*HEADER    VIRAL PROTEIN/DNA                       08-NOV-05   2EXF              
*TITLE     SOLUTION STRUCTURE OF THE HIV-1 NUCLEOCAPSID (NCP7(12-55))            
*TITLE    2 COMPLEXED WITH THE DNA (-) PRIMER BINDING SITE                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEOCAPSID PROTEIN* (NC*);                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*C)-           
*COMPND   7 3';                                                                  
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES;                                                     
*COMPND  10 OTHER_DETAILS: DNA (-) PRIMER BINDING SITE                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED BY SOLID PHASE;                
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: THE SEQUENCE IS NATURALLY FOUND IN HUMAN              
*SOURCE   7 IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1)                                
*KEYWDS    PROTEIN-DNA COMPLEX, STEM-LOOP, BULGE, ZINC-FINGER                    
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.BOURBIGOT, S.BOUAZIZ, N.MORELLET                                    
*REVDAT   1   24-APR-07 2EXF    0                                                


#NOE_distance
!
!PROTEIN NOE
!NOE intraresidue
!
1:ASNN_12:HN*      1:ASNN_12:HA        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ASNN_12:HN*      1:ASNN_12:HB1       1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ASNN_12:HN*      1:ASNN_12:HB2       1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HN        1:VAL_13:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HN        1:VAL_13:HB         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HB        1:VAL_13:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HB        1:VAL_13:HG1*       1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HB        1:VAL_13:HG2*       1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:VAL_13:HA         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG2*      1:VAL_13:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:VAL_13:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG2*      1:VAL_13:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HN        1:LYS_14:HG*        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HN        1:LYS_14:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HN        1:LYS_14:HB2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HN        1:LYS_14:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HG*       1:LYS_14:HA         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HG*       1:LYS_14:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HG*       1:LYS_14:HB2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HG*       1:LYS_14:HE*        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HB1       1:LYS_14:HE*        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HB2       1:LYS_14:HE*        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HN        1:CYS_15:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:CYS_15:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB1       1:CYS_15:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:CYS_15:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB1       1:CYS_15:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HA        1:PHE_16:HD*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HN        1:PHE_16:HD*        1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB1       1:PHE_16:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB2       1:PHE_16:HN         1.800  3.500  3.500 20.00 20.00 1000.000  0.00
1:PHE_16:HB1       1:PHE_16:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB2       1:PHE_16:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:PHE_16:HB1        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:PHE_16:HB2        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HA        1:ASN_17:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HB*       1:ASN_17:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HA        1:CYS_18:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HB1       1:CYS_18:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HB2       1:CYS_18:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HB1       1:CYS_18:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HB2       1:CYS_18:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_19:HA1       1:GLY_19:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_19:HA2       1:GLY_19:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HA        1:LYS_20:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HA        1:LYS_20:HB2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HA        1:LYS_20:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HN        1:LYS_20:HG1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HN        1:LYS_20:HG2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HA        1:LYS_20:HG1        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HA        1:LYS_20:HG2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HB2       1:LYS_20:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HB1       1:LYS_20:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HN        1:GLU_21:HG1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HN        1:GLU_21:HG2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HN        1:GLU_21:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HB1       1:GLU_21:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HB2       1:GLU_21:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_22:HA2       1:GLY_22:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_22:HA1       1:GLY_22:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB1      1:HISD_23:HN        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB2      1:HISD_23:HN        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HA       1:HISD_23:HN        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:HISD_23:HB1       1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:HISD_23:HB2       1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HN        1:THR_24:HG2*       1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HN        1:THR_24:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:THR_24:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HN        1:ALA_25:HB*        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HA        1:ALA_25:HB*        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HN        1:ARG_26:HG2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HN        1:ARG_26:HG1        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HN        1:ARG_26:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HB*       1:ARG_26:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HB*       1:ARG_26:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_27:HA        1:ASN_27:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_27:HB1       1:ASN_27:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_27:HB2       1:ASN_27:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_28:HB2       1:CYS_28:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_28:HB1       1:CYS_28:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_28:HB2       1:CYS_28:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_28:HB1       1:CYS_28:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_28:HN        1:CYS_28:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HN        1:ARG_29:HG*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HA        1:ARG_29:HG*        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HA        1:ARG_29:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HB1       1:ARG_29:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HB2       1:ARG_29:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HB2       1:ARG_29:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HB1       1:ARG_29:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_30:HN        1:ALA_30:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_30:HN        1:ALA_30:HB*        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HN        1:ARG_32:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HN        1:ARG_32:HG*        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HN        1:ARG_32:HD*        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HB*       1:ARG_32:HN         1.800  3.500  3.500 20.00 20.00 1000.000  0.00
1:ARG_32:HB*       1:ARG_32:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HN        1:LYS_33:HG1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HN        1:LYS_33:HG2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB1       1:LYS_33:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB2       1:LYS_33:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB1       1:LYS_33:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB2       1:LYS_33:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HN        1:LYS_33:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HN        1:LYS_34:HG*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HN        1:LYS_34:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HB*       1:LYS_34:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HB*       1:LYS_34:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA1       1:GLY_35:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA2       1:GLY_35:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HN        1:CYS_36:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB1       1:CYS_36:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB2       1:CYS_36:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB1       1:CYS_36:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB2       1:CYS_36:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HA        1:TRP_37:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HB1       1:TRP_37:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HB2       1:TRP_37:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HA        1:TRP_37:HD1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HB1       1:TRP_37:HD1        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HB2       1:TRP_37:HD1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:LYS_38:HG*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:LYS_38:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HB2       1:LYS_38:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HB1       1:LYS_38:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HA        1:CYS_39:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB2       1:CYS_39:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB1       1:CYS_39:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB2       1:CYS_39:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB1       1:CYS_39:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_40:HN        1:GLY_40:HA1        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_40:HN        1:GLY_40:HA2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HN        1:LYS_41:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HN        1:LYS_41:HG1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HN        1:LYS_41:HG2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HB*       1:LYS_41:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HB*       1:LYS_41:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HN        1:GLU_42:HG*        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HN        1:GLU_42:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HB2       1:GLU_42:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HB2       1:GLU_42:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HB1       1:GLU_42:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HG*       1:GLU_42:HA         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HB1       1:GLU_42:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_43:HA1       1:GLY_43:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_43:HA2       1:GLY_43:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HB*      1:HISD_44:HN        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HB*      1:HISD_44:HA        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:HISD_44:HB*       1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HN        1:GLN_45:HG*        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HA        1:GLN_45:HB*        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HB*       1:GLN_45:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HB*       1:GLN_45:HG*        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HA        1:GLN_45:HG*        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HN        1:MET_46:HG*        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HN        1:MET_46:HB2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HN        1:MET_46:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HA        1:MET_46:HB2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HA        1:MET_46:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HN        1:LYS_47:HG1        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HN        1:LYS_47:HG2        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HN        1:LYS_47:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HB2       1:LYS_47:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HB1       1:LYS_47:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HB1       1:LYS_47:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HB2       1:LYS_47:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HN        1:ASP_48:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HB2       1:ASP_48:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HB1       1:ASP_48:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HB1       1:ASP_48:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HB2       1:ASP_48:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB2       1:CYS_49:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB2       1:CYS_49:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB1       1:CYS_49:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB1       1:CYS_49:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HN        1:CYS_49:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HN        1:THR_50:HG2*       1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HN        1:THR_50:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HN        1:THR_50:HB         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HB        1:THR_50:HG2*       1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HN        1:GLU_51:HB1        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HN        1:GLU_51:HB2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HN        1:GLU_51:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HN        1:GLU_51:HG1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HN        1:GLU_51:HG2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HB1       1:GLU_51:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HB2       1:GLU_51:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HG1       1:GLU_51:HA         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HG2       1:GLU_51:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HN        1:ARG_52:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HN        1:ARG_52:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HN        1:ARG_52:HB2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HA        1:ARG_52:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HA        1:ARG_52:HB2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HN        1:ARG_52:HG*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_53:HN        1:GLN_53:HB*        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_53:HN        1:GLN_53:HG2        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_53:HN        1:GLN_53:HG1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_53:HA        1:GLN_53:HG2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_53:HA        1:GLN_53:HG1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_53:HA        1:GLN_53:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASNC_55:HN       1:ASNC_55:HA        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASNC_55:HN       1:ASNC_55:HB*       1.800  3.500  3.000 20.00 20.00 1000.000  0.00
!
!sequential NOE
!
1:ASNN_12:HA       1:VAL_13:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ASNN_12:HB1      1:VAL_13:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ASNN_12:HB2      1:VAL_13:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HN        1:LYS_14:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HA        1:LYS_14:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HA        1:LYS_14:HG*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HB        1:LYS_14:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:LYS_14:HN         1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG2*      1:LYS_14:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ASNN_12:HA       1:VAL_13:HG1*       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HA        1:CYS_15:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HB1       1:CYS_15:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HB2       1:CYS_15:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HG*       1:CYS_15:HN         1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HA        1:PHE_16:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:PHE_16:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB1       1:PHE_16:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HN        1:ASN_17:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HN        1:CYS_18:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HB*       1:CYS_18:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HN        1:GLY_19:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HA        1:GLY_19:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_19:HN        1:LYS_20:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_19:HA1       1:LYS_20:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_19:HA2       1:LYS_20:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HN        1:GLU_21:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HA        1:GLU_21:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HB2       1:GLU_21:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HB1       1:GLU_21:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HG1       1:GLU_21:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HG2       1:GLU_21:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HN        1:GLY_22:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HA        1:GLY_22:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HB1       1:GLY_22:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HB2       1:GLY_22:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HG1       1:GLY_22:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HG2       1:GLY_22:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_22:HN        1:HISD_23:HN        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_22:HA1       1:HISD_23:HN        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_22:HA2       1:HISD_23:HN        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HN       1:THR_24:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB1      1:THR_24:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB2      1:THR_24:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:THR_24:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HN        1:ALA_25:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HA        1:ALA_25:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HB        1:ALA_25:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:ALA_25:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HN        1:ARG_26:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HA        1:ARG_26:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:ARG_26:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HA        1:ASN_27:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HB*       1:ASN_27:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HG2       1:ASN_27:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HG1       1:ASN_27:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_27:HN        1:CYS_28:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_27:HA        1:CYS_28:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_27:HB1       1:CYS_28:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_27:HB2       1:CYS_28:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_28:HN        1:ARG_29:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HA        1:ALA_30:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HB1       1:ALA_30:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HB2       1:ALA_30:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_29:HG*       1:ALA_30:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_30:HA        1:PRO_31:HD1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_30:HA        1:PRO_31:HD2        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_30:HB*       1:PRO_31:HD2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_30:HB*       1:PRO_31:HD1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:PRO_31:HA        1:ARG_32:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:PRO_31:HB1       1:ARG_32:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:PRO_31:HB2       1:ARG_32:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HN        1:LYS_33:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HA        1:LYS_33:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HB*       1:LYS_33:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HG*       1:LYS_33:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HN        1:LYS_34:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HA        1:LYS_34:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HN        1:GLY_35:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HA        1:GLY_35:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HB*       1:GLY_35:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_34:HG*       1:GLY_35:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA1       1:CYS_36:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA2       1:CYS_36:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HN        1:TRP_37:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HA        1:TRP_37:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HN        1:LYS_38:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HB1       1:LYS_38:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HB2       1:LYS_38:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:CYS_39:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HA        1:CYS_39:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HB2       1:CYS_39:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HB1       1:CYS_39:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HG*       1:CYS_39:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HN        1:GLY_40:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB2       1:GLY_40:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HA        1:GLY_40:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB1       1:GLY_40:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_40:HN        1:LYS_41:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_40:HA1       1:LYS_41:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_40:HA2       1:LYS_41:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HA        1:GLU_42:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HB*       1:GLU_42:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HG1       1:GLU_42:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HG2       1:GLU_42:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HA        1:GLY_43:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HN        1:GLY_43:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HB1       1:GLY_43:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HB2       1:GLY_43:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HG*       1:GLY_43:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_43:HN        1:HISD_44:HN        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_43:HA1       1:HISD_44:HN        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_43:HA2       1:HISD_44:HN        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HN       1:GLN_45:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HB*      1:GLN_45:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:GLN_45:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HA       1:GLN_45:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:GLN_45:HA         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HN        1:MET_46:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HB*       1:MET_46:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HG*       1:MET_46:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HN        1:LYS_47:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HB2       1:LYS_47:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HB1       1:LYS_47:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HG*       1:LYS_47:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HN        1:ASP_48:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HA        1:ASP_48:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HB2       1:ASP_48:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HB1       1:ASP_48:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HG1       1:ASP_48:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HG2       1:ASP_48:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HN        1:CYS_49:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HB2       1:CYS_49:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASP_48:HB1       1:CYS_49:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HN        1:THR_50:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HA        1:THR_50:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB1       1:THR_50:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB2       1:THR_50:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HN        1:GLU_51:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HA        1:GLU_51:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HB        1:GLU_51:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:THR_50:HG2*      1:GLU_51:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HN        1:ARG_52:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HA        1:ARG_52:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HB1       1:ARG_52:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HB2       1:ARG_52:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HG1       1:ARG_52:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_51:HG2       1:ARG_52:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HA        1:GLN_53:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HN        1:GLN_53:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HB1       1:GLN_53:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HB2       1:GLN_53:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_52:HG*       1:GLN_53:HN         1.800  5.500  3.000 20.00 20.00 1000.000  0.00
!
!NOE (i;i+2)
!
1:VAL_13:HG1*      1:CYS_15:HN         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HN        1:GLY_19:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HB*       1:GLY_19:HN         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HN        1:LYS_20:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLU_21:HA        1:HISD_23:HN        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:ALA_25:HA         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HN        1:CYS_28:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ARG_26:HA        1:CYS_28:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB2       1:LYS_38:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:GLY_40:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HN        1:HISD_44:HE1       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLU_42:HA        1:HISD_44:HN        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HA        1:LYS_47:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HB*       1:LYS_47:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HN        1:CYS_49:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HA        1:CYS_49:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HA        1:GLU_51:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB2       1:GLU_51:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HB1       1:GLU_51:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
!
!NOE (i;i+3)
!
1:CYS_15:HB1       1:CYS_18:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:CYS_18:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HB2       1:HISD_23:HE1       1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HB1       1:HISD_23:HE1       1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HG2       1:HISD_23:HE1       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HG1       1:HISD_23:HE1       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_20:HA        1:HISD_23:HE1       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HN        1:ASN_27:HB1        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HN        1:ASN_27:HB2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:ASN_27:HN         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HA        1:CYS_28:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HA        1:CYS_28:HB2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HA        1:CYS_28:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:CYS_28:HB2        1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:CYS_28:HB1        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:CYS_28:HN         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB1       1:CYS_39:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB2       1:CYS_39:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HA        1:HISD_44:HE1       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HB*       1:HISD_44:HE1       1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HD*       1:HISD_44:HE1       1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HG2       1:HISD_44:HE1       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HG1       1:HISD_44:HE1       1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_41:HN        1:HISD_44:HE1       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HN        1:ASP_48:HB2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HN        1:ASP_48:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HN        1:ASP_48:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
!
!long range NOE
!
1:VAL_13:HB        1:THR_24:HG2*       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:GLY_22:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:GLY_22:HA1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:GLY_22:HA2        1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:HISD_23:HN        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:THR_24:HA         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG2*      1:THR_24:HA         1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:THR_24:HG2*       1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG2*      1:THR_24:HG2*       1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:THR_24:HB         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG2*      1:THR_24:HB         1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HA        1:GLU_21:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HG*       1:GLU_21:HG1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HG*       1:GLU_21:HG2        1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HA        1:GLU_21:HG1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HA        1:GLU_21:HG2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HB1       1:GLY_19:HA1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_14:HB2       1:GLY_19:HA1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HN        1:GLU_21:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HA        1:THR_24:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HA        1:THR_24:HG2*       1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HA        1:ALA_25:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HA        1:ALA_25:HB*        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:GLY_19:HN         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:LYS_20:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB1       1:HISD_23:HD2       1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:HISD_23:HD2       1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HA        1:HISD_23:HD2       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB1       1:HISD_23:HN        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB2       1:HISD_23:HN        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB1       1:GLY_19:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_15:HB1       1:LYS_20:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HN        1:ALA_25:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HN        1:ALA_25:HB*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:ALA_25:HN         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB2       1:ALA_25:HB*        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB1       1:ALA_25:HB*        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:ALA_25:HB*        1.800  7.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HN        1:ALA_25:HB*        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HB*       1:ALA_25:HB*        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HB*       1:CYS_28:HB2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HB*       1:CYS_28:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD21      1:CYS_28:HB1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD21      1:CYS_28:HB2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD22      1:CYS_28:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD22      1:CYS_28:HB2        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB1      1:ASN_27:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB1      1:ASN_27:HB2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB2      1:ASN_27:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HB2      1:ASN_27:HB2        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:CYS_28:HB2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:CYS_28:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:CYS_28:HA         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:ASN_27:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:ASN_27:HB2        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_23:HD2      1:ASN_27:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HN        1:GLU_42:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HA        1:GLN_45:HB*        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HA        1:MET_46:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB1       1:GLY_40:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB1       1:LYS_41:HN         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB2       1:GLY_40:HN         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB2       1:LYS_41:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB1       1:HISD_44:HD2       1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HB2       1:HISD_44:HD2       1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HA        1:HISD_44:HD2       1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HN        1:MET_46:HB2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HN        1:MET_46:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HZ3       1:MET_46:HE*        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HN        1:MET_46:HN         1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:MET_46:HB2        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:MET_46:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:MET_46:HG*        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HN        1:MET_46:HA         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HB2       1:MET_46:HG*        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_38:HB1       1:MET_46:HG*        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB2       1:GLU_51:HB1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB1       1:GLU_51:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB2       1:GLU_51:HB2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB1       1:GLU_51:HB2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_39:HB2       1:GLU_51:HG1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HB*      1:ASP_48:HN         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:THR_50:HN         1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:CYS_49:HB2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:CYS_49:HB1        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:CYS_49:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:ASP_48:HB2        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:ASP_48:HB1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HD2      1:CYS_49:HN         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HE1      1:GLU_51:HG1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:HISD_44:HE1      1:GLU_51:HG2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
!
!NOE inter-finger
!
1:PHE_16:HB1       1:TRP_37:HZ2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB2       1:TRP_37:HZ2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB1       1:TRP_37:HE3        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB2       1:TRP_37:HE3        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB2       1:TRP_37:HZ3        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB1       1:TRP_37:HZ3        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB1       1:TRP_37:HD1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HB2       1:TRP_37:HD1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:TRP_37:HE3        1.800  6.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HE*       1:TRP_37:HE3        1.800  6.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:TRP_37:HZ3        1.800  6.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HE*       1:MET_46:HE*        1.800  7.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:MET_46:HE*        1.800  7.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HZ        1:MET_46:HE*        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD21      1:ALA_30:HB*        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD21      1:ARG_32:HA         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD21      1:ARG_32:HB*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD22      1:ALA_30:HB*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HB1       1:ALA_30:HB*        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HB2       1:ALA_30:HB*        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_18:HA        1:ALA_30:HB*        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:TRP_37:HH2        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:TRP_37:HZ2        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HG*       1:TRP_37:HZ2        1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:ARG_32:HB*       1:TRP_37:HZ2        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HN        1:TRP_37:HD1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB1       1:TRP_37:HD1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB2       1:TRP_37:HD1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HG1       1:TRP_37:HD1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HG2       1:TRP_37:HD1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HD*       1:TRP_37:HD1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HE*       1:TRP_37:HD1        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB1       1:TRP_37:HE1        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HB2       1:TRP_37:HE1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HG1       1:TRP_37:HE1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:LYS_33:HG2       1:TRP_37:HE1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA1       1:GLU_42:HA         1.800  3.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA2       1:GLU_42:HA         1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA1       1:GLU_42:HB2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA2       1:GLU_42:HB2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA1       1:GLU_42:HB1        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:HA2       1:GLU_42:HB1        1.800  3.000  3.000 20.00 20.00 1000.000  0.00
!
!hydrogen bonds
!
1:CYS_15:HN        1:LYS_20:O          1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_19:HN        1:CYS_15:O          1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_28:HN        1:THR_24:O          1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_36:HN        1:LYS_41:O          1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_40:HN        1:CYS_36:O          1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HN        1:ASP_48:OD2        1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:CYS_49:HN        1:GLN_45:O          1.800  2.500  3.000 20.00 20.00 1000.000  0.00
1:ASN_17:HD21      1:ALA_30:O          1.800  3.500  3.000 20.00 20.00 1000.000  0.00
!
!OLIGONUCLEOTIDE NOE
!intra-base NOE
!
1:G_101:H2'1       1:G_101:H8          1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:G_101:H2'2       1:G_101:H8          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H1'        1:G_101:H2'1        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H1'        1:G_101:H2'2        1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:G_101:H5'2       1:G_101:H8          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_101:H3'        1:G_101:H2'2        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H4'        1:G_101:H2'2        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H5'2       1:G_101:H2'1        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H3'        1:G_101:H2'1        1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:G_101:H4'        1:G_101:H2'1        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H8         1:G_101:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H8         1:G_101:H3'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H2'1       1:T_102:H6          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H2'2       1:T_102:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H2'1       1:T_102:H1'         1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H2'2       1:T_102:H1'         1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H3'        1:T_102:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H4'        1:T_102:H1'         1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:T_102:H6         1:T_102:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H6         1:T_102:H1'         1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H3'        1:T_102:H6          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:T_102:H5'1       1:T_102:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H5M1       1:T_102:H6          1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:C_103:H2'1       1:C_103:H6          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_103:H2'1       1:C_103:H6          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_103:H2'2       1:C_103:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H1'        1:C_103:H2'2        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H1'        1:C_103:H2'1        1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_103:H6         1:C_103:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H3'        1:C_103:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H4'        1:C_103:H1'         1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_103:H3'        1:C_103:H6          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:C_104:H2'1       1:C_104:H6          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_104:H2'2       1:C_104:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_104:H1'        1:C_104:H2'1        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_104:H1'        1:C_104:H2'2        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_104:H4'        1:C_104:H1'         1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_104:H1'        1:C_104:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_105:H2'2       1:C_105:H6          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_105:H2'1       1:C_105:H6          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_105:H6         1:C_105:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_106:H2'2       1:T_106:H6          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:T_106:H2'1       1:T_106:H6          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:T_106:H6         1:T_106:H1'         1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'2       1:G_107:H8          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'1       1:G_107:H8          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H8         1:G_107:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_108:H2'2       1:T_108:H6          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:T_108:H2'1       1:T_108:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_108:H6         1:T_108:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_109:H6         1:T_109:H2'1        1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:T_109:H6         1:T_109:H2'2        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:T_109:H6         1:T_109:H5M1        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:T_109:H6         1:T_109:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_110:H2'2       1:C_110:H6          1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:C_110:H2'1       1:C_110:H6          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_111:H8         1:G_111:H2'1        1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:G_111:H8         1:G_111:H2'2        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_111:H1'        1:G_111:H2'2        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_111:H1'        1:G_111:H2'1        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_111:H1'        1:G_111:H4'         1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_111:H1'        1:G_111:H8          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_111:H3'        1:G_111:H8          1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_112:H2'1       1:G_112:H8          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_112:H2'2       1:G_112:H8          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_112:H2'2       1:G_112:H1'         1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_112:H2'1       1:G_112:H1'         1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_112:H3'        1:G_112:H8          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:G_113:H8         1:G_113:H2'1        1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_113:H8         1:G_113:H2'2        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_113:H1'        1:G_113:H2'2        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_113:H1'        1:G_113:H2'1        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_113:H4'        1:G_113:H1'         1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_113:H3'        1:G_113:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_113:H8         1:G_113:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_113:H3'        1:G_113:H8          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:C_114:H1'        1:C_114:H2'1        1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_114:H1'        1:C_114:H2'2        1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_114:H4'        1:C_114:H1'         1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_114:H6         1:C_114:H1'         1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_114:H3'        1:C_114:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
!
!sequential NOE
!
1:G_101:H2'2       1:T_102:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H2'1       1:T_102:H6          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:G_101:H2'2       1:T_102:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_101:H2'1       1:T_102:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:T_102:H1'        1:C_103:H5'1        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H2'1       1:C_104:H6          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_103:H2'2       1:C_104:H6          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H2'1       1:C_104:H5          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_103:H2'2       1:C_104:H5          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:C_103:H1'        1:C_104:H5'1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:C_104:H2'2       1:C_105:H6          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_104:H2'1       1:C_105:H6          1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:C_104:H2'1       1:C_105:H5          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:C_104:H2'2       1:C_105:H5          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:C_104:H1'        1:C_105:H5'1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:C_105:H1'        1:T_106:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:C_105:H1'        1:T_106:H5'1        1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:T_106:H2'2       1:G_107:H8          1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:T_106:H2'1       1:G_107:H8          1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H8         1:T_108:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'2       1:T_108:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H1'        1:T_108:H5M1        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'1       1:T_108:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'2       1:T_108:H6          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'1       1:T_108:H6          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:T_108:H2'2       1:T_109:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_108:H2'1       1:T_109:H5M1        1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:T_108:H2'2       1:T_109:H5M1        1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:T_108:H1'        1:T_109:H5M1        1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:T_108:H1'        1:T_109:H6          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:T_109:H1'        1:C_110:H5'1        1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:C_110:H2'2       1:G_111:H8          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:C_110:H1'        1:G_111:H8          1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:C_110:H2'1       1:G_111:H8          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:C_110:H1'        1:G_111:H5'1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_111:H1'        1:G_112:H8          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_111:H1'        1:G_112:H5'1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_112:H2'2       1:G_113:H8          1.800  2.500  3.000 32.00 32.00 1000.000  0.00
1:G_112:H1'        1:G_113:H8          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_112:H1'        1:G_113:H5'1        1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_113:H2'1       1:C_114:H5          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_113:H2'2       1:C_114:H5          1.800  3.000  3.000 32.00 32.00 1000.000  0.00
1:G_113:H1'        1:C_114:H5'1        1.800  3.500  3.000 32.00 32.00 1000.000  0.00
!
!NOE (i;1+2)
!
1:G_101:H1'        1:C_103:H6          1.800  3.500  3.000 32.00 32.00 1000.000  0.00
1:G_101:H8         1:C_103:H5          1.800  4.500  3.000 32.00 32.00 1000.000  0.00
1:G_101:H2'1       1:C_103:H6          1.800  4.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'2       1:T_109:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H2'1       1:T_109:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
1:G_107:H1'        1:T_109:H5M1        1.800  5.000  3.000 32.00 32.00 1000.000  0.00
!
!hydrogen bonds
!
1:C_103:H41        1:G_113:O6          1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_103:O2         1:G_113:H21         1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_103:N3         1:G_113:H1          1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_103:N4         1:G_113:O6          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
1:C_103:N3         1:G_113:N1          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
1:C_103:O2         1:G_113:N2          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
!
1:C_104:H41        1:G_112:O6          1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_104:O2         1:G_112:H21         1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_104:N3         1:G_112:H1          1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_104:N4         1:G_112:O6          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
1:C_104:N3         1:G_112:N1          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
1:C_104:O2         1:G_112:N2          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
!
1:C_105:H41        1:G_111:O6          1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_105:O2         1:G_111:H21         1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_105:N3         1:G_111:H1          1.800  1.890 3.000 200.00 200.00 1000.000 0.00
1:C_105:N4         1:G_111:O6          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
1:C_105:N3         1:G_111:N1          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
1:C_105:O2         1:G_111:N2          2.900  3.000 3.000 200.00 200.00 1000.000 0.00
!
!NOE protein-oligonucleotide
!
1:VAL_13:HG1*      1:T_106:H5M1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:C_105:H6          1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:C_105:H5          1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG2*      1:C_105:H6          1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:C_105:H2'1        1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:VAL_13:HG1*      1:C_105:H2'2        1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:T_106:H1'         1.800  7.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:T_106:H2'1        1.800  6.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:T_106:H2'2        1.800  6.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HE*       1:T_106:H2'1        1.800  6.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HE*       1:T_106:H2'2        1.800  6.500  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HZ        1:T_106:H2'1        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HZ        1:T_106:H2'2        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HZ        1:T_106:H1'         1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HE*       1:T_106:H1'         1.800  7.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HE*       1:T_106:H5M2        1.800  7.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:T_106:H5M2        1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:PHE_16:HD*       1:T_106:H6          1.800  6.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:C_105:H2'1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:C_105:H2'2        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:T_106:H5M1        1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:C_105:H6          1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:T_106:H6          1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:THR_24:HG2*      1:T_106:H1'         1.800  5.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:T_106:H1'         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HB*       1:T_106:H6          1.800  5.000  3.000 20.00 20.00 1000.000  0.00
1:ALA_25:HN        1:T_106:H1'         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HZ2       1:G_107:H1'         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HZ3       1:T_106:H2'1        1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HZ3       1:T_106:H2'2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HH2       1:G_107:H8          1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HZ3       1:G_107:H8          1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HH2       1:T_106:H2'1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HH2       1:T_106:H2'2        1.800  4.000  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HH2       1:T_106:H1'         1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HE21      1:G_107:H2'1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HE22      1:G_107:H2'1        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HE21      1:G_107:H2'2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HE22      1:G_107:H2'2        1.800  4.500  3.000 20.00 20.00 1000.000  0.00
!
!hydrogen bonds
!
1:ASNN_12:HN*      1:C_104:O1P         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLY_35:O         1:G_107:H1          1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:TRP_37:HN        1:G_107:O6          1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HE21      1:T_108:O2P         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:GLN_45:HE22      1:T_108:O2P         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:MET_46:HN        1:G_107:O6          1.800  3.500  3.000 20.00 20.00 1000.000  0.00
1:LYS_47:HZ*       1:G_107:O1P         1.800  3.500  3.000 20.00 20.00 1000.000  0.00
!
#NMR_dihedral
!
!protein
!
1:ASNN_12:CA       1:ASNN_12:C        1:VAL_13:N         1:VAL_13:CA        175.000 -175.000 200.00 200.00 1000.000
1:ASNN_12:O        1:ASNN_12:C        1:VAL_13:N         1:VAL_13:HN        175.000 -175.000 200.00 200.00 1000.000
1:VAL_13:CA        1:VAL_13:C         1:LYS_14:N         1:LYS_14:CA        175.000 -175.000 200.00 200.00 1000.000
1:VAL_13:O         1:VAL_13:C         1:LYS_14:N         1:LYS_14:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_14:CA        1:LYS_14:C         1:CYS_15:N         1:CYS_15:CA        175.000 -175.000 200.00 200.00 1000.000
1:LYS_14:O         1:LYS_14:C         1:CYS_15:N         1:CYS_15:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_14:N         1:LYS_14:CA        1:LYS_14:CB        1:LYS_14:CG          0.000  120.000 200.00 200.00 1000.000
1:CYS_15:N         1:CYS_15:CA        1:CYS_15:CB        1:CYS_15:SG        120.000 -120.000 200.00 200.00 1000.000
1:CYS_15:CA        1:CYS_15:C         1:PHE_16:N         1:PHE_16:CA        175.000 -175.000 200.00 200.00 1000.000
1:CYS_15:O         1:CYS_15:C         1:PHE_16:N         1:PHE_16:HN        175.000 -175.000 200.00 200.00 1000.000
1:PHE_16:CA        1:PHE_16:C         1:ASN_17:N         1:ASN_17:CA        175.000 -175.000 200.00 200.00 1000.000
1:PHE_16:O         1:PHE_16:C         1:ASN_17:N         1:ASN_17:HN        175.000 -175.000 200.00 200.00 1000.000
1:ASN_17:CA        1:ASN_17:C         1:CYS_18:N         1:CYS_18:CA        175.000 -175.000 200.00 200.00 1000.000
1:ASN_17:O         1:ASN_17:C         1:CYS_18:N         1:CYS_18:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_18:CA        1:CYS_18:C         1:GLY_19:N         1:GLY_19:CA        175.000 -175.000 200.00 200.00 1000.000
1:CYS_18:O         1:CYS_18:C         1:GLY_19:N         1:GLY_19:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_18:N         1:CYS_18:CA        1:CYS_18:CB        1:CYS_18:SG          0.000  120.000 200.00 200.00 1000.000
1:GLY_19:CA        1:GLY_19:C         1:LYS_20:N         1:LYS_20:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLY_19:O         1:GLY_19:C         1:LYS_20:N         1:LYS_20:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_20:CA        1:LYS_20:C         1:GLU_21:N         1:GLU_21:CA        175.000 -175.000 200.00 200.00 1000.000
1:LYS_20:O         1:LYS_20:C         1:GLU_21:N         1:GLU_21:HN        175.000 -175.000 200.00 200.00 1000.000
1:GLU_21:CA        1:GLU_21:C         1:GLY_22:N         1:GLY_22:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLU_21:O         1:GLU_21:C         1:GLY_22:N         1:GLY_22:HN        175.000 -175.000 200.00 200.00 1000.000
1:GLU_21:N         1:GLU_21:CA        1:GLU_21:CB        1:GLU_21:CG       -120.000    0.000 200.00 200.00 1000.000
1:GLY_22:CA        1:GLY_22:C         1:HISD_23:N        1:HISD_23:CA       175.000 -175.000 200.00 200.00 1000.000
1:GLY_22:O         1:GLY_22:C         1:HISD_23:N        1:HISD_23:HN       175.000 -175.000 200.00 200.00 1000.000
1:HISD_23:CA       1:HISD_23:C        1:THR_24:N         1:THR_24:CA        175.000 -175.000 200.00 200.00 1000.000
1:HISD_23:O        1:HISD_23:C        1:THR_24:N         1:THR_24:HN        175.000 -175.000 200.00 200.00 1000.000
1:HISD_23:C        1:HISD_23:CA       1:HISD_23:CB       1:HISD_23:CG       -65.000  -55.000  90.00  90.00 1000.000
1:HISD_23:CA       1:HISD_23:CB       1:HISD_23:CG       1:HISD_23:CD2       80.000   90.000  90.00  90.00 1000.000
1:THR_24:CA        1:THR_24:C         1:ALA_25:N         1:ALA_25:CA        175.000 -175.000 200.00 200.00 1000.000
1:THR_24:O         1:THR_24:C         1:ALA_25:N         1:ALA_25:HN        175.000 -175.000 200.00 200.00 1000.000
1:ALA_25:CA        1:ALA_25:C         1:ARG_26:N         1:ARG_26:CA        175.000 -175.000 200.00 200.00 1000.000
1:ALA_25:O         1:ALA_25:C         1:ARG_26:N         1:ARG_26:HN        175.000 -175.000 200.00 200.00 1000.000
1:ARG_26:CA        1:ARG_26:C         1:ASN_27:N         1:ASN_27:CA        175.000 -175.000 200.00 200.00 1000.000
1:ARG_26:O         1:ARG_26:C         1:ASN_27:N         1:ASN_27:HN        175.000 -175.000 200.00 200.00 1000.000
1:ASN_27:CA        1:ASN_27:C         1:CYS_28:N         1:CYS_28:CA        175.000 -175.000 200.00 200.00 1000.000
1:ASN_27:O         1:ASN_27:C         1:CYS_28:N         1:CYS_28:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_28:CA        1:CYS_28:C         1:ARG_29:N         1:ARG_29:CA        175.000 -175.000 200.00 200.00 1000.000
1:CYS_28:O         1:CYS_28:C         1:ARG_29:N         1:ARG_29:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_28:N         1:CYS_28:CA        1:CYS_28:CB        1:CYS_28:SG        120.000 -120.000 200.00 200.00 1000.000
1:ARG_29:CA        1:ARG_29:C         1:ALA_30:N         1:ALA_30:CA        175.000 -175.000 200.00 200.00 1000.000
1:ARG_29:O         1:ARG_29:C         1:ALA_30:N         1:ALA_30:HN        175.000 -175.000 200.00 200.00 1000.000
1:ALA_30:CA        1:ALA_30:C         1:PRO_31:N         1:PRO_31:CA        175.000 -175.000 200.00 200.00 1000.000
1:PRO_31:CA        1:PRO_31:C         1:ARG_32:N         1:ARG_32:CA        175.000 -175.000 200.00 200.00 1000.000
1:PRO_31:O         1:PRO_31:C         1:ARG_32:N         1:ARG_32:HN        175.000 -175.000 200.00 200.00 1000.000
1:PRO_31:C         1:ARG_32:N         1:ARG_32:CA        1:ARG_32:C        -150.000  -90.000 200.00 200.00 1000.000
1:ARG_32:CA        1:ARG_32:C         1:LYS_33:N         1:LYS_33:CA        175.000 -175.000 200.00 200.00 1000.000
1:ARG_32:O         1:ARG_32:C         1:LYS_33:N         1:LYS_33:HN        175.000 -175.000 200.00 200.00 1000.000
1:ARG_32:C         1:LYS_33:N         1:LYS_33:CA        1:LYS_33:C        -150.000  -90.000 200.00 200.00 1000.000
1:LYS_33:CA        1:LYS_33:C         1:LYS_34:N         1:LYS_34:CA        175.000 -175.000 200.00 200.00 1000.000
1:LYS_33:O         1:LYS_33:C         1:LYS_34:N         1:LYS_34:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_33:C         1:LYS_34:N         1:LYS_34:CA        1:LYS_34:C        -150.000  -90.000 200.00 200.00 1000.000
1:LYS_34:CA        1:LYS_34:C         1:GLY_35:N         1:GLY_35:CA        175.000 -175.000 200.00 200.00 1000.000
1:LYS_34:O         1:LYS_34:C         1:GLY_35:N         1:GLY_35:HN        175.000 -175.000 200.00 200.00 1000.000
1:GLY_35:CA        1:GLY_35:C         1:CYS_36:N         1:CYS_36:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLY_35:O         1:GLY_35:C         1:CYS_36:N         1:CYS_36:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_36:CA        1:CYS_36:C         1:TRP_37:N         1:TRP_37:CA        175.000 -175.000 200.00 200.00 1000.000
1:CYS_36:O         1:CYS_36:C         1:TRP_37:N         1:TRP_37:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_36:N         1:CYS_36:CA        1:CYS_36:CB        1:CYS_36:SG        120.000 -120.000 200.00 200.00 1000.000
1:TRP_37:CA        1:TRP_37:C         1:LYS_38:N         1:LYS_38:CA        175.000 -175.000 200.00 200.00 1000.000
1:TRP_37:O         1:TRP_37:C         1:LYS_38:N         1:LYS_38:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_38:CA        1:LYS_38:C         1:CYS_39:N         1:CYS_39:CA        175.000 -175.000 200.00 200.00 1000.000
1:LYS_38:O         1:LYS_38:C         1:CYS_39:N         1:CYS_39:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_39:CA        1:CYS_39:C         1:GLY_40:N         1:GLY_40:CA        175.000 -175.000 200.00 200.00 1000.000
1:CYS_39:O         1:CYS_39:C         1:GLY_40:N         1:GLY_40:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_39:N         1:CYS_39:CA        1:CYS_39:CB        1:CYS_39:SG          0.000  120.000 200.00 200.00 1000.000
1:GLY_40:CA        1:GLY_40:C         1:LYS_41:N         1:LYS_41:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLY_40:O         1:GLY_40:C         1:LYS_41:N         1:LYS_41:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_41:CA        1:LYS_41:C         1:GLU_42:N         1:GLU_42:CA        175.000 -175.000 200.00 200.00 1000.000
1:LYS_41:O         1:LYS_41:C         1:GLU_42:N         1:GLU_42:HN        175.000 -175.000 200.00 200.00 1000.000
1:GLU_42:CA        1:GLU_42:C         1:GLY_43:N         1:GLY_43:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLU_42:O         1:GLU_42:C         1:GLY_43:N         1:GLY_43:HN        175.000 -175.000 200.00 200.00 1000.000
1:GLU_42:N         1:GLU_42:CA        1:GLU_42:CB        1:GLU_42:CG          0.000  120.000 200.00 200.00 1000.000
1:GLY_43:CA        1:GLY_43:C         1:HISD_44:N        1:HISD_44:CA       175.000 -175.000 200.00 200.00 1000.000
1:GLY_43:O         1:GLY_43:C         1:HISD_44:N        1:HISD_44:HN       175.000 -175.000 200.00 200.00 1000.000
1:HISD_44:CA       1:HISD_44:C        1:GLN_45:N         1:GLN_45:CA        175.000 -175.000 200.00 200.00 1000.000
1:HISD_44:O        1:HISD_44:C        1:GLN_45:N         1:GLN_45:HN        175.000 -175.000 200.00 200.00 1000.000
1:HISD_44:C        1:HISD_44:CA       1:HISD_44:CB       1:HISD_44:CG       -65.000  -55.000  90.00  90.00 1000.000
1:HISD_44:CA       1:HISD_44:CB       1:HISD_44:CG       1:HISD_44:CD2       80.000   90.000  90.00  90.00 1000.000
1:GLN_45:CA        1:GLN_45:C         1:MET_46:N         1:MET_46:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLN_45:O         1:GLN_45:C         1:MET_46:N         1:MET_46:HN        175.000 -175.000 200.00 200.00 1000.000
1:MET_46:CA        1:MET_46:C         1:LYS_47:N         1:LYS_47:CA        175.000 -175.000 200.00 200.00 1000.000
1:MET_46:O         1:MET_46:C         1:LYS_47:N         1:LYS_47:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_47:CA        1:LYS_47:C         1:ASP_48:N         1:ASP_48:CA        175.000 -175.000 200.00 200.00 1000.000
1:LYS_47:O         1:LYS_47:C         1:ASP_48:N         1:ASP_48:HN        175.000 -175.000 200.00 200.00 1000.000
1:LYS_47:N         1:LYS_47:CA        1:LYS_47:CB        1:LYS_47:CG       -120.000    0.000 200.00 200.00 1000.000
1:ASP_48:CA        1:ASP_48:C         1:CYS_49:N         1:CYS_49:CA        175.000 -175.000 200.00 200.00 1000.000
1:ASP_48:O         1:ASP_48:C         1:CYS_49:N         1:CYS_49:HN        175.000 -175.000 200.00 200.00 1000.000
1:ASP_48:N         1:ASP_48:CA        1:ASP_48:CB        1:ASP_48:CG       -120.000    0.000 200.00 200.00 1000.000
1:CYS_49:CA        1:CYS_49:C         1:THR_50:N         1:THR_50:CA        175.000 -175.000 200.00 200.00 1000.000
1:CYS_49:O         1:CYS_49:C         1:THR_50:N         1:THR_50:HN        175.000 -175.000 200.00 200.00 1000.000
1:CYS_49:N         1:CYS_49:CA        1:CYS_49:CB        1:CYS_49:SG        120.000 -120.000 200.00 200.00 1000.000
1:THR_50:CA        1:THR_50:C         1:GLU_51:N         1:GLU_51:CA        175.000 -175.000 200.00 200.00 1000.000
1:THR_50:O         1:THR_50:C         1:GLU_51:N         1:GLU_51:HN        175.000 -175.000 200.00 200.00 1000.000
1:GLU_51:CA        1:GLU_51:C         1:ARG_52:N         1:ARG_52:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLU_51:O         1:GLU_51:C         1:ARG_52:N         1:ARG_52:HN        175.000 -175.000 200.00 200.00 1000.000
1:ARG_52:CA        1:ARG_52:C         1:GLN_53:N         1:GLN_53:CA        175.000 -175.000 200.00 200.00 1000.000
1:ARG_52:O         1:ARG_52:C         1:GLN_53:N         1:GLN_53:HN        175.000 -175.000 200.00 200.00 1000.000
1:GLN_53:CA        1:GLN_53:C         1:ALA_54:N         1:ALA_54:CA        175.000 -175.000 200.00 200.00 1000.000
1:GLN_53:O         1:GLN_53:C         1:ALA_54:N         1:ALA_54:HN        175.000 -175.000 200.00 200.00 1000.000
1:ALA_54:CA        1:ALA_54:C         1:ASNC_55:N        1:ASNC_55:CA       175.000 -175.000 200.00 200.00 1000.000
1:ALA_54:O         1:ALA_54:C         1:ASNC_55:N        1:ASNC_55:HN       175.000 -175.000 200.00 200.00 1000.000
!
!OLIGONUCLEOTIDE
!
