*HEADER    CALCIUM-BINDING PROTEIN                 07-JUL-95   1TNP    
*COMPND    MOL_ID: 1;                                                  
*COMPND   2 MOLECULE: TROPONIN-C (APO);                                
*COMPND   3 CHAIN: NULL;                                               
*COMPND   4 DOMAIN: N-TERMINAL REGULATORY DOMAIN, RESIDUES 1 - 90;     
*COMPND   5 SYNONYM: NTNC APO;                                         
*COMPND   6 ENGINEERED: YES                                            
*SOURCE    MOL_ID: 1;                                                  
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                        
*SOURCE   3 ORGANISM_COMMON: CHICKEN;                                  
*SOURCE   4 TISSUE: SKELETON;                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET3A;                          
*SOURCE   7 EXPRESSION_SYSTEM_GENE: NTNC                               
*KEYWDS    EF-HAND                                                     
*EXPDTA    NMR, 40 STRUCTURES                                          
*AUTHOR    S.M.GAGNE,B.D.SYKES                                         
*REVDAT   1   15-OCT-95 1TNP    0                                      



**************************************************************
*                                                            *
*             Author         :  Brian D. Sykes               *
*             Date submitted :  Tue Jul  4 1995              *
*                                                            *
**************************************************************
!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_58:HD1*   1:LEU_58:HD2*   1:LEU_58:CD1    1:LEU_58:CD2    1:LEU_58:CG    
1:VAL_65:HG2*   1:VAL_65:HG1*   1:VAL_65:CG2    1:VAL_65:CG1    1:VAL_65:CB    
1:LEU_49:HD2*   1:LEU_49:HD1*   1:LEU_49:CD2    1:LEU_49:CD1    1:LEU_49:CG    
1:VAL_45:HG1*   1:VAL_45:HG2*   1:VAL_45:CG1    1:VAL_45:CG2    1:VAL_45:CB    
1:VAL_83:HG1*   1:VAL_83:HG2*   1:VAL_83:CG1    1:VAL_83:CG2    1:VAL_83:CB    
1:VAL_80:HG1*   1:VAL_80:HG2*   1:VAL_80:CG1    1:VAL_80:CG2    1:VAL_80:CB    
1:LEU_79:HD2*   1:LEU_79:HD1*   1:LEU_79:CD2    1:LEU_79:CD1    1:LEU_79:CG    
1:LEU_14:HD2*   1:LEU_14:HD1*   1:LEU_14:CD2    1:LEU_14:CD1    1:LEU_14:CG    
1:LEU_42:HD2*   1:LEU_42:HD1*   1:LEU_42:CD2    1:LEU_42:CD1    1:LEU_42:CG    
!
#chiral
1:ALAN_1:CA        S
1:SER_2:CA         S
1:MET_3:CA         S
1:THR_4:CA         S
1:THR_4:CB         R
1:ASP-_5:CA        S
1:GLN_6:CA         S
1:GLN_7:CA         S
1:ALA_8:CA         S
1:GLU-_9:CA        S
1:ALA_10:CA        S
1:ARG+_11:CA       S
1:ALA_12:CA        S
1:PHE_13:CA        S
1:LEU_14:CA        S
1:SER_15:CA        S
1:GLU-_16:CA       S
1:GLU-_17:CA       S
1:MET_18:CA        S
1:ILE_19:CA        S
1:ILE_19:CB        S
1:ALA_20:CA        S
1:GLU-_21:CA       S
1:PHE_22:CA        S
1:LYS+_23:CA       S
1:ALA_24:CA        S
1:ALA_25:CA        S
1:PHE_26:CA        S
1:ASP-_27:CA       S
1:MET_28:CA        S
1:PHE_29:CA        S
1:ASP-_30:CA       S
1:ALA_31:CA        S
1:ASP-_32:CA       S
1:ASP-_36:CA       S
1:ILE_37:CA        S
1:ILE_37:CB        S
1:SER_38:CA        S
1:THR_39:CA        S
1:THR_39:CB        R
1:LYS+_40:CA       S
1:GLU-_41:CA       S
1:LEU_42:CA        S
1:THR_44:CA        S
1:THR_44:CB        R
1:VAL_45:CA        S
1:MET_46:CA        S
1:ARG+_47:CA       S
1:MET_48:CA        S
1:LEU_49:CA        S
1:GLN_51:CA        S
1:ASN_52:CA        S
1:PRO_53:CA        S
1:THR_54:CA        S
1:THR_54:CB        R
1:LYS+_55:CA       S
1:GLU-_56:CA       S
1:GLU-_57:CA       S
1:LEU_58:CA        S
1:ASP-_59:CA       S
1:ALA_60:CA        S
1:ILE_61:CA        S
1:ILE_61:CB        S
1:ILE_62:CA        S
1:ILE_62:CB        S
1:GLU-_63:CA       S
1:GLU-_64:CA       S
1:VAL_65:CA        S
1:ASP-_66:CA       S
1:GLU-_67:CA       S
1:ASP-_68:CA       S
1:SER_70:CA        S
1:THR_72:CA        S
1:THR_72:CB        R
1:ILE_73:CA        S
1:ILE_73:CB        S
1:ASP-_74:CA       S
1:PHE_75:CA        S
1:GLU-_76:CA       S
1:GLU-_77:CA       S
1:PHE_78:CA        S
1:LEU_79:CA        S
1:VAL_80:CA        S
1:MET_81:CA        S
1:MET_82:CA        S
1:VAL_83:CA        S
1:ARG+_84:CA       S
1:GLN_85:CA        S
1:MET_86:CA        S
1:LYS+_87:CA       S
1:GLU-_88:CA       S
1:ASP-_89:CA       S
1:ALAC_90:CA       S
!
#NOE_distance
1:SER_70:HN        1:GLY_71:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_34:HN        1:GLY_35:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_72:HN        1:GLY_71:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HN       1:GLY_35:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:LYS+_23:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:LYS+_23:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_75:HZ        1:LYS+_23:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_75:HE*       1:LYS+_23:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_20:HA        1:LYS+_23:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HB1       1:LYS+_23:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HB2       1:LYS+_23:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HA       1:LYS+_23:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HB1      1:LYS+_23:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HB2      1:LYS+_23:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HD1      1:LYS+_23:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HD2      1:LYS+_23:HN       -1.000  5.100  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HN        1:ASP-_27:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_69:HN        1:SER_70:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_21:HN       1:PHE_22:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:MET_28:HN        1:ASP-_27:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:PHE_22:HN        -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HD*       1:ASP-_27:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:LYS+_23:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:PHE_22:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_15:HA        1:GLU-_16:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_27:HA       1:ASP-_27:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_70:HA        1:SER_70:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_21:HA       1:PHE_22:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_70:HB1       1:SER_70:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_70:HB2       1:SER_70:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_23:HA       1:ASP-_27:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HA        1:ASP-_27:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HB2       1:PHE_22:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HB1       1:PHE_22:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:ASP-_27:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:ASP-_27:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_27:HB1      1:ASP-_27:HN       -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:ASP-_27:HB2      1:ASP-_27:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_16:HB1      1:GLU-_16:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_16:HB2      1:GLU-_16:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_16:HG1      1:GLU-_16:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_16:HG2      1:GLU-_16:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HN        1:ILE_73:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:MET_18:HN        1:GLU-_17:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_44:HN        1:GLY_43:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HN        1:GLY_43:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_72:HA        1:ILE_73:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_17:HA       1:GLU-_17:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_15:HB2       1:GLU-_17:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:SER_15:HB1       1:GLU-_17:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_16:HA       1:GLU-_17:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_43:HA1       1:GLY_43:HN        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLY_43:HA2       1:GLY_43:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_17:HG2      1:GLU-_17:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_17:HG1      1:GLU-_17:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_16:HB1      1:GLU-_17:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_16:HB2      1:GLU-_17:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_73:HB        1:ILE_73:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_73:HG12      1:ILE_73:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_73:HG11      1:ILE_73:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_58:HG        1:GLY_43:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HB2       1:GLY_43:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_42:HB1       1:GLY_43:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_58:HD1*      1:GLY_43:HN        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_58:HD2*      1:GLY_43:HN        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:GLY_33:HN        1:GLY_34:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_57:HN       1:THR_54:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_57:HN       1:GLU-_56:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_54:HA        1:LYS+_55:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_34:HA1       1:GLY_34:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_34:HA2       1:GLY_34:HN        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLY_33:HA2       1:GLY_34:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_33:HA1       1:GLY_34:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_57:HB1      1:THR_54:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_57:HB2      1:THR_54:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PRO_53:HB1       1:THR_54:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_53:HB2       1:THR_54:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_54:HG2*      1:LYS+_55:HN       -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:GLU-_56:HA       1:GLU-_56:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HG        1:GLY_43:HN        -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:GLU-_56:HG2      1:GLU-_56:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_56:HG1      1:GLU-_56:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_56:HB1      1:GLU-_56:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_56:HB2      1:GLU-_56:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_57:HG1      1:GLU-_56:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_55:HB1      1:LYS+_55:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_55:HB2      1:LYS+_55:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_55:HB2      1:GLU-_56:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_55:HB1      1:GLU-_56:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_52:HA        1:ASN_52:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_51:HA        1:ASN_52:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PRO_53:HD2       1:ASN_52:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_52:HB1       1:ASN_52:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_52:HB2       1:ASN_52:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_53:HB2       1:ASN_52:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:ALA_60:HN        1:ASP-_59:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_59:HA       1:ASP-_59:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_58:HA        1:ASP-_59:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_59:HB1      1:ASP-_59:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_59:HB2      1:ASP-_59:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_40:HN       1:THR_39:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_77:HN       1:PHE_78:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HN        1:PHE_78:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_67:HN       1:ASP-_68:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HN        1:ILE_62:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_63:HN       1:ILE_62:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_74:HA       1:ASP-_74:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_72:HA        1:THR_39:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_38:HA        1:SER_38:HN        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:ILE_73:HA        1:ASP-_74:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HA        1:SER_38:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_38:HB1       1:SER_38:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_38:HB2       1:SER_38:HN        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:ASP-_74:HB1      1:ASP-_74:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_74:HB2      1:ASP-_74:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:ARG+_11:HD1      1:ARG+_11:HE       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_11:HD2      1:ARG+_11:HE       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_77:HB1      1:ASP-_74:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_77:HB2      1:ASP-_74:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:LYS+_40:HB1      1:THR_39:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_11:HB1      1:ARG+_11:HE       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_11:HB2      1:ARG+_11:HE       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HB        1:SER_38:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_39:HG2*      1:THR_39:HN        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ASP-_66:HA       1:ASP-_68:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_67:HA       1:ASP-_68:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_39:HB        1:THR_39:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HA        1:ILE_62:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HA        1:PHE_78:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_62:HA        1:ILE_62:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HB1       1:PHE_78:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HB2       1:PHE_78:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_68:HB1      1:ASP-_68:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_68:HB2      1:ASP-_68:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_77:HB1      1:PHE_78:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_77:HB2      1:PHE_78:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HB        1:PHE_78:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLU-_63:HB1      1:ILE_62:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_63:HB2      1:ILE_62:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_4:HN         1:ASP-_5:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_76:HN       1:PHE_75:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HN        1:MET_46:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HZ        1:PHE_75:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_25:HN        1:PHE_26:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HE*       1:MET_46:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HE*       1:PHE_75:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_7:HN         1:GLN_6:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HD*       1:PHE_75:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HZ        1:ILE_37:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HE*       1:ILE_37:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_76:HN       1:GLU-_77:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_74:HA       1:PHE_75:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_36:HA       1:ILE_37:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_66:HA       1:ASP-_66:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_5:HA        1:ASP-_5:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_25:HA        1:PHE_26:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_4:HA         1:ASP-_5:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_31:HA        1:ASP-_32:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_63:HA       1:ASP-_66:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HA        1:MET_46:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HA        1:PHE_26:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_75:HA        1:PHE_75:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:PHE_26:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:PHE_26:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_5:HA        1:GLN_6:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_6:HN         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_77:HA       1:GLU-_77:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_76:HA       1:GLU-_77:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:SER_38:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HE*       1:PHE_78:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_66:HB1      1:ASP-_66:HN       -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:ASP-_66:HB2      1:ASP-_66:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_75:HB2       1:PHE_75:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_75:HB1       1:PHE_75:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_65:HB        1:ASP-_66:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_46:HB1       1:MET_46:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_46:HB2       1:MET_46:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_46:HG2       1:MET_46:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_46:HG1       1:MET_46:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_25:HB*       1:PHE_26:HN        -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:ALA_31:HB*       1:ASP-_32:HN       -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_65:HG2*      1:ASP-_66:HN       -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:VAL_65:HG1*      1:ASP-_66:HN       -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:LEU_49:HD2*      1:PHE_26:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_49:HD1*      1:PHE_26:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:PHE_26:HN        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:PHE_26:HN        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG12      1:ILE_37:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG11      1:ILE_37:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:MET_46:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:MET_46:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:ILE_37:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_77:HB2      1:GLU-_77:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_77:HB1      1:GLU-_77:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:MET_3:HB2        1:ASP-_5:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:MET_3:HB1        1:ASP-_5:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLU-_76:HB2      1:GLU-_77:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_76:HB1      1:GLU-_77:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_3:HG1        1:GLN_6:HN         -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:ALA_8:HN         1:GLN_7:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_18:HN        1:ILE_19:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HN       1:LYS+_40:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_64:HN       1:VAL_65:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HN        1:GLU-_77:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_80:HN        1:LEU_79:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HD*       1:LEU_79:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_89:HA       1:ASP-_89:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_88:HA       1:ASP-_89:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_7:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_81:HA        1:MET_82:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HA        1:VAL_83:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HA        1:VAL_83:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HA        1:VAL_83:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_89:HB2      1:ASP-_89:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_89:HB1      1:ASP-_89:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_81:HG1       1:MET_82:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_86:HB1       1:VAL_83:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_81:HB2       1:MET_82:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_31:HB*       1:ALA_31:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:VAL_83:HN        -1.000  4.800  2.700 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:VAL_83:HN        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG1*      1:GLN_7:HN         -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_80:HG2*      1:GLN_7:HN         -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ASP-_30:HA       1:ALA_31:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_47:HA       1:ARG+_47:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HA        1:GLU-_76:HN       -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:GLY_33:HA2       1:GLY_33:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_33:HA1       1:GLY_33:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_79:HA        1:LEU_79:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_19:HA        1:ILE_19:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HB1       1:LEU_79:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_78:HB2       1:LEU_79:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_32:HB1      1:GLY_33:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_32:HB2      1:GLY_33:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_9:HG1       1:GLU-_9:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_9:HG2       1:GLU-_9:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_4:HG2*       1:THR_4:HN         -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_79:HG        1:LEU_79:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_65:HG2*      1:VAL_65:HN        -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:VAL_65:HG1*      1:VAL_65:HN        -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:LEU_79:HD2*      1:LEU_79:HN        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HD1*      1:LEU_79:HN        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_19:HD1*      1:ILE_19:HN        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ASP-_66:HA       1:GLU-_67:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLN_7:HA         1:ALA_10:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_16:HA       1:ILE_19:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_18:HG1       1:ILE_19:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_18:HG2       1:ILE_19:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:ARG+_47:HA       1:GLN_51:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_51:HA        1:GLN_51:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:MET_48:HA        1:MET_48:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_50:HA2       1:GLN_51:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_50:HA1       1:GLN_51:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HB1       1:MET_48:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HB2       1:MET_48:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_50:HN        1:GLN_51:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_49:HN        1:MET_48:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_45:HA        1:MET_48:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_48:HG1       1:MET_48:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_48:HG2       1:MET_48:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_48:HB2       1:MET_48:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:MET_48:HB1       1:MET_48:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_47:HG1      1:GLN_51:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:LYS+_87:HN       1:MET_86:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_12:HN        1:ARG+_11:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_60:HN        1:ILE_61:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_75:HD*       1:GLU-_76:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_60:HA        1:ILE_61:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_69:HA1       1:GLY_69:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_69:HA2       1:GLY_69:HN        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:LEU_58:HA        1:ILE_61:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HA        1:ILE_61:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_83:HA        1:MET_86:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HB1       1:GLU-_76:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HB2       1:GLU-_76:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:MET_86:HG2       1:MET_86:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HG1       1:MET_86:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_76:HG1      1:GLU-_76:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_76:HG2      1:GLU-_76:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLN_85:HB1       1:MET_86:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLN_85:HB2       1:MET_86:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_61:HB        1:ILE_61:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_79:HB1       1:ARG+_11:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:THR_44:HG2*      1:MET_48:HN        -1.000  5.100  3.300 10.00 10.00 1000.000  0.00
1:ALA_60:HB*       1:ILE_61:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_10:HB*       1:ARG+_11:HN       -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HG11      1:ILE_61:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_61:HG12      1:ILE_61:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_61:HG2*      1:ILE_61:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_61:HD1*      1:ILE_61:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:ARG+_11:HN       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:ARG+_11:HN       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_25:HN        1:ALA_24:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_72:HA        1:THR_72:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HA        1:SER_15:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HB1       1:SER_15:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:SER_15:HB2       1:SER_15:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_71:HA2       1:THR_72:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_71:HA1       1:THR_72:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_35:HA2       1:ASP-_36:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_35:HA1       1:ASP-_36:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_23:HA       1:ALA_24:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_19:HA        1:ALA_20:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_64:HN       1:GLU-_63:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_49:HN        1:GLY_50:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HN        1:MET_81:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_36:HA       1:ASP-_36:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_12:HN        1:PHE_13:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_14:HN        1:PHE_13:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_44:HN        1:VAL_45:HN        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:PHE_13:HD*       1:PHE_13:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_29:HD*       1:PHE_29:HN        -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_30:HN       1:PHE_29:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_42:HN        1:GLU-_41:HN       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLN_51:HE21      1:GLN_51:HE22      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASN_52:HD21      1:ASN_52:HD22      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_74:HA       1:PHE_26:HZ        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_36:HA       1:PHE_26:HZ        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_26:HE*       1:PHE_26:HZ        -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_75:HE*       1:PHE_75:HZ        -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ARG+_84:HA       1:LYS+_87:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_34:HA2       1:ASP-_36:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_34:HA1       1:ASP-_36:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_21:HG2      1:GLU-_21:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_21:HG1      1:GLU-_21:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HB1      1:ASP-_36:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HB2      1:ASP-_36:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_21:HB1      1:GLU-_21:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_21:HB2      1:GLU-_21:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_14:HB1       1:SER_15:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_14:HB2       1:SER_15:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_19:HB        1:ALA_20:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LYS+_23:HD1      1:ALA_24:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_23:HD2      1:ALA_24:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_24:HB*       1:ALA_24:HN        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_19:HG2*      1:ALA_20:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_62:HA        1:GLU-_63:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_80:HA        1:MET_81:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_81:HG1       1:MET_81:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_81:HG2       1:MET_81:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_63:HG2      1:GLU-_63:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_63:HG1      1:GLU-_63:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_87:HG1      1:LYS+_87:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_87:HG2      1:LYS+_87:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_14:HB2       1:MET_18:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_80:HG1*      1:MET_81:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_80:HG2*      1:MET_81:HN        -1.000  6.500  3.300 10.00 10.00 1000.000  0.00
