.904  -5.449  -5.449
  234    HA   LYS  37           HA       LYS  37   9.301  -5.827  -5.827
  235   1HB   LYS  37          1HB       LYS  37  11.164  -5.362  -5.362
  236   2HB   LYS  37          2HB       LYS  37  10.927  -6.886  -6.886
  237   1HG   LYS  37          1HG       LYS  37  11.081  -7.811  -7.811
  238   2HG   LYS  37          2HG       LYS  37  11.726  -6.256  -6.256
  239   1HD   LYS  37          1HD       LYS  37  13.012  -7.726  -7.726
  240   2HD   LYS  37          2HD       LYS  37  13.213  -8.432  -8.432
  241   1HE   LYS  37          1HE       LYS  37  13.940  -5.955  -5.955
  242   2HE   LYS  37          2HE       LYS  37  14.242  -5.805  -5.805
  243   1HZ   LYS  37          1HZ       LYS  37  15.292  -8.204  -8.204
  244   2HZ   LYS  37          2HZ       LYS  37  15.910  -6.814  -6.814
  245    H    ARG  38           H        ARG  38   8.553  -7.503  -7.503
  246    HA   ARG  38           HA       ARG  38   7.989 -10.087 -10.087
  247   1HB   ARG  38          1HB       ARG  38   6.015  -8.089  -8.089
  248   2HB   ARG  38          2HB       ARG  38   5.818  -9.579  -9.579
  249   1HG   ARG  38          1HG       ARG  38   5.958  -9.491  -9.491
  250   2HG   ARG  38          2HG       ARG  38   4.446  -9.397  -9.397
  251   1HD   ARG  38          1HD       ARG  38   4.934 -11.556 -11.556
  252   2HD   ARG  38          2HD       ARG  38   6.439 -11.700 -11.700
  253   1HH1  ARG  38          1HH1      ARG  38   5.609 -13.718 -13.718
  254   2HH1  ARG  38          2HH1      ARG  38   4.981 -15.103 -15.103
  255   1HH2  ARG  38          1HH2      ARG  38   3.408 -13.189 -13.189
  256   2HH2  ARG  38          2HH2      ARG  38   3.703 -14.789 -14.789
  257    H    GLU  39           H        GLU  39   8.719 -11.714 -11.714
  258    HA   GLU  39           HA       GLU  39  10.058 -12.595 -12.595
  259   1HB   GLU  39          1HB       GLU  39   7.930 -11.359 -11.359
  260   2HB   GLU  39          2HB       GLU  39   9.110 -12.584 -12.584
  261   1HG   GLU  39          1HG       GLU  39   7.105 -13.771 -13.771
  262   2HG   GLU  39          2HG       GLU  39   8.215 -14.129 -14.129
  263    H    ASN  40           H        ASN  40  11.169 -10.394 -10.394
  264    HA   ASN  40           HA       ASN  40  12.628  -8.767  -8.767
  265   1HB   ASN  40          1HB       ASN  40  13.631 -10.730 -10.730
  266   2HB   ASN  40          2HB       ASN  40  13.192  -9.794  -9.794
  267   1HD2  ASN  40          2HD2      ASN  40  15.359  -9.260  -9.260
  268   2HD2  ASN  40          1HD2      ASN  40  16.443  -8.291  -8.291
  269    H    HIS  41           H        HIS  41   9.849  -8.228  -8.228
  270    HA   HIS  41           HA       HIS  41  10.658  -5.760  -5.760
  271   1HB   HIS  41          1HB       HIS  41   8.232  -7.533  -7.533
  272   2HB   HIS  41          2HB       HIS  41   8.350  -5.943  -5.943
  273    HD1  HIS  41           HD1      HIS  41  10.774  -5.715  -5.715
  274    HD2  HIS  41           HD2      HIS  41   9.196  -9.546  -9.546
  275    HE1  HIS  41           HE1      HIS  41  11.894  -7.353  -7.353
  276    H    TRP  42           H        TRP  42  10.173  -3.897  -3.897
  277    HA   TRP  42           HA       TRP  42   8.730  -4.073  -4.073
  278   1HB   TRP  42          1HB       TRP  42  10.231  -1.882  -1.882
  279   2HB   TRP  42          2HB       TRP  42   9.158  -1.605  -1.605
  280    HD1  TRP  42           HD1      TRP  42  12.366  -3.477  -3.477
  281    HE1  TRP  42           HE1      TRP  42  13.657  -3.866  -3.866
  282    HE3  TRP  42           HE3      TRP  42   8.780  -2.049  -2.049
  283    HZ2  TRP  42           HZ2      TRP  42  13.080  -3.821  -3.821
  284    HZ3  TRP  42           HZ3      TRP  42   9.182  -2.139  -2.139
  285    HH2  TRP  42           HH2      TRP  42  11.299  -3.094  -3.094
  286    H    LYS  43           H        LYS  43   6.531  -4.405  -4.405
  287    HA   LYS  43           HA       LYS  43   5.156  -2.850  -2.850