1:G_101:O5'        1:G_101:C5'        1:G_101:C4'        1:G_101:C3'         20.000  120.000  32.00  32.00 1000.000
1:G_101:C4'        1:G_101:C3'        1:G_101:O3'        1:T_102:P          140.000 -120.000  32.00  32.00 1000.000
1:G_101:C3'        1:G_101:O3'        1:T_102:P          1:T_102:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:G_101:O3'        1:T_102:P          1:T_102:O5'        1:T_102:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:T_102:P          1:T_102:O5'        1:T_102:C5'        1:T_102:C4'        125.000 -135.000  32.00  32.00 1000.000
1:T_102:O5'        1:T_102:C5'        1:T_102:C4'        1:T_102:C3'         20.000  120.000  32.00  32.00 1000.000
1:T_102:C4'        1:T_102:C3'        1:T_102:O3'        1:C_103:P          140.000 -120.000  32.00  32.00 1000.000
1:T_102:C3'        1:T_102:O3'        1:C_103:P          1:C_103:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:T_102:O3'        1:C_103:P          1:C_103:O5'        1:C_103:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:C_103:P          1:C_103:O5'        1:C_103:C5'        1:C_103:C4'        125.000 -135.000  32.00  32.00 1000.000
1:C_103:O5'        1:C_103:C5'        1:C_103:C4'        1:C_103:C3'         20.000  120.000  32.00  32.00 1000.000
1:C_103:C4'        1:C_103:C3'        1:C_103:O3'        1:C_104:P          140.000 -120.000  32.00  32.00 1000.000
1:C_103:C3'        1:C_103:O3'        1:C_104:P          1:C_104:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:C_103:O3'        1:C_104:P          1:C_104:O5'        1:C_104:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:C_104:P          1:C_104:O5'        1:C_104:C5'        1:C_104:C4'        125.000 -135.000  32.00  32.00 1000.000
1:C_104:O5'        1:C_104:C5'        1:C_104:C4'        1:C_104:C3'         20.000  120.000  32.00  32.00 1000.000
1:C_104:C4'        1:C_104:C3'        1:C_104:O3'        1:C_105:P          140.000 -120.000  32.00  32.00 1000.000
1:C_104:C3'        1:C_104:O3'        1:C_105:P          1:C_105:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:C_104:O3'        1:C_105:P          1:C_105:O5'        1:C_105:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:C_105:P          1:C_105:O5'        1:C_105:C5'        1:C_105:C4'        125.000 -135.000  32.00  32.00 1000.000
1:C_105:O5'        1:C_105:C5'        1:C_105:C4'        1:C_105:C3'         20.000  120.000  32.00  32.00 1000.000
1:C_105:O3'        1:T_106:P          1:T_106:O5'        1:T_106:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:T_106:P          1:T_106:O5'        1:T_106:C5'        1:T_106:C4'        125.000 -135.000  32.00  32.00 1000.000
1:T_106:O5'        1:T_106:C5'        1:T_106:C4'        1:T_106:C3'         20.000  120.000  32.00  32.00 1000.000
1:G_107:O5'        1:G_107:C5'        1:G_107:C4'        1:G_107:C3'         20.000  120.000  32.00  32.00 1000.000
1:G_107:C4'        1:G_107:C3'        1:G_107:O3'        1:T_108:P          140.000 -120.000  32.00  32.00 1000.000
1:G_107:C3'        1:G_107:O3'        1:T_108:P          1:T_108:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:G_107:O3'        1:T_108:P          1:T_108:O5'        1:T_108:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:T_108:P          1:T_108:O5'        1:T_108:C5'        1:T_108:C4'        125.000 -135.000  32.00  32.00 1000.000
1:T_108:O5'        1:T_108:C5'        1:T_108:C4'        1:T_108:C3'         20.000  120.000  32.00  32.00 1000.000
1:T_108:C4'        1:T_108:C3'        1:T_108:O3'        1:T_109:P          140.000 -120.000  32.00  32.00 1000.000
1:T_108:C3'        1:T_108:O3'        1:T_109:P          1:T_109:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:T_108:O3'        1:T_109:P          1:T_109:O5'        1:T_109:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:T_109:P          1:T_109:O5'        1:T_109:C5'        1:T_109:C4'        125.000 -135.000  32.00  32.00 1000.000
1:T_109:O5'        1:T_109:C5'        1:T_109:C4'        1:T_109:C3'         20.000  120.000  32.00  32.00 1000.000
1:T_109:C4'        1:T_109:C3'        1:T_109:O3'        1:C_110:P          140.000 -120.000  32.00  32.00 1000.000
1:T_109:C3'        1:T_109:O3'        1:C_110:P          1:C_110:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:T_109:O3'        1:C_110:P          1:C_110:O5'        1:C_110:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:C_110:P          1:C_110:O5'        1:C_110:C5'        1:C_110:C4'        125.000 -135.000  32.00  32.00 1000.000
1:C_110:O5'        1:C_110:C5'        1:C_110:C4'        1:C_110:C3'         20.000  120.000  32.00  32.00 1000.000
1:C_110:C4'        1:C_110:C3'        1:C_110:O3'        1:G_111:P          140.000 -120.000  32.00  32.00 1000.000
1:C_110:C3'        1:C_110:O3'        1:G_111:P          1:G_111:O5'       -150.000  -50.000  32.00  32.00 1000.000
1:C_110:O3'        1:G_111:P          1:G_111:O5'        1:G_111:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:G_111:P          1:G_111:O5'        1:G_111:C5'        1:G_111:C4'        125.000 -135.000  32.00  32.00 1000.000
1:G_111:O5'        1:G_111:C5'        1:G_111:C4'        1:G_111:C3'         20.000  120.000  32.00  32.00 1000.000
1:G_111:O3'        1:G_112:P          1:G_112:O5'        1:G_112:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:G_112:P          1:G_112:O5'        1:G_112:C5'        1:G_112:C4'        125.000 -135.000  32.00  32.00 1000.000
1:G_112:O5'        1:G_112:C5'        1:G_112:C4'        1:G_112:C3'         20.000  120.000  32.00  32.00 1000.000
1:G_113:P          1:G_113:O5'        1:G_113:C5'        1:G_113:C4'        125.000 -135.000  32.00  32.00 1000.000
1:G_113:O5'        1:G_113:C5'        1:G_113:C4'        1:G_113:C3'         20.000  120.000  32.00  32.00 1000.000
1:G_113:O3'        1:C_114:P          1:C_114:O5'        1:C_114:C5'       -115.000  -15.000  32.00  32.00 1000.000
1:C_114:P          1:C_114:O5'        1:C_114:C5'        1:C_114:C4'        125.000 -135.000  32.00  32.00 1000.000
1:C_114:O5'        1:C_114:C5'        1:C_114:C4'        1:C_114:C3'         20.000  120.000  32.00  32.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G 101          1H5*        G 101 -22.662   4.976  -5.548
    2   2H5*    G 101          2H5*        G 101 -21.037   4.910  -4.836
    3    H4*    G 101           H4*        G 101 -22.964   2.748  -5.221
    4    H3*    G 101           H3*        G 101 -20.681   3.433  -3.439
    5    H1*    G 101           H1*        G 101 -19.618   0.767  -6.018
    6    H8     G 101           H8         G 101 -18.313   2.986  -3.746
    7    H1     G 101           H1         G 101 -16.962   4.899  -9.724
    8   1H2     G 101          1H2         G 101 -18.020   3.508 -11.186
    9   2H2     G 101          2H2         G 101 -19.116   2.266 -10.624
   10    H5T    G 101           H5T        G 101 -20.976   5.579  -6.975
   11   1H2*    G 101          1H2*        G 101 -19.644   1.337  -3.414
   12   2H2*    G 101          2H2*        G 101 -21.116   0.555  -4.034
   13   1H5*    T 102          1H5*        T 102 -23.737  -0.213  -0.730
   14   2H5*    T 102          2H5*        T 102 -22.558  -0.044   0.573
   15    H4*    T 102           H4*        T 102 -22.703  -2.320   0.447
   16    H3*    T 102           H3*        T 102 -20.249  -1.404  -0.410
   17   1H2*    T 102          1H2*        T 102 -20.835  -1.379  -2.735
   18   2H2*    T 102          2H2*        T 102 -20.107  -2.993  -2.627
   19    H1*    T 102           H1*        T 102 -22.179  -4.062  -2.361
   20    H3     T 102           H3         T 102 -23.058  -3.943  -6.888
   21   1H5M    T 102          1H5M        T 102 -24.326   0.891  -4.719
   22   2H5M    T 102          2H5M        T 102 -23.773   0.805  -6.409
   23   3H5M    T 102          3H5M        T 102 -25.367   0.171  -5.960
   24    H6     T 102           H6         T 102 -23.314  -0.694  -3.347
   25   1H5*    C 103          1H5*        C 103 -20.237  -5.854  -1.820
   26   2H5*    C 103          2H5*        C 103 -18.722  -6.584  -1.252
   27    H4*    C 103           H4*        C 103 -18.993  -7.169  -3.550
   28    H3*    C 103           H3*        C 103 -16.703  -5.630  -2.728
   29    H1*    C 103           H1*        C 103 -18.471  -5.901  -5.968
   30   1H4     C 103          1H4         C 103 -20.612  -0.589  -9.015
   31   2H4     C 103          2H4         C 103 -21.159   0.073  -7.499
   32    H5     C 103           H5         C 103 -20.398  -0.887  -5.342
   33    H6     C 103           H6         C 103 -19.095  -2.511  -4.424
   34   1H2*    C 103          1H2*        C 103 -17.318  -3.766  -4.152
   35   2H2*    C 103          2H2*        C 103 -16.409  -4.744  -5.255
   36   1H5*    C 104          1H5*        C 104 -16.853  -7.662  -7.074
   37   2H5*    C 104          2H5*        C 104 -15.341  -8.581  -7.202
   38    H4*    C 104           H4*        C 104 -15.889  -7.705  -9.377
   39    H3*    C 104           H3*        C 104 -13.394  -7.288  -8.165
   40    H1*    C 104           H1*        C 104 -15.198  -4.929 -10.357
   41   1H4     C 104          1H4         C 104 -16.647   1.085  -8.879
   42   2H4     C 104          2H4         C 104 -17.477   0.579  -7.418
   43    H5     C 104           H5         C 104 -17.185  -1.749  -6.480
   44    H6     C 104           H6         C 104 -16.490  -3.961  -7.091
   45   1H2*    C 104          1H2*        C 104 -13.955  -5.013  -7.592
   46   2H2*    C 104          2H2*        C 104 -13.092  -4.750  -9.132
   47   1H5*    C 105          1H5*        C 105 -10.914  -5.350 -11.742
   48   2H5*    C 105          2H5*        C 105  -9.697  -6.615 -11.465
   49    H4*    C 105           H4*        C 105  -8.595  -4.656 -10.813
   50    H3*    C 105           H3*        C 105  -9.097  -6.540  -8.760
   51    H1*    C 105           H1*        C 105  -9.231  -2.869  -8.290
   52   1H4     C 105          1H4         C 105 -14.053   1.080  -7.249
   53   2H4     C 105          2H4         C 105 -14.656  -0.070  -6.067
   54    H5     C 105           H5         C 105 -13.795  -2.402  -5.931
   55    H6     C 105           H6         C 105 -12.078  -3.863  -6.674
   56   1H2*    C 105          1H2*        C 105 -11.001  -5.319  -7.982
   57   2H2*    C 105          2H2*        C 105  -9.711  -4.775  -6.884
   58   1H5*    T 106          1H5*        T 106  -6.194  -3.490 -10.410
   59   2H5*    T 106          2H5*        T 106  -4.736  -4.323 -10.974
   60    H4*    T 106           H4*        T 106  -4.456  -1.848 -10.491
   61    H3*    T 106           H3*        T 106  -2.742  -3.998  -9.446
   62   1H2*    T 106          1H2*        T 106  -1.843  -2.792  -7.525
   63   2H2*    T 106          2H2*        T 106  -2.243  -1.250  -8.266
   64    H1*    T 106           H1*        T 106  -4.005  -1.246  -6.888
   65    H3     T 106           H3         T 106  -3.748  -6.293  -5.414
   66   1H5M    T 106          1H5M        T 106  -6.945  -2.324  -3.743
   67   2H5M    T 106          2H5M        T 106  -5.659  -2.718  -2.576
   68   3H5M    T 106          3H5M        T 106  -6.979  -3.868  -2.879
   69    H6     T 106           H6         T 106  -5.639  -1.892  -5.526
   70   1H5*    G 107          1H5*        G 107  -1.465   0.190 -10.411
   71   2H5*    G 107          2H5*        G 107  -0.011   0.205 -11.423
   72    H4*    G 107           H4*        G 107  -0.422   2.178  -9.835
   73    H3*    G 107           H3*        G 107   2.235   0.731  -9.790
   74    H1*    G 107           H1*        G 107   0.225   2.928  -7.330
   75    H8     G 107           H8         G 107   1.978  -0.462  -6.742
   76    H1     G 107           H1         G 107   3.017   3.931  -2.167
   77   1H2     G 107          1H2         G 107   2.240   5.941  -2.882
   78   2H2     G 107          2H2         G 107   1.366   6.089  -4.394
   79   1H2*    G 107          1H2*        G 107   2.918   2.248  -8.185
   80   2H2*    G 107          2H2*        G 107   1.847   3.543  -8.743
   81   1H5*    T 108          1H5*        T 108   1.934   5.325 -12.846
   82   2H5*    T 108          2H5*        T 108   3.166   6.306 -12.028
   83    H4*    T 108           H4*        T 108   1.062   7.491 -12.167
   84    H3*    T 108           H3*        T 108   2.288   7.144  -9.618
   85   1H2*    T 108          1H2*        T 108   0.678   5.522  -8.977
   86   2H2*    T 108          2H2*        T 108  -0.113   7.000  -8.349
   87    H1*    T 108           H1*        T 108  -1.238   7.352 -10.385
   88    H3     T 108           H3         T 108  -5.071   5.008 -11.063
   89   1H5M    T 108          1H5M        T 108  -2.028   2.479  -7.352
   90   2H5M    T 108          2H5M        T 108  -3.771   2.196  -7.500
   91   3H5M    T 108          3H5M        T 108  -2.658   1.442  -8.649
   92    H6     T 108           H6         T 108  -1.000   4.176  -8.662
   93   1H5*    T 109          1H5*        T 109  -1.375   9.742 -10.836
   94   2H5*    T 109          2H5*        T 109  -1.612  11.238  -9.926
   95    H4*    T 109           H4*        T 109  -3.671  10.008 -10.746
   96    H3*    T 109           H3*        T 109  -3.545  11.553  -8.444
   97   1H2*    T 109          1H2*        T 109  -2.891   9.590  -7.204
   98   2H2*    T 109          2H2*        T 109  -4.558   9.669  -6.710
   99    H1*    T 109           H1*        T 109  -5.275   8.381  -8.710
  100    H3     T 109           H3         T 109  -5.575   4.422  -6.465
  101   1H5M    T 109          1H5M        T 109  -0.503   5.622  -6.721
  102   2H5M    T 109          2H5M        T 109  -0.836   6.150  -5.047
  103   3H5M    T 109          3H5M        T 109  -1.041   4.449  -5.502
  104    H6     T 109           H6         T 109  -2.097   7.654  -7.093
  105   1H5*    C 110          1H5*        C 110  -7.036   8.980  -9.936
  106   2H5*    C 110          2H5*        C 110  -7.359  10.395 -10.953
  107    H4*    C 110           H4*        C 110  -8.854   8.445 -11.302
  108    H3*    C 110           H3*        C 110  -9.902  11.185 -10.669
  109    H1*    C 110           H1*        C 110 -11.026   7.556 -10.781
  110   1H4     C 110          1H4         C 110 -13.656   5.705  -5.070
  111   2H4     C 110          2H4         C 110 -14.859   6.944  -5.332
  112    H5     C 110           H5         C 110 -14.751   8.552  -7.194
  113    H6     C 110           H6         C 110 -13.466   9.280  -9.060
  114   1H2*    C 110          1H2*        C 110 -11.728  10.319  -9.757
  115   2H2*    C 110          2H2*        C 110 -12.201   9.545 -11.283
  116   1H5*    G 111          1H5*        G 111 -10.388   8.180 -14.303
  117   2H5*    G 111          2H5*        G 111 -11.342   8.847 -15.636
  118    H4*    G 111           H4*        G 111 -12.044   6.599 -15.411
  119    H3*    G 111           H3*        G 111 -13.967   8.679 -14.836
  120    H1*    G 111           H1*        G 111 -13.617   5.197 -13.721
  121    H8     G 111           H8         G 111 -14.687   6.997 -10.694
  122    H1     G 111           H1         G 111 -12.305   1.194  -9.310
  123   1H2     G 111          1H2         G 111 -11.248   0.342 -11.075
  124   2H2     G 111          2H2         G 111 -11.101   1.222 -12.588
  125   1H2*    G 111          1H2*        G 111 -14.022   7.988 -12.579
  126   2H2*    G 111          2H2*        G 111 -15.331   6.941 -13.186
  127   1H5*    G 112          1H5*        G 112 -14.256   6.283 -18.263
  128   2H5*    G 112          2H5*        G 112 -15.598   5.789 -19.302
  129    H4*    G 112           H4*        G 112 -13.901   4.019 -18.756
  130    H3*    G 112           H3*        G 112 -16.745   3.761 -18.807
  131    H1*    G 112           H1*        G 112 -14.361   2.035 -16.374
  132    H8     G 112           H8         G 112 -16.420   4.869 -14.601
  133    H1     G 112           H1         G 112 -14.863  -0.131 -10.912
  134   1H2     G 112          1H2         G 112 -13.734  -1.661 -12.185
  135   2H2     G 112          2H2         G 112 -13.312  -1.340 -13.860
  136   1H2*    G 112          1H2*        G 112 -17.061   3.367 -16.608
  137   2H2*    G 112          2H2*        G 112 -16.645   1.682 -17.011
  138   1H5*    G 113          1H5*        G 113 -13.308  -0.780 -17.201
  139   2H5*    G 113          2H5*        G 113 -13.909  -1.647 -18.627
  140    H4*    G 113           H4*        G 113 -14.403  -2.928 -16.637
  141    H3*    G 113           H3*        G 113 -16.490  -2.032 -18.460
  142    H1*    G 113           H1*        G 113 -16.448  -2.983 -14.871
  143    H8     G 113           H8         G 113 -17.370   0.814 -15.054
  144    H1     G 113           H1         G 113 -19.168  -2.210  -9.660
  145   1H2     G 113          1H2         G 113 -18.556  -4.385  -9.796
  146   2H2     G 113          2H2         G 113 -17.674  -4.996 -11.175
  147   1H2*    G 113          1H2*        G 113 -17.612  -0.917 -16.762
  148   2H2*    G 113          2H2*        G 113 -18.281  -2.530 -16.426
  149   1H5*    C 114          1H5*        C 114 -17.153  -6.058 -15.696
  150   2H5*    C 114          2H5*        C 114 -18.214  -7.112 -16.657
  151    H4*    C 114           H4*        C 114 -18.906  -7.169 -14.314
  152    H3*    C 114           H3*        C 114 -20.833  -5.611 -16.105
  153    H1*    C 114           H1*        C 114 -20.102  -5.351 -12.344
  154   1H4     C 114          1H4         C 114 -21.972   0.775 -12.470
  155   2H4     C 114          2H4         C 114 -21.450   0.961 -14.131
  156    H5     C 114           H5         C 114 -20.672  -0.959 -15.500
  157    H6     C 114           H6         C 114 -20.148  -3.306 -15.440
  158    H3T    C 114           H3T        C 114 -21.930  -7.618 -15.965
  159   1H2*    C 114          1H2*        C 114 -22.253  -5.442 -14.215
  160   2H2*    C 114          2H2*        C 114 -21.444  -6.809 -13.400
  161   1H    ASN  12          1H        ASN  12 -14.777 -10.435  -2.156
  162   2H    ASN  12          2H        ASN  12 -14.001  -9.705  -3.457
  163   3H    ASN  12          3H        ASN  12 -13.312 -11.046  -2.712
  164    HA   ASN  12           HA       ASN  12 -13.742  -8.398  -1.521
  165   1HB   ASN  12          1HB       ASN  12 -12.639  -9.187   0.456
  166   2HB   ASN  12          2HB       ASN  12 -13.968 -10.291   0.110
  167   1HD2  ASN  12          1HD2      ASN  12 -13.417 -12.450  -0.777
  168   2HD2  ASN  12          2HD2      ASN  12 -11.804 -13.089  -0.553
  169    H    VAL  13           H        VAL  13 -11.733  -7.226  -1.049
  170    HA   VAL  13           HA       VAL  13  -9.213  -8.129  -2.112
  171    HB   VAL  13           HB       VAL  13 -10.351  -7.498  -4.214
  172   1HG1  VAL  13          1HG1      VAL  13 -11.825  -5.651  -3.230
  173   2HG1  VAL  13          2HG1      VAL  13 -10.390  -4.608  -3.311
  174   3HG1  VAL  13          3HG1      VAL  13 -11.045  -5.319  -4.784
  175   1HG2  VAL  13          1HG2      VAL  13  -7.923  -7.256  -4.059
  176   2HG2  VAL  13          2HG2      VAL  13  -8.618  -5.992  -5.090
  177   3HG2  VAL  13          3HG2      VAL  13  -8.120  -5.610  -3.436
  178    H    LYS  14           H        LYS  14  -7.984  -7.548  -0.457
  179    HA   LYS  14           HA       LYS  14  -8.648  -5.544   1.425
  180   1HB   LYS  14          1HB       LYS  14  -5.808  -5.963   1.489
  181   2HB   LYS  14          2HB       LYS  14  -7.019  -6.364   2.670
  182   1HG   LYS  14          1HG       LYS  14  -6.330  -8.117   0.232
  183   2HG   LYS  14          2HG       LYS  14  -5.461  -8.210   1.749
  184   1HD   LYS  14          1HD       LYS  14  -8.465  -8.478   1.760
  185   2HD   LYS  14          2HD       LYS  14  -7.439  -9.867   1.384
  186   1HE   LYS  14          1HE       LYS  14  -6.401  -9.878   3.502
  187   2HE   LYS  14          2HE       LYS  14  -6.909  -8.228   3.892
  188   1HZ   LYS  14          1HZ       LYS  14  -8.784 -10.455   3.608
  189   2HZ   LYS  14          2HZ       LYS  14  -8.174  -9.898   5.039
  190   3HZ   LYS  14          3HZ       LYS  14  -9.094  -8.905   4.109
  191    H    CYS  15           H        CYS  15  -8.746  -3.448   1.059
  192    HA   CYS  15           HA       CYS  15  -7.459  -1.988  -1.012
  193   1HB   CYS  15          1HB       CYS  15  -9.515  -1.316   0.179
  194   2HB   CYS  15          2HB       CYS  15  -8.582  -1.134   1.669
  195    H    PHE  16           H        PHE  16  -5.283  -1.247  -1.122
  196    HA   PHE  16           HA       PHE  16  -3.418  -1.770   0.957
  197   1HB   PHE  16          1HB       PHE  16  -3.263   0.231  -1.318
  198   2HB   PHE  16          2HB       PHE  16  -1.933  -0.306  -0.326
  199    HD1  PHE  16           HD1      PHE  16  -1.634  -3.021  -0.241
  200    HD2  PHE  16           HD2      PHE  16  -3.495  -0.788  -3.426
  201    HE1  PHE  16           HE1      PHE  16  -0.871  -4.713  -1.890
  202    HE2  PHE  16           HE2      PHE  16  -2.485  -2.318  -5.068
  203    HZ   PHE  16           HZ       PHE  16  -1.253  -4.315  -4.341
  204    H    ASN  17           H        ASN  17  -5.155   1.189  -0.022
  205    HA   ASN  17           HA       ASN  17  -3.852   3.049   1.582
  206   1HB   ASN  17          1HB       ASN  17  -5.249   3.626  -0.289
  207   2HB   ASN  17          2HB       ASN  17  -6.684   2.975   0.491
  208   1HD2  ASN  17          1HD2      ASN  17  -7.080   5.400  -0.404
  209   2HD2  ASN  17          2HD2      ASN  17  -6.997   6.613   0.848
  210    H    CYS  18           H        CYS  18  -6.949   1.353   2.377
  211    HA   CYS  18           HA       CYS  18  -6.688   2.348   5.176
  212   1HB   CYS  18          1HB       CYS  18  -8.993   2.169   5.406
  213   2HB   CYS  18          2HB       CYS  18  -8.677   3.067   3.927
  214    H    GLY  19           H        GLY  19  -6.945  -0.672   3.286
  215   1HA   GLY  19          1HA       GLY  19  -6.130  -2.740   4.248
  216   2HA   GLY  19          2HA       GLY  19  -6.786  -2.266   5.813
  217    H    LYS  20           H        LYS  20  -9.303  -1.327   5.095
  218    HA   LYS  20           HA       LYS  20 -10.784  -3.669   5.231
  219   1HB   LYS  20          1HB       LYS  20 -11.676  -0.891   4.419
  220   2HB   LYS  20          2HB       LYS  20 -12.767  -2.250   4.723
  221   1HG   LYS  20          1HG       LYS  20 -11.901  -2.463   7.019
  222   2HG   LYS  20          2HG       LYS  20 -10.783  -1.125   6.745
  223   1HD   LYS  20          1HD       LYS  20 -12.753  -0.371   7.986
  224   2HD   LYS  20          2HD       LYS  20 -12.619   0.445   6.426
  225   1HE   LYS  20          1HE       LYS  20 -14.951  -0.189   6.999
  226   2HE   LYS  20          2HE       LYS  20 -14.416  -0.913   5.481
  227   1HZ   LYS  20          1HZ       LYS  20 -14.494  -2.268   8.092
  228   2HZ   LYS  20          2HZ       LYS  20 -15.580  -2.466   6.869
  229   3HZ   LYS  20          3HZ       LYS  20 -14.021  -2.954   6.669
  230    H    GLU  21           H        GLU  21 -11.936  -4.935   3.930
  231    HA   GLU  21           HA       GLU  21 -11.141  -5.227   1.237
  232   1HB   GLU  21          1HB       GLU  21 -13.216  -6.590   3.017
  233   2HB   GLU  21          2HB       GLU  21 -12.743  -7.164   1.420
  234   1HG   GLU  21          1HG       GLU  21 -11.549  -8.423   3.021
  235   2HG   GLU  21          2HG       GLU  21 -10.404  -7.395   2.148
  236    H    GLY  22           H        GLY  22 -12.942  -5.942  -0.350
  237   1HA   GLY  22          1HA       GLY  22 -14.903  -5.692  -1.447
  238   2HA   GLY  22          2HA       GLY  22 -15.484  -4.520  -0.264
  239    H    HIS  23           H        HIS  23 -12.404  -3.499  -1.258
  240    HA   HIS  23           HA       HIS  23 -13.066  -2.144  -3.703
  241   1HB   HIS  23          1HB       HIS  23 -13.194   0.096  -2.803
  242   2HB   HIS  23          2HB       HIS  23 -14.519  -0.844  -2.129
  243    HD1  HIS  23           HD1      HIS  23 -14.267  -1.561   0.453
  244    HD2  HIS  23           HD2      HIS  23 -11.326   1.062  -0.974
  245    HE1  HIS  23           HE1      HIS  23 -13.049  -0.627   2.472
  246    H    THR  24           H        THR  24 -11.308  -0.461  -4.176
  247    HA   THR  24           HA       THR  24  -8.736  -1.446  -3.048
  248    HB   THR  24           HB       THR  24  -7.826  -0.922  -5.353
  249    HG1  THR  24           HG1      THR  24 -10.561  -0.758  -6.051
  250   1HG2  THR  24          1HG2      THR  24 -10.074  -2.923  -5.551
  251   2HG2  THR  24          2HG2      THR  24  -8.421  -2.985  -6.236
  252   3HG2  THR  24          3HG2      THR  24  -8.702  -3.254  -4.522
  253    H    ALA  25           H        ALA  25  -6.874   0.014  -3.701
  254    HA   ALA  25           HA       ALA  25  -6.798   2.182  -2.014
  255   1HB   ALA  25          1HB       ALA  25  -4.837   1.005  -2.892
  256   2HB   ALA  25          2HB       ALA  25  -5.120   1.660  -4.512
  257   3HB   ALA  25          3HB       ALA  25  -4.684   2.743  -3.171
  258    H    ARG  26           H        ARG  26  -7.283   2.302  -5.580
  259    HA   ARG  26           HA       ARG  26  -7.567   5.120  -5.752
  260   1HB   ARG  26          1HB       ARG  26  -8.547   4.686  -7.957
  261   2HB   ARG  26          2HB       ARG  26  -7.041   3.815  -7.687
  262   1HG   ARG  26          1HG       ARG  26  -8.208   1.729  -7.313
  263   2HG   ARG  26          2HG       ARG  26  -9.789   2.513  -7.503
  264   1HD   ARG  26          1HD       ARG  26  -9.514   2.902  -9.767
  265   2HD   ARG  26          2HD       ARG  26  -7.762   2.821  -9.720
  266    HE   ARG  26           HE       ARG  26  -9.645   0.591  -9.922
  267   1HH1  ARG  26          1HH1      ARG  26  -6.279   1.485  -9.162
  268   2HH1  ARG  26          2HH1      ARG  26  -5.701  -0.152  -9.315
  269   1HH2  ARG  26          1HH2      ARG  26  -8.855  -1.508 -10.149
  270   2HH2  ARG  26          2HH2      ARG  26  -7.165  -1.863  -9.863
  271    H    ASN  27           H        ASN  27 -10.031   2.546  -5.293
  272    HA   ASN  27           HA       ASN  27 -12.269   4.259  -5.551
  273   1HB   ASN  27          1HB       ASN  27 -12.370   1.813  -5.758
  274   2HB   ASN  27          2HB       ASN  27 -12.042   1.656  -4.031
  275   1HD2  ASN  27          1HD2      ASN  27 -14.307   3.361  -6.284
  276   2HD2  ASN  27          2HD2      ASN  27 -15.696   3.289  -5.220
  277    H    CYS  28           H        CYS  28 -10.348   3.241  -2.800
  278    HA   CYS  28           HA       CYS  28 -11.768   3.678  -0.594
  279   1HB   CYS  28          1HB       CYS  28  -9.325   2.999  -0.917
  280   2HB   CYS  28          2HB       CYS  28  -8.941   4.710  -0.856
  281    H    ARG  29           H        ARG  29 -12.993   5.287   0.191
  282    HA   ARG  29           HA       ARG  29 -12.623   8.077  -0.597
  283   1HB   ARG  29          1HB       ARG  29 -14.829   6.970  -0.380
  284   2HB   ARG  29          2HB       ARG  29 -14.570   6.799   1.362
  285   1HG   ARG  29          1HG       ARG  29 -14.552   9.252   1.622
  286   2HG   ARG  29          2HG       ARG  29 -14.537   9.465  -0.137
  287   1HD   ARG  29          1HD       ARG  29 -16.779   9.859   0.756
  288   2HD   ARG  29          2HD       ARG  29 -16.754   8.453  -0.327
  289    HE   ARG  29           HE       ARG  29 -16.350   7.687   2.427
  290   1HH1  ARG  29          1HH1      ARG  29 -18.897   8.666   0.154
  291   2HH1  ARG  29          2HH1      ARG  29 -20.155   7.798   0.995
  292   1HH2  ARG  29          1HH2      ARG  29 -18.012   6.556   3.520
  293   2HH2  ARG  29          2HH2      ARG  29 -19.650   6.598   2.920
  294    H    ALA  30           H        ALA  30 -10.338   7.833   0.264
  295    HA   ALA  30           HA       ALA  30 -10.068   9.175   2.803
  296   1HB   ALA  30          1HB       ALA  30 -10.244   6.788   3.578
  297   2HB   ALA  30          2HB       ALA  30  -8.931   6.353   2.465
  298   3HB   ALA  30          3HB       ALA  30  -8.608   7.424   3.831
  299    HA   PRO  31           HA       PRO  31  -6.517  10.490   0.374
  300   1HB   PRO  31          1HB       PRO  31  -4.734  11.310   2.297
  301   2HB   PRO  31          2HB       PRO  31  -6.214  12.220   1.875
  302   1HG   PRO  31          1HG       PRO  31  -5.847  10.259   4.155
  303   2HG   PRO  31          2HG       PRO  31  -6.541  11.906   4.228
  304   1HD   PRO  31          1HD       PRO  31  -8.122   9.713   4.058
  305   2HD   PRO  31          2HD       PRO  31  -8.542  11.193   3.149
  306    H    ARG  32           H        ARG  32  -4.905   9.308  -0.553
  307    HA   ARG  32           HA       ARG  32  -4.229   6.725   0.684
  308   1HB   ARG  32          1HB       ARG  32  -3.505   6.053  -1.521
  309   2HB   ARG  32          2HB       ARG  32  -5.130   6.721  -1.531
  310   1HG   ARG  32          1HG       ARG  32  -4.167   7.526  -3.466
  311   2HG   ARG  32          2HG       ARG  32  -4.135   8.923  -2.385
  312   1HD   ARG  32          1HD       ARG  32  -1.725   8.541  -1.972
  313   2HD   ARG  32          2HD       ARG  32  -1.803   7.031  -2.914
  314    HE   ARG  32           HE       ARG  32  -2.713   9.256  -4.471
  315   1HH1  ARG  32          1HH1      ARG  32   0.273   7.831  -3.151
  316   2HH1  ARG  32          2HH1      ARG  32   1.282   8.508  -4.412
  317   1HH2  ARG  32          1HH2      ARG  32  -1.343  10.194  -6.056
  318   2HH2  ARG  32          2HH2      ARG  32   0.327   9.707  -6.154
  319    H    LYS  33           H        LYS  33  -1.968   5.840   0.233
  320    HA   LYS  33           HA       LYS  33  -0.158   7.534   1.686
  321   1HB   LYS  33          1HB       LYS  33  -0.678   5.229   2.281
  322   2HB   LYS  33          2HB       LYS  33  -0.279   4.696   0.653
  323   1HG   LYS  33          1HG       LYS  33   1.366   4.014   2.094
  324   2HG   LYS  33          2HG       LYS  33   2.111   5.222   1.044
  325   1HD   LYS  33          1HD       LYS  33   1.656   6.884   2.974
  326   2HD   LYS  33          2HD       LYS  33   1.181   5.478   3.947
  327   1HE   LYS  33          1HE       LYS  33   3.926   5.991   2.705
  328   2HE   LYS  33          2HE       LYS  33   3.504   6.174   4.412
  329   1HZ   LYS  33          1HZ       LYS  33   3.044   3.818   4.475
  330   2HZ   LYS  33          2HZ       LYS  33   3.503   3.648   2.899
  331   3HZ   LYS  33          3HZ       LYS  33   4.598   4.122   4.023
  332    H    LYS  34           H        LYS  34   1.887   8.087   1.014
  333    HA   LYS  34           HA       LYS  34   2.309   8.504  -1.872
  334   1HB   LYS  34          1HB       LYS  34   2.589  10.348  -0.261
  335   2HB   LYS  34          2HB       LYS  34   3.797   9.415   0.625
  336   1HG   LYS  34          1HG       LYS  34   5.222   9.414  -1.512
  337   2HG   LYS  34          2HG       LYS  34   3.994  10.469  -2.225
  338   1HD   LYS  34          1HD       LYS  34   5.725  11.894  -1.467
  339   2HD   LYS  34          2HD       LYS  34   4.415  12.086  -0.289
  340   1HE   LYS  34          1HE       LYS  34   5.623  10.525   1.265
  341   2HE   LYS  34          2HE       LYS  34   6.887  10.307   0.041
  342   1HZ   LYS  34          1HZ       LYS  34   7.359  12.647   0.234
  343   2HZ   LYS  34          2HZ       LYS  34   6.205  12.814   1.403
  344   3HZ   LYS  34          3HZ       LYS  34   7.529  11.868   1.674
  345    H    GLY  35           H        GLY  35   4.173   7.302   0.942
  346   1HA   GLY  35          1HA       GLY  35   6.296   6.159  -0.590
  347   2HA   GLY  35          2HA       GLY  35   5.966   6.002   1.150
  348    H    CYS  36           H        CYS  36   6.899   3.869   0.720
  349    HA   CYS  36           HA       CYS  36   5.689   1.881  -0.842
  350   1HB   CYS  36          1HB       CYS  36   7.976   1.919   0.098
  351   2HB   CYS  36          2HB       CYS  36   7.301   1.588   1.703
  352    H    TRP  37           H        TRP  37   3.822   0.686  -0.543
  353    HA   TRP  37           HA       TRP  37   2.128   1.167   1.731
  354   1HB   TRP  37          1HB       TRP  37   2.067  -0.813  -0.582
  355   2HB   TRP  37          2HB       TRP  37   0.832  -0.752   0.667
  356    HD1  TRP  37           HD1      TRP  37   0.681   2.545   0.718
  357    HE1  TRP  37           HE1      TRP  37  -0.819   3.617  -1.070
  358    HE3  TRP  37           HE3      TRP  37   0.756  -1.177  -2.819
  359    HZ2  TRP  37           HZ2      TRP  37  -2.014   2.885  -3.530
  360    HZ3  TRP  37           HZ3      TRP  37  -0.415  -0.837  -4.976
  361    HH2  TRP  37           HH2      TRP  37  -1.906   1.124  -5.294
  362    H    LYS  38           H        LYS  38   3.894  -1.777   0.640
  363    HA   LYS  38           HA       LYS  38   3.175  -3.250   2.977
  364   1HB   LYS  38          1HB       LYS  38   5.098  -3.698   0.666
  365   2HB   LYS  38          2HB       LYS  38   4.995  -4.833   2.017
  366   1HG   LYS  38          1HG       LYS  38   2.538  -4.993   1.706
  367   2HG   LYS  38          2HG       LYS  38   2.664  -3.948   0.283
  368   1HD   LYS  38          1HD       LYS  38   4.151  -5.682  -0.786
  369   2HD   LYS  38          2HD       LYS  38   3.959  -6.691   0.662
  370   1HE   LYS  38          1HE       LYS  38   1.463  -6.677   0.288
  371   2HE   LYS  38          2HE       LYS  38   1.734  -5.776  -1.218
  372   1HZ   LYS  38          1HZ       LYS  38   3.089  -7.647  -1.956
  373   2HZ   LYS  38          2HZ       LYS  38   2.723  -8.473  -0.598
  374   3HZ   LYS  38          3HZ       LYS  38   1.522  -8.087  -1.663
  375    H    CYS  39           H        CYS  39   6.512  -2.312   2.004
  376    HA   CYS  39           HA       CYS  39   7.446  -2.846   4.638
  377   1HB   CYS  39          1HB       CYS  39   9.484  -2.663   3.897
  378   2HB   CYS  39          2HB       CYS  39   8.750  -2.665   2.304
  379    H    GLY  40           H        GLY  40   6.199   0.185   3.260
  380   1HA   GLY  40          1HA       GLY  40   5.133   1.699   4.746
  381   2HA   GLY  40          2HA       GLY  40   6.299   1.338   6.006
  382    H    LYS  41           H        LYS  41   8.670   1.515   4.535
  383    HA   LYS  41           HA       LYS  41   9.327   4.214   4.953
  384   1HB   LYS  41          1HB       LYS  41  10.728   2.100   3.294
  385   2HB   LYS  41          2HB       LYS  41  11.439   3.662   3.751
  386   1HG   LYS  41          1HG       LYS  41  11.437   3.105   6.064
  387   2HG   LYS  41          2HG       LYS  41  10.426   1.676   5.822
  388   1HD   LYS  41          1HD       LYS  41  12.723   0.981   6.193
  389   2HD   LYS  41          2HD       LYS  41  12.192   0.545   4.572
  390   1HE   LYS  41          1HE       LYS  41  14.485   1.365   4.532
  391   2HE   LYS  41          2HE       LYS  41  13.447   2.461   3.617
  392   1HZ   LYS  41          1HZ       LYS  41  14.371   2.861   6.380
  393   2HZ   LYS  41          2HZ       LYS  41  14.970   3.615   5.044
  394   3HZ   LYS  41          3HZ       LYS  41  13.423   3.909   5.529
  395    H    GLU  42           H        GLU  42   9.429   6.021   3.688
  396    HA   GLU  42           HA       GLU  42   8.163   5.857   1.026
  397   1HB   GLU  42          1HB       GLU  42   7.816   8.218   1.195
  398   2HB   GLU  42          2HB       GLU  42   7.263   7.434   2.664
  399   1HG   GLU  42          1HG       GLU  42   9.209   8.200   3.904
  400   2HG   GLU  42          2HG       GLU  42   9.971   8.812   2.425
  401    H    GLY  43           H        GLY  43   9.097   7.951  -0.311
  402   1HA   GLY  43          1HA       GLY  43  10.824   8.697  -1.644
  403   2HA   GLY  43          2HA       GLY  43  11.994   7.759  -0.704
  404    H    HIS  44           H        HIS  44   9.416   5.705  -1.446
  405    HA   HIS  44           HA       HIS  44   9.971   4.948  -4.143
  406   1HB   HIS  44          1HB       HIS  44  11.049   2.809  -3.672
  407   2HB   HIS  44          2HB       HIS  44  12.065   4.104  -3.068
  408    HD1  HIS  44           HD1      HIS  44  12.268   4.350  -0.437
  409    HD2  HIS  44           HD2      HIS  44   9.971   1.095  -1.721
  410    HE1  HIS  44           HE1      HIS  44  11.995   2.797   1.546
  411    H    GLN  45           H        GLN  45   8.487   3.276  -4.780
  412    HA   GLN  45           HA       GLN  45   6.111   3.003  -3.039
  413   1HB   GLN  45          1HB       GLN  45   6.657   2.147  -5.909
  414   2HB   GLN  45          2HB       GLN  45   5.103   2.046  -5.088
  415   1HG   GLN  45          1HG       GLN  45   5.120   4.526  -4.765
  416   2HG   GLN  45          2HG       GLN  45   6.603   4.619  -5.731
  417   1HE2  GLN  45          1HE2      GLN  45   6.280   3.047  -7.873
  418   2HE2  GLN  45          2HE2      GLN  45   4.850   3.454  -8.794
  419    H    MET  46           H        MET  46   5.044   0.749  -3.188
  420    HA   MET  46           HA       MET  46   6.726  -1.302  -2.096
  421   1HB   MET  46          1HB       MET  46   4.523  -1.180  -1.415
  422   2HB   MET  46          2HB       MET  46   3.859  -1.159  -3.028
  423   1HG   MET  46          1HG       MET  46   5.430  -3.512  -1.896
  424   2HG   MET  46          2HG       MET  46   3.695  -3.317  -1.653
  425   1HE   MET  46          1HE       MET  46   1.842  -3.691  -3.301
  426   2HE   MET  46          2HE       MET  46   2.413  -2.403  -4.389
  427   3HE   MET  46          3HE       MET  46   2.060  -4.016  -5.035
  428    H    LYS  47           H        LYS  47   5.483  -0.662  -5.312
  429    HA   LYS  47           HA       LYS  47   6.450  -2.887  -6.733
  430   1HB   LYS  47          1HB       LYS  47   6.275   0.060  -7.464
  431   2HB   LYS  47          2HB       LYS  47   6.682  -1.183  -8.649
  432   1HG   LYS  47          1HG       LYS  47   4.125  -1.306  -7.005
  433   2HG   LYS  47          2HG       LYS  47   4.250  -0.380  -8.513
  434   1HD   LYS  47          1HD       LYS  47   4.969  -2.437  -9.715
  435   2HD   LYS  47          2HD       LYS  47   4.749  -3.376  -8.222
  436   1HE   LYS  47          1HE       LYS  47   2.360  -2.724  -8.163
  437   2HE   LYS  47          2HE       LYS  47   2.580  -1.764  -9.640
  438   1HZ   LYS  47          1HZ       LYS  47   3.024  -4.661  -9.463
  439   2HZ   LYS  47          2HZ       LYS  47   1.648  -3.942 -10.010
  440   3HZ   LYS  47          3HZ       LYS  47   3.064  -3.729 -10.830
  441    H    ASP  48           H        ASP  48   8.084   0.224  -6.082
  442    HA   ASP  48           HA       ASP  48  10.535  -0.335  -7.370
  443   1HB   ASP  48          1HB       ASP  48   9.890   1.587  -5.120
  444   2HB   ASP  48          2HB       ASP  48  11.274   1.702  -6.204
  445    H    CYS  49           H        CYS  49   9.537  -0.495  -4.017
  446    HA   CYS  49           HA       CYS  49  11.513  -0.591  -2.384
  447   1HB   CYS  49          1HB       CYS  49   9.096  -1.219  -1.963
  448   2HB   CYS  49          2HB       CYS  49   9.536  -2.872  -2.375
  449    H    THR  50           H        THR  50  13.286  -1.598  -1.753
  450    HA   THR  50           HA       THR  50  14.187  -4.101  -3.114
  451    HB   THR  50           HB       THR  50  16.454  -3.207  -2.648
  452    HG1  THR  50           HG1      THR  50  16.606  -1.073  -1.899
  453   1HG2  THR  50          1HG2      THR  50  14.696  -1.184  -4.113
  454   2HG2  THR  50          2HG2      THR  50  16.439  -1.435  -4.318
  455   3HG2  THR  50          3HG2      THR  50  15.297  -2.706  -4.808
  456    H    GLU  51           H        GLU  51  12.924  -3.018  -0.215
  457    HA   GLU  51           HA       GLU  51  14.712  -4.154   1.686
  458   1HB   GLU  51          1HB       GLU  51  11.808  -3.318   1.941
  459   2HB   GLU  51          2HB       GLU  51  12.911  -3.646   3.279
  460   1HG   GLU  51          1HG       GLU  51  13.374  -1.472   1.180
  461   2HG   GLU  51          2HG       GLU  51  12.545  -1.216   2.714
  462    H    ARG  52           H        ARG  52  11.379  -5.201   2.062
  463    HA   ARG  52           HA       ARG  52  12.187  -8.046   1.793
  464   1HB   ARG  52          1HB       ARG  52  11.139  -7.045   3.861
  465   2HB   ARG  52          2HB       ARG  52   9.619  -6.957   2.980
  466   1HG   ARG  52          1HG       ARG  52  11.308  -9.476   3.456
  467   2HG   ARG  52          2HG       ARG  52   9.960  -8.974   4.473
  468   1HD   ARG  52          1HD       ARG  52   9.760  -9.824   1.561
  469   2HD   ARG  52          2HD       ARG  52   9.278 -10.761   2.979
  470    HE   ARG  52           HE       ARG  52   7.892  -8.380   3.234
  471   1HH1  ARG  52          1HH1      ARG  52   7.968 -11.008   0.829
  472   2HH1  ARG  52          2HH1      ARG  52   6.374 -10.610   0.211
  473   1HH2  ARG  52          1HH2      ARG  52   5.816  -7.910   2.370
  474   2HH2  ARG  52          2HH2      ARG  52   5.204  -8.877   1.038
  475    H    GLN  53           H        GLN  53  12.355  -7.357  -0.526
  476    HA   GLN  53           HA       GLN  53   9.802  -7.128  -1.995
  477   1HB   GLN  53          1HB       GLN  53  11.642  -5.652  -2.552
  478   2HB   GLN  53          2HB       GLN  53  12.631  -7.044  -3.023
  479   1HG   GLN  53          1HG       GLN  53  11.575  -6.037  -4.975
  480   2HG   GLN  53          2HG       GLN  53  10.952  -7.669  -4.743
  481   1HE2  GLN  53          1HE2      GLN  53  10.222  -4.194  -4.446
  482   2HE2  GLN  53          2HE2      GLN  53   8.479  -4.356  -4.410
  483    H    ALA  54           H        ALA  54   8.759  -8.953  -2.384
  484    HA   ALA  54           HA       ALA  54   9.903 -11.149  -3.831
  485   1HB   ALA  54          1HB       ALA  54   9.141 -11.658  -0.915
  486   2HB   ALA  54          2HB       ALA  54   9.442 -12.914  -2.133
  487   3HB   ALA  54          3HB       ALA  54  10.757 -11.842  -1.625
  488    H    ASN  55           H        ASN  55   7.319 -10.162  -1.572
  489    HA   ASN  55           HA       ASN  55   5.291 -10.325  -3.643
  490   1HB   ASN  55          1HB       ASN  55   5.366 -12.675  -2.884
  491   2HB   ASN  55          2HB       ASN  55   5.120 -12.170  -1.211
  492   1HD2  ASN  55          1HD2      ASN  55   3.055 -10.972  -0.742
  493   2HD2  ASN  55          2HD2      ASN  55   1.615 -11.438  -1.641
  Start of MODEL    2
    1   1H5*    G 101          1H5*        G 101 -20.896  -0.877  -4.586
    2   2H5*    G 101          2H5*        G 101 -22.433  -0.011  -4.235
    3    H4*    G 101           H4*        G 101 -23.408  -1.410  -5.788
    4    H3*    G 101           H3*        G 101 -23.296  -3.238  -3.797
    5    H1*    G 101           H1*        G 101 -20.841  -4.051  -6.712
    6    H8     G 101           H8         G 101 -19.264  -3.998  -3.813
    7    H1     G 101           H1         G 101 -15.838  -0.096  -7.592
    8   1H2     G 101          1H2         G 101 -17.019   0.391  -9.434
    9   2H2     G 101          2H2         G 101 -18.621  -0.264  -9.707
   10    H5T    G 101           H5T        G 101 -21.277  -0.897  -2.452
   11   1H2*    G 101          1H2*        G 101 -21.183  -3.580  -3.977
   12   2H2*    G 101          2H2*        G 101 -21.581  -4.939  -4.809
   13   1H5*    T 102          1H5*        T 102 -24.863  -7.107  -7.062
   14   2H5*    T 102          2H5*        T 102 -25.577  -7.772  -5.603
   15    H4*    T 102           H4*        T 102 -24.334  -9.579  -6.041
   16    H3*    T 102           H3*        T 102 -22.870  -8.292  -4.159
   17   1H2*    T 102          1H2*        T 102 -21.859  -6.855  -5.676
   18   2H2*    T 102          2H2*        T 102 -20.532  -7.896  -5.596
   19    H1*    T 102           H1*        T 102 -21.168  -9.234  -7.429
   20    H3     T 102           H3         T 102 -20.357  -7.063 -11.413
   21   1H5M    T 102          1H5M        T 102 -23.072  -3.683  -8.138
   22   2H5M    T 102          2H5M        T 102 -23.065  -3.493  -9.895
   23   3H5M    T 102          3H5M        T 102 -21.638  -3.014  -8.956
   24    H6     T 102           H6         T 102 -22.373  -5.783  -7.234
   25   1H5*    C 103          1H5*        C 103 -20.086 -11.390  -6.458
   26   2H5*    C 103          2H5*        C 103 -18.846 -12.016  -5.352
   27    H4*    C 103           H4*        C 103 -17.878 -11.337  -7.486
   28    H3*    C 103           H3*        C 103 -17.030  -9.925  -4.988
   29    H1*    C 103           H1*        C 103 -16.967  -9.489  -8.702
   30   1H4     C 103          1H4         C 103 -18.091  -3.658 -11.186
   31   2H4     C 103          2H4         C 103 -18.791  -3.075  -9.687
   32    H5     C 103           H5         C 103 -18.935  -4.495  -7.662
   33    H6     C 103           H6         C 103 -18.519  -6.702  -6.764
   34   1H2*    C 103          1H2*        C 103 -16.773  -7.925  -6.114
   35   2H2*    C 103          2H2*        C 103 -15.523  -8.685  -7.075
   36   1H5*    C 104          1H5*        C 104 -14.178 -11.214  -8.549
   37   2H5*    C 104          2H5*        C 104 -12.605 -11.704  -7.878
   38    H4*    C 104           H4*        C 104 -12.313 -10.401  -9.974
   39    H3*    C 104           H3*        C 104 -11.228  -9.549  -7.355
   40    H1*    C 104           H1*        C 104 -12.235  -7.737 -10.579
   41   1H4     C 104          1H4         C 104 -15.622  -2.405  -9.597
   42   2H4     C 104          2H4         C 104 -16.351  -3.052  -8.134
   43    H5     C 104           H5         C 104 -15.665  -5.262  -7.160
   44    H6     C 104           H6         C 104 -14.215  -7.131  -7.492
   45   1H2*    C 104          1H2*        C 104 -11.689  -7.402  -7.629
   46   2H2*    C 104          2H2*        C 104 -10.549  -7.337  -9.018
   47   1H5*    C 105          1H5*        C 105  -8.443  -8.061 -10.777
   48   2H5*    C 105          2H5*        C 105  -6.775  -8.308 -10.229
   49    H4*    C 105           H4*        C 105  -7.081  -6.085 -11.171
   50    H3*    C 105           H3*        C 105  -5.831  -6.522  -8.673
   51    H1*    C 105           H1*        C 105  -7.952  -3.687  -9.516
   52   1H4     C 105          1H4         C 105 -13.575  -2.008  -6.931
   53   2H4     C 105          2H4         C 105 -13.631  -3.464  -5.936
   54    H5     C 105           H5         C 105 -12.026  -5.318  -6.273
   55    H6     C 105           H6         C 105  -9.962  -5.942  -7.348
   56   1H2*    C 105          1H2*        C 105  -7.772  -5.906  -7.451
   57   2H2*    C 105          2H2*        C 105  -6.888  -4.354  -7.482
   58   1H5*    T 106          1H5*        T 106  -4.696  -2.226 -10.942
   59   2H5*    T 106          2H5*        T 106  -3.017  -2.032 -11.480
   60    H4*    T 106           H4*        T 106  -3.530  -0.583  -9.503
   61    H3*    T 106           H3*        T 106  -1.535  -2.818  -9.245
   62   1H2*    T 106          1H2*        T 106  -1.306  -2.448  -6.882
   63   2H2*    T 106          2H2*        T 106  -1.912  -0.791  -7.035
   64    H1*    T 106           H1*        T 106  -3.937  -1.511  -6.452
   65    H3     T 106           H3         T 106  -2.827  -6.754  -6.897
   66   1H5M    T 106          1H5M        T 106  -7.009  -5.081  -4.749
   67   2H5M    T 106          2H5M        T 106  -6.073  -6.061  -3.590
   68   3H5M    T 106          3H5M        T 106  -6.105  -4.289  -3.428
   69    H6     T 106           H6         T 106  -5.238  -2.928  -5.290
   70   1H5*    G 107          1H5*        G 107   0.382   1.103 -10.955
   71   2H5*    G 107          2H5*        G 107   1.999   1.718 -10.610
   72    H4*    G 107           H4*        G 107  -0.220   2.987  -9.824
   73    H3*    G 107           H3*        G 107   2.390   2.906  -8.311
   74    H1*    G 107           H1*        G 107  -1.008   2.961  -6.559
   75    H8     G 107           H8         G 107   1.642   0.444  -6.938
   76    H1     G 107           H1         G 107   2.462   3.753  -1.507
   77   1H2     G 107          1H2         G 107   1.089   5.593  -1.558
   78   2H2     G 107          2H2         G 107   0.029   5.876  -2.912
   79   1H2*    G 107          1H2*        G 107   1.234   4.462  -6.791
   80   2H2*    G 107          2H2*        G 107  -0.113   4.576  -7.940
   81   1H5*    T 108          1H5*        T 108   1.070   7.814 -10.615
   82   2H5*    T 108          2H5*        T 108   1.477   8.713  -9.145
   83    H4*    T 108           H4*        T 108  -0.698   9.372  -9.744
   84    H3*    T 108           H3*        T 108  -0.508   7.990  -7.265
   85   1H2*    T 108          1H2*        T 108  -1.583   6.076  -8.053
   86   2H2*    T 108          2H2*        T 108  -3.046   6.956  -7.572
   87    H1*    T 108           H1*        T 108  -3.341   7.883  -9.685
   88    H3     T 108           H3         T 108  -4.647   5.309 -13.261
   89   1H5M    T 108          1H5M        T 108  -2.314   2.138  -9.517
   90   2H5M    T 108          2H5M        T 108  -3.544   1.544 -10.644
   91   3H5M    T 108          3H5M        T 108  -1.885   1.785 -11.211
   92    H6     T 108           H6         T 108  -2.091   4.438  -9.290
   93   1H5*    T 109          1H5*        T 109  -4.288  11.002  -8.285
   94   2H5*    T 109          2H5*        T 109  -5.106  11.440  -6.773
   95    H4*    T 109           H4*        T 109  -6.651  11.084  -8.695
   96    H3*    T 109           H3*        T 109  -7.209  10.188  -6.129
   97   1H2*    T 109          1H2*        T 109  -6.199   8.119  -6.621
   98   2H2*    T 109          2H2*        T 109  -7.845   7.589  -6.776
   99    H1*    T 109           H1*        T 109  -7.887   8.381  -9.180
  100    H3     T 109           H3         T 109  -6.997   4.609 -11.544
  101   1H5M    T 109          1H5M        T 109  -3.718   4.495  -7.487
  102   2H5M    T 109          2H5M        T 109  -4.351   2.937  -8.069
  103   3H5M    T 109          3H5M        T 109  -5.126   3.755  -6.694
  104    H6     T 109           H6         T 109  -5.511   6.363  -7.339
  105   1H5*    C 110          1H5*        C 110  -9.496   6.977  -8.184
  106   2H5*    C 110          2H5*        C 110 -10.153   8.355  -9.086
  107    H4*    C 110           H4*        C 110 -11.245   6.053  -9.319
  108    H3*    C 110           H3*        C 110 -12.887   8.520  -8.700
  109    H1*    C 110           H1*        C 110 -13.167   4.741  -8.497
  110   1H4     C 110          1H4         C 110 -17.408   4.526  -3.575
  111   2H4     C 110          2H4         C 110 -18.306   3.801  -4.892
  112    H5     C 110           H5         C 110 -17.528   3.917  -7.248
  113    H6     C 110           H6         C 110 -15.678   4.625  -8.668
  114   1H2*    C 110          1H2*        C 110 -14.770   7.182  -8.889
  115   2H2*    C 110          2H2*        C 110 -14.037   6.041 -10.037
  116   1H5*    G 111          1H5*        G 111 -12.055   6.476 -13.030
  117   2H5*    G 111          2H5*        G 111 -13.107   7.163 -14.283
  118    H4*    G 111           H4*        G 111 -13.055   4.755 -14.521
  119    H3*    G 111           H3*        G 111 -15.572   6.136 -14.051
  120    H1*    G 111           H1*        G 111 -14.420   2.754 -13.428
  121    H8     G 111           H8         G 111 -16.475   3.299 -10.479
  122    H1     G 111           H1         G 111 -11.993  -1.176  -9.381
  123   1H2     G 111          1H2         G 111 -10.440  -1.099 -11.014
  124   2H2     G 111          2H2         G 111 -10.587  -0.027 -12.404
  125   1H2*    G 111          1H2*        G 111 -15.759   5.041 -11.940
  126   2H2*    G 111          2H2*        G 111 -16.611   3.849 -12.970
  127   1H5*    G 112          1H5*        G 112 -12.387   4.326 -16.601
  128   2H5*    G 112          2H5*        G 112 -12.657   4.289 -18.350
  129    H4*    G 112           H4*        G 112 -11.175   2.484 -17.599
  130    H3*    G 112           H3*        G 112 -13.345   2.023 -19.310
  131    H1*    G 112           H1*        G 112 -12.314  -0.277 -16.561
  132    H8     G 112           H8         G 112 -15.642   1.506 -15.467
  133    H1     G 112           H1         G 112 -13.658  -3.098 -11.446
  134   1H2     G 112          1H2         G 112 -11.753  -4.032 -12.270
  135   2H2     G 112          2H2         G 112 -10.979  -3.410 -13.715
  136   1H2*    G 112          1H2*        G 112 -14.749   1.217 -17.561
  137   2H2*    G 112          2H2*        G 112 -14.107  -0.324 -18.146
  138   1H5*    G 113          1H5*        G 113 -10.706  -1.353 -17.355
  139   2H5*    G 113          2H5*        G 113  -9.986  -2.027 -18.771