1:ILE_62:HG2*      1:GLU-_63:HN       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_49:HA        1:GLY_50:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_81:HA        1:MET_81:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_50:HA2       1:GLY_50:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_50:HA1       1:GLY_50:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_13:HA        1:PHE_13:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_12:HA        1:PHE_13:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALAC_90:HA       1:ALAC_90:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_84:HA       1:ARG+_84:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HA        1:ARG+_84:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_13:HB1       1:PHE_13:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_13:HB2       1:PHE_13:HN        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:VAL_83:HB        1:ARG+_84:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_84:HB1      1:ARG+_84:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG+_84:HB2      1:ARG+_84:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_14:HG        1:PHE_13:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:ARG+_84:HN       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:ARG+_84:HN       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_29:HA        1:PHE_29:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_12:HA        1:ALA_12:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_9:HA        1:ALA_12:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_85:HA        1:GLN_85:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:MET_28:HA        1:PHE_29:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_11:HA       1:ALA_12:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_44:HA        1:VAL_45:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HA        1:VAL_45:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_29:HB1       1:PHE_29:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_29:HB2       1:PHE_29:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLN_85:HG1       1:GLN_85:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLN_85:HG2       1:GLN_85:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLN_85:HB2       1:GLN_85:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLN_85:HB1       1:GLN_85:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG+_84:HB1      1:GLN_85:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_84:HB2      1:GLN_85:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_28:HB2       1:PHE_29:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:MET_28:HB1       1:PHE_29:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ALA_12:HB*       1:ALA_12:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:THR_44:HG2*      1:VAL_45:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:VAL_45:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:VAL_45:HN        -1.000  6.500  2.700 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:PHE_29:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_40:HA       1:GLU-_41:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_38:HB2       1:GLU-_41:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:SER_38:HB1       1:GLU-_41:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLU-_41:HG1      1:GLU-_41:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HG2      1:GLU-_41:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HG2       1:GLN_51:HE22      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HG1       1:GLN_51:HE22      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HB2      1:GLU-_41:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_41:HB1      1:GLU-_41:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_14:HA        1:LEU_14:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_27:HA       1:MET_28:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_60:HA        1:ALA_60:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_64:HA       1:GLU-_64:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_57:HA       1:ALA_60:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:MET_28:HA        1:MET_28:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:MET_48:HA        1:LEU_49:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_11:HA       1:LEU_14:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:THR_44:HA        1:THR_44:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:ALA_25:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_43:HA2       1:THR_44:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_43:HA1       1:THR_44:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_13:HB1       1:LEU_14:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_13:HB2       1:LEU_14:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_78:HB1       1:PHE_26:HZ        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_78:HB2       1:PHE_26:HZ        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HB2       1:PHE_75:HZ        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HB1       1:PHE_75:HZ        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_52:HB1       1:ASN_52:HD22      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_52:HB2       1:ASN_52:HD22      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HB2      1:ALA_60:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HB1      1:ALA_60:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_64:HG1      1:GLU-_64:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_64:HG2      1:GLU-_64:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_64:HB2      1:GLU-_64:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_64:HB1      1:GLU-_64:HN       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LYS+_23:HD2      1:PHE_75:HZ        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_23:HD1      1:PHE_75:HZ        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_14:HB2       1:LEU_14:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_14:HB1       1:LEU_14:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_28:HB2       1:MET_28:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_28:HB1       1:MET_28:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_60:HB*       1:ALA_60:HN        -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:THR_44:HG2*      1:THR_44:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_19:HG2*      1:PHE_75:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_65:HG1*      1:GLU-_64:HN       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_65:HG2*      1:GLU-_64:HN       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_79:HD2*      1:PHE_75:HZ        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HD1*      1:PHE_75:HZ        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_14:HD2*      1:LEU_14:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_14:HD1*      1:LEU_14:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG12      1:PHE_26:HZ        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG11      1:PHE_26:HZ        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:THR_44:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:THR_44:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_24:HA        1:ALA_25:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_49:HB1       1:LEU_49:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_49:HB2       1:LEU_49:HN        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ALA_24:HB*       1:ALA_25:HN        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ASP-_36:HB2      1:PHE_26:HZ        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HB1      1:PHE_26:HZ        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_13:HD*       1:PHE_13:HE*       -1.000  6.700  2.700 10.00 10.00 1000.000  0.00
1:GLN_7:HE21       1:GLN_7:HE22       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLN_85:HE21      1:GLN_85:HE22      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_49:HA        1:LEU_49:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HA        1:LEU_49:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_48:HB1       1:LEU_49:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_48:HB2       1:LEU_49:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_85:HG2       1:GLN_85:HE22      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLN_85:HG1       1:GLN_85:HE22      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_82:HG2       1:PHE_22:HE*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:MET_86:HB2       1:PHE_13:HE*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HB1       1:PHE_13:HE*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_49:HG        1:LEU_49:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_25:HB*       1:ALA_25:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:PHE_13:HE*       -1.000 11.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:PHE_13:HE*       -1.000 11.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_29:HA        1:PHE_29:HD*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HA        1:PHE_29:HD*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_29:HB1       1:PHE_29:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_29:HB2       1:PHE_29:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:MET_28:HB2       1:PHE_29:HD*       -1.000  5.700  2.700 10.00 10.00 1000.000  0.00
1:MET_28:HB1       1:PHE_29:HD*       -1.000  5.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_41:HB2      1:PHE_29:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_41:HB1      1:PHE_29:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:PHE_29:HD*       -1.000  6.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:PHE_29:HD*       -1.000  6.800  2.700 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:PHE_29:HD*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:PHE_29:HD*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HE21       1:GLN_6:HE22       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_30:HA       1:ASP-_30:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_13:HA        1:PHE_13:HD*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:GLU-_77:HA       1:VAL_80:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_79:HA        1:VAL_80:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_80:HA        1:VAL_80:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_13:HB1       1:PHE_13:HD*       -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:PHE_13:HB2       1:PHE_13:HD*       -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:ASP-_30:HB1      1:ASP-_30:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_30:HB2      1:ASP-_30:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_27:HB2      1:ASP-_30:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_27:HB1      1:ASP-_30:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HG1        1:GLN_6:HE22       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HG2        1:GLN_6:HE22       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HB1       1:PHE_13:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HB2       1:PHE_13:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:MET_3:HG1        1:GLN_6:HE22       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_3:HG2        1:GLN_6:HE22       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_10:HB*       1:VAL_80:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:PHE_13:HD*       -1.000  6.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:PHE_13:HD*       -1.000  6.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG1*      1:ARG+_84:HE       -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:VAL_80:HG2*      1:ARG+_84:HE       -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:ASP-_30:HN       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:PHE_22:HD*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_42:HA        1:LEU_42:HN        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_22:HB1       1:PHE_22:HD*       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HB2       1:PHE_22:HD*       -1.000  5.300  2.700 10.00 10.00 1000.000  0.00
1:MET_18:HG1       1:PHE_22:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:MET_18:HG2       1:PHE_22:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HB1       1:LEU_42:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HB2       1:LEU_42:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HG        1:LEU_42:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_42:HD2*      1:LEU_42:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_42:HD1*      1:LEU_42:HN        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_79:HB2       1:PHE_22:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_79:HB1       1:PHE_22:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_49:HD1*      1:PHE_22:HD*       -1.000  9.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_49:HD2*      1:PHE_22:HD*       -1.000  9.800  3.300 10.00 10.00 1000.000  0.00
1:PHE_75:HD*       1:PHE_75:HE*       -1.000  6.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_22:HB1       1:PHE_75:HE*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HB2       1:PHE_75:HE*       -1.000  7.000  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HA       1:PHE_75:HE*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_75:HA        1:PHE_75:HE*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:PHE_75:HE*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:PHE_75:HE*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HG1        1:GLN_6:HE21       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLN_6:HG2        1:GLN_6:HE21       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HD2      1:PHE_75:HE*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HD1      1:PHE_75:HE*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_19:HG2*      1:PHE_75:HE*       -1.000  6.200  2.700 10.00 10.00 1000.000  0.00
1:PHE_26:HD*       1:PHE_26:HE*       -1.000  6.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_75:HD*       1:PHE_26:HE*       -1.000  7.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_36:HA       1:PHE_26:HE*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_78:HA        1:PHE_78:HD*       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HA        1:PHE_78:HD*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HA        1:PHE_26:HE*       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HA        1:PHE_78:HD*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_78:HB1       1:PHE_78:HD*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_78:HB2       1:PHE_78:HD*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:PHE_26:HE*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:PHE_26:HE*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HB1       1:PHE_78:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:MET_81:HB1       1:PHE_78:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:MET_81:HB2       1:PHE_78:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_79:HG        1:PHE_78:HD*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_42:HD1*      1:PHE_78:HD*       -1.000  9.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HD2*      1:PHE_78:HD*       -1.000  9.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:PHE_26:HE*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:PHE_26:HE*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HD*       1:PHE_26:HD*       -1.000  7.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HA        1:PHE_26:HD*       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:PHE_26:HD*       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:PHE_26:HD*       -1.000  5.300  2.700 10.00 10.00 1000.000  0.00
1:LYS+_23:HA       1:PHE_75:HD*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HA        1:PHE_75:HD*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_78:HB1       1:PHE_75:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HB2       1:PHE_75:HD*       -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:PHE_75:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:PHE_75:HD*       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HB1       1:PHE_75:HD*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_75:HB2       1:PHE_75:HD*       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_19:HG2*      1:PHE_75:HD*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_19:HD1*      1:PHE_75:HD*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:PHE_26:HD*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:PHE_26:HD*       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HA       1:ASP-_74:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_74:HB1      1:ASP-_74:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_74:HB2      1:ASP-_74:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_36:HB1      1:ASP-_74:HA       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HB2      1:ASP-_74:HA       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HB1      1:ASP-_36:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_36:HB2      1:ASP-_36:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_72:HB        1:THR_72:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_35:HA2       1:GLY_35:HA1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_13:HB1       1:PHE_13:HA        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_13:HB2       1:PHE_13:HA        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_30:HB1      1:ASP-_27:HA       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_30:HB2      1:ASP-_27:HA       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HB1      1:ASP-_59:HA       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_59:HB2      1:ASP-_59:HA       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:ALA_10:HA        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:ALA_10:HA        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_25:HB*       1:ALA_25:HA        -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:SER_70:HB2       1:SER_70:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:SER_70:HB1       1:SER_70:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:THR_39:HA        1:THR_39:HB        -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_34:HA2       1:GLY_34:HA1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:SER_70:HB2       1:SER_70:HB1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:SER_38:HB2       1:SER_38:HB1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_27:HB1      1:ALA_24:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_27:HB2      1:ALA_24:HA        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:ALA_12:HB*       1:ALA_12:HA        -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:PHE_78:HB1       1:PHE_78:HA        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HB2       1:PHE_78:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_36:HB1      1:THR_72:HB        -1.000  5.000  2.700 10.00 10.00 1000.000  0.00
1:ALA_60:HB*       1:GLU-_57:HA       -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:LYS+_55:HG2      1:LYS+_55:HA       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_55:HG1      1:LYS+_55:HA       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_58:HD1*      1:LEU_58:HA        -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:LEU_58:HD2*      1:LEU_58:HA        -1.000  7.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_61:HD1*      1:LEU_58:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HB2       1:PHE_22:HB1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_43:HA2       1:GLY_43:HA1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ASP-_36:HB2      1:GLY_35:HA2       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ASP-_36:HB2      1:GLY_35:HA1       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:MET_46:HB1       1:MET_46:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HB2       1:MET_46:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:LYS+_23:HA       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:LYS+_23:HA       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_76:HG1      1:GLU-_76:HA       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_76:HG2      1:GLU-_76:HA       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_64:HB2      1:ILE_61:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU-_64:HB1      1:ILE_61:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HB2       1:LEU_42:HA        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_42:HB1       1:LEU_42:HA        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:THR_44:HG2*      1:THR_44:HA        -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:LEU_42:HA        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:LEU_42:HA        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_26:HB1       1:PHE_26:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:PHE_26:HA        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:PRO_53:HD2       1:PRO_53:HD1       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:PHE_26:HA        -1.000  6.500  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:PHE_26:HA        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:PHE_26:HA        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ASP-_74:HB1      1:PHE_75:HA        -1.000  5.000  2.700 10.00 10.00 1000.000  0.00
1:PHE_78:HB2       1:PHE_75:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_78:HB1       1:PHE_75:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_75:HB1       1:PHE_75:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_75:HB2       1:PHE_75:HA        -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:MET_46:HB1       1:GLY_43:HA2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HB1       1:GLY_43:HA1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HB2       1:GLY_43:HA2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_46:HB2       1:GLY_43:HA1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_58:HD2*      1:GLY_43:HA2       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_58:HD2*      1:GLY_43:HA1       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_58:HD1*      1:GLY_43:HA2       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_58:HD1*      1:GLY_43:HA1       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:ARG+_47:HD2      1:ARG+_47:HD1      -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_26:HB2       1:PHE_26:HB1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_29:HB2       1:PHE_29:HB1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PRO_53:HB2       1:PRO_53:HD2       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PRO_53:HB1       1:PRO_53:HD2       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_10:HB*       1:VAL_80:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:VAL_80:HA        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:VAL_80:HA        -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_80:HG1*      1:VAL_80:HA        -1.000  4.800  2.700 10.00 10.00 1000.000  0.00
1:VAL_80:HG2*      1:VAL_80:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:PHE_29:HB1       -1.000  6.500  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:PHE_29:HB2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:PHE_29:HB1       -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:PHE_29:HB2       -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ARG+_47:HG1      1:ARG+_47:HD2      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG+_47:HG1      1:ARG+_47:HD1      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG+_47:HG2      1:ARG+_47:HD2      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG+_47:HG2      1:ARG+_47:HD1      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:PHE_13:HB2       -1.000 10.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:PHE_13:HB1       -1.000 10.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:PHE_13:HB2       -1.000 10.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:PHE_13:HB1       -1.000 10.500  5.000 10.00 10.00 1000.000  0.00
1:ARG+_11:HB1      1:ARG+_11:HD2      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_11:HB1      1:ARG+_11:HD1      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_11:HB2      1:ARG+_11:HD2      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_11:HB2      1:ARG+_11:HD1      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_40:HB2      1:LYS+_40:HE2      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_40:HB2      1:LYS+_40:HE1      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_40:HB1      1:LYS+_40:HE2      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_40:HB1      1:LYS+_40:HE1      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:MET_86:HB1       1:VAL_83:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_86:HB2       1:VAL_83:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_82:HB2       1:VAL_83:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:MET_82:HB1       1:VAL_83:HA        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:PRO_53:HG1       1:PRO_53:HD1       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:PRO_53:HG2       1:PRO_53:HD1       -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LEU_49:HG        1:VAL_45:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_47:HG2      1:PRO_53:HD1       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_47:HG1      1:PRO_53:HD1       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:VAL_83:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:VAL_83:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG1*      1:VAL_45:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_45:HG2*      1:VAL_45:HA        -1.000  4.800  2.700 10.00 10.00 1000.000  0.00
1:ILE_19:HG2*      1:ILE_19:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HG        1:LEU_79:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_39:HG2*      1:ASP-_66:HB1      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:THR_39:HG2*      1:ASP-_66:HB2      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:ASP-_32:HB2      1:ASP-_32:HB1      -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ASN_52:HB2       1:ASN_52:HB1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_75:HB2       1:PHE_75:HB1       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:MET_86:HB2       1:MET_86:HG2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HB2       1:MET_86:HG1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HB1       1:MET_86:HG2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_86:HB1       1:MET_86:HG1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_62:HB        1:ASP-_59:HB2      -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG1*      1:MET_81:HG1       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG1*      1:MET_81:HG2       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG2*      1:MET_81:HG1       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG2*      1:MET_81:HG2       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:LEU_42:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_19:HG2*      1:GLU-_16:HA       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_79:HD1*      1:ARG+_11:HA       -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HD2*      1:ARG+_11:HA       -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HG11      1:ILE_61:HA        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_61:HG12      1:ILE_61:HA        -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_73:HG2*      1:THR_39:HA        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_49:HD1*      1:MET_46:HA        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_49:HD2*      1:MET_46:HA        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HG2*      1:ILE_61:HA        -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_62:HB        1:ILE_62:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HB1       1:LEU_79:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HB2       1:LEU_79:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_19:HB        1:ILE_19:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:MET_18:HB2       1:MET_18:HG1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_18:HB2       1:MET_18:HG2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_18:HB1       1:MET_18:HG1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_18:HB1       1:MET_18:HG2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HB2      1:GLU-_41:HG1      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HB2      1:GLU-_41:HG2      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HB1      1:GLU-_41:HG1      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HB1      1:GLU-_41:HG2      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_65:HG1*      1:GLU-_77:HB1      -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_65:HG1*      1:GLU-_77:HB2      -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_65:HG2*      1:GLU-_77:HB1      -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_65:HG2*      1:GLU-_77:HB2      -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:VAL_83:HB        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:VAL_83:HB        -1.000  4.800  2.700 10.00 10.00 1000.000  0.00
1:ILE_61:HG11      1:ILE_61:HB        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_61:HG12      1:ILE_61:HB        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_61:HD1*      1:ILE_61:HB        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:GLU-_41:HB2      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:GLU-_41:HB1      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HG12      1:ILE_37:HB        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG11      1:ILE_37:HB        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:ILE_37:HB        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:ILE_37:HB        -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:ALA_10:HB*       -1.000  9.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG1*      1:ALA_10:HB*       -1.000  9.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG1*      1:ALA_10:HB*       -1.000  9.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_80:HG2*      1:ALA_10:HB*       -1.000  9.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_83:HG2*      1:VAL_83:HG1*      -1.000 11.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:LEU_42:HD1*      -1.000  9.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:LEU_42:HD2*      -1.000  9.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:ILE_73:HG2*      -1.000  5.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:VAL_45:HG1*      -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:VAL_45:HG2*      -1.000  8.000  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:ILE_37:HG12      -1.000  5.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_37:HD1*      1:ILE_37:HG11      -1.000  5.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:ILE_37:HG12      -1.000  5.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:ILE_37:HG11      -1.000  5.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_37:HG2*      1:ILE_37:HD1*      -1.000  5.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_62:HD1*      1:ILE_62:HG12      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_62:HD1*      1:ILE_62:HG11      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_42:HD1*      1:LEU_42:HG        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HD2*      1:LEU_42:HG        -1.000  7.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HD1*      1:LEU_42:HB2       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HD1*      1:LEU_42:HB1       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HD2*      1:LEU_42:HB2       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HD2*      1:LEU_42:HB1       -1.000  8.800  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HD1*      1:ILE_61:HG11      -1.000  5.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_61:HD1*      1:ILE_61:HG12      -1.000  5.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_61:HD1*      1:ILE_61:HG2*      -1.000  5.700  2.700 10.00 10.00 1000.000  0.00
1:MET_3:HA         1:GLN_6:HN         -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLU-_9:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ALA_8:HA         1:ARG+_11:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ALA_10:HA        1:PHE_13:HN        -1.000  4.700  3.300 10.00 10.00 1000.000  0.00
1:GLU-_17:HA       1:ALA_20:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:MET_18:HA        1:GLU-_21:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ILE_19:HA        1:PHE_22:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:GLU-_21:HA       1:ALA_24:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:LYS+_23:HA       1:PHE_26:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_24:HA        1:ASP-_27:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_25:HA        1:MET_28:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ASP-_27:HA       1:ASP-_30:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:GLU-_41:HA       1:THR_44:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:LEU_42:HA        1:VAL_45:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:GLY_43:HA1       1:MET_46:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_43:HA2       1:MET_46:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:THR_44:HA        1:ARG+_47:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ARG+_47:HA       1:GLY_50:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:MET_48:HA        1:GLN_51:HN        -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:LYS+_55:HA       1:LEU_58:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:GLU-_56:HA       1:ASP-_59:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ALA_60:HA        1:GLU-_63:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ILE_61:HA        1:GLU-_64:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ILE_62:HA        1:VAL_65:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:GLU-_64:HA       1:GLU-_67:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLU-_76:HA       1:LEU_79:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:PHE_78:HA        1:MET_81:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:LEU_79:HA        1:MET_82:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:MET_81:HA        1:ARG+_84:HN       -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:MET_82:HA        1:GLN_85:HN        -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:GLN_85:HA        1:GLU-_88:HN       -1.000  3.600  3.300 10.00 10.00 1000.000  0.00
1:LYS+_40:HA       1:GLY_43:HN         4.500  9.999  3.300 10.00 10.00 1000.000  0.00
!