  288   1HB   LYS  43          1HB       LYS  43   3.778  -4.741  -4.741
  289   2HB   LYS  43          2HB       LYS  43   3.366  -4.318  -4.318
  290   1HG   LYS  43          1HG       LYS  43   5.600  -6.020  -6.020
  291   2HG   LYS  43          2HG       LYS  43   4.311  -6.617  -6.617
  292   1HD   LYS  43          1HD       LYS  43   6.428  -4.798  -4.798
  293   2HD   LYS  43          2HD       LYS  43   6.289  -6.543  -6.543
  294   1HE   LYS  43          1HE       LYS  43   5.473  -5.753  -5.753
  295   2HE   LYS  43          2HE       LYS  43   4.056  -6.301  -6.301
  296   1HZ   LYS  43          1HZ       LYS  43   4.532  -3.849  -3.849
  297   2HZ   LYS  43          2HZ       LYS  43   3.185  -4.315  -4.315
  298    H    CYS  44           H        CYS  44   3.960  -1.116  -1.116
  299    HA   CYS  44           HA       CYS  44   3.544  -0.152  -0.152
  300   1HB   CYS  44          1HB       CYS  44   3.695   1.479   1.479
  301   2HB   CYS  44          2HB       CYS  44   2.606   0.623   0.623
  302    H    PHE  45           H        PHE  45   2.224  -1.395  -1.395
  303    HA   PHE  45           HA       PHE  45  -0.138  -2.759  -2.759
  304   1HB   PHE  45          1HB       PHE  45   1.439  -3.077  -3.077
  305   2HB   PHE  45          2HB       PHE  45  -0.248  -3.494  -3.494
  306    HD1  PHE  45           HD1      PHE  45   2.820  -4.234  -4.234
  307    HD2  PHE  45           HD2      PHE  45  -1.049  -5.566  -5.566
  308    HE1  PHE  45           HE1      PHE  45   3.357  -6.561  -6.561
  309    HE2  PHE  45           HE2      PHE  45  -0.534  -7.865  -7.865
  310    HZ   PHE  45           HZ       PHE  45   1.673  -8.360  -8.360
  311    H    CYS  46           H        CYS  46  -2.178  -2.281  -2.281
  312    HA   CYS  46           HA       CYS  46  -2.618   0.282   0.282
  313   1HB   CYS  46          1HB       CYS  46  -4.221  -1.035  -1.035
  314   2HB   CYS  46          2HB       CYS  46  -4.686   0.410   0.410
  315    H    TYR  47           H        TYR  47  -4.426   0.284   0.284
  316    HA   TYR  47           HA       TYR  47  -5.220  -2.419  -2.419
  317   1HB   TYR  47          1HB       TYR  47  -4.140   0.080   0.080
  318   2HB   TYR  47          2HB       TYR  47  -4.895  -1.198  -1.198
  319    HD1  TYR  47           HD1      TYR  47  -1.960  -0.396  -0.396
  320    HD2  TYR  47           HD2      TYR  47  -3.753  -3.208  -3.208
  321    HE1  TYR  47           HE1      TYR  47   0.203  -1.566  -1.566
  322    HE2  TYR  47           HE2      TYR  47  -1.546  -4.249  -4.249
  323    HH   TYR  47           HH       TYR  47   0.585  -4.426  -4.426
  324    H    PHE  48           H        PHE  48  -7.515  -2.375  -2.375
  325    HA   PHE  48           HA       PHE  48  -8.921   0.210   0.210
  326   1HB   PHE  48          1HB       PHE  48  -9.657  -2.477  -2.477
  327   2HB   PHE  48          2HB       PHE  48 -10.626  -1.046  -1.046
  328    HD1  PHE  48           HD1      PHE  48  -7.465  -2.549  -2.549
  329    HD2  PHE  48           HD2      PHE  48 -10.278   0.723   0.723
  330    HE1  PHE  48           HE1      PHE  48  -6.330  -1.760  -1.760
  331    HE2  PHE  48           HE2      PHE  48  -9.136   1.484   1.484
  332    HZ   PHE  48           HZ       PHE  48  -7.120   0.262   0.262
  333    H    ASN  49           H        ASN  49 -11.245  -0.236  -0.236
  334    HA   ASN  49           HA       ASN  49 -12.646  -0.619  -0.619
  335   1HB   ASN  49          1HB       ASN  49 -11.851  -3.459  -3.459
  336   2HB   ASN  49          2HB       ASN  49 -13.366  -2.967  -2.967
  337   1HD2  ASN  49          2HD2      ASN  49 -12.628  -4.232  -4.232
  338   2HD2  ASN  49          1HD2      ASN  49 -13.567  -3.218  -3.218
  339    H    CYS  50           H        CYS  50  -9.906  -0.150  -0.150
  340    HA   CYS  50           HA       CYS  50  -9.298  -2.311  -2.311
  341   1HB   CYS  50          1HB       CYS  50  -7.639  -1.016  -1.016
  342   2HB   CYS  50          2HB       CYS  50  -8.174   0.418   0.418