  140    H4*    G 113           H4*        G 113  -9.961  -3.754 -17.157
  141    H3*    G 113           H3*        G 113 -11.327  -4.229 -19.559
  142    H1*    G 113           H1*        G 113 -12.457  -5.390 -16.188
  143    H8     G 113           H8         G 113 -14.768  -2.417 -17.260
  144    H1     G 113           H1         G 113 -16.555  -5.468 -11.908
  145   1H2     G 113          1H2         G 113 -15.261  -7.276 -11.599
  146   2H2     G 113          2H2         G 113 -13.829  -7.548 -12.571
  147   1H2*    G 113          1H2*        G 113 -13.476  -3.848 -18.592
  148   2H2*    G 113          2H2*        G 113 -13.378  -5.609 -18.412
  149   1H5*    C 114          1H5*        C 114 -11.083  -8.049 -16.431
  150   2H5*    C 114          2H5*        C 114 -11.073  -9.507 -17.448
  151    H4*    C 114           H4*        C 114 -12.569  -9.832 -15.534
  152    H3*    C 114           H3*        C 114 -14.047  -9.477 -18.185
  153    H1*    C 114           H1*        C 114 -15.069  -8.830 -14.533
  154   1H4     C 114          1H4         C 114 -19.203  -4.281 -16.380
  155   2H4     C 114          2H4         C 114 -18.314  -3.984 -17.858
  156    H5     C 114           H5         C 114 -16.374  -5.375 -18.543
  157    H6     C 114           H6         C 114 -14.941  -7.187 -17.867
  158    H3T    C 114           H3T        C 114 -14.117 -11.758 -17.977
  159   1H2*    C 114          1H2*        C 114 -16.042  -9.926 -17.005
  160   2H2*    C 114          2H2*        C 114 -15.164 -10.748 -15.686
  161   1H    ASN  12          1H        ASN  12 -11.003 -12.530  -4.858
  162   2H    ASN  12          2H        ASN  12 -11.739 -11.223  -5.618
  163   3H    ASN  12          3H        ASN  12 -10.067 -11.261  -5.443
  164    HA   ASN  12           HA       ASN  12 -11.977 -10.200  -3.743
  165   1HB   ASN  12          1HB       ASN  12 -10.350 -12.458  -2.511
  166   2HB   ASN  12          2HB       ASN  12 -11.274 -11.258  -1.601
  167   1HD2  ASN  12          1HD2      ASN  12 -13.698 -11.118  -2.142
  168   2HD2  ASN  12          2HD2      ASN  12 -14.501 -12.640  -2.450
  169    H    VAL  13           H        VAL  13 -11.092  -8.591  -2.465
  170    HA   VAL  13           HA       VAL  13  -8.149  -8.153  -2.580
  171    HB   VAL  13           HB       VAL  13  -8.616  -5.772  -3.078
  172   1HG1  VAL  13          1HG1      VAL  13  -7.987  -7.343  -4.899
  173   2HG1  VAL  13          2HG1      VAL  13  -9.721  -7.544  -5.279
  174   3HG1  VAL  13          3HG1      VAL  13  -8.953  -5.950  -5.408
  175   1HG2  VAL  13          1HG2      VAL  13 -10.967  -5.589  -2.345
  176   2HG2  VAL  13          2HG2      VAL  13 -10.753  -5.039  -4.006
  177   3HG2  VAL  13          3HG2      VAL  13 -11.474  -6.624  -3.701
  178    H    LYS  14           H        LYS  14  -7.460  -6.487  -1.133
  179    HA   LYS  14           HA       LYS  14  -9.222  -5.616   1.011
  180   1HB   LYS  14          1HB       LYS  14  -6.780  -6.301   2.307
  181   2HB   LYS  14          2HB       LYS  14  -8.432  -6.724   2.697
  182   1HG   LYS  14          1HG       LYS  14  -8.194  -8.715   1.126
  183   2HG   LYS  14          2HG       LYS  14  -6.517  -8.215   0.821
  184   1HD   LYS  14          1HD       LYS  14  -6.565  -9.999   2.455
  185   2HD   LYS  14          2HD       LYS  14  -6.014  -8.512   3.246
  186   1HE   LYS  14          1HE       LYS  14  -8.220  -8.196   4.289
  187   2HE   LYS  14          2HE       LYS  14  -8.896  -9.535   3.341
  188   1HZ   LYS  14          1HZ       LYS  14  -6.797  -9.744   5.380
  189   2HZ   LYS  14          2HZ       LYS  14  -8.381 -10.156   5.567
  190   3HZ   LYS  14          3HZ       LYS  14  -7.430 -11.002   4.519
  191    H    CYS  15           H        CYS  15  -9.103  -3.588   0.646
  192    HA   CYS  15           HA       CYS  15  -7.418  -2.132  -0.922
  193   1HB   CYS  15          1HB       CYS  15  -9.572  -1.382  -0.174
  194   2HB   CYS  15          2HB       CYS  15  -9.066  -1.428   1.516
  195    H    PHE  16           H        PHE  16  -5.306  -1.390  -0.790
  196    HA   PHE  16           HA       PHE  16  -3.622  -1.827   1.442
  197   1HB   PHE  16          1HB       PHE  16  -3.381   0.174  -0.828
  198   2HB   PHE  16          2HB       PHE  16  -2.100  -0.279   0.273
  199    HD1  PHE  16           HD1      PHE  16  -3.623  -1.020  -2.872
  200    HD2  PHE  16           HD2      PHE  16  -1.442  -2.818   0.386
  201    HE1  PHE  16           HE1      PHE  16  -2.563  -2.600  -4.439
  202    HE2  PHE  16           HE2      PHE  16  -0.541  -4.527  -1.173
  203    HZ   PHE  16           HZ       PHE  16  -1.066  -4.383  -3.611
  204    H    ASN  17           H        ASN  17  -5.332   1.077   0.302
  205    HA   ASN  17           HA       ASN  17  -4.273   2.957   2.068
  206   1HB   ASN  17          1HB       ASN  17  -5.382   3.428  -0.048
  207   2HB   ASN  17          2HB       ASN  17  -6.923   2.873   0.590
  208   1HD2  ASN  17          1HD2      ASN  17  -7.319   5.172  -0.450
  209   2HD2  ASN  17          2HD2      ASN  17  -7.250   6.484   0.698
  210    H    CYS  18           H        CYS  18  -6.919   0.622   2.719
  211    HA   CYS  18           HA       CYS  18  -7.138   1.785   5.446
  212   1HB   CYS  18          1HB       CYS  18  -9.388   2.206   5.390
  213   2HB   CYS  18          2HB       CYS  18  -8.819   2.845   3.868
  214    H    GLY  19           H        GLY  19  -7.552  -1.050   3.362
  215   1HA   GLY  19          1HA       GLY  19  -7.085  -3.220   4.284
  216   2HA   GLY  19          2HA       GLY  19  -7.869  -2.756   5.796
  217    H    LYS  20           H        LYS  20 -10.201  -1.552   4.788
  218    HA   LYS  20           HA       LYS  20 -11.874  -3.766   4.639
  219   1HB   LYS  20          1HB       LYS  20 -12.421  -0.903   3.815
  220   2HB   LYS  20          2HB       LYS  20 -13.661  -2.161   3.955
  221   1HG   LYS  20          1HG       LYS  20 -13.038  -2.535   6.316
  222   2HG   LYS  20          2HG       LYS  20 -11.843  -1.222   6.221
  223   1HD   LYS  20          1HD       LYS  20 -13.654   0.382   5.661
  224   2HD   LYS  20          2HD       LYS  20 -14.845  -0.936   5.750
  225   1HE   LYS  20          1HE       LYS  20 -14.233  -1.318   8.136
  226   2HE   LYS  20          2HE       LYS  20 -13.071   0.020   8.047
  227   1HZ   LYS  20          1HZ       LYS  20 -15.974   0.236   7.652
  228   2HZ   LYS  20          2HZ       LYS  20 -15.142   0.697   8.997
  229   3HZ   LYS  20          3HZ       LYS  20 -14.900   1.485   7.570
  230    H    GLU  21           H        GLU  21 -12.794  -4.975   3.133
  231    HA   GLU  21           HA       GLU  21 -11.555  -5.149   0.559
  232   1HB   GLU  21          1HB       GLU  21 -13.912  -6.720   1.667
  233   2HB   GLU  21          2HB       GLU  21 -12.787  -7.214   0.424
  234   1HG   GLU  21          1HG       GLU  21 -12.163  -8.425   2.298
  235   2HG   GLU  21          2HG       GLU  21 -10.911  -7.220   1.982
  236    H    GLY  22           H        GLY  22 -13.616  -6.183  -0.905
  237   1HA   GLY  22          1HA       GLY  22 -15.288  -5.671  -2.413
  238   2HA   GLY  22          2HA       GLY  22 -15.741  -4.268  -1.432
  239    H    HIS  23           H        HIS  23 -13.649  -2.657  -1.367
  240    HA   HIS  23           HA       HIS  23 -13.116  -1.856  -4.176
  241   1HB   HIS  23          1HB       HIS  23 -12.632   0.310  -3.107
  242   2HB   HIS  23          2HB       HIS  23 -14.298  -0.134  -2.955
  243    HD1  HIS  23           HD1      HIS  23 -14.923  -0.840  -0.314
  244    HD2  HIS  23           HD2      HIS  23 -11.094   0.684  -0.996
  245    HE1  HIS  23           HE1      HIS  23 -13.941  -0.245   1.952
  246    H    THR  24           H        THR  24 -11.078  -0.620  -4.362
  247    HA   THR  24           HA       THR  24  -8.796  -1.863  -2.882
  248    HB   THR  24           HB       THR  24  -7.492  -1.580  -4.977
  249    HG1  THR  24           HG1      THR  24  -8.762  -1.255  -6.883
  250   1HG2  THR  24          1HG2      THR  24  -9.992  -3.225  -5.340
  251   2HG2  THR  24          2HG2      THR  24  -8.388  -3.493  -6.059
  252   3HG2  THR  24          3HG2      THR  24  -8.629  -3.680  -4.307
  253    H    ALA  25           H        ALA  25  -6.802  -0.267  -3.503
  254    HA   ALA  25           HA       ALA  25  -7.017   2.013  -1.960
  255   1HB   ALA  25          1HB       ALA  25  -5.125   1.408  -4.279
  256   2HB   ALA  25          2HB       ALA  25  -4.858   2.647  -3.032
  257   3HB   ALA  25          3HB       ALA  25  -4.911   0.931  -2.583
  258    H    ARG  26           H        ARG  26  -7.545   1.765  -5.520
  259    HA   ARG  26           HA       ARG  26  -7.539   4.562  -5.974
  260   1HB   ARG  26          1HB       ARG  26  -8.307   4.082  -8.143
  261   2HB   ARG  26          2HB       ARG  26  -7.175   2.788  -7.674
  262   1HG   ARG  26          1HG       ARG  26  -9.087   1.309  -7.174
  263   2HG   ARG  26          2HG       ARG  26 -10.187   2.569  -7.726
  264   1HD   ARG  26          1HD       ARG  26  -8.091   1.153  -9.394
  265   2HD   ARG  26          2HD       ARG  26  -9.837   0.924  -9.480
  266    HE   ARG  26           HE       ARG  26  -8.259   2.925 -10.778
  267   1HH1  ARG  26          1HH1      ARG  26 -11.484   2.605  -9.247
  268   2HH1  ARG  26          2HH1      ARG  26 -12.172   3.859 -10.241
  269   1HH2  ARG  26          1HH2      ARG  26  -9.226   4.612 -11.991
  270   2HH2  ARG  26          2HH2      ARG  26 -10.910   4.998 -11.760
  271    H    ASN  27           H        ASN  27 -10.252   2.277  -5.380
  272    HA   ASN  27           HA       ASN  27 -12.255   4.357  -5.545
  273   1HB   ASN  27          1HB       ASN  27 -12.288   1.432  -4.788
  274   2HB   ASN  27          2HB       ASN  27 -13.648   2.470  -4.377
  275   1HD2  ASN  27          1HD2      ASN  27 -15.228   1.810  -5.761
  276   2HD2  ASN  27          2HD2      ASN  27 -15.075   1.862  -7.507
  277    H    CYS  28           H        CYS  28 -10.029   3.347  -3.090
  278    HA   CYS  28           HA       CYS  28 -11.670   4.167  -0.846
  279   1HB   CYS  28          1HB       CYS  28  -9.820   2.453  -0.856
  280   2HB   CYS  28          2HB       CYS  28  -8.675   3.759  -0.880
  281    H    ARG  29           H        ARG  29 -12.273   6.357  -1.093
  282    HA   ARG  29           HA       ARG  29 -10.185   8.391  -1.555
  283   1HB   ARG  29          1HB       ARG  29 -13.116   8.845  -0.914
  284   2HB   ARG  29          2HB       ARG  29 -11.937   9.963  -1.624
  285   1HG   ARG  29          1HG       ARG  29 -11.755   8.112  -3.525
  286   2HG   ARG  29          2HG       ARG  29 -13.286   7.540  -2.841
  287   1HD   ARG  29          1HD       ARG  29 -13.914   9.010  -4.583
  288   2HD   ARG  29          2HD       ARG  29 -14.128   9.957  -3.098
  289    HE   ARG  29           HE       ARG  29 -11.491  10.177  -4.400
  290   1HH1  ARG  29          1HH1      ARG  29 -14.778  11.526  -4.407
  291   2HH1  ARG  29          2HH1      ARG  29 -14.273  13.035  -5.125
  292   1HH2  ARG  29          1HH2      ARG  29 -10.870  12.084  -5.342
  293   2HH2  ARG  29          2HH2      ARG  29 -12.012  13.375  -5.651
  294    H    ALA  30           H        ALA  30  -9.193   7.199   0.433
  295    HA   ALA  30           HA       ALA  30  -9.911   8.682   2.917
  296   1HB   ALA  30          1HB       ALA  30 -10.461   6.262   3.079
  297   2HB   ALA  30          2HB       ALA  30  -8.756   5.877   2.741
  298   3HB   ALA  30          3HB       ALA  30  -9.198   6.743   4.216
  299    HA   PRO  31           HA       PRO  31  -5.760  10.215   2.991
  300   1HB   PRO  31          1HB       PRO  31  -5.495   9.168   5.818
  301   2HB   PRO  31          2HB       PRO  31  -5.125  10.791   5.175
  302   1HG   PRO  31          1HG       PRO  31  -7.420  10.355   6.542
  303   2HG   PRO  31          2HG       PRO  31  -7.467  11.310   5.028
  304   1HD   PRO  31          1HD       PRO  31  -8.111   8.364   5.378
  305   2HD   PRO  31          2HD       PRO  31  -9.062   9.627   4.571
  306    H    ARG  32           H        ARG  32  -4.575   8.983   1.570
  307    HA   ARG  32           HA       ARG  32  -3.659   6.280   2.309
  308   1HB   ARG  32          1HB       ARG  32  -3.111   6.010  -0.007
  309   2HB   ARG  32          2HB       ARG  32  -4.718   6.718   0.139
  310   1HG   ARG  32          1HG       ARG  32  -3.712   8.978  -0.300
  311   2HG   ARG  32          2HG       ARG  32  -2.173   8.174  -0.657
  312   1HD   ARG  32          1HD       ARG  32  -3.107   6.979  -2.510
  313   2HD   ARG  32          2HD       ARG  32  -4.764   7.396  -2.072
  314    HE   ARG  32           HE       ARG  32  -2.952   8.932  -3.670
  315   1HH1  ARG  32          1HH1      ARG  32  -5.688   9.213  -1.419
  316   2HH1  ARG  32          2HH1      ARG  32  -6.177  10.780  -2.010
  317   1HH2  ARG  32          1HH2      ARG  32  -3.554  11.060  -4.360
  318   2HH2  ARG  32          2HH2      ARG  32  -4.965  11.825  -3.677
  319    H    LYS  33           H        LYS  33  -1.430   5.770   1.308
  320    HA   LYS  33           HA       LYS  33   0.586   7.248   2.829
  321   1HB   LYS  33          1HB       LYS  33   0.459   4.829   3.117
  322   2HB   LYS  33          2HB       LYS  33   0.248   4.626   1.381
  323   1HG   LYS  33          1HG       LYS  33   2.296   3.833   1.539
  324   2HG   LYS  33          2HG       LYS  33   2.658   5.489   1.140
  325   1HD   LYS  33          1HD       LYS  33   2.765   4.186   3.907
  326   2HD   LYS  33          2HD       LYS  33   4.147   4.557   2.863
  327   1HE   LYS  33          1HE       LYS  33   3.594   6.976   3.006
  328   2HE   LYS  33          2HE       LYS  33   2.329   6.581   4.196
  329   1HZ   LYS  33          1HZ       LYS  33   5.195   5.961   4.484
  330   2HZ   LYS  33          2HZ       LYS  33   4.419   7.227   5.202
  331   3HZ   LYS  33          3HZ       LYS  33   4.019   5.678   5.600
  332    H    LYS  34           H        LYS  34   2.428   8.093   1.765
  333    HA   LYS  34           HA       LYS  34   2.120   8.857  -1.074
  334   1HB   LYS  34          1HB       LYS  34   2.805  10.476   0.726
  335   2HB   LYS  34          2HB       LYS  34   4.269   9.517   0.974
  336   1HG   LYS  34          1HG       LYS  34   4.583   9.918  -1.655
  337   2HG   LYS  34          2HG       LYS  34   3.483  11.270  -1.361
  338   1HD   LYS  34          1HD       LYS  34   6.162  10.706  -0.015
  339   2HD   LYS  34          2HD       LYS  34   5.838  11.964  -1.213
  340   1HE   LYS  34          1HE       LYS  34   4.336  13.126   0.366
  341   2HE   LYS  34          2HE       LYS  34   4.585  11.850   1.576
  342   1HZ   LYS  34          1HZ       LYS  34   6.686  13.593   0.523
  343   2HZ   LYS  34          2HZ       LYS  34   5.976  13.699   2.009
  344   3HZ   LYS  34          3HZ       LYS  34   6.888  12.382   1.624
  345    H    GLY  35           H        GLY  35   4.545   7.326   1.087
  346   1HA   GLY  35          1HA       GLY  35   6.201   6.329  -1.079
  347   2HA   GLY  35          2HA       GLY  35   6.398   6.169   0.682
  348    H    CYS  36           H        CYS  36   7.078   4.033   0.414
  349    HA   CYS  36           HA       CYS  36   5.727   1.958  -0.860
  350   1HB   CYS  36          1HB       CYS  36   8.098   1.996   0.271
  351   2HB   CYS  36          2HB       CYS  36   7.351   1.667   1.677
  352    H    TRP  37           H        TRP  37   3.758   0.878  -0.390
  353    HA   TRP  37           HA       TRP  37   2.250   1.518   1.927
  354   1HB   TRP  37          1HB       TRP  37   2.213  -0.316  -0.455
  355   2HB   TRP  37          2HB       TRP  37   1.256  -0.803   0.882
  356    HD1  TRP  37           HD1      TRP  37   0.395   2.362   1.388
  357    HE1  TRP  37           HE1      TRP  37  -1.321   3.488  -0.200
  358    HE3  TRP  37           HE3      TRP  37   0.669  -0.907  -2.505
  359    HZ2  TRP  37           HZ2      TRP  37  -2.388   3.014  -2.796
  360    HZ3  TRP  37           HZ3      TRP  37  -0.683  -0.543  -4.539
  361    HH2  TRP  37           HH2      TRP  37  -2.196   1.406  -4.720
  362    H    LYS  38           H        LYS  38   4.323  -1.214   1.055
  363    HA   LYS  38           HA       LYS  38   3.619  -2.759   3.368
  364   1HB   LYS  38          1HB       LYS  38   4.200  -3.846   1.380
  365   2HB   LYS  38          2HB       LYS  38   5.707  -3.009   1.190
  366   1HG   LYS  38          1HG       LYS  38   5.974  -5.350   1.900
  367   2HG   LYS  38          2HG       LYS  38   6.657  -4.267   3.118
  368   1HD   LYS  38          1HD       LYS  38   4.673  -4.534   4.535
  369   2HD   LYS  38          2HD       LYS  38   3.871  -5.519   3.300
  370   1HE   LYS  38          1HE       LYS  38   6.522  -6.255   4.631
  371   2HE   LYS  38          2HE       LYS  38   4.943  -6.790   5.226
  372   1HZ   LYS  38          1HZ       LYS  38   5.961  -7.367   2.538
  373   2HZ   LYS  38          2HZ       LYS  38   6.031  -8.400   3.806
  374   3HZ   LYS  38          3HZ       LYS  38   4.564  -7.930   3.209
  375    H    CYS  39           H        CYS  39   6.925  -1.733   2.532
  376    HA   CYS  39           HA       CYS  39   7.727  -1.866   5.287
  377   1HB   CYS  39          1HB       CYS  39   9.915  -1.093   4.732
  378   2HB   CYS  39          2HB       CYS  39   9.394  -2.165   3.455
  379    H    GLY  40           H        GLY  40   6.840   1.051   3.265
  380   1HA   GLY  40          1HA       GLY  40   5.428   2.649   4.542
  381   2HA   GLY  40          2HA       GLY  40   6.528   2.508   5.880
  382    H    LYS  41           H        LYS  41   8.838   2.473   3.769
  383    HA   LYS  41           HA       LYS  41   9.436   5.292   4.167
  384   1HB   LYS  41          1HB       LYS  41  10.911   2.946   2.965
  385   2HB   LYS  41          2HB       LYS  41  11.627   4.557   3.101
  386   1HG   LYS  41          1HG       LYS  41  11.931   4.415   5.353
  387   2HG   LYS  41          2HG       LYS  41  10.459   3.459   5.641
  388   1HD   LYS  41          1HD       LYS  41  11.511   1.493   4.654
  389   2HD   LYS  41          2HD       LYS  41  13.018   2.412   4.376
  390   1HE   LYS  41          1HE       LYS  41  13.238   2.674   6.850
  391   2HE   LYS  41          2HE       LYS  41  11.735   1.749   7.062
  392   1HZ   LYS  41          1HZ       LYS  41  12.833  -0.069   5.858
  393   2HZ   LYS  41          2HZ       LYS  41  14.235   0.782   5.867
  394   3HZ   LYS  41          3HZ       LYS  41  13.569   0.299   7.296
  395    H    GLU  42           H        GLU  42   9.891   6.793   2.579
  396    HA   GLU  42           HA       GLU  42   8.440   6.352   0.047
  397   1HB   GLU  42          1HB       GLU  42   9.130   9.109   0.417
  398   2HB   GLU  42          2HB       GLU  42   7.557   8.347   0.272
  399   1HG   GLU  42          1HG       GLU  42   7.695   7.885   2.784
  400   2HG   GLU  42          2HG       GLU  42   9.205   8.828   2.806
  401    H    GLY  43           H        GLY  43   9.206   8.017  -1.652
  402   1HA   GLY  43          1HA       GLY  43  10.920   8.598  -3.160
  403   2HA   GLY  43          2HA       GLY  43  12.100   7.639  -2.248
  404    H    HIS  44           H        HIS  44  10.495   5.307  -1.940
  405    HA   HIS  44           HA       HIS  44  10.136   4.232  -4.697
  406   1HB   HIS  44          1HB       HIS  44  10.927   2.105  -3.832
  407   2HB   HIS  44          2HB       HIS  44  12.143   3.344  -3.544
  408    HD1  HIS  44           HD1      HIS  44  12.875   3.707  -1.102
  409    HD2  HIS  44           HD2      HIS  44   9.464   1.291  -1.442
  410    HE1  HIS  44           HE1      HIS  44  12.452   2.650   1.184
  411    H    GLN  45           H        GLN  45   8.378   2.873  -4.998
  412    HA   GLN  45           HA       GLN  45   6.182   2.920  -2.989
  413   1HB   GLN  45          1HB       GLN  45   6.298   2.045  -5.909
  414   2HB   GLN  45          2HB       GLN  45   4.842   2.062  -4.922
  415   1HG   GLN  45          1HG       GLN  45   6.443   4.581  -5.551
  416   2HG   GLN  45          2HG       GLN  45   5.113   3.974  -6.535
  417   1HE2  GLN  45          1HE2      GLN  45   3.346   5.246  -6.207
  418   2HE2  GLN  45          2HE2      GLN  45   2.745   5.734  -4.635
  419    H    MET  46           H        MET  46   4.903   0.734  -3.072
  420    HA   MET  46           HA       MET  46   6.601  -1.293  -1.951
  421   1HB   MET  46          1HB       MET  46   4.439  -0.948  -1.138
  422   2HB   MET  46          2HB       MET  46   3.671  -1.185  -2.690
  423   1HG   MET  46          1HG       MET  46   5.343  -3.317  -1.292
  424   2HG   MET  46          2HG       MET  46   3.635  -3.080  -0.921
  425   1HE   MET  46          1HE       MET  46   1.673  -3.437  -2.487
  426   2HE   MET  46          2HE       MET  46   2.285  -2.561  -3.912
  427   3HE   MET  46          3HE       MET  46   1.747  -4.243  -4.069
  428    H    LYS  47           H        LYS  47   5.204  -1.001  -5.100
  429    HA   LYS  47           HA       LYS  47   6.138  -3.466  -6.184
  430   1HB   LYS  47          1HB       LYS  47   5.852  -0.789  -7.575
  431   2HB   LYS  47          2HB       LYS  47   5.833  -2.373  -8.357
  432   1HG   LYS  47          1HG       LYS  47   3.737  -1.228  -6.445
  433   2HG   LYS  47          2HG       LYS  47   3.565  -1.461  -8.167
  434   1HD   LYS  47          1HD       LYS  47   3.932  -3.700  -6.103
  435   2HD   LYS  47          2HD       LYS  47   2.401  -3.187  -6.776
  436   1HE   LYS  47          1HE       LYS  47   4.698  -4.446  -8.345
  437   2HE   LYS  47          2HE       LYS  47   3.167  -5.204  -7.886
  438   1HZ   LYS  47          1HZ       LYS  47   2.056  -3.473  -9.185
  439   2HZ   LYS  47          2HZ       LYS  47   3.512  -2.966  -9.745
  440   3HZ   LYS  47          3HZ       LYS  47   2.991  -4.490 -10.099
  441    H    ASP  48           H        ASP  48   7.709  -0.266  -5.912
  442    HA   ASP  48           HA       ASP  48  10.056  -0.878  -7.436
  443   1HB   ASP  48          1HB       ASP  48   9.485   1.184  -5.288
  444   2HB   ASP  48          2HB       ASP  48  10.877   1.236  -6.337
  445    H    CYS  49           H        CYS  49   9.330  -0.709  -3.997
  446    HA   CYS  49           HA       CYS  49  11.544  -0.652  -2.643
  447   1HB   CYS  49          1HB       CYS  49   9.177  -0.904  -1.838
  448   2HB   CYS  49          2HB       CYS  49   9.403  -2.646  -1.943
  449    H    THR  50           H        THR  50  13.223  -1.856  -1.947
  450    HA   THR  50           HA       THR  50  13.419  -4.747  -2.534
  451    HB   THR  50           HB       THR  50  14.385  -3.619  -4.469
  452    HG1  THR  50           HG1      THR  50  15.307  -5.545  -3.689
  453   1HG2  THR  50          1HG2      THR  50  16.423  -2.281  -4.323
  454   2HG2  THR  50          2HG2      THR  50  15.095  -1.474  -3.477
  455   3HG2  THR  50          3HG2      THR  50  16.365  -2.307  -2.554
  456    H    GLU  51           H        GLU  51  12.765  -3.531  -0.123
  457    HA   GLU  51           HA       GLU  51  15.129  -3.507   1.605
  458   1HB   GLU  51          1HB       GLU  51  12.136  -3.278   2.071
  459   2HB   GLU  51          2HB       GLU  51  13.313  -3.315   3.384
  460   1HG   GLU  51          1HG       GLU  51  14.500  -1.350   2.310
  461   2HG   GLU  51          2HG       GLU  51  13.228  -1.280   1.102
  462    H    ARG  52           H        ARG  52  12.412  -5.300   2.813
  463    HA   ARG  52           HA       ARG  52  13.256  -7.893   1.854
  464   1HB   ARG  52          1HB       ARG  52  13.745  -8.873   4.040
  465   2HB   ARG  52          2HB       ARG  52  14.958  -7.714   3.501
  466   1HG   ARG  52          1HG       ARG  52  14.134  -6.018   5.066
  467   2HG   ARG  52          2HG       ARG  52  12.794  -7.070   5.557
  468   1HD   ARG  52          1HD       ARG  52  14.484  -8.798   6.260
  469   2HD   ARG  52          2HD       ARG  52  15.760  -7.599   5.966
  470    HE   ARG  52           HE       ARG  52  13.967  -6.303   7.622
  471   1HH1  ARG  52          1HH1      ARG  52  15.837  -9.315   7.860
  472   2HH1  ARG  52          2HH1      ARG  52  15.898  -9.285   9.603
  473   1HH2  ARG  52          1HH2      ARG  52  14.061  -6.275   9.906
  474   2HH2  ARG  52          2HH2      ARG  52  14.890  -7.543  10.771
  475    H    GLN  53           H        GLN  53  11.108  -6.887   1.207
  476    HA   GLN  53           HA       GLN  53   8.926  -6.784   2.996
  477   1HB   GLN  53          1HB       GLN  53   8.968  -7.161  -0.019
  478   2HB   GLN  53          2HB       GLN  53   7.530  -6.772   0.950
  479   1HG   GLN  53          1HG       GLN  53   8.837  -4.792   1.906
  480   2HG   GLN  53          2HG       GLN  53  10.082  -5.112   0.703
  481   1HE2  GLN  53          1HE2      GLN  53   8.203  -5.785  -1.502
  482   2HE2  GLN  53          2HE2      GLN  53   7.483  -4.262  -1.967
  483    H    ALA  54           H        ALA  54  10.103  -9.437   0.899
  484    HA   ALA  54           HA       ALA  54   8.122 -11.351   1.951
  485   1HB   ALA  54          1HB       ALA  54  10.523 -11.682   0.101
  486   2HB   ALA  54          2HB       ALA  54   9.331 -12.940   0.501
  487   3HB   ALA  54          3HB       ALA  54   8.828 -11.493  -0.395
  488    H    ASN  55           H        ASN  55   8.923 -10.581   4.163
  489    HA   ASN  55           HA       ASN  55  11.548 -11.210   5.068
  490   1HB   ASN  55          1HB       ASN  55   9.987  -9.481   6.036
  491   2HB   ASN  55          2HB       ASN  55   9.011 -10.794   6.702
  492   1HD2  ASN  55          1HD2      ASN  55  12.378  -9.509   6.624
  493   2HD2  ASN  55          2HD2      ASN  55  12.776  -9.970   8.271
  Start of MODEL    3
    1   1H5*    G 101          1H5*        G 101 -22.771   3.337  -8.183
    2   2H5*    G 101          2H5*        G 101 -21.950   2.708  -6.745
    3    H4*    G 101           H4*        G 101 -23.292   1.249  -8.874
    4    H3*    G 101           H3*        G 101 -22.462   0.773  -6.090
    5    H1*    G 101           H1*        G 101 -20.251  -1.136  -8.723
    6    H8     G 101           H8         G 101 -20.104   0.304  -5.336
    7    H1     G 101           H1         G 101 -15.434   2.714  -9.034
    8   1H2     G 101          1H2         G 101 -15.865   2.289 -11.187
    9   2H2     G 101          2H2         G 101 -17.272   1.385 -11.692
   10    H5T    G 101           H5T        G 101 -20.754   2.862  -9.290
   11   1H2*    G 101          1H2*        G 101 -21.398  -1.289  -6.341
   12   2H2*    G 101          2H2*        G 101 -22.302  -1.626  -7.849
   13   1H5*    T 102          1H5*        T 102 -25.346  -3.452  -7.458
   14   2H5*    T 102          2H5*        T 102 -25.554  -3.805  -5.727
   15    H4*    T 102           H4*        T 102 -24.642  -5.784  -6.393
   16    H3*    T 102           H3*        T 102 -22.689  -4.216  -5.046
   17   1H2*    T 102          1H2*        T 102 -21.745  -3.660  -7.156
   18   2H2*    T 102          2H2*        T 102 -20.653  -4.953  -6.743
   19    H1*    T 102           H1*        T 102 -22.255  -6.601  -7.720
   20    H3     T 102           H3         T 102 -20.303  -7.072 -11.833
   21   1H5M    T 102          1H5M        T 102 -20.665  -1.767 -10.847
   22   2H5M    T 102          2H5M        T 102 -19.975  -2.410 -12.345
   23   3H5M    T 102          3H5M        T 102 -21.734  -2.286 -12.163
   24    H6     T 102           H6         T 102 -21.726  -3.307  -9.227
   25   1H5*    C 103          1H5*        C 103 -20.961  -8.196  -6.580
   26   2H5*    C 103          2H5*        C 103 -19.854  -8.914  -5.395
   27    H4*    C 103           H4*        C 103 -18.854  -8.820  -7.650
   28    H3*    C 103           H3*        C 103 -17.612  -7.572  -5.290
   29    H1*    C 103           H1*        C 103 -17.421  -7.185  -8.977
   30   1H4     C 103          1H4         C 103 -17.479  -1.445 -11.909
   31   2H4     C 103          2H4         C 103 -17.992  -0.628 -10.442
   32    H5     C 103           H5         C 103 -18.294  -1.835  -8.287
   33    H6     C 103           H6         C 103 -18.541  -3.952  -7.302
   34   1H2*    C 103          1H2*        C 103 -17.247  -5.585  -6.389
   35   2H2*    C 103          2H2*        C 103 -15.943  -6.457  -7.216
   36   1H5*    C 104          1H5*        C 104 -14.844  -9.714  -8.794
   37   2H5*    C 104          2H5*        C 104 -13.503 -10.412  -7.861
   38    H4*    C 104           H4*        C 104 -12.711  -9.597 -10.031
   39    H3*    C 104           H3*        C 104 -11.577  -8.819  -7.510
   40    H1*    C 104           H1*        C 104 -11.854  -6.903 -10.754
   41   1H4     C 104          1H4         C 104 -14.681  -1.065 -10.635
   42   2H4     C 104          2H4         C 104 -15.514  -1.467  -9.152
   43    H5     C 104           H5         C 104 -15.309  -3.639  -8.036
   44    H6     C 104           H6         C 104 -14.170  -5.759  -8.084
   45   1H2*    C 104          1H2*        C 104 -12.066  -6.568  -7.745
   46   2H2*    C 104          2H2*        C 104 -10.614  -6.534  -8.765
   47   1H5*    C 105          1H5*        C 105  -8.782  -7.493 -11.038
   48   2H5*    C 105          2H5*        C 105  -7.093  -7.767 -10.560
   49    H4*    C 105           H4*        C 105  -7.347  -5.496 -11.393
   50    H3*    C 105           H3*        C 105  -6.295  -6.034  -8.762
   51    H1*    C 105           H1*        C 105  -8.120  -3.180 -10.035
   52   1H4     C 105          1H4         C 105 -13.448  -0.406  -7.875
   53   2H4     C 105          2H4         C 105 -13.687  -1.647  -6.648
   54    H5     C 105           H5         C 105 -12.273  -3.652  -6.532
   55    H6     C 105           H6         C 105 -10.352  -4.755  -7.448
   56   1H2*    C 105          1H2*        C 105  -8.201  -5.132  -7.705
   57   2H2*    C 105          2H2*        C 105  -7.194  -3.650  -7.863
   58   1H5*    T 106          1H5*        T 106  -5.033  -2.164 -11.278
   59   2H5*    T 106          2H5*        T 106  -3.375  -1.925 -11.854
   60    H4*    T 106           H4*        T 106  -4.145  -0.155 -10.271
   61    H3*    T 106           H3*        T 106  -1.747  -1.829  -9.761
   62   1H2*    T 106          1H2*        T 106  -1.572  -1.254  -7.398
   63   2H2*    T 106          2H2*        T 106  -2.518   0.203  -7.656
   64    H1*    T 106           H1*        T 106  -4.240  -0.912  -6.829
   65    H3     T 106           H3         T 106  -2.269  -5.841  -7.354
   66   1H5M    T 106          1H5M        T 106  -6.962  -4.984  -5.506
   67   2H5M    T 106          2H5M        T 106  -6.163  -4.189  -4.124
   68   3H5M    T 106          3H5M        T 106  -5.902  -5.915  -4.427
   69    H6     T 106           H6         T 106  -5.506  -2.587  -5.955
   70   1H5*    G 107          1H5*        G 107  -2.009   2.799  -9.392
   71   2H5*    G 107          2H5*        G 107  -0.704   3.334 -10.470
   72    H4*    G 107           H4*        G 107  -1.359   5.021  -8.768
   73    H3*    G 107           H3*        G 107   1.500   4.011  -8.681
   74    H1*    G 107           H1*        G 107  -0.386   5.187  -5.575
   75    H8     G 107           H8         G 107   0.630   1.902  -6.778
   76    H1     G 107           H1         G 107   4.473   3.950  -2.088
   77   1H2     G 107          1H2         G 107   4.658   6.182  -2.219
   78   2H2     G 107          2H2         G 107   3.769   7.116  -3.390
   79   1H2*    G 107          1H2*        G 107   1.814   5.786  -7.005
   80   2H2*    G 107          2H2*        G 107   0.222   6.454  -7.404
   81   1H5*    T 108          1H5*        T 108   0.931   8.823 -11.463
   82   2H5*    T 108          2H5*        T 108   1.930   9.825 -10.398
   83    H4*    T 108           H4*        T 108  -0.261  10.794 -10.732
   84    H3*    T 108           H3*        T 108   0.663  10.353  -8.077
   85   1H2*    T 108          1H2*        T 108  -0.781   8.500  -7.799
   86   2H2*    T 108          2H2*        T 108  -1.842   9.795  -7.168
   87    H1*    T 108           H1*        T 108  -2.764  10.196  -9.298
   88    H3     T 108           H3         T 108  -5.908   7.253 -10.883
   89   1H5M    T 108          1H5M        T 108  -3.134   5.066  -6.738
   90   2H5M    T 108          2H5M        T 108  -4.848   4.725  -6.964
   91   3H5M    T 108          3H5M        T 108  -3.660   3.976  -8.043
   92    H6     T 108           H6         T 108  -2.344   7.010  -7.672
   93   1H5*    T 109          1H5*        T 109  -2.974  12.714  -9.728
   94   2H5*    T 109          2H5*        T 109  -3.464  14.129  -8.784
   95    H4*    T 109           H4*        T 109  -5.280  12.938 -10.052
   96    H3*    T 109           H3*        T 109  -5.595  14.159  -7.573
   97   1H2*    T 109          1H2*        T 109  -5.144  12.179  -6.444
   98   2H2*    T 109          2H2*        T 109  -6.868  12.055  -6.338
   99    H1*    T 109           H1*        T 109  -7.064  10.881  -8.471
  100    H3     T 109           H3         T 109  -7.044   6.665  -6.682
  101   1H5M    T 109          1H5M        T 109  -2.332   8.329  -5.676
  102   2H5M    T 109          2H5M        T 109  -3.092   7.523  -4.293
  103   3H5M    T 109          3H5M        T 109  -3.003   9.297  -4.337
  104    H6     T 109           H6         T 109  -4.108  10.433  -6.355
  105   1H5*    C 110          1H5*        C 110  -8.666  11.993 -10.116
  106   2H5*    C 110          2H5*        C 110 -10.241  12.789 -10.211
  107    H4*    C 110           H4*        C 110  -9.858  10.130 -10.472
  108    H3*    C 110           H3*        C 110 -12.237  11.449  -9.133
  109    H1*    C 110           H1*        C 110 -10.410   8.078  -9.035
  110   1H4     C 110          1H4         C 110 -11.821   7.503  -2.568
  111   2H4     C 110          2H4         C 110 -13.171   6.602  -3.221
  112    H5     C 110           H5         C 110 -13.661   6.526  -5.655
  113    H6     C 110           H6         C 110 -12.872   7.234  -7.833
  114   1H2*    C 110          1H2*        C 110 -13.037   9.392  -8.608
  115   2H2*    C 110          2H2*        C 110 -12.331   8.535  -9.976
  116   1H5*    G 111          1H5*        G 111 -10.929   8.906 -12.191
  117   2H5*    G 111          2H5*        G 111 -11.550   9.523 -13.726
  118    H4*    G 111           H4*        G 111 -10.544   7.327 -14.001
  119    H3*    G 111           H3*        G 111 -13.149   7.962 -14.939
  120    H1*    G 111           H1*        G 111 -11.829   4.757 -13.734
  121    H8     G 111           H8         G 111 -14.429   5.759 -10.964
  122    H1     G 111           H1         G 111 -11.682  -0.005 -10.228
  123   1H2     G 111          1H2         G 111  -9.924  -0.156 -11.704
  124   2H2     G 111          2H2         G 111  -9.606   1.098 -12.892
  125   1H2*    G 111          1H2*        G 111 -14.182   6.602 -13.238
  126   2H2*    G 111          2H2*        G 111 -14.029   5.389 -14.543
  127   1H5*    G 112          1H5*        G 112 -10.019   5.282 -17.202
  128   2H5*    G 112          2H5*        G 112 -10.424   5.190 -18.927
  129    H4*    G 112           H4*        G 112  -9.109   3.248 -18.110
  130    H3*    G 112           H3*        G 112 -11.297   3.021 -19.800
  131    H1*    G 112           H1*        G 112 -10.734   0.722 -16.862
  132    H8     G 112           H8         G 112 -13.449   3.374 -15.859
  133    H1     G 112           H1         G 112 -13.245  -1.887 -12.171
  134   1H2     G 112          1H2         G 112 -11.526  -3.202 -12.820
  135   2H2     G 112          2H2         G 112 -10.471  -2.736 -14.137
  136   1H2*    G 112          1H2*        G 112 -12.850   2.520 -18.062
  137   2H2*    G 112          2H2*        G 112 -12.415   0.870 -18.544
  138   1H5*    G 113          1H5*        G 113  -9.276  -1.019 -18.220
  139   2H5*    G 113          2H5*        G 113  -9.079  -2.086 -19.624
  140    H4*    G 113           H4*        G 113  -9.604  -3.392 -17.645
  141    H3*    G 113           H3*        G 113 -11.120  -3.567 -20.073
  142    H1*    G 113           H1*        G 113 -12.176  -4.108 -16.551
  143    H8     G 113           H8         G 113 -13.798  -0.762 -17.726
  144    H1     G 113           H1         G 113 -16.614  -3.497 -12.639
  145   1H2     G 113          1H2         G 113 -15.683  -5.493 -12.232
  146   2H2     G 113          2H2         G 113 -14.272  -6.037 -13.119
  147   1H2*    G 113          1H2*        G 113 -13.026  -2.640 -19.069
  148   2H2*    G 113          2H2*        G 113 -13.339  -4.349 -18.695
  149   1H5*    C 114          1H5*        C 114 -11.508  -6.782 -16.560
  150   2H5*    C 114          2H5*        C 114 -11.500  -8.392 -17.308
  151    H4*    C 114           H4*        C 114 -12.931  -8.320 -15.301
  152    H3*    C 114           H3*        C 114 -13.795  -9.315 -17.869
  153    H1*    C 114           H1*        C 114 -15.749  -7.600 -15.120
  154   1H4     C 114          1H4         C 114 -18.925  -2.144 -16.444
  155   2H4     C 114          2H4         C 114 -17.932  -1.832 -17.852
  156    H5     C 114           H5         C 114 -16.209  -3.436 -18.646
  157    H6     C 114           H6         C 114 -15.110  -5.524 -18.138
  158    H3T    C 114           H3T        C 114 -13.611 -10.507 -15.911
  159   1H2*    C 114          1H2*        C 114 -15.481  -7.765 -18.156
  160   2H2*    C 114          2H2*        C 114 -16.389  -8.849 -17.068
  161   1H    ASN  12          1H        ASN  12 -15.048 -10.581  -2.383
  162   2H    ASN  12          2H        ASN  12 -15.485  -9.016  -2.815
  163   3H    ASN  12          3H        ASN  12 -14.263  -9.808  -3.654
  164    HA   ASN  12           HA       ASN  12 -14.114  -8.203  -1.409
  165   1HB   ASN  12          1HB       ASN  12 -12.858  -9.587   0.137
  166   2HB   ASN  12          2HB       ASN  12 -14.461 -10.284  -0.124
  167   1HD2  ASN  12          1HD2      ASN  12 -11.243 -11.095   0.193
  168   2HD2  ASN  12          2HD2      ASN  12 -11.232 -12.587  -0.723
  169    H    VAL  13           H        VAL  13 -12.088  -7.210  -1.326
  170    HA   VAL  13           HA       VAL  13  -9.748  -8.247  -2.583
  171    HB   VAL  13           HB       VAL  13 -10.930  -7.599  -4.629
  172   1HG1  VAL  13          1HG1      VAL  13 -12.322  -5.705  -3.640
  173   2HG1  VAL  13          2HG1      VAL  13 -10.874  -4.685  -3.756
  174   3HG1  VAL  13          3HG1      VAL  13 -11.560  -5.401  -5.209
  175   1HG2  VAL  13          1HG2      VAL  13  -8.492  -7.445  -4.530
  176   2HG2  VAL  13          2HG2      VAL  13  -9.177  -6.206  -5.597
  177   3HG2  VAL  13          3HG2      VAL  13  -8.610  -5.763  -3.970
  178    H    LYS  14           H        LYS  14  -8.544  -7.761  -0.810
  179    HA   LYS  14           HA       LYS  14  -9.126  -5.685   0.983
  180   1HB   LYS  14          1HB       LYS  14  -6.836  -6.107   1.907
  181   2HB   LYS  14          2HB       LYS  14  -7.959  -7.465   1.841
  182   1HG   LYS  14          1HG       LYS  14  -6.808  -8.507   0.042
  183   2HG   LYS  14          2HG       LYS  14  -5.874  -7.049  -0.327
  184   1HD   LYS  14          1HD       LYS  14  -4.512  -8.736   0.822
  185   2HD   LYS  14          2HD       LYS  14  -4.629  -7.234   1.754
  186   1HE   LYS  14          1HE       LYS  14  -6.295  -8.231   3.253
  187   2HE   LYS  14          2HE       LYS  14  -6.356  -9.700   2.257
  188   1HZ   LYS  14          1HZ       LYS  14  -4.023  -8.717   3.748
  189   2HZ   LYS  14          2HZ       LYS  14  -4.999  -9.967   4.191
  190   3HZ   LYS  14          3HZ       LYS  14  -4.070 -10.091   2.836
  191    H    CYS  15           H        CYS  15  -8.951  -3.606   0.886
  192    HA   CYS  15           HA       CYS  15  -7.570  -2.146  -1.170
  193   1HB   CYS  15          1HB       CYS  15  -9.662  -1.419  -0.157
  194   2HB   CYS  15          2HB       CYS  15  -8.925  -1.409   1.442
  195    H    PHE  16           H        PHE  16  -5.368  -1.554  -1.141
  196    HA   PHE  16           HA       PHE  16  -3.599  -2.213   0.925
  197   1HB   PHE  16          1HB       PHE  16  -3.330   0.085  -1.033
  198   2HB   PHE  16          2HB       PHE  16  -2.041  -0.703  -0.168
  199    HD1  PHE  16           HD1      PHE  16  -3.352  -0.364  -3.303
  200    HD2  PHE  16           HD2      PHE  16  -2.199  -3.520  -0.602
  201    HE1  PHE  16           HE1      PHE  16  -2.453  -1.642  -5.187
  202    HE2  PHE  16           HE2      PHE  16  -1.515  -4.907  -2.546
  203    HZ   PHE  16           HZ       PHE  16  -1.551  -3.917  -4.848
  204    H    ASN  17           H        ASN  17  -5.234   0.872   0.220
  205    HA   ASN  17           HA       ASN  17  -3.879   2.480   2.047
  206   1HB   ASN  17          1HB       ASN  17  -5.197   3.220   0.089
  207   2HB   ASN  17          2HB       ASN  17  -6.692   2.810   0.934
  208   1HD2  ASN  17          1HD2      ASN  17  -7.075   5.182   0.362
  209   2HD2  ASN  17          2HD2      ASN  17  -6.478   6.383   1.486
  210    H    CYS  18           H        CYS  18  -7.200   1.126   2.474
  211    HA   CYS  18           HA       CYS  18  -7.087   1.868   5.352
  212   1HB   CYS  18          1HB       CYS  18  -9.398   1.886   5.379
  213   2HB   CYS  18          2HB       CYS  18  -8.908   2.796   3.956
  214    H    GLY  19           H        GLY  19  -7.292  -0.977   3.239
  215   1HA   GLY  19          1HA       GLY  19  -6.708  -3.146   4.079
  216   2HA   GLY  19          2HA       GLY  19  -7.471  -2.767   5.619
  217    H    LYS  20           H        LYS  20  -9.847  -1.641   4.797
  218    HA   LYS  20           HA       LYS  20 -11.499  -3.860   4.682
  219   1HB   LYS  20          1HB       LYS  20 -12.123  -0.966   4.120
  220   2HB   LYS  20          2HB       LYS  20 -13.329  -2.246   4.094
  221   1HG   LYS  20          1HG       LYS  20 -13.367  -1.228   6.232
  222   2HG   LYS  20          2HG       LYS  20 -12.818  -2.891   6.396
  223   1HD   LYS  20          1HD       LYS  20 -10.526  -2.173   6.774
  224   2HD   LYS  20          2HD       LYS  20 -10.932  -0.489   6.345
  225   1HE   LYS  20          1HE       LYS  20 -12.389  -0.347   8.333
  226   2HE   LYS  20          2HE       LYS  20 -12.049  -2.046   8.719
  227   1HZ   LYS  20          1HZ       LYS  20 -10.058   0.113   8.628
  228   2HZ   LYS  20          2HZ       LYS  20 -10.697  -0.558   9.991
  229   3HZ   LYS  20          3HZ       LYS  20  -9.752  -1.465   8.991
  230    H    GLU  21           H        GLU  21 -12.399  -5.096   3.213
  231    HA   GLU  21           HA       GLU  21 -11.459  -5.180   0.573
  232   1HB   GLU  21          1HB       GLU  21 -13.580  -6.709   2.135
  233   2HB   GLU  21          2HB       GLU  21 -13.029  -7.178   0.533
  234   1HG   GLU  21          1HG       GLU  21 -11.878  -8.498   2.137
  235   2HG   GLU  21          2HG       GLU  21 -10.719  -7.444   1.332
  236    H    GLY  22           H        GLY  22 -13.263  -5.946  -1.130
  237   1HA   GLY  22          1HA       GLY  22 -15.212  -5.579  -2.305
  238   2HA   GLY  22          2HA       GLY  22 -15.673  -4.269  -1.210
  239    H    HIS  23           H        HIS  23 -13.636  -2.550  -1.250
  240    HA   HIS  23           HA       HIS  23 -13.402  -1.600  -4.076
  241   1HB   HIS  23          1HB       HIS  23 -13.247   0.620  -3.097
  242   2HB   HIS  23          2HB       HIS  23 -14.728  -0.162  -2.544
  243    HD1  HIS  23           HD1      HIS  23 -14.791  -0.937   0.012
  244    HD2  HIS  23           HD2      HIS  23 -11.335   1.148  -1.109
  245    HE1  HIS  23           HE1      HIS  23 -13.547  -0.331   2.144
  246    H    THR  24           H        THR  24 -11.340  -0.418  -4.486
  247    HA   THR  24           HA       THR  24  -9.039  -1.626  -3.019
  248    HB   THR  24           HB       THR  24  -7.806  -1.088  -5.202
  249    HG1  THR  24           HG1      THR  24  -9.318   0.258  -6.154
  250   1HG2  THR  24          1HG2      THR  24  -8.588  -3.141  -6.210
  251   2HG2  THR  24          2HG2      THR  24  -8.461  -3.332  -4.457
  252   3HG2  THR  24          3HG2      THR  24 -10.054  -3.119  -5.207
  253    H    ALA  25           H        ALA  25  -7.019  -0.202  -3.405
  254    HA   ALA  25           HA       ALA  25  -7.041   2.041  -1.808
  255   1HB   ALA  25          1HB       ALA  25  -5.181   1.294  -4.093
  256   2HB   ALA  25          2HB       ALA  25  -4.851   2.514  -2.841
  257   3HB   ALA  25          3HB       ALA  25  -5.066   0.809  -2.385
  258    H    ARG  26           H        ARG  26  -7.067   2.043  -5.411
  259    HA   ARG  26           HA       ARG  26  -7.098   4.831  -5.701
  260   1HB   ARG  26          1HB       ARG  26  -7.890   4.434  -7.952
  261   2HB   ARG  26          2HB       ARG  26  -6.513   3.407  -7.550
  262   1HG   ARG  26          1HG       ARG  26  -7.667   1.461  -7.656
  263   2HG   ARG  26          2HG       ARG  26  -9.179   2.154  -7.104
  264   1HD   ARG  26          1HD       ARG  26  -8.043   2.727  -9.867
  265   2HD   ARG  26          2HD       ARG  26  -9.183   1.432  -9.498
  266    HE   ARG  26           HE       ARG  26 -10.867   2.958  -8.878
  267   1HH1  ARG  26          1HH1      ARG  26  -8.092   4.716 -10.307
  268   2HH1  ARG  26          2HH1      ARG  26  -9.040   6.157 -10.554
  269   1HH2  ARG  26          1HH2      ARG  26 -11.970   4.855  -9.074
  270   2HH2  ARG  26          2HH2      ARG  26 -11.256   6.240  -9.874
  271    H    ASN  27           H        ASN  27  -9.751   2.639  -5.037
  272    HA   ASN  27           HA       ASN  27 -11.805   4.718  -5.484
  273   1HB   ASN  27          1HB       ASN  27 -12.000   1.794  -4.747
  274   2HB   ASN  27          2HB       ASN  27 -13.365   2.851  -5.147
  275   1HD2  ASN  27          1HD2      ASN  27 -11.323   0.543  -6.455
  276   2HD2  ASN  27          2HD2      ASN  27 -11.475   0.969  -8.137
  277    H    CYS  28           H        CYS  28  -9.761   3.897  -2.964
  278    HA   CYS  28           HA       CYS  28 -11.542   3.598  -0.789
  279   1HB   CYS  28          1HB       CYS  28  -9.074   3.032  -0.911
  280   2HB   CYS  28          2HB       CYS  28  -8.748   4.751  -0.669
  281    H    ARG  29           H        ARG  29 -12.890   5.058   0.088
  282    HA   ARG  29           HA       ARG  29 -12.585   7.935  -0.382
  283   1HB   ARG  29          1HB       ARG  29 -14.756   6.697  -0.477
  284   2HB   ARG  29          2HB       ARG  29 -14.658   6.446   1.272
  285   1HG   ARG  29          1HG       ARG  29 -14.594   8.937   1.589
  286   2HG   ARG  29          2HG       ARG  29 -14.689   9.155  -0.164
  287   1HD   ARG  29          1HD       ARG  29 -16.779   7.756   1.559
  288   2HD   ARG  29          2HD       ARG  29 -16.872   9.438   0.998
  289    HE   ARG  29           HE       ARG  29 -16.473   7.851  -1.284
  290   1HH1  ARG  29          1HH1      ARG  29 -18.971   8.305   1.195
  291   2HH1  ARG  29          2HH1      ARG  29 -20.283   7.845   0.140
  292   1HH2  ARG  29          1HH2      ARG  29 -18.200   7.243  -2.659
  293   2HH2  ARG  29          2HH2      ARG  29 -19.840   7.239  -2.064
  294    H    ALA  30           H        ALA  30 -10.365   7.580   0.684
  295    HA   ALA  30           HA       ALA  30 -10.447   8.829   3.262
  296   1HB   ALA  30          1HB       ALA  30 -10.605   6.448   3.987
  297   2HB   ALA  30          2HB       ALA  30  -9.126   6.088   3.061
  298   3HB   ALA  30          3HB       ALA  30  -9.062   7.171   4.458
  299    HA   PRO  31           HA       PRO  31  -6.686  10.496   1.548
  300   1HB   PRO  31          1HB       PRO  31  -5.363  10.057   4.225
  301   2HB   PRO  31          2HB       PRO  31  -5.436  11.551   3.249
  302   1HG   PRO  31          1HG       PRO  31  -7.028  11.267   5.428
  303   2HG   PRO  31          2HG       PRO  31  -7.713  11.935   3.914
  304   1HD   PRO  31          1HD       PRO  31  -7.875   9.073   4.911
  305   2HD   PRO  31          2HD       PRO  31  -9.186  10.116   4.332
  306    H    ARG  32           H        ARG  32  -4.841   9.664   0.488
  307    HA   ARG  32           HA       ARG  32  -4.196   6.818   0.921
  308   1HB   ARG  32          1HB       ARG  32  -3.798   8.833  -1.301
  309   2HB   ARG  32          2HB       ARG  32  -2.770   7.408  -1.216
  310   1HG   ARG  32          1HG       ARG  32  -4.429   6.701  -2.602
  311   2HG   ARG  32          2HG       ARG  32  -4.815   5.963  -1.056
  312   1HD   ARG  32          1HD       ARG  32  -6.829   6.686  -2.010
  313   2HD   ARG  32          2HD       ARG  32  -6.509   7.835  -0.706
  314    HE   ARG  32           HE       ARG  32  -5.392   9.117  -2.821
  315   1HH1  ARG  32          1HH1      ARG  32  -8.606   7.613  -2.415
  316   2HH1  ARG  32          2HH1      ARG  32  -9.319   8.516  -3.724
  317   1HH2  ARG  32          1HH2      ARG  32  -6.409  10.396  -4.437
  318   2HH2  ARG  32          2HH2      ARG  32  -8.080  10.102  -4.855
  319    H    LYS  33           H        LYS  33  -1.726   6.455   0.269
  320    HA   LYS  33           HA       LYS  33  -0.294   7.334   2.624
  321   1HB   LYS  33          1HB       LYS  33   1.207   5.504   1.966
  322   2HB   LYS  33          2HB       LYS  33  -0.491   4.995   1.945
  323   1HG   LYS  33          1HG       LYS  33   0.868   4.066   0.219
  324   2HG   LYS  33          2HG       LYS  33  -0.642   4.836  -0.334
  325   1HD   LYS  33          1HD       LYS  33   1.944   6.308  -0.619
  326   2HD   LYS  33          2HD       LYS  33   1.659   4.850  -1.569
  327   1HE   LYS  33          1HE       LYS  33  -0.288   5.621  -2.618
  328   2HE   LYS  33          2HE       LYS  33  -0.484   6.974  -1.503
  329   1HZ   LYS  33          1HZ       LYS  33   1.520   7.935  -2.428
  330   2HZ   LYS  33          2HZ       LYS  33   1.592   6.713  -3.545
  331   3HZ   LYS  33          3HZ       LYS  33   0.324   7.764  -3.550
  332    H    LYS  34           H        LYS  34   2.178   7.512   2.298
  333    HA   LYS  34           HA       LYS  34   2.755   9.696   0.342
  334   1HB   LYS  34          1HB       LYS  34   4.098   8.916   2.960
  335   2HB   LYS  34          2HB       LYS  34   4.678  10.151   1.828
  336   1HG   LYS  34          1HG       LYS  34   2.560  11.410   2.119
  337   2HG   LYS  34          2HG       LYS  34   2.007  10.197   3.297
  338   1HD   LYS  34          1HD       LYS  34   3.994  10.667   4.711
  339   2HD   LYS  34          2HD       LYS  34   4.552  11.871   3.533
  340   1HE   LYS  34          1HE       LYS  34   2.484  13.200   3.912
  341   2HE   LYS  34          2HE       LYS  34   1.936  12.003   5.104
  342   1HZ   LYS  34          1HZ       LYS  34   4.381  13.619   5.299
  343   2HZ   LYS  34          2HZ       LYS  34   2.985  13.873   6.138
  344   3HZ   LYS  34          3HZ       LYS  34   3.873  12.510   6.406
  345    H    GLY  35           H        GLY  35   4.640   7.123   1.998
  346   1HA   GLY  35          1HA       GLY  35   6.349   6.801  -0.395
  347   2HA   GLY  35          2HA       GLY  35   6.651   6.277   1.274
  348    H    CYS  36           H        CYS  36   7.292   4.229   0.486
  349    HA   CYS  36           HA       CYS  36   5.836   2.376  -1.020
  350   1HB   CYS  36          1HB       CYS  36   8.097   1.932  -0.401
  351   2HB   CYS  36          2HB       CYS  36   7.743   2.117   1.313
  352    H    TRP  37           H        TRP  37   4.019   1.064  -0.624
  353    HA   TRP  37           HA       TRP  37   2.363   1.847   1.484
  354   1HB   TRP  37          1HB       TRP  37   2.281   0.221  -0.899
  355   2HB   TRP  37          2HB       TRP  37   1.571  -0.709   0.375
  356    HD1  TRP  37           HD1      TRP  37   0.236   2.099   1.568
  357    HE1  TRP  37           HE1      TRP  37  -1.718   3.198   0.393
  358    HE3  TRP  37           HE3      TRP  37   0.761  -0.187  -2.942
  359    HZ2  TRP  37           HZ2      TRP  37  -2.784   3.239  -2.295
  360    HZ3  TRP  37           HZ3      TRP  37  -0.695   0.447  -4.830
  361    HH2  TRP  37           HH2      TRP  37  -2.437   2.183  -4.553
  362    H    LYS  38           H        LYS  38   4.090  -1.295   0.999