#NMR_dihedral
1:ALAN_1:CA        1:ALAN_1:C         1:SER_2:N          1:SER_2:CA         175.000 -175.000 10.00 10.00 1000.000
1:SER_2:CA         1:SER_2:C          1:MET_3:N          1:MET_3:CA         175.000 -175.000 10.00 10.00 1000.000
1:MET_3:CA         1:MET_3:C          1:THR_4:N          1:THR_4:CA         175.000 -175.000 10.00 10.00 1000.000
1:THR_4:CA         1:THR_4:C          1:ASP-_5:N         1:ASP-_5:CA        175.000 -175.000 10.00 10.00 1000.000
1:ASP-_5:CA        1:ASP-_5:C         1:GLN_6:N          1:GLN_6:CA         175.000 -175.000 10.00 10.00 1000.000
1:GLN_6:CA         1:GLN_6:C          1:GLN_7:N          1:GLN_7:CA         175.000 -175.000 10.00 10.00 1000.000
1:GLN_7:CA         1:GLN_7:C          1:ALA_8:N          1:ALA_8:CA         175.000 -175.000 10.00 10.00 1000.000
1:ALA_8:CA         1:ALA_8:C          1:GLU-_9:N         1:GLU-_9:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLU-_9:CA        1:GLU-_9:C         1:ALA_10:N         1:ALA_10:CA        175.000 -175.000 10.00 10.00 1000.000
1:ALA_10:CA        1:ALA_10:C         1:ARG+_11:N        1:ARG+_11:CA       175.000 -175.000 10.00 10.00 1000.000
1:ARG+_11:CA       1:ARG+_11:C        1:ALA_12:N         1:ALA_12:CA        175.000 -175.000 10.00 10.00 1000.000
1:ALA_12:CA        1:ALA_12:C         1:PHE_13:N         1:PHE_13:CA        175.000 -175.000 10.00 10.00 1000.000
1:PHE_13:CA        1:PHE_13:C         1:LEU_14:N         1:LEU_14:CA        175.000 -175.000 10.00 10.00 1000.000
1:LEU_14:CA        1:LEU_14:C         1:SER_15:N         1:SER_15:CA        175.000 -175.000 10.00 10.00 1000.000
1:SER_15:CA        1:SER_15:C         1:GLU-_16:N        1:GLU-_16:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_16:CA       1:GLU-_16:C        1:GLU-_17:N        1:GLU-_17:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_17:CA       1:GLU-_17:C        1:MET_18:N         1:MET_18:CA        175.000 -175.000 10.00 10.00 1000.000
1:MET_18:CA        1:MET_18:C         1:ILE_19:N         1:ILE_19:CA        175.000 -175.000 10.00 10.00 1000.000
1:ILE_19:CA        1:ILE_19:C         1:ALA_20:N         1:ALA_20:CA        175.000 -175.000 10.00 10.00 1000.000
1:ALA_20:CA        1:ALA_20:C         1:GLU-_21:N        1:GLU-_21:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_21:CA       1:GLU-_21:C        1:PHE_22:N         1:PHE_22:CA        175.000 -175.000 10.00 10.00 1000.000
1:PHE_22:CA        1:PHE_22:C         1:LYS+_23:N        1:LYS+_23:CA       175.000 -175.000 10.00 10.00 1000.000
1:LYS+_23:CA       1:LYS+_23:C        1:ALA_24:N         1:ALA_24:CA        175.000 -175.000 10.00 10.00 1000.000
1:ALA_24:CA        1:ALA_24:C         1:ALA_25:N         1:ALA_25:CA        175.000 -175.000 10.00 10.00 1000.000
1:ALA_25:CA        1:ALA_25:C         1:PHE_26:N         1:PHE_26:CA        175.000 -175.000 10.00 10.00 1000.000
1:PHE_26:CA        1:PHE_26:C         1:ASP-_27:N        1:ASP-_27:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_27:CA       1:ASP-_27:C        1:MET_28:N         1:MET_28:CA        175.000 -175.000 10.00 10.00 1000.000
1:MET_28:CA        1:MET_28:C         1:PHE_29:N         1:PHE_29:CA        175.000 -175.000 10.00 10.00 1000.000
1:PHE_29:CA        1:PHE_29:C         1:ASP-_30:N        1:ASP-_30:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_30:CA       1:ASP-_30:C        1:ALA_31:N         1:ALA_31:CA        175.000 -175.000 10.00 10.00 1000.000
1:ALA_31:CA        1:ALA_31:C         1:ASP-_32:N        1:ASP-_32:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_32:CA       1:ASP-_32:C        1:GLY_33:N         1:GLY_33:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLY_33:CA        1:GLY_33:C         1:GLY_34:N         1:GLY_34:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLY_34:CA        1:GLY_34:C         1:GLY_35:N         1:GLY_35:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLY_35:CA        1:GLY_35:C         1:ASP-_36:N        1:ASP-_36:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_36:CA       1:ASP-_36:C        1:ILE_37:N         1:ILE_37:CA        175.000 -175.000 10.00 10.00 1000.000
1:ILE_37:CA        1:ILE_37:C         1:SER_38:N         1:SER_38:CA        175.000 -175.000 10.00 10.00 1000.000
1:SER_38:CA        1:SER_38:C         1:THR_39:N         1:THR_39:CA        175.000 -175.000 10.00 10.00 1000.000
1:THR_39:CA        1:THR_39:C         1:LYS+_40:N        1:LYS+_40:CA       175.000 -175.000 10.00 10.00 1000.000
1:LYS+_40:CA       1:LYS+_40:C        1:GLU-_41:N        1:GLU-_41:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_41:CA       1:GLU-_41:C        1:LEU_42:N         1:LEU_42:CA        175.000 -175.000 10.00 10.00 1000.000
1:LEU_42:CA        1:LEU_42:C         1:GLY_43:N         1:GLY_43:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLY_43:CA        1:GLY_43:C         1:THR_44:N         1:THR_44:CA        175.000 -175.000 10.00 10.00 1000.000
1:THR_44:CA        1:THR_44:C         1:VAL_45:N         1:VAL_45:CA        175.000 -175.000 10.00 10.00 1000.000
1:VAL_45:CA        1:VAL_45:C         1:MET_46:N         1:MET_46:CA        175.000 -175.000 10.00 10.00 1000.000
1:MET_46:CA        1:MET_46:C         1:ARG+_47:N        1:ARG+_47:CA       175.000 -175.000 10.00 10.00 1000.000
1:ARG+_47:CA       1:ARG+_47:C        1:MET_48:N         1:MET_48:CA        175.000 -175.000 10.00 10.00 1000.000
1:MET_48:CA        1:MET_48:C         1:LEU_49:N         1:LEU_49:CA        175.000 -175.000 10.00 10.00 1000.000
1:LEU_49:CA        1:LEU_49:C         1:GLY_50:N         1:GLY_50:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLY_50:CA        1:GLY_50:C         1:GLN_51:N         1:GLN_51:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLN_51:CA        1:GLN_51:C         1:ASN_52:N         1:ASN_52:CA        175.000 -175.000 10.00 10.00 1000.000
1:ASN_52:CA        1:ASN_52:C         1:PRO_53:N         1:PRO_53:CA        175.000 -175.000 10.00 10.00 1000.000
1:PRO_53:CA        1:PRO_53:C         1:THR_54:N         1:THR_54:CA        175.000 -175.000 10.00 10.00 1000.000
1:THR_54:CA        1:THR_54:C         1:LYS+_55:N        1:LYS+_55:CA       175.000 -175.000 10.00 10.00 1000.000
1:LYS+_55:CA       1:LYS+_55:C        1:GLU-_56:N        1:GLU-_56:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_56:CA       1:GLU-_56:C        1:GLU-_57:N        1:GLU-_57:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_57:CA       1:GLU-_57:C        1:LEU_58:N         1:LEU_58:CA        175.000 -175.000 10.00 10.00 1000.000
1:LEU_58:CA        1:LEU_58:C         1:ASP-_59:N        1:ASP-_59:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_59:CA       1:ASP-_59:C        1:ALA_60:N         1:ALA_60:CA        175.000 -175.000 10.00 10.00 1000.000
1:ALA_60:CA        1:ALA_60:C         1:ILE_61:N         1:ILE_61:CA        175.000 -175.000 10.00 10.00 1000.000
1:ILE_61:CA        1:ILE_61:C         1:ILE_62:N         1:ILE_62:CA        175.000 -175.000 10.00 10.00 1000.000
1:ILE_62:CA        1:ILE_62:C         1:GLU-_63:N        1:GLU-_63:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_63:CA       1:GLU-_63:C        1:GLU-_64:N        1:GLU-_64:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_64:CA       1:GLU-_64:C        1:VAL_65:N         1:VAL_65:CA        175.000 -175.000 10.00 10.00 1000.000
1:VAL_65:CA        1:VAL_65:C         1:ASP-_66:N        1:ASP-_66:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_66:CA       1:ASP-_66:C        1:GLU-_67:N        1:GLU-_67:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_67:CA       1:GLU-_67:C        1:ASP-_68:N        1:ASP-_68:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_68:CA       1:ASP-_68:C        1:GLY_69:N         1:GLY_69:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLY_69:CA        1:GLY_69:C         1:SER_70:N         1:SER_70:CA        175.000 -175.000 10.00 10.00 1000.000
1:SER_70:CA        1:SER_70:C         1:GLY_71:N         1:GLY_71:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLY_71:CA        1:GLY_71:C         1:THR_72:N         1:THR_72:CA        175.000 -175.000 10.00 10.00 1000.000
1:THR_72:CA        1:THR_72:C         1:ILE_73:N         1:ILE_73:CA        175.000 -175.000 10.00 10.00 1000.000
1:ILE_73:CA        1:ILE_73:C         1:ASP-_74:N        1:ASP-_74:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_74:CA       1:ASP-_74:C        1:PHE_75:N         1:PHE_75:CA        175.000 -175.000 10.00 10.00 1000.000
1:PHE_75:CA        1:PHE_75:C         1:GLU-_76:N        1:GLU-_76:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_76:CA       1:GLU-_76:C        1:GLU-_77:N        1:GLU-_77:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_77:CA       1:GLU-_77:C        1:PHE_78:N         1:PHE_78:CA        175.000 -175.000 10.00 10.00 1000.000
1:PHE_78:CA        1:PHE_78:C         1:LEU_79:N         1:LEU_79:CA        175.000 -175.000 10.00 10.00 1000.000
1:LEU_79:CA        1:LEU_79:C         1:VAL_80:N         1:VAL_80:CA        175.000 -175.000 10.00 10.00 1000.000
1:VAL_80:CA        1:VAL_80:C         1:MET_81:N         1:MET_81:CA        175.000 -175.000 10.00 10.00 1000.000
1:MET_81:CA        1:MET_81:C         1:MET_82:N         1:MET_82:CA        175.000 -175.000 10.00 10.00 1000.000
1:MET_82:CA        1:MET_82:C         1:VAL_83:N         1:VAL_83:CA        175.000 -175.000 10.00 10.00 1000.000
1:VAL_83:CA        1:VAL_83:C         1:ARG+_84:N        1:ARG+_84:CA       175.000 -175.000 10.00 10.00 1000.000
1:ARG+_84:CA       1:ARG+_84:C        1:GLN_85:N         1:GLN_85:CA        175.000 -175.000 10.00 10.00 1000.000
1:GLN_85:CA        1:GLN_85:C         1:MET_86:N         1:MET_86:CA        175.000 -175.000 10.00 10.00 1000.000
1:MET_86:CA        1:MET_86:C         1:LYS+_87:N        1:LYS+_87:CA       175.000 -175.000 10.00 10.00 1000.000
1:LYS+_87:CA       1:LYS+_87:C        1:GLU-_88:N        1:GLU-_88:CA       175.000 -175.000 10.00 10.00 1000.000
1:GLU-_88:CA       1:GLU-_88:C        1:ASP-_89:N        1:ASP-_89:CA       175.000 -175.000 10.00 10.00 1000.000
1:ASP-_89:CA       1:ASP-_89:C        1:ALAC_90:N        1:ALAC_90:CA       175.000 -175.000 10.00 10.00 1000.000
1:MET_3:C          1:THR_4:N          1:THR_4:CA         1:THR_4:C          -90.000 -10.000 30.00 30.00 1000.000
1:ASP-_5:C         1:GLN_6:N          1:GLN_6:CA         1:GLN_6:C          -90.000 -10.000 30.00 30.00 1000.000
1:GLN_6:C          1:GLN_7:N          1:GLN_7:CA         1:GLN_7:C          -90.000 -10.000 30.00 30.00 1000.000
1:GLN_7:C          1:ALA_8:N          1:ALA_8:CA         1:ALA_8:C          -90.000 -10.000 30.00 30.00 1000.000
1:ALA_8:C          1:GLU-_9:N         1:GLU-_9:CA        1:GLU-_9:C         -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_9:C         1:ALA_10:N         1:ALA_10:CA        1:ALA_10:C         -90.000 -10.000 30.00 30.00 1000.000
1:ALA_10:C         1:ARG+_11:N        1:ARG+_11:CA       1:ARG+_11:C        -90.000 -10.000 30.00 30.00 1000.000
1:ARG+_11:C        1:ALA_12:N         1:ALA_12:CA        1:ALA_12:C         -90.000 -10.000 30.00 30.00 1000.000
1:SER_15:C         1:GLU-_16:N        1:GLU-_16:CA       1:GLU-_16:C        -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_16:C        1:GLU-_17:N        1:GLU-_17:CA       1:GLU-_17:C        -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_17:C        1:MET_18:N         1:MET_18:CA        1:MET_18:C         -90.000 -10.000 30.00 30.00 1000.000
1:MET_18:C         1:ILE_19:N         1:ILE_19:CA        1:ILE_19:C         -90.000 -10.000 30.00 30.00 1000.000
1:ILE_19:C         1:ALA_20:N         1:ALA_20:CA        1:ALA_20:C         -90.000 -10.000 30.00 30.00 1000.000
1:ALA_20:C         1:GLU-_21:N        1:GLU-_21:CA       1:GLU-_21:C        -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_21:C        1:PHE_22:N         1:PHE_22:CA        1:PHE_22:C         -90.000 -10.000 30.00 30.00 1000.000
1:PHE_22:C         1:LYS+_23:N        1:LYS+_23:CA       1:LYS+_23:C        -90.000 -10.000 30.00 30.00 1000.000
1:LYS+_23:C        1:ALA_24:N         1:ALA_24:CA        1:ALA_24:C         -90.000 -10.000 30.00 30.00 1000.000
1:ALA_25:C         1:PHE_26:N         1:PHE_26:CA        1:PHE_26:C         -90.000 -10.000 30.00 30.00 1000.000
1:PHE_26:C         1:ASP-_27:N        1:ASP-_27:CA       1:ASP-_27:C        -90.000 -10.000 30.00 30.00 1000.000
1:ASP-_27:C        1:MET_28:N         1:MET_28:CA        1:MET_28:C         -90.000 -10.000 30.00 30.00 1000.000
1:MET_28:C         1:PHE_29:N         1:PHE_29:CA        1:PHE_29:C         -160.000 -80.000 30.00 30.00 1000.000
1:PHE_29:C         1:ASP-_30:N        1:ASP-_30:CA       1:ASP-_30:C        -170.000 -70.000 30.00 30.00 1000.000
1:ASP-_30:C        1:ALA_31:N         1:ALA_31:CA        1:ALA_31:C         -90.000 -10.000 30.00 30.00 1000.000
1:ALA_31:C         1:ASP-_32:N        1:ASP-_32:CA       1:ASP-_32:C        -170.000 -70.000 30.00 30.00 1000.000
1:GLY_35:C         1:ASP-_36:N        1:ASP-_36:CA       1:ASP-_36:C        -170.000 -70.000 30.00 30.00 1000.000
1:ASP-_36:C        1:ILE_37:N         1:ILE_37:CA        1:ILE_37:C         -160.000 -80.000 30.00 30.00 1000.000
1:ILE_37:C         1:SER_38:N         1:SER_38:CA        1:SER_38:C         -90.000 -10.000 30.00 30.00 1000.000
1:SER_38:C         1:THR_39:N         1:THR_39:CA        1:THR_39:C         -90.000 -10.000 30.00 30.00 1000.000
1:THR_39:C         1:LYS+_40:N        1:LYS+_40:CA       1:LYS+_40:C        -90.000 -10.000 30.00 30.00 1000.000
1:LYS+_40:C        1:GLU-_41:N        1:GLU-_41:CA       1:GLU-_41:C        -160.000 -80.000 30.00 30.00 1000.000
1:GLU-_41:C        1:LEU_42:N         1:LEU_42:CA        1:LEU_42:C         -90.000 -10.000 30.00 30.00 1000.000
1:GLY_43:C         1:THR_44:N         1:THR_44:CA        1:THR_44:C         -90.000 -10.000 30.00 30.00 1000.000
1:THR_44:C         1:VAL_45:N         1:VAL_45:CA        1:VAL_45:C         -90.000 -10.000 30.00 30.00 1000.000
1:VAL_45:C         1:MET_46:N         1:MET_46:CA        1:MET_46:C         -90.000 -10.000 30.00 30.00 1000.000
1:ARG+_47:C        1:MET_48:N         1:MET_48:CA        1:MET_48:C         -90.000 -10.000 30.00 30.00 1000.000
1:MET_48:C         1:LEU_49:N         1:LEU_49:CA        1:LEU_49:C         -170.000 -70.000 30.00 30.00 1000.000
1:GLY_50:C         1:GLN_51:N         1:GLN_51:CA        1:GLN_51:C         -160.000 -80.000 30.00 30.00 1000.000
1:GLN_51:C         1:ASN_52:N         1:ASN_52:CA        1:ASN_52:C         -160.000 -80.000 30.00 30.00 1000.000
1:THR_54:C         1:LYS+_55:N        1:LYS+_55:CA       1:LYS+_55:C        -90.000 -10.000 30.00 30.00 1000.000
1:LYS+_55:C        1:GLU-_56:N        1:GLU-_56:CA       1:GLU-_56:C        -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_56:C        1:GLU-_57:N        1:GLU-_57:CA       1:GLU-_57:C        -90.000 -10.000 30.00 30.00 1000.000
1:LEU_58:C         1:ASP-_59:N        1:ASP-_59:CA       1:ASP-_59:C        -90.000 -10.000 30.00 30.00 1000.000
1:ASP-_59:C        1:ALA_60:N         1:ALA_60:CA        1:ALA_60:C         -90.000 -10.000 30.00 30.00 1000.000
1:ALA_60:C         1:ILE_61:N         1:ILE_61:CA        1:ILE_61:C         -90.000 -10.000 30.00 30.00 1000.000
1:ILE_61:C         1:ILE_62:N         1:ILE_62:CA        1:ILE_62:C         -90.000 -10.000 30.00 30.00 1000.000
1:ILE_62:C         1:GLU-_63:N        1:GLU-_63:CA       1:GLU-_63:C        -90.000 -10.000 30.00 30.00 1000.000
1:VAL_65:C         1:ASP-_66:N        1:ASP-_66:CA       1:ASP-_66:C        -170.000 -70.000 30.00 30.00 1000.000
1:ASP-_66:C        1:GLU-_67:N        1:GLU-_67:CA       1:GLU-_67:C        -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_67:C        1:ASP-_68:N        1:ASP-_68:CA       1:ASP-_68:C        -170.000 -70.000 30.00 30.00 1000.000