  363    HA   LYS  38           HA       LYS  38   3.181  -2.242   3.569
  364   1HB   LYS  38          1HB       LYS  38   3.451  -3.710   1.710
  365   2HB   LYS  38          2HB       LYS  38   5.184  -3.471   1.610
  366   1HG   LYS  38          1HG       LYS  38   5.484  -4.532   3.799
  367   2HG   LYS  38          2HG       LYS  38   3.741  -4.451   4.133
  368   1HD   LYS  38          1HD       LYS  38   3.310  -6.000   2.226
  369   2HD   LYS  38          2HD       LYS  38   5.056  -6.186   2.002
  370   1HE   LYS  38          1HE       LYS  38   3.493  -6.876   4.550
  371   2HE   LYS  38          2HE       LYS  38   4.011  -8.038   3.320
  372   1HZ   LYS  38          1HZ       LYS  38   6.278  -7.379   3.759
  373   2HZ   LYS  38          2HZ       LYS  38   5.785  -6.394   4.985
  374   3HZ   LYS  38          3HZ       LYS  38   5.559  -8.025   5.094
  375    H    CYS  39           H        CYS  39   6.548  -1.953   2.397
  376    HA   CYS  39           HA       CYS  39   7.565  -2.053   5.029
  377   1HB   CYS  39          1HB       CYS  39   9.591  -2.169   4.221
  378   2HB   CYS  39          2HB       CYS  39   8.767  -2.482   2.703
  379    H    GLY  40           H        GLY  40   6.580   0.836   3.181
  380   1HA   GLY  40          1HA       GLY  40   5.773   2.678   4.453
  381   2HA   GLY  40          2HA       GLY  40   6.985   2.402   5.684
  382    H    LYS  41           H        LYS  41   9.256   2.098   3.960
  383    HA   LYS  41           HA       LYS  41  10.159   4.736   3.999
  384   1HB   LYS  41          1HB       LYS  41  11.220   2.390   2.413
  385   2HB   LYS  41          2HB       LYS  41  12.067   3.941   2.643
  386   1HG   LYS  41          1HG       LYS  41  12.078   3.607   5.066
  387   2HG   LYS  41          2HG       LYS  41  11.266   2.034   4.882
  388   1HD   LYS  41          1HD       LYS  41  13.164   1.254   3.452
  389   2HD   LYS  41          2HD       LYS  41  13.992   2.794   3.712
  390   1HE   LYS  41          1HE       LYS  41  13.241   0.779   5.882
  391   2HE   LYS  41          2HE       LYS  41  14.848   0.982   5.172
  392   1HZ   LYS  41          1HZ       LYS  41  14.889   3.212   6.013
  393   2HZ   LYS  41          2HZ       LYS  41  13.405   3.020   6.709
  394   3HZ   LYS  41          3HZ       LYS  41  14.683   2.121   7.229
  395    H    GLU  42           H        GLU  42  10.150   6.407   2.700
  396    HA   GLU  42           HA       GLU  42   8.679   6.281   0.167
  397   1HB   GLU  42          1HB       GLU  42   9.602   8.939   0.760
  398   2HB   GLU  42          2HB       GLU  42   7.970   8.322   0.601
  399   1HG   GLU  42          1HG       GLU  42   8.155   7.609   3.055
  400   2HG   GLU  42          2HG       GLU  42   9.737   8.426   3.099
  401    H    GLY  43           H        GLY  43   9.553   8.114  -1.394
  402   1HA   GLY  43          1HA       GLY  43  11.136   8.654  -2.991
  403   2HA   GLY  43          2HA       GLY  43  12.384   7.795  -2.079
  404    H    HIS  44           H        HIS  44   9.789   5.669  -2.319
  405    HA   HIS  44           HA       HIS  44  10.049   4.688  -4.998
  406   1HB   HIS  44          1HB       HIS  44  11.173   2.597  -4.475
  407   2HB   HIS  44          2HB       HIS  44  12.247   3.929  -4.060
  408    HD1  HIS  44           HD1      HIS  44  12.731   4.319  -1.463
  409    HD2  HIS  44           HD2      HIS  44  10.274   1.066  -2.359
  410    HE1  HIS  44           HE1      HIS  44  12.609   2.864   0.624
  411    H    GLN  45           H        GLN  45   8.722   2.642  -5.209
  412    HA   GLN  45           HA       GLN  45   6.417   2.780  -3.323
  413   1HB   GLN  45          1HB       GLN  45   6.617   1.638  -6.136
  414   2HB   GLN  45          2HB       GLN  45   5.158   1.764  -5.148
  415   1HG   GLN  45          1HG       GLN  45   5.625   4.284  -5.002
  416   2HG   GLN  45          2HG       GLN  45   6.850   4.047  -6.253
  417   1HE2  GLN  45          1HE2      GLN  45   4.641   5.776  -6.556
  418   2HE2  GLN  45          2HE2      GLN  45   3.701   5.172  -7.891
  419    H    MET  46           H        MET  46   5.276   0.732  -2.894
  420    HA   MET  46           HA       MET  46   6.810  -1.298  -1.676
  421   1HB   MET  46          1HB       MET  46   4.503  -0.715  -1.154
  422   2HB   MET  46          2HB       MET  46   3.970  -1.255  -2.723
  423   1HG   MET  46          1HG       MET  46   4.934  -3.614  -1.883
  424   2HG   MET  46          2HG       MET  46   5.033  -2.792  -0.342
  425   1HE   MET  46          1HE       MET  46   2.755  -3.985  -3.248
  426   2HE   MET  46          2HE       MET  46   1.110  -3.800  -2.599
  427   3HE   MET  46          3HE       MET  46   2.025  -2.368  -3.093
  428    H    LYS  47           H        LYS  47   5.362  -1.267  -4.972
  429    HA   LYS  47           HA       LYS  47   6.063  -3.663  -5.978
  430   1HB   LYS  47          1HB       LYS  47   6.044  -0.765  -6.972
  431   2HB   LYS  47          2HB       LYS  47   6.223  -2.145  -8.005
  432   1HG   LYS  47          1HG       LYS  47   4.018  -2.901  -6.574
  433   2HG   LYS  47          2HG       LYS  47   3.857  -1.175  -6.364
  434   1HD   LYS  47          1HD       LYS  47   4.097  -2.553  -9.079
  435   2HD   LYS  47          2HD       LYS  47   2.562  -2.099  -8.331
  436   1HE   LYS  47          1HE       LYS  47   4.783  -0.112  -9.015
  437   2HE   LYS  47          2HE       LYS  47   3.379  -0.456 -10.037
  438   1HZ   LYS  47          1HZ       LYS  47   3.217   0.592  -7.301
  439   2HZ   LYS  47          2HZ       LYS  47   3.054   1.470  -8.675
  440   3HZ   LYS  47          3HZ       LYS  47   1.956   0.282  -8.327
  441    H    ASP  48           H        ASP  48   7.910  -0.707  -6.453
  442    HA   ASP  48           HA       ASP  48  10.308  -1.572  -7.426
  443   1HB   ASP  48          1HB       ASP  48   9.976   0.686  -5.421
  444   2HB   ASP  48          2HB       ASP  48  11.210   0.551  -6.647
  445    H    CYS  49           H        CYS  49   9.514  -1.076  -3.996
  446    HA   CYS  49           HA       CYS  49  12.013  -1.485  -2.929
  447   1HB   CYS  49          1HB       CYS  49  11.086  -0.804  -1.146
  448   2HB   CYS  49          2HB       CYS  49   9.498  -0.832  -1.938
  449    H    THR  50           H        THR  50  13.073  -3.095  -1.991
  450    HA   THR  50           HA       THR  50  12.004  -5.876  -1.990
  451    HB   THR  50           HB       THR  50  13.541  -5.529  -3.894
  452    HG1  THR  50           HG1      THR  50  14.847  -7.316  -3.368
  453   1HG2  THR  50          1HG2      THR  50  15.939  -5.222  -3.534
  454   2HG2  THR  50          2HG2      THR  50  15.054  -3.813  -2.925
  455   3HG2  THR  50          3HG2      THR  50  15.696  -5.021  -1.790
  456    H    GLU  51           H        GLU  51  12.103  -3.664   0.009
  457    HA   GLU  51           HA       GLU  51  14.077  -4.237   2.004
  458   1HB   GLU  51          1HB       GLU  51  11.407  -2.793   1.986
  459   2HB   GLU  51          2HB       GLU  51  12.424  -2.888   3.416
  460   1HG   GLU  51          1HG       GLU  51  13.258  -1.644   0.731
  461   2HG   GLU  51          2HG       GLU  51  12.665  -0.754   2.125
  462    H    ARG  52           H        ARG  52  10.583  -4.465   2.561
  463    HA   ARG  52           HA       ARG  52  10.821  -7.286   3.508
  464   1HB   ARG  52          1HB       ARG  52   9.543  -4.921   4.906
  465   2HB   ARG  52          2HB       ARG  52   9.211  -6.607   5.322
  466   1HG   ARG  52          1HG       ARG  52  11.658  -6.963   5.755
  467   2HG   ARG  52          2HG       ARG  52  11.939  -5.243   5.434
  468   1HD   ARG  52          1HD       ARG  52  11.824  -5.640   7.825
  469   2HD   ARG  52          2HD       ARG  52  10.449  -4.639   7.311
  470    HE   ARG  52           HE       ARG  52   9.544  -7.297   7.231
  471   1HH1  ARG  52          1HH1      ARG  52  10.755  -5.083   9.732
  472   2HH1  ARG  52          2HH1      ARG  52   9.786  -5.802  10.992
  473   1HH2  ARG  52          1HH2      ARG  52   8.289  -8.175   8.821
  474   2HH2  ARG  52          2HH2      ARG  52   8.368  -7.613  10.482
  475    H    GLN  53           H        GLN  53  10.072  -7.480   1.203
  476    HA   GLN  53           HA       GLN  53   7.290  -6.823   0.627
  477   1HB   GLN  53          1HB       GLN  53   9.294  -8.674  -0.733
  478   2HB   GLN  53          2HB       GLN  53   7.627  -8.415  -1.284
  479   1HG   GLN  53          1HG       GLN  53   8.088  -5.966  -1.462
  480   2HG   GLN  53          2HG       GLN  53   9.779  -6.274  -1.040
  481   1HE2  GLN  53          1HE2      GLN  53  10.936  -7.942  -2.494
  482   2HE2  GLN  53          2HE2      GLN  53  10.536  -7.901  -4.199
  483    H    ALA  54           H        ALA  54   8.713 -10.126   0.633
  484    HA   ALA  54           HA       ALA  54   6.281 -11.190   1.913
  485   1HB   ALA  54          1HB       ALA  54   7.245 -12.289  -0.067
  486   2HB   ALA  54          2HB       ALA  54   8.762 -12.566   0.814
  487   3HB   ALA  54          3HB       ALA  54   7.263 -13.360   1.347
  488    H    ASN  55           H        ASN  55   7.429  -9.523   3.695
  489    HA   ASN  55           HA       ASN  55   8.333 -11.297   5.855
  490   1HB   ASN  55          1HB       ASN  55   9.949  -8.846   5.028
  491   2HB   ASN  55          2HB       ASN  55  10.234  -9.853   6.450
  492   1HD2  ASN  55          1HD2      ASN  55  10.611  -9.606   2.953
  493   2HD2  ASN  55          2HD2      ASN  55  11.653 -11.004   2.784
  Start of MODEL    4
    1   1H5*    G 101          1H5*        G 101 -21.539   4.623  -8.678
    2   2H5*    G 101          2H5*        G 101 -20.668   4.202  -7.186
    3    H4*    G 101           H4*        G 101 -21.903   2.421  -9.172
    4    H3*    G 101           H3*        G 101 -21.280   2.458  -6.261
    5    H1*    G 101           H1*        G 101 -18.763   0.229  -8.172
    6    H8     G 101           H8         G 101 -19.161   1.767  -5.119
    7    H1     G 101           H1         G 101 -14.621   4.818  -8.498
    8   1H2     G 101          1H2         G 101 -14.657   4.084 -10.599
    9   2H2     G 101          2H2         G 101 -15.741   2.812 -11.123
   10    H5T    G 101           H5T        G 101 -19.342   5.280  -8.622
   11   1H2*    G 101          1H2*        G 101 -20.420   0.298  -6.074
   12   2H2*    G 101          2H2*        G 101 -21.147  -0.180  -7.625
   13   1H5*    T 102          1H5*        T 102 -25.306  -1.184  -7.062
   14   2H5*    T 102          2H5*        T 102 -25.267  -1.415  -5.311
   15    H4*    T 102           H4*        T 102 -25.285  -3.586  -6.008
   16    H3*    T 102           H3*        T 102 -22.887  -2.882  -4.849
   17   1H2*    T 102          1H2*        T 102 -21.777  -2.399  -6.920
   18   2H2*    T 102          2H2*        T 102 -21.291  -4.095  -6.712
   19    H1*    T 102           H1*        T 102 -23.021  -4.889  -8.097
   20    H3     T 102           H3         T 102 -20.904  -3.924 -12.066
   21   1H5M    T 102          1H5M        T 102 -23.201   0.627 -10.143
   22   2H5M    T 102          2H5M        T 102 -23.152   0.309 -11.888
   23   3H5M    T 102          3H5M        T 102 -21.662   0.748 -11.028
   24    H6     T 102           H6         T 102 -23.217  -1.266  -8.790
   25   1H5*    C 103          1H5*        C 103 -21.923  -7.124  -6.648
   26   2H5*    C 103          2H5*        C 103 -21.067  -8.032  -5.384
   27    H4*    C 103           H4*        C 103 -19.828  -8.177  -7.441
   28    H3*    C 103           H3*        C 103 -18.591  -7.067  -5.073
   29    H1*    C 103           H1*        C 103 -17.966  -6.581  -8.668
   30   1H4     C 103          1H4         C 103 -18.246  -0.942 -11.859
   31   2H4     C 103          2H4         C 103 -19.095  -0.199 -10.521
   32    H5     C 103           H5         C 103 -19.702  -1.452  -8.438
   33    H6     C 103           H6         C 103 -19.308  -3.297  -7.228
   34   1H2*    C 103          1H2*        C 103 -18.330  -4.968  -6.111
   35   2H2*    C 103          2H2*        C 103 -16.826  -5.702  -6.659
   36   1H5*    C 104          1H5*        C 104 -16.408  -8.645  -8.985
   37   2H5*    C 104          2H5*        C 104 -15.090  -9.683  -8.409
   38    H4*    C 104           H4*        C 104 -14.467  -8.662 -10.532
   39    H3*    C 104           H3*        C 104 -12.932  -8.470  -8.125
   40    H1*    C 104           H1*        C 104 -13.272  -5.989 -10.955
   41   1H4     C 104          1H4         C 104 -15.308  -0.025  -9.845
   42   2H4     C 104          2H4         C 104 -16.337  -0.549  -8.524
   43    H5     C 104           H5         C 104 -16.243  -2.881  -7.614
   44    H6     C 104           H6         C 104 -15.358  -5.073  -8.022
   45   1H2*    C 104          1H2*        C 104 -13.082  -6.167  -7.938
   46   2H2*    C 104          2H2*        C 104 -11.755  -6.175  -9.139
   47   1H5*    C 105          1H5*        C 105  -9.847  -7.065 -11.604
   48   2H5*    C 105          2H5*        C 105  -8.357  -7.883 -11.088
   49    H4*    C 105           H4*        C 105  -7.804  -5.583 -11.414
   50    H3*    C 105           H3*        C 105  -7.418  -6.787  -8.858
   51    H1*    C 105           H1*        C 105  -8.209  -3.371  -9.600
   52   1H4     C 105          1H4         C 105 -12.870   0.518  -7.747
   53   2H4     C 105          2H4         C 105 -13.628  -0.740  -6.797
   54    H5     C 105           H5         C 105 -12.853  -3.084  -6.845
   55    H6     C 105           H6         C 105 -11.198  -4.568  -7.718
   56   1H2*    C 105          1H2*        C 105  -9.334  -5.680  -7.997
   57   2H2*    C 105          2H2*        C 105  -8.012  -4.569  -7.494
   58   1H5*    T 106          1H5*        T 106  -4.886  -2.897 -10.381
   59   2H5*    T 106          2H5*        T 106  -3.309  -3.343 -11.067
   60    H4*    T 106           H4*        T 106  -3.182  -1.314  -9.637
   61    H3*    T 106           H3*        T 106  -1.633  -3.747  -9.035
   62   1H2*    T 106          1H2*        T 106  -1.207  -3.218  -6.666
   63   2H2*    T 106          2H2*        T 106  -1.547  -1.517  -6.981
   64    H1*    T 106           H1*        T 106  -3.564  -1.956  -6.068
   65    H3     T 106           H3         T 106  -3.251  -7.212  -6.318
   66   1H5M    T 106          1H5M        T 106  -7.538  -5.022  -4.897
   67   2H5M    T 106          2H5M        T 106  -6.699  -4.133  -3.598
   68   3H5M    T 106          3H5M        T 106  -6.781  -5.907  -3.550
   69    H6     T 106           H6         T 106  -5.459  -3.042  -5.414
   70   1H5*    G 107          1H5*        G 107   0.282  -0.491 -11.211
   71   2H5*    G 107          2H5*        G 107   1.939   0.106 -11.326
   72    H4*    G 107           H4*        G 107  -0.061   1.666 -10.531
   73    H3*    G 107           H3*        G 107   2.777   1.716  -9.540
   74    H1*    G 107           H1*        G 107  -0.413   2.520  -7.425
   75    H8     G 107           H8         G 107   1.697  -0.401  -7.097
   76    H1     G 107           H1         G 107   3.117   3.874  -2.538
   77   1H2     G 107          1H2         G 107   2.768   5.922  -3.429
   78   2H2     G 107          2H2         G 107   1.889   6.143  -4.930
   79   1H2*    G 107          1H2*        G 107   2.109   3.486  -8.054
   80   2H2*    G 107          2H2*        G 107   0.617   3.741  -8.954
   81   1H5*    T 108          1H5*        T 108   0.760   6.034 -12.418
   82   2H5*    T 108          2H5*        T 108   2.072   7.073 -11.826
   83    H4*    T 108           H4*        T 108   0.143   8.326 -11.476
   84    H3*    T 108           H3*        T 108   1.592   7.600  -9.183
   85   1H2*    T 108          1H2*        T 108   0.063   5.843  -8.582
   86   2H2*    T 108          2H2*        T 108  -0.601   7.200  -7.646
   87    H1*    T 108           H1*        T 108  -2.151   7.718  -9.323
   88    H3     T 108           H3         T 108  -5.649   4.973  -8.603
   89   1H5M    T 108          1H5M        T 108  -2.154   1.395  -9.646
   90   2H5M    T 108          2H5M        T 108  -2.077   2.140 -11.274
   91   3H5M    T 108          3H5M        T 108  -3.588   1.457 -10.678
   92    H6     T 108           H6         T 108  -1.222   4.251 -10.303
   93   1H5*    T 109          1H5*        T 109  -0.990  11.945  -9.015
   94   2H5*    T 109          2H5*        T 109  -0.883  12.650  -7.390
   95    H4*    T 109           H4*        T 109  -2.466  10.416  -8.329
   96    H3*    T 109           H3*        T 109  -2.663  11.859  -5.648
   97   1H2*    T 109          1H2*        T 109  -3.638   9.814  -4.823
   98   2H2*    T 109          2H2*        T 109  -4.502   9.492  -6.319
   99    H1*    T 109           H1*        T 109  -2.847   8.543  -7.317
  100    H3     T 109           H3         T 109   0.052   6.607  -3.468
  101   1H5M    T 109          1H5M        T 109  -2.712   4.392  -6.991
  102   2H5M    T 109          2H5M        T 109  -2.746   3.406  -5.515
  103   3H5M    T 109          3H5M        T 109  -4.177   4.367  -5.958
  104    H6     T 109           H6         T 109  -3.826   6.958  -6.261
  105   1H5*    C 110          1H5*        C 110  -5.282   9.855  -8.307
  106   2H5*    C 110          2H5*        C 110  -6.057  11.165  -9.180
  107    H4*    C 110           H4*        C 110  -6.929   8.686  -9.369
  108    H3*    C 110           H3*        C 110  -8.756  11.070  -8.997
  109    H1*    C 110           H1*        C 110  -8.764   7.324  -8.537
  110   1H4     C 110          1H4         C 110 -13.504   7.516  -3.947
  111   2H4     C 110          2H4         C 110 -14.079   6.362  -5.133
  112    H5     C 110           H5         C 110 -12.959   6.010  -7.294
  113    H6     C 110           H6         C 110 -11.009   6.658  -8.646
  114   1H2*    C 110          1H2*        C 110 -10.550   9.630  -9.016
  115   2H2*    C 110          2H2*        C 110  -9.805   8.437 -10.108
  116   1H5*    G 111          1H5*        G 111  -8.085   8.452 -12.874
  117   2H5*    G 111          2H5*        G 111  -8.786   9.250 -14.298
  118    H4*    G 111           H4*        G 111  -9.098   6.822 -14.398
  119    H3*    G 111           H3*        G 111 -11.309   8.694 -14.636
  120    H1*    G 111           H1*        G 111 -11.083   5.223 -13.537
  121    H8     G 111           H8         G 111 -13.203   6.837 -10.798
  122    H1     G 111           H1         G 111 -11.098   0.909  -9.400
  123   1H2     G 111          1H2         G 111  -9.446   0.360 -10.866
  124   2H2     G 111          2H2         G 111  -9.014   1.411 -12.192
  125   1H2*    G 111          1H2*        G 111 -12.291   7.866 -12.654
  126   2H2*    G 111          2H2*        G 111 -13.009   6.723 -13.840
  127   1H5*    G 112          1H5*        G 112  -8.528   5.693 -16.578
  128   2H5*    G 112          2H5*        G 112  -8.455   5.188 -18.272
  129    H4*    G 112           H4*        G 112  -8.455   3.258 -16.813
  130    H3*    G 112           H3*        G 112 -10.634   3.620 -18.771
  131    H1*    G 112           H1*        G 112 -10.125   1.700 -15.633
  132    H8     G 112           H8         G 112 -12.984   4.281 -14.950
  133    H1     G 112           H1         G 112 -13.133  -1.049 -11.351
  134   1H2     G 112          1H2         G 112 -11.484  -2.449 -12.056
  135   2H2     G 112          2H2         G 112 -10.316  -1.956 -13.268
  136   1H2*    G 112          1H2*        G 112 -12.228   3.255 -17.157
  137   2H2*    G 112          2H2*        G 112 -11.822   1.534 -17.364
  138   1H5*    G 113          1H5*        G 113  -8.848  -0.564 -17.125
  139   2H5*    G 113          2H5*        G 113  -8.720  -1.580 -18.575
  140    H4*    G 113           H4*        G 113  -9.227  -3.014 -16.699
  141    H3*    G 113           H3*        G 113 -10.774  -2.962 -19.052
  142    H1*    G 113           H1*        G 113 -12.000  -3.539 -15.615
  143    H8     G 113           H8         G 113 -13.075   0.052 -16.569
  144    H1     G 113           H1         G 113 -16.907  -2.847 -12.286
  145   1H2     G 113          1H2         G 113 -16.218  -4.986 -12.017
  146   2H2     G 113          2H2         G 113 -14.779  -5.586 -12.809
  147   1H2*    G 113          1H2*        G 113 -12.464  -1.686 -17.975
  148   2H2*    G 113          2H2*        G 113 -13.137  -3.301 -17.765
  149   1H5*    C 114          1H5*        C 114 -13.112  -5.628 -16.297
  150   2H5*    C 114          2H5*        C 114 -13.564  -7.162 -17.063
  151    H4*    C 114           H4*        C 114 -15.500  -6.053 -16.026
  152    H3*    C 114           H3*        C 114 -15.507  -7.049 -18.671
  153    H1*    C 114           H1*        C 114 -17.180  -3.846 -17.550
  154   1H4     C 114          1H4         C 114 -14.479   1.849 -18.930
  155   2H4     C 114          2H4         C 114 -13.282   1.098 -19.962
  156    H5     C 114           H5         C 114 -13.441  -1.292 -20.627
  157    H6     C 114           H6         C 114 -14.365  -3.390 -19.982
  158    H3T    C 114           H3T        C 114 -17.772  -7.081 -18.308
  159   1H2*    C 114          1H2*        C 114 -15.506  -5.076 -19.774
  160   2H2*    C 114          2H2*        C 114 -17.259  -5.122 -19.502
  161   1H    ASN  12          1H        ASN  12 -13.336 -11.094  -5.387
  162   2H    ASN  12          2H        ASN  12 -13.748  -9.659  -6.160
  163   3H    ASN  12          3H        ASN  12 -12.140 -10.146  -6.092
  164    HA   ASN  12           HA       ASN  12 -13.565  -8.561  -4.324
  165   1HB   ASN  12          1HB       ASN  12 -12.517 -11.142  -3.099
  166   2HB   ASN  12          2HB       ASN  12 -13.014  -9.716  -2.180
  167   1HD2  ASN  12          1HD2      ASN  12 -15.332  -8.913  -2.591
  168   2HD2  ASN  12          2HD2      ASN  12 -16.546 -10.154  -2.793
  169    H    VAL  13           H        VAL  13 -12.116  -7.564  -2.718
  170    HA   VAL  13           HA       VAL  13  -9.236  -7.621  -3.389
  171    HB   VAL  13           HB       VAL  13  -9.384  -5.084  -3.574
  172   1HG1  VAL  13          1HG1      VAL  13  -9.058  -6.570  -5.579
  173   2HG1  VAL  13          2HG1      VAL  13 -10.814  -6.480  -5.861
  174   3HG1  VAL  13          3HG1      VAL  13  -9.831  -5.005  -5.883
  175   1HG2  VAL  13          1HG2      VAL  13 -11.657  -4.782  -2.683
  176   2HG2  VAL  13          2HG2      VAL  13 -11.450  -4.037  -4.276
  177   3HG2  VAL  13          3HG2      VAL  13 -12.340  -5.556  -4.130
  178    H    LYS  14           H        LYS  14  -7.971  -6.475  -1.880
  179    HA   LYS  14           HA       LYS  14  -9.220  -5.615   0.677
  180   1HB   LYS  14          1HB       LYS  14  -6.932  -6.318   1.644
  181   2HB   LYS  14          2HB       LYS  14  -8.219  -7.496   1.495
  182   1HG   LYS  14          1HG       LYS  14  -7.227  -8.381  -0.591
  183   2HG   LYS  14          2HG       LYS  14  -5.912  -7.194  -0.485
  184   1HD   LYS  14          1HD       LYS  14  -6.539  -9.370   1.566
  185   2HD   LYS  14          2HD       LYS  14  -5.306  -9.477   0.298
  186   1HE   LYS  14          1HE       LYS  14  -4.159  -7.471   1.283
  187   2HE   LYS  14          2HE       LYS  14  -5.322  -7.496   2.624
  188   1HZ   LYS  14          1HZ       LYS  14  -3.485  -9.667   1.931
  189   2HZ   LYS  14          2HZ       LYS  14  -3.325  -8.617   3.190
  190   3HZ   LYS  14          3HZ       LYS  14  -4.578  -9.685   3.164
  191    H    CYS  15           H        CYS  15  -8.954  -3.539   0.831
  192    HA   CYS  15           HA       CYS  15  -7.447  -1.989  -0.991
  193   1HB   CYS  15          1HB       CYS  15  -9.499  -1.263   0.124
  194   2HB   CYS  15          2HB       CYS  15  -8.701  -1.367   1.696
  195    H    PHE  16           H        PHE  16  -5.260  -1.431  -0.966
  196    HA   PHE  16           HA       PHE  16  -3.484  -2.094   1.186
  197   1HB   PHE  16          1HB       PHE  16  -3.284  -0.204  -1.186
  198   2HB   PHE  16          2HB       PHE  16  -1.993  -0.408  -0.039
  199    HD1  PHE  16           HD1      PHE  16  -3.718  -1.953  -2.876
  200    HD2  PHE  16           HD2      PHE  16  -0.815  -2.583   0.251
  201    HE1  PHE  16           HE1      PHE  16  -2.648  -3.759  -4.201
  202    HE2  PHE  16           HE2      PHE  16   0.241  -4.382  -1.094
  203    HZ   PHE  16           HZ       PHE  16  -0.654  -4.916  -3.364
  204    H    ASN  17           H        ASN  17  -5.166   0.860   0.176
  205    HA   ASN  17           HA       ASN  17  -3.922   2.584   2.050
  206   1HB   ASN  17          1HB       ASN  17  -4.843   3.118  -0.235
  207   2HB   ASN  17          2HB       ASN  17  -6.470   3.004   0.450
  208   1HD2  ASN  17          1HD2      ASN  17  -6.850   5.207  -0.152
  209   2HD2  ASN  17          2HD2      ASN  17  -6.135   6.524   0.749
  210    H    CYS  18           H        CYS  18  -6.186   0.242   2.903
  211    HA   CYS  18           HA       CYS  18  -6.599   1.625   5.394
  212   1HB   CYS  18          1HB       CYS  18  -8.885   1.816   5.565
  213   2HB   CYS  18          2HB       CYS  18  -8.443   2.668   4.097
  214    H    GLY  19           H        GLY  19  -7.165  -1.244   3.365
  215   1HA   GLY  19          1HA       GLY  19  -6.661  -3.437   4.173
  216   2HA   GLY  19          2HA       GLY  19  -7.218  -2.984   5.791
  217    H    LYS  20           H        LYS  20  -9.647  -1.690   5.053
  218    HA   LYS  20           HA       LYS  20 -11.384  -3.881   5.058
  219   1HB   LYS  20          1HB       LYS  20 -11.944  -0.982   4.374
  220   2HB   LYS  20          2HB       LYS  20 -13.193  -2.216   4.595
  221   1HG   LYS  20          1HG       LYS  20 -12.379  -2.672   6.868
  222   2HG   LYS  20          2HG       LYS  20 -11.137  -1.410   6.701
  223   1HD   LYS  20          1HD       LYS  20 -12.916   0.289   6.355
  224   2HD   LYS  20          2HD       LYS  20 -14.153  -0.975   6.526
  225   1HE   LYS  20          1HE       LYS  20 -13.342  -1.450   8.832
  226   2HE   LYS  20          2HE       LYS  20 -12.125  -0.169   8.664
  227   1HZ   LYS  20          1HZ       LYS  20 -15.036   0.205   8.554
  228   2HZ   LYS  20          2HZ       LYS  20 -14.057   0.585   9.823
  229   3HZ   LYS  20          3HZ       LYS  20 -13.908   1.398   8.398
  230    H    GLU  21           H        GLU  21 -12.484  -5.021   3.601
  231    HA   GLU  21           HA       GLU  21 -11.477  -5.045   0.907
  232   1HB   GLU  21          1HB       GLU  21 -13.498  -6.760   2.427
  233   2HB   GLU  21          2HB       GLU  21 -12.931  -7.122   0.795
  234   1HG   GLU  21          1HG       GLU  21 -10.589  -7.220   1.629
  235   2HG   GLU  21          2HG       GLU  21 -11.169  -6.992   3.278
  236    H    GLY  22           H        GLY  22 -13.183  -5.743  -0.804
  237   1HA   GLY  22          1HA       GLY  22 -15.124  -5.374  -1.999
  238   2HA   GLY  22          2HA       GLY  22 -15.716  -4.261  -0.762
  239    H    HIS  23           H        HIS  23 -12.624  -3.181  -1.354
  240    HA   HIS  23           HA       HIS  23 -13.055  -1.757  -3.853
  241   1HB   HIS  23          1HB       HIS  23 -12.991   0.446  -2.828
  242   2HB   HIS  23          2HB       HIS  23 -14.428  -0.414  -2.279
  243    HD1  HIS  23           HD1      HIS  23 -14.388  -1.268   0.268
  244    HD2  HIS  23           HD2      HIS  23 -11.124   1.101  -0.864
  245    HE1  HIS  23           HE1      HIS  23 -13.203  -0.551   2.393
  246    H    THR  24           H        THR  24 -11.167  -0.377  -4.349
  247    HA   THR  24           HA       THR  24  -8.666  -1.589  -3.291
  248    HB   THR  24           HB       THR  24  -7.753  -0.811  -5.511
  249    HG1  THR  24           HG1      THR  24  -9.440  -0.281  -7.049
  250   1HG2  THR  24          1HG2      THR  24 -10.111  -2.646  -5.666
  251   2HG2  THR  24          2HG2      THR  24  -8.714  -2.519  -6.780
  252   3HG2  THR  24          3HG2      THR  24  -8.475  -3.055  -5.113
  253    H    ALA  25           H        ALA  25  -6.779  -0.004  -3.928
  254    HA   ALA  25           HA       ALA  25  -6.602   1.848  -1.866
  255   1HB   ALA  25          1HB       ALA  25  -4.716   0.684  -2.985
  256   2HB   ALA  25          2HB       ALA  25  -4.993   1.623  -4.460
  257   3HB   ALA  25          3HB       ALA  25  -4.469   2.443  -2.969
  258    H    ARG  26           H        ARG  26  -7.164   2.600  -5.399
  259    HA   ARG  26           HA       ARG  26  -7.188   5.421  -4.810
  260   1HB   ARG  26          1HB       ARG  26  -7.505   5.818  -7.019
  261   2HB   ARG  26          2HB       ARG  26  -6.494   4.368  -6.966
  262   1HG   ARG  26          1HG       ARG  26  -8.418   2.961  -7.602
  263   2HG   ARG  26          2HG       ARG  26  -9.501   4.344  -7.440
  264   1HD   ARG  26          1HD       ARG  26  -9.277   4.559  -9.632
  265   2HD   ARG  26          2HD       ARG  26  -7.805   5.436  -9.235
  266    HE   ARG  26           HE       ARG  26  -7.068   2.751  -9.416
  267   1HH1  ARG  26          1HH1      ARG  26  -8.355   5.269 -11.577
  268   2HH1  ARG  26          2HH1      ARG  26  -7.527   4.654 -12.980
  269   1HH2  ARG  26          1HH2      ARG  26  -6.033   1.941 -11.262
  270   2HH2  ARG  26          2HH2      ARG  26  -6.205   2.740 -12.805
  271    H    ASN  27           H        ASN  27  -9.669   2.923  -5.244
  272    HA   ASN  27           HA       ASN  27 -12.001   4.485  -5.289
  273   1HB   ASN  27          1HB       ASN  27 -11.739   2.008  -5.744
  274   2HB   ASN  27          2HB       ASN  27 -11.594   1.766  -4.012
  275   1HD2  ASN  27          1HD2      ASN  27 -13.755   1.821  -6.612
  276   2HD2  ASN  27          2HD2      ASN  27 -15.240   1.891  -5.681
  277    H    CYS  28           H        CYS  28 -10.012   3.314  -2.619
  278    HA   CYS  28           HA       CYS  28 -11.555   3.575  -0.412
  279   1HB   CYS  28          1HB       CYS  28  -9.169   2.801  -0.621
  280   2HB   CYS  28          2HB       CYS  28  -8.664   4.475  -0.566
  281    H    ARG  29           H        ARG  29 -12.536   5.138   0.734
  282    HA   ARG  29           HA       ARG  29 -12.214   7.967   0.045
  283   1HB   ARG  29          1HB       ARG  29 -14.415   6.797   0.478
  284   2HB   ARG  29          2HB       ARG  29 -13.964   6.765   2.187
  285   1HG   ARG  29          1HG       ARG  29 -15.249   8.716   1.951
  286   2HG   ARG  29          2HG       ARG  29 -13.588   9.337   1.922
  287   1HD   ARG  29          1HD       ARG  29 -13.694   9.466  -0.560
  288   2HD   ARG  29          2HD       ARG  29 -15.334   8.784  -0.520
  289    HE   ARG  29           HE       ARG  29 -15.324  11.048   1.147
  290   1HH1  ARG  29          1HH1      ARG  29 -14.883  10.315  -2.299
  291   2HH1  ARG  29          2HH1      ARG  29 -15.478  11.865  -2.835
  292   1HH2  ARG  29          1HH2      ARG  29 -16.104  13.079   0.429
  293   2HH2  ARG  29          2HH2      ARG  29 -16.177  13.444  -1.275
  294    H    ALA  30           H        ALA  30  -9.849   7.474   0.680
  295    HA   ALA  30           HA       ALA  30  -9.310   8.885   3.154
  296   1HB   ALA  30          1HB       ALA  30  -9.338   6.527   3.985
  297   2HB   ALA  30          2HB       ALA  30  -8.161   6.082   2.733
  298   3HB   ALA  30          3HB       ALA  30  -7.704   7.211   4.012
  299    HA   PRO  31           HA       PRO  31  -6.240  10.420   0.206
  300   1HB   PRO  31          1HB       PRO  31  -4.478  10.498   2.674
  301   2HB   PRO  31          2HB       PRO  31  -4.676  11.752   1.416
  302   1HG   PRO  31          1HG       PRO  31  -5.948  11.981   3.810
  303   2HG   PRO  31          2HG       PRO  31  -6.806  12.375   2.292
  304   1HD   PRO  31          1HD       PRO  31  -7.079   9.858   3.963
  305   2HD   PRO  31          2HD       PRO  31  -8.295  10.816   3.072
  306    H    ARG  32           H        ARG  32  -4.543   9.401  -1.025
  307    HA   ARG  32           HA       ARG  32  -3.888   6.649  -0.169
  308   1HB   ARG  32          1HB       ARG  32  -3.507   8.091  -2.806
  309   2HB   ARG  32          2HB       ARG  32  -2.855   6.494  -2.417
  310   1HG   ARG  32          1HG       ARG  32  -4.845   6.188  -3.682
  311   2HG   ARG  32          2HG       ARG  32  -5.016   5.547  -2.050
  312   1HD   ARG  32          1HD       ARG  32  -7.051   6.604  -2.770
  313   2HD   ARG  32          2HD       ARG  32  -6.376   7.508  -1.425
  314    HE   ARG  32           HE       ARG  32  -5.377   8.887  -3.546
  315   1HH1  ARG  32          1HH1      ARG  32  -8.686   7.789  -2.741
  316   2HH1  ARG  32          2HH1      ARG  32  -9.433   9.059  -3.674
  317   1HH2  ARG  32          1HH2      ARG  32  -6.447  10.672  -4.601
  318   2HH2  ARG  32          2HH2      ARG  32  -8.182  10.607  -4.774
  319    H    LYS  33           H        LYS  33  -1.800   5.793  -0.135
  320    HA   LYS  33           HA       LYS  33   0.148   7.526   1.101
  321   1HB   LYS  33          1HB       LYS  33  -0.514   5.460   2.102
  322   2HB   LYS  33          2HB       LYS  33  -0.365   4.595   0.580
  323   1HG   LYS  33          1HG       LYS  33   1.296   3.931   2.026
  324   2HG   LYS  33          2HG       LYS  33   2.089   4.743   0.665
  325   1HD   LYS  33          1HD       LYS  33   2.422   6.736   2.065
  326   2HD   LYS  33          2HD       LYS  33   1.507   5.973   3.397
  327   1HE   LYS  33          1HE       LYS  33   3.200   4.206   3.604
  328   2HE   LYS  33          2HE       LYS  33   4.089   4.853   2.219
  329   1HZ   LYS  33          1HZ       LYS  33   4.492   6.843   3.483
  330   2HZ   LYS  33          2HZ       LYS  33   3.692   6.217   4.783
  331   3HZ   LYS  33          3HZ       LYS  33   5.081   5.507   4.245
  332    H    LYS  34           H        LYS  34   1.949   8.254   0.122
  333    HA   LYS  34           HA       LYS  34   2.377   7.798  -2.743
  334   1HB   LYS  34          1HB       LYS  34   3.557   9.661  -0.662
  335   2HB   LYS  34          2HB       LYS  34   4.152   9.587  -2.314
  336   1HG   LYS  34          1HG       LYS  34   1.219   9.822  -2.296
  337   2HG   LYS  34          2HG       LYS  34   1.961  11.087  -1.320
  338   1HD   LYS  34          1HD       LYS  34   1.672  11.869  -3.582
  339   2HD   LYS  34          2HD       LYS  34   3.399  11.756  -3.208
  340   1HE   LYS  34          1HE       LYS  34   3.550   9.639  -4.506
  341   2HE   LYS  34          2HE       LYS  34   1.803   9.677  -4.785
  342   1HZ   LYS  34          1HZ       LYS  34   2.094  11.713  -5.980
  343   2HZ   LYS  34          2HZ       LYS  34   3.730  11.663  -5.753
  344   3HZ   LYS  34          3HZ       LYS  34   2.971  10.499  -6.647
  345    H    GLY  35           H        GLY  35   4.073   7.269   0.372
  346   1HA   GLY  35          1HA       GLY  35   6.468   6.140  -0.784
  347   2HA   GLY  35          2HA       GLY  35   5.947   6.121   0.910
  348    H    CYS  36           H        CYS  36   6.848   3.920   0.862
  349    HA   CYS  36           HA       CYS  36   5.746   1.850  -0.756
  350   1HB   CYS  36          1HB       CYS  36   7.992   1.898   0.284
  351   2HB   CYS  36          2HB       CYS  36   7.252   1.670   1.871
  352    H    TRP  37           H        TRP  37   3.749   0.883  -0.536
  353    HA   TRP  37           HA       TRP  37   2.024   1.271   1.687
  354   1HB   TRP  37          1HB       TRP  37   2.153  -0.808  -0.538
  355   2HB   TRP  37          2HB       TRP  37   0.891  -0.795   0.684
  356    HD1  TRP  37           HD1      TRP  37   0.577   2.516   0.545
  357    HE1  TRP  37           HE1      TRP  37  -1.013   3.375  -1.283
  358    HE3  TRP  37           HE3      TRP  37   0.779  -1.459  -2.681
  359    HZ2  TRP  37           HZ2      TRP  37  -2.239   2.377  -3.612
  360    HZ3  TRP  37           HZ3      TRP  37  -0.578  -1.444  -4.741
  361    HH2  TRP  37           HH2      TRP  37  -2.109   0.458  -5.231
  362    H    LYS  38           H        LYS  38   4.098  -1.550   0.848
  363    HA   LYS  38           HA       LYS  38   3.189  -3.123   3.013
  364   1HB   LYS  38          1HB       LYS  38   4.088  -4.086   1.031
  365   2HB   LYS  38          2HB       LYS  38   5.639  -3.303   1.210
  366   1HG   LYS  38          1HG       LYS  38   5.682  -5.691   1.807
  367   2HG   LYS  38          2HG       LYS  38   6.132  -4.700   3.200
  368   1HD   LYS  38          1HD       LYS  38   3.913  -5.007   4.191
  369   2HD   LYS  38          2HD       LYS  38   3.329  -5.815   2.720
  370   1HE   LYS  38          1HE       LYS  38   4.991  -7.639   3.085
  371   2HE   LYS  38          2HE       LYS  38   5.552  -6.822   4.556
  372   1HZ   LYS  38          1HZ       LYS  38   2.840  -7.849   4.094
  373   2HZ   LYS  38          2HZ       LYS  38   3.993  -8.552   5.037
  374   3HZ   LYS  38          3HZ       LYS  38   3.359  -7.093   5.464
  375    H    CYS  39           H        CYS  39   6.515  -1.970   2.633
  376    HA   CYS  39           HA       CYS  39   6.953  -2.266   5.486
  377   1HB   CYS  39          1HB       CYS  39   9.217  -0.931   4.390
  378   2HB   CYS  39          2HB       CYS  39   9.059  -2.547   5.046
  379    H    GLY  40           H        GLY  40   6.035   0.536   3.571
  380   1HA   GLY  40          1HA       GLY  40   4.994   2.329   4.747
  381   2HA   GLY  40          2HA       GLY  40   6.056   2.091   6.120
  382    H    LYS  41           H        LYS  41   8.525   1.858   4.729
  383    HA   LYS  41           HA       LYS  41   9.450   4.424   4.840
  384   1HB   LYS  41          1HB       LYS  41  10.577   2.164   3.144
  385   2HB   LYS  41          2HB       LYS  41  11.434   3.653   3.608
  386   1HG   LYS  41          1HG       LYS  41  11.026   3.030   6.021
  387   2HG   LYS  41          2HG       LYS  41  10.416   1.472   5.441
  388   1HD   LYS  41          1HD       LYS  41  12.572   1.040   4.282
  389   2HD   LYS  41          2HD       LYS  41  13.213   2.575   4.884
  390   1HE   LYS  41          1HE       LYS  41  12.296   0.235   6.622
  391   2HE   LYS  41          2HE       LYS  41  13.975   0.607   6.201
  392   1HZ   LYS  41          1HZ       LYS  41  13.738   2.704   7.311
  393   2HZ   LYS  41          2HZ       LYS  41  12.185   2.352   7.738
  394   3HZ   LYS  41          3HZ       LYS  41  13.428   1.453   8.336
  395    H    GLU  42           H        GLU  42   9.608   6.126   3.606
  396    HA   GLU  42           HA       GLU  42   8.164   6.131   1.039
  397   1HB   GLU  42          1HB       GLU  42   8.857   8.791   1.842
  398   2HB   GLU  42          2HB       GLU  42   7.294   8.045   1.632
  399   1HG   GLU  42          1HG       GLU  42   7.436   8.969   3.836
  400   2HG   GLU  42          2HG       GLU  42   7.473   7.218   4.036
  401    H    GLY  43           H        GLY  43   8.955   8.149  -0.323
  402   1HA   GLY  43          1HA       GLY  43  10.513   8.900  -1.850
  403   2HA   GLY  43          2HA       GLY  43  11.810   8.116  -0.935
  404    H    HIS  44           H        HIS  44   9.287   5.885  -1.518
  405    HA   HIS  44           HA       HIS  44   9.867   5.071  -4.200
  406   1HB   HIS  44          1HB       HIS  44  10.957   2.956  -3.672
  407   2HB   HIS  44          2HB       HIS  44  11.961   4.280  -3.104
  408    HD1  HIS  44           HD1      HIS  44  12.448   4.389  -0.544
  409    HD2  HIS  44           HD2      HIS  44   9.685   1.448  -1.622
  410    HE1  HIS  44           HE1      HIS  44  12.151   2.848   1.468
  411    H    GLN  45           H        GLN  45   8.353   3.436  -4.843
  412    HA   GLN  45           HA       GLN  45   5.993   3.138  -3.084
  413   1HB   GLN  45          1HB       GLN  45   6.602   2.137  -5.894
  414   2HB   GLN  45          2HB       GLN  45   5.053   1.990  -5.065
  415   1HG   GLN  45          1HG       GLN  45   4.892   4.476  -4.940
  416   2HG   GLN  45          2HG       GLN  45   6.398   4.600  -5.865
  417   1HE2  GLN  45          1HE2      GLN  45   4.186   5.822  -6.984
  418   2HE2  GLN  45          2HE2      GLN  45   3.745   4.890  -8.402
  419    H    MET  46           H        MET  46   5.016   0.866  -3.012
  420    HA   MET  46           HA       MET  46   6.817  -1.062  -1.905
  421   1HB   MET  46          1HB       MET  46   4.579  -0.909  -1.179
  422   2HB   MET  46          2HB       MET  46   3.922  -1.159  -2.786
  423   1HG   MET  46          1HG       MET  46   5.631  -3.186  -1.288
  424   2HG   MET  46          2HG       MET  46   3.870  -3.107  -1.142
  425   1HE   MET  46          1HE       MET  46   2.178  -3.495  -3.102
  426   2HE   MET  46          2HE       MET  46   3.019  -2.494  -4.316
  427   3HE   MET  46          3HE       MET  46   2.624  -4.175  -4.682
  428    H    LYS  47           H        LYS  47   5.313  -0.749  -5.115
  429    HA   LYS  47           HA       LYS  47   6.217  -2.920  -6.472
  430   1HB   LYS  47          1HB       LYS  47   5.633   0.009  -6.912
  431   2HB   LYS  47          2HB       LYS  47   6.476  -0.776  -8.177
  432   1HG   LYS  47          1HG       LYS  47   3.873  -1.807  -6.961
  433   2HG   LYS  47          2HG       LYS  47   3.931  -0.644  -8.282
  434   1HD   LYS  47          1HD       LYS  47   3.678  -2.465  -9.580
  435   2HD   LYS  47          2HD       LYS  47   5.424  -2.404  -9.534
  436   1HE   LYS  47          1HE       LYS  47   4.430  -4.673  -9.337
  437   2HE   LYS  47          2HE       LYS  47   5.483  -4.299  -7.978
  438   1HZ   LYS  47          1HZ       LYS  47   2.553  -4.007  -7.914
  439   2HZ   LYS  47          2HZ       LYS  47   3.365  -5.358  -7.409
  440   3HZ   LYS  47          3HZ       LYS  47   3.597  -3.923  -6.642
  441    H    ASP  48           H        ASP  48   7.834   0.224  -6.149
  442    HA   ASP  48           HA       ASP  48  10.279  -0.350  -7.410
  443   1HB   ASP  48          1HB       ASP  48   9.723   1.603  -5.150
  444   2HB   ASP  48          2HB       ASP  48  11.065   1.682  -6.272
  445    H    CYS  49           H        CYS  49   9.371  -0.439  -3.995
  446    HA   CYS  49           HA       CYS  49  11.651  -0.590  -2.670
  447   1HB   CYS  49          1HB       CYS  49   9.210  -0.694  -1.818
  448   2HB   CYS  49          2HB       CYS  49   9.423  -2.444  -1.829
  449    H    THR  50           H        THR  50  13.170  -1.943  -1.990
  450    HA   THR  50           HA       THR  50  13.356  -4.703  -3.118
  451    HB   THR  50           HB       THR  50  15.793  -4.421  -2.715
  452    HG1  THR  50           HG1      THR  50  15.166  -1.689  -2.305
  453   1HG2  THR  50          1HG2      THR  50  16.218  -2.927  -4.610
  454   2HG2  THR  50          2HG2      THR  50  14.821  -3.967  -4.950
  455   3HG2  THR  50          3HG2      THR  50  14.575  -2.264  -4.504
  456    H    GLU  51           H        GLU  51  13.062  -2.845  -0.175
  457    HA   GLU  51           HA       GLU  51  14.357  -4.315   1.742
  458   1HB   GLU  51          1HB       GLU  51  11.668  -2.941   1.883
  459   2HB   GLU  51          2HB       GLU  51  12.589  -3.420   3.293
  460   1HG   GLU  51          1HG       GLU  51  13.636  -1.432   1.211
  461   2HG   GLU  51          2HG       GLU  51  12.675  -0.979   2.615
  462    H    ARG  52           H        ARG  52  10.817  -4.618   1.244
  463    HA   ARG  52           HA       ARG  52  10.756  -7.508   1.234
  464   1HB   ARG  52          1HB       ARG  52   9.731  -5.972   3.658
  465   2HB   ARG  52          2HB       ARG  52   9.238  -7.614   3.221
  466   1HG   ARG  52          1HG       ARG  52  11.680  -8.296   3.356
  467   2HG   ARG  52          2HG       ARG  52  12.006  -6.699   4.075
  468   1HD   ARG  52          1HD       ARG  52  10.422  -7.168   5.888
  469   2HD   ARG  52          2HD       ARG  52  10.065  -8.762   5.180
  470    HE   ARG  52           HE       ARG  52  12.858  -8.587   5.523
  471   1HH1  ARG  52          1HH1      ARG  52   9.951  -8.712   7.553
  472   2HH1  ARG  52          2HH1      ARG  52  10.769  -9.461   8.900
  473   1HH2  ARG  52          1HH2      ARG  52  13.921  -9.570   7.295
  474   2HH2  ARG  52          2HH2      ARG  52  13.040  -9.953   8.751
  475    H    GLN  53           H        GLN  53   9.556  -7.367  -0.622
  476    HA   GLN  53           HA       GLN  53   7.341  -5.481  -0.925
  477   1HB   GLN  53          1HB       GLN  53   8.224  -7.775  -2.722
  478   2HB   GLN  53          2HB       GLN  53   7.119  -6.452  -3.138
  479   1HG   GLN  53          1HG       GLN  53   9.018  -4.837  -2.595
  480   2HG   GLN  53          2HG       GLN  53  10.093  -6.244  -2.557
  481   1HE2  GLN  53          1HE2      GLN  53   7.915  -4.288  -4.574
  482   2HE2  GLN  53          2HE2      GLN  53   8.573  -4.794  -6.113
  483    H    ALA  54           H        ALA  54   5.399  -6.847  -2.204
  484    HA   ALA  54           HA       ALA  54   4.454  -9.126  -0.615
  485   1HB   ALA  54          1HB       ALA  54   3.039  -6.424  -0.541
  486   2HB   ALA  54          2HB       ALA  54   2.398  -7.951   0.105
  487   3HB   ALA  54          3HB       ALA  54   3.849  -7.228   0.822
  488    H    ASN  55           H        ASN  55   3.925  -6.721  -3.193
  489    HA   ASN  55           HA       ASN  55   2.454  -8.677  -4.841
  490   1HB   ASN  55          1HB       ASN  55   0.721  -7.560  -3.552
  491   2HB   ASN  55          2HB       ASN  55   1.427  -5.978  -3.868
  492   1HD2  ASN  55          1HD2      ASN  55   0.920  -4.891  -5.816
  493   2HD2  ASN  55          2HD2      ASN  55  -0.258  -5.524  -6.944
  Start of MODEL    5
    1   1H5*    G 101          1H5*        G 101 -17.051   2.672  -2.429
    2   2H5*    G 101          2H5*        G 101 -16.632   2.970  -0.729
    3    H4*    G 101           H4*        G 101 -18.803   2.391  -0.357
    4    H3*    G 101           H3*        G 101 -17.318   0.228   0.290
    5    H1*    G 101           H1*        G 101 -19.750  -0.375  -2.947
    6    H8     G 101           H8         G 101 -16.113  -0.592  -3.453
    7    H1     G 101           H1         G 101 -19.041   2.499  -8.254
    8   1H2     G 101          1H2         G 101 -21.175   2.982  -7.652
    9   2H2     G 101          2H2         G 101 -21.802   2.523  -6.085
   10    H5T    G 101           H5T        G 101 -15.165   1.623  -1.884
   11   1H2*    G 101          1H2*        G 101 -17.263  -1.059  -1.679
   12   2H2*    G 101          2H2*        G 101 -18.899  -1.517  -1.249
   13   1H5*    T 102          1H5*        T 102 -22.226  -1.969   1.231
   14   2H5*    T 102          2H5*        T 102 -21.361  -3.008   2.368
   15    H4*    T 102           H4*        T 102 -22.508  -4.600   1.234
   16    H3*    T 102           H3*        T 102 -19.817  -4.686   0.640
   17   1H2*    T 102          1H2*        T 102 -20.003  -3.390  -1.370
   18   2H2*    T 102          2H2*        T 102 -20.114  -5.011  -2.070
   19    H1*    T 102           H1*        T 102 -22.479  -4.951  -2.100
   20    H3     T 102           H3         T 102 -22.842  -2.402  -5.905
   21   1H5M    T 102          1H5M        T 102 -21.843   0.893  -1.687
   22   2H5M    T 102          2H5M        T 102 -23.328   1.201  -2.610
   23   3H5M    T 102          3H5M        T 102 -21.745   1.477  -3.358
   24    H6     T 102           H6         T 102 -21.778  -1.420  -1.319
   25   1H5*    C 103          1H5*        C 103 -20.854  -7.983  -2.597
   26   2H5*    C 103          2H5*        C 103 -19.527  -9.123  -2.287
   27    H4*    C 103           H4*        C 103 -19.382  -8.462  -4.553
   28    H3*    C 103           H3*        C 103 -17.199  -7.487  -2.777
   29    H1*    C 103           H1*        C 103 -18.678  -6.804  -6.085
   30   1H4     C 103          1H4         C 103 -19.697  -0.943  -8.464
   31   2H4     C 103          2H4         C 103 -20.057  -0.306  -6.871
   32    H5     C 103           H5         C 103 -19.736  -1.605  -4.814
   33    H6     C 103           H6         C 103 -19.214  -3.752  -3.918
   34   1H2*    C 103          1H2*        C 103 -17.267  -5.397  -3.790
   35   2H2*    C 103          2H2*        C 103 -16.507  -6.196  -5.171
   36   1H5*    C 104          1H5*        C 104 -16.472  -8.975  -7.454
   37   2H5*    C 104          2H5*        C 104 -15.085 -10.042  -7.161
   38    H4*    C 104           H4*        C 104 -14.806  -9.113  -9.344
   39    H3*    C 104           H3*        C 104 -12.871  -8.841  -7.314
   40    H1*    C 104           H1*        C 104 -13.672  -6.352  -9.975
   41   1H4     C 104          1H4         C 104 -16.165  -0.567  -8.733
   42   2H4     C 104          2H4         C 104 -16.797  -1.112  -7.192
   43    H5     C 104           H5         C 104 -16.376  -3.376  -6.287
   44    H6     C 104           H6         C 104 -15.360  -5.493  -6.769
   45   1H2*    C 104          1H2*        C 104 -13.247  -6.540  -6.982
   46   2H2*    C 104          2H2*        C 104 -12.016  -6.410  -8.265
   47   1H5*    C 105          1H5*        C 105 -10.488  -6.907 -11.087
   48   2H5*    C 105          2H5*        C 105  -8.918  -7.698 -10.882
   49    H4*    C 105           H4*        C 105  -8.388  -5.413 -11.007
   50    H3*    C 105           H3*        C 105  -7.795  -6.713  -8.568
   51    H1*    C 105           H1*        C 105  -8.876  -3.290  -8.859
   52   1H4     C 105          1H4         C 105 -13.815   0.010  -6.755
   53   2H4     C 105          2H4         C 105 -14.229  -1.272  -5.641
   54    H5     C 105           H5         C 105 -13.134  -3.505  -5.719
   55    H6     C 105           H6         C 105 -11.465  -4.800  -6.792
   56   1H2*    C 105          1H2*        C 105  -9.742  -5.839  -7.509
   57   2H2*    C 105          2H2*        C 105  -8.492  -4.652  -7.024
   58   1H5*    T 106          1H5*        T 106  -5.511  -2.692 -10.530
   59   2H5*    T 106          2H5*        T 106  -4.055  -3.410 -11.252
   60    H4*    T 106           H4*        T 106  -3.684  -1.089 -10.468
   61    H3*    T 106           H3*        T 106  -2.095  -3.361  -9.463
   62   1H2*    T 106          1H2*        T 106  -1.289  -2.276  -7.431
   63   2H2*    T 106          2H2*        T 106  -1.605  -0.695  -8.116
   64    H1*    T 106           H1*        T 106  -3.439  -0.699  -6.862
   65    H3     T 106           H3         T 106  -3.265  -5.762  -5.509
   66   1H5M    T 106          1H5M        T 106  -7.124  -2.842  -4.016
   67   2H5M    T 106          2H5M        T 106  -6.067  -3.338  -2.673
   68   3H5M    T 106          3H5M        T 106  -5.953  -1.691  -3.318
   69    H6     T 106           H6         T 106  -5.265  -1.405  -5.661
   70   1H5*    G 107          1H5*        G 107   0.244   0.671 -11.149
   71   2H5*    G 107          2H5*        G 107   1.935   0.741 -10.630
   72    H4*    G 107           H4*        G 107  -0.286   2.398  -9.924
   73    H3*    G 107           H3*        G 107   2.580   2.459  -8.920
   74    H1*    G 107           H1*        G 107  -0.520   2.992  -6.773
   75    H8     G 107           H8         G 107   2.192   0.443  -7.061
   76    H1     G 107           H1         G 107   2.628   3.947  -1.697
   77   1H2     G 107          1H2         G 107   1.360   5.777  -1.905
   78   2H2     G 107          2H2         G 107   0.396   6.098  -3.325
   79   1H2*    G 107          1H2*        G 107   1.660   4.382  -7.571
   80   2H2*    G 107          2H2*        G 107   0.185   4.275  -8.533
   81   1H5*    T 108          1H5*        T 108   1.244   6.720 -12.262
   82   2H5*    T 108          2H5*        T 108   1.982   7.923 -11.190
   83    H4*    T 108           H4*        T 108  -0.187   8.718 -11.668
   84    H3*    T 108           H3*        T 108   0.356   8.188  -8.993
   85   1H2*    T 108          1H2*        T 108  -0.736   6.106  -8.983
   86   2H2*    T 108          2H2*        T 108  -2.104   7.117  -8.448
   87    H1*    T 108           H1*        T 108  -2.935   7.340 -10.648
   88    H3     T 108           H3         T 108  -4.243   3.671 -13.242
   89   1H5M    T 108          1H5M        T 108  -2.348   2.151  -8.366
   90   2H5M    T 108          2H5M        T 108  -2.295   0.997  -9.717
   91   3H5M    T 108          3H5M        T 108  -3.850   1.483  -9.019
   92    H6     T 108           H6         T 108  -2.007   4.343  -9.045