1:GLY_71:C         1:THR_72:N         1:THR_72:CA        1:THR_72:C         -160.000 -80.000 30.00 30.00 1000.000
1:ILE_73:C         1:ASP-_74:N        1:ASP-_74:CA       1:ASP-_74:C        -160.000 -80.000 30.00 30.00 1000.000
1:ASP-_74:C        1:PHE_75:N         1:PHE_75:CA        1:PHE_75:C         -90.000 -10.000 30.00 30.00 1000.000
1:PHE_75:C         1:GLU-_76:N        1:GLU-_76:CA       1:GLU-_76:C        -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_76:C        1:GLU-_77:N        1:GLU-_77:CA       1:GLU-_77:C        -90.000 -10.000 30.00 30.00 1000.000
1:GLU-_77:C        1:PHE_78:N         1:PHE_78:CA        1:PHE_78:C         -90.000 -10.000 30.00 30.00 1000.000
1:PHE_78:C         1:LEU_79:N         1:LEU_79:CA        1:LEU_79:C         -90.000 -10.000 30.00 30.00 1000.000
1:LEU_79:C         1:VAL_80:N         1:VAL_80:CA        1:VAL_80:C         -90.000 -10.000 30.00 30.00 1000.000
1:VAL_80:C         1:MET_81:N         1:MET_81:CA        1:MET_81:C         -90.000 -10.000 30.00 30.00 1000.000
1:MET_81:C         1:MET_82:N         1:MET_82:CA        1:MET_82:C         -90.000 -10.000 30.00 30.00 1000.000
1:MET_82:C         1:VAL_83:N         1:VAL_83:CA        1:VAL_83:C         -90.000 -10.000 30.00 30.00 1000.000
1:VAL_83:C         1:ARG+_84:N        1:ARG+_84:CA       1:ARG+_84:C        -90.000 -10.000 30.00 30.00 1000.000
1:ARG+_84:C        1:GLN_85:N         1:GLN_85:CA        1:GLN_85:C         -90.000 -10.000 30.00 30.00 1000.000
1:GLN_85:C         1:MET_86:N         1:MET_86:CA        1:MET_86:C         -90.000 -10.000 30.00 30.00 1000.000
1:MET_86:C         1:LYS+_87:N        1:LYS+_87:CA       1:LYS+_87:C        -90.000 -10.000 30.00 30.00 1000.000
1:MET_3:N          1:MET_3:CA         1:MET_3:C          1:THR_4:N          -140.000 80.000 30.00 30.00 1000.000
1:THR_4:N          1:THR_4:CA         1:THR_4:C          1:ASP-_5:N         -140.000 80.000 30.00 30.00 1000.000
1:ASP-_5:N         1:ASP-_5:CA        1:ASP-_5:C         1:GLN_6:N          -140.000 80.000 30.00 30.00 1000.000
1:GLN_7:N          1:GLN_7:CA         1:GLN_7:C          1:ALA_8:N          -140.000 80.000 30.00 30.00 1000.000
1:ALA_8:N          1:ALA_8:CA         1:ALA_8:C          1:GLU-_9:N         -140.000 80.000 30.00 30.00 1000.000
1:GLU-_9:N         1:GLU-_9:CA        1:GLU-_9:C         1:ALA_10:N         -140.000 80.000 30.00 30.00 1000.000
1:ALA_10:N         1:ALA_10:CA        1:ALA_10:C         1:ARG+_11:N        -140.000 80.000 30.00 30.00 1000.000
1:ARG+_11:N        1:ARG+_11:CA       1:ARG+_11:C        1:ALA_12:N         -140.000 80.000 30.00 30.00 1000.000
1:ALA_12:N         1:ALA_12:CA        1:ALA_12:C         1:PHE_13:N         -140.000 80.000 30.00 30.00 1000.000
1:LEU_14:N         1:LEU_14:CA        1:LEU_14:C         1:SER_15:N         20.000 -140.000 30.00 30.00 1000.000
1:SER_15:N         1:SER_15:CA        1:SER_15:C         1:GLU-_16:N        20.000 -140.000 30.00 30.00 1000.000
1:GLU-_16:N        1:GLU-_16:CA       1:GLU-_16:C        1:GLU-_17:N        -140.000 80.000 30.00 30.00 1000.000
1:MET_18:N         1:MET_18:CA        1:MET_18:C         1:ILE_19:N         -140.000 80.000 30.00 30.00 1000.000
1:GLU-_21:N        1:GLU-_21:CA       1:GLU-_21:C        1:PHE_22:N         -140.000 80.000 30.00 30.00 1000.000
1:PHE_22:N         1:PHE_22:CA        1:PHE_22:C         1:LYS+_23:N        -140.000 80.000 30.00 30.00 1000.000
1:LYS+_23:N        1:LYS+_23:CA       1:LYS+_23:C        1:ALA_24:N         -140.000 80.000 30.00 30.00 1000.000
1:ALA_24:N         1:ALA_24:CA        1:ALA_24:C         1:ALA_25:N         -140.000 80.000 30.00 30.00 1000.000
1:ALA_25:N         1:ALA_25:CA        1:ALA_25:C         1:PHE_26:N         -140.000 80.000 30.00 30.00 1000.000
1:PHE_26:N         1:PHE_26:CA        1:PHE_26:C         1:ASP-_27:N        -140.000 80.000 30.00 30.00 1000.000
1:ASP-_27:N        1:ASP-_27:CA       1:ASP-_27:C        1:MET_28:N         -140.000 80.000 30.00 30.00 1000.000
1:MET_28:N         1:MET_28:CA        1:MET_28:C         1:PHE_29:N         -140.000 80.000 30.00 30.00 1000.000
!1:GLY_33:N         1:GLY_33:CA        1:GLY_33:C         1:GLY_34:N         -140.000 80.000 30.00 30.00 1000.000
!1:GLY_34:N         1:GLY_34:CA        1:GLY_34:C         1:GLY_35:N         -140.000 80.000 30.00 30.00 1000.000
!1:GLY_35:N         1:GLY_35:CA        1:GLY_35:C         1:ASP-_36:N        -140.000 80.000 30.00 30.00 1000.000
1:ASP-_36:N        1:ASP-_36:CA       1:ASP-_36:C        1:ILE_37:N         20.000 -140.000 30.00 30.00 1000.000
1:SER_38:N         1:SER_38:CA        1:SER_38:C         1:THR_39:N         20.000 -140.000 30.00 30.00 1000.000
1:THR_39:N         1:THR_39:CA        1:THR_39:C         1:LYS+_40:N        -140.000 80.000 30.00 30.00 1000.000
1:THR_44:N         1:THR_44:CA        1:THR_44:C         1:VAL_45:N         -140.000 80.000 30.00 30.00 1000.000
1:VAL_45:N         1:VAL_45:CA        1:VAL_45:C         1:MET_46:N         -140.000 80.000 30.00 30.00 1000.000
1:MET_46:N         1:MET_46:CA        1:MET_46:C         1:ARG+_47:N        -140.000 80.000 30.00 30.00 1000.000
1:ARG+_47:N        1:ARG+_47:CA       1:ARG+_47:C        1:MET_48:N         -140.000 80.000 30.00 30.00 1000.000
1:LEU_49:N         1:LEU_49:CA        1:LEU_49:C         1:GLY_50:N         -140.000 80.000 30.00 30.00 1000.000
!1:GLY_50:N         1:GLY_50:CA        1:GLY_50:C         1:GLN_51:N         -140.000 80.000 30.00 30.00 1000.000
1:GLN_51:N         1:GLN_51:CA        1:GLN_51:C         1:ASN_52:N         20.000 -140.000 30.00 30.00 1000.000
1:LYS+_55:N        1:LYS+_55:CA       1:LYS+_55:C        1:GLU-_56:N        -140.000 80.000 30.00 30.00 1000.000
1:ASP-_59:N        1:ASP-_59:CA       1:ASP-_59:C        1:ALA_60:N         -140.000 80.000 30.00 30.00 1000.000
1:ALA_60:N         1:ALA_60:CA        1:ALA_60:C         1:ILE_61:N         -140.000 80.000 30.00 30.00 1000.000
1:ILE_61:N         1:ILE_61:CA        1:ILE_61:C         1:ILE_62:N         -140.000 80.000 30.00 30.00 1000.000
1:ILE_62:N         1:ILE_62:CA        1:ILE_62:C         1:GLU-_63:N        -140.000 80.000 30.00 30.00 1000.000
1:GLU-_63:N        1:GLU-_63:CA       1:GLU-_63:C        1:GLU-_64:N        -140.000 80.000 30.00 30.00 1000.000
1:GLU-_64:N        1:GLU-_64:CA       1:GLU-_64:C        1:VAL_65:N         -140.000 80.000 30.00 30.00 1000.000
1:VAL_65:N         1:VAL_65:CA        1:VAL_65:C         1:ASP-_66:N        -140.000 80.000 30.00 30.00 1000.000
1:ASP-_74:N        1:ASP-_74:CA       1:ASP-_74:C        1:PHE_75:N         20.000 -140.000 30.00 30.00 1000.000
1:PHE_75:N         1:PHE_75:CA        1:PHE_75:C         1:GLU-_76:N        -140.000 80.000 30.00 30.00 1000.000
1:GLU-_76:N        1:GLU-_76:CA       1:GLU-_76:C        1:GLU-_77:N        -140.000 80.000 30.00 30.00 1000.000
1:PHE_78:N         1:PHE_78:CA        1:PHE_78:C         1:LEU_79:N         -140.000 80.000 30.00 30.00 1000.000
1:LEU_79:N         1:LEU_79:CA        1:LEU_79:C         1:VAL_80:N         -140.000 80.000 30.00 30.00 1000.000
1:VAL_80:N         1:VAL_80:CA        1:VAL_80:C         1:MET_81:N         -140.000 80.000 30.00 30.00 1000.000
1:MET_81:N         1:MET_81:CA        1:MET_81:C         1:MET_82:N         -140.000 80.000 30.00 30.00 1000.000
1:MET_82:N         1:MET_82:CA        1:MET_82:C         1:VAL_83:N         -140.000 80.000 30.00 30.00 1000.000
1:VAL_83:N         1:VAL_83:CA        1:VAL_83:C         1:ARG+_84:N        -140.000 80.000 30.00 30.00 1000.000
1:ARG+_84:N        1:ARG+_84:CA       1:ARG+_84:C        1:GLN_85:N         -140.000 80.000 30.00 30.00 1000.000
1:GLN_85:N         1:GLN_85:CA        1:GLN_85:C         1:MET_86:N         -140.000 80.000 30.00 30.00 1000.000
1:MET_86:N         1:MET_86:CA        1:MET_86:C         1:LYS+_87:N        -140.000 80.000 30.00 30.00 1000.000

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  660 H/Q atoms
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1 -17.054   4.615  11.559
    2   2H    ALA   1          2H        ALA   1 -17.891   5.840  12.352
    3   3H    ALA   1          3H        ALA   1 -17.887   4.281  12.981
    4    HA   ALA   1           HA       ALA   1 -19.242   3.419  11.365
    5   1HB   ALA   1          1HB       ALA   1 -20.269   5.120  13.094
    6   2HB   ALA   1          2HB       ALA   1 -20.447   6.223  11.717
    7   3HB   ALA   1          3HB       ALA   1 -21.281   4.648  11.708
    8    H    SER   2           H        SER   2 -19.862   3.330   9.254
    9    HA   SER   2           HA       SER   2 -19.862   3.718   6.876
   10   1HB   SER   2          1HB       SER   2 -20.934   5.937   7.745
   11   2HB   SER   2          2HB       SER   2 -19.367   6.683   7.419
   12    HG   SER   2           HG       SER   2 -20.465   5.027   5.453
   13    H    MET   3           H        MET   3 -17.948   2.518   6.702
   14    HA   MET   3           HA       MET   3 -15.428   4.153   6.054
   15   1HB   MET   3          1HB       MET   3 -13.969   2.389   6.817
   16   2HB   MET   3          2HB       MET   3 -15.052   2.824   8.125
   17   1HG   MET   3          1HG       MET   3 -15.659   0.397   6.331
   18   2HG   MET   3          2HG       MET   3 -14.562   0.281   7.716
   19   1HE   MET   3          1HE       MET   3 -15.108  -0.243   9.870
   20   2HE   MET   3          2HE       MET   3 -16.735  -0.359  10.605
   21   3HE   MET   3          3HE       MET   3 -16.261  -1.494   9.308
   22    H    THR   4           H        THR   4 -17.545   3.704   4.326
   23    HA   THR   4           HA       THR   4 -16.784   1.515   2.403
   24    HB   THR   4           HB       THR   4 -18.811   3.746   1.906
   25    HG1  THR   4           HG1      THR   4 -20.267   2.527   2.837
   26   1HG2  THR   4          1HG2      THR   4 -19.899   2.176   0.345
   27   2HG2  THR   4          2HG2      THR   4 -18.226   2.455  -0.186
   28   3HG2  THR   4          3HG2      THR   4 -18.663   0.932   0.632
   29    H    ASP   5           H        ASP   5 -15.098   4.046   3.226
   30    HA   ASP   5           HA       ASP   5 -13.881   4.485   0.535
   31   1HB   ASP   5          1HB       ASP   5 -15.216   6.889   1.904
   32   2HB   ASP   5          2HB       ASP   5 -14.024   7.024   0.632
   33    H    GLN   6           H        GLN   6 -13.220   3.406   3.158
   34    HA   GLN   6           HA       GLN   6 -11.426   4.836   4.843
   35   1HB   GLN   6          1HB       GLN   6 -10.692   2.090   3.682
   36   2HB   GLN   6          2HB       GLN   6 -10.170   2.795   5.202
   37   1HG   GLN   6          1HG       GLN   6 -13.157   2.508   4.923
   38   2HG   GLN   6          2HG       GLN   6 -12.138   2.276   6.329
   39   1HE2  GLN   6          1HE2      GLN   6 -12.172  -1.268   5.905
   40   2HE2  GLN   6          2HE2      GLN   6 -11.934   0.202   6.977
   41    H    GLN   7           H        GLN   7 -10.978   3.758   1.510
   42    HA   GLN   7           HA       GLN   7  -8.179   4.110   1.043
   43   1HB   GLN   7          1HB       GLN   7 -10.440   4.828  -0.918
   44   2HB   GLN   7          2HB       GLN   7  -8.744   4.676  -1.340
   45   1HG   GLN   7          1HG       GLN   7  -8.727   2.342  -1.197
   46   2HG   GLN   7          2HG       GLN   7  -9.973   2.270   0.032
   47   1HE2  GLN   7          1HE2      GLN   7 -12.649   1.992  -2.371
   48   2HE2  GLN   7          2HE2      GLN   7 -12.124   2.052  -0.614
   49    H    ALA   8           H        ALA   8 -10.728   6.583   0.513
   50    HA   ALA   8           HA       ALA   8  -8.939   8.806  -0.120
   51   1HB   ALA   8          1HB       ALA   8 -11.106   9.171  -0.883
   52   2HB   ALA   8          2HB       ALA   8 -11.881   8.576   0.598
   53   3HB   ALA   8          3HB       ALA   8 -11.129  10.192   0.574
   54    H    GLU   9           H        GLU   9 -10.262   7.538   2.888
   55    HA   GLU   9           HA       GLU   9  -9.919   9.745   4.704
   56   1HB   GLU   9          1HB       GLU   9 -10.898   7.239   5.023
   57   2HB   GLU   9          2HB       GLU   9  -9.337   6.983   5.776
   58   1HG   GLU   9          1HG       GLU   9 -10.837   9.447   6.709
   59   2HG   GLU   9          2HG       GLU   9  -9.827   8.339   7.623
   60    H    ALA  10           H        ALA  10  -7.605   7.397   3.455
   61    HA   ALA  10           HA       ALA  10  -5.388   7.784   5.301
   62   1HB   ALA  10          1HB       ALA  10  -3.971   6.732   3.545
   63   2HB   ALA  10          2HB       ALA  10  -5.495   5.851   3.759
   64   3HB   ALA  10          3HB       ALA  10  -5.273   6.910   2.344
   65    NH1  ARG  11           NH1      ARG  11  -5.718  13.722  -2.877
   66    NH2  ARG  11           NH2      ARG  11  -7.095  15.528  -2.900
   67    H    ARG  11           H        ARG  11  -6.079   9.266   2.124
   68    HA   ARG  11           HA       ARG  11  -3.657  10.958   1.949
   69   1HB   ARG  11          1HB       ARG  11  -5.448  10.185   0.075
   70   2HB   ARG  11          2HB       ARG  11  -4.407  11.590  -0.097
   71   1HG   ARG  11          1HG       ARG  11  -7.077  11.718  -0.534
   72   2HG   ARG  11          2HG       ARG  11  -7.120  12.050   1.199
   73   1HD   ARG  11          1HD       ARG  11  -6.133  14.147   0.988
   74   2HD   ARG  11          2HD       ARG  11  -5.025  13.633  -0.282
   75    HE   ARG  11           HE       ARG  11  -7.925  14.458  -0.753
   76   1HH1  ARG  11          1HH1      ARG  11  -6.746  15.683  -3.853
   77   2HH1  ARG  11          2HH1      ARG  11  -7.792  16.094  -2.402
   78   1HH2  ARG  11          1HH2      ARG  11  -5.262  12.988  -2.324
   79   2HH2  ARG  11          2HH2      ARG  11  -5.572  13.920  -3.874
   80    H    ALA  12           H        ALA  12  -6.927  11.370   3.205
   81    HA   ALA  12           HA       ALA  12  -6.927  14.292   3.586
   82   1HB   ALA  12          1HB       ALA  12  -8.896  13.922   5.057
   83   2HB   ALA  12          2HB       ALA  12  -9.037  12.993   3.551
   84   3HB   ALA  12          3HB       ALA  12  -8.600  12.166   5.067
   85    H    PHE  13           H        PHE  13  -5.715  11.575   5.456
   86    HA   PHE  13           HA       PHE  13  -5.426  13.006   8.040
   87   1HB   PHE  13          1HB       PHE  13  -5.798  10.587   8.034
   88   2HB   PHE  13          2HB       PHE  13  -4.375  10.286   7.072
   89    HD1  PHE  13           HD1      PHE  13  -2.202  10.007   8.160
   90    HD2  PHE  13           HD2      PHE  13  -5.527  11.499  10.450
   91    HE1  PHE  13           HE1      PHE  13  -0.899   9.762  10.233
   92    HE2  PHE  13           HE2      PHE  13  -4.208  11.246  12.511
   93    HZ   PHE  13           HZ       PHE  13  -1.901  10.367  12.410
   94    H    LEU  14           H        LEU  14  -3.251  12.000   5.411
   95    HA   LEU  14           HA       LEU  14  -0.836  13.335   6.652
   96   1HB   LEU  14          1HB       LEU  14   0.499  12.269   5.009
   97   2HB   LEU  14          2HB       LEU  14  -0.817  12.107   3.866
   98    HG   LEU  14           HG       LEU  14  -1.820  10.458   5.800
   99   1HD1  LEU  14          1HD1      LEU  14  -0.857   8.533   4.529
  100   2HD1  LEU  14          2HD1      LEU  14  -1.403   9.805   3.420
  101   3HD1  LEU  14          3HD1      LEU  14   0.336   9.607   3.754
  102   1HD2  LEU  14          1HD2      LEU  14   1.239  10.244   6.210
  103   2HD2  LEU  14          2HD2      LEU  14   0.050  10.773   7.426
  104   3HD2  LEU  14          3HD2      LEU  14   0.024   9.103   6.841
  105    H    SER  15           H        SER  15   0.483  14.733   5.180
  106    HA   SER  15           HA       SER  15  -1.195  17.022   4.197
  107   1HB   SER  15          1HB       SER  15   1.785  17.219   3.948
  108   2HB   SER  15          2HB       SER  15   0.611  18.363   4.605
  109    HG   SER  15           HG       SER  15   1.596  17.644   6.337
  110    H    GLU  16           H        GLU  16   0.343  18.136   2.253
  111    HA   GLU  16           HA       GLU  16  -0.317  16.491  -0.173
  112   1HB   GLU  16          1HB       GLU  16  -0.004  18.436  -1.486
  113   2HB   GLU  16          2HB       GLU  16  -0.856  18.938  -0.038
  114   1HG   GLU  16          1HG       GLU  16   1.414  19.773   0.904
  115   2HG   GLU  16          2HG       GLU  16   2.125  19.415  -0.661
  116    H    GLU  17           H        GLU  17   2.544  18.119   1.187
  117    HA   GLU  17           HA       GLU  17   4.468  16.972  -0.785
  118   1HB   GLU  17          1HB       GLU  17   4.767  19.216   0.394
  119   2HB   GLU  17          2HB       GLU  17   5.190  18.345   1.854
  120   1HG   GLU  17          1HG       GLU  17   6.994  17.173   0.112
  121   2HG   GLU  17          2HG       GLU  17   7.344  18.577   1.106
  122    H    MET  18           H        MET  18   3.340  16.211   2.461
  123    HA   MET  18           HA       MET  18   5.303  14.284   3.349
  124   1HB   MET  18          1HB       MET  18   3.624  15.096   4.916
  125   2HB   MET  18          2HB       MET  18   2.304  14.452   3.957
  126   1HG   MET  18          1HG       MET  18   2.697  12.199   4.640
  127   2HG   MET  18          2HG       MET  18   4.389  12.506   5.064
  128   1HE   MET  18          1HE       MET  18   4.503  13.854   8.525
  129   2HE   MET  18          2HE       MET  18   5.299  13.602   6.943
  130   3HE   MET  18          3HE       MET  18   4.418  15.124   7.264
  131    H    ILE  19           H        ILE  19   2.534  13.991   1.180
  132    HA   ILE  19           HA       ILE  19   2.486  11.045   0.938
  133    HB   ILE  19           HB       ILE  19   1.269  13.255  -0.774
  134   1HG1  ILE  19          1HG1      ILE  19  -0.063  11.058   0.949
  135   2HG1  ILE  19          2HG1      ILE  19   0.178  12.714   1.465
  136   1HG2  ILE  19          1HG2      ILE  19   0.128  11.520  -2.174
  137   2HG2  ILE  19          2HG2      ILE  19   1.877  11.396  -2.355
  138   3HG2  ILE  19          3HG2      ILE  19   1.014  10.224  -1.332
  139   1HD1  ILE  19          1HD1      ILE  19  -1.651  11.880  -0.862
  140   2HD1  ILE  19          2HD1      ILE  19  -2.130  12.480   0.739
  141   3HD1  ILE  19          3HD1      ILE  19  -1.300  13.567  -0.397
  142    H    ALA  20           H        ALA  20   3.880  13.689  -1.017
  143    HA   ALA  20           HA       ALA  20   5.036  12.201  -3.191
  144   1HB   ALA  20          1HB       ALA  20   5.668  14.871  -1.902
  145   2HB   ALA  20          2HB       ALA  20   6.818  14.214  -3.083
  146   3HB   ALA  20          3HB       ALA  20   5.126  14.509  -3.558
  147    H    GLU  21           H        GLU  21   6.150  12.699   0.114
  148    HA   GLU  21           HA       GLU  21   8.944  11.846  -0.208
  149   1HB   GLU  21          1HB       GLU  21   8.669  11.424   2.415
  150   2HB   GLU  21          2HB       GLU  21   7.146  12.264   2.201
  151   1HG   GLU  21          1HG       GLU  21   9.817  13.488   1.272
  152   2HG   GLU  21          2HG       GLU  21   8.273  14.309   1.425
  153    H    PHE  22           H        PHE  22   5.936  10.198   0.667
  154    HA   PHE  22           HA       PHE  22   7.073   7.560   1.357
  155   1HB   PHE  22          1HB       PHE  22   4.238   8.395   0.521
  156   2HB   PHE  22          2HB       PHE  22   4.648   6.739   0.886
  157    HD1  PHE  22           HD1      PHE  22   2.582   8.393   2.405
  158    HD2  PHE  22           HD2      PHE  22   6.769   7.763   3.181
  159    HE1  PHE  22           HE1      PHE  22   2.236   8.945   4.777
  160    HE2  PHE  22           HE2      PHE  22   6.391   8.264   5.561
  161    HZ   PHE  22           HZ       PHE  22   4.129   8.853   6.364
  162    H    LYS  23           H        LYS  23   5.978   9.153  -1.586
  163    HA   LYS  23           HA       LYS  23   5.840   6.952  -3.457
  164   1HB   LYS  23          1HB       LYS  23   5.177   9.433  -3.852
  165   2HB   LYS  23          2HB       LYS  23   6.861   9.752  -4.212
  166   1HG   LYS  23          1HG       LYS  23   6.181   9.372  -6.361
  167   2HG   LYS  23          2HG       LYS  23   6.507   7.697  -5.962
  168   1HD   LYS  23          1HD       LYS  23   3.687   8.821  -5.502
  169   2HD   LYS  23          2HD       LYS  23   4.194   7.152  -5.709
  170   1HE   LYS  23          1HE       LYS  23   4.588   9.095  -8.036
  171   2HE   LYS  23          2HE       LYS  23   4.443   7.337  -8.089
  172   1HZ   LYS  23          1HZ       LYS  23   2.337   7.864  -8.676
  173   2HZ   LYS  23          2HZ       LYS  23   2.059   8.014  -7.055
  174   3HZ   LYS  23          3HZ       LYS  23   2.352   9.357  -7.970
  175    H    ALA  24           H        ALA  24   8.573   8.836  -2.241
  176    HA   ALA  24           HA       ALA  24  10.676   8.178  -4.081
  177   1HB   ALA  24          1HB       ALA  24  12.266   8.673  -2.234
  178   2HB   ALA  24          2HB       ALA  24  10.955   9.866  -2.288
  179   3HB   ALA  24          3HB       ALA  24  10.950   8.597  -1.038
  180    H    ALA  25           H        ALA  25   9.728   6.465  -1.087
  181    HA   ALA  25           HA       ALA  25  11.723   4.293  -1.315
  182   1HB   ALA  25          1HB       ALA  25  10.509   3.260   0.596
  183   2HB   ALA  25          2HB       ALA  25  10.819   4.982   0.887
  184   3HB   ALA  25          3HB       ALA  25   9.184   4.437   0.433
  185    H    PHE  26           H        PHE  26   8.380   4.750  -2.314
  186    HA   PHE  26           HA       PHE  26   7.595   1.998  -2.880
  187   1HB   PHE  26          1HB       PHE  26   6.572   4.479  -4.378
  188   2HB   PHE  26          2HB       PHE  26   6.077   4.092  -2.751
  189    HD1  PHE  26           HD1      PHE  26   3.982   2.986  -2.602
  190    HD2  PHE  26           HD2      PHE  26   6.435   2.201  -6.048
  191    HE1  PHE  26           HE1      PHE  26   2.221   1.544  -3.541
  192    HE2  PHE  26           HE2      PHE  26   4.662   0.765  -6.972
  193    HZ   PHE  26           HZ       PHE  26   2.552   0.441  -5.728
  194    H    ASP  27           H        ASP  27   9.381   4.435  -4.690
  195    HA   ASP  27           HA       ASP  27   9.405   3.066  -7.305
  196   1HB   ASP  27          1HB       ASP  27  10.380   5.608  -6.282
  197   2HB   ASP  27          2HB       ASP  27   9.999   5.130  -7.921
  198    H    MET  28           H        MET  28  11.387   2.943  -4.425
  199    HA   MET  28           HA       MET  28  13.883   1.882  -5.265
  200   1HB   MET  28          1HB       MET  28  12.897   2.279  -2.798
  201   2HB   MET  28          2HB       MET  28  12.582   0.555  -2.860
  202   1HG   MET  28          1HG       MET  28  14.711   0.454  -1.948
  203   2HG   MET  28          2HG       MET  28  15.196   0.463  -3.651
  204   1HE   MET  28          1HE       MET  28  17.242   1.819  -1.035
  205   2HE   MET  28          2HE       MET  28  17.431   1.045  -2.637
  206   3HE   MET  28          3HE       MET  28  17.992   2.724  -2.388
  207    H    PHE  29           H        PHE  29  10.760   0.254  -5.036
  208    HA   PHE  29           HA       PHE  29  11.940  -2.415  -5.962
  209   1HB   PHE  29          1HB       PHE  29   9.734  -3.424  -5.362
  210   2HB   PHE  29          2HB       PHE  29   9.082  -1.857  -4.970
  211    HD1  PHE  29           HD1      PHE  29   8.745  -3.732  -2.888
  212    HD2  PHE  29           HD2      PHE  29  12.303  -1.460  -3.735
  213    HE1  PHE  29           HE1      PHE  29   9.487  -4.000  -0.556
  214    HE2  PHE  29           HE2      PHE  29  13.015  -1.725  -1.394
  215    HZ   PHE  29           HZ       PHE  29  11.618  -2.999   0.193
  216    H    ASP  30           H        ASP  30   9.654   0.147  -6.779
  217    HA   ASP  30           HA       ASP  30   9.231  -1.042  -9.563
  218   1HB   ASP  30          1HB       ASP  30   7.622   1.363  -8.670
  219   2HB   ASP  30          2HB       ASP  30   7.272  -0.165  -7.896
  220    H    ALA  31           H        ALA  31  11.243  -0.468 -10.358
  221    HA   ALA  31           HA       ALA  31  12.596   2.066 -10.417
  222   1HB   ALA  31          1HB       ALA  31  13.646   1.286 -12.546
  223   2HB   ALA  31          2HB       ALA  31  13.602  -0.001 -11.325
  224   3HB   ALA  31          3HB       ALA  31  12.452  -0.026 -12.688
  225    H    ASP  32           H        ASP  32  11.057   0.997 -13.398
  226    HA   ASP  32           HA       ASP  32   9.932   3.780 -13.896
  227   1HB   ASP  32          1HB       ASP  32   9.579   2.900 -16.298
  228   2HB   ASP  32          2HB       ASP  32  10.469   1.468 -15.834
  229    H    GLY  33           H        GLY  33   8.063   3.864 -12.801
  230   1HA   GLY  33          1HA       GLY  33   5.578   2.927 -13.890
  231   2HA   GLY  33          2HA       GLY  33   6.012   1.699 -12.697
  232    H    GLY  34           H        GLY  34   6.644   2.545 -10.501
  233   1HA   GLY  34          1HA       GLY  34   5.906   3.599  -8.444
  234   2HA   GLY  34          2HA       GLY  34   5.903   5.100  -9.378
  235    H    GLY  35           H        GLY  35   3.968   2.104  -9.162
  236   1HA   GLY  35          1HA       GLY  35   1.484   2.776 -10.301
  237   2HA   GLY  35          2HA       GLY  35   1.399   3.645  -8.767
  238    H    ASP  36           H        ASP  36   2.948   0.517  -9.390
  239    HA   ASP  36           HA       ASP  36   1.354  -0.839  -7.208
  240   1HB   ASP  36          1HB       ASP  36   0.673  -1.161 -10.090
  241   2HB   ASP  36          2HB       ASP  36  -0.298  -1.405  -8.658
  242    H    ILE  37           H        ILE  37   2.331  -2.646  -6.437
  243    HA   ILE  37           HA       ILE  37   4.908  -3.686  -7.689
  244    HB   ILE  37           HB       ILE  37   6.033  -3.669  -5.398
  245   1HG1  ILE  37          1HG1      ILE  37   4.013  -1.413  -4.766
  246   2HG1  ILE  37          2HG1      ILE  37   4.008  -2.992  -4.009
  247   1HG2  ILE  37          1HG2      ILE  37   7.050  -1.421  -5.783
  248   2HG2  ILE  37          2HG2      ILE  37   6.766  -2.234  -7.329
  249   3HG2  ILE  37          3HG2      ILE  37   5.674  -0.932  -6.801
  250   1HD1  ILE  37          1HD1      ILE  37   6.272  -0.935  -3.699
  251   2HD1  ILE  37          2HD1      ILE  37   5.073  -1.426  -2.484
  252   3HD1  ILE  37          3HD1      ILE  37   6.302  -2.590  -3.031
  253    H    SER  38           H        SER  38   5.613  -5.503  -5.874
  254    HA   SER  38           HA       SER  38   3.448  -7.569  -6.052
  255   1HB   SER  38          1HB       SER  38   5.838  -8.330  -4.470
  256   2HB   SER  38          2HB       SER  38   6.254  -7.663  -6.051
  257    HG   SER  38           HG       SER  38   5.695  -9.996  -5.788
  258    H    THR  39           H        THR  39   2.532  -8.639  -4.303
  259    HA   THR  39           HA       THR  39   1.956  -6.951  -1.885
  260    HB   THR  39           HB       THR  39   0.264  -8.616  -1.273
  261    HG1  THR  39           HG1      THR  39   1.709 -10.247  -2.614
  262   1HG2  THR  39          1HG2      THR  39  -1.308  -8.382  -3.146
  263   2HG2  THR  39          2HG2      THR  39  -0.402  -6.861  -2.971
  264   3HG2  THR  39          3HG2      THR  39   0.006  -8.000  -4.282
  265    H    LYS  40           H        LYS  40   3.753  -9.846  -2.747
  266    HA   LYS  40           HA       LYS  40   4.253 -10.946  -0.082
  267   1HB   LYS  40          1HB       LYS  40   5.588 -11.263  -2.793
  268   2HB   LYS  40          2HB       LYS  40   6.483 -11.802  -1.389
  269   1HG   LYS  40          1HG       LYS  40   4.451 -13.259  -0.756
  270   2HG   LYS  40          2HG       LYS  40   3.701 -12.786  -2.268
  271   1HD   LYS  40          1HD       LYS  40   5.864 -13.761  -3.447
  272   2HD   LYS  40          2HD       LYS  40   6.247 -14.445  -1.876
  273   1HE   LYS  40          1HE       LYS  40   3.788 -15.483  -1.967
  274   2HE   LYS  40          2HE       LYS  40   3.899 -15.179  -3.702
  275   1HZ   LYS  40          1HZ       LYS  40   4.714 -17.417  -2.766
  276   2HZ   LYS  40          2HZ       LYS  40   5.661 -16.680  -3.902
  277   3HZ   LYS  40          3HZ       LYS  40   6.084 -16.617  -2.306
  278    H    GLU  41           H        GLU  41   5.773  -8.417  -2.001
  279    HA   GLU  41           HA       GLU  41   8.095  -8.067  -0.105
  280   1HB   GLU  41          1HB       GLU  41   7.931  -7.800  -2.827
  281   2HB   GLU  41          2HB       GLU  41   7.709  -6.124  -2.366
  282   1HG   GLU  41          1HG       GLU  41  10.099  -6.604  -2.830
  283   2HG   GLU  41          2HG       GLU  41   9.888  -6.101  -1.161
  284    H    LEU  42           H        LEU  42   5.037  -6.564  -0.937
  285    HA   LEU  42           HA       LEU  42   5.036  -3.949  -0.061
  286   1HB   LEU  42          1HB       LEU  42   2.949  -4.809  -0.774
  287   2HB   LEU  42          2HB       LEU  42   2.993  -6.171   0.324
  288    HG   LEU  42           HG       LEU  42   1.205  -4.588   0.923
  289   1HD1  LEU  42          1HD1      LEU  42   3.342  -2.456   1.564
  290   2HD1  LEU  42          2HD1      LEU  42   2.393  -2.471   0.070
  291   3HD1  LEU  42          3HD1      LEU  42   1.571  -2.273   1.637
  292   1HD2  LEU  42          1HD2      LEU  42   1.580  -4.367   3.341
  293   2HD2  LEU  42          2HD2      LEU  42   2.354  -5.879   2.804
  294   3HD2  LEU  42          3HD2      LEU  42   3.349  -4.450   3.138
  295    H    GLY  43           H        GLY  43   4.433  -6.649   2.214
  296   1HA   GLY  43          1HA       GLY  43   5.041  -6.954   4.561
  297   2HA   GLY  43          2HA       GLY  43   4.532  -5.275   4.700
  298    H    THR  44           H        THR  44   7.345  -6.777   3.042
  299    HA   THR  44           HA       THR  44   9.432  -6.132   4.794
  300    HB   THR  44           HB       THR  44   9.446  -6.345   1.788
  301    HG1  THR  44           HG1      THR  44  11.188  -7.822   2.614
  302   1HG2  THR  44          1HG2      THR  44  11.919  -6.019   1.700
  303   2HG2  THR  44          2HG2      THR  44  11.088  -4.501   2.099
  304   3HG2  THR  44          3HG2      THR  44  11.918  -5.424   3.379
  305    H    VAL  45           H        VAL  45   7.870  -4.052   2.377
  306    HA   VAL  45           HA       VAL  45   9.380  -1.588   2.715
  307    HB   VAL  45           HB       VAL  45   6.393  -1.603   2.097
  308   1HG1  VAL  45          1HG1      VAL  45   8.596  -2.074  -0.007
  309   2HG1  VAL  45          2HG1      VAL  45   7.602  -3.372   0.665
  310   3HG1  VAL  45          3HG1      VAL  45   6.831  -2.063  -0.260
  311   1HG2  VAL  45          1HG2      VAL  45   6.825   0.394   0.763
  312   2HG2  VAL  45          2HG2      VAL  45   7.609   0.665   2.337
  313   3HG2  VAL  45          3HG2      VAL  45   8.592   0.221   0.934
  314    H    MET  46           H        MET  46   6.428  -2.805   4.332
  315    HA   MET  46           HA       MET  46   5.778  -0.626   6.054
  316   1HB   MET  46          1HB       MET  46   4.824  -3.233   5.780
  317   2HB   MET  46          2HB       MET  46   4.213  -2.005   6.874
  318   1HG   MET  46          1HG       MET  46   6.098  -4.331   7.535
  319   2HG   MET  46          2HG       MET  46   5.997  -2.926   8.608
  320   1HE   MET  46          1HE       MET  46   2.355  -2.334   8.116
  321   2HE   MET  46          2HE       MET  46   2.423  -2.744   9.855
  322   3HE   MET  46          3HE       MET  46   3.736  -1.782   9.115
  323    NH1  ARG  47           NH1      ARG  47  13.634  -7.572   9.489