   93   1H5*    T 109          1H5*        T 109  -2.853  11.502 -10.167
   94   2H5*    T 109          2H5*        T 109  -3.451  12.573  -8.885
   95    H4*    T 109           H4*        T 109  -5.279  11.775 -10.368
   96    H3*    T 109           H3*        T 109  -5.457  11.715  -7.583
   97   1H2*    T 109          1H2*        T 109  -4.826   9.430  -7.532
   98   2H2*    T 109          2H2*        T 109  -6.565   9.210  -7.402
   99    H1*    T 109           H1*        T 109  -6.731   9.300  -9.939
  100    H3     T 109           H3         T 109  -6.506   5.047 -11.432
  101   1H5M    T 109          1H5M        T 109  -3.337   5.079  -7.322
  102   2H5M    T 109          2H5M        T 109  -4.856   5.063  -6.390
  103   3H5M    T 109          3H5M        T 109  -4.451   3.697  -7.447
  104    H6     T 109           H6         T 109  -4.730   7.365  -7.623
  105   1H5*    C 110          1H5*        C 110  -8.332   8.724  -8.629
  106   2H5*    C 110          2H5*        C 110  -9.013   9.885  -9.801
  107    H4*    C 110           H4*        C 110 -10.105   7.686  -9.735
  108    H3*    C 110           H3*        C 110 -11.921   9.947  -8.811
  109    H1*    C 110           H1*        C 110 -11.744   6.172  -8.480
  110   1H4     C 110          1H4         C 110 -15.089   6.096  -3.025
  111   2H4     C 110          2H4         C 110 -16.149   5.226  -4.114
  112    H5     C 110           H5         C 110 -15.868   5.328  -6.580
  113    H6     C 110           H6         C 110 -14.280   5.952  -8.301
  114   1H2*    C 110          1H2*        C 110 -13.633   8.293  -9.049
  115   2H2*    C 110          2H2*        C 110 -12.634   7.308 -10.152
  116   1H5*    G 111          1H5*        G 111 -11.389   7.802 -12.934
  117   2H5*    G 111          2H5*        G 111 -12.306   8.623 -14.212
  118    H4*    G 111           H4*        G 111 -12.352   6.279 -14.646
  119    H3*    G 111           H3*        G 111 -14.770   7.754 -14.385
  120    H1*    G 111           H1*        G 111 -14.120   4.228 -13.630
  121    H8     G 111           H8         G 111 -16.042   5.334 -10.698
  122    H1     G 111           H1         G 111 -12.410   0.269  -9.145
  123   1H2     G 111          1H2         G 111 -11.150  -0.319 -10.925
  124   2H2     G 111          2H2         G 111 -11.190   0.588 -12.425
  125   1H2*    G 111          1H2*        G 111 -15.142   6.730 -12.234
  126   2H2*    G 111          2H2*        G 111 -16.116   5.638 -13.246
  127   1H5*    G 112          1H5*        G 112 -13.684   4.380 -17.205
  128   2H5*    G 112          2H5*        G 112 -14.670   4.594 -18.650
  129    H4*    G 112           H4*        G 112 -13.718   2.377 -18.605
  130    H3*    G 112           H3*        G 112 -16.435   2.692 -19.031
  131    H1*    G 112           H1*        G 112 -15.119   0.052 -16.644
  132    H8     G 112           H8         G 112 -16.661   3.095 -14.677
  133    H1     G 112           H1         G 112 -14.656  -1.707 -10.912
  134   1H2     G 112          1H2         G 112 -13.525  -3.232 -12.177
  135   2H2     G 112          2H2         G 112 -13.332  -3.026 -13.905
  136   1H2*    G 112          1H2*        G 112 -17.054   2.369 -16.761
  137   2H2*    G 112          2H2*        G 112 -17.275   0.714 -17.313
  138   1H5*    G 113          1H5*        G 113 -14.566  -1.415 -18.055
  139   2H5*    G 113          2H5*        G 113 -15.062  -2.541 -19.266
  140    H4*    G 113           H4*        G 113 -14.936  -3.756 -17.195
  141    H3*    G 113           H3*        G 113 -17.561  -3.397 -18.482
  142    H1*    G 113           H1*        G 113 -16.476  -3.913 -14.922
  143    H8     G 113           H8         G 113 -18.349  -0.583 -15.424
  144    H1     G 113           H1         G 113 -18.366  -2.885  -9.419
  145   1H2     G 113          1H2         G 113 -17.442  -4.965  -9.457
  146   2H2     G 113          2H2         G 113 -16.617  -5.567 -10.880
  147   1H2*    G 113          1H2*        G 113 -18.523  -2.527 -16.698
  148   2H2*    G 113          2H2*        G 113 -18.638  -4.140 -16.016
  149   1H5*    C 114          1H5*        C 114 -17.768  -5.554 -14.342
  150   2H5*    C 114          2H5*        C 114 -17.324  -7.250 -14.157
  151    H4*    C 114           H4*        C 114 -19.469  -6.882 -13.114
  152    H3*    C 114           H3*        C 114 -19.203  -8.837 -15.128
  153    H1*    C 114           H1*        C 114 -22.190  -6.531 -14.727
  154   1H4     C 114          1H4         C 114 -23.368  -1.941 -19.098
  155   2H4     C 114          2H4         C 114 -21.757  -2.077 -19.770
  156    H5     C 114           H5         C 114 -20.116  -3.755 -18.963
  157    H6     C 114           H6         C 114 -19.777  -5.555 -17.405
  158    H3T    C 114           H3T        C 114 -21.437  -8.238 -13.464
  159   1H2*    C 114          1H2*        C 114 -20.291  -7.654 -16.821
  160   2H2*    C 114          2H2*        C 114 -21.723  -8.416 -16.087
  161   1H    ASN  12          1H        ASN  12 -12.801 -11.198  -5.593
  162   2H    ASN  12          2H        ASN  12 -11.713 -10.224  -6.427
  163   3H    ASN  12          3H        ASN  12 -11.150 -11.504  -5.491
  164    HA   ASN  12           HA       ASN  12 -12.499  -9.077  -4.551
  165   1HB   ASN  12          1HB       ASN  12 -12.231  -9.878  -2.289
  166   2HB   ASN  12          2HB       ASN  12 -13.063 -11.134  -3.209
  167   1HD2  ASN  12          1HD2      ASN  12 -10.644 -10.684  -0.944
  168   2HD2  ASN  12          2HD2      ASN  12  -9.684 -12.109  -1.286
  169    H    VAL  13           H        VAL  13 -11.119  -7.962  -2.853
  170    HA   VAL  13           HA       VAL  13  -8.238  -7.956  -3.376
  171    HB   VAL  13           HB       VAL  13  -9.241  -6.690  -5.281
  172   1HG1  VAL  13          1HG1      VAL  13 -10.384  -4.824  -3.147
  173   2HG1  VAL  13          2HG1      VAL  13 -10.333  -4.510  -4.868
  174   3HG1  VAL  13          3HG1      VAL  13 -11.323  -5.844  -4.261
  175   1HG2  VAL  13          1HG2      VAL  13  -7.797  -4.918  -3.281
  176   2HG2  VAL  13          2HG2      VAL  13  -7.050  -6.007  -4.487
  177   3HG2  VAL  13          3HG2      VAL  13  -7.979  -4.599  -5.000
  178    H    LYS  14           H        LYS  14  -7.137  -6.805  -1.708
  179    HA   LYS  14           HA       LYS  14  -8.825  -5.710   0.489
  180   1HB   LYS  14          1HB       LYS  14  -6.268  -6.411   1.512
  181   2HB   LYS  14          2HB       LYS  14  -7.864  -6.912   2.014
  182   1HG   LYS  14          1HG       LYS  14  -7.699  -8.729   0.155
  183   2HG   LYS  14          2HG       LYS  14  -6.012  -8.207  -0.042
  184   1HD   LYS  14          1HD       LYS  14  -5.955 -10.086   1.395
  185   2HD   LYS  14          2HD       LYS  14  -5.733  -8.694   2.470
  186   1HE   LYS  14          1HE       LYS  14  -8.174  -8.819   3.077
  187   2HE   LYS  14          2HE       LYS  14  -8.368 -10.170   1.947
  188   1HZ   LYS  14          1HZ       LYS  14  -6.858 -11.424   3.288
  189   2HZ   LYS  14          2HZ       LYS  14  -6.673 -10.164   4.337
  190   3HZ   LYS  14          3HZ       LYS  14  -8.140 -10.898   4.177
  191    H    CYS  15           H        CYS  15  -8.810  -3.649   0.399
  192    HA   CYS  15           HA       CYS  15  -7.279  -2.021  -1.192
  193   1HB   CYS  15          1HB       CYS  15  -9.439  -1.474  -0.137
  194   2HB   CYS  15          2HB       CYS  15  -8.624  -1.324   1.420
  195    H    PHE  16           H        PHE  16  -5.087  -1.557  -1.138
  196    HA   PHE  16           HA       PHE  16  -3.320  -1.894   0.991
  197   1HB   PHE  16          1HB       PHE  16  -3.265   0.211  -1.199
  198   2HB   PHE  16          2HB       PHE  16  -1.907  -0.262  -0.219
  199    HD1  PHE  16           HD1      PHE  16  -3.135  -0.542  -3.386
  200    HD2  PHE  16           HD2      PHE  16  -1.696  -3.120  -0.240
  201    HE1  PHE  16           HE1      PHE  16  -1.950  -1.932  -5.043
  202    HE2  PHE  16           HE2      PHE  16  -0.808  -4.683  -1.948
  203    HZ   PHE  16           HZ       PHE  16  -0.877  -4.041  -4.374
  204    H    ASN  17           H        ASN  17  -5.331   0.916   0.155
  205    HA   ASN  17           HA       ASN  17  -4.125   2.665   2.063
  206   1HB   ASN  17          1HB       ASN  17  -5.130   3.253  -0.148
  207   2HB   ASN  17          2HB       ASN  17  -6.730   2.977   0.547
  208   1HD2  ASN  17          1HD2      ASN  17  -7.122   5.264  -0.108
  209   2HD2  ASN  17          2HD2      ASN  17  -6.622   6.536   0.973
  210    H    CYS  18           H        CYS  18  -6.014   0.084   2.924
  211    HA   CYS  18           HA       CYS  18  -6.528   1.291   5.477
  212   1HB   CYS  18          1HB       CYS  18  -8.937   0.867   5.659
  213   2HB   CYS  18          2HB       CYS  18  -8.526   2.213   4.607
  214    H    GLY  19           H        GLY  19  -7.382  -1.494   3.356
  215   1HA   GLY  19          1HA       GLY  19  -6.479  -3.687   4.035
  216   2HA   GLY  19          2HA       GLY  19  -7.063  -3.365   5.677
  217    H    LYS  20           H        LYS  20  -9.568  -2.065   4.746
  218    HA   LYS  20           HA       LYS  20 -11.197  -4.418   4.678
  219   1HB   LYS  20          1HB       LYS  20 -11.769  -1.462   4.371
  220   2HB   LYS  20          2HB       LYS  20 -13.028  -2.677   4.091
  221   1HG   LYS  20          1HG       LYS  20 -12.631  -3.627   6.336
  222   2HG   LYS  20          2HG       LYS  20 -11.452  -2.342   6.674
  223   1HD   LYS  20          1HD       LYS  20 -13.206  -0.638   6.409
  224   2HD   LYS  20          2HD       LYS  20 -14.373  -1.876   5.902
  225   1HE   LYS  20          1HE       LYS  20 -14.205  -2.972   8.121
  226   2HE   LYS  20          2HE       LYS  20 -13.046  -1.734   8.645
  227   1HZ   LYS  20          1HZ       LYS  20 -15.827  -1.244   7.835
  228   2HZ   LYS  20          2HZ       LYS  20 -15.256  -1.254   9.380
  229   3HZ   LYS  20          3HZ       LYS  20 -14.753  -0.094   8.323
  230    H    GLU  21           H        GLU  21 -12.327  -5.416   3.056
  231    HA   GLU  21           HA       GLU  21 -11.176  -5.118   0.422
  232   1HB   GLU  21          1HB       GLU  21 -13.270  -7.112   1.377
  233   2HB   GLU  21          2HB       GLU  21 -12.218  -7.259  -0.007
  234   1HG   GLU  21          1HG       GLU  21 -10.236  -7.093   1.531
  235   2HG   GLU  21          2HG       GLU  21 -11.339  -7.414   2.880
  236    H    GLY  22           H        GLY  22 -13.231  -6.133  -1.078
  237   1HA   GLY  22          1HA       GLY  22 -14.963  -5.518  -2.442
  238   2HA   GLY  22          2HA       GLY  22 -15.555  -4.453  -1.165
  239    H    HIS  23           H        HIS  23 -12.419  -3.370  -1.664
  240    HA   HIS  23           HA       HIS  23 -12.937  -1.753  -4.025
  241   1HB   HIS  23          1HB       HIS  23 -13.035   0.352  -2.936
  242   2HB   HIS  23          2HB       HIS  23 -14.279  -0.664  -2.225
  243    HD1  HIS  23           HD1      HIS  23 -13.880  -1.518   0.272
  244    HD2  HIS  23           HD2      HIS  23 -11.013   1.154  -1.189
  245    HE1  HIS  23           HE1      HIS  23 -12.549  -0.683   2.262
  246    H    THR  24           H        THR  24 -11.205  -0.156  -4.425
  247    HA   THR  24           HA       THR  24  -8.552  -1.263  -3.659
  248    HB   THR  24           HB       THR  24  -7.961  -0.015  -5.911
  249    HG1  THR  24           HG1      THR  24 -10.678  -0.534  -6.432
  250   1HG2  THR  24          1HG2      THR  24  -8.767  -1.957  -7.235
  251   2HG2  THR  24          2HG2      THR  24  -7.742  -2.372  -5.903
  252   3HG2  THR  24          3HG2      THR  24  -9.493  -2.620  -5.745
  253    H    ALA  25           H        ALA  25  -6.761   0.320  -3.969
  254    HA   ALA  25           HA       ALA  25  -6.786   2.334  -2.063
  255   1HB   ALA  25          1HB       ALA  25  -4.771   1.272  -2.969
  256   2HB   ALA  25          2HB       ALA  25  -5.037   2.043  -4.543
  257   3HB   ALA  25          3HB       ALA  25  -4.662   3.036  -3.118
  258    H    ARG  26           H        ARG  26  -7.469   2.608  -5.573
  259    HA   ARG  26           HA       ARG  26  -7.578   5.445  -5.697
  260   1HB   ARG  26          1HB       ARG  26  -8.448   5.094  -7.904
  261   2HB   ARG  26          2HB       ARG  26  -7.227   3.854  -7.565
  262   1HG   ARG  26          1HG       ARG  26  -9.146   2.298  -6.938
  263   2HG   ARG  26          2HG       ARG  26 -10.242   3.518  -7.599
  264   1HD   ARG  26          1HD       ARG  26  -9.927   1.913  -9.287
  265   2HD   ARG  26          2HD       ARG  26  -8.976   3.330  -9.788
  266    HE   ARG  26           HE       ARG  26  -7.257   1.656  -8.319
  267   1HH1  ARG  26          1HH1      ARG  26  -9.096   1.481 -11.346
  268   2HH1  ARG  26          2HH1      ARG  26  -7.961   0.401 -12.118
  269   1HH2  ARG  26          1HH2      ARG  26  -5.792   0.215  -9.332
  270   2HH2  ARG  26          2HH2      ARG  26  -6.062  -0.299 -10.974
  271    H    ASN  27           H        ASN  27 -10.048   2.937  -5.101
  272    HA   ASN  27           HA       ASN  27 -12.299   4.734  -5.221
  273   1HB   ASN  27          1HB       ASN  27 -12.377   2.300  -5.808
  274   2HB   ASN  27          2HB       ASN  27 -12.021   1.919  -4.132
  275   1HD2  ASN  27          1HD2      ASN  27 -14.506   2.904  -6.406
  276   2HD2  ASN  27          2HD2      ASN  27 -15.832   2.914  -5.265
  277    H    CYS  28           H        CYS  28 -10.183   3.446  -2.719
  278    HA   CYS  28           HA       CYS  28 -11.705   3.601  -0.464
  279   1HB   CYS  28          1HB       CYS  28  -9.407   2.716  -0.727
  280   2HB   CYS  28          2HB       CYS  28  -8.781   4.348  -0.615
  281    H    ARG  29           H        ARG  29 -12.735   5.124   0.593
  282    HA   ARG  29           HA       ARG  29 -12.219   7.985   0.163
  283   1HB   ARG  29          1HB       ARG  29 -14.276   6.469   1.823
  284   2HB   ARG  29          2HB       ARG  29 -14.261   8.223   1.554
  285   1HG   ARG  29          1HG       ARG  29 -14.583   7.918  -0.850
  286   2HG   ARG  29          2HG       ARG  29 -14.447   6.158  -0.694
  287   1HD   ARG  29          1HD       ARG  29 -16.426   6.111   0.757
  288   2HD   ARG  29          2HD       ARG  29 -16.655   7.855   0.509
  289    HE   ARG  29           HE       ARG  29 -16.615   7.160  -2.017
  290   1HH1  ARG  29          1HH1      ARG  29 -18.305   5.409   0.591
  291   2HH1  ARG  29          2HH1      ARG  29 -19.433   4.656  -0.504
  292   1HH2  ARG  29          1HH2      ARG  29 -18.109   6.171  -3.405
  293   2HH2  ARG  29          2HH2      ARG  29 -19.324   5.086  -2.773
  294    H    ALA  30           H        ALA  30  -9.959   7.318   1.050
  295    HA   ALA  30           HA       ALA  30  -9.819   8.379   3.750
  296   1HB   ALA  30          1HB       ALA  30  -9.881   5.913   4.149
  297   2HB   ALA  30          2HB       ALA  30  -8.447   5.737   3.105
  298   3HB   ALA  30          3HB       ALA  30  -8.337   6.635   4.624
  299    HA   PRO  31           HA       PRO  31  -6.389  10.484   1.963
  300   1HB   PRO  31          1HB       PRO  31  -4.752   9.807   4.410
  301   2HB   PRO  31          2HB       PRO  31  -5.025  11.397   3.648
  302   1HG   PRO  31          1HG       PRO  31  -6.364  10.718   5.906
  303   2HG   PRO  31          2HG       PRO  31  -7.239  11.513   4.563
  304   1HD   PRO  31          1HD       PRO  31  -7.122   8.546   5.192
  305   2HD   PRO  31          2HD       PRO  31  -8.539   9.560   4.871
  306    H    ARG  32           H        ARG  32  -5.133   9.691   0.329
  307    HA   ARG  32           HA       ARG  32  -4.036   6.978   0.545
  308   1HB   ARG  32          1HB       ARG  32  -3.748   6.971  -1.763
  309   2HB   ARG  32          2HB       ARG  32  -5.352   7.609  -1.430
  310   1HG   ARG  32          1HG       ARG  32  -2.894   9.229  -2.276
  311   2HG   ARG  32          2HG       ARG  32  -4.236   8.717  -3.301
  312   1HD   ARG  32          1HD       ARG  32  -5.773  10.052  -1.689
  313   2HD   ARG  32          2HD       ARG  32  -4.270  10.770  -1.081
  314    HE   ARG  32           HE       ARG  32  -3.969  11.954  -3.009
  315   1HH1  ARG  32          1HH1      ARG  32  -6.664   9.662  -3.568
  316   2HH1  ARG  32          2HH1      ARG  32  -7.247  10.580  -4.949
  317   1HH2  ARG  32          1HH2      ARG  32  -4.794  13.059  -4.852
  318   2HH2  ARG  32          2HH2      ARG  32  -6.231  12.428  -5.644
  319    H    LYS  33           H        LYS  33  -1.891   6.448  -0.080
  320    HA   LYS  33           HA       LYS  33   0.040   8.207   1.245
  321   1HB   LYS  33          1HB       LYS  33   0.134   5.323   0.280
  322   2HB   LYS  33          2HB       LYS  33   1.423   6.150   1.146
  323   1HG   LYS  33          1HG       LYS  33   0.442   5.060   2.866
  324   2HG   LYS  33          2HG       LYS  33  -0.354   6.634   2.982
  325   1HD   LYS  33          1HD       LYS  33  -2.330   5.496   1.685
  326   2HD   LYS  33          2HD       LYS  33  -1.432   3.994   1.892
  327   1HE   LYS  33          1HE       LYS  33  -2.966   4.029   3.679
  328   2HE   LYS  33          2HE       LYS  33  -1.436   4.516   4.418
  329   1HZ   LYS  33          1HZ       LYS  33  -3.607   6.308   3.537
  330   2HZ   LYS  33          2HZ       LYS  33  -3.256   5.905   5.094
  331   3HZ   LYS  33          3HZ       LYS  33  -2.190   6.804   4.218
  332    H    LYS  34           H        LYS  34   2.343   7.880   0.304
  333    HA   LYS  34           HA       LYS  34   2.431   8.282  -2.658
  334   1HB   LYS  34          1HB       LYS  34   3.989   9.781  -0.502
  335   2HB   LYS  34          2HB       LYS  34   4.279   9.876  -2.249
  336   1HG   LYS  34          1HG       LYS  34   1.979  10.761  -2.578
  337   2HG   LYS  34          2HG       LYS  34   1.711  10.704  -0.821
  338   1HD   LYS  34          1HD       LYS  34   3.642  12.234  -0.480
  339   2HD   LYS  34          2HD       LYS  34   3.881  12.316  -2.239
  340   1HE   LYS  34          1HE       LYS  34   1.602  13.275  -2.499
  341   2HE   LYS  34          2HE       LYS  34   1.365  13.192  -0.742
  342   1HZ   LYS  34          1HZ       LYS  34   3.420  14.776  -2.119
  343   2HZ   LYS  34          2HZ       LYS  34   2.036  15.363  -1.443
  344   3HZ   LYS  34          3HZ       LYS  34   3.202  14.698  -0.487
  345    H    GLY  35           H        GLY  35   4.426   7.710   0.279
  346   1HA   GLY  35          1HA       GLY  35   6.487   6.242  -1.075
  347   2HA   GLY  35          2HA       GLY  35   6.226   6.412   0.673
  348    H    CYS  36           H        CYS  36   7.072   4.096   0.451
  349    HA   CYS  36           HA       CYS  36   5.634   2.062  -0.788
  350   1HB   CYS  36          1HB       CYS  36   7.957   1.930   0.183
  351   2HB   CYS  36          2HB       CYS  36   7.208   1.766   1.773
  352    H    TRP  37           H        TRP  37   3.695   0.976  -0.323
  353    HA   TRP  37           HA       TRP  37   2.115   1.670   1.929
  354   1HB   TRP  37          1HB       TRP  37   2.156  -0.270  -0.389
  355   2HB   TRP  37          2HB       TRP  37   1.050  -0.559   0.895
  356    HD1  TRP  37           HD1      TRP  37   0.299   2.550   1.216
  357    HE1  TRP  37           HE1      TRP  37  -1.264   3.691  -0.523
  358    HE3  TRP  37           HE3      TRP  37   0.955  -0.682  -2.644
  359    HZ2  TRP  37           HZ2      TRP  37  -2.139   3.171  -3.192
  360    HZ3  TRP  37           HZ3      TRP  37  -0.105  -0.253  -4.838
  361    HH2  TRP  37           HH2      TRP  37  -1.726   1.592  -5.108
  362    H    LYS  38           H        LYS  38   4.031  -1.232   1.081
  363    HA   LYS  38           HA       LYS  38   3.278  -2.731   3.360
  364   1HB   LYS  38          1HB       LYS  38   5.330  -2.947   1.178
  365   2HB   LYS  38          2HB       LYS  38   5.641  -3.881   2.639
  366   1HG   LYS  38          1HG       LYS  38   3.406  -4.875   2.547
  367   2HG   LYS  38          2HG       LYS  38   3.077  -4.010   1.031
  368   1HD   LYS  38          1HD       LYS  38   4.946  -5.212  -0.058
  369   2HD   LYS  38          2HD       LYS  38   5.370  -5.983   1.485
  370   1HE   LYS  38          1HE       LYS  38   3.104  -7.065   1.519
  371   2HE   LYS  38          2HE       LYS  38   2.775  -6.356  -0.074
  372   1HZ   LYS  38          1HZ       LYS  38   4.675  -7.575  -0.907
  373   2HZ   LYS  38          2HZ       LYS  38   4.926  -8.260   0.572
  374   3HZ   LYS  38          3HZ       LYS  38   3.548  -8.589  -0.264
  375    H    CYS  39           H        CYS  39   6.557  -1.481   2.792
  376    HA   CYS  39           HA       CYS  39   7.194  -1.796   5.609
  377   1HB   CYS  39          1HB       CYS  39   9.389  -1.082   5.172
  378   2HB   CYS  39          2HB       CYS  39   8.939  -2.154   3.860
  379    H    GLY  40           H        GLY  40   6.141   0.989   3.661
  380   1HA   GLY  40          1HA       GLY  40   5.112   2.847   4.761
  381   2HA   GLY  40          2HA       GLY  40   6.188   2.668   6.135
  382    H    LYS  41           H        LYS  41   8.653   2.309   4.647
  383    HA   LYS  41           HA       LYS  41   9.478   4.980   4.575
  384   1HB   LYS  41          1HB       LYS  41  10.848   2.604   3.278
  385   2HB   LYS  41          2HB       LYS  41  11.584   4.169   3.672
  386   1HG   LYS  41          1HG       LYS  41  10.885   3.721   6.101
  387   2HG   LYS  41          2HG       LYS  41  10.519   2.068   5.573
  388   1HD   LYS  41          1HD       LYS  41  12.932   2.028   4.627
  389   2HD   LYS  41          2HD       LYS  41  13.211   3.500   5.558
  390   1HE   LYS  41          1HE       LYS  41  12.329   0.785   6.657
  391   2HE   LYS  41          2HE       LYS  41  13.958   1.469   6.764
  392   1HZ   LYS  41          1HZ       LYS  41  13.061   3.253   8.079
  393   2HZ   LYS  41          2HZ       LYS  41  11.547   2.602   7.998
  394   3HZ   LYS  41          3HZ       LYS  41  12.750   1.791   8.777
  395    H    GLU  42           H        GLU  42  10.001   6.404   3.006
  396    HA   GLU  42           HA       GLU  42   8.532   6.078   0.439
  397   1HB   GLU  42          1HB       GLU  42   8.392   8.472   0.351
  398   2HB   GLU  42          2HB       GLU  42   7.812   7.897   1.904
  399   1HG   GLU  42          1HG       GLU  42   9.943   8.547   2.981
  400   2HG   GLU  42          2HG       GLU  42  10.576   9.090   1.417
  401    H    GLY  43           H        GLY  43   9.622   7.884  -1.148
  402   1HA   GLY  43          1HA       GLY  43  11.494   8.422  -2.454
  403   2HA   GLY  43          2HA       GLY  43  12.513   7.316  -1.517
  404    H    HIS  44           H        HIS  44  10.818   5.091  -1.517
  405    HA   HIS  44           HA       HIS  44  10.586   4.215  -4.356
  406   1HB   HIS  44          1HB       HIS  44  11.244   2.007  -3.616
  407   2HB   HIS  44          2HB       HIS  44  12.495   3.162  -3.160
  408    HD1  HIS  44           HD1      HIS  44  13.024   3.382  -0.612
  409    HD2  HIS  44           HD2      HIS  44   9.678   1.024  -1.451
  410    HE1  HIS  44           HE1      HIS  44  12.373   2.186   1.551
  411    H    GLN  45           H        GLN  45   8.785   2.834  -4.784
  412    HA   GLN  45           HA       GLN  45   6.517   3.003  -2.831
  413   1HB   GLN  45          1HB       GLN  45   6.696   2.599  -5.832
  414   2HB   GLN  45          2HB       GLN  45   5.229   2.260  -4.909
  415   1HG   GLN  45          1HG       GLN  45   5.052   4.518  -4.121
  416   2HG   GLN  45          2HG       GLN  45   6.662   4.935  -4.726
  417   1HE2  GLN  45          1HE2      GLN  45   3.990   3.137  -6.400
  418   2HE2  GLN  45          2HE2      GLN  45   3.876   4.301  -7.712
  419    H    MET  46           H        MET  46   5.062   0.949  -3.047
  420    HA   MET  46           HA       MET  46   6.577  -1.204  -1.943
  421   1HB   MET  46          1HB       MET  46   4.407  -0.728  -1.181
  422   2HB   MET  46          2HB       MET  46   3.670  -0.942  -2.752
  423   1HG   MET  46          1HG       MET  46   5.198  -3.126  -1.272
  424   2HG   MET  46          2HG       MET  46   3.485  -2.822  -0.990
  425   1HE   MET  46          1HE       MET  46   1.593  -3.153  -2.653
  426   2HE   MET  46          2HE       MET  46   2.316  -2.308  -4.045
  427   3HE   MET  46          3HE       MET  46   1.733  -3.973  -4.225
  428    H    LYS  47           H        LYS  47   5.100  -0.866  -5.134
  429    HA   LYS  47           HA       LYS  47   5.843  -3.334  -6.230
  430   1HB   LYS  47          1HB       LYS  47   5.926  -0.604  -7.552
  431   2HB   LYS  47          2HB       LYS  47   5.843  -2.144  -8.405
  432   1HG   LYS  47          1HG       LYS  47   3.702  -0.902  -6.615
  433   2HG   LYS  47          2HG       LYS  47   3.644  -1.091  -8.353
  434   1HD   LYS  47          1HD       LYS  47   3.558  -3.306  -6.255
  435   2HD   LYS  47          2HD       LYS  47   2.231  -2.751  -7.266
  436   1HE   LYS  47          1HE       LYS  47   4.746  -4.181  -8.259
  437   2HE   LYS  47          2HE       LYS  47   3.138  -4.884  -8.067
  438   1HZ   LYS  47          1HZ       LYS  47   3.777  -2.679  -9.893
  439   2HZ   LYS  47          2HZ       LYS  47   3.567  -4.259 -10.321
  440   3HZ   LYS  47          3HZ       LYS  47   2.308  -3.403  -9.690
  441    H    ASP  48           H        ASP  48   7.813  -0.372  -5.877
  442    HA   ASP  48           HA       ASP  48  10.159  -1.336  -7.192
  443   1HB   ASP  48          1HB       ASP  48   9.887   0.824  -5.074
  444   2HB   ASP  48          2HB       ASP  48  11.186   0.659  -6.223
  445    H    CYS  49           H        CYS  49   9.202  -1.009  -3.819
  446    HA   CYS  49           HA       CYS  49  11.366  -1.323  -2.358
  447   1HB   CYS  49          1HB       CYS  49   8.931  -1.031  -1.654
  448   2HB   CYS  49          2HB       CYS  49   8.845  -2.785  -1.588
  449    H    THR  50           H        THR  50  12.671  -2.787  -1.485
  450    HA   THR  50           HA       THR  50  12.473  -5.673  -2.247
  451    HB   THR  50           HB       THR  50  14.921  -5.665  -2.397
  452    HG1  THR  50           HG1      THR  50  14.731  -2.849  -2.104
  453   1HG2  THR  50          1HG2      THR  50  13.753  -3.436  -4.119
  454   2HG2  THR  50          2HG2      THR  50  15.161  -4.452  -4.476
  455   3HG2  THR  50          3HG2      THR  50  13.535  -5.173  -4.426
  456    H    GLU  51           H        GLU  51  12.310  -3.541   0.323
  457    HA   GLU  51           HA       GLU  51  14.026  -4.395   2.276
  458   1HB   GLU  51          1HB       GLU  51  11.162  -3.416   2.528
  459   2HB   GLU  51          2HB       GLU  51  12.267  -3.638   3.885
  460   1HG   GLU  51          1HG       GLU  51  13.887  -2.089   2.707
  461   2HG   GLU  51          2HG       GLU  51  12.668  -1.771   1.506
  462    H    ARG  52           H        ARG  52  10.631  -5.353   2.487
  463    HA   ARG  52           HA       ARG  52  11.266  -8.233   2.637
  464   1HB   ARG  52          1HB       ARG  52   9.887  -6.776   4.911
  465   2HB   ARG  52          2HB       ARG  52   9.893  -8.531   4.668
  466   1HG   ARG  52          1HG       ARG  52  12.473  -8.369   4.684
  467   2HG   ARG  52          2HG       ARG  52  12.242  -6.759   5.394
  468   1HD   ARG  52          1HD       ARG  52  11.243  -9.437   6.462
  469   2HD   ARG  52          2HD       ARG  52  12.571  -8.468   7.129
  470    HE   ARG  52           HE       ARG  52  10.336  -6.797   7.134
  471   1HH1  ARG  52          1HH1      ARG  52  11.245  -9.874   8.650
  472   2HH1  ARG  52          2HH1      ARG  52  10.215  -9.640  10.039
  473   1HH2  ARG  52          1HH2      ARG  52   8.988  -6.501   8.959
  474   2HH2  ARG  52          2HH2      ARG  52   8.928  -7.708  10.216
  475    H    GLN  53           H        GLN  53  10.256  -7.952   0.546
  476    HA   GLN  53           HA       GLN  53   7.405  -7.348   0.397
  477   1HB   GLN  53          1HB       GLN  53   9.307  -8.596  -1.594
  478   2HB   GLN  53          2HB       GLN  53   7.602  -8.223  -1.903
  479   1HG   GLN  53          1HG       GLN  53   9.758  -6.205  -1.142
  480   2HG   GLN  53          2HG       GLN  53   9.012  -6.445  -2.727
  481   1HE2  GLN  53          1HE2      GLN  53   8.651  -4.954   0.406
  482   2HE2  GLN  53          2HE2      GLN  53   7.107  -4.177   0.087
  483    H    ALA  54           H        ALA  54   9.457 -10.260   0.613
  484    HA   ALA  54           HA       ALA  54   7.227 -12.133   0.564
  485   1HB   ALA  54          1HB       ALA  54  10.137 -12.430   1.431
  486   2HB   ALA  54          2HB       ALA  54   8.962 -13.753   1.258
  487   3HB   ALA  54          3HB       ALA  54   9.461 -12.815  -0.166
  488    H    ASN  55           H        ASN  55   5.741 -11.779   2.178
  489    HA   ASN  55           HA       ASN  55   6.611 -11.829   4.998
  490   1HB   ASN  55          1HB       ASN  55   5.050  -9.901   5.442
  491   2HB   ASN  55          2HB       ASN  55   6.560  -9.506   4.617
  492   1HD2  ASN  55          1HD2      ASN  55   3.408 -10.754   3.293
  493   2HD2  ASN  55          2HD2      ASN  55   3.146  -9.383   2.238
  Start of MODEL    6
    1   1H5*    G 101          1H5*        G 101 -20.507   0.315  -3.916
    2   2H5*    G 101          2H5*        G 101 -22.008   0.726  -3.059
    3    H4*    G 101           H4*        G 101 -23.009  -0.373  -4.764
    4    H3*    G 101           H3*        G 101 -22.817  -2.207  -2.737
    5    H1*    G 101           H1*        G 101 -20.604  -3.130  -6.084
    6    H8     G 101           H8         G 101 -19.248  -2.731  -2.616
    7    H1     G 101           H1         G 101 -15.294  -0.230  -6.993
    8   1H2     G 101          1H2         G 101 -16.331  -0.044  -8.972
    9   2H2     G 101          2H2         G 101 -17.979  -0.585  -9.208
   10    H5T    G 101           H5T        G 101 -21.637  -0.997  -1.702
   11   1H2*    G 101          1H2*        G 101 -21.071  -3.628  -3.333
   12   2H2*    G 101          2H2*        G 101 -22.046  -4.084  -4.736
   13   1H5*    T 102          1H5*        T 102 -25.396  -5.879  -5.486
   14   2H5*    T 102          2H5*        T 102 -25.895  -6.433  -3.880
   15    H4*    T 102           H4*        T 102 -24.869  -8.344  -4.464
   16    H3*    T 102           H3*        T 102 -22.984  -6.916  -2.940
   17   1H2*    T 102          1H2*        T 102 -22.022  -6.131  -4.949
   18   2H2*    T 102          2H2*        T 102 -20.868  -7.383  -4.625
   19    H1*    T 102           H1*        T 102 -22.303  -9.010  -5.854
   20    H3     T 102           H3         T 102 -20.460  -8.754 -10.057
   21   1H5M    T 102          1H5M        T 102 -20.960  -3.713  -8.337
   22   2H5M    T 102          2H5M        T 102 -22.346  -4.035  -9.396
   23   3H5M    T 102          3H5M        T 102 -20.701  -4.070 -10.057
   24    H6     T 102           H6         T 102 -22.009  -5.491  -6.905
   25   1H5*    C 103          1H5*        C 103 -20.972 -10.652  -4.701
   26   2H5*    C 103          2H5*        C 103 -19.841 -11.357  -3.530
   27    H4*    C 103           H4*        C 103 -18.800 -11.050  -5.710
   28    H3*    C 103           H3*        C 103 -17.689  -9.710  -3.308
   29    H1*    C 103           H1*        C 103 -17.501  -9.440  -6.973
   30   1H4     C 103          1H4         C 103 -17.746  -3.936 -10.273
   31   2H4     C 103          2H4         C 103 -18.410  -3.057  -8.909
   32    H5     C 103           H5         C 103 -18.851  -4.139  -6.729
   33    H6     C 103           H6         C 103 -18.870  -6.189  -5.532
   34   1H2*    C 103          1H2*        C 103 -17.460  -7.730  -4.465
   35   2H2*    C 103          2H2*        C 103 -16.069  -8.478  -5.253
   36   1H5*    C 104          1H5*        C 104 -15.299 -11.434  -7.183
   37   2H5*    C 104          2H5*        C 104 -13.994 -12.347  -6.396
   38    H4*    C 104           H4*        C 104 -13.102 -11.446  -8.456
   39    H3*    C 104           H3*        C 104 -11.950 -11.055  -5.964
   40    H1*    C 104           H1*        C 104 -12.040  -8.558  -8.628
   41   1H4     C 104          1H4         C 104 -15.368  -3.054  -8.659
   42   2H4     C 104          2H4         C 104 -16.033  -3.356  -7.060
   43    H5     C 104           H5         C 104 -15.561  -5.507  -5.804
   44    H6     C 104           H6         C 104 -14.234  -7.499  -5.862
   45   1H2*    C 104          1H2*        C 104 -12.764  -8.875  -5.690
   46   2H2*    C 104          2H2*        C 104 -11.247  -8.414  -6.370
   47   1H5*    C 105          1H5*        C 105  -9.068  -9.296  -9.581
   48   2H5*    C 105          2H5*        C 105  -7.432  -9.594  -8.962
   49    H4*    C 105           H4*        C 105  -7.494  -7.466 -10.132
   50    H3*    C 105           H3*        C 105  -6.489  -7.716  -7.485
   51    H1*    C 105           H1*        C 105  -8.229  -4.873  -8.959
   52   1H4     C 105          1H4         C 105 -13.401  -1.928  -6.650
   53   2H4     C 105          2H4         C 105 -13.564  -3.111  -5.355
   54    H5     C 105           H5         C 105 -12.284  -5.216  -5.365
   55    H6     C 105           H6         C 105 -10.506  -6.405  -6.432
   56   1H2*    C 105          1H2*        C 105  -8.394  -6.744  -6.563
   57   2H2*    C 105          2H2*        C 105  -7.359  -5.289  -6.729
   58   1H5*    T 106          1H5*        T 106  -5.121  -4.113 -10.379
   59   2H5*    T 106          2H5*        T 106  -3.497  -4.269 -11.081
   60    H4*    T 106           H4*        T 106  -3.912  -2.006 -10.143
   61    H3*    T 106           H3*        T 106  -1.763  -3.743  -9.060
   62   1H2*    T 106          1H2*        T 106  -1.430  -2.385  -7.030
   63   2H2*    T 106          2H2*        T 106  -2.255  -1.029  -7.785
   64    H1*    T 106           H1*        T 106  -4.033  -1.686  -6.572
   65    H3     T 106           H3         T 106  -2.383  -6.617  -5.496
   66   1H5M    T 106          1H5M        T 106  -6.980  -5.141  -4.098
   67   2H5M    T 106          2H5M        T 106  -5.924  -5.423  -2.694
   68   3H5M    T 106          3H5M        T 106  -6.292  -3.762  -3.196
   69    H6     T 106           H6         T 106  -5.479  -2.953  -5.358
   70   1H5*    G 107          1H5*        G 107  -1.405   0.642 -10.201
   71   2H5*    G 107          2H5*        G 107   0.166   0.959 -10.961
   72    H4*    G 107           H4*        G 107  -1.012   2.838  -9.632
   73    H3*    G 107           H3*        G 107   1.902   2.194  -9.066
   74    H1*    G 107           H1*        G 107  -0.691   3.618  -6.629
   75    H8     G 107           H8         G 107   1.573   0.573  -6.943
   76    H1     G 107           H1         G 107   2.917   4.256  -1.858
   77   1H2     G 107          1H2         G 107   1.905   6.241  -2.114
   78   2H2     G 107          2H2         G 107   0.797   6.574  -3.423
   79   1H2*    G 107          1H2*        G 107   1.776   4.234  -7.700
   80   2H2*    G 107          2H2*        G 107   0.224   4.647  -8.447
   81   1H5*    T 108          1H5*        T 108   0.811   6.429 -12.497
   82   2H5*    T 108          2H5*        T 108   1.854   7.609 -11.684
   83    H4*    T 108           H4*        T 108  -0.306   8.579 -12.023
   84    H3*    T 108           H3*        T 108   0.696   8.511  -9.406
   85   1H2*    T 108          1H2*        T 108  -0.622   6.590  -8.854
   86   2H2*    T 108          2H2*        T 108  -1.662   7.911  -8.254
   87    H1*    T 108           H1*        T 108  -2.784   8.082 -10.272
   88    H3     T 108           H3         T 108  -6.063   5.107 -11.295
   89   1H5M    T 108          1H5M        T 108  -2.797   2.958  -7.547
   90   2H5M    T 108          2H5M        T 108  -4.453   2.404  -7.803
   91   3H5M    T 108          3H5M        T 108  -3.175   1.878  -8.908
   92    H6     T 108           H6         T 108  -2.035   4.901  -8.681
   93   1H5*    T 109          1H5*        T 109  -3.434  10.643 -10.674
   94   2H5*    T 109          2H5*        T 109  -3.862  11.999  -9.617
   95    H4*    T 109           H4*        T 109  -5.767  10.577 -10.482
   96    H3*    T 109           H3*        T 109  -5.750  11.810  -7.999
   97   1H2*    T 109          1H2*        T 109  -4.678   9.931  -7.043
   98   2H2*    T 109          2H2*        T 109  -6.289   9.600  -6.497
   99    H1*    T 109           H1*        T 109  -6.874   8.399  -8.547
  100    H3     T 109           H3         T 109  -6.177   4.250  -6.804
  101   1H5M    T 109          1H5M        T 109  -1.532   6.482  -6.670
  102   2H5M    T 109          2H5M        T 109  -2.085   7.150  -5.114
  103   3H5M    T 109          3H5M        T 109  -1.898   5.392  -5.310
  104    H6     T 109           H6         T 109  -3.522   8.226  -7.054
  105   1H5*    C 110          1H5*        C 110  -8.723   8.889  -9.942
  106   2H5*    C 110          2H5*        C 110 -10.220   9.805  -9.863
  107    H4*    C 110           H4*        C 110  -9.838   6.959 -10.050
  108    H3*    C 110           H3*        C 110 -12.262   8.784  -9.871
  109    H1*    C 110           H1*        C 110 -11.304   5.235  -9.000
  110   1H4     C 110          1H4         C 110 -15.983   5.038  -4.326
  111   2H4     C 110          2H4         C 110 -16.482   3.788  -5.445
  112    H5     C 110           H5         C 110 -15.365   3.447  -7.634
  113    H6     C 110           H6         C 110 -13.512   4.192  -9.026
  114   1H2*    C 110          1H2*        C 110 -13.592   6.959  -9.713
  115   2H2*    C 110          2H2*        C 110 -12.544   5.888 -10.682
  116   1H5*    G 111          1H5*        G 111 -11.150   5.935 -13.452
  117   2H5*    G 111          2H5*        G 111 -12.096   6.384 -14.885
  118    H4*    G 111           H4*        G 111 -11.981   3.999 -14.765
  119    H3*    G 111           H3*        G 111 -14.535   5.351 -14.761
  120    H1*    G 111           H1*        G 111 -13.485   2.145 -13.524
  121    H8     G 111           H8         G 111 -15.612   3.247 -10.742
  122    H1     G 111           H1         G 111 -11.873  -1.758  -9.218
  123   1H2     G 111          1H2         G 111 -10.221  -1.941 -10.768
  124   2H2     G 111          2H2         G 111 -10.105  -0.857 -12.145
  125   1H2*    G 111          1H2*        G 111 -14.835   4.658 -12.462
  126   2H2*    G 111          2H2*        G 111 -15.686   3.335 -13.314
  127   1H5*    G 112          1H5*        G 112 -11.290   2.615 -16.276
  128   2H5*    G 112          2H5*        G 112 -11.248   2.323 -18.017
  129    H4*    G 112           H4*        G 112 -10.243   0.457 -16.842
  130    H3*    G 112           H3*        G 112 -12.422   0.062 -18.624
  131    H1*    G 112           H1*        G 112 -11.668  -1.839 -15.505
  132    H8     G 112           H8         G 112 -14.802   0.392 -14.780
  133    H1     G 112           H1         G 112 -13.585  -4.160 -10.403
  134   1H2     G 112          1H2         G 112 -11.781  -5.362 -11.066
  135   2H2     G 112          2H2         G 112 -10.872  -4.932 -12.502
  136   1H2*    G 112          1H2*        G 112 -13.950  -0.409 -16.890
  137   2H2*    G 112          2H2*        G 112 -13.367  -2.063 -17.199
  138   1H5*    G 113          1H5*        G 113  -9.938  -3.648 -16.813
  139   2H5*    G 113          2H5*        G 113  -9.654  -4.745 -18.178
  140    H4*    G 113           H4*        G 113  -9.935  -6.047 -16.164
  141    H3*    G 113           H3*        G 113 -11.469  -6.496 -18.499
  142    H1*    G 113           H1*        G 113 -12.542  -6.934 -14.974
  143    H8     G 113           H8         G 113 -14.427  -3.842 -16.371
  144    H1     G 113           H1         G 113 -16.725  -6.102 -10.824
  145   1H2     G 113          1H2         G 113 -15.632  -7.976 -10.258
  146   2H2     G 113          2H2         G 113 -14.228  -8.522 -11.154
  147   1H2*    G 113          1H2*        G 113 -13.437  -5.553 -17.529
  148   2H2*    G 113          2H2*        G 113 -13.688  -7.243 -17.103
  149   1H5*    C 114          1H5*        C 114 -11.844  -9.950 -14.918
  150   2H5*    C 114          2H5*        C 114 -12.134 -11.461 -15.810
  151    H4*    C 114           H4*        C 114 -13.587 -11.379 -13.847
  152    H3*    C 114           H3*        C 114 -15.072 -10.965 -16.485
  153    H1*    C 114           H1*        C 114 -15.932  -9.751 -12.936
  154   1H4     C 114          1H4         C 114 -19.033  -4.801 -15.585
  155   2H4     C 114          2H4         C 114 -17.997  -4.830 -16.995
  156    H5     C 114           H5         C 114 -16.282  -6.593 -17.350
  157    H6     C 114           H6         C 114 -15.304  -8.574 -16.398
  158    H3T    C 114           H3T        C 114 -15.546 -13.167 -16.079
  159   2H2*    C 114          2H2*        C 114 -16.282 -11.780 -13.840
  160   1H2*    C 114          1H2*        C 114 -17.083 -10.981 -15.221
  161   1H    ASN  12          1H        ASN  12 -11.655 -12.496  -3.083
  162   2H    ASN  12          2H        ASN  12 -11.828 -11.424  -4.368
  163   3H    ASN  12          3H        ASN  12 -10.303 -11.730  -3.727
  164    HA   ASN  12           HA       ASN  12 -12.153  -9.799  -3.029
  165   1HB   ASN  12          1HB       ASN  12 -12.353 -10.105  -0.627
  166   2HB   ASN  12          2HB       ASN  12 -13.062 -11.493  -1.462
  167   1HD2  ASN  12          1HD2      ASN  12 -11.297 -10.793   1.253
  168   2HD2  ASN  12          2HD2      ASN  12 -10.323 -12.239   1.333
  169    H    VAL  13           H        VAL  13 -11.175  -8.151  -1.716
  170    HA   VAL  13           HA       VAL  13  -8.184  -8.121  -1.857
  171    HB   VAL  13           HB       VAL  13  -8.497  -5.682  -2.320
  172   1HG1  VAL  13          1HG1      VAL  13  -8.115  -7.266  -4.165
  173   2HG1  VAL  13          2HG1      VAL  13  -9.874  -7.465  -4.358
  174   3HG1  VAL  13          3HG1      VAL  13  -9.121  -5.878  -4.622
  175   1HG2  VAL  13          1HG2      VAL  13 -10.766  -5.358  -1.383
  176   2HG2  VAL  13          2HG2      VAL  13 -10.649  -4.813  -3.062
  177   3HG2  VAL  13          3HG2      VAL  13 -11.453  -6.340  -2.698
  178    H    LYS  14           H        LYS  14  -7.306  -6.330  -0.508
  179    HA   LYS  14           HA       LYS  14  -8.779  -5.463   1.865
  180   1HB   LYS  14          1HB       LYS  14  -6.770  -6.008   3.278
  181   2HB   LYS  14          2HB       LYS  14  -7.892  -7.306   2.884
  182   1HG   LYS  14          1HG       LYS  14  -6.347  -8.105   1.101
  183   2HG   LYS  14          2HG       LYS  14  -5.161  -6.895   1.635
  184   1HD   LYS  14          1HD       LYS  14  -6.333  -9.187   3.280
  185   2HD   LYS  14          2HD       LYS  14  -4.715  -9.132   2.560
  186   1HE   LYS  14          1HE       LYS  14  -4.185  -7.135   3.995
  187   2HE   LYS  14          2HE       LYS  14  -5.761  -7.327   4.792
  188   1HZ   LYS  14          1HZ       LYS  14  -3.626  -9.329   4.757
  189   2HZ   LYS  14          2HZ       LYS  14  -4.038  -8.361   6.027
  190   3HZ   LYS  14          3HZ       LYS  14  -5.099  -9.497   5.480
  191    H    CYS  15           H        CYS  15  -8.797  -3.497   1.073
  192    HA   CYS  15           HA       CYS  15  -7.286  -2.108  -0.620
  193   1HB   CYS  15          1HB       CYS  15  -9.384  -1.374   0.411
  194   2HB   CYS  15          2HB       CYS  15  -8.550  -1.112   1.941
  195    H    PHE  16           H        PHE  16  -5.210  -1.323  -0.793
  196    HA   PHE  16           HA       PHE  16  -3.230  -1.481   1.217
  197   1HB   PHE  16          1HB       PHE  16  -3.488   0.354  -1.193
  198   2HB   PHE  16          2HB       PHE  16  -2.034   0.180  -0.273
  199    HD1  PHE  16           HD1      PHE  16  -3.622  -0.882  -3.185
  200    HD2  PHE  16           HD2      PHE  16  -1.226  -2.416   0.056
  201    HE1  PHE  16           HE1      PHE  16  -2.403  -2.327  -4.747
  202    HE2  PHE  16           HE2      PHE  16  -0.215  -4.072  -1.491
  203    HZ   PHE  16           HZ       PHE  16  -0.771  -3.982  -3.940
  204    H    ASN  17           H        ASN  17  -5.301   1.204   0.139
  205    HA   ASN  17           HA       ASN  17  -4.097   3.128   1.868
  206   1HB   ASN  17          1HB       ASN  17  -5.016   3.513  -0.427
  207   2HB   ASN  17          2HB       ASN  17  -6.642   3.308   0.222
  208   1HD2  ASN  17          1HD2      ASN  17  -7.218   5.476  -0.359
  209   2HD2  ASN  17          2HD2      ASN  17  -6.574   6.869   0.477
  210    H    CYS  18           H        CYS  18  -6.257   0.734   2.875
  211    HA   CYS  18           HA       CYS  18  -6.721   2.308   5.272
  212   1HB   CYS  18          1HB       CYS  18  -9.039   2.273   5.442
  213   2HB   CYS  18          2HB       CYS  18  -8.640   3.090   3.945
  214    H    GLY  19           H        GLY  19  -7.064  -0.789   3.558
  215   1HA   GLY  19          1HA       GLY  19  -6.336  -2.802   4.624
  216   2HA   GLY  19          2HA       GLY  19  -6.982  -2.239   6.171
  217    H    LYS  20           H        LYS  20  -9.535  -1.301   5.214
  218    HA   LYS  20           HA       LYS  20 -10.963  -3.709   5.476
  219   1HB   LYS  20          1HB       LYS  20 -11.736  -0.871   4.915
  220   2HB   LYS  20          2HB       LYS  20 -12.911  -2.143   4.561
  221   1HG   LYS  20          1HG       LYS  20 -13.254  -1.344   6.795
  222   2HG   LYS  20          2HG       LYS  20 -12.788  -3.046   6.795
  223   1HD   LYS  20          1HD       LYS  20 -10.444  -2.376   7.414
  224   2HD   LYS  20          2HD       LYS  20 -10.972  -0.687   7.499
  225   1HE   LYS  20          1HE       LYS  20 -12.051  -3.018   9.171
  226   2HE   LYS  20          2HE       LYS  20 -10.859  -1.828   9.717
  227   1HZ   LYS  20          1HZ       LYS  20 -12.503  -0.121   9.413
  228   2HZ   LYS  20          2HZ       LYS  20 -13.625  -1.233   8.938
  229   3HZ   LYS  20          3HZ       LYS  20 -13.027  -1.270  10.471
  230    H    GLU  21           H        GLU  21 -12.106  -4.996   4.185
  231    HA   GLU  21           HA       GLU  21 -11.009  -5.443   1.586
  232   1HB   GLU  21          1HB       GLU  21 -13.175  -6.871   3.194
  233   2HB   GLU  21          2HB       GLU  21 -12.387  -7.521   1.754
  234   1HG   GLU  21          1HG       GLU  21 -10.177  -7.408   2.947
  235   2HG   GLU  21          2HG       GLU  21 -10.988  -6.885   4.401
  236    H    GLY  22           H        GLY  22 -12.640  -6.467  -0.046
  237   1HA   GLY  22          1HA       GLY  22 -14.490  -6.321  -1.407
  238   2HA   GLY  22          2HA       GLY  22 -15.128  -4.977  -0.452
  239    H    HIS  23           H        HIS  23 -13.014  -3.182  -0.532
  240    HA   HIS  23           HA       HIS  23 -12.999  -2.340  -3.392
  241   1HB   HIS  23          1HB       HIS  23 -13.215  -0.102  -2.559
  242   2HB   HIS  23          2HB       HIS  23 -14.468  -1.086  -1.819
  243    HD1  HIS  23           HD1      HIS  23 -14.198  -1.619   0.785
  244    HD2  HIS  23           HD2      HIS  23 -11.255   0.888  -0.832
  245    HE1  HIS  23           HE1      HIS  23 -12.951  -0.558   2.728
  246    H    THR  24           H        THR  24 -11.212  -0.827  -3.945
  247    HA   THR  24           HA       THR  24  -8.625  -1.656  -2.682
  248    HB   THR  24           HB       THR  24  -7.651  -1.485  -4.931
  249    HG1  THR  24           HG1      THR  24  -9.167  -1.248  -6.676
  250   1HG2  THR  24          1HG2      THR  24 -10.092  -3.233  -4.921
  251   2HG2  THR  24          2HG2      THR  24  -8.609  -3.426  -5.892
  252   3HG2  THR  24          3HG2      THR  24  -8.558  -3.593  -4.123
  253    H    ALA  25           H        ALA  25  -6.871  -0.074  -3.720
  254    HA   ALA  25           HA       ALA  25  -6.874   2.202  -2.161
  255   1HB   ALA  25          1HB       ALA  25  -4.906   1.032  -3.065
  256   2HB   ALA  25          2HB       ALA  25  -5.288   1.602  -4.697
  257   3HB   ALA  25          3HB       ALA  25  -4.843   2.764  -3.419
  258    H    ARG  26           H        ARG  26  -7.719   2.004  -5.684
  259    HA   ARG  26           HA       ARG  26  -8.108   4.820  -5.968
  260   1HB   ARG  26          1HB       ARG  26  -9.308   4.237  -8.025
  261   2HB   ARG  26          2HB       ARG  26  -7.706   3.497  -7.912
  262   1HG   ARG  26          1HG       ARG  26  -8.575   1.328  -7.540
  263   2HG   ARG  26          2HG       ARG  26 -10.205   1.941  -7.217
  264   1HD   ARG  26          1HD       ARG  26 -10.016   0.915  -9.414
  265   2HD   ARG  26          2HD       ARG  26 -10.552   2.608  -9.476
  266    HE   ARG  26           HE       ARG  26  -7.685   2.340  -9.781
  267   1HH1  ARG  26          1HH1      ARG  26 -10.710   1.971 -11.654
  268   2HH1  ARG  26          2HH1      ARG  26  -9.973   2.514 -13.134
  269   1HH2  ARG  26          1HH2      ARG  26  -6.748   2.896 -11.745
  270   2HH2  ARG  26          2HH2      ARG  26  -7.699   2.973 -13.214
  271    H    ASN  27           H        ASN  27 -10.330   2.174  -5.107
  272    HA   ASN  27           HA       ASN  27 -12.705   3.771  -5.201
  273   1HB   ASN  27          1HB       ASN  27 -12.054   1.112  -3.916
  274   2HB   ASN  27          2HB       ASN  27 -13.691   1.785  -4.026
  275   1HD2  ASN  27          1HD2      ASN  27 -11.167   0.040  -5.734
  276   2HD2  ASN  27          2HD2      ASN  27 -12.100  -0.205  -7.188
  277    H    CYS  28           H        CYS  28 -10.323   3.111  -2.740
  278    HA   CYS  28           HA       CYS  28 -11.545   3.198  -0.372
  279   1HB   CYS  28          1HB       CYS  28  -9.093   2.979  -0.916
  280   2HB   CYS  28          2HB       CYS  28  -8.995   4.735  -0.920
  281    H    ARG  29           H        ARG  29 -11.006   6.192  -2.255
  282    HA   ARG  29           HA       ARG  29 -11.283   8.392  -1.752
  283   1HB   ARG  29          1HB       ARG  29 -13.757   7.030  -0.780
  284   2HB   ARG  29          2HB       ARG  29 -13.623   8.820  -0.827
  285   1HG   ARG  29          1HG       ARG  29 -13.128   8.649  -3.278
  286   2HG   ARG  29          2HG       ARG  29 -13.398   6.898  -3.177
  287   1HD   ARG  29          1HD       ARG  29 -15.714   7.363  -2.300
  288   2HD   ARG  29          2HD       ARG  29 -15.413   9.098  -2.553
  289    HE   ARG  29           HE       ARG  29 -14.907   7.471  -4.906
  290   1HH1  ARG  29          1HH1      ARG  29 -17.543   9.009  -3.089
  291   2HH1  ARG  29          2HH1      ARG  29 -18.610   9.086  -4.466
  292   1HH2  ARG  29          1HH2      ARG  29 -16.283   7.608  -6.694
  293   2HH2  ARG  29          2HH2      ARG  29 -17.889   8.277  -6.539
  294    H    ALA  30           H        ALA  30  -9.436   7.643  -0.202
  295    HA   ALA  30           HA       ALA  30  -9.836   9.115   2.321
  296   1HB   ALA  30          1HB       ALA  30  -9.981   6.665   2.900
  297   2HB   ALA  30          2HB       ALA  30  -8.418   6.407   2.106
  298   3HB   ALA  30          3HB       ALA  30  -8.508   7.387   3.562
  299    HA   PRO  31           HA       PRO  31  -6.100  11.040   0.824
  300   1HB   PRO  31          1HB       PRO  31  -4.469  11.220   3.074
  301   2HB   PRO  31          2HB       PRO  31  -5.841  12.304   2.707
  302   1HG   PRO  31          1HG       PRO  31  -5.854   9.847   4.473
  303   2HG   PRO  31          2HG       PRO  31  -6.514  11.470   4.843
  304   1HD   PRO  31          1HD       PRO  31  -8.143   9.522   3.996
  305   2HD   PRO  31          2HD       PRO  31  -8.329  11.153   3.302
  306    H    ARG  32           H        ARG  32  -4.583  10.084  -0.408
  307    HA   ARG  32           HA       ARG  32  -3.857   7.294   0.132
  308   1HB   ARG  32          1HB       ARG  32  -3.338   9.056  -2.282
  309   2HB   ARG  32          2HB       ARG  32  -3.039   7.312  -2.156
  310   1HG   ARG  32          1HG       ARG  32  -5.481   6.977  -1.676
  311   2HG   ARG  32          2HG       ARG  32  -5.756   8.697  -2.014
  312   1HD   ARG  32          1HD       ARG  32  -4.794   8.306  -4.316
  313   2HD   ARG  32          2HD       ARG  32  -4.574   6.606  -3.871
  314    HE   ARG  32           HE       ARG  32  -6.769   6.169  -4.282
  315   1HH1  ARG  32          1HH1      ARG  32  -6.477   9.673  -3.796
  316   2HH1  ARG  32          2HH1      ARG  32  -7.935  10.036  -4.688
  317   1HH2  ARG  32          1HH2      ARG  32  -8.850   6.673  -5.224
  318   2HH2  ARG  32          2HH2      ARG  32  -9.317   8.342  -5.387
  319    H    LYS  33           H        LYS  33  -1.609   6.584  -0.428
  320    HA   LYS  33           HA       LYS  33   0.228   8.031   1.330
  321   1HB   LYS  33          1HB       LYS  33   0.591   5.418  -0.164
  322   2HB   LYS  33          2HB       LYS  33   1.478   5.973   1.250
  323   1HG   LYS  33          1HG       LYS  33  -1.410   5.023   1.155
  324   2HG   LYS  33          2HG       LYS  33  -0.028   4.265   1.953
  325   1HD   LYS  33          1HD       LYS  33   0.211   6.154   3.471
  326   2HD   LYS  33          2HD       LYS  33  -1.258   6.888   2.761
  327   1HE   LYS  33          1HE       LYS  33  -2.532   4.816   3.382
  328   2HE   LYS  33          2HE       LYS  33  -1.083   4.200   4.200
  329   1HZ   LYS  33          1HZ       LYS  33  -2.533   6.668   4.866
  330   2HZ   LYS  33          2HZ       LYS  33  -2.587   5.254   5.709
  331   3HZ   LYS  33          3HZ       LYS  33  -1.184   6.115   5.639
  332    H    LYS  34           H        LYS  34   2.621   7.585   0.527
  333    HA   LYS  34           HA       LYS  34   3.057   8.287  -2.323
  334   1HB   LYS  34          1HB       LYS  34   4.233   9.805   0.063
  335   2HB   LYS  34          2HB       LYS  34   4.875   9.831  -1.582
  336   1HG   LYS  34          1HG       LYS  34   3.609  11.685  -1.726
  337   2HG   LYS  34          2HG       LYS  34   2.402  10.508  -2.252
  338   1HD   LYS  34          1HD       LYS  34   1.622  10.452   0.220
  339   2HD   LYS  34          2HD       LYS  34   2.700  11.820   0.493
  340   1HE   LYS  34          1HE       LYS  34   0.374  11.711  -1.492
  341   2HE   LYS  34          2HE       LYS  34   0.357  12.519   0.083
  342   1HZ   LYS  34          1HZ       LYS  34   2.092  13.965  -0.705
  343   2HZ   LYS  34          2HZ       LYS  34   2.084  13.229  -2.181
  344   3HZ   LYS  34          3HZ       LYS  34   0.758  14.059  -1.667
  345    H    GLY  35           H        GLY  35   4.541   7.444   0.838
  346   1HA   GLY  35          1HA       GLY  35   6.781   6.034  -0.263
  347   2HA   GLY  35          2HA       GLY  35   6.180   5.995   1.405
  348    H    CYS  36           H        CYS  36   7.011   3.683   0.927
  349    HA   CYS  36           HA       CYS  36   5.660   1.937  -0.806
  350   1HB   CYS  36          1HB       CYS  36   7.905   1.654   0.221
  351   2HB   CYS  36          2HB       CYS  36   7.118   1.229   1.747
  352    H    TRP  37           H        TRP  37   3.651   0.945  -0.684
  353    HA   TRP  37           HA       TRP  37   1.869   1.367   1.476
  354   1HB   TRP  37          1HB       TRP  37   2.074  -0.103  -1.149
  355   2HB   TRP  37          2HB       TRP  37   0.839  -0.610  -0.056
  356    HD1  TRP  37           HD1      TRP  37   0.560   2.820   0.519
  357    HE1  TRP  37           HE1      TRP  37  -1.127   3.990  -1.059
  358    HE3  TRP  37           HE3      TRP  37   0.417  -0.650  -3.211
  359    HZ2  TRP  37           HZ2      TRP  37  -2.458   3.393  -3.498
  360    HZ3  TRP  37           HZ3      TRP  37  -1.004  -0.286  -5.196
  361    HH2  TRP  37           HH2      TRP  37  -2.477   1.693  -5.351
  362    H    LYS  38           H        LYS  38   3.600  -1.551   0.294
  363    HA   LYS  38           HA       LYS  38   2.451  -3.291   2.238
  364   1HB   LYS  38          1HB       LYS  38   4.694  -3.466   0.215
  365   2HB   LYS  38          2HB       LYS  38   4.513  -4.744   1.416
  366   1HG   LYS  38          1HG       LYS  38   2.165  -5.066   0.794
  367   2HG   LYS  38          2HG       LYS  38   2.316  -3.819  -0.459
  368   1HD   LYS  38          1HD       LYS  38   4.114  -5.188  -1.550
  369   2HD   LYS  38          2HD       LYS  38   3.910  -6.430  -0.309
  370   1HE   LYS  38          1HE       LYS  38   1.740  -5.515  -2.258
  371   2HE   LYS  38          2HE       LYS  38   2.744  -6.956  -2.462
  372   1HZ   LYS  38          1HZ       LYS  38   1.842  -7.814  -0.423
  373   2HZ   LYS  38          2HZ       LYS  38   0.881  -6.488  -0.242
  374   3HZ   LYS  38          3HZ       LYS  38   0.648  -7.506  -1.514
  375    H    CYS  39           H        CYS  39   5.882  -2.387   1.986
  376    HA   CYS  39           HA       CYS  39   6.356  -3.274   4.721
  377   1HB   CYS  39          1HB       CYS  39   8.604  -1.978   3.837
  378   2HB   CYS  39          2HB       CYS  39   8.403  -3.652   4.187
  379    H    GLY  40           H        GLY  40   5.887  -0.057   3.251
  380   1HA   GLY  40          1HA       GLY  40   4.891   1.562   4.730
  381   2HA   GLY  40          2HA       GLY  40   5.930   1.043   6.039
  382    H    LYS  41           H        LYS  41   8.432   0.932   4.642
  383    HA   LYS  41           HA       LYS  41   9.288   3.529   5.162
  384   1HB   LYS  41          1HB       LYS  41  10.624   1.380   3.474
  385   2HB   LYS  41          2HB       LYS  41  11.373   2.918   3.927
  386   1HG   LYS  41          1HG       LYS  41  10.593   2.172   6.377
  387   2HG   LYS  41          2HG       LYS  41  10.689   0.564   5.669
  388   1HD   LYS  41          1HD       LYS  41  12.904   2.678   5.573
  389   2HD   LYS  41          2HD       LYS  41  12.806   1.446   6.829
  390   1HE   LYS  41          1HE       LYS  41  13.042   0.763   3.864
  391   2HE   LYS  41          2HE       LYS  41  14.429   0.996   4.938
  392   1HZ   LYS  41          1HZ       LYS  41  13.549  -0.750   6.343
  393   2HZ   LYS  41          2HZ       LYS  41  12.342  -1.035   5.249
  394   3HZ   LYS  41          3HZ       LYS  41  13.906  -1.275   4.822
  395    H    GLU  42           H        GLU  42   9.820   5.294   4.081
  396    HA   GLU  42           HA       GLU  42   8.437   5.687   1.497
  397   1HB   GLU  42          1HB       GLU  42   8.373   8.006   2.020
  398   2HB   GLU  42          2HB       GLU  42   7.778   7.101   3.391
  399   1HG   GLU  42          1HG       GLU  42  10.646   8.146   3.256
  400   2HG   GLU  42          2HG       GLU  42   9.295   9.072   3.906
  401    H    GLY  43           H        GLY  43   9.641   7.832   0.464
  402   1HA   GLY  43          1HA       GLY  43  11.393   8.508  -0.858
  403   2HA   GLY  43          2HA       GLY  43  12.488   7.437   0.028
  404    H    HIS  44           H        HIS  44   9.769   5.656  -0.976
  405    HA   HIS  44           HA       HIS  44  10.411   5.088  -3.702
  406   1HB   HIS  44          1HB       HIS  44  11.209   2.805  -3.381
  407   2HB   HIS  44          2HB       HIS  44  12.331   3.925  -2.626
  408    HD1  HIS  44           HD1      HIS  44  12.795   3.575  -0.092
  409    HD2  HIS  44           HD2      HIS  44   9.595   1.323  -1.549
  410    HE1  HIS  44           HE1      HIS  44  12.209   1.836   1.697
  411    H    GLN  45           H        GLN  45   8.729   3.770  -4.604
  412    HA   GLN  45           HA       GLN  45   6.296   3.478  -2.921
  413   1HB   GLN  45          1HB       GLN  45   6.823   3.028  -5.887
  414   2HB   GLN  45          2HB       GLN  45   5.265   2.801  -5.086
  415   1HG   GLN  45          1HG       GLN  45   5.122   5.146  -4.494
  416   2HG   GLN  45          2HG       GLN  45   6.767   5.450  -5.079
  417   1HE2  GLN  45          1HE2      GLN  45   3.956   3.647  -6.510
  418   2HE2  GLN  45          2HE2      GLN  45   3.966   4.549  -8.016
  419    H    MET  46           H        MET  46   5.085   1.342  -3.274
  420    HA   MET  46           HA       MET  46   6.663  -0.912  -2.492
  421   1HB   MET  46          1HB       MET  46   4.450  -0.699  -1.751
  422   2HB   MET  46          2HB       MET  46   3.784  -0.569  -3.364
  423   1HG   MET  46          1HG       MET  46   5.277  -3.018  -2.343
  424   2HG   MET  46          2HG       MET  46   3.548  -2.779  -2.097
  425   1HE   MET  46          1HE       MET  46   1.706  -2.934  -3.798
  426   2HE   MET  46          2HE       MET  46   2.370  -1.672  -4.862
  427   3HE   MET  46          3HE       MET  46   1.922  -3.250  -5.533
  428    H    LYS  47           H        LYS  47   5.305   0.082  -5.593
  429    HA   LYS  47           HA       LYS  47   6.110  -2.029  -7.237
  430   1HB   LYS  47          1HB       LYS  47   6.304   0.938  -7.872
  431   2HB   LYS  47          2HB       LYS  47   6.204  -0.365  -9.050
  432   1HG   LYS  47          1HG       LYS  47   4.054   0.541  -7.088
  433   2HG   LYS  47          2HG       LYS  47   4.061   0.781  -8.819
  434   1HD   LYS  47          1HD       LYS  47   3.824  -1.893  -7.360
  435   2HD   LYS  47          2HD       LYS  47   2.529  -1.009  -8.145
  436   1HE   LYS  47          1HE       LYS  47   4.950  -2.220  -9.561
  437   2HE   LYS  47          2HE       LYS  47   3.326  -2.907  -9.518
  438   1HZ   LYS  47          1HZ       LYS  47   3.955  -0.285 -10.681
  439   2HZ   LYS  47          2HZ       LYS  47   3.804  -1.689 -11.531
  440   3HZ   LYS  47          3HZ       LYS  47   2.506  -1.084 -10.736
  441    H    ASP  48           H        ASP  48   8.033   0.760  -6.106
  442    HA   ASP  48           HA       ASP  48  10.407   0.174  -7.604
  443   1HB   ASP  48          1HB       ASP  48   9.971   1.889  -5.133
  444   2HB   ASP  48          2HB       ASP  48  11.334   1.997  -6.219
  445    H    CYS  49           H        CYS  49   9.399  -0.206  -4.262
  446    HA   CYS  49           HA       CYS  49  11.500  -0.650  -2.800
  447   1HB   CYS  49          1HB       CYS  49   9.038  -0.716  -2.175
  448   2HB   CYS  49          2HB       CYS  49   9.087  -2.449  -2.491
  449    H    THR  50           H        THR  50  12.904  -2.114  -2.092
  450    HA   THR  50           HA       THR  50  12.899  -4.907  -3.093
  451    HB   THR  50           HB       THR  50  15.304  -4.797  -3.531
  452    HG1  THR  50           HG1      THR  50  15.828  -3.092  -2.138
  453   1HG2  THR  50          1HG2      THR  50  13.884  -2.560  -5.020
  454   2HG2  THR  50          2HG2      THR  50  15.232  -3.564  -5.590
  455   3HG2  THR  50          3HG2      THR  50  13.629  -4.296  -5.330
  456    H    GLU  51           H        GLU  51  11.934  -3.986  -0.717
  457    HA   GLU  51           HA       GLU  51  13.877  -4.541   1.455
  458   1HB   GLU  51          1HB       GLU  51  10.931  -3.880   1.307
  459   2HB   GLU  51          2HB       GLU  51  11.664  -4.423   2.812
  460   1HG   GLU  51          1HG       GLU  51  13.192  -2.517   2.800
  461   2HG   GLU  51          2HG       GLU  51  12.526  -1.935   1.276
  462    H    ARG  52           H        ARG  52  10.606  -5.824   1.098
  463    HA   ARG  52           HA       ARG  52  11.478  -8.569   0.489
  464   1HB   ARG  52          1HB       ARG  52   9.763  -7.884   2.902
  465   2HB   ARG  52          2HB       ARG  52  10.030  -9.497   2.216
  466   1HG   ARG  52          1HG       ARG  52  12.544  -9.084   2.603
  467   2HG   ARG  52          2HG       ARG  52  12.046  -7.722   3.623
  468   1HD   ARG  52          1HD       ARG  52  11.390 -10.681   3.983
  469   2HD   ARG  52          2HD       ARG  52  12.436  -9.690   4.988
  470    HE   ARG  52           HE       ARG  52  10.608  -8.542   5.913
  471   1HH1  ARG  52          1HH1      ARG  52   9.458 -11.106   3.688
  472   2HH1  ARG  52          2HH1      ARG  52   7.888 -11.167   4.423
  473   1HH2  ARG  52          1HH2      ARG  52   8.485  -8.566   6.728
  474   2HH2  ARG  52          2HH2      ARG  52   7.288  -9.633   6.037
  475    H    GLN  53           H        GLN  53  10.627  -7.984  -1.533
  476    HA   GLN  53           HA       GLN  53   8.159  -6.698  -1.952
  477   1HB   GLN  53          1HB       GLN  53  10.110  -6.955  -3.554
  478   2HB   GLN  53          2HB       GLN  53   9.501  -8.582  -3.884
  479   1HG   GLN  53          1HG       GLN  53   8.632  -7.127  -5.539
  480   2HG   GLN  53          2HG       GLN  53   7.268  -7.538  -4.501
  481   1HE2  GLN  53          1HE2      GLN  53   6.634  -5.492  -5.937
  482   2HE2  GLN  53          2HE2      GLN  53   6.903  -3.942  -5.157
  483    H    ALA  54           H        ALA  54   6.130  -7.359  -1.830
  484    HA   ALA  54           HA       ALA  54   4.306  -8.589  -1.426
  485   1HB   ALA  54          1HB       ALA  54   4.802  -9.484  -3.689
  486   2HB   ALA  54          2HB       ALA  54   5.672 -10.843  -2.946
  487   3HB   ALA  54          3HB       ALA  54   3.937 -10.634  -2.656
  488    H    ASN  55           H        ASN  55   6.567  -8.622   0.499
  489    HA   ASN  55           HA       ASN  55   7.086  -9.439   2.486
  490   1HB   ASN  55          1HB       ASN  55   4.657  -9.228   2.856
  491   2HB   ASN  55          2HB       ASN  55   4.421 -10.918   2.399
  492   1HD2  ASN  55          1HD2      ASN  55   5.641 -12.560   3.710
  493   2HD2  ASN  55          2HD2      ASN  55   5.815 -12.261   5.434
  Start of MODEL    7
    1   1H5*    G 101          1H5*        G 101 -22.135   4.442  -7.222
    2   2H5*    G 101          2H5*        G 101 -21.047   3.958  -5.910
    3    H4*    G 101           H4*        G 101 -23.155   2.425  -7.204
    4    H3*    G 101           H3*        G 101 -21.664   2.375  -4.664
    5    H1*    G 101           H1*        G 101 -20.635  -0.510  -7.139
    6    H8     G 101           H8         G 101 -19.315   1.511  -4.365
    7    H1     G 101           H1         G 101 -15.561   2.157  -9.533
    8   1H2     G 101          1H2         G 101 -16.614   1.302 -11.354
    9   2H2     G 101          2H2         G 101 -18.251   0.699 -11.270
   10    H5T    G 101           H5T        G 101 -20.624   3.314  -8.618
   11   1H2*    G 101          1H2*        G 101 -21.072   0.119  -4.600
   12   2H2*    G 101          2H2*        G 101 -22.400  -0.326  -5.697
   13   1H5*    T 102          1H5*        T 102 -25.616  -1.115  -4.261
   14   2H5*    T 102          2H5*        T 102 -25.181  -1.426  -2.564
   15    H4*    T 102           H4*        T 102 -25.011  -3.523  -3.645
   16    H3*    T 102           H3*        T 102 -22.463  -2.308  -2.850
   17   1H2*    T 102          1H2*        T 102 -21.656  -2.432  -5.033
   18   2H2*    T 102          2H2*        T 102 -21.307  -4.112  -4.595
   19    H1*    T 102           H1*        T 102 -23.505  -4.806  -5.400
   20    H3     T 102           H3         T 102 -21.310  -5.639  -9.380
   21   1H5M    T 102          1H5M        T 102 -22.810  -0.427  -9.262
   22   2H5M    T 102          2H5M        T 102 -22.379  -1.254 -10.768
   23   3H5M    T 102          3H5M        T 102 -21.101  -0.689  -9.674
   24    H6     T 102           H6         T 102 -23.041  -1.682  -7.283
   25   1H5*    C 103          1H5*        C 103 -22.001  -6.748  -3.662
   26   2H5*    C 103          2H5*        C 103 -20.947  -7.514  -2.454
   27    H4*    C 103           H4*        C 103 -20.245  -8.063  -4.726
   28    H3*    C 103           H3*        C 103 -18.415  -6.820  -2.827
   29    H1*    C 103           H1*        C 103 -18.617  -6.978  -6.495
   30   1H4     C 103          1H4         C 103 -18.310  -1.950 -10.507
   31   2H4     C 103          2H4         C 103 -18.631  -0.818  -9.213
   32    H5     C 103           H5         C 103 -18.822  -1.525  -6.846
   33    H6     C 103           H6         C 103 -19.195  -3.349  -5.433
   34   1H2*    C 103          1H2*        C 103 -18.055  -4.997  -4.258
   35   2H2*    C 103          2H2*        C 103 -16.881  -6.073  -5.013
   36   1H5*    C 104          1H5*        C 104 -17.136  -9.155  -6.868
   37   2H5*    C 104          2H5*        C 104 -15.973 -10.340  -6.239
   38    H4*    C 104           H4*        C 104 -15.238  -9.740  -8.449
   39    H3*    C 104           H3*        C 104 -13.636  -9.515  -6.180
   40    H1*    C 104           H1*        C 104 -13.594  -7.241  -9.042
   41   1H4     C 104          1H4         C 104 -15.473  -1.090  -9.035
   42   2H4     C 104          2H4         C 104 -16.118  -1.205  -7.404
   43    H5     C 104           H5         C 104 -15.973  -3.348  -6.065
   44    H6     C 104           H6         C 104 -15.124  -5.602  -6.134
   45   1H2*    C 104          1H2*        C 104 -13.883  -7.201  -6.010
   46   2H2*    C 104          2H2*        C 104 -12.433  -7.141  -6.937
   47   1H5*    C 105          1H5*        C 105 -10.533  -8.556 -10.078
   48   2H5*    C 105          2H5*        C 105  -9.066  -9.319  -9.432
   49    H4*    C 105           H4*        C 105  -8.479  -7.153 -10.337
   50    H3*    C 105           H3*        C 105  -7.767  -7.886  -7.717
   51    H1*    C 105           H1*        C 105  -8.747  -4.566  -8.785
   52   1H4     C 105          1H4         C 105 -13.228  -0.582  -6.883
   53   2H4     C 105          2H4         C 105 -13.654  -1.640  -5.550
   54    H5     C 105           H5         C 105 -12.800  -3.970  -5.380
   55    H6     C 105           H6         C 105 -11.256  -5.506  -6.262
   56   1H2*    C 105          1H2*        C 105  -9.602  -6.702  -6.797
   57   2H2*    C 105          2H2*        C 105  -8.268  -5.514  -6.614
   58   1H5*    T 106          1H5*        T 106  -5.863  -4.285 -10.130
   59   2H5*    T 106          2H5*        T 106  -4.326  -4.700 -10.906
   60    H4*    T 106           H4*        T 106  -4.413  -2.344 -10.114
   61    H3*    T 106           H3*        T 106  -2.393  -4.276  -9.133
   62   1H2*    T 106          1H2*        T 106  -1.594  -2.735  -7.327
   63   2H2*    T 106          2H2*        T 106  -2.447  -1.407  -8.083
   64    H1*    T 106           H1*        T 106  -4.018  -1.857  -6.524
   65    H3     T 106           H3         T 106  -2.719  -6.903  -5.547
   66   1H5M    T 106          1H5M        T 106  -7.226  -5.307  -4.052
   67   2H5M    T 106          2H5M        T 106  -6.134  -5.549  -2.671
   68   3H5M    T 106          3H5M        T 106  -6.506  -3.904  -3.208
   69    H6     T 106           H6         T 106  -5.599  -3.070  -5.307
   70   1H5*    G 107          1H5*        G 107  -1.497  -0.092 -10.464
   71   2H5*    G 107          2H5*        G 107  -0.024   0.039 -11.441
   72    H4*    G 107           H4*        G 107  -0.642   1.941  -9.779
   73    H3*    G 107           H3*        G 107   2.130   0.734  -9.857
   74    H1*    G 107           H1*        G 107  -0.058   2.645  -7.303
   75    H8     G 107           H8         G 107   1.797  -0.632  -6.596
   76    H1     G 107           H1         G 107   3.045   4.079  -2.406
   77   1H2     G 107          1H2         G 107   2.296   6.035  -3.287
   78   2H2     G 107          2H2         G 107   1.396   6.091  -4.787
   79   1H2*    G 107          1H2*        G 107   2.707   2.112  -8.150
   80   2H2*    G 107          2H2*        G 107   1.582   3.422  -8.597
   81   1H5*    T 108          1H5*        T 108   1.374   5.463 -12.641
   82   2H5*    T 108          2H5*        T 108   2.630   6.432 -11.843
   83    H4*    T 108           H4*        T 108   0.574   7.663 -11.824
   84    H3*    T 108           H3*        T 108   1.834   7.112  -9.351
   85   1H2*    T 108          1H2*        T 108   0.272   5.394  -8.819
   86   2H2*    T 108          2H2*        T 108  -0.513   6.795  -8.030
   87    H1*    T 108           H1*        T 108  -1.744   7.316  -9.932
   88    H3     T 108           H3         T 108  -5.491   4.866 -10.842
   89   1H5M    T 108          1H5M        T 108  -2.264   2.066  -7.516
   90   2H5M    T 108          2H5M        T 108  -3.990   1.729  -7.680
   91   3H5M    T 108          3H5M        T 108  -2.862   1.140  -8.910
   92    H6     T 108           H6         T 108  -1.334   3.957  -8.617
   93   1H5*    T 109          1H5*        T 109  -1.775  10.043 -10.156
   94   2H5*    T 109          2H5*        T 109  -1.909  11.392  -9.018
   95    H4*    T 109           H4*        T 109  -4.066  10.435  -9.928
   96    H3*    T 109           H3*        T 109  -3.761  11.482  -7.371
   97   1H2*    T 109          1H2*        T 109  -3.129   9.373  -6.546
   98   2H2*    T 109          2H2*        T 109  -4.767   9.350  -5.990
   99    H1*    T 109           H1*        T 109  -5.592   8.412  -8.111
  100    H3     T 109           H3         T 109  -5.691   4.073  -6.688
  101   1H5M    T 109          1H5M        T 109  -0.706   5.361  -6.466
  102   2H5M    T 109          2H5M        T 109  -1.116   6.008  -4.856
  103   3H5M    T 109          3H5M        T 109  -1.277   4.270  -5.188
  104    H6     T 109           H6         T 109  -2.331   7.486  -6.683
  105   1H5*    C 110          1H5*        C 110  -7.253   9.519  -9.510
  106   2H5*    C 110          2H5*        C 110  -8.694  10.495  -9.239
  107    H4*    C 110           H4*        C 110  -8.440   7.632  -9.653
  108    H3*    C 110           H3*        C 110 -10.851   9.478  -9.282
  109    H1*    C 110           H1*        C 110 -10.148   5.901  -8.353
  110   1H4     C 110          1H4         C 110 -14.990   7.124  -4.037
  111   2H4     C 110          2H4         C 110 -15.755   5.973  -5.114
  112    H5     C 110           H5         C 110 -14.685   5.235  -7.224
  113    H6     C 110           H6         C 110 -12.693   5.400  -8.563
  114   1H2*    C 110          1H2*        C 110 -12.100   7.494  -9.736
  115   2H2*    C 110          2H2*        C 110 -10.669   6.649 -10.392
  116   1H5*    G 111          1H5*        G 111  -9.541   7.114 -13.001
  117   2H5*    G 111          2H5*        G 111 -10.296   7.731 -14.484
  118    H4*    G 111           H4*        G 111 -10.028   5.300 -14.530
  119    H3*    G 111           H3*        G 111 -12.499   6.632 -15.121
  120    H1*    G 111           H1*        G 111 -11.810   3.277 -13.753
  121    H8     G 111           H8         G 111 -14.080   4.964 -11.086
  122    H1     G 111           H1         G 111 -11.843  -0.829  -9.406
  123   1H2     G 111          1H2         G 111 -10.446  -1.588 -11.051
  124   2H2     G 111          2H2         G 111 -10.076  -0.617 -12.465
  125   1H2*    G 111          1H2*        G 111 -13.533   5.710 -13.181
  126   2H2*    G 111          2H2*        G 111 -13.900   4.389 -14.328
  127   1H5*    G 112          1H5*        G 112 -10.552   3.151 -17.446
  128   2H5*    G 112          2H5*        G 112 -11.251   2.850 -19.047
  129    H4*    G 112           H4*        G 112 -10.207   0.853 -17.999
  130    H3*    G 112           H3*        G 112 -12.677   0.819 -19.319
  131    H1*    G 112           H1*        G 112 -11.921  -1.083 -16.219
  132    H8     G 112           H8         G 112 -14.114   2.007 -15.197
  133    H1     G 112           H1         G 112 -13.927  -2.725 -10.846
  134   1H2     G 112          1H2         G 112 -12.522  -4.352 -11.587
  135   2H2     G 112          2H2         G 112 -11.633  -4.188 -13.090
  136   1H2*    G 112          1H2*        G 112 -13.923   0.915 -17.298
  137   2H2*    G 112          2H2*        G 112 -13.907  -0.837 -17.553
  138   1H5*    G 113          1H5*        G 113 -10.960  -2.845 -16.814
  139   2H5*    G 113          2H5*        G 113 -10.630  -3.885 -18.152
  140    H4*    G 113           H4*        G 113 -10.837  -5.269 -16.244
  141    H3*    G 113           H3*        G 113 -12.482  -5.855 -18.399
  142    H1*    G 113           H1*        G 113 -13.720  -5.944 -14.866
  143    H8     G 113           H8         G 113 -14.848  -2.543 -16.472
  144    H1     G 113           H1         G 113 -17.685  -3.932 -10.878
  145   1H2     G 113          1H2         G 113 -17.029  -5.965 -10.175
  146   2H2     G 113          2H2         G 113 -15.775  -6.849 -11.018
  147   1H2*    G 113          1H2*        G 113 -14.346  -4.602 -17.506
  148   2H2*    G 113          2H2*        G 113 -14.776  -6.233 -16.994
  149   1H5*    C 114          1H5*        C 114 -13.172  -7.816 -14.114
  150   2H5*    C 114          2H5*        C 114 -12.864  -9.472 -14.491
  151    H4*    C 114           H4*        C 114 -14.316  -9.431 -12.593
  152    H3*    C 114           H3*        C 114 -15.133 -10.818 -14.928
  153    H1*    C 114           H1*        C 114 -17.361  -8.805 -12.619
  154   1H4     C 114          1H4         C 114 -20.093  -3.330 -14.657
  155   2H4     C 114          2H4         C 114 -19.075  -3.274 -16.079
  156    H5     C 114           H5         C 114 -17.477  -5.081 -16.640
  157    H6     C 114           H6         C 114 -16.497  -7.138 -15.840
  158    H3T    C 114           H3T        C 114 -16.281 -10.759 -12.319
  159   1H2*    C 114          1H2*        C 114 -16.785  -9.311 -15.568
  160   2H2*    C 114          2H2*        C 114 -17.770 -10.277 -14.442
  161   1H    ASN  12          1H        ASN  12 -13.375 -11.607  -3.490
  162   2H    ASN  12          2H        ASN  12 -13.478 -10.422  -4.679
  163   3H    ASN  12          3H        ASN  12 -11.978 -11.044  -4.239
  164    HA   ASN  12           HA       ASN  12 -13.360  -8.879  -3.214
  165   1HB   ASN  12          1HB       ASN  12 -13.424  -9.319  -0.851
  166   2HB   ASN  12          2HB       ASN  12 -14.374 -10.564  -1.664
  167   1HD2  ASN  12          1HD2      ASN  12 -12.535 -10.326   0.965
  168   2HD2  ASN  12          2HD2      ASN  12 -11.651 -11.832   0.890
  169    H    VAL  13           H        VAL  13 -11.940  -7.767  -1.499
  170    HA   VAL  13           HA       VAL  13  -9.033  -8.160  -2.017
  171    HB   VAL  13           HB       VAL  13  -9.002  -5.627  -2.433
  172   1HG1  VAL  13          1HG1      VAL  13  -8.713  -7.239  -4.268
  173   2HG1  VAL  13          2HG1      VAL  13 -10.477  -7.226  -4.540
  174   3HG1  VAL  13          3HG1      VAL  13  -9.531  -5.736  -4.728
  175   1HG2  VAL  13          1HG2      VAL  13 -11.287  -5.115  -1.566
  176   2HG2  VAL  13          2HG2      VAL  13 -11.014  -4.537  -3.221
  177   3HG2  VAL  13          3HG2      VAL  13 -11.991  -5.976  -2.952
  178    H    LYS  14           H        LYS  14  -7.872  -6.334  -0.789
  179    HA   LYS  14           HA       LYS  14  -9.124  -5.398   1.652
  180   1HB   LYS  14          1HB       LYS  14  -6.538  -6.276   2.463
  181   2HB   LYS  14          2HB       LYS  14  -8.088  -6.540   3.181
  182   1HG   LYS  14          1HG       LYS  14  -8.073  -8.501   1.169
  183   2HG   LYS  14          2HG       LYS  14  -6.348  -8.278   1.454
  184   1HD   LYS  14          1HD       LYS  14  -7.152 -10.059   2.856
  185   2HD   LYS  14          2HD       LYS  14  -6.865  -8.682   3.939
  186   1HE   LYS  14          1HE       LYS  14  -9.292  -8.153   3.920
  187   2HE   LYS  14          2HE       LYS  14  -9.575  -9.403   2.696
  188   1HZ   LYS  14          1HZ       LYS  14  -8.672  -9.851   5.447
  189   2HZ   LYS  14          2HZ       LYS  14 -10.198 -10.058   4.847
  190   3HZ   LYS  14          3HZ       LYS  14  -8.965 -11.026   4.319
  191    H    CYS  15           H        CYS  15  -8.970  -3.373   1.162
  192    HA   CYS  15           HA       CYS  15  -7.383  -2.111  -0.680
  193   1HB   CYS  15          1HB       CYS  15  -9.424  -1.220   0.298
  194   2HB   CYS  15          2HB       CYS  15  -8.651  -1.092   1.876
  195    H    PHE  16           H        PHE  16  -5.227  -1.533  -0.805
  196    HA   PHE  16           HA       PHE  16  -3.313  -1.950   1.223
  197   1HB   PHE  16          1HB       PHE  16  -3.326   0.035  -1.079
  198   2HB   PHE  16          2HB       PHE  16  -1.928  -0.376  -0.136
  199    HD1  PHE  16           HD1      PHE  16  -1.375  -3.041  -0.044
  200    HD2  PHE  16           HD2      PHE  16  -3.612  -1.042  -3.144
  201    HE1  PHE  16           HE1      PHE  16  -0.525  -4.661  -1.723
  202    HE2  PHE  16           HE2      PHE  16  -2.528  -2.460  -4.817
  203    HZ   PHE  16           HZ       PHE  16  -1.064  -4.322  -4.153
  204    H    ASN  17           H        ASN  17  -5.092   0.961   0.226
  205    HA   ASN  17           HA       ASN  17  -3.746   2.759   1.926
  206   1HB   ASN  17          1HB       ASN  17  -4.826   3.296  -0.234
  207   2HB   ASN  17          2HB       ASN  17  -6.413   3.040   0.493
  208   1HD2  ASN  17          1HD2      ASN  17  -7.073   5.220   0.110
  209   2HD2  ASN  17          2HD2      ASN  17  -6.406   6.556   1.017
  210    H    CYS  18           H        CYS  18  -6.487   0.659   2.738
  211    HA   CYS  18           HA       CYS  18  -6.689   2.090   5.334
  212   1HB   CYS  18          1HB       CYS  18  -8.904   2.598   5.272
  213   2HB   CYS  18          2HB       CYS  18  -8.319   3.108   3.708
  214    H    GLY  19           H        GLY  19  -6.969  -0.902   3.547
  215   1HA   GLY  19          1HA       GLY  19  -6.650  -2.990   4.557
  216   2HA   GLY  19          2HA       GLY  19  -7.274  -2.379   6.094
  217    H    LYS  20           H        LYS  20  -9.662  -1.163   4.985
  218    HA   LYS  20           HA       LYS  20 -11.412  -3.344   5.281
  219   1HB   LYS  20          1HB       LYS  20 -11.935  -0.601   4.106
  220   2HB   LYS  20          2HB       LYS  20 -13.193  -1.767   4.537
  221   1HG   LYS  20          1HG       LYS  20 -12.346  -1.833   6.858
  222   2HG   LYS  20          2HG       LYS  20 -11.177  -0.553   6.489
  223   1HD   LYS  20          1HD       LYS  20 -14.216  -0.310   6.260
  224   2HD   LYS  20          2HD       LYS  20 -13.241   0.241   7.632
  225   1HE   LYS  20          1HE       LYS  20 -11.988   1.780   6.107
  226   2HE   LYS  20          2HE       LYS  20 -13.065   1.305   4.777
  227   1HZ   LYS  20          1HZ       LYS  20 -13.904   2.578   7.283
  228   2HZ   LYS  20          2HZ       LYS  20 -13.781   3.314   5.815
  229   3HZ   LYS  20          3HZ       LYS  20 -14.903   2.129   6.051
  230    H    GLU  21           H        GLU  21 -12.676  -4.557   3.922
  231    HA   GLU  21           HA       GLU  21 -11.531  -5.078   1.328
  232   1HB   GLU  21          1HB       GLU  21 -13.990  -6.365   2.578
  233   2HB   GLU  21          2HB       GLU  21 -12.932  -7.007   1.338
  234   1HG   GLU  21          1HG       GLU  21 -11.026  -6.923   2.931
  235   2HG   GLU  21          2HG       GLU  21 -12.166  -6.621   4.246
  236    H    GLY  22           H        GLY  22 -13.737  -6.001  -0.008
  237   1HA   GLY  22          1HA       GLY  22 -15.412  -5.403  -1.471
  238   2HA   GLY  22          2HA       GLY  22 -15.674  -3.913  -0.555
  239    H    HIS  23           H        HIS  23 -13.288  -2.588  -0.722
  240    HA   HIS  23           HA       HIS  23 -12.979  -2.000  -3.624
  241   1HB   HIS  23          1HB       HIS  23 -12.529   0.222  -2.793
  242   2HB   HIS  23          2HB       HIS  23 -14.178  -0.144  -2.591
  243    HD1  HIS  23           HD1      HIS  23 -14.622  -0.726   0.228
  244    HD2  HIS  23           HD2      HIS  23 -10.971   1.015  -0.843
  245    HE1  HIS  23           HE1      HIS  23 -13.527   0.109   2.365
  246    H    THR  24           H        THR  24 -11.029  -0.631  -4.026
  247    HA   THR  24           HA       THR  24  -8.610  -1.682  -2.636
  248    HB   THR  24           HB       THR  24  -7.508  -1.549  -4.833
  249    HG1  THR  24           HG1      THR  24  -8.903  -1.169  -6.652
  250   1HG2  THR  24          1HG2      THR  24 -10.086  -3.090  -4.998
  251   2HG2  THR  24          2HG2      THR  24  -8.581  -3.394  -5.893
  252   3HG2  THR  24          3HG2      THR  24  -8.650  -3.605  -4.124
  253    H    ALA  25           H        ALA  25  -6.718  -0.193  -3.434
  254    HA   ALA  25           HA       ALA  25  -6.642   2.109  -1.970
  255   1HB   ALA  25          1HB       ALA  25  -4.726   0.873  -2.819
  256   2HB   ALA  25          2HB       ALA  25  -5.089   1.351  -4.482
  257   3HB   ALA  25          3HB       ALA  25  -4.590   2.573  -3.282
  258    H    ARG  26           H        ARG  26  -7.367   1.909  -5.481
  259    HA   ARG  26           HA       ARG  26  -7.574   4.687  -5.948
  260   1HB   ARG  26          1HB       ARG  26  -8.903   3.908  -7.994
  261   2HB   ARG  26          2HB       ARG  26  -7.223   3.397  -7.823
  262   1HG   ARG  26          1HG       ARG  26  -7.842   1.185  -7.147
  263   2HG   ARG  26          2HG       ARG  26  -9.569   1.600  -7.101
  264   1HD   ARG  26          1HD       ARG  26  -9.697   1.802  -9.434
  265   2HD   ARG  26          2HD       ARG  26  -7.961   1.954  -9.648
  266    HE   ARG  26           HE       ARG  26  -9.497  -0.509  -9.353
  267   1HH1  ARG  26          1HH1      ARG  26  -6.236   0.920  -9.079
  268   2HH1  ARG  26          2HH1      ARG  26  -5.440  -0.632  -9.136
  269   1HH2  ARG  26          1HH2      ARG  26  -8.410  -2.491  -9.571
  270   2HH2  ARG  26          2HH2      ARG  26  -6.674  -2.570  -9.410
  271    H    ASN  27           H        ASN  27 -10.274   2.340  -5.371
  272    HA   ASN  27           HA       ASN  27 -12.360   4.241  -5.483
  273   1HB   ASN  27          1HB       ASN  27 -12.922   1.823  -5.404
  274   2HB   ASN  27          2HB       ASN  27 -12.009   1.709  -3.926
  275   1HD2  ASN  27          1HD2      ASN  27 -14.920   3.230  -5.381
  276   2HD2  ASN  27          2HD2      ASN  27 -15.845   3.309  -3.899
  277    H    CYS  28           H        CYS  28 -10.373   3.094  -2.799
  278    HA   CYS  28           HA       CYS  28 -11.505   3.851  -0.559
  279   1HB   CYS  28          1HB       CYS  28  -9.143   2.952  -0.960
  280   2HB   CYS  28          2HB       CYS  28  -8.615   4.633  -0.982
  281    H    ARG  29           H        ARG  29 -12.746   5.588  -0.102
  282    HA   ARG  29           HA       ARG  29 -11.926   8.316  -0.837
  283   1HB   ARG  29          1HB       ARG  29 -14.323   7.287   0.728
  284   2HB   ARG  29          2HB       ARG  29 -14.019   8.969   0.247
  285   1HG   ARG  29          1HG       ARG  29 -13.888   8.151  -2.168
  286   2HG   ARG  29          2HG       ARG  29 -14.519   6.596  -1.601
  287   1HD   ARG  29          1HD       ARG  29 -15.867   9.318  -1.299
  288   2HD   ARG  29          2HD       ARG  29 -16.296   8.076  -2.490
  289    HE   ARG  29           HE       ARG  29 -16.430   6.868   0.048
  290   1HH1  ARG  29          1HH1      ARG  29 -18.116   9.419  -1.755
  291   2HH1  ARG  29          2HH1      ARG  29 -19.629   9.187  -0.920
  292   1HH2  ARG  29          1HH2      ARG  29 -18.421   6.576   1.141
  293   2HH2  ARG  29          2HH2      ARG  29 -19.803   7.559   0.736
  294    H    ALA  30           H        ALA  30  -9.873   7.612   0.369
  295    HA   ALA  30           HA       ALA  30  -9.853   9.057   2.888
  296   1HB   ALA  30          1HB       ALA  30 -10.048   6.660   3.613
  297   2HB   ALA  30          2HB       ALA  30  -8.571   6.294   2.688
  298   3HB   ALA  30          3HB       ALA  30  -8.503   7.386   4.074
  299    HA   PRO  31           HA       PRO  31  -6.258  10.742   0.920
  300   1HB   PRO  31          1HB       PRO  31  -4.726  10.275   3.481
  301   2HB   PRO  31          2HB       PRO  31  -4.867  11.776   2.524
  302   1HG   PRO  31          1HG       PRO  31  -6.292  11.486   4.814
  303   2HG   PRO  31          2HG       PRO  31  -7.087  12.161   3.358
  304   1HD   PRO  31          1HD       PRO  31  -7.180   9.295   4.354
  305   2HD   PRO  31          2HD       PRO  31  -8.531  10.337   3.879
  306    H    ARG  32           H        ARG  32  -4.732   9.752  -0.446
  307    HA   ARG  32           HA       ARG  32  -4.184   6.906   0.105
  308   1HB   ARG  32          1HB       ARG  32  -3.386   6.810  -2.227
  309   2HB   ARG  32          2HB       ARG  32  -5.108   7.019  -1.976
  310   1HG   ARG  32          1HG       ARG  32  -3.309   9.372  -2.513
  311   2HG   ARG  32          2HG       ARG  32  -3.879   8.347  -3.830
  312   1HD   ARG  32          1HD       ARG  32  -5.963   9.543  -1.938
  313   2HD   ARG  32          2HD       ARG  32  -5.212  10.523  -3.186
  314    HE   ARG  32           HE       ARG  32  -6.318   9.483  -4.816
  315   1HH1  ARG  32          1HH1      ARG  32  -7.120   7.812  -1.774
  316   2HH1  ARG  32          2HH1      ARG  32  -8.438   6.929  -2.494
  317   1HH2  ARG  32          1HH2      ARG  32  -7.937   8.234  -5.747
  318   2HH2  ARG  32          2HH2      ARG  32  -8.866   7.116  -4.786
  319    H    LYS  33           H        LYS  33  -2.180   5.977  -0.001
  320    HA   LYS  33           HA       LYS  33  -0.158   7.536   1.328
  321   1HB   LYS  33          1HB       LYS  33  -1.292   5.140   1.670
  322   2HB   LYS  33          2HB       LYS  33  -0.047   4.626   0.550
  323   1HG   LYS  33          1HG       LYS  33   0.398   6.105   3.166
  324   2HG   LYS  33          2HG       LYS  33   0.324   4.337   3.006
  325   1HD   LYS  33          1HD       LYS  33   2.254   4.358   1.468
  326   2HD   LYS  33          2HD       LYS  33   2.432   6.112   1.719
  327   1HE   LYS  33          1HE       LYS  33   2.820   5.778   4.112
  328   2HE   LYS  33          2HE       LYS  33   2.463   4.045   3.972
  329   1HZ   LYS  33          1HZ       LYS  33   4.721   5.395   2.687
  330   2HZ   LYS  33          2HZ       LYS  33   4.809   4.457   4.035
  331   3HZ   LYS  33          3HZ       LYS  33   4.372   3.781   2.607
  332    H    LYS  34           H        LYS  34   1.732   8.186   0.423
  333    HA   LYS  34           HA       LYS  34   2.123   7.932  -2.473
  334   1HB   LYS  34          1HB       LYS  34   3.624   9.479  -0.321
  335   2HB   LYS  34          2HB       LYS  34   3.917   9.579  -2.066
  336   1HG   LYS  34          1HG       LYS  34   1.610  10.415  -2.412
  337   2HG   LYS  34          2HG       LYS  34   1.314  10.335  -0.661
  338   1HD   LYS  34          1HD       LYS  34   3.207  11.904  -0.275
  339   2HD   LYS  34          2HD       LYS  34   3.474  12.004  -2.028
  340   1HE   LYS  34          1HE       LYS  34   1.187  12.929  -2.321
  341   2HE   LYS  34          2HE       LYS  34   0.921  12.828  -0.568
  342   1HZ   LYS  34          1HZ       LYS  34   2.973  14.455  -1.899
  343   2HZ   LYS  34          2HZ       LYS  34   1.569  15.014  -1.243
  344   3HZ   LYS  34          3HZ       LYS  34   2.729  14.361  -0.271
  345    H    GLY  35           H        GLY  35   3.976   7.317   0.543
  346   1HA   GLY  35          1HA       GLY  35   6.247   6.117  -0.706
  347   2HA   GLY  35          2HA       GLY  35   5.783   6.081   1.007
  348    H    CYS  36           H        CYS  36   6.851   3.910   0.669
  349    HA   CYS  36           HA       CYS  36   5.689   1.854  -0.836
  350   1HB   CYS  36          1HB       CYS  36   7.983   1.951   0.098
  351   2HB   CYS  36          2HB       CYS  36   7.312   1.641   1.708
  352    H    TRP  37           H        TRP  37   3.768   0.688  -0.541
  353    HA   TRP  37           HA       TRP  37   2.157   0.947   1.773
  354   1HB   TRP  37          1HB       TRP  37   2.305  -0.643  -0.795
  355   2HB   TRP  37          2HB       TRP  37   1.154  -1.089   0.410
  356    HD1  TRP  37           HD1      TRP  37   0.721   2.252   0.871
  357    HE1  TRP  37           HE1      TRP  37  -0.930   3.431  -0.737
  358    HE3  TRP  37           HE3      TRP  37   0.642  -1.207  -2.866
  359    HZ2  TRP  37           HZ2      TRP  37  -2.096   2.932  -3.281
  360    HZ3  TRP  37           HZ3      TRP  37  -0.639  -0.773  -4.939
  361    HH2  TRP  37           HH2      TRP  37  -2.043   1.236  -5.154
  362    H    LYS  38           H        LYS  38   4.093  -1.835   0.498
  363    HA   LYS  38           HA       LYS  38   3.380  -3.462   2.710
  364   1HB   LYS  38          1HB       LYS  38   4.006  -4.378   0.557
  365   2HB   LYS  38          2HB       LYS  38   5.648  -3.793   0.688
  366   1HG   LYS  38          1HG       LYS  38   5.588  -6.143   1.206
  367   2HG   LYS  38          2HG       LYS  38   5.953  -5.287   2.708
  368   1HD   LYS  38          1HD       LYS  38   3.576  -5.557   3.431
  369   2HD   LYS  38          2HD       LYS  38   3.185  -6.281   1.862
  370   1HE   LYS  38          1HE       LYS  38   3.393  -8.038   3.509
  371   2HE   LYS  38          2HE       LYS  38   4.748  -8.165   2.373
  372   1HZ   LYS  38          1HZ       LYS  38   6.099  -7.016   4.005
  373   2HZ   LYS  38          2HZ       LYS  38   4.830  -6.956   5.053
  374   3HZ   LYS  38          3HZ       LYS  38   5.484  -8.407   4.622
  375    H    CYS  39           H        CYS  39   6.704  -2.402   1.916
  376    HA   CYS  39           HA       CYS  39   7.596  -2.987   4.540
  377   1HB   CYS  39          1HB       CYS  39   9.652  -2.666   3.953
  378   2HB   CYS  39          2HB       CYS  39   8.967  -2.813   2.351
  379    H    GLY  40           H        GLY  40   6.300   0.079   3.254
  380   1HA   GLY  40          1HA       GLY  40   5.218   1.532   4.778
  381   2HA   GLY  40          2HA       GLY  40   6.364   1.128   6.044
  382    H    LYS  41           H        LYS  41   8.770   1.387   4.504
  383    HA   LYS  41           HA       LYS  41   9.329   4.106   5.044
  384   1HB   LYS  41          1HB       LYS  41  10.816   2.084   3.355
  385   2HB   LYS  41          2HB       LYS  41  11.457   3.680   3.810
  386   1HG   LYS  41          1HG       LYS  41  11.366   3.117   6.149
  387   2HG   LYS  41          2HG       LYS  41  10.631   1.530   5.812
  388   1HD   LYS  41          1HD       LYS  41  12.665   0.880   4.536
  389   2HD   LYS  41          2HD       LYS  41  13.388   2.466   4.882
  390   1HE   LYS  41          1HE       LYS  41  13.267   1.965   7.327
  391   2HE   LYS  41          2HE       LYS  41  12.585   0.370   6.953
  392   1HZ   LYS  41          1HZ       LYS  41  14.605  -0.129   5.756
  393   2HZ   LYS  41          2HZ       LYS  41  15.241   1.336   6.152
  394   3HZ   LYS  41          3HZ       LYS  41  14.919   0.234   7.333
  395    H    GLU  42           H        GLU  42   9.235   5.923   3.863
  396    HA   GLU  42           HA       GLU  42   7.963   5.763   1.209
  397   1HB   GLU  42          1HB       GLU  42   7.419   8.090   1.485
  398   2HB   GLU  42          2HB       GLU  42   6.964   7.186   2.921
  399   1HG   GLU  42          1HG       GLU  42   8.955   8.026   4.119
  400   2HG   GLU  42          2HG       GLU  42   9.476   8.896   2.666
  401    H    GLY  43           H        GLY  43   8.707   7.997  -0.051
  402   1HA   GLY  43          1HA       GLY  43  10.435   9.007  -1.254
  403   2HA   GLY  43          2HA       GLY  43  11.631   7.924  -0.525
  404    H    HIS  44           H        HIS  44  10.153   5.500  -0.969
  405    HA   HIS  44           HA       HIS  44  10.135   5.159  -3.931
  406   1HB   HIS  44          1HB       HIS  44  11.168   2.985  -3.575
  407   2HB   HIS  44          2HB       HIS  44  12.190   4.244  -2.891
  408    HD1  HIS  44           HD1      HIS  44  12.420   4.325  -0.266
  409    HD2  HIS  44           HD2      HIS  44  10.030   1.198  -1.697
  410    HE1  HIS  44           HE1      HIS  44  12.104   2.692   1.645
  411    H    GLN  45           H        GLN  45   8.656   3.546  -4.675
  412    HA   GLN  45           HA       GLN  45   6.223   3.256  -3.018
  413   1HB   GLN  45          1HB       GLN  45   6.850   2.477  -5.894
  414   2HB   GLN  45          2HB       GLN  45   5.260   2.383  -5.138
  415   1HG   GLN  45          1HG       GLN  45   5.097   4.779  -4.941
  416   2HG   GLN  45          2HG       GLN  45   6.792   5.004  -5.394
  417   1HE2  GLN  45          1HE2      GLN  45   3.759   3.528  -6.726
  418   2HE2  GLN  45          2HE2      GLN  45   4.130   3.927  -8.393
  419    H    MET  46           H        MET  46   5.130   1.031  -3.187
  420    HA   MET  46           HA       MET  46   6.809  -1.055  -2.164
  421   1HB   MET  46          1HB       MET  46   4.521  -0.740  -1.542
  422   2HB   MET  46          2HB       MET  46   3.959  -1.048  -3.158
  423   1HG   MET  46          1HG       MET  46   5.200  -3.416  -2.746
  424   2HG   MET  46          2HG       MET  46   5.152  -2.864  -1.089
  425   1HE   MET  46          1HE       MET  46   3.238  -4.187  -4.162
  426   2HE   MET  46          2HE       MET  46   1.525  -4.020  -3.719
  427   3HE   MET  46          3HE       MET  46   2.483  -2.576  -4.107
  428    H    LYS  47           H        LYS  47   5.628  -0.260  -5.385
  429    HA   LYS  47           HA       LYS  47   6.492  -2.578  -6.783
  430   1HB   LYS  47          1HB       LYS  47   6.208   0.355  -7.516
  431   2HB   LYS  47          2HB       LYS  47   6.720  -0.840  -8.708
  432   1HG   LYS  47          1HG       LYS  47   4.159  -1.195  -7.110
  433   2HG   LYS  47          2HG       LYS  47   4.223  -0.229  -8.596
  434   1HD   LYS  47          1HD       LYS  47   5.130  -2.148  -9.851
  435   2HD   LYS  47          2HD       LYS  47   5.029  -3.176  -8.414
  436   1HE   LYS  47          1HE       LYS  47   2.659  -1.763  -9.715
  437   2HE   LYS  47          2HE       LYS  47   3.129  -3.437 -10.036
  438   1HZ   LYS  47          1HZ       LYS  47   2.795  -3.934  -7.728
  439   2HZ   LYS  47          2HZ       LYS  47   2.296  -2.389  -7.429
  440   3HZ   LYS  47          3HZ       LYS  47   1.426  -3.359  -8.442
  441    H    ASP  48           H        ASP  48   8.168   0.509  -6.088
  442    HA   ASP  48           HA       ASP  48  10.611  -0.068  -7.398
  443   1HB   ASP  48          1HB       ASP  48  10.013   1.777  -5.067
  444   2HB   ASP  48          2HB       ASP  48  11.408   1.894  -6.130
  445    H    CYS  49           H        CYS  49   9.578  -0.313  -4.060
  446    HA   CYS  49           HA       CYS  49  11.551  -0.551  -2.427
  447   1HB   CYS  49          1HB       CYS  49   9.093  -1.073  -2.031
  448   2HB   CYS  49          2HB       CYS  49   9.487  -2.734  -2.490
  449    H    THR  50           H        THR  50  13.325  -1.572  -1.986
  450    HA   THR  50           HA       THR  50  13.961  -4.274  -3.090
  451    HB   THR  50           HB       THR  50  16.319  -3.539  -2.812
  452    HG1  THR  50           HG1      THR  50  16.680  -1.337  -2.367
  453   1HG2  THR  50          1HG2      THR  50  14.690  -1.567  -4.483
  454   2HG2  THR  50          2HG2      THR  50  16.397  -1.997  -4.697
  455   3HG2  THR  50          3HG2      THR  50  15.135  -3.213  -4.989
  456    H    GLU  51           H        GLU  51  12.961  -2.647  -0.324
  457    HA   GLU  51           HA       GLU  51  14.732  -3.715   1.672
  458   1HB   GLU  51          1HB       GLU  51  12.009  -2.384   1.745
  459   2HB   GLU  51          2HB       GLU  51  12.842  -2.899   3.194
  460   1HG   GLU  51          1HG       GLU  51  14.080  -1.003   1.134
  461   2HG   GLU  51          2HG       GLU  51  13.076  -0.445   2.475
  462    H    ARG  52           H        ARG  52  11.221  -4.197   1.668
  463    HA   ARG  52           HA       ARG  52   9.892  -5.873   2.235
  464   1HB   ARG  52          1HB       ARG  52  10.989  -6.771   0.124
  465   2HB   ARG  52          2HB       ARG  52  11.883  -7.885   1.154
  466   1HG   ARG  52          1HG       ARG  52   8.854  -7.557   0.901
  467   2HG   ARG  52          2HG       ARG  52   9.823  -8.862   0.212
  468   1HD   ARG  52          1HD       ARG  52   9.265  -8.369   3.166
  469   2HD   ARG  52          2HD       ARG  52   8.635  -9.676   2.156
  470    HE   ARG  52           HE       ARG  52  11.461  -9.775   2.051
  471   1HH1  ARG  52          1HH1      ARG  52   8.871 -10.298   4.437
  472   2HH1  ARG  52          2HH1      ARG  52   9.834 -11.383   5.406
  473   1HH2  ARG  52          1HH2      ARG  52  12.709 -11.151   3.365
  474   2HH2  ARG  52          2HH2      ARG  52  12.025 -11.860   4.805
  475    H    GLN  53           H        GLN  53  10.217  -5.264   4.370
  476    HA   GLN  53           HA       GLN  53  10.711  -5.483   6.582
  477   1HB   GLN  53          1HB       GLN  53  10.527  -8.388   5.723
  478   2HB   GLN  53          2HB       GLN  53  10.410  -7.807   7.397
  479   1HG   GLN  53          1HG       GLN  53   8.376  -6.583   6.907
  480   2HG   GLN  53          2HG       GLN  53   8.524  -6.905   5.174
  481   1HE2  GLN  53          1HE2      GLN  53   8.286  -8.674   8.315
  482   2HE2  GLN  53          2HE2      GLN  53   7.323  -9.987   7.674
  483    H    ALA  54           H        ALA  54  12.886  -4.550   5.945
  484    HA   ALA  54           HA       ALA  54  15.194  -6.297   5.862
  485   1HB   ALA  54          1HB       ALA  54  15.106  -4.182   4.633
  486   2HB   ALA  54          2HB       ALA  54  14.949  -3.278   6.153
  487   3HB   ALA  54          3HB       ALA  54  16.441  -4.179   5.801
  488    H    ASN  55           H        ASN  55  14.397  -7.391   7.915
  489    HA   ASN  55           HA       ASN  55  16.051  -6.587  10.156
  490   1HB   ASN  55          1HB       ASN  55  14.067  -5.174  10.563
  491   2HB   ASN  55          2HB       ASN  55  13.004  -6.575  10.430
  492   1HD2  ASN  55          1HD2      ASN  55  13.485  -8.404  12.028
  493   2HD2  ASN  55          2HD2      ASN  55  13.916  -7.928  13.665
  Start of MODEL    8
    1   1H5*    G 101          1H5*        G 101 -21.332   5.490  -7.724
    2   2H5*    G 101          2H5*        G 101 -20.684   4.204  -6.677
    3    H4*    G 101           H4*        G 101 -22.178   3.935  -9.237
    4    H3*    G 101           H3*        G 101 -22.439   2.789  -6.781
    5    H1*    G 101           H1*        G 101 -19.970   0.797  -9.033
    6    H8     G 101           H8         G 101 -18.741   1.249  -6.075
    7    H1     G 101           H1         G 101 -14.343   3.855  -9.979
    8   1H2     G 101          1H2         G 101 -15.199   4.044 -12.037
    9   2H2     G 101          2H2         G 101 -16.836   3.545 -12.417
   10    H5T    G 101           H5T        G 101 -19.049   5.470  -7.488
   11   1H2*    G 101          1H2*        G 101 -20.512   2.001  -6.578
   12   2H2*    G 101          2H2*        G 101 -21.113   0.541  -7.155
   13   1H5*    T 102          1H5*        T 102 -25.041  -1.358  -8.961
   14   2H5*    T 102          2H5*        T 102 -25.534  -1.697  -7.294
   15    H4*    T 102           H4*        T 102 -24.581  -3.705  -7.900
   16    H3*    T 102           H3*        T 102 -22.967  -2.330  -6.070
   17   1H2*    T 102          1H2*        T 102 -21.500  -1.496  -7.735
   18   2H2*    T 102          2H2*        T 102 -20.604  -2.957  -7.312
   19    H1*    T 102           H1*        T 102 -21.678  -4.211  -9.044
   20    H3     T 102           H3         T 102 -19.690  -3.232 -13.052
   21   1H5M    T 102          1H5M        T 102 -21.782   1.363 -11.096
   22   2H5M    T 102          2H5M        T 102 -21.340   1.156 -12.794
   23   3H5M    T 102          3H5M        T 102 -20.073   1.485 -11.599
   24    H6     T 102           H6         T 102 -21.716  -0.490  -9.646
   25   1H5*    C 103          1H5*        C 103 -21.104  -6.295  -7.560
   26   2H5*    C 103          2H5*        C 103 -20.137  -7.116  -6.319
   27    H4*    C 103           H4*        C 103 -18.970  -6.962  -8.469
   28    H3*    C 103           H3*        C 103 -17.792  -5.722  -6.029
   29    H1*    C 103           H1*        C 103 -17.466  -5.559  -9.736
   30   1H4     C 103          1H4         C 103 -16.886   0.074 -12.791
   31   2H4     C 103          2H4         C 103 -17.511   0.969 -11.415
   32    H5     C 103           H5         C 103 -18.081  -0.157  -9.270
   33    H6     C 103           H6         C 103 -18.367  -2.268  -8.183
   34   1H2*    C 103          1H2*        C 103 -17.066  -3.866  -7.253
   35   2H2*    C 103          2H2*        C 103 -15.943  -4.957  -8.039
   36   1H5*    C 104          1H5*        C 104 -15.393  -7.669  -9.483
   37   2H5*    C 104          2H5*        C 104 -14.077  -8.681  -8.854
   38    H4*    C 104           H4*        C 104 -13.355  -7.489 -10.860
   39    H3*    C 104           H3*        C 104 -11.982  -7.254  -8.312
   40    H1*    C 104           H1*        C 104 -12.274  -4.996 -11.260
   41   1H4     C 104          1H4         C 104 -14.465   0.966 -10.968
   42   2H4     C 104          2H4         C 104 -15.387   0.667  -9.498
   43    H5     C 104           H5         C 104 -15.295  -1.569  -8.304
   44    H6     C 104           H6         C 104 -14.285  -3.729  -8.382
   45   1H2*    C 104          1H2*        C 104 -12.180  -4.930  -8.233
   46   2H2*    C 104          2H2*        C 104 -10.814  -4.957  -9.373