  324    NH2  ARG  47           NH2      ARG  47  11.900  -8.938   8.952
  325    H    ARG  47           H        ARG  47   8.205  -3.179   6.505
  326    HA   ARG  47           HA       ARG  47   8.949  -2.392   9.301
  327   1HB   ARG  47          1HB       ARG  47   9.164  -4.764   7.969
  328   2HB   ARG  47          2HB       ARG  47  10.769  -4.135   7.629
  329   1HG   ARG  47          1HG       ARG  47   9.635  -5.097  10.231
  330   2HG   ARG  47          2HG       ARG  47  10.592  -3.621  10.374
  331   1HD   ARG  47          1HD       ARG  47  12.258  -5.117   8.712
  332   2HD   ARG  47          2HD       ARG  47  12.423  -5.012  10.463
  333    HE   ARG  47           HE       ARG  47  10.594  -7.138  10.178
  334   1HH1  ARG  47          1HH1      ARG  47  12.621  -9.634   8.731
  335   2HH1  ARG  47          2HH1      ARG  47  10.885  -9.055   8.863
  336   1HH2  ARG  47          1HH2      ARG  47  13.947  -6.626   9.734
  337   2HH2  ARG  47          2HH2      ARG  47  14.230  -8.390   9.311
  338    H    MET  48           H        MET  48  10.160  -1.847   6.030
  339    HA   MET  48           HA       MET  48  12.761  -0.641   6.897
  340   1HB   MET  48          1HB       MET  48  11.520  -0.649   4.082
  341   2HB   MET  48          2HB       MET  48  12.490  -1.952   4.748
  342   1HG   MET  48          1HG       MET  48  13.422   0.887   4.032
  343   2HG   MET  48          2HG       MET  48  14.389  -0.154   5.089
  344   1HE   MET  48          1HE       MET  48  16.002  -1.559   4.487
  345   2HE   MET  48          2HE       MET  48  15.130  -3.026   3.951
  346   3HE   MET  48          3HE       MET  48  16.362  -2.284   2.889
  347    H    LEU  49           H        LEU  49   9.742   0.538   7.219
  348    HA   LEU  49           HA       LEU  49  10.413   3.428   6.509
  349   1HB   LEU  49          1HB       LEU  49   7.951   3.732   7.488
  350   2HB   LEU  49          2HB       LEU  49   7.821   2.001   7.263
  351    HG   LEU  49           HG       LEU  49   8.454   2.353   4.778
  352   1HD1  LEU  49          1HD1      LEU  49   6.143   3.051   4.127
  353   2HD1  LEU  49          2HD1      LEU  49   6.094   1.924   5.496
  354   3HD1  LEU  49          3HD1      LEU  49   5.837   3.665   5.772
  355   1HD2  LEU  49          1HD2      LEU  49   7.932   5.326   5.458
  356   2HD2  LEU  49          2HD2      LEU  49   9.478   4.629   4.915
  357   3HD2  LEU  49          3HD2      LEU  49   8.090   4.649   3.817
  358    H    GLY  50           H        GLY  50   9.787   1.196   9.168
  359   1HA   GLY  50          1HA       GLY  50  11.544   1.809  11.142
  360   2HA   GLY  50          2HA       GLY  50  10.605   3.303  11.229
  361    H    GLN  51           H        GLN  51   9.715  -0.131  10.835
  362    HA   GLN  51           HA       GLN  51   7.613   0.157  13.060
  363   1HB   GLN  51          1HB       GLN  51   7.284  -0.627  10.342
  364   2HB   GLN  51          2HB       GLN  51   7.221  -2.133  11.240
  365   1HG   GLN  51          1HG       GLN  51   5.032  -1.709  11.608
  366   2HG   GLN  51          2HG       GLN  51   5.535  -0.526  12.798
  367   1HE2  GLN  51          1HE2      GLN  51   4.187   2.189  10.903
  368   2HE2  GLN  51          2HE2      GLN  51   4.620   1.440  12.521
  369    H    ASN  52           H        ASN  52   7.043  -2.489  13.427
  370    HA   ASN  52           HA       ASN  52   9.506  -4.039  14.120
  371   1HB   ASN  52          1HB       ASN  52   9.712  -2.525  15.936
  372   2HB   ASN  52          2HB       ASN  52   9.081  -4.002  16.632
  373   1HD2  ASN  52          1HD2      ASN  52   7.039  -0.460  16.974
  374   2HD2  ASN  52          2HD2      ASN  52   8.637  -0.624  16.086
  375    HA   PRO  53           HA       PRO  53   5.252  -6.304  14.256
  376   1HB   PRO  53          1HB       PRO  53   4.273  -5.032  12.517
  377   2HB   PRO  53          2HB       PRO  53   4.426  -6.591  11.687
  378   1HG   PRO  53          1HG       PRO  53   5.631  -4.275  10.750
  379   2HG   PRO  53          2HG       PRO  53   6.212  -5.904  10.337
  380   1HD   PRO  53          1HD       PRO  53   7.570  -3.862  11.927
  381   2HD   PRO  53          2HD       PRO  53   8.147  -5.525  11.604
  382    H    THR  54           H        THR  54   4.470  -8.465  13.235
  383    HA   THR  54           HA       THR  54   6.829 -10.392  13.253
  384    HB   THR  54           HB       THR  54   3.979 -10.632  14.178
  385    HG1  THR  54           HG1      THR  54   4.988 -11.537  15.872
  386   1HG2  THR  54          1HG2      THR  54   4.041 -13.104  14.239
  387   2HG2  THR  54          2HG2      THR  54   4.101 -12.544  12.552
  388   3HG2  THR  54          3HG2      THR  54   5.582 -13.131  13.350
  389    H    LYS  55           H        LYS  55   6.955 -12.065  11.741
  390    HA   LYS  55           HA       LYS  55   6.278 -11.264   8.949
  391   1HB   LYS  55          1HB       LYS  55   7.409 -14.007   9.669
  392   2HB   LYS  55          2HB       LYS  55   8.412 -12.589   9.887
  393   1HG   LYS  55          1HG       LYS  55   7.552 -12.162   7.289
  394   2HG   LYS  55          2HG       LYS  55   7.452 -13.910   7.346
  395   1HD   LYS  55          1HD       LYS  55   9.960 -12.165   7.734
  396   2HD   LYS  55          2HD       LYS  55   9.921 -13.839   8.263
  397   1HE   LYS  55          1HE       LYS  55   9.162 -13.161   5.374
  398   2HE   LYS  55          2HE       LYS  55  10.859 -13.297   5.839
  399   1HZ   LYS  55          1HZ       LYS  55   9.966 -15.566   6.861
  400   2HZ   LYS  55          2HZ       LYS  55   8.807 -15.386   5.697
  401   3HZ   LYS  55          3HZ       LYS  55  10.402 -15.446   5.272
  402    H    GLU  56           H        GLU  56   5.225 -13.695  11.294
  403    HA   GLU  56           HA       GLU  56   3.442 -15.252   9.517
  404   1HB   GLU  56          1HB       GLU  56   4.474 -15.895  11.863
  405   2HB   GLU  56          2HB       GLU  56   3.061 -15.106  12.534
  406   1HG   GLU  56          1HG       GLU  56   3.241 -17.694  10.948
  407   2HG   GLU  56          2HG       GLU  56   1.771 -16.754  10.758
  408    H    GLU  57           H        GLU  57   3.127 -12.400  11.559
  409    HA   GLU  57           HA       GLU  57   0.168 -12.179  11.539
  410   1HB   GLU  57          1HB       GLU  57   2.240  -9.988  12.089
  411   2HB   GLU  57          2HB       GLU  57   0.513  -9.845  12.354
  412   1HG   GLU  57          1HG       GLU  57   2.216 -11.984  13.780
  413   2HG   GLU  57          2HG       GLU  57   2.013 -10.361  14.416
  414    H    LEU  58           H        LEU  58   2.819 -11.102   9.487
  415    HA   LEU  58           HA       LEU  58   1.435  -9.218   7.750
  416   1HB   LEU  58          1HB       LEU  58   3.996  -9.804   7.901
  417   2HB   LEU  58          2HB       LEU  58   3.648 -11.095   6.770
  418    HG   LEU  58           HG       LEU  58   4.558  -8.958   5.728
  419   1HD1  LEU  58          1HD1      LEU  58   2.998  -8.963   3.755
  420   2HD1  LEU  58          2HD1      LEU  58   3.364 -10.608   4.293
  421   3HD1  LEU  58          3HD1      LEU  58   1.792  -9.877   4.697
  422   1HD2  LEU  58          1HD2      LEU  58   1.777  -7.773   6.382
  423   2HD2  LEU  58          2HD2      LEU  58   3.323  -7.260   7.102
  424   3HD2  LEU  58          3HD2      LEU  58   3.031  -7.011   5.371
  425    H    ASP  59           H        ASP  59   1.657 -12.735   7.792
  426    HA   ASP  59           HA       ASP  59   0.342 -13.493   5.342
  427   1HB   ASP  59          1HB       ASP  59  -0.088 -14.917   8.028
  428   2HB   ASP  59          2HB       ASP  59  -0.369 -15.577   6.434
  429    H    ALA  60           H        ALA  60  -1.051 -12.562   8.490
  430    HA   ALA  60           HA       ALA  60  -3.874 -12.869   7.812
  431   1HB   ALA  60          1HB       ALA  60  -4.320 -11.510   9.851
  432   2HB   ALA  60          2HB       ALA  60  -3.088 -12.750  10.157
  433   3HB   ALA  60          3HB       ALA  60  -2.605 -11.046   9.956
  434    H    ILE  61           H        ILE  61  -1.740 -10.000   7.827
  435    HA   ILE  61           HA       ILE  61  -3.530  -7.915   7.208
  436    HB   ILE  61           HB       ILE  61  -0.592  -8.250   6.579
  437   1HG1  ILE  61          1HG1      ILE  61  -2.271  -6.612   8.514
  438   2HG1  ILE  61          2HG1      ILE  61  -0.792  -7.504   8.799
  439   1HG2  ILE  61          1HG2      ILE  61  -0.464  -5.969   5.544
  440   2HG2  ILE  61          2HG2      ILE  61  -1.447  -7.046   4.554
  441   3HG2  ILE  61          3HG2      ILE  61  -2.239  -5.831   5.584
  442   1HD1  ILE  61          1HD1      ILE  61  -0.910  -4.759   7.419
  443   2HD1  ILE  61          2HD1      ILE  61  -0.305  -5.135   9.046
  444   3HD1  ILE  61          3HD1      ILE  61   0.570  -5.738   7.619
  445    H    ILE  62           H        ILE  62  -2.096 -10.378   5.139
  446    HA   ILE  62           HA       ILE  62  -2.722  -9.281   2.490
  447    HB   ILE  62           HB       ILE  62  -2.043 -12.063   3.478
  448   1HG1  ILE  62          1HG1      ILE  62  -0.033 -10.875   3.081
  449   2HG1  ILE  62          2HG1      ILE  62  -0.245 -11.761   1.586
  450   1HG2  ILE  62          1HG2      ILE  62  -2.274 -13.021   1.172
  451   2HG2  ILE  62          2HG2      ILE  62  -3.842 -12.489   1.775
  452   3HG2  ILE  62          3HG2      ILE  62  -2.974 -11.492   0.585
  453   1HD1  ILE  62          1HD1      ILE  62  -0.879  -8.771   1.923
  454   2HD1  ILE  62          2HD1      ILE  62   0.468  -9.506   1.029
  455   3HD1  ILE  62          3HD1      ILE  62  -1.198  -9.721   0.445
  456    H    GLU  63           H        GLU  63  -4.424 -11.640   4.569
  457    HA   GLU  63           HA       GLU  63  -6.715 -12.134   2.842
  458   1HB   GLU  63          1HB       GLU  63  -7.030 -12.278   5.857
  459   2HB   GLU  63          2HB       GLU  63  -5.886 -13.348   5.072
  460   1HG   GLU  63          1HG       GLU  63  -8.860 -13.186   4.263
  461   2HG   GLU  63          2HG       GLU  63  -8.249 -14.293   5.481
  462    H    GLU  64           H        GLU  64  -6.001  -9.623   5.199
  463    HA   GLU  64           HA       GLU  64  -8.717  -8.526   5.515
  464   1HB   GLU  64          1HB       GLU  64  -5.949  -7.497   6.232
  465   2HB   GLU  64          2HB       GLU  64  -7.318  -6.406   6.309
  466   1HG   GLU  64          1HG       GLU  64  -7.010  -7.295   8.536
  467   2HG   GLU  64          2HG       GLU  64  -6.831  -8.944   7.963
  468    H    VAL  65           H        VAL  65  -5.982  -7.830   3.380
  469    HA   VAL  65           HA       VAL  65  -7.147  -5.354   2.188
  470    HB   VAL  65           HB       VAL  65  -5.209  -5.888   0.399
  471   1HG1  VAL  65          1HG1      VAL  65  -3.669  -4.475   1.772
  472   2HG1  VAL  65          2HG1      VAL  65  -5.328  -3.852   1.844
  473   3HG1  VAL  65          3HG1      VAL  65  -4.660  -4.755   3.225
  474   1HG2  VAL  65          1HG2      VAL  65  -4.175  -7.407   2.892
  475   2HG2  VAL  65          2HG2      VAL  65  -4.501  -8.112   1.290
  476   3HG2  VAL  65          3HG2      VAL  65  -3.197  -6.932   1.482
  477    H    ASP  66           H        ASP  66  -5.976  -8.130   0.300
  478    HA   ASP  66           HA       ASP  66  -8.510  -8.047  -1.400
  479   1HB   ASP  66          1HB       ASP  66  -6.168  -9.729  -2.296
  480   2HB   ASP  66          2HB       ASP  66  -5.923  -7.997  -2.289
  481    H    GLU  67           H        GLU  67  -9.399  -9.031   0.640
  482    HA   GLU  67           HA       GLU  67  -9.036 -11.684   1.621
  483   1HB   GLU  67          1HB       GLU  67 -10.726 -10.827   2.831
  484   2HB   GLU  67          2HB       GLU  67 -11.325  -9.823   1.526
  485   1HG   GLU  67          1HG       GLU  67 -12.848 -11.466   0.751
  486   2HG   GLU  67          2HG       GLU  67 -11.887 -12.812   1.340
  487    H    ASP  68           H        ASP  68 -10.458 -10.596  -1.413
  488    HA   ASP  68           HA       ASP  68 -11.316 -13.375  -2.255
  489   1HB   ASP  68          1HB       ASP  68 -12.080 -12.166  -4.409
  490   2HB   ASP  68          2HB       ASP  68 -11.669 -10.658  -3.627
  491    H    GLY  69           H        GLY  69  -9.131 -14.182  -2.149
  492   1HA   GLY  69          1HA       GLY  69  -7.521 -15.317  -3.667
  493   2HA   GLY  69          2HA       GLY  69  -7.830 -14.070  -4.879
  494    H    SER  70           H        SER  70  -5.679 -13.680  -5.226
  495    HA   SER  70           HA       SER  70  -4.342 -11.760  -3.303
  496   1HB   SER  70          1HB       SER  70  -2.580 -14.035  -4.282
  497   2HB   SER  70          2HB       SER  70  -2.354 -12.938  -2.917
  498    HG   SER  70           HG       SER  70  -3.065 -15.146  -2.484
  499    H    GLY  71           H        GLY  71  -4.723 -10.228  -4.902
  500   1HA   GLY  71          1HA       GLY  71  -4.635  -9.230  -7.182
  501   2HA   GLY  71          2HA       GLY  71  -3.661 -10.604  -7.714
  502    H    THR  72           H        THR  72  -3.631  -7.414  -6.565
  503    HA   THR  72           HA       THR  72  -0.632  -7.352  -6.098
  504    HB   THR  72           HB       THR  72  -0.339  -5.424  -7.667
  505    HG1  THR  72           HG1      THR  72  -1.977  -5.386  -9.349
  506   1HG2  THR  72          1HG2      THR  72  -0.592  -6.785  -9.900
  507   2HG2  THR  72          2HG2      THR  72   0.557  -7.386  -8.684
  508   3HG2  THR  72          3HG2      THR  72  -1.039  -8.161  -8.866
  509    H    ILE  73           H        ILE  73  -0.222  -4.687  -5.921
  510    HA   ILE  73           HA       ILE  73  -2.321  -3.499  -4.115
  511    HB   ILE  73           HB       ILE  73  -0.712  -4.883  -2.706
  512   1HG1  ILE  73          1HG1      ILE  73  -2.303  -2.853  -2.027
  513   2HG1  ILE  73          2HG1      ILE  73  -1.247  -3.636  -0.865
  514   1HG2  ILE  73          1HG2      ILE  73   1.452  -3.955  -1.972
  515   2HG2  ILE  73          2HG2      ILE  73   1.492  -4.180  -3.726
  516   3HG2  ILE  73          3HG2      ILE  73   1.279  -2.549  -3.047
  517   1HD1  ILE  73          1HD1      ILE  73  -0.018  -1.733  -0.469
  518   2HD1  ILE  73          2HD1      ILE  73   0.116  -1.345  -2.198
  519   3HD1  ILE  73          3HD1      ILE  73  -1.346  -0.875  -1.298
  520    H    ASP  74           H        ASP  74  -2.261  -1.268  -3.981
  521    HA   ASP  74           HA       ASP  74  -0.433   0.171  -5.980
  522   1HB   ASP  74          1HB       ASP  74  -2.440   1.856  -6.129
  523   2HB   ASP  74          2HB       ASP  74  -2.447   0.382  -7.069
  524    H    PHE  75           H        PHE  75  -0.619   2.661  -5.487
  525    HA   PHE  75           HA       PHE  75   0.793   3.087  -2.913
  526   1HB   PHE  75          1HB       PHE  75  -0.232   5.284  -4.797
  527   2HB   PHE  75          2HB       PHE  75   1.165   4.317  -5.192
  528    HD1  PHE  75           HD1      PHE  75   0.750   4.992  -1.581
  529    HD2  PHE  75           HD2      PHE  75   2.434   6.529  -5.231
  530    HE1  PHE  75           HE1      PHE  75   1.974   6.705  -0.308
  531    HE2  PHE  75           HE2      PHE  75   3.652   8.235  -3.937
  532    HZ   PHE  75           HZ       PHE  75   3.424   8.328  -1.481
  533    H    GLU  76           H        GLU  76  -2.474   3.500  -4.134
  534    HA   GLU  76           HA       GLU  76  -3.536   5.337  -2.118
  535   1HB   GLU  76          1HB       GLU  76  -5.812   4.088  -2.862
  536   2HB   GLU  76          2HB       GLU  76  -4.794   3.491  -4.157
  537   1HG   GLU  76          1HG       GLU  76  -4.828   6.501  -3.598
  538   2HG   GLU  76          2HG       GLU  76  -4.459   5.666  -5.098