   47   1H5*    C 105          1H5*        C 105  -9.100  -5.891 -11.900
   48   2H5*    C 105          2H5*        C 105  -7.512  -6.549 -11.463
   49    H4*    C 105           H4*        C 105  -7.164  -4.249 -11.973
   50    H3*    C 105           H3*        C 105  -6.541  -5.179  -9.341
   51    H1*    C 105           H1*        C 105  -7.641  -1.920 -10.416
   52   1H4     C 105          1H4         C 105 -12.454   1.742  -8.444
   53   2H4     C 105          2H4         C 105 -12.950   0.541  -7.257
   54    H5     C 105           H5         C 105 -12.028  -1.752  -7.258
   55    H6     C 105           H6         C 105 -10.371  -3.167  -8.167
   56   1H2*    C 105          1H2*        C 105  -8.492  -4.124  -8.459
   57   2H2*    C 105          2H2*        C 105  -7.255  -2.859  -8.178
   58   1H5*    T 106          1H5*        T 106  -4.911  -1.149 -10.925
   59   2H5*    T 106          2H5*        T 106  -3.356  -1.041 -11.731
   60    H4*    T 106           H4*        T 106  -3.565   0.762 -10.090
   61    H3*    T 106           H3*        T 106  -1.680  -1.414  -9.370
   62   1H2*    T 106          1H2*        T 106  -1.349  -0.380  -7.020
   63   2H2*    T 106          2H2*        T 106  -2.284   0.966  -7.539
   64    H1*    T 106           H1*        T 106  -4.002  -0.193  -6.609
   65    H3     T 106           H3         T 106  -2.200  -5.119  -7.434
   66   1H5M    T 106          1H5M        T 106  -7.180  -4.232  -6.268
   67   2H5M    T 106          2H5M        T 106  -6.458  -3.679  -4.735
   68   3H5M    T 106          3H5M        T 106  -6.267  -5.359  -5.251
   69    H6     T 106           H6         T 106  -5.549  -1.874  -6.299
   70   1H5*    G 107          1H5*        G 107   1.955   2.300 -10.940
   71   2H5*    G 107          2H5*        G 107   2.788   2.270  -9.393
   72    H4*    G 107           H4*        G 107   0.170   3.484 -10.055
   73    H3*    G 107           H3*        G 107   2.180   3.912  -7.767
   74    H1*    G 107           H1*        G 107  -1.353   3.446  -7.066
   75    H8     G 107           H8         G 107  -0.919   4.208  -4.689
   76    H1     G 107           H1         G 107   4.169   0.362  -4.293
   77   1H2     G 107          1H2         G 107   4.777  -0.277  -6.412
   78   2H2     G 107          2H2         G 107   3.861   0.260  -7.803
   79   1H2*    G 107          1H2*        G 107   0.354   5.521  -6.995
   80   2H2*    G 107          2H2*        G 107  -0.374   5.181  -8.562
   81   1H5*    T 108          1H5*        T 108   1.120   7.489 -11.068
   82   2H5*    T 108          2H5*        T 108   1.511   9.067 -10.348
   83    H4*    T 108           H4*        T 108  -0.845   9.077 -10.985
   84    H3*    T 108           H3*        T 108  -0.025   9.354  -8.245
   85   1H2*    T 108          1H2*        T 108  -1.123   7.437  -7.552
   86   2H2*    T 108          2H2*        T 108  -2.568   8.497  -7.505
   87    H1*    T 108           H1*        T 108  -3.120   7.928  -9.803
   88    H3     T 108           H3         T 108  -4.398   3.503 -10.653
   89   1H5M    T 108          1H5M        T 108  -3.126   4.216  -5.442
   90   2H5M    T 108          2H5M        T 108  -4.873   4.144  -5.723
   91   3H5M    T 108          3H5M        T 108  -3.863   2.727  -6.058
   92    H6     T 108           H6         T 108  -2.632   5.976  -6.941
   93   1H5*    T 109          1H5*        T 109  -2.223  12.938 -10.000
   94   2H5*    T 109          2H5*        T 109  -3.014  14.172  -9.006
   95    H4*    T 109           H4*        T 109  -4.274  13.466 -11.068
   96    H3*    T 109           H3*        T 109  -5.426  13.959  -8.546
   97   1H2*    T 109          1H2*        T 109  -5.534  11.700  -8.015
   98   2H2*    T 109          2H2*        T 109  -7.168  11.845  -8.675
   99    H1*    T 109           H1*        T 109  -6.385  11.340 -10.921
  100    H3     T 109           H3         T 109  -6.698   6.866 -11.439
  101   1H5M    T 109          1H5M        T 109  -4.408   7.390  -6.730
  102   2H5M    T 109          2H5M        T 109  -6.115   7.666  -6.299
  103   3H5M    T 109          3H5M        T 109  -5.629   6.121  -6.964
  104    H6     T 109           H6         T 109  -5.190   9.666  -7.844
  105   1H5*    C 110          1H5*        C 110  -7.578  12.618 -12.282
  106   2H5*    C 110          2H5*        C 110  -9.143  13.358 -12.616
  107    H4*    C 110           H4*        C 110  -8.723  10.833 -13.191
  108    H3*    C 110           H3*        C 110 -11.177  12.038 -11.932
  109    H1*    C 110           H1*        C 110  -9.491   8.591 -12.231
  110   1H4     C 110          1H4         C 110 -10.995   6.575  -6.040
  111   2H4     C 110          2H4         C 110 -12.029   5.575  -7.039
  112    H5     C 110           H5         C 110 -12.113   5.781  -9.475
  113    H6     C 110           H6         C 110 -11.366   7.104 -11.363
  114   1H2*    C 110          1H2*        C 110 -11.828  10.059 -11.093
  115   2H2*    C 110          2H2*        C 110 -11.628   9.232 -12.654
  116   1H5*    G 111          1H5*        G 111 -10.299   9.489 -15.646
  117   2H5*    G 111          2H5*        G 111 -11.426   9.833 -16.974
  118    H4*    G 111           H4*        G 111 -10.686   7.503 -17.052
  119    H3*    G 111           H3*        G 111 -13.425   8.297 -17.125
  120    H1*    G 111           H1*        G 111 -11.978   5.264 -15.702
  121    H8     G 111           H8         G 111 -14.120   6.697 -13.026
  122    H1     G 111           H1         G 111 -10.731   1.651 -10.976
  123   1H2     G 111          1H2         G 111  -9.248   1.045 -12.566
  124   2H2     G 111          2H2         G 111  -9.105   1.895 -14.100
  125   1H2*    G 111          1H2*        G 111 -13.653   7.666 -14.856
  126   2H2*    G 111          2H2*        G 111 -14.302   6.203 -15.609
  127   1H5*    G 112          1H5*        G 112 -10.029   5.884 -18.689
  128   2H5*    G 112          2H5*        G 112  -9.829   5.593 -20.427
  129    H4*    G 112           H4*        G 112  -8.930   3.705 -19.241
  130    H3*    G 112           H3*        G 112 -11.041   3.314 -21.084
  131    H1*    G 112           H1*        G 112 -10.517   1.456 -17.885
  132    H8     G 112           H8         G 112 -13.557   3.866 -17.357
  133    H1     G 112           H1         G 112 -12.608  -0.410 -12.647
  134   1H2     G 112          1H2         G 112 -10.917  -1.815 -13.271
  135   2H2     G 112          2H2         G 112 -10.019  -1.568 -14.757
  136   1H2*    G 112          1H2*        G 112 -12.665   2.960 -19.396
  137   2H2*    G 112          2H2*        G 112 -12.139   1.279 -19.655
  138   1H5*    G 113          1H5*        G 113  -8.808  -0.521 -19.151
  139   2H5*    G 113          2H5*        G 113  -8.583  -1.670 -20.486
  140    H4*    G 113           H4*        G 113  -9.023  -2.880 -18.431
  141    H3*    G 113           H3*        G 113 -10.524  -3.281 -20.807
  142    H1*    G 113           H1*        G 113 -11.707  -3.527 -17.286
  143    H8     G 113           H8         G 113 -13.359  -0.355 -18.859
  144    H1     G 113           H1         G 113 -15.767  -2.117 -13.191
  145   1H2     G 113          1H2         G 113 -14.948  -4.112 -12.606
  146   2H2     G 113          2H2         G 113 -13.584  -4.821 -13.449
  147   1H2*    G 113          1H2*        G 113 -12.443  -2.225 -19.926
  148   2H2*    G 113          2H2*        G 113 -12.802  -3.893 -19.432
  149   1H5*    C 114          1H5*        C 114 -11.145  -6.528 -17.147
  150   2H5*    C 114          2H5*        C 114 -11.505  -8.076 -17.941
  151    H4*    C 114           H4*        C 114 -12.979  -7.790 -16.017
  152    H3*    C 114           H3*        C 114 -14.434  -7.396 -18.680
  153    H1*    C 114           H1*        C 114 -15.143  -6.072 -15.148
  154   1H4     C 114          1H4         C 114 -18.170  -1.008 -17.676
  155   2H4     C 114          2H4         C 114 -17.238  -1.112 -19.154
  156    H5     C 114           H5         C 114 -15.664  -2.979 -19.604
  157    H6     C 114           H6         C 114 -14.671  -4.959 -18.664
  158    H3T    C 114           H3T        C 114 -13.489  -9.459 -18.261
  159   1H2*    C 114          1H2*        C 114 -16.429  -7.248 -17.418
  160   2H2*    C 114          2H2*        C 114 -15.686  -8.068 -16.017
  161   1H    ASN  12          1H        ASN  12 -12.974 -10.529  -6.435
  162   2H    ASN  12          2H        ASN  12 -13.276  -8.945  -6.916
  163   3H    ASN  12          3H        ASN  12 -11.705  -9.544  -6.930
  164    HA   ASN  12           HA       ASN  12 -13.094  -8.262  -4.908
  165   1HB   ASN  12          1HB       ASN  12 -12.801  -9.736  -3.029
  166   2HB   ASN  12          2HB       ASN  12 -13.839 -10.515  -4.226
  167   1HD2  ASN  12          1HD2      ASN  12 -13.013 -12.362  -5.412
  168   2HD2  ASN  12          2HD2      ASN  12 -11.566 -13.195  -4.886
  169    H    VAL  13           H        VAL  13 -11.701  -7.344  -3.393
  170    HA   VAL  13           HA       VAL  13  -8.771  -7.500  -3.874
  171    HB   VAL  13           HB       VAL  13  -8.824  -4.966  -3.962
  172   1HG1  VAL  13          1HG1      VAL  13  -8.569  -6.233  -6.060
  173   2HG1  VAL  13          2HG1      VAL  13 -10.339  -6.242  -6.266
  174   3HG1  VAL  13          3HG1      VAL  13  -9.458  -4.713  -6.280
  175   1HG2  VAL  13          1HG2      VAL  13 -11.126  -4.683  -2.982
  176   2HG2  VAL  13          2HG2      VAL  13 -10.895  -3.804  -4.495
  177   3HG2  VAL  13          3HG2      VAL  13 -11.812  -5.304  -4.501
  178    H    LYS  14           H        LYS  14  -7.747  -5.864  -2.278
  179    HA   LYS  14           HA       LYS  14  -9.222  -5.467   0.202
  180   1HB   LYS  14          1HB       LYS  14  -6.589  -6.205   1.002
  181   2HB   LYS  14          2HB       LYS  14  -8.130  -6.692   1.613
  182   1HG   LYS  14          1HG       LYS  14  -7.950  -8.330  -0.621
  183   2HG   LYS  14          2HG       LYS  14  -6.238  -7.941  -0.423
  184   1HD   LYS  14          1HD       LYS  14  -6.740 -10.011   0.710
  185   2HD   LYS  14          2HD       LYS  14  -6.458  -8.800   1.977
  186   1HE   LYS  14          1HE       LYS  14  -8.871  -8.566   2.356
  187   2HE   LYS  14          2HE       LYS  14  -9.233  -9.506   0.896
  188   1HZ   LYS  14          1HZ       LYS  14  -8.329 -11.411   1.989
  189   2HZ   LYS  14          2HZ       LYS  14  -8.004 -10.524   3.350
  190   3HZ   LYS  14          3HZ       LYS  14  -9.566 -10.720   2.839
  191    H    CYS  15           H        CYS  15  -9.131  -3.435   0.619
  192    HA   CYS  15           HA       CYS  15  -7.625  -1.632  -0.934
  193   1HB   CYS  15          1HB       CYS  15  -9.797  -1.132   0.068
  194   2HB   CYS  15          2HB       CYS  15  -9.100  -1.276   1.685
  195    H    PHE  16           H        PHE  16  -5.454  -1.311  -0.796
  196    HA   PHE  16           HA       PHE  16  -3.728  -1.876   1.335
  197   1HB   PHE  16          1HB       PHE  16  -3.402   0.429  -0.608
  198   2HB   PHE  16          2HB       PHE  16  -2.147  -0.451   0.189
  199    HD1  PHE  16           HD1      PHE  16  -1.345  -2.626  -0.776
  200    HD2  PHE  16           HD2      PHE  16  -4.769  -0.619  -2.449
  201    HE1  PHE  16           HE1      PHE  16  -0.732  -3.431  -3.047
  202    HE2  PHE  16           HE2      PHE  16  -4.033  -1.179  -4.669
  203    HZ   PHE  16           HZ       PHE  16  -1.876  -2.375  -5.021
  204    H    ASN  17           H        ASN  17  -5.610   1.018   0.547
  205    HA   ASN  17           HA       ASN  17  -4.456   2.705   2.551
  206   1HB   ASN  17          1HB       ASN  17  -5.294   3.298   0.237
  207   2HB   ASN  17          2HB       ASN  17  -6.939   3.161   0.864
  208   1HD2  ASN  17          1HD2      ASN  17  -6.750   5.463  -0.131
  209   2HD2  ASN  17          2HD2      ASN  17  -6.278   6.738   0.970
  210    H    CYS  18           H        CYS  18  -6.651   0.191   3.118
  211    HA   CYS  18           HA       CYS  18  -7.210   1.347   5.681
  212   1HB   CYS  18          1HB       CYS  18  -9.525   1.452   5.775
  213   2HB   CYS  18          2HB       CYS  18  -9.038   2.467   4.442
  214    H    GLY  19           H        GLY  19  -7.837  -1.340   3.425
  215   1HA   GLY  19          1HA       GLY  19  -7.101  -3.540   4.069
  216   2HA   GLY  19          2HA       GLY  19  -7.728  -3.276   5.707
  217    H    LYS  20           H        LYS  20 -10.286  -2.028   4.616
  218    HA   LYS  20           HA       LYS  20 -11.855  -4.386   4.487
  219   1HB   LYS  20          1HB       LYS  20 -12.486  -2.028   5.201
  220   2HB   LYS  20          2HB       LYS  20 -12.616  -1.671   3.498
  221   1HG   LYS  20          1HG       LYS  20 -14.192  -3.749   3.414
  222   2HG   LYS  20          2HG       LYS  20 -14.107  -3.781   5.168
  223   1HD   LYS  20          1HD       LYS  20 -15.210  -1.475   3.498
  224   2HD   LYS  20          2HD       LYS  20 -16.161  -2.700   4.352
  225   1HE   LYS  20          1HE       LYS  20 -15.114  -1.958   6.517
  226   2HE   LYS  20          2HE       LYS  20 -14.314  -0.637   5.639
  227   1HZ   LYS  20          1HZ       LYS  20 -17.212  -1.056   5.840
  228   2HZ   LYS  20          2HZ       LYS  20 -16.333   0.072   6.657
  229   3HZ   LYS  20          3HZ       LYS  20 -16.473   0.168   5.018
  230    H    GLU  21           H        GLU  21 -12.851  -5.395   2.843
  231    HA   GLU  21           HA       GLU  21 -11.468  -5.402   0.296
  232   1HB   GLU  21          1HB       GLU  21 -13.846  -7.087   1.148
  233   2HB   GLU  21          2HB       GLU  21 -12.668  -7.447  -0.095
  234   1HG   GLU  21          1HG       GLU  21 -10.855  -7.538   1.514
  235   2HG   GLU  21          2HG       GLU  21 -11.995  -7.364   2.864
  236    H    GLY  22           H        GLY  22 -13.460  -6.265  -1.343
  237   1HA   GLY  22          1HA       GLY  22 -15.070  -5.585  -2.837
  238   2HA   GLY  22          2HA       GLY  22 -15.596  -4.349  -1.690
  239    H    HIS  23           H        HIS  23 -13.418  -2.740  -1.392
  240    HA   HIS  23           HA       HIS  23 -13.060  -1.542  -4.099
  241   1HB   HIS  23          1HB       HIS  23 -13.225   0.568  -3.063
  242   2HB   HIS  23          2HB       HIS  23 -14.616  -0.376  -2.548
  243    HD1  HIS  23           HD1      HIS  23 -14.657  -1.168   0.008
  244    HD2  HIS  23           HD2      HIS  23 -11.461   1.336  -1.017
  245    HE1  HIS  23           HE1      HIS  23 -13.597  -0.347   2.177
  246    H    THR  24           H        THR  24 -11.194  -0.013  -4.222
  247    HA   THR  24           HA       THR  24  -8.756  -1.260  -3.030
  248    HB   THR  24           HB       THR  24  -7.645  -0.534  -5.118
  249    HG1  THR  24           HG1      THR  24  -9.082   0.149  -6.812
  250   1HG2  THR  24          1HG2      THR  24 -10.092  -2.160  -5.715
  251   2HG2  THR  24          2HG2      THR  24  -8.526  -2.144  -6.549
  252   3HG2  THR  24          3HG2      THR  24  -8.630  -2.764  -4.893
  253    H    ALA  25           H        ALA  25  -6.854   0.329  -3.393
  254    HA   ALA  25           HA       ALA  25  -6.799   2.344  -1.527
  255   1HB   ALA  25          1HB       ALA  25  -5.206   1.763  -4.046
  256   2HB   ALA  25          2HB       ALA  25  -4.822   3.154  -3.009
  257   3HB   ALA  25          3HB       ALA  25  -4.761   1.520  -2.344
  258    H    ARG  26           H        ARG  26  -7.339   2.787  -5.074
  259    HA   ARG  26           HA       ARG  26  -7.403   5.602  -4.956
  260   1HB   ARG  26          1HB       ARG  26  -8.236   5.571  -7.178
  261   2HB   ARG  26          2HB       ARG  26  -7.024   4.292  -7.006
  262   1HG   ARG  26          1HG       ARG  26  -8.814   2.591  -6.888
  263   2HG   ARG  26          2HG       ARG  26 -10.039   3.862  -7.037
  264   1HD   ARG  26          1HD       ARG  26  -9.830   2.982  -9.170
  265   2HD   ARG  26          2HD       ARG  26  -9.014   4.552  -9.209
  266    HE   ARG  26           HE       ARG  26  -7.280   2.241  -8.656
  267   1HH1  ARG  26          1HH1      ARG  26  -8.568   4.358 -11.199
  268   2HH1  ARG  26          2HH1      ARG  26  -7.507   3.723 -12.429
  269   1HH2  ARG  26          1HH2      ARG  26  -5.925   1.409 -10.275
  270   2HH2  ARG  26          2HH2      ARG  26  -6.026   2.001 -11.916
  271    H    ASN  27           H        ASN  27 -10.060   3.229  -4.732
  272    HA   ASN  27           HA       ASN  27 -12.215   5.103  -4.765
  273   1HB   ASN  27          1HB       ASN  27 -12.454   2.718  -5.308
  274   2HB   ASN  27          2HB       ASN  27 -11.982   2.296  -3.659
  275   1HD2  ASN  27          1HD2      ASN  27 -14.545   3.680  -5.692
  276   2HD2  ASN  27          2HD2      ASN  27 -15.810   3.600  -4.485
  277    H    CYS  28           H        CYS  28 -10.228   3.744  -2.185
  278    HA   CYS  28           HA       CYS  28 -11.765   4.164   0.036
  279   1HB   CYS  28          1HB       CYS  28  -9.417   3.135  -0.266
  280   2HB   CYS  28          2HB       CYS  28  -8.803   4.753   0.032
  281    H    ARG  29           H        ARG  29 -12.532   5.871   1.168
  282    HA   ARG  29           HA       ARG  29 -11.722   8.617   0.490
  283   1HB   ARG  29          1HB       ARG  29 -14.103   7.913   0.819
  284   2HB   ARG  29          2HB       ARG  29 -13.749   7.631   2.530
  285   1HG   ARG  29          1HG       ARG  29 -13.041  10.076   2.695
  286   2HG   ARG  29          2HG       ARG  29 -13.462  10.260   0.985
  287   1HD   ARG  29          1HD       ARG  29 -15.283  11.085   2.335
  288   2HD   ARG  29          2HD       ARG  29 -15.808   9.601   1.514
  289    HE   ARG  29           HE       ARG  29 -14.735   8.953   4.081
  290   1HH1  ARG  29          1HH1      ARG  29 -17.581  10.521   2.654
  291   2HH1  ARG  29          2HH1      ARG  29 -18.630  10.123   3.992
  292   1HH2  ARG  29          1HH2      ARG  29 -16.119   8.434   5.829
  293   2HH2  ARG  29          2HH2      ARG  29 -17.792   8.931   5.807
  294    H    ALA  30           H        ALA  30  -9.473   7.869   1.190
  295    HA   ALA  30           HA       ALA  30  -8.960   8.903   3.857
  296   1HB   ALA  30          1HB       ALA  30  -9.237   6.497   4.337
  297   2HB   ALA  30          2HB       ALA  30  -8.049   6.099   3.075
  298   3HB   ALA  30          3HB       ALA  30  -7.545   6.970   4.532
  299    HA   PRO  31           HA       PRO  31  -5.519  10.679   1.745
  300   1HB   PRO  31          1HB       PRO  31  -3.719   9.669   3.956
  301   2HB   PRO  31          2HB       PRO  31  -3.840  11.318   3.279
  302   1HG   PRO  31          1HG       PRO  31  -5.006  10.742   5.657
  303   2HG   PRO  31          2HG       PRO  31  -5.912  11.696   4.441
  304   1HD   PRO  31          1HD       PRO  31  -6.120   8.718   4.987
  305   2HD   PRO  31          2HD       PRO  31  -7.424   9.911   4.852
  306    H    ARG  32           H        ARG  32  -4.389   9.855  -0.037
  307    HA   ARG  32           HA       ARG  32  -3.972   6.950  -0.092
  308   1HB   ARG  32          1HB       ARG  32  -3.518   8.987  -2.253
  309   2HB   ARG  32          2HB       ARG  32  -3.503   7.221  -2.422
  310   1HG   ARG  32          1HG       ARG  32  -5.807   7.008  -2.118
  311   2HG   ARG  32          2HG       ARG  32  -5.989   8.604  -1.365
  312   1HD   ARG  32          1HD       ARG  32  -5.482   9.746  -3.446
  313   2HD   ARG  32          2HD       ARG  32  -5.153   8.203  -4.258
  314    HE   ARG  32           HE       ARG  32  -7.745   7.932  -3.346
  315   1HH1  ARG  32          1HH1      ARG  32  -6.116  10.330  -5.424
  316   2HH1  ARG  32          2HH1      ARG  32  -7.519  10.570  -6.435
  317   1HH2  ARG  32          1HH2      ARG  32  -9.538   8.247  -4.714
  318   2HH2  ARG  32          2HH2      ARG  32  -9.450   9.356  -6.059
  319    H    LYS  33           H        LYS  33  -2.188   6.044   0.314
  320    HA   LYS  33           HA       LYS  33   0.324   7.414   0.806
  321   1HB   LYS  33          1HB       LYS  33  -0.969   5.653   2.204
  322   2HB   LYS  33          2HB       LYS  33  -0.378   4.478   1.048
  323   1HG   LYS  33          1HG       LYS  33   1.171   6.276   2.839
  324   2HG   LYS  33          2HG       LYS  33   0.949   4.512   3.019
  325   1HD   LYS  33          1HD       LYS  33   2.164   4.221   0.800
  326   2HD   LYS  33          2HD       LYS  33   2.608   5.939   0.895
  327   1HE   LYS  33          1HE       LYS  33   3.319   3.808   2.958
  328   2HE   LYS  33          2HE       LYS  33   4.405   4.455   1.719
  329   1HZ   LYS  33          1HZ       LYS  33   4.165   6.615   2.714
  330   2HZ   LYS  33          2HZ       LYS  33   3.204   5.993   3.905
  331   3HZ   LYS  33          3HZ       LYS  33   4.776   5.509   3.769
  332    H    LYS  34           H        LYS  34   1.615   7.739  -0.961
  333    HA   LYS  34           HA       LYS  34   1.328   6.130  -3.382
  334   1HB   LYS  34          1HB       LYS  34   1.413   8.632  -3.248
  335   2HB   LYS  34          2HB       LYS  34   3.128   8.522  -2.830
  336   1HG   LYS  34          1HG       LYS  34   3.622   7.386  -4.949
  337   2HG   LYS  34          2HG       LYS  34   1.908   7.295  -5.348
  338   1HD   LYS  34          1HD       LYS  34   3.639   9.802  -5.150
  339   2HD   LYS  34          2HD       LYS  34   2.988   9.059  -6.612
  340   1HE   LYS  34          1HE       LYS  34   1.502  10.626  -4.482
  341   2HE   LYS  34          2HE       LYS  34   1.592  10.908  -6.225
  342   1HZ   LYS  34          1HZ       LYS  34   0.385   8.781  -6.460
  343   2HZ   LYS  34          2HZ       LYS  34   0.123   8.781  -4.840
  344   3HZ   LYS  34          3HZ       LYS  34  -0.493   9.994  -5.773
  345    H    GLY  35           H        GLY  35   3.681   6.550  -0.798
  346   1HA   GLY  35          1HA       GLY  35   6.044   5.652  -2.030
  347   2HA   GLY  35          2HA       GLY  35   5.653   5.718  -0.309
  348    H    CYS  36           H        CYS  36   6.437   3.827   0.505
  349    HA   CYS  36           HA       CYS  36   5.800   1.279  -0.820
  350   1HB   CYS  36          1HB       CYS  36   8.069   1.708   0.070
  351   2HB   CYS  36          2HB       CYS  36   7.379   1.794   1.700
  352    H    TRP  37           H        TRP  37   3.615   0.771  -0.511
  353    HA   TRP  37           HA       TRP  37   2.158   1.246   1.884
  354   1HB   TRP  37          1HB       TRP  37   1.894  -0.660  -0.456
  355   2HB   TRP  37          2HB       TRP  37   0.880  -0.888   0.955
  356    HD1  TRP  37           HD1      TRP  37   0.058   2.074   1.607
  357    HE1  TRP  37           HE1      TRP  37  -1.629   3.280   0.104
  358    HE3  TRP  37           HE3      TRP  37   0.551  -0.747  -2.623
  359    HZ2  TRP  37           HZ2      TRP  37  -2.577   3.111  -2.617
  360    HZ3  TRP  37           HZ3      TRP  37  -0.740  -0.188  -4.649
  361    HH2  TRP  37           HH2      TRP  37  -2.442   1.610  -4.597
  362    H    LYS  38           H        LYS  38   4.357  -1.413   1.010
  363    HA   LYS  38           HA       LYS  38   3.414  -3.211   3.005
  364   1HB   LYS  38          1HB       LYS  38   4.493  -3.979   1.019
  365   2HB   LYS  38          2HB       LYS  38   5.967  -3.098   1.345
  366   1HG   LYS  38          1HG       LYS  38   6.203  -5.491   1.802
  367   2HG   LYS  38          2HG       LYS  38   6.402  -4.592   3.311
  368   1HD   LYS  38          1HD       LYS  38   4.129  -5.162   4.015
  369   2HD   LYS  38          2HD       LYS  38   3.778  -5.883   2.427
  370   1HE   LYS  38          1HE       LYS  38   5.491  -7.612   2.822
  371   2HE   LYS  38          2HE       LYS  38   5.891  -6.881   4.389
  372   1HZ   LYS  38          1HZ       LYS  38   3.292  -8.032   3.645
  373   2HZ   LYS  38          2HZ       LYS  38   4.419  -8.734   4.620
  374   3HZ   LYS  38          3HZ       LYS  38   3.661  -7.353   5.102
  375    H    CYS  39           H        CYS  39   6.692  -1.900   2.906
  376    HA   CYS  39           HA       CYS  39   6.911  -2.173   5.791
  377   1HB   CYS  39          1HB       CYS  39   9.221  -0.817   4.869
  378   2HB   CYS  39          2HB       CYS  39   9.055  -2.426   5.518
  379    H    GLY  40           H        GLY  40   6.604   0.679   3.608
  380   1HA   GLY  40          1HA       GLY  40   5.216   2.349   4.856
  381   2HA   GLY  40          2HA       GLY  40   6.487   2.401   6.069
  382    H    LYS  41           H        LYS  41   8.825   2.512   4.457
  383    HA   LYS  41           HA       LYS  41   9.019   5.278   4.218
  384   1HB   LYS  41          1HB       LYS  41  10.722   3.108   2.951
  385   2HB   LYS  41          2HB       LYS  41  11.118   4.837   2.922
  386   1HG   LYS  41          1HG       LYS  41  11.040   4.885   5.402
  387   2HG   LYS  41          2HG       LYS  41  10.834   3.118   5.413
  388   1HD   LYS  41          1HD       LYS  41  12.972   2.924   4.092
  389   2HD   LYS  41          2HD       LYS  41  13.182   4.676   4.210
  390   1HE   LYS  41          1HE       LYS  41  13.040   2.738   6.567
  391   2HE   LYS  41          2HE       LYS  41  14.523   3.429   5.888
  392   1HZ   LYS  41          1HZ       LYS  41  13.707   5.600   6.471
  393   2HZ   LYS  41          2HZ       LYS  41  12.346   4.950   7.136
  394   3HZ   LYS  41          3HZ       LYS  41  13.819   4.629   7.798
  395    H    GLU  42           H        GLU  42   8.960   6.797   2.634
  396    HA   GLU  42           HA       GLU  42   7.758   6.008   0.028
  397   1HB   GLU  42          1HB       GLU  42   7.008   8.405  -0.026
  398   2HB   GLU  42          2HB       GLU  42   6.271   7.401   1.203
  399   1HG   GLU  42          1HG       GLU  42   6.885   9.699   1.989
  400   2HG   GLU  42          2HG       GLU  42   7.448   8.361   2.989
  401    H    GLY  43           H        GLY  43   8.320   8.131  -1.507
  402   1HA   GLY  43          1HA       GLY  43  10.045   9.250  -2.632
  403   2HA   GLY  43          2HA       GLY  43  11.274   8.396  -1.684
  404    H    HIS  44           H        HIS  44  10.287   5.824  -1.861
  405    HA   HIS  44           HA       HIS  44  10.427   5.031  -4.736
  406   1HB   HIS  44          1HB       HIS  44  11.537   3.003  -3.929
  407   2HB   HIS  44          2HB       HIS  44  12.460   4.438  -3.483
  408    HD1  HIS  44           HD1      HIS  44  12.788   4.905  -0.936
  409    HD2  HIS  44           HD2      HIS  44  10.256   1.690  -1.771
  410    HE1  HIS  44           HE1      HIS  44  12.405   3.655   1.256
  411    H    GLN  45           H        GLN  45   9.089   3.147  -5.263
  412    HA   GLN  45           HA       GLN  45   6.541   3.189  -3.790
  413   1HB   GLN  45          1HB       GLN  45   7.440   1.779  -6.324
  414   2HB   GLN  45          2HB       GLN  45   5.834   1.644  -5.615
  415   1HG   GLN  45          1HG       GLN  45   5.524   4.098  -5.777
  416   2HG   GLN  45          2HG       GLN  45   7.079   4.222  -6.623
  417   1HE2  GLN  45          1HE2      GLN  45   4.191   4.822  -7.569
  418   2HE2  GLN  45          2HE2      GLN  45   4.036   3.864  -8.995
  419    H    MET  46           H        MET  46   5.433   0.977  -3.420
  420    HA   MET  46           HA       MET  46   6.998  -0.645  -1.708
  421   1HB   MET  46          1HB       MET  46   4.720  -0.607  -1.334
  422   2HB   MET  46          2HB       MET  46   4.268  -1.074  -2.940
  423   1HG   MET  46          1HG       MET  46   5.893  -2.871  -1.095
  424   2HG   MET  46          2HG       MET  46   4.137  -2.782  -0.993
  425   1HE   MET  46          1HE       MET  46   2.446  -3.624  -2.662
  426   2HE   MET  46          2HE       MET  46   3.077  -2.698  -4.046
  427   3HE   MET  46          3HE       MET  46   2.825  -4.447  -4.189
  428    H    LYS  47           H        LYS  47   6.107  -1.155  -5.120
  429    HA   LYS  47           HA       LYS  47   7.233  -3.571  -5.729
  430   1HB   LYS  47          1HB       LYS  47   6.783  -0.859  -7.014
  431   2HB   LYS  47          2HB       LYS  47   7.697  -2.049  -7.865
  432   1HG   LYS  47          1HG       LYS  47   5.756  -3.674  -7.592
  433   2HG   LYS  47          2HG       LYS  47   4.865  -2.389  -6.769
  434   1HD   LYS  47          1HD       LYS  47   5.266  -0.970  -8.908
  435   2HD   LYS  47          2HD       LYS  47   5.797  -2.476  -9.671
  436   1HE   LYS  47          1HE       LYS  47   3.582  -3.505  -9.155
  437   2HE   LYS  47          2HE       LYS  47   3.069  -2.003  -8.365
  438   1HZ   LYS  47          1HZ       LYS  47   3.380  -0.887 -10.472
  439   2HZ   LYS  47          2HZ       LYS  47   3.719  -2.327 -11.208
  440   3HZ   LYS  47          3HZ       LYS  47   2.233  -2.056 -10.527
  441    H    ASP  48           H        ASP  48   8.779  -0.358  -6.132
  442    HA   ASP  48           HA       ASP  48  11.333  -0.919  -6.806
  443   1HB   ASP  48          1HB       ASP  48   9.947   1.188  -5.120
  444   2HB   ASP  48          2HB       ASP  48  11.577   1.359  -5.598
  445    H    CYS  49           H        CYS  49  10.065  -0.346  -3.553
  446    HA   CYS  49           HA       CYS  49  12.021  -0.080  -1.923
  447   1HB   CYS  49          1HB       CYS  49   9.580  -0.457  -1.334
  448   2HB   CYS  49          2HB       CYS  49   9.975  -2.181  -1.194
  449    H    THR  50           H        THR  50  13.760  -0.882  -1.040
  450    HA   THR  50           HA       THR  50  14.522  -3.743  -1.432
  451    HB   THR  50           HB       THR  50  16.818  -2.945  -1.649
  452    HG1  THR  50           HG1      THR  50  15.724  -0.326  -1.573
  453   1HG2  THR  50          1HG2      THR  50  15.015  -1.337  -3.507
  454   2HG2  THR  50          2HG2      THR  50  16.661  -1.914  -3.823
  455   3HG2  THR  50          3HG2      THR  50  15.325  -3.082  -3.670
  456    H    GLU  51           H        GLU  51  13.406  -1.809   0.905
  457    HA   GLU  51           HA       GLU  51  15.142  -1.877   3.109
  458   1HB   GLU  51          1HB       GLU  51  12.124  -2.131   2.874
  459   2HB   GLU  51          2HB       GLU  51  12.940  -2.018   4.426
  460   1HG   GLU  51          1HG       GLU  51  13.889   0.161   3.766
  461   2HG   GLU  51          2HG       GLU  51  13.048   0.090   2.223
  462    H    ARG  52           H        ARG  52  12.412  -4.055   2.734
  463    HA   ARG  52           HA       ARG  52  13.651  -6.529   2.522
  464   1HB   ARG  52          1HB       ARG  52  13.098  -7.505   4.747
  465   2HB   ARG  52          2HB       ARG  52  14.529  -6.493   4.677
  466   1HG   ARG  52          1HG       ARG  52  13.278  -4.632   5.750
  467   2HG   ARG  52          2HG       ARG  52  11.837  -5.664   5.855
  468   1HD   ARG  52          1HD       ARG  52  13.070  -7.310   7.202
  469   2HD   ARG  52          2HD       ARG  52  14.557  -6.369   7.074
  470    HE   ARG  52           HE       ARG  52  12.335  -5.964   8.880
  471   1HH1  ARG  52          1HH1      ARG  52  14.940  -4.238   7.189
  472   2HH1  ARG  52          2HH1      ARG  52  14.996  -2.933   8.347
  473   1HH2  ARG  52          1HH2      ARG  52  12.419  -4.246  10.385
  474   2HH2  ARG  52          2HH2      ARG  52  13.554  -2.939  10.170
  475    H    GLN  53           H        GLN  53  12.030  -5.842   0.970
  476    HA   GLN  53           HA       GLN  53   9.270  -5.541   1.514
  477   1HB   GLN  53          1HB       GLN  53  10.504  -4.770  -0.493
  478   2HB   GLN  53          2HB       GLN  53  10.681  -6.451  -1.029
  479   1HG   GLN  53          1HG       GLN  53   8.140  -6.616  -1.021
  480   2HG   GLN  53          2HG       GLN  53   8.087  -4.883  -0.666
  481   1HE2  GLN  53          1HE2      GLN  53  10.613  -4.528  -2.528
  482   2HE2  GLN  53          2HE2      GLN  53   9.878  -4.545  -4.109
  483    H    ALA  54           H        ALA  54   8.312  -7.128   2.699
  484    HA   ALA  54           HA       ALA  54   7.468  -9.109   3.355
  485   1HB   ALA  54          1HB       ALA  54   6.444  -9.116   1.085
  486   2HB   ALA  54          2HB       ALA  54   7.831 -10.035   0.469
  487   3HB   ALA  54          3HB       ALA  54   6.775 -10.744   1.703
  488    H    ASN  55           H        ASN  55  10.012  -8.629   4.014
  489    HA   ASN  55           HA       ASN  55  11.839  -9.533   4.901
  490   1HB   ASN  55          1HB       ASN  55  10.322 -11.416   5.569
  491   2HB   ASN  55          2HB       ASN  55  10.866 -12.322   4.154
  492   1HD2  ASN  55          1HD2      ASN  55  13.385 -12.404   3.950
  493   2HD2  ASN  55          2HD2      ASN  55  14.246 -12.783   5.439
  Start of MODEL    9
    1   1H5*    G 101          1H5*        G 101 -21.306   0.942  -1.526
    2   2H5*    G 101          2H5*        G 101 -20.619  -0.320  -2.482
    3    H4*    G 101           H4*        G 101 -22.442   1.844  -3.350
    4    H3*    G 101           H3*        G 101 -22.561  -0.853  -3.652
    5    H1*    G 101           H1*        G 101 -20.501   1.021  -6.542
    6    H8     G 101           H8         G 101 -18.781  -0.751  -3.561
    7    H1     G 101           H1         G 101 -14.770   2.504  -7.377
    8   1H2     G 101          1H2         G 101 -15.942   3.641  -8.925
    9   2H2     G 101          2H2         G 101 -17.691   3.627  -8.951
   10    H5T    G 101           H5T        G 101 -19.040   1.070  -1.695
   11   1H2*    G 101          1H2*        G 101 -20.593  -1.317  -4.772
   12   2H2*    G 101          2H2*        G 101 -21.544  -0.881  -6.210
   13   1H5*    T 102          1H5*        T 102 -26.029  -1.714  -6.723
   14   2H5*    T 102          2H5*        T 102 -26.729  -2.516  -5.313
   15    H4*    T 102           H4*        T 102 -26.075  -4.406  -6.370
   16    H3*    T 102           H3*        T 102 -24.104  -3.934  -4.517
   17   1H2*    T 102          1H2*        T 102 -22.869  -2.561  -6.058
   18   2H2*    T 102          2H2*        T 102 -21.947  -4.052  -6.172
   19    H1*    T 102           H1*        T 102 -23.251  -4.789  -8.060
   20    H3     T 102           H3         T 102 -21.140  -2.667 -11.550
   21   1H5M    T 102          1H5M        T 102 -22.894   1.137  -8.086
   22   2H5M    T 102          2H5M        T 102 -23.370   1.366  -9.782
   23   3H5M    T 102          3H5M        T 102 -21.661   1.481  -9.311
   24    H6     T 102           H6         T 102 -23.497  -1.084  -7.674
   25   1H5*    C 103          1H5*        C 103 -22.254  -6.795  -7.488
   26   2H5*    C 103          2H5*        C 103 -21.297  -8.036  -6.679
   27    H4*    C 103           H4*        C 103 -19.979  -7.087  -8.389
   28    H3*    C 103           H3*        C 103 -19.087  -6.255  -5.627
   29    H1*    C 103           H1*        C 103 -18.735  -5.455  -9.254
   30   1H4     C 103          1H4         C 103 -17.863   0.582 -11.154
   31   2H4     C 103          2H4         C 103 -18.679   1.220  -9.739
   32    H5     C 103           H5         C 103 -19.578  -0.228  -7.975
   33    H6     C 103           H6         C 103 -19.819  -2.457  -7.195
   34   1H2*    C 103          1H2*        C 103 -18.133  -4.389  -6.480
   35   2H2*    C 103          2H2*        C 103 -17.111  -5.388  -7.549
   36   1H5*    C 104          1H5*        C 104 -16.361  -8.405  -9.003
   37   2H5*    C 104          2H5*        C 104 -15.209  -9.408  -8.100
   38    H4*    C 104           H4*        C 104 -14.189  -8.491 -10.143
   39    H3*    C 104           H3*        C 104 -12.972  -8.497  -7.659
   40    H1*    C 104           H1*        C 104 -12.811  -5.632  -9.984
   41   1H4     C 104          1H4         C 104 -15.750   0.057  -9.096
   42   2H4     C 104          2H4         C 104 -16.426  -0.505  -7.582
   43    H5     C 104           H5         C 104 -16.011  -2.722  -6.669
   44    H6     C 104           H6         C 104 -14.875  -4.806  -7.038
   45   1H2*    C 104          1H2*        C 104 -13.555  -6.310  -7.118
   46   2H2*    C 104          2H2*        C 104 -12.010  -5.910  -7.770
   47   1H5*    C 105          1H5*        C 105  -9.658  -6.826 -11.283
   48   2H5*    C 105          2H5*        C 105  -8.182  -7.458 -10.528
   49    H4*    C 105           H4*        C 105  -7.673  -5.286 -11.432
   50    H3*    C 105           H3*        C 105  -7.231  -5.899  -8.692
   51    H1*    C 105           H1*        C 105  -8.185  -2.682 -10.105
   52   1H4     C 105          1H4         C 105 -12.859   1.093  -8.005
   53   2H4     C 105          2H4         C 105 -13.478  -0.186  -6.996
   54    H5     C 105           H5         C 105 -12.698  -2.508  -7.149
   55    H6     C 105           H6         C 105 -11.119  -3.970  -8.176
   56   1H2*    C 105          1H2*        C 105  -9.113  -4.679  -8.023
   57   2H2*    C 105          2H2*        C 105  -7.829  -3.436  -7.848
   58   1H5*    T 106          1H5*        T 106  -4.938  -2.400 -10.871
   59   2H5*    T 106          2H5*        T 106  -3.342  -2.821 -11.522
   60    H4*    T 106           H4*        T 106  -3.499  -0.530 -10.511
   61    H3*    T 106           H3*        T 106  -1.515  -2.547  -9.644
   62   1H2*    T 106          1H2*        T 106  -0.962  -1.413  -7.510
   63   2H2*    T 106          2H2*        T 106  -1.703   0.066  -8.079
   64    H1*    T 106           H1*        T 106  -3.450  -0.610  -6.815
   65    H3     T 106           H3         T 106  -2.120  -5.641  -6.242
   66   1H5M    T 106          1H5M        T 106  -6.864  -3.678  -5.329
   67   2H5M    T 106          2H5M        T 106  -6.254  -4.927  -4.216
   68   3H5M    T 106          3H5M        T 106  -6.033  -3.200  -3.825
   69    H6     T 106           H6         T 106  -5.233  -1.994  -6.176
   70   1H5*    G 107          1H5*        G 107  -1.068   1.842 -10.157
   71   2H5*    G 107          2H5*        G 107   0.483   2.416 -10.807
   72    H4*    G 107           H4*        G 107  -0.849   3.759  -8.876
   73    H3*    G 107           H3*        G 107   2.153   3.137  -8.483
   74    H1*    G 107           H1*        G 107  -0.691   3.991  -6.233
   75    H8     G 107           H8         G 107   1.752   1.272  -7.184
   76    H1     G 107           H1         G 107   2.806   3.074  -1.105
   77   1H2     G 107          1H2         G 107   1.766   4.981  -0.727
   78   2H2     G 107          2H2         G 107   0.687   5.710  -1.908
   79   1H2*    G 107          1H2*        G 107   1.866   4.857  -6.755
   80   2H2*    G 107          2H2*        G 107   0.366   5.414  -7.543
   81   1H5*    T 108          1H5*        T 108   2.196   8.267 -10.571
   82   2H5*    T 108          2H5*        T 108   3.474   8.703  -9.436
   83    H4*    T 108           H4*        T 108   2.155  10.486  -9.116
   84    H3*    T 108           H3*        T 108   1.760   9.007  -6.874
   85   1H2*    T 108          1H2*        T 108   0.051   7.637  -7.813
   86   2H2*    T 108          2H2*        T 108  -0.947   8.805  -6.942
   87    H1*    T 108           H1*        T 108  -1.325  10.121  -8.784
   88    H3     T 108           H3         T 108  -3.952   8.429 -12.136
   89   1H5M    T 108          1H5M        T 108  -0.447   4.638 -10.503
   90   2H5M    T 108          2H5M        T 108  -1.974   4.145 -11.276
   91   3H5M    T 108          3H5M        T 108  -0.649   4.810 -12.265
   92    H6     T 108           H6         T 108  -0.198   6.710  -9.698
   93   1H5*    T 109          1H5*        T 109  -1.445  12.610  -7.649
   94   2H5*    T 109          2H5*        T 109  -1.919  13.312  -6.091
   95    H4*    T 109           H4*        T 109  -3.797  13.139  -7.676
   96    H3*    T 109           H3*        T 109  -3.986  12.361  -4.973
   97   1H2*    T 109          1H2*        T 109  -3.805  10.098  -5.528
   98   2H2*    T 109          2H2*        T 109  -5.571  10.179  -5.498
   99    H1*    T 109           H1*        T 109  -5.633  10.863  -7.860
  100    H3     T 109           H3         T 109  -5.750   7.059 -10.406
  101   1H5M    T 109          1H5M        T 109  -1.782   6.426  -7.130
  102   2H5M    T 109          2H5M        T 109  -3.038   5.651  -6.130
  103   3H5M    T 109          3H5M        T 109  -2.600   4.955  -7.707
  104    H6     T 109           H6         T 109  -3.300   8.351  -6.498
  105   1H5*    C 110          1H5*        C 110  -7.488  12.018  -7.952
  106   2H5*    C 110          2H5*        C 110  -8.951  12.744  -7.300
  107    H4*    C 110           H4*        C 110  -8.533  10.020  -8.406
  108    H3*    C 110           H3*        C 110 -10.967  11.789  -7.838
  109    H1*    C 110           H1*        C 110 -10.005   8.130  -7.626
  110   1H4     C 110          1H4         C 110 -14.665   7.119  -3.062
  111   2H4     C 110          2H4         C 110 -15.211   6.129  -4.399
  112    H5     C 110           H5         C 110 -14.225   6.301  -6.666
  113    H6     C 110           H6         C 110 -12.380   7.260  -7.922
  114   1H2*    C 110          1H2*        C 110 -12.291   9.958  -8.115
  115   2H2*    C 110          2H2*        C 110 -11.200   9.110  -9.239
  116   1H5*    G 111          1H5*        G 111  -9.483   9.828 -11.823
  117   2H5*    G 111          2H5*        G 111 -10.203  10.684 -13.198
  118    H4*    G 111           H4*        G 111  -9.804   8.312 -13.682
  119    H3*    G 111           H3*        G 111 -12.284   9.690 -14.152
  120    H1*    G 111           H1*        G 111 -11.646   6.081 -13.407
  121    H8     G 111           H8         G 111 -13.975   7.418 -10.586
  122    H1     G 111           H1         G 111 -11.538   1.556  -9.494
  123   1H2     G 111          1H2         G 111 -10.132   0.997 -11.164
  124   2H2     G 111          2H2         G 111  -9.855   2.078 -12.512
  125   1H2*    G 111          1H2*        G 111 -13.449   8.371 -12.597
  126   2H2*    G 111          2H2*        G 111 -13.629   7.286 -14.003
  127   1H5*    G 112          1H5*        G 112 -10.567   5.916 -16.592
  128   2H5*    G 112          2H5*        G 112 -11.262   5.919 -18.226
  129    H4*    G 112           H4*        G 112 -10.935   3.626 -17.470
  130    H3*    G 112           H3*        G 112 -13.463   4.589 -18.402
  131    H1*    G 112           H1*        G 112 -12.815   2.042 -15.886
  132    H8     G 112           H8         G 112 -14.434   4.976 -13.953
  133    H1     G 112           H1         G 112 -14.036  -0.608 -10.753
  134   1H2     G 112          1H2         G 112 -12.702  -2.027 -11.934
  135   2H2     G 112          2H2         G 112 -11.972  -1.542 -13.449
  136   1H2*    G 112          1H2*        G 112 -14.329   4.666 -16.200
  137   2H2*    G 112          2H2*        G 112 -14.895   3.071 -16.749
  138   1H5*    G 113          1H5*        G 113 -10.801   0.646 -18.396
  139   2H5*    G 113          2H5*        G 113 -10.508  -0.204 -19.925
  140    H4*    G 113           H4*        G 113 -10.840  -1.881 -18.274
  141    H3*    G 113           H3*        G 113 -12.669  -1.809 -20.406
  142    H1*    G 113           H1*        G 113 -13.477  -2.656 -16.870
  143    H8     G 113           H8         G 113 -14.954   0.860 -17.584
  144    H1     G 113           H1         G 113 -16.855  -1.730 -12.025
  145   1H2     G 113          1H2         G 113 -16.150  -3.876 -11.944
  146   2H2     G 113          2H2         G 113 -15.028  -4.520 -13.126
  147   1H2*    G 113          1H2*        G 113 -14.372  -0.758 -19.067
  148   2H2*    G 113          2H2*        G 113 -14.831  -2.446 -18.876
  149   1H5*    C 114          1H5*        C 114 -13.225  -5.667 -17.262
  150   2H5*    C 114          2H5*        C 114 -13.848  -6.967 -18.302
  151    H4*    C 114           H4*        C 114 -15.081  -6.943 -16.190
  152    H3*    C 114           H3*        C 114 -16.705  -5.928 -18.571
  153    H1*    C 114           H1*        C 114 -17.000  -5.163 -14.809
  154   1H4     C 114          1H4         C 114 -19.420   0.604 -16.258
  155   2H4     C 114          2H4         C 114 -18.613   0.619 -17.811
  156    H5     C 114           H5         C 114 -17.320  -1.326 -18.659
  157    H6     C 114           H6         C 114 -16.607  -3.564 -18.138
  158    H3T    C 114           H3T        C 114 -17.511  -8.064 -18.396
  159   2H2*    C 114          2H2*        C 114 -17.813  -6.918 -15.942
  160   1H2*    C 114          1H2*        C 114 -18.563  -5.791 -17.107
  161   1H    ASN  12          1H        ASN  12 -14.376 -10.167  -4.710
  162   2H    ASN  12          2H        ASN  12 -14.720  -8.582  -5.157
  163   3H    ASN  12          3H        ASN  12 -13.171  -9.200  -5.376
  164    HA   ASN  12           HA       ASN  12 -14.230  -7.871  -3.174
  165   1HB   ASN  12          1HB       ASN  12 -13.479 -10.767  -2.694
  166   2HB   ASN  12          2HB       ASN  12 -13.409  -9.534  -1.436
  167   1HD2  ASN  12          1HD2      ASN  12 -15.138  -9.701  -0.085
  168   2HD2  ASN  12          2HD2      ASN  12 -16.786  -9.996  -0.607
  169    H    VAL  13           H        VAL  13 -12.645  -6.451  -3.878
  170    HA   VAL  13           HA       VAL  13  -9.844  -7.373  -4.019
  171    HB   VAL  13           HB       VAL  13 -10.552  -6.182  -5.900
  172   1HG1  VAL  13          1HG1      VAL  13 -11.425  -3.868  -4.124
  173   2HG1  VAL  13          2HG1      VAL  13 -11.205  -3.797  -5.855
  174   3HG1  VAL  13          3HG1      VAL  13 -12.445  -4.862  -5.188
  175   1HG2  VAL  13          1HG2      VAL  13  -8.278  -5.787  -5.116
  176   2HG2  VAL  13          2HG2      VAL  13  -8.940  -4.348  -5.910
  177   3HG2  VAL  13          3HG2      VAL  13  -8.821  -4.379  -4.161
  178    H    LYS  14           H        LYS  14  -8.828  -7.468  -2.117
  179    HA   LYS  14           HA       LYS  14  -9.245  -5.896   0.190
  180   1HB   LYS  14          1HB       LYS  14  -6.789  -6.474   0.635
  181   2HB   LYS  14          2HB       LYS  14  -7.913  -7.795   0.562
  182   1HG   LYS  14          1HG       LYS  14  -7.150  -8.642  -1.416
  183   2HG   LYS  14          2HG       LYS  14  -6.596  -7.101  -2.057
  184   1HD   LYS  14          1HD       LYS  14  -5.231  -8.653   0.170
  185   2HD   LYS  14          2HD       LYS  14  -4.760  -8.677  -1.535
  186   1HE   LYS  14          1HE       LYS  14  -4.692  -6.251   0.316
  187   2HE   LYS  14          2HE       LYS  14  -3.323  -7.179  -0.300
  188   1HZ   LYS  14          1HZ       LYS  14  -3.978  -6.463  -2.538
  189   2HZ   LYS  14          2HZ       LYS  14  -5.174  -5.540  -1.882
  190   3HZ   LYS  14          3HZ       LYS  14  -3.604  -5.198  -1.550
  191    H    CYS  15           H        CYS  15  -9.107  -3.728   0.343
  192    HA   CYS  15           HA       CYS  15  -7.608  -2.035  -1.421
  193   1HB   CYS  15          1HB       CYS  15  -9.643  -1.347  -0.270
  194   2HB   CYS  15          2HB       CYS  15  -8.877  -1.616   1.298
  195    H    PHE  16           H        PHE  16  -5.464  -1.281  -1.231
  196    HA   PHE  16           HA       PHE  16  -3.668  -2.305   0.763
  197   1HB   PHE  16          1HB       PHE  16  -3.496   0.092  -1.098
  198   2HB   PHE  16          2HB       PHE  16  -2.183  -0.464  -0.112
  199    HD1  PHE  16           HD1      PHE  16  -1.659  -3.163  -0.436
  200    HD2  PHE  16           HD2      PHE  16  -3.459  -0.549  -3.358
  201    HE1  PHE  16           HE1      PHE  16  -0.536  -4.411  -2.269
  202    HE2  PHE  16           HE2      PHE  16  -2.078  -1.572  -5.100
  203    HZ   PHE  16           HZ       PHE  16  -0.668  -3.528  -4.618
  204    H    ASN  17           H        ASN  17  -5.216   0.846   0.201
  205    HA   ASN  17           HA       ASN  17  -4.020   2.177   2.375
  206   1HB   ASN  17          1HB       ASN  17  -4.810   3.139   0.206
  207   2HB   ASN  17          2HB       ASN  17  -6.475   2.953   0.763
  208   1HD2  ASN  17          1HD2      ASN  17  -7.052   5.142   0.958
  209   2HD2  ASN  17          2HD2      ASN  17  -6.212   6.280   1.979
  210    H    CYS  18           H        CYS  18  -6.432  -0.155   2.763
  211    HA   CYS  18           HA       CYS  18  -6.837   0.833   5.454
  212   1HB   CYS  18          1HB       CYS  18  -9.147   1.013   5.573
  213   2HB   CYS  18          2HB       CYS  18  -8.636   2.091   4.287
  214    H    GLY  19           H        GLY  19  -7.408  -1.692   3.005
  215   1HA   GLY  19          1HA       GLY  19  -6.813  -3.951   3.639
  216   2HA   GLY  19          2HA       GLY  19  -7.601  -3.722   5.198
  217    H    LYS  20           H        LYS  20 -10.005  -2.442   4.348
  218    HA   LYS  20           HA       LYS  20 -11.491  -4.766   3.869
  219   1HB   LYS  20          1HB       LYS  20 -12.218  -1.855   4.025
  220   2HB   LYS  20          2HB       LYS  20 -13.369  -2.932   3.238
  221   1HG   LYS  20          1HG       LYS  20 -13.435  -4.472   5.059
  222   2HG   LYS  20          2HG       LYS  20 -12.190  -3.580   5.941
  223   1HD   LYS  20          1HD       LYS  20 -13.704  -1.639   6.140
  224   2HD   LYS  20          2HD       LYS  20 -14.936  -2.459   5.169
  225   1HE   LYS  20          1HE       LYS  20 -13.887  -3.452   7.864
  226   2HE   LYS  20          2HE       LYS  20 -15.387  -2.541   7.629
  227   1HZ   LYS  20          1HZ       LYS  20 -16.187  -4.316   6.243
  228   2HZ   LYS  20          2HZ       LYS  20 -14.810  -5.187   6.499
  229   3HZ   LYS  20          3HZ       LYS  20 -15.820  -4.855   7.755
  230    H    GLU  21           H        GLU  21 -12.874  -5.422   2.354
  231    HA   GLU  21           HA       GLU  21 -11.689  -5.548  -0.250
  232   1HB   GLU  21          1HB       GLU  21 -14.064  -6.874   1.062
  233   2HB   GLU  21          2HB       GLU  21 -13.533  -7.255  -0.583
  234   1HG   GLU  21          1HG       GLU  21 -11.319  -7.906   0.181
  235   2HG   GLU  21          2HG       GLU  21 -11.698  -7.465   1.849
  236    H    GLY  22           H        GLY  22 -13.435  -5.766  -2.125
  237   1HA   GLY  22          1HA       GLY  22 -15.211  -4.947  -3.346
  238   2HA   GLY  22          2HA       GLY  22 -15.612  -3.803  -2.062
  239    H    HIS  23           H        HIS  23 -13.304  -2.334  -1.749
  240    HA   HIS  23           HA       HIS  23 -13.054  -0.923  -4.367
  241   1HB   HIS  23          1HB       HIS  23 -12.466   0.931  -2.877
  242   2HB   HIS  23          2HB       HIS  23 -14.121   0.624  -2.852
  243    HD1  HIS  23           HD1      HIS  23 -14.568  -0.900  -0.291
  244    HD2  HIS  23           HD2      HIS  23 -10.924   1.089  -0.834
  245    HE1  HIS  23           HE1      HIS  23 -13.397  -0.802   1.982
  246    H    THR  24           H        THR  24 -11.147   0.354  -4.639
  247    HA   THR  24           HA       THR  24  -8.654  -1.060  -3.854
  248    HB   THR  24           HB       THR  24  -7.804   0.377  -5.854
  249    HG1  THR  24           HG1      THR  24  -9.663   1.750  -5.911
  250   1HG2  THR  24          1HG2      THR  24  -8.667  -1.226  -7.467
  251   2HG2  THR  24          2HG2      THR  24  -8.121  -2.001  -5.972
  252   3HG2  THR  24          3HG2      THR  24  -9.856  -1.806  -6.264
  253    H    ALA  25           H        ALA  25  -6.753   0.493  -3.925
  254    HA   ALA  25           HA       ALA  25  -6.652   2.221  -1.751
  255   1HB   ALA  25          1HB       ALA  25  -5.021   2.130  -4.336
  256   2HB   ALA  25          2HB       ALA  25  -4.560   3.021  -2.869
  257   3HB   ALA  25          3HB       ALA  25  -4.700   1.252  -2.830
  258    H    ARG  26           H        ARG  26  -7.085   3.103  -5.230
  259    HA   ARG  26           HA       ARG  26  -7.170   5.890  -4.699
  260   1HB   ARG  26          1HB       ARG  26  -7.714   6.178  -6.980
  261   2HB   ARG  26          2HB       ARG  26  -6.501   4.894  -6.844
  262   1HG   ARG  26          1HG       ARG  26  -8.361   3.194  -7.060
  263   2HG   ARG  26          2HG       ARG  26  -9.491   4.522  -7.342
  264   1HD   ARG  26          1HD       ARG  26  -7.124   3.658  -9.039
  265   2HD   ARG  26          2HD       ARG  26  -8.827   3.622  -9.497
  266    HE   ARG  26           HE       ARG  26  -6.966   5.764  -9.779
  267   1HH1  ARG  26          1HH1      ARG  26 -10.393   5.221  -9.073
  268   2HH1  ARG  26          2HH1      ARG  26 -10.880   6.818  -9.587
  269   1HH2  ARG  26          1HH2      ARG  26  -7.625   7.932 -10.337
  270   2HH2  ARG  26          2HH2      ARG  26  -9.322   8.322 -10.335
  271    H    ASN  27           H        ASN  27  -9.765   3.461  -4.721
  272    HA   ASN  27           HA       ASN  27 -11.917   5.390  -4.770
  273   1HB   ASN  27          1HB       ASN  27 -12.338   2.898  -5.286
  274   2HB   ASN  27          2HB       ASN  27 -11.858   2.603  -3.657
  275   1HD2  ASN  27          1HD2      ASN  27 -13.414   3.008  -1.967
  276   2HD2  ASN  27          2HD2      ASN  27 -15.054   3.513  -2.317
  277    H    CYS  28           H        CYS  28 -10.201   3.548  -2.303
  278    HA   CYS  28           HA       CYS  28 -11.393   3.634  -0.030
  279   1HB   CYS  28          1HB       CYS  28  -8.984   3.025  -0.498
  280   2HB   CYS  28          2HB       CYS  28  -8.571   4.696  -0.124
  281    H    ARG  29           H        ARG  29 -12.608   4.955   1.133
  282    HA   ARG  29           HA       ARG  29 -12.297   7.857   1.067
  283   1HB   ARG  29          1HB       ARG  29 -14.489   6.637   1.028
  284   2HB   ARG  29          2HB       ARG  29 -14.207   6.154   2.709
  285   1HG   ARG  29          1HG       ARG  29 -14.065   8.605   3.313
  286   2HG   ARG  29          2HG       ARG  29 -14.386   9.008   1.619
  287   1HD   ARG  29          1HD       ARG  29 -16.556   7.844   1.730
  288   2HD   ARG  29          2HD       ARG  29 -16.263   7.392   3.412
  289    HE   ARG  29           HE       ARG  29 -17.153   9.949   2.360
  290   1HH1  ARG  29          1HH1      ARG  29 -15.441   8.461   5.096
  291   2HH1  ARG  29          2HH1      ARG  29 -15.840   9.749   6.203
  292   1HH2  ARG  29          1HH2      ARG  29 -17.653  11.632   3.820
  293   2HH2  ARG  29          2HH2      ARG  29 -17.096  11.562   5.471
  294    H    ALA  30           H        ALA  30  -9.989   7.284   1.844
  295    HA   ALA  30           HA       ALA  30  -9.750   8.258   4.524
  296   1HB   ALA  30          1HB       ALA  30  -9.874   5.829   5.042
  297   2HB   ALA  30          2HB       ALA  30  -8.537   5.529   3.903
  298   3HB   ALA  30          3HB       ALA  30  -8.264   6.481   5.370
  299    HA   PRO  31           HA       PRO  31  -6.422  10.238   2.458
  300   1HB   PRO  31          1HB       PRO  31  -4.594   9.539   4.764
  301   2HB   PRO  31          2HB       PRO  31  -4.870  11.130   4.000
  302   1HG   PRO  31          1HG       PRO  31  -6.045  10.541   6.372
  303   2HG   PRO  31          2HG       PRO  31  -7.002  11.338   5.086
  304   1HD   PRO  31          1HD       PRO  31  -6.944   8.383   5.783
  305   2HD   PRO  31          2HD       PRO  31  -8.344   9.434   5.523
  306    H    ARG  32           H        ARG  32  -5.095   9.532   0.773
  307    HA   ARG  32           HA       ARG  32  -4.069   6.757   0.847
  308   1HB   ARG  32          1HB       ARG  32  -4.300   8.819  -1.381
  309   2HB   ARG  32          2HB       ARG  32  -3.384   7.317  -1.514
  310   1HG   ARG  32          1HG       ARG  32  -5.391   6.789  -2.517
  311   2HG   ARG  32          2HG       ARG  32  -5.434   6.020  -0.934
  312   1HD   ARG  32          1HD       ARG  32  -7.577   6.886  -1.267
  313   2HD   ARG  32          2HD       ARG  32  -6.831   8.051  -0.171
  314    HE   ARG  32           HE       ARG  32  -6.281   9.304  -2.410
  315   1HH1  ARG  32          1HH1      ARG  32  -9.394   7.707  -1.556
  316   2HH1  ARG  32          2HH1      ARG  32 -10.276   8.670  -2.716
  317   1HH2  ARG  32          1HH2      ARG  32  -7.563  10.657  -3.708
  318   2HH2  ARG  32          2HH2      ARG  32  -9.257  10.291  -3.942
  319    H    LYS  33           H        LYS  33  -1.927   6.237   0.424
  320    HA   LYS  33           HA       LYS  33   0.069   8.107   1.534
  321   1HB   LYS  33          1HB       LYS  33   0.018   5.158   0.799
  322   2HB   LYS  33          2HB       LYS  33   1.484   5.989   1.277
  323   1HG   LYS  33          1HG       LYS  33   0.725   4.871   3.172
  324   2HG   LYS  33          2HG       LYS  33   0.413   6.591   3.461
  325   1HD   LYS  33          1HD       LYS  33  -1.996   6.235   3.021
  326   2HD   LYS  33          2HD       LYS  33  -1.665   4.582   2.467
  327   1HE   LYS  33          1HE       LYS  33  -2.573   4.496   4.697
  328   2HE   LYS  33          2HE       LYS  33  -0.875   3.999   4.766
  329   1HZ   LYS  33          1HZ       LYS  33  -1.927   6.662   5.437
  330   2HZ   LYS  33          2HZ       LYS  33  -1.460   5.510   6.519
  331   3HZ   LYS  33          3HZ       LYS  33  -0.343   6.210   5.530
  332    H    LYS  34           H        LYS  34   2.229   8.029   0.345
  333    HA   LYS  34           HA       LYS  34   1.885   8.039  -2.636
  334   1HB   LYS  34          1HB       LYS  34   3.715   9.840  -1.007
  335   2HB   LYS  34          2HB       LYS  34   3.521   9.780  -2.770
  336   1HG   LYS  34          1HG       LYS  34   0.976  10.199  -2.261
  337   2HG   LYS  34          2HG       LYS  34   1.549  10.751  -0.676
  338   1HD   LYS  34          1HD       LYS  34   3.063  12.385  -1.869
  339   2HD   LYS  34          2HD       LYS  34   2.396  11.801  -3.410
  340   1HE   LYS  34          1HE       LYS  34   0.075  12.417  -2.480
  341   2HE   LYS  34          2HE       LYS  34   0.930  13.275  -1.184
  342   1HZ   LYS  34          1HZ       LYS  34   2.022  14.555  -2.952
  343   2HZ   LYS  34          2HZ       LYS  34   1.110  13.743  -4.073
  344   3HZ   LYS  34          3HZ       LYS  34   0.377  14.728  -2.974
  345    H    GLY  35           H        GLY  35   4.199   7.514   0.061
  346   1HA   GLY  35          1HA       GLY  35   6.050   6.015  -1.664
  347   2HA   GLY  35          2HA       GLY  35   6.217   6.422   0.049
  348    H    CYS  36           H        CYS  36   7.002   4.046  -0.270
  349    HA   CYS  36           HA       CYS  36   5.631   1.818  -0.842
  350   1HB   CYS  36          1HB       CYS  36   7.972   1.925  -0.018
  351   2HB   CYS  36          2HB       CYS  36   7.365   2.116   1.627
  352    H    TRP  37           H        TRP  37   3.669   0.895  -0.239
  353    HA   TRP  37           HA       TRP  37   2.180   1.977   1.944
  354   1HB   TRP  37          1HB       TRP  37   1.868  -0.384   0.092
  355   2HB   TRP  37          2HB       TRP  37   0.891  -0.330   1.552
  356    HD1  TRP  37           HD1      TRP  37  -0.151   2.420   1.856
  357    HE1  TRP  37           HE1      TRP  37  -1.617   3.646   0.143
  358    HE3  TRP  37           HE3      TRP  37   0.820  -0.470  -2.258
  359    HZ2  TRP  37           HZ2      TRP  37  -2.339   3.363  -2.585
  360    HZ3  TRP  37           HZ3      TRP  37  -0.254   0.059  -4.415
  361    HH2  TRP  37           HH2      TRP  37  -1.881   1.921  -4.597
  362    H    LYS  38           H        LYS  38   4.315  -0.852   1.746
  363    HA   LYS  38           HA       LYS  38   3.475  -1.837   4.344
  364   1HB   LYS  38          1HB       LYS  38   5.453  -2.704   2.222
  365   2HB   LYS  38          2HB       LYS  38   5.367  -3.516   3.790
  366   1HG   LYS  38          1HG       LYS  38   2.996  -3.107   1.914
  367   2HG   LYS  38          2HG       LYS  38   3.999  -4.568   1.988
  368   1HD   LYS  38          1HD       LYS  38   3.365  -4.716   4.453
  369   2HD   LYS  38          2HD       LYS  38   2.117  -3.507   4.134
  370   1HE   LYS  38          1HE       LYS  38   2.362  -6.208   2.747
  371   2HE   LYS  38          2HE       LYS  38   1.196  -5.776   4.010
  372   1HZ   LYS  38          1HZ       LYS  38   0.297  -4.126   2.538
  373   2HZ   LYS  38          2HZ       LYS  38   1.363  -4.548   1.352
  374   3HZ   LYS  38          3HZ       LYS  38   0.225  -5.627   1.860
  375    H    CYS  39           H        CYS  39   6.858  -1.109   3.338
  376    HA   CYS  39           HA       CYS  39   7.540  -0.705   6.107
  377   1HB   CYS  39          1HB       CYS  39   9.726  -0.168   5.510
  378   2HB   CYS  39          2HB       CYS  39   9.237  -1.480   4.452
  379    H    GLY  40           H        GLY  40   6.373   1.589   3.673
  380   1HA   GLY  40          1HA       GLY  40   5.332   3.587   4.452
  381   2HA   GLY  40          2HA       GLY  40   6.477   3.708   5.774
  382    H    LYS  41           H        LYS  41   8.876   3.170   4.232
  383    HA   LYS  41           HA       LYS  41   9.609   5.803   3.667
  384   1HB   LYS  41          1HB       LYS  41  10.854   3.151   2.883
  385   2HB   LYS  41          2HB       LYS  41  11.600   4.712   2.495
  386   1HG   LYS  41          1HG       LYS  41  11.695   5.344   4.814
  387   2HG   LYS  41          2HG       LYS  41  10.883   3.846   5.325
  388   1HD   LYS  41          1HD       LYS  41  12.707   2.493   4.469
  389   2HD   LYS  41          2HD       LYS  41  13.524   3.905   3.779
  390   1HE   LYS  41          1HE       LYS  41  12.995   3.481   6.758
  391   2HE   LYS  41          2HE       LYS  41  14.518   3.107   5.934
  392   1HZ   LYS  41          1HZ       LYS  41  14.704   5.408   5.332
  393   2HZ   LYS  41          2HZ       LYS  41  13.309   5.773   6.132
  394   3HZ   LYS  41          3HZ       LYS  41  14.618   5.227   6.968
  395    H    GLU  42           H        GLU  42   9.826   7.050   1.907
  396    HA   GLU  42           HA       GLU  42   8.312   6.245  -0.507
  397   1HB   GLU  42          1HB       GLU  42   8.137   8.679  -0.882
  398   2HB   GLU  42          2HB       GLU  42   7.455   8.166   0.635
  399   1HG   GLU  42          1HG       GLU  42   8.695  10.286   0.838
  400   2HG   GLU  42          2HG       GLU  42   9.207   9.032   1.961
  401    H    GLY  43           H        GLY  43   9.195   7.815  -2.411
  402   1HA   GLY  43          1HA       GLY  43  10.954   8.237  -3.890
  403   2HA   GLY  43          2HA       GLY  43  12.092   7.377  -2.842
  404    H    HIS  44           H        HIS  44  10.557   5.068  -2.401
  405    HA   HIS  44           HA       HIS  44  10.327   3.716  -5.053
  406   1HB   HIS  44          1HB       HIS  44  11.189   1.718  -3.965
  407   2HB   HIS  44          2HB       HIS  44  12.352   3.030  -3.771
  408    HD1  HIS  44           HD1      HIS  44  12.924   3.747  -1.336
  409    HD2  HIS  44           HD2      HIS  44   9.782   0.995  -1.592
  410    HE1  HIS  44           HE1      HIS  44  12.416   2.953   1.033
  411    H    GLN  45           H        GLN  45   8.604   2.179  -5.196
  412    HA   GLN  45           HA       GLN  45   6.464   2.460  -3.141
  413   1HB   GLN  45          1HB       GLN  45   6.424   1.213  -5.921
  414   2HB   GLN  45          2HB       GLN  45   5.039   1.409  -4.862
  415   1HG   GLN  45          1HG       GLN  45   6.634   3.715  -6.065
  416   2HG   GLN  45          2HG       GLN  45   5.132   3.052  -6.711
  417   1HE2  GLN  45          1HE2      GLN  45   4.244   5.247  -6.539
  418   2HE2  GLN  45          2HE2      GLN  45   3.703   5.825  -4.966
  419    H    MET  46           H        MET  46   5.162   0.322  -2.926
  420    HA   MET  46           HA       MET  46   6.861  -1.377  -1.423
  421   1HB   MET  46          1HB       MET  46   4.676  -0.944  -0.724
  422   2HB   MET  46          2HB       MET  46   3.938  -1.518  -2.190
  423   1HG   MET  46          1HG       MET  46   5.599  -3.257  -0.308
  424   2HG   MET  46          2HG       MET  46   3.870  -3.004  -0.115
  425   1HE   MET  46          1HE       MET  46   2.040  -3.629  -1.794
  426   2HE   MET  46          2HE       MET  46   2.823  -3.167  -3.325
  427   3HE   MET  46          3HE       MET  46   2.228  -4.821  -3.099
  428    H    LYS  47           H        LYS  47   5.419  -1.926  -4.582
  429    HA   LYS  47           HA       LYS  47   6.464  -4.531  -5.007
  430   1HB   LYS  47          1HB       LYS  47   6.015  -2.284  -6.999
  431   2HB   LYS  47          2HB       LYS  47   6.339  -3.978  -7.417
  432   1HG   LYS  47          1HG       LYS  47   4.301  -4.627  -6.053
  433   2HG   LYS  47          2HG       LYS  47   3.905  -2.899  -5.935
  434   1HD   LYS  47          1HD       LYS  47   3.818  -2.763  -8.428
  435   2HD   LYS  47          2HD       LYS  47   4.295  -4.466  -8.527
  436   1HE   LYS  47          1HE       LYS  47   1.940  -4.416  -8.861
  437   2HE   LYS  47          2HE       LYS  47   2.204  -5.078  -7.239
  438   1HZ   LYS  47          1HZ       LYS  47   1.722  -2.839  -6.397
  439   2HZ   LYS  47          2HZ       LYS  47   1.425  -2.338  -7.950
  440   3HZ   LYS  47          3HZ       LYS  47   0.462  -3.473  -7.263
  441    H    ASP  48           H        ASP  48   7.930  -1.324  -5.642
  442    HA   ASP  48           HA       ASP  48  10.322  -2.186  -6.880
  443   1HB   ASP  48          1HB       ASP  48   9.819   0.301  -5.211
  444   2HB   ASP  48          2HB       ASP  48  11.081   0.100  -6.400
  445    H    CYS  49           H        CYS  49   9.533  -1.339  -3.587
  446    HA   CYS  49           HA       CYS  49  11.597  -0.845  -2.176
  447   1HB   CYS  49          1HB       CYS  49   9.156  -1.423  -1.470
  448   2HB   CYS  49          2HB       CYS  49   9.837  -3.013  -1.064
  449    H    THR  50           H        THR  50  13.374  -1.555  -1.228
  450    HA   THR  50           HA       THR  50  14.318  -4.356  -1.668
  451    HB   THR  50           HB       THR  50  16.558  -3.358  -1.254
  452    HG1  THR  50           HG1      THR  50  16.684  -1.071  -1.312
  453   1HG2  THR  50          1HG2      THR  50  15.027  -1.992  -3.518
  454   2HG2  THR  50          2HG2      THR  50  16.782  -2.228  -3.418
  455   3HG2  THR  50          3HG2      THR  50  15.709  -3.631  -3.577
  456    H    GLU  51           H        GLU  51  13.444  -1.870   0.646
  457    HA   GLU  51           HA       GLU  51  14.764  -2.723   2.962
  458   1HB   GLU  51          1HB       GLU  51  12.181  -1.151   2.500
  459   2HB   GLU  51          2HB       GLU  51  12.930  -1.400   4.043
  460   1HG   GLU  51          1HG       GLU  51  13.690   0.686   3.387
  461   2HG   GLU  51          2HG       GLU  51  15.039  -0.358   2.898
  462    H    ARG  52           H        ARG  52  11.270  -2.833   2.544
  463    HA   ARG  52           HA       ARG  52  11.038  -5.652   3.137
  464   1HB   ARG  52          1HB       ARG  52  11.064  -4.356   5.368
  465   2HB   ARG  52          2HB       ARG  52   9.498  -3.697   4.862
  466   1HG   ARG  52          1HG       ARG  52   8.695  -6.077   4.537
  467   2HG   ARG  52          2HG       ARG  52  10.269  -6.624   5.146
  468   1HD   ARG  52          1HD       ARG  52   8.820  -6.754   6.993
  469   2HD   ARG  52          2HD       ARG  52   9.775  -5.305   7.296
  470    HE   ARG  52           HE       ARG  52   6.919  -5.594   6.557
  471   1HH1  ARG  52          1HH1      ARG  52   9.501  -3.279   7.352
  472   2HH1  ARG  52          2HH1      ARG  52   8.383  -1.972   7.649
  473   1HH2  ARG  52          1HH2      ARG  52   5.511  -3.899   6.881
  474   2HH2  ARG  52          2HH2      ARG  52   6.082  -2.293   7.281
  475    H    GLN  53           H        GLN  53  10.062  -6.098   1.378
  476    HA   GLN  53           HA       GLN  53   8.031  -4.541  -0.036
  477   1HB   GLN  53          1HB       GLN  53   9.051  -7.405  -0.332
  478   2HB   GLN  53          2HB       GLN  53   7.876  -6.642  -1.414
  479   1HG   GLN  53          1HG       GLN  53   9.484  -4.970  -2.102
  480   2HG   GLN  53          2HG       GLN  53  10.687  -5.575  -0.940
  481   1HE2  GLN  53          1HE2      GLN  53  11.573  -7.763  -1.293
  482   2HE2  GLN  53          2HE2      GLN  53  11.603  -8.417  -2.917
  483    H    ALA  54           H        ALA  54   8.180  -7.513   1.957
  484    HA   ALA  54           HA       ALA  54   5.391  -8.142   1.742
  485   1HB   ALA  54          1HB       ALA  54   7.237  -9.785   2.041
  486   2HB   ALA  54          2HB       ALA  54   7.511  -9.158   3.680
  487   3HB   ALA  54          3HB       ALA  54   5.981  -9.967   3.272
  488    H    ASN  55           H        ASN  55   4.482  -8.847   4.116
  489    HA   ASN  55           HA       ASN  55   3.113  -6.819   5.231
  490   1HB   ASN  55          1HB       ASN  55   2.712  -9.179   5.685
  491   2HB   ASN  55          2HB       ASN  55   4.203  -9.280   6.632
  492   1HD2  ASN  55          1HD2      ASN  55   1.151  -7.327   6.462
  493   2HD2  ASN  55          2HD2      ASN  55   0.940  -7.222   8.199
  Start of MODEL   10
    1   1H5*    G 101          1H5*        G 101 -22.056  -0.034  -3.548
    2   2H5*    G 101          2H5*        G 101 -23.564   0.773  -2.992
    3    H4*    G 101           H4*        G 101 -24.554  -0.079  -4.899
    4    H3*    G 101           H3*        G 101 -24.548  -2.428  -3.536
    5    H1*    G 101           H1*        G 101 -22.066  -2.413  -6.534
    6    H8     G 101           H8         G 101 -20.544  -3.307  -3.745
    7    H1     G 101           H1         G 101 -16.785   1.150  -6.449
    8   1H2     G 101          1H2         G 101 -17.962   2.283  -7.993
    9   2H2     G 101          2H2         G 101 -19.625   1.877  -8.359
   10    H5T    G 101           H5T        G 101 -23.850  -1.280  -1.891
   11   1H2*    G 101          1H2*        G 101 -22.436  -2.748  -3.785
   12   2H2*    G 101          2H2*        G 101 -22.877  -3.808  -4.980
   13   1H5*    T 102          1H5*        T 102 -26.764  -5.836  -6.641
   14   2H5*    T 102          2H5*        T 102 -26.224  -6.863  -5.314
   15    H4*    T 102           H4*        T 102 -24.992  -7.497  -7.250
   16    H3*    T 102           H3*        T 102 -23.404  -6.067  -5.166
   17   1H2*    T 102          1H2*        T 102 -22.125  -4.969  -6.699
   18   2H2*    T 102          2H2*        T 102 -21.566  -6.522  -7.343
   19    H1*    T 102           H1*        T 102 -23.209  -6.617  -8.980
   20    H3     T 102           H3         T 102 -21.485  -3.444 -11.824
   21   1H5M    T 102          1H5M        T 102 -24.345  -0.952  -7.922
   22   2H5M    T 102          2H5M        T 102 -24.145  -0.236  -9.529
   23   3H5M    T 102          3H5M        T 102 -22.792  -0.213  -8.378
   24    H6     T 102           H6         T 102 -23.838  -3.236  -7.626
   25   1H5*    C 103          1H5*        C 103 -21.270  -9.260  -7.648
   26   2H5*    C 103          2H5*        C 103 -20.088 -10.160  -6.675
   27    H4*    C 103           H4*        C 103 -19.104  -9.457  -8.792
   28    H3*    C 103           H3*        C 103 -17.934  -8.729  -6.236
   29    H1*    C 103           H1*        C 103 -17.831  -7.201  -9.611
   30   1H4     C 103          1H4         C 103 -19.164  -0.992 -10.795
   31   2H4     C 103          2H4         C 103 -19.942  -0.801  -9.239
   32    H5     C 103           H5         C 103 -20.219  -2.666  -7.662
   33    H6     C 103           H6         C 103 -19.755  -4.973  -7.239
   34   1H2*    C 103          1H2*        C 103 -18.118  -6.438  -6.677
   35   2H2*    C 103          2H2*        C 103 -16.615  -6.705  -7.552
   36   1H5*    C 104          1H5*        C 104 -15.534  -8.928 -10.407
   37   2H5*    C 104          2H5*        C 104 -13.968  -9.676 -10.026
   38    H4*    C 104           H4*        C 104 -13.739  -8.027 -11.846
   39    H3*    C 104           H3*        C 104 -12.206  -8.009  -9.397
   40    H1*    C 104           H1*        C 104 -13.330  -5.165 -11.653
   41   1H4     C 104          1H4         C 104 -16.658  -0.322  -9.125
   42   2H4     C 104          2H4         C 104 -17.279  -1.335  -7.833
   43    H5     C 104           H5         C 104 -16.553  -3.683  -7.512
   44    H6     C 104           H6         C 104 -15.225  -5.444  -8.464
   45   1H2*    C 104          1H2*        C 104 -12.810  -5.885  -8.759
   46   2H2*    C 104          2H2*        C 104 -11.658  -5.334 -10.010
   47   1H5*    C 105          1H5*        C 105 -10.106  -5.225 -12.561
   48   2H5*    C 105          2H5*        C 105  -8.381  -5.638 -12.517
   49    H4*    C 105           H4*        C 105  -8.635  -3.259 -12.506
   50    H3*    C 105           H3*        C 105  -7.083  -4.573 -10.548
   51    H1*    C 105           H1*        C 105  -9.066  -1.647  -9.881
   52   1H4     C 105          1H4         C 105 -14.440  -0.585  -6.641
   53   2H4     C 105          2H4         C 105 -14.343  -2.177  -5.897
   54    H5     C 105           H5         C 105 -12.851  -3.939  -6.781
   55    H6     C 105           H6         C 105 -10.929  -4.341  -8.162
   56   1H2*    C 105          1H2*        C 105  -8.859  -4.478  -8.896
   57   2H2*    C 105          2H2*        C 105  -7.866  -3.054  -8.467
   58   1H5*    T 106          1H5*        T 106  -5.438   0.409 -11.628
   59   2H5*    T 106          2H5*        T 106  -3.772   0.206 -12.197
   60    H4*    T 106           H4*        T 106  -4.011   1.122  -9.857
   61    H3*    T 106           H3*        T 106  -2.494  -1.449 -10.290
   62   1H2*    T 106          1H2*        T 106  -2.226  -1.654  -7.882
   63   2H2*    T 106          2H2*        T 106  -2.538   0.059  -7.650
   64    H1*    T 106           H1*        T 106  -4.664  -0.385  -7.225
   65    H3     T 106           H3         T 106  -4.630  -5.483  -8.982
   66   1H5M    T 106          1H5M        T 106  -7.747  -3.852  -5.495
   67   2H5M    T 106          2H5M        T 106  -6.781  -5.199  -4.824
   68   3H5M    T 106          3H5M        T 106  -6.451  -3.527  -4.310
   69    H6     T 106           H6         T 106  -5.752  -1.899  -5.990
   70   1H5*    G 107          1H5*        G 107  -0.378   2.232 -11.169
   71   2H5*    G 107          2H5*        G 107   1.279   2.811 -11.109
   72    H4*    G 107           H4*        G 107  -0.696   3.902  -9.684
   73    H3*    G 107           H3*        G 107   2.206   3.776  -8.843
   74    H1*    G 107           H1*        G 107  -0.728   3.622  -6.411
   75    H8     G 107           H8         G 107   1.861   1.250  -7.589
   76    H1     G 107           H1         G 107   2.971   3.284  -1.613
   77   1H2     G 107          1H2         G 107   2.052   5.257  -1.333
   78   2H2     G 107          2H2         G 107   0.984   5.988  -2.515
   79   1H2*    G 107          1H2*        G 107   1.351   5.201  -6.945
   80   2H2*    G 107          2H2*        G 107  -0.163   5.363  -7.807
   81   1H5*    T 108          1H5*        T 108   0.614   8.741 -10.828
   82   2H5*    T 108          2H5*        T 108   1.457   9.632  -9.551
   83    H4*    T 108           H4*        T 108  -0.700  10.543  -9.714
   84    H3*    T 108           H3*        T 108  -0.055   9.550  -7.223
   85   1H2*    T 108          1H2*        T 108  -1.026   7.423  -7.619
   86   2H2*    T 108          2H2*        T 108  -2.390   8.203  -6.782
   87    H1*    T 108           H1*        T 108  -3.449   8.799  -8.769
   88    H3     T 108           H3         T 108  -4.600   5.636 -12.073
   89   1H5M    T 108          1H5M        T 108  -2.473   2.559  -8.918
   90   2H5M    T 108          2H5M        T 108  -2.750   3.485  -7.433
   91   3H5M    T 108          3H5M        T 108  -4.108   2.772  -8.299
   92    H6     T 108           H6         T 108  -2.350   5.712  -7.835
   93   1H5*    T 109          1H5*        T 109  -3.903  12.349  -8.037
   94   2H5*    T 109          2H5*        T 109  -4.459  13.180  -6.577
   95    H4*    T 109           H4*        T 109  -6.335  12.574  -8.082
   96    H3*    T 109           H3*        T 109  -6.423  12.116  -5.344
   97   1H2*    T 109          1H2*        T 109  -5.663   9.916  -5.577
   98   2H2*    T 109          2H2*        T 109  -7.375   9.532  -5.475
   99    H1*    T 109           H1*        T 109  -7.637   9.854  -7.938
  100    H3     T 109           H3         T 109  -6.810   5.907 -10.008
  101   1H5M    T 109          1H5M        T 109  -3.603   5.803  -6.019
  102   2H5M    T 109          2H5M        T 109  -4.629   4.349  -6.163
  103   3H5M    T 109          3H5M        T 109  -5.033   5.599  -4.972
  104    H6     T 109           H6         T 109  -5.330   7.941  -5.923
  105   1H5*    C 110          1H5*        C 110  -9.341   9.255  -6.812
  106   2H5*    C 110          2H5*        C 110 -10.116  10.592  -7.700
  107    H4*    C 110           H4*        C 110 -11.204   8.417  -7.997
  108    H3*    C 110           H3*        C 110 -12.923  10.403  -6.475
  109    H1*    C 110           H1*        C 110 -12.646   6.686  -7.085
  110   1H4     C 110          1H4         C 110 -15.933   5.288  -1.591
  111   2H4     C 110          2H4         C 110 -16.872   4.505  -2.842
  112    H5     C 110           H5         C 110 -16.430   4.874  -5.259
  113    H6     C 110           H6         C 110 -14.932   6.010  -6.832
  114   1H2*    C 110          1H2*        C 110 -14.638   8.816  -6.665
  115   2H2*    C 110          2H2*        C 110 -13.982   8.049  -8.124
  116   1H5*    G 111          1H5*        G 111 -13.257   9.089 -10.957
  117   2H5*    G 111          2H5*        G 111 -14.481  10.021 -11.842
  118    H4*    G 111           H4*        G 111 -14.635   7.680 -12.464
  119    H3*    G 111           H3*        G 111 -16.921   9.060 -11.278
  120    H1*    G 111           H1*        G 111 -15.883   5.596 -11.555
  121    H8     G 111           H8         G 111 -17.402   5.583  -8.253
  122    H1     G 111           H1         G 111 -13.326   0.663  -9.025
  123   1H2     G 111          1H2         G 111 -11.886   1.155 -10.707
  124   2H2     G 111          2H2         G 111 -12.028   2.628 -11.658
  125   1H2*    G 111          1H2*        G 111 -16.845   7.557  -9.444
  126   2H2*    G 111          2H2*        G 111 -17.912   6.617 -10.533
  127   1H5*    G 112          1H5*        G 112 -14.270   8.000 -14.624
  128   2H5*    G 112          2H5*        G 112 -14.843   8.292 -16.272
  129    H4*    G 112           H4*        G 112 -13.170   6.457 -16.093
  130    H3*    G 112           H3*        G 112 -15.486   6.320 -17.643
  131    H1*    G 112           H1*        G 112 -14.182   3.475 -15.567
  132    H8     G 112           H8         G 112 -17.349   4.939 -13.774
  133    H1     G 112           H1         G 112 -15.056  -0.518 -11.259
  134   1H2     G 112          1H2         G 112 -13.254  -1.199 -12.484
  135   2H2     G 112          2H2         G 112 -12.666  -0.259 -13.837
  136   1H2*    G 112          1H2*        G 112 -16.717   5.060 -16.040
  137   2H2*    G 112          2H2*        G 112 -16.065   3.729 -17.017
  138   1H5*    G 113          1H5*        G 113 -12.483   2.537 -17.456
  139   2H5*    G 113          2H5*        G 113 -12.238   2.098 -19.157
  140    H4*    G 113           H4*        G 113 -12.101   0.107 -17.856
  141    H3*    G 113           H3*        G 113 -13.884   0.318 -20.021
  142    H1*    G 113           H1*        G 113 -14.525  -1.581 -16.907
  143    H8     G 113           H8         G 113 -16.836   1.584 -16.851
  144    H1     G 113           H1         G 113 -17.878  -2.512 -12.028
  145   1H2     G 113          1H2         G 113 -16.500  -4.274 -12.208
  146   2H2     G 113          2H2         G 113 -15.199  -4.294 -13.383
  147   1H2*    G 113          1H2*        G 113 -15.758   0.624 -18.582
  148   2H2*    G 113          2H2*        G 113 -15.880  -1.119 -18.855
  149   1H5*    C 114          1H5*        C 114 -13.757  -3.501 -17.282
  150   2H5*    C 114          2H5*        C 114 -13.511  -4.820 -18.364
  151    H4*    C 114           H4*        C 114 -14.907  -5.694 -16.629
  152    H3*    C 114           H3*        C 114 -16.662  -4.975 -19.036
  153    H1*    C 114           H1*        C 114 -17.407  -5.013 -15.245
  154   1H4     C 114          1H4         C 114 -21.380  -0.006 -15.814
  155   2H4     C 114          2H4         C 114 -20.624   0.505 -17.308
  156    H5     C 114           H5         C 114 -18.850  -0.828 -18.425
  157    H6     C 114           H6         C 114 -17.493  -2.800 -18.243
  158    H3T    C 114           H3T        C 114 -16.648  -7.249 -19.199
  159   2H2*    C 114          2H2*        C 114 -17.566  -6.676 -16.734
  160   1H2*    C 114          1H2*        C 114 -18.539  -5.633 -17.807
  161   1H    ASN  12          1H        ASN  12 -12.243 -10.978  -6.957
  162   2H    ASN  12          2H        ASN  12 -12.935  -9.492  -7.329
  163   3H    ASN  12          3H        ASN  12 -11.265  -9.675  -7.373
  164    HA   ASN  12           HA       ASN  12 -12.882  -8.895  -5.261
  165   1HB   ASN  12          1HB       ASN  12 -11.301 -11.434  -4.706
  166   2HB   ASN  12          2HB       ASN  12 -12.126 -10.439  -3.499
  167   1HD2  ASN  12          1HD2      ASN  12 -14.606 -10.028  -4.092
  168   2HD2  ASN  12          2HD2      ASN  12 -15.464 -11.472  -4.573
  169    H    VAL  13           H        VAL  13 -11.612  -7.840  -3.612
  170    HA   VAL  13           HA       VAL  13  -8.733  -7.461  -4.193
  171    HB   VAL  13           HB       VAL  13  -9.103  -4.995  -4.127
  172   1HG1  VAL  13          1HG1      VAL  13  -8.776  -6.226  -6.286
  173   2HG1  VAL  13          2HG1      VAL  13 -10.548  -6.230  -6.493
  174   3HG1  VAL  13          3HG1      VAL  13  -9.654  -4.701  -6.410
  175   1HG2  VAL  13          1HG2      VAL  13 -11.301  -4.862  -3.087
  176   2HG2  VAL  13          2HG2      VAL  13 -11.274  -4.015  -4.634
  177   3HG2  VAL  13          3HG2      VAL  13 -12.050  -5.601  -4.524
  178    H    LYS  14           H        LYS  14  -7.704  -6.105  -2.630
  179    HA   LYS  14           HA       LYS  14  -8.986  -5.704  -0.028
  180   1HB   LYS  14          1HB       LYS  14  -6.286  -6.473   0.489
  181   2HB   LYS  14          2HB       LYS  14  -7.771  -7.082   1.176
  182   1HG   LYS  14          1HG       LYS  14  -7.897  -8.716  -0.770
  183   2HG   LYS  14          2HG       LYS  14  -6.421  -7.986  -1.435
  184   1HD   LYS  14          1HD       LYS  14  -5.814 -10.027  -0.342
  185   2HD   LYS  14          2HD       LYS  14  -5.158  -8.665   0.570
  186   1HE   LYS  14          1HE       LYS  14  -6.036 -10.359   2.076
  187   2HE   LYS  14          2HE       LYS  14  -7.003  -8.888   2.231
  188   1HZ   LYS  14          1HZ       LYS  14  -7.743 -11.259   0.652
  189   2HZ   LYS  14          2HZ       LYS  14  -8.332 -10.879   2.141
  190   3HZ   LYS  14          3HZ       LYS  14  -8.680  -9.919   0.859
  191    H    CYS  15           H        CYS  15  -8.886  -3.623   0.187
  192    HA   CYS  15           HA       CYS  15  -7.500  -1.857  -1.462
  193   1HB   CYS  15          1HB       CYS  15  -9.500  -1.275  -0.258
  194   2HB   CYS  15          2HB       CYS  15  -8.721  -1.590   1.295
  195    H    PHE  16           H        PHE  16  -5.380  -1.155  -1.524
  196    HA   PHE  16           HA       PHE  16  -3.389  -1.925   0.354
  197   1HB   PHE  16          1HB       PHE  16  -3.490   0.439  -1.556
  198   2HB   PHE  16          2HB       PHE  16  -2.067  -0.140  -0.739
  199    HD1  PHE  16           HD1      PHE  16  -1.270  -2.584  -1.248
  200    HD2  PHE  16           HD2      PHE  16  -4.149  -0.462  -3.656
  201    HE1  PHE  16           HE1      PHE  16  -0.529  -3.839  -3.261
  202    HE2  PHE  16           HE2      PHE  16  -3.274  -1.578  -5.666
  203    HZ   PHE  16           HZ       PHE  16  -1.471  -3.240  -5.509
  204    H    ASN  17           H        ASN  17  -5.295   1.032  -0.103
  205    HA   ASN  17           HA       ASN  17  -4.001   2.563   1.892
  206   1HB   ASN  17          1HB       ASN  17  -5.099   3.352  -0.223
  207   2HB   ASN  17          2HB       ASN  17  -6.672   3.047   0.518
  208   1HD2  ASN  17          1HD2      ASN  17  -7.088   5.362   0.134
  209   2HD2  ASN  17          2HD2      ASN  17  -6.470   6.541   1.261
  210    H    CYS  18           H        CYS  18  -6.151   0.012   2.549
  211    HA   CYS  18           HA       CYS  18  -6.351   0.975   5.254
  212   1HB   CYS  18          1HB       CYS  18  -8.612   1.116   5.640
  213   2HB   CYS  18          2HB       CYS  18  -8.309   2.176   4.278
  214    H    GLY  19           H        GLY  19  -7.058  -1.566   2.869
  215   1HA   GLY  19          1HA       GLY  19  -6.462  -3.850   3.358
  216   2HA   GLY  19          2HA       GLY  19  -7.017  -3.639   5.024
  217    H    LYS  20           H        LYS  20  -9.476  -2.326   4.514
  218    HA   LYS  20           HA       LYS  20 -11.155  -4.530   4.263
  219   1HB   LYS  20          1HB       LYS  20 -11.798  -1.587   3.954
  220   2HB   LYS  20          2HB       LYS  20 -13.015  -2.868   4.056
  221   1HG   LYS  20          1HG       LYS  20 -12.150  -3.574   6.239
  222   2HG   LYS  20          2HG       LYS  20 -10.904  -2.307   6.184
  223   1HD   LYS  20          1HD       LYS  20 -12.645  -0.557   6.152
  224   2HD   LYS  20          2HD       LYS  20 -13.910  -1.795   6.073
  225   1HE   LYS  20          1HE       LYS  20 -13.744  -0.955   8.346
  226   2HE   LYS  20          2HE       LYS  20 -13.250  -2.654   8.298
  227   1HZ   LYS  20          1HZ       LYS  20 -11.434  -0.340   8.354
  228   2HZ   LYS  20          2HZ       LYS  20 -11.794  -1.317   9.631
  229   3HZ   LYS  20          3HZ       LYS  20 -10.974  -1.924   8.340
  230    H    GLU  21           H        GLU  21 -12.272  -5.512   2.719
  231    HA   GLU  21           HA       GLU  21 -11.321  -5.287   0.026
  232   1HB   GLU  21          1HB       GLU  21 -13.446  -7.084   1.290
  233   2HB   GLU  21          2HB       GLU  21 -12.682  -7.328  -0.283
  234   1HG   GLU  21          1HG       GLU  21 -10.431  -7.259   1.004
  235   2HG   GLU  21          2HG       GLU  21 -11.401  -7.532   2.458
  236    H    GLY  22           H        GLY  22 -13.111  -5.872  -1.687
  237   1HA   GLY  22          1HA       GLY  22 -15.018  -5.289  -2.867
  238   2HA   GLY  22          2HA       GLY  22 -15.509  -4.166  -1.591
  239    H    HIS  23           H        HIS  23 -13.539  -2.416  -1.287
  240    HA   HIS  23           HA       HIS  23 -13.268  -1.033  -3.894
  241   1HB   HIS  23          1HB       HIS  23 -12.732   0.883  -2.405
  242   2HB   HIS  23          2HB       HIS  23 -14.356   0.312  -2.251
  243    HD1  HIS  23           HD1      HIS  23 -14.689  -0.952   0.245
  244    HD2  HIS  23           HD2      HIS  23 -11.010   0.907  -0.460
  245    HE1  HIS  23           HE1      HIS  23 -13.520  -0.734   2.487
  246    H    THR  24           H        THR  24 -11.297   0.231  -4.114
  247    HA   THR  24           HA       THR  24  -8.839  -1.236  -3.270
  248    HB   THR  24           HB       THR  24  -7.870  -0.671  -5.410
  249    HG1  THR  24           HG1      THR  24  -9.200   0.342  -6.980
  250   1HG2  THR  24          1HG2      THR  24 -10.647  -1.729  -5.961
  251   2HG2  THR  24          2HG2      THR  24  -9.111  -2.167  -6.746
  252   3HG2  THR  24          3HG2      THR  24  -9.448  -2.667  -5.073
  253    H    ALA  25           H        ALA  25  -6.979   0.652  -4.149
  254    HA   ALA  25           HA       ALA  25  -6.833   2.447  -2.012
  255   1HB   ALA  25          1HB       ALA  25  -5.420   2.458  -4.716
  256   2HB   ALA  25          2HB       ALA  25  -4.941   3.440  -3.311
  257   3HB   ALA  25          3HB       ALA  25  -4.878   1.675  -3.221
  258    H    ARG  26           H        ARG  26  -7.620   3.270  -5.475
  259    HA   ARG  26           HA       ARG  26  -8.242   5.962  -5.116
  260   1HB   ARG  26          1HB       ARG  26  -9.996   5.371  -7.018
  261   2HB   ARG  26          2HB       ARG  26  -8.282   5.470  -7.305
  262   1HG   ARG  26          1HG       ARG  26  -8.092   3.001  -7.303
  263   2HG   ARG  26          2HG       ARG  26  -9.811   2.880  -6.873
  264   1HD   ARG  26          1HD       ARG  26 -10.466   3.891  -8.968
  265   2HD   ARG  26          2HD       ARG  26  -8.797   4.257  -9.394
  266    HE   ARG  26           HE       ARG  26 -10.197   1.664  -9.526
  267   1HH1  ARG  26          1HH1      ARG  26  -6.978   3.175  -9.624
  268   2HH1  ARG  26          2HH1      ARG  26  -6.349   2.035 -10.780
  269   1HH2  ARG  26          1HH2      ARG  26  -9.363   0.169 -10.971
  270   2HH2  ARG  26          2HH2      ARG  26  -7.715   0.253 -11.540
  271    H    ASN  27           H        ASN  27 -10.427   3.144  -4.895
  272    HA   ASN  27           HA       ASN  27 -12.715   4.767  -4.322
  273   1HB   ASN  27          1HB       ASN  27 -12.341   1.816  -4.123
  274   2HB   ASN  27          2HB       ASN  27 -13.899   2.648  -4.208
  275   1HD2  ASN  27          1HD2      ASN  27 -11.818   0.834  -6.000
  276   2HD2  ASN  27          2HD2      ASN  27 -12.065   1.522  -7.581
  277    H    CYS  28           H        CYS  28 -10.181   4.022  -2.318
  278    HA   CYS  28           HA       CYS  28 -11.701   3.689   0.163
  279   1HB   CYS  28          1HB       CYS  28  -9.358   2.777  -0.363
  280   2HB   CYS  28          2HB       CYS  28  -8.781   4.411  -0.162
  281    H    ARG  29           H        ARG  29 -12.783   5.494   0.957
  282    HA   ARG  29           HA       ARG  29 -11.697   8.201   0.447
  283   1HB   ARG  29          1HB       ARG  29 -14.213   7.311   1.901
  284   2HB   ARG  29          2HB       ARG  29 -13.692   8.984   1.600
  285   1HG   ARG  29          1HG       ARG  29 -13.549   8.335  -0.889
  286   2HG   ARG  29          2HG       ARG  29 -14.455   6.877  -0.450
  287   1HD   ARG  29          1HD       ARG  29 -16.318   8.241   0.359
  288   2HD   ARG  29          2HD       ARG  29 -15.413   9.732   0.082
  289    HE   ARG  29           HE       ARG  29 -16.835   8.114  -1.870
  290   1HH1  ARG  29          1HH1      ARG  29 -14.145  10.416  -1.535
  291   2HH1  ARG  29          2HH1      ARG  29 -14.202  10.909  -3.206
  292   1HH2  ARG  29          1HH2      ARG  29 -16.896   8.786  -4.054
  293   2HH2  ARG  29          2HH2      ARG  29 -15.777   9.993  -4.635
  294    H    ALA  30           H        ALA  30  -9.723   7.231   1.497
  295    HA   ALA  30           HA       ALA  30  -9.569   8.273   4.234
  296   1HB   ALA  30          1HB       ALA  30  -9.700   5.780   4.464
  297   2HB   ALA  30          2HB       ALA  30  -8.266   5.644   3.412
  298   3HB   ALA  30          3HB       ALA  30  -8.142   6.436   4.987
  299    HA   PRO  31           HA       PRO  31  -6.150  10.410   2.481
  300   1HB   PRO  31          1HB       PRO  31  -4.435   9.511   4.803
  301   2HB   PRO  31          2HB       PRO  31  -4.681  11.158   4.162
  302   1HG   PRO  31          1HG       PRO  31  -5.957  10.369   6.422
  303   2HG   PRO  31          2HG       PRO  31  -6.856  11.281   5.170
  304   1HD   PRO  31          1HD       PRO  31  -6.822   8.275   5.600
  305   2HD   PRO  31          2HD       PRO  31  -8.213   9.351   5.389
  306    H    ARG  32           H        ARG  32  -5.003   9.689   0.722
  307    HA   ARG  32           HA       ARG  32  -3.986   6.935   0.718
  308   1HB   ARG  32          1HB       ARG  32  -3.755   7.063  -1.600
  309   2HB   ARG  32          2HB       ARG  32  -5.339   7.688  -1.180
  310   1HG   ARG  32          1HG       ARG  32  -2.887   9.297  -2.031
  311   2HG   ARG  32          2HG       ARG  32  -4.308   8.920  -3.004
  312   1HD   ARG  32          1HD       ARG  32  -5.696  10.164  -1.225
  313   2HD   ARG  32          2HD       ARG  32  -4.152  10.835  -0.653
  314    HE   ARG  32           HE       ARG  32  -5.686  11.608  -2.943
  315   1HH1  ARG  32          1HH1      ARG  32  -2.289  11.241  -1.934
  316   2HH1  ARG  32          2HH1      ARG  32  -1.721  12.471  -3.034
  317   1HH2  ARG  32          1HH2      ARG  32  -4.917  13.313  -4.250
  318   2HH2  ARG  32          2HH2      ARG  32  -3.199  13.599  -4.382
  319    H    LYS  33           H        LYS  33  -1.887   6.376   0.008
  320    HA   LYS  33           HA       LYS  33   0.093   7.984   1.415
  321   1HB   LYS  33          1HB       LYS  33   0.256   5.258   0.118
  322   2HB   LYS  33          2HB       LYS  33   1.375   5.908   1.300
  323   1HG   LYS  33          1HG       LYS  33  -1.537   5.093   1.752
  324   2HG   LYS  33          2HG       LYS  33  -0.086   4.308   2.385
  325   1HD   LYS  33          1HD       LYS  33   0.479   6.202   3.733
  326   2HD   LYS  33          2HD       LYS  33  -0.945   7.106   3.161
  327   1HE   LYS  33          1HE       LYS  33  -1.102   4.448   4.643
  328   2HE   LYS  33          2HE       LYS  33  -1.233   6.038   5.412
  329   1HZ   LYS  33          1HZ       LYS  33  -3.145   6.495   4.028
  330   2HZ   LYS  33          2HZ       LYS  33  -3.064   5.006   3.353
  331   3HZ   LYS  33          3HZ       LYS  33  -3.372   5.156   4.958
  332    H    LYS  34           H        LYS  34   2.135   8.346   0.685
  333    HA   LYS  34           HA       LYS  34   2.470   9.158  -2.147
  334   1HB   LYS  34          1HB       LYS  34   3.897   9.624   0.495
  335   2HB   LYS  34          2HB       LYS  34   4.714   9.949  -1.043
  336   1HG   LYS  34          1HG       LYS  34   3.227  11.674  -1.633
  337   2HG   LYS  34          2HG       LYS  34   2.018  11.182  -0.441
  338   1HD   LYS  34          1HD       LYS  34   3.368  13.260   0.156
  339   2HD   LYS  34          2HD       LYS  34   3.241  11.999   1.383
  340   1HE   LYS  34          1HE       LYS  34   5.508  12.939   1.304
  341   2HE   LYS  34          2HE       LYS  34   5.507  11.217   0.943
  342   1HZ   LYS  34          1HZ       LYS  34   5.604  11.830  -1.409
  343   2HZ   LYS  34          2HZ       LYS  34   5.769  13.417  -0.982
  344   3HZ   LYS  34          3HZ       LYS  34   6.912  12.305  -0.535
  345    H    GLY  35           H        GLY  35   4.393   7.541   0.396
  346   1HA   GLY  35          1HA       GLY  35   6.087   6.172  -1.559
  347   2HA   GLY  35          2HA       GLY  35   6.250   6.284   0.205
  348    H    CYS  36           H        CYS  36   6.907   4.071  -0.424
  349    HA   CYS  36           HA       CYS  36   5.677   1.831  -1.071
  350   1HB   CYS  36          1HB       CYS  36   7.911   2.133  -0.095
  351   2HB   CYS  36          2HB       CYS  36   7.186   2.304   1.509
  352    H    TRP  37           H        TRP  37   3.637   1.015  -0.745
  353    HA   TRP  37           HA       TRP  37   1.987   1.908   1.402
  354   1HB   TRP  37          1HB       TRP  37   1.795  -0.279  -0.685
  355   2HB   TRP  37          2HB       TRP  37   0.634  -0.210   0.630
  356    HD1  TRP  37           HD1      TRP  37   0.087   2.892   0.770
  357    HE1  TRP  37           HE1      TRP  37  -1.367   3.991  -1.018
  358    HE3  TRP  37           HE3      TRP  37   0.689  -0.529  -3.004
  359    HZ2  TRP  37           HZ2      TRP  37  -2.364   3.357  -3.613
  360    HZ3  TRP  37           HZ3      TRP  37  -0.475  -0.201  -5.162
  361    HH2  TRP  37           HH2      TRP  37  -2.105   1.627  -5.447
  362    H    LYS  38           H        LYS  38   3.956  -1.080   1.023
  363    HA   LYS  38           HA       LYS  38   2.831  -2.207   3.422
  364   1HB   LYS  38          1HB       LYS  38   3.589  -3.505   1.467
  365   2HB   LYS  38          2HB       LYS  38   5.250  -3.107   1.806
  366   1HG   LYS  38          1HG       LYS  38   4.977  -5.206   2.856
  367   2HG   LYS  38          2HG       LYS  38   4.633  -4.130   4.222
  368   1HD   LYS  38          1HD       LYS  38   2.135  -4.341   3.572
  369   2HD   LYS  38          2HD       LYS  38   2.647  -5.527   2.369
  370   1HE   LYS  38          1HE       LYS  38   1.913  -6.796   4.217
  371   2HE   LYS  38          2HE       LYS  38   3.679  -6.867   4.290
  372   1HZ   LYS  38          1HZ       LYS  38   3.543  -5.079   5.941
  373   2HZ   LYS  38          2HZ       LYS  38   1.901  -5.138   5.880
  374   3HZ   LYS  38          3HZ       LYS  38   2.754  -6.435   6.429
  375    H    CYS  39           H        CYS  39   6.336  -1.601   2.800
  376    HA   CYS  39           HA       CYS  39   6.843  -1.552   5.579
  377   1HB   CYS  39          1HB       CYS  39   8.971  -1.333   5.310
  378   2HB   CYS  39          2HB       CYS  39   8.605  -2.020   3.755
  379    H    GLY  40           H        GLY  40   6.247   1.193   3.346
  380   1HA   GLY  40          1HA       GLY  40   5.017   3.048   4.377
  381   2HA   GLY  40          2HA       GLY  40   6.165   3.045   5.705
  382    H    LYS  41           H        LYS  41   8.586   2.804   4.347
  383    HA   LYS  41           HA       LYS  41   9.302   5.453   4.018
  384   1HB   LYS  41          1HB       LYS  41  10.592   2.910   3.003
  385   2HB   LYS  41          2HB       LYS  41  11.375   4.501   2.905
  386   1HG   LYS  41          1HG       LYS  41  11.482   4.751   5.240
  387   2HG   LYS  41          2HG       LYS  41  10.343   3.436   5.555
  388   1HD   LYS  41          1HD       LYS  41  12.608   2.729   6.103
  389   2HD   LYS  41          2HD       LYS  41  11.927   1.772   4.788
  390   1HE   LYS  41          1HE       LYS  41  14.287   2.298   4.375
  391   2HE   LYS  41          2HE       LYS  41  13.268   3.029   3.134
  392   1HZ   LYS  41          1HZ       LYS  41  14.381   4.417   5.474
  393   2HZ   LYS  41          2HZ       LYS  41  14.945   4.523   3.930
  394   3HZ   LYS  41          3HZ       LYS  41  13.451   5.110   4.300
  395    H    GLU  42           H        GLU  42   9.522   6.903   2.405
  396    HA   GLU  42           HA       GLU  42   8.383   6.221  -0.245
  397   1HB   GLU  42          1HB       GLU  42   8.088   8.531  -0.619
  398   2HB   GLU  42          2HB       GLU  42   7.488   8.165   0.986
  399   1HG   GLU  42          1HG       GLU  42   9.534   9.096   2.009
  400   2HG   GLU  42          2HG       GLU  42  10.182   9.465   0.401
  401    H    GLY  43           H        GLY  43   9.604   8.033  -1.854
  402   1HA   GLY  43          1HA       GLY  43  11.480   8.321  -3.167
  403   2HA   GLY  43          2HA       GLY  43  12.485   7.523  -1.945
  404    H    HIS  44           H        HIS  44   9.796   5.567  -2.481
  405    HA   HIS  44           HA       HIS  44  10.361   4.234  -4.922
  406   1HB   HIS  44          1HB       HIS  44  11.199   2.136  -4.020
  407   2HB   HIS  44          2HB       HIS  44  12.325   3.407  -3.586
  408    HD1  HIS  44           HD1      HIS  44  12.693   3.872  -1.062
  409    HD2  HIS  44           HD2      HIS  44   9.653   1.079  -1.821
  410    HE1  HIS  44           HE1      HIS  44  12.063   2.764   1.160
  411    H    GLN  45           H        GLN  45   8.904   2.192  -4.977
  412    HA   GLN  45           HA       GLN  45   6.541   2.530  -3.144
  413   1HB   GLN  45          1HB       GLN  45   6.696   1.695  -6.058
  414   2HB   GLN  45          2HB       GLN  45   5.274   1.445  -5.035
  415   1HG   GLN  45          1HG       GLN  45   5.192   3.860  -4.504
  416   2HG   GLN  45          2HG       GLN  45   6.591   4.146  -5.552
  417   1HE2  GLN  45          1HE2      GLN  45   3.904   5.324  -5.748
  418   2HE2  GLN  45          2HE2      GLN  45   3.429   4.987  -7.388
  419    H    MET  46           H        MET  46   5.326   0.494  -2.833
  420    HA   MET  46           HA       MET  46   6.825  -1.413  -1.470
  421   1HB   MET  46          1HB       MET  46   4.576  -0.997  -0.983
  422   2HB   MET  46          2HB       MET  46   4.017  -1.418  -2.591
  423   1HG   MET  46          1HG       MET  46   5.421  -3.392  -0.747
  424   2HG   MET  46          2HG       MET  46   3.684  -3.085  -0.675
  425   1HE   MET  46          1HE       MET  46   1.890  -3.966  -2.168
  426   2HE   MET  46          2HE       MET  46   2.485  -2.931  -3.488
  427   3HE   MET  46          3HE       MET  46   2.159  -4.650  -3.786
  428    H    LYS  47           H        LYS  47   5.703  -1.499  -4.793
  429    HA   LYS  47           HA       LYS  47   6.496  -4.057  -5.604
  430   1HB   LYS  47          1HB       LYS  47   6.908  -1.574  -7.288
  431   2HB   LYS  47          2HB       LYS  47   6.528  -3.209  -7.830
  432   1HG   LYS  47          1HG       LYS  47   4.675  -1.229  -6.426
  433   2HG   LYS  47          2HG       LYS  47   4.644  -1.750  -8.104
  434   1HD   LYS  47          1HD       LYS  47   4.036  -4.050  -7.424
  435   2HD   LYS  47          2HD       LYS  47   4.151  -3.590  -5.716
  436   1HE   LYS  47          1HE       LYS  47   1.809  -3.579  -6.379
  437   2HE   LYS  47          2HE       LYS  47   2.339  -1.929  -6.011
  438   1HZ   LYS  47          1HZ       LYS  47   2.604  -1.591  -8.389
  439   2HZ   LYS  47          2HZ       LYS  47   1.997  -3.093  -8.693
  440   3HZ   LYS  47          3HZ       LYS  47   1.064  -1.932  -7.976
  441    H    ASP  48           H        ASP  48   8.421  -1.073  -5.357
  442    HA   ASP  48           HA       ASP  48  10.850  -2.127  -6.504
  443   1HB   ASP  48          1HB       ASP  48  10.306   0.404  -4.935
  444   2HB   ASP  48          2HB       ASP  48  11.663   0.143  -6.003
  445    H    CYS  49           H        CYS  49   9.752  -1.131  -3.326
  446    HA   CYS  49           HA       CYS  49  11.542  -0.817  -1.573
  447   1HB   CYS  49          1HB       CYS  49   9.115  -1.262  -1.162
  448   2HB   CYS  49          2HB       CYS  49   9.530  -2.980  -1.184
  449    H    THR  50           H        THR  50  13.353  -1.514  -0.872
  450    HA   THR  50           HA       THR  50  14.386  -4.240  -1.437
  451    HB   THR  50           HB       THR  50  16.558  -3.243  -0.959
  452    HG1  THR  50           HG1      THR  50  14.998  -1.027  -0.157
  453   1HG2  THR  50          1HG2      THR  50  14.976  -1.382  -2.792
  454   2HG2  THR  50          2HG2      THR  50  16.725  -1.669  -2.798
  455   3HG2  THR  50          3HG2      THR  50  15.616  -2.976  -3.252
  456    H    GLU  51           H        GLU  51  12.944  -2.435   1.084
  457    HA   GLU  51           HA       GLU  51  14.515  -3.284   3.335
  458   1HB   GLU  51          1HB       GLU  51  11.672  -2.199   3.178
  459   2HB   GLU  51          2HB       GLU  51  12.639  -2.306   4.611
  460   1HG   GLU  51          1HG       GLU  51  12.972  -0.128   4.015
  461   2HG   GLU  51          2HG       GLU  51  14.369  -0.795   3.169
  462    H    ARG  52           H        ARG  52  11.262  -4.003   2.234
  463    HA   ARG  52           HA       ARG  52   9.824  -5.746   2.432
  464   1HB   ARG  52          1HB       ARG  52  12.334  -7.450   2.507
  465   2HB   ARG  52          2HB       ARG  52  10.690  -7.990   2.143
  466   1HG   ARG  52          1HG       ARG  52  10.627  -6.525   0.141
  467   2HG   ARG  52          2HG       ARG  52  12.257  -5.936   0.505
  468   1HD   ARG  52          1HD       ARG  52  12.406  -7.604  -1.213
  469   2HD   ARG  52          2HD       ARG  52  13.167  -8.210   0.273
  470    HE   ARG  52           HE       ARG  52  10.431  -9.023   0.201
  471   1HH1  ARG  52          1HH1      ARG  52  13.503  -9.704  -1.437
  472   2HH1  ARG  52          2HH1      ARG  52  13.072 -11.345  -1.845
  473   1HH2  ARG  52          1HH2      ARG  52   9.874 -11.180  -0.333
  474   2HH2  ARG  52          2HH2      ARG  52  10.994 -12.187  -1.214
  475    H    GLN  53           H        GLN  53  10.374  -4.320   4.736
  476    HA   GLN  53           HA       GLN  53  10.859  -5.938   7.042
  477   1HB   GLN  53          1HB       GLN  53  11.126  -3.443   6.786
  478   2HB   GLN  53          2HB       GLN  53   9.363  -3.317   6.877
  479   1HG   GLN  53          1HG       GLN  53  10.397  -2.924   9.039
  480   2HG   GLN  53          2HG       GLN  53   9.398  -4.369   9.129
  481   1HE2  GLN  53          1HE2      GLN  53  12.806  -3.385   8.363
  482   2HE2  GLN  53          2HE2      GLN  53  13.557  -4.704   9.236
  483    H    ALA  54           H        ALA  54   8.054  -5.355   5.037
  484    HA   ALA  54           HA       ALA  54   5.936  -6.040   5.039
  485   1HB   ALA  54          1HB       ALA  54   6.841  -8.285   5.568
  486   2HB   ALA  54          2HB       ALA  54   6.614  -7.968   7.301
  487   3HB   ALA  54          3HB       ALA  54   5.216  -8.012   6.219
  488    H    ASN  55           H        ASN  55   6.358  -3.704   6.054
  489    HA   ASN  55           HA       ASN  55   5.532  -2.011   7.250
  490   1HB   ASN  55          1HB       ASN  55   3.314  -3.108   6.902
  491   2HB   ASN  55          2HB       ASN  55   3.482  -3.899   8.475
  492   1HD2  ASN  55          1HD2      ASN  55   3.705  -0.640   6.924
  493   2HD2  ASN  55          2HD2      ASN  55   2.956   0.225   8.254