  539    H    GLU  77           H        GLU  77  -4.305   1.870  -2.495
  540    HA   GLU  77           HA       GLU  77  -5.255   1.300   0.178
  541   1HB   GLU  77          1HB       GLU  77  -4.247  -1.129  -0.388
  542   2HB   GLU  77          2HB       GLU  77  -4.085  -0.452  -1.996
  543   1HG   GLU  77          1HG       GLU  77  -6.641  -0.998  -0.406
  544   2HG   GLU  77          2HG       GLU  77  -6.676   0.232  -1.658
  545    H    PHE  78           H        PHE  78  -2.011   1.620  -1.122
  546    HA   PHE  78           HA       PHE  78  -0.464   0.325   0.971
  547   1HB   PHE  78          1HB       PHE  78   0.187   2.372  -1.176
  548   2HB   PHE  78          2HB       PHE  78   0.740   0.726  -1.014
  549    HD1  PHE  78           HD1      PHE  78   2.081   3.788  -1.186
  550    HD2  PHE  78           HD2      PHE  78   1.912   0.643   1.745
  551    HE1  PHE  78           HE1      PHE  78   4.221   4.545  -0.234
  552    HE2  PHE  78           HE2      PHE  78   4.069   1.394   2.661
  553    HZ   PHE  78           HZ       PHE  78   5.234   3.332   1.666
  554    H    LEU  79           H        LEU  79  -1.654   3.644   0.588
  555    HA   LEU  79           HA       LEU  79  -0.419   4.784   3.046
  556   1HB   LEU  79          1HB       LEU  79  -2.205   6.629   2.691
  557   2HB   LEU  79          2HB       LEU  79  -2.724   5.756   1.266
  558    HG   LEU  79           HG       LEU  79  -0.386   6.009   0.280
  559   1HD1  LEU  79          1HD1      LEU  79  -0.645   8.419  -0.326
  560   2HD1  LEU  79          2HD1      LEU  79  -2.215   7.596  -0.357
  561   3HD1  LEU  79          3HD1      LEU  79  -1.799   8.659   1.010
  562   1HD2  LEU  79          1HD2      LEU  79   0.119   7.847   2.715
  563   2HD2  LEU  79          2HD2      LEU  79   0.958   6.316   2.362
  564   3HD2  LEU  79          3HD2      LEU  79   1.176   7.705   1.287
  565    H    VAL  80           H        VAL  80  -3.382   3.091   2.204
  566    HA   VAL  80           HA       VAL  80  -5.018   3.700   4.528
  567    HB   VAL  80           HB       VAL  80  -5.147   1.694   2.343
  568   1HG1  VAL  80          1HG1      VAL  80  -6.825   0.202   3.447
  569   2HG1  VAL  80          2HG1      VAL  80  -5.246   0.056   4.230
  570   3HG1  VAL  80          3HG1      VAL  80  -6.533   1.000   5.014
  571   1HG2  VAL  80          1HG2      VAL  80  -7.379   3.216   3.841
  572   2HG2  VAL  80          2HG2      VAL  80  -6.585   3.769   2.348
  573   3HG2  VAL  80          3HG2      VAL  80  -7.562   2.292   2.329
  574    H    MET  81           H        MET  81  -2.479   1.326   3.925
  575    HA   MET  81           HA       MET  81  -2.728  -0.260   6.388
  576   1HB   MET  81          1HB       MET  81  -0.022   0.084   5.037
  577   2HB   MET  81          2HB       MET  81  -0.705  -1.323   5.830
  578   1HG   MET  81          1HG       MET  81  -0.540  -1.550   3.309
  579   2HG   MET  81          2HG       MET  81  -1.714  -0.237   3.126
  580   1HE   MET  81          1HE       MET  81  -0.980  -3.664   4.841
  581   2HE   MET  81          2HE       MET  81  -1.993  -3.022   6.168
  582   3HE   MET  81          3HE       MET  81  -2.602  -4.361   5.150
  583    H    MET  82           H        MET  82  -0.229   2.143   5.498
  584    HA   MET  82           HA       MET  82   1.113   2.421   7.991
  585   1HB   MET  82          1HB       MET  82   0.767   4.302   5.639
  586   2HB   MET  82          2HB       MET  82   1.399   4.982   7.127
  587   1HG   MET  82          1HG       MET  82   3.151   4.147   5.418
  588   2HG   MET  82          2HG       MET  82   3.376   3.597   7.086
  589   1HE   MET  82          1HE       MET  82   4.935   1.035   5.683
  590   2HE   MET  82          2HE       MET  82   4.473   1.785   7.239
  591   3HE   MET  82          3HE       MET  82   3.927   0.127   6.854
  592    H    VAL  83           H        VAL  83  -1.945   3.811   6.957
  593    HA   VAL  83           HA       VAL  83  -2.323   5.735   9.152
  594    HB   VAL  83           HB       VAL  83  -4.088   4.621   6.994
  595   1HG1  VAL  83          1HG1      VAL  83  -3.798   7.516   8.012
  596   2HG1  VAL  83          2HG1      VAL  83  -2.728   6.806   6.795
  597   3HG1  VAL  83          3HG1      VAL  83  -4.466   6.967   6.453
  598   1HG2  VAL  83          1HG2      VAL  83  -6.187   5.507   7.872
  599   2HG2  VAL  83          2HG2      VAL  83  -5.549   4.407   9.116
  600   3HG2  VAL  83          3HG2      VAL  83  -5.394   6.156   9.330
  601    NH1  ARG  84           NH1      ARG  84  -8.506  -2.499   9.267
  602    NH2  ARG  84           NH2      ARG  84  -9.164  -2.141   7.122
  603    H    ARG  84           H        ARG  84  -3.660   2.463   8.551
  604    HA   ARG  84           HA       ARG  84  -5.108   1.921  10.943
  605   1HB   ARG  84          1HB       ARG  84  -3.750   0.244   8.888
  606   2HB   ARG  84          2HB       ARG  84  -3.781  -0.518  10.472
  607   1HG   ARG  84          1HG       ARG  84  -6.173  -0.531  10.611
  608   2HG   ARG  84          2HG       ARG  84  -6.362   0.684   9.346
  609   1HD   ARG  84          1HD       ARG  84  -5.051  -1.251   7.875
  610   2HD   ARG  84          2HD       ARG  84  -5.827  -2.293   9.066
  611    HE   ARG  84           HE       ARG  84  -7.298  -0.514   7.085
  612   1HH1  ARG  84          1HH1      ARG  84  -9.330  -3.106   9.337
  613   2HH1  ARG  84          2HH1      ARG  84  -7.843  -2.273  10.017
  614   1HH2  ARG  84          1HH2      ARG  84  -8.969  -1.696   6.218
  615   2HH2  ARG  84          2HH2      ARG  84  -9.979  -2.716   7.361
  616    H    GLN  85           H        GLN  85  -1.593   1.668  10.406
  617    HA   GLN  85           HA       GLN  85  -0.922   0.414  12.999
  618   1HB   GLN  85          1HB       GLN  85   0.472   0.602  10.708
  619   2HB   GLN  85          2HB       GLN  85   1.101   2.066  11.445
  620   1HG   GLN  85          1HG       GLN  85   1.958   0.794  13.405
  621   2HG   GLN  85          2HG       GLN  85   2.636   0.211  11.899
  622   1HE2  GLN  85          1HE2      GLN  85   0.605  -2.375  14.306
  623   2HE2  GLN  85          2HE2      GLN  85   0.832  -0.601  14.717
  624    H    MET  86           H        MET  86  -0.435   3.722  11.734
  625    HA   MET  86           HA       MET  86   0.762   4.996  14.000
  626   1HB   MET  86          1HB       MET  86  -0.692   5.961  11.583
  627   2HB   MET  86          2HB       MET  86  -0.851   7.042  12.955
  628   1HG   MET  86          1HG       MET  86   1.566   6.454  11.281
  629   2HG   MET  86          2HG       MET  86   1.903   6.525  13.018
  630   1HE   MET  86          1HE       MET  86   3.311   8.835  11.235
  631   2HE   MET  86          2HE       MET  86   2.963  10.160  12.386
  632   3HE   MET  86          3HE       MET  86   3.379   8.533  13.000
  633    H    LYS  87           H        LYS  87  -2.642   4.336  13.315
  634    HA   LYS  87           HA       LYS  87  -3.821   5.840  15.587
  635   1HB   LYS  87          1HB       LYS  87  -5.034   4.989  13.428
  636   2HB   LYS  87          2HB       LYS  87  -5.132   3.426  14.212
  637   1HG   LYS  87          1HG       LYS  87  -6.884   4.062  15.524
  638   2HG   LYS  87          2HG       LYS  87  -7.062   5.367  14.367
  639   1HD   LYS  87          1HD       LYS  87  -5.282   5.774  16.838
  640   2HD   LYS  87          2HD       LYS  87  -6.041   6.981  15.813
  641   1HE   LYS  87          1HE       LYS  87  -8.269   6.540  16.703
  642   2HE   LYS  87          2HE       LYS  87  -7.742   5.079  17.540
  643   1HZ   LYS  87          1HZ       LYS  87  -7.165   7.898  18.226
  644   2HZ   LYS  87          2HZ       LYS  87  -7.770   6.697  19.186
  645   3HZ   LYS  87          3HZ       LYS  87  -6.168   6.704  18.782
  646    H    GLU  88           H        GLU  88  -3.208   2.358  14.991
  647    HA   GLU  88           HA       GLU  88  -2.645   0.552  16.476
  648   1HB   GLU  88          1HB       GLU  88  -1.306   2.690  17.548
  649   2HB   GLU  88          2HB       GLU  88  -2.361   2.312  18.896
  650   1HG   GLU  88          1HG       GLU  88  -1.401  -0.236  18.323
  651   2HG   GLU  88          2HG       GLU  88  -0.048   0.731  17.762
  652    H    ASP  89           H        ASP  89  -3.688  -0.741  18.018
  653    HA   ASP  89           HA       ASP  89  -6.629  -0.086  18.354
  654   1HB   ASP  89          1HB       ASP  89  -6.423  -2.668  19.308
  655   2HB   ASP  89          2HB       ASP  89  -5.060  -2.645  18.214
  656    H    ALA  90           H        ALA  90  -4.026  -1.526  20.346
  657    HA   ALA  90           HA       ALA  90  -3.570  -1.463  22.716
  658   1HB   ALA  90          1HB       ALA  90  -5.009   1.150  23.143
  659   2HB   ALA  90          2HB       ALA  90  -3.344   0.689  23.550
  660   3HB   ALA  90          3HB       ALA  90  -3.743   1.194  21.890
   
  Start of MODEL           2
 Raw file had  660 H/Q atoms
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1 -22.242  -1.404   5.617
    2   2H    ALA   1          2H        ALA   1 -21.457  -2.064   6.950
    3   3H    ALA   1          3H        ALA   1 -21.812  -0.421   6.912
    4    HA   ALA   1           HA       ALA   1 -19.665  -1.921   5.687
    5   1HB   ALA   1          1HB       ALA   1 -19.599  -0.854   3.604
    6   2HB   ALA   1          2HB       ALA   1 -21.357  -0.964   3.814
    7   3HB   ALA   1          3HB       ALA   1 -20.516   0.573   4.144
    8    H    SER   2           H        SER   2 -18.076  -1.295   6.959
    9    HA   SER   2           HA       SER   2 -18.029   1.441   8.292
   10   1HB   SER   2          1HB       SER   2 -16.842  -1.246   8.933
   11   2HB   SER   2          2HB       SER   2 -15.863   0.156   9.372
   12    HG   SER   2           HG       SER   2 -17.559  -0.676  10.862
   13    H    MET   3           H        MET   3 -17.553   1.131   5.443
   14    HA   MET   3           HA       MET   3 -14.839   2.496   5.230
   15   1HB   MET   3          1HB       MET   3 -14.100   1.123   3.325
   16   2HB   MET   3          2HB       MET   3 -15.565   0.160   3.379
   17   1HG   MET   3          1HG       MET   3 -13.202   0.110   5.322
   18   2HG   MET   3          2HG       MET   3 -14.789  -0.458   5.866
   19   1HE   MET   3          1HE       MET   3 -16.073  -2.925   4.423
   20   2HE   MET   3          2HE       MET   3 -14.735  -3.958   5.007
   21   3HE   MET   3          3HE       MET   3 -15.284  -2.571   5.992
   22    H    THR   4           H        THR   4 -17.178   3.768   5.267
   23    HA   THR   4           HA       THR   4 -18.697   4.263   2.873
   24    HB   THR   4           HB       THR   4 -17.821   6.276   4.999
   25    HG1  THR   4           HG1      THR   4 -19.887   4.460   4.653
   26   1HG2  THR   4          1HG2      THR   4 -19.673   7.742   4.290
   27   2HG2  THR   4          2HG2      THR   4 -18.522   7.572   2.946
   28   3HG2  THR   4          3HG2      THR   4 -20.069   6.687   2.916
   29    H    ASP   5           H        ASP   5 -15.414   5.147   3.753
   30    HA   ASP   5           HA       ASP   5 -14.327   5.405   1.126
   31   1HB   ASP   5          1HB       ASP   5 -15.989   7.723   1.685
   32   2HB   ASP   5          2HB       ASP   5 -14.325   8.258   1.641
   33    H    GLN   6           H        GLN   6 -13.186   4.257   2.981
   34    HA   GLN   6           HA       GLN   6 -11.455   5.742   4.878
   35   1HB   GLN   6          1HB       GLN   6 -10.072   3.495   4.761
   36   2HB   GLN   6          2HB       GLN   6 -11.636   3.554   5.555
   37   1HG   GLN   6          1HG       GLN   6 -11.443   2.679   2.626
   38   2HG   GLN   6          2HG       GLN   6 -12.759   2.400   3.748
   39   1HE2  GLN   6          1HE2      GLN   6 -10.907  -0.840   3.564
   40   2HE2  GLN   6          2HE2      GLN   6 -11.784   0.267   2.392
   41    H    GLN   7           H        GLN   7 -11.251   4.752   1.507
   42    HA   GLN   7           HA       GLN   7  -8.458   4.953   0.896
   43   1HB   GLN   7          1HB       GLN   7 -10.200   6.208  -1.189
   44   2HB   GLN   7          2HB       GLN   7  -9.014   4.921  -1.311
   45   1HG   GLN   7          1HG       GLN   7 -11.921   4.632  -0.358
   46   2HG   GLN   7          2HG       GLN   7 -11.255   4.068  -1.877
   47   1HE2  GLN   7          1HE2      GLN   7 -11.429   1.215   0.686
   48   2HE2  GLN   7          2HE2      GLN   7 -12.621   2.479   0.096
   49    H    ALA   8           H        ALA   8 -10.887   7.579   0.586
   50    HA   ALA   8           HA       ALA   8  -8.876   9.692   0.049
   51   1HB   ALA   8          1HB       ALA   8 -11.868   9.534   0.252
   52   2HB   ALA   8          2HB       ALA   8 -11.160  11.119   0.616
   53   3HB   ALA   8          3HB       ALA   8 -10.848  10.345  -0.959
   54    H    GLU   9           H        GLU   9 -10.605   8.494   2.868
   55    HA   GLU   9           HA       GLU   9 -10.107  10.632   4.806
   56   1HB   GLU   9          1HB       GLU   9 -11.732   8.955   5.359
   57   2HB   GLU   9          2HB       GLU   9 -10.588   7.640   5.177
   58   1HG   GLU   9          1HG       GLU   9 -10.733   7.808   7.516
   59   2HG   GLU   9          2HG       GLU   9  -9.285   8.751   7.207
   60    H    ALA  10           H        ALA  10  -8.117   8.067   3.474
   61    HA   ALA  10           HA       ALA  10  -6.039   7.847   5.511
   62   1HB   ALA  10          1HB       ALA  10  -4.675   6.757   3.737
   63   2HB   ALA  10          2HB       ALA  10  -6.337   6.138   3.747
   64   3HB   ALA  10          3HB       ALA  10  -5.823   7.286   2.485
   65    NH1  ARG  11           NH1      ARG  11  -7.046   9.930  -2.697
   66    NH2  ARG  11           NH2      ARG  11  -5.463  10.766  -4.097
   67    H    ARG  11           H        ARG  11  -6.001   9.590   2.381
   68    HA   ARG  11           HA       ARG  11  -3.380  10.904   2.742
   69   1HB   ARG  11          1HB       ARG  11  -4.227  12.430   0.817
   70   2HB   ARG  11          2HB       ARG  11  -3.986  10.718   0.499
   71   1HG   ARG  11          1HG       ARG  11  -6.309  10.223   0.387
   72   2HG   ARG  11          2HG       ARG  11  -6.780  11.660   1.297
   73   1HD   ARG  11          1HD       ARG  11  -6.035  13.132  -0.641
   74   2HD   ARG  11          2HD       ARG  11  -7.370  12.055  -1.048
   75    HE   ARG  11           HE       ARG  11  -4.498  11.700  -1.993
   76   1HH1  ARG  11          1HH1      ARG  11  -7.316   9.331  -3.485
   77   2HH1  ARG  11          2HH1      ARG  11  -7.495   9.974  -1.776
   78   1HH2  ARG  11          1HH2      ARG  11  -4.604  11.318  -4.201
   79   2HH2  ARG  11          2HH2      ARG  11  -5.947  10.237  -4.831
   80    H    ALA  12           H        ALA  12  -6.723  11.767   3.463
   81    HA   ALA  12           HA       ALA  12  -6.697  14.528   4.086
   82   1HB   ALA  12          1HB       ALA  12  -8.429  14.083   5.815
   83   2HB   ALA  12          2HB       ALA  12  -8.724  13.127   4.349
   84   3HB   ALA  12          3HB       ALA  12  -8.045  12.344   5.797
   85    H    PHE  13           H        PHE  13  -5.388  11.853   6.028
   86    HA   PHE  13           HA       PHE  13  -4.343  13.770   8.150
   87   1HB   PHE  13          1HB       PHE  13  -4.570  10.702   8.167
   88   2HB   PHE  13          2HB       PHE  13  -5.671  11.813   8.938
   89    HD1  PHE  13           HD1      PHE  13  -4.042   9.527  10.273
   90    HD2  PHE  13           HD2      PHE  13  -3.188  13.727   9.874
   91    HE1  PHE  13           HE1      PHE  13  -2.824   9.494  12.411
   92    HE2  PHE  13           HE2      PHE  13  -1.982  13.675  12.017
   93    HZ   PHE  13           HZ       PHE  13  -1.742  11.550  13.256
   94    H    LEU  14           H        LEU  14  -3.139  14.002   5.717
   95    HA   LEU  14           HA       LEU  14  -0.272  13.205   6.270
   96   1HB   LEU  14          1HB       LEU  14  -1.744  12.311   3.723
   97   2HB   LEU  14          2HB       LEU  14   0.001  12.385   3.845
   98    HG   LEU  14           HG       LEU  14  -1.655  10.696   5.808
   99   1HD1  LEU  14          1HD1      LEU  14   1.277  10.384   4.902
  100   2HD1  LEU  14          2HD1      LEU  14   0.776  11.208   6.390
  101   3HD1  LEU  14          3HD1      LEU  14   0.451   9.468   6.188
  102   1HD2  LEU  14          1HD2      LEU  14  -1.386   8.722   4.365
  103   2HD2  LEU  14          2HD2      LEU  14  -2.155   9.994   3.384
  104   3HD2  LEU  14          3HD2      LEU  14  -0.433   9.645   3.176
  105    H    SER  15           H        SER  15   1.115  14.692   5.526
  106    HA   SER  15           HA       SER  15   0.082  17.354   4.633
  107   1HB   SER  15          1HB       SER  15   1.805  17.706   6.116
  108   2HB   SER  15          2HB       SER  15   2.717  16.279   5.617
  109    HG   SER  15           HG       SER  15   2.362  18.606   4.028
  110    H    GLU  16           H        GLU  16   0.862  18.455   2.752
  111    HA   GLU  16           HA       GLU  16   0.649  16.919   0.258
  112   1HB   GLU  16          1HB       GLU  16   1.010  19.815   0.957
  113   2HB   GLU  16          2HB       GLU  16   1.600  19.343  -0.624
  114   1HG   GLU  16          1HG       GLU  16  -0.816  18.218  -0.922
  115   2HG   GLU  16          2HG       GLU  16  -1.271  19.228   0.440
  116    H    GLU  17           H        GLU  17   3.315  18.244   2.126
  117    HA   GLU  17           HA       GLU  17   5.436  17.681   0.064
  118   1HB   GLU  17          1HB       GLU  17   6.967  18.783   1.393
  119   2HB   GLU  17          2HB       GLU  17   5.480  19.631   1.766
  120   1HG   GLU  17          1HG       GLU  17   5.312  18.634   3.971
  121   2HG   GLU  17          2HG       GLU  17   6.440  17.347   3.581
  122    H    MET  18           H        MET  18   4.102  16.268   3.002
  123    HA   MET  18           HA       MET  18   6.127  14.210   3.523
  124   1HB   MET  18          1HB       MET  18   4.747  14.572   5.375
  125   2HB   MET  18          2HB       MET  18   3.272  14.651   4.429
  126   1HG   MET  18          1HG       MET  18   3.402  12.119   4.058
  127   2HG   MET  18          2HG       MET  18   4.824  12.077   5.113
  128   1HE   MET  18          1HE       MET  18   3.066  13.969   8.347
  129   2HE   MET  18          2HE       MET  18   4.593  13.869   7.422
  130   3HE   MET  18          3HE       MET  18   3.275  14.933   6.851
  131    H    ILE  19           H        ILE  19   3.289  14.394   1.448
  132    HA   ILE  19           HA       ILE  19   2.902  11.628   0.695
  133    HB   ILE  19           HB       ILE  19   2.339  14.217  -0.792
  134   1HG1  ILE  19          1HG1      ILE  19   0.686  13.759   0.928
  135   2HG1  ILE  19          2HG1      ILE  19  -0.065  13.396  -0.611
  136   1HG2  ILE  19          1HG2      ILE  19   1.267  12.952  -2.669
  137   2HG2  ILE  19          2HG2      ILE  19   2.990  12.587  -2.593
  138   3HG2  ILE  19          3HG2      ILE  19   1.814  11.408  -1.971
  139   1HD1  ILE  19          1HD1      ILE  19   0.973  11.265   1.348
  140   2HD1  ILE  19          2HD1      ILE  19  -0.714  11.667   0.971
  141   3HD1  ILE  19          3HD1      ILE  19   0.314  10.921  -0.275
  142    H    ALA  20           H        ALA  20   5.036  14.129  -0.701
  143    HA   ALA  20           HA       ALA  20   6.170  12.769  -2.928
  144   1HB   ALA  20          1HB       ALA  20   8.313  14.209  -2.337
  145   2HB   ALA  20          2HB       ALA  20   6.798  15.020  -2.779
  146   3HB   ALA  20          3HB       ALA  20   7.287  14.919  -1.069
  147    H    GLU  21           H        GLU  21   6.949  12.459   0.505
  148    HA   GLU  21           HA       GLU  21   9.461  10.954   0.249
  149   1HB   GLU  21          1HB       GLU  21   7.636  10.846   2.698
  150   2HB   GLU  21          2HB       GLU  21   8.567  12.276   2.301
  151   1HG   GLU  21          1HG       GLU  21   9.893   9.518   2.675
  152   2HG   GLU  21          2HG       GLU  21   9.582  10.602   4.020
  153    H    PHE  22           H        PHE  22   6.070  10.018   0.772
  154    HA   PHE  22           HA       PHE  22   6.441   7.148   1.148
  155   1HB   PHE  22          1HB       PHE  22   3.994   8.701   0.126
  156   2HB   PHE  22          2HB       PHE  22   3.969   6.979   0.402
  157    HD1  PHE  22           HD1      PHE  22   4.563   6.150   2.863
  158    HD2  PHE  22           HD2      PHE  22   3.591  10.236   1.923
  159    HE1  PHE  22           HE1      PHE  22   4.029   6.577   5.225
  160    HE2  PHE  22           HE2      PHE  22   3.070  10.646   4.293
  161    HZ   PHE  22           HZ       PHE  22   3.293   8.824   5.948
  162    H    LYS  23           H        LYS  23   6.019   9.188  -1.704
  163    HA   LYS  23           HA       LYS  23   5.654   7.135  -3.766
  164   1HB   LYS  23          1HB       LYS  23   7.164   9.616  -4.564
  165   2HB   LYS  23          2HB       LYS  23   5.816   8.823  -5.350
  166   1HG   LYS  23          1HG       LYS  23   4.370   9.750  -3.329
  167   2HG   LYS  23          2HG       LYS  23   5.749  10.776  -2.988
  168   1HD   LYS  23          1HD       LYS  23   4.393  12.187  -4.327
  169   2HD   LYS  23          2HD       LYS  23   5.580  11.580  -5.470
  170   1HE   LYS  23          1HE       LYS  23   3.682   9.648  -5.865
  171   2HE   LYS  23          2HE       LYS  23   2.613  10.947  -5.331
  172   1HZ   LYS  23          1HZ       LYS  23   4.641  11.526  -7.403
  173   2HZ   LYS  23          2HZ       LYS  23   3.263  10.717  -7.824
  174   3HZ   LYS  23          3HZ       LYS  23   3.165  12.229  -7.165
  175    H    ALA  24           H        ALA  24   8.507   8.697  -2.337
  176    HA   ALA  24           HA       ALA  24  10.600   7.800  -4.107
  177   1HB   ALA  24          1HB       ALA  24  12.166   8.200  -2.217
  178   2HB   ALA  24          2HB       ALA  24  10.983   9.513  -2.359
  179   3HB   ALA  24          3HB       ALA  24  10.809   8.295  -1.070
  180    H    ALA  25           H        ALA  25   9.444   6.309  -1.064
  181    HA   ALA  25           HA       ALA  25  11.181   3.959  -1.103
  182   1HB   ALA  25          1HB       ALA  25   9.698   3.063   0.683
  183   2HB   ALA  25          2HB       ALA  25  10.106   4.763   0.980
  184   3HB   ALA  25          3HB       ALA  25   8.491   4.332   0.362
  185    H    PHE  26           H        PHE  26   8.005   4.641  -2.457
  186    HA   PHE  26           HA       PHE  26   7.151   1.903  -3.100
  187   1HB   PHE  26          1HB       PHE  26   6.259   4.383  -4.664
  188   2HB   PHE  26          2HB       PHE  26   5.745   4.135  -3.016
  189    HD1  PHE  26           HD1      PHE  26   3.701   2.944  -2.676
  190    HD2  PHE  26           HD2      PHE  26   5.934   2.156  -6.268
  191    HE1  PHE  26           HE1      PHE  26   1.841   1.588  -3.548
  192    HE2  PHE  26           HE2      PHE  26   4.065   0.801  -7.122
  193    HZ   PHE  26           HZ       PHE  26   2.038   0.477  -5.747
  194    H    ASP  27           H        ASP  27   9.119   4.339  -4.713
  195    HA   ASP  27           HA       ASP  27   9.246   3.004  -7.361
  196   1HB   ASP  27          1HB       ASP  27  11.134   5.195  -6.328
  197   2HB   ASP  27          2HB       ASP  27  10.932   4.682  -7.988
  198    H    MET  28           H        MET  28  11.087   2.900  -4.390
  199    HA   MET  28           HA       MET  28  13.661   1.953  -5.134
  200   1HB   MET  28          1HB       MET  28  13.564   0.491  -2.949
  201   2HB   MET  28          2HB       MET  28  11.971   1.184  -2.707
  202   1HG   MET  28          1HG       MET  28  13.127   3.543  -2.908
  203   2HG   MET  28          2HG       MET  28  13.386   2.601  -1.431
  204   1HE   MET  28          1HE       MET  28  16.991   1.226  -1.678
  205   2HE   MET  28          2HE       MET  28  15.903   2.043  -0.518
  206   3HE   MET  28          3HE       MET  28  15.320   0.627  -1.439
  207    H    PHE  29           H        PHE  29  10.630   0.123  -4.896
  208    HA   PHE  29           HA       PHE  29  11.961  -2.469  -5.807
  209   1HB   PHE  29          1HB       PHE  29   9.611  -3.470  -5.452
  210   2HB   PHE  29          2HB       PHE  29   9.093  -1.926  -4.832
  211    HD1  PHE  29           HD1      PHE  29  10.961  -0.930  -2.936
  212    HD2  PHE  29           HD2      PHE  29  10.038  -5.060  -3.727
  213    HE1  PHE  29           HE1      PHE  29  11.690  -1.541  -0.666
  214    HE2  PHE  29           HE2      PHE  29  10.776  -5.648  -1.455
  215    HZ   PHE  29           HZ       PHE  29  11.596  -3.896   0.078
  216    H    ASP  30           H        ASP  30   9.604  -0.012  -6.751
  217    HA   ASP  30           HA       ASP  30   9.073  -1.322  -9.430
  218   1HB   ASP  30          1HB       ASP  30   7.277  -0.092  -7.895
  219   2HB   ASP  30          2HB       ASP  30   7.895   1.370  -8.628
  220    H    ALA  31           H        ALA  31  11.172  -1.149 -10.258
  221    HA   ALA  31           HA       ALA  31  12.484   1.537 -10.682
  222   1HB   ALA  31          1HB       ALA  31  14.362   0.203 -11.649
  223   2HB   ALA  31          2HB       ALA  31  13.885  -0.404 -10.051
  224   3HB   ALA  31          3HB       ALA  31  13.409  -1.294 -11.521
  225    H    ASP  32           H        ASP  32   9.857   0.658 -12.014
  226    HA   ASP  32           HA       ASP  32  10.620   1.117 -14.936
  227   1HB   ASP  32          1HB       ASP  32   8.284  -0.286 -13.653
  228   2HB   ASP  32          2HB       ASP  32   7.908   0.676 -15.063
  229    H    GLY  33           H        GLY  33   8.399   2.206 -12.359
  230   1HA   GLY  33          1HA       GLY  33   7.145   4.497 -13.626
  231   2HA   GLY  33          2HA       GLY  33   8.695   5.076 -13.010
  232    H    GLY  34           H        GLY  34   5.855   3.179 -11.972
  233   1HA   GLY  34          1HA       GLY  34   5.835   4.621  -9.270
  234   2HA   GLY  34          2HA       GLY  34   5.874   2.855  -9.271
  235    H    GLY  35           H        GLY  35   4.076   1.711  -9.610
  236   1HA   GLY  35          1HA       GLY  35   1.405   3.178  -9.839
  237   2HA   GLY  35          2HA       GLY  35   1.747   1.941 -11.052
  238    H    ASP  36           H        ASP  36   2.983  -0.025  -9.701
  239    HA   ASP  36           HA       ASP  36   1.395  -0.877  -7.276
  240   1HB   ASP  36          1HB       ASP  36   0.375  -2.864  -8.279
  241   2HB   ASP  36          2HB       ASP  36  -0.214  -1.406  -9.043
  242    H    ILE  37           H        ILE  37   2.279  -2.658  -6.252
  243    HA   ILE  37           HA       ILE  37   4.854  -3.908  -7.315
  244    HB   ILE  37           HB       ILE  37   6.056  -3.578  -5.194
  245   1HG1  ILE  37          1HG1      ILE  37   4.532  -1.247  -4.157
  246   2HG1  ILE  37          2HG1      ILE  37   3.559  -2.700  -4.087
  247   1HG2  ILE  37          1HG2      ILE  37   6.755  -1.214  -5.597
  248   2HG2  ILE  37          2HG2      ILE  37   6.464  -2.035  -7.137
  249   3HG2  ILE  37          3HG2      ILE  37   5.259  -0.887  -6.505
  250   1HD1  ILE  37          1HD1      ILE  37   6.308  -2.400  -2.747
  251   2HD1  ILE  37          2HD1      ILE  37   4.716  -2.466  -1.962
  252   3HD1  ILE  37          3HD1      ILE  37   5.355  -3.908  -2.786
  253    H    SER  38           H        SER  38   5.398  -5.837  -6.056
  254    HA   SER  38           HA       SER  38   3.207  -7.716  -5.735
  255   1HB   SER  38          1HB       SER  38   5.625  -8.383  -4.134
  256   2HB   SER  38          2HB       SER  38   5.992  -7.906  -5.793
  257    HG   SER  38           HG       SER  38   3.835  -9.636  -5.332
  258    H    THR  39           H        THR  39   2.124  -8.467  -3.982
  259    HA   THR  39           HA       THR  39   1.705  -6.622  -1.671
  260    HB   THR  39           HB       THR  39  -0.323  -7.480  -2.317
  261    HG1  THR  39           HG1      THR  39  -1.008  -8.727  -0.662
  262   1HG2  THR  39          1HG2      THR  39  -0.919  -9.801  -2.855
  263   2HG2  THR  39          2HG2      THR  39   0.462  -9.320  -3.867
  264   3HG2  THR  39          3HG2      THR  39   0.714 -10.379  -2.455
  265    H    LYS  40           H        LYS  40   3.334  -9.671  -2.308
  266    HA   LYS  40           HA       LYS  40   3.761 -10.600   0.434
  267   1HB   LYS  40          1HB       LYS  40   4.443 -11.532  -2.172
  268   2HB   LYS  40          2HB       LYS  40   5.993 -11.305  -1.389
  269   1HG   LYS  40          1HG       LYS  40   5.129 -12.748   0.563
  270   2HG   LYS  40          2HG       LYS  40   3.672 -13.049  -0.363
  271   1HD   LYS  40          1HD       LYS  40   6.358 -14.308  -0.610
  272   2HD   LYS  40          2HD       LYS  40   4.773 -14.910  -1.069
  273   1HE   LYS  40          1HE       LYS  40   5.647 -14.777  -3.199
  274   2HE   LYS  40          2HE       LYS  40   5.038 -13.123  -3.114
  275   1HZ   LYS  40          1HZ       LYS  40   7.467 -13.538  -3.816
  276   2HZ   LYS  40          2HZ       LYS  40   7.179 -12.300  -2.761
  277   3HZ   LYS  40          3HZ       LYS  40   7.793 -13.730  -2.207
  278    H    GLU  41           H        GLU  41   5.466  -8.354  -1.679
  279    HA   GLU  41           HA       GLU  41   7.806  -8.010   0.189
  280   1HB   GLU  41          1HB       GLU  41   7.301  -6.428  -2.377
  281   2HB   GLU  41          2HB       GLU  41   8.809  -6.602  -1.502
  282   1HG   GLU  41          1HG       GLU  41   8.772  -9.123  -2.072
  283   2HG   GLU  41          2HG       GLU  41   7.347  -8.831  -3.055
  284    H    LEU  42           H        LEU  42   4.909  -6.297  -0.858
  285    HA   LEU  42           HA       LEU  42   5.103  -3.667  -0.034
  286   1HB   LEU  42          1HB       LEU  42   2.828  -5.648   0.120
  287   2HB   LEU  42          2HB       LEU  42   2.997  -4.206  -0.857
  288    HG   LEU  42           HG       LEU  42   2.829  -3.431   1.980
  289   1HD1  LEU  42          1HD1      LEU  42   0.407  -5.065   0.995
  290   2HD1  LEU  42          2HD1      LEU  42   1.594  -5.674   2.159
  291   3HD1  LEU  42          3HD1      LEU  42   0.594  -4.259   2.573
  292   1HD2  LEU  42          1HD2      LEU  42   0.999  -1.978   1.185
  293   2HD2  LEU  42          2HD2      LEU  42   2.288  -1.965  -0.044
  294   3HD2  LEU  42          3HD2      LEU  42   0.825  -2.928  -0.313
  295    H    GLY  43           H        GLY  43   4.627  -6.460   2.115
  296   1HA   GLY  43          1HA       GLY  43   4.489  -5.251   4.747
  297   2HA   GLY  43          2HA       GLY  43   5.235  -6.819   4.422
  298    H    THR  44           H        THR  44   7.442  -6.685   3.333
  299    HA   THR  44           HA       THR  44   9.449  -5.746   4.979
  300    HB   THR  44           HB       THR  44   9.516  -6.201   1.986
  301    HG1  THR  44           HG1      THR  44  10.155  -7.488   4.334
  302   1HG2  THR  44          1HG2      THR  44  12.010  -6.036   1.992
  303   2HG2  THR  44          2HG2      THR  44  11.262  -4.449   2.269
  304   3HG2  THR  44          3HG2      THR  44  11.975  -5.346   3.634
  305    H    VAL  45           H        VAL  45   7.672  -3.854   2.630
  306    HA   VAL  45           HA       VAL  45   9.427  -1.533   2.384
  307    HB   VAL  45           HB       VAL  45   6.387  -1.463   2.051
  308   1HG1  VAL  45          1HG1      VAL  45   6.830   0.387   0.437
  309   2HG1  VAL  45          2HG1      VAL  45   7.451   0.807   2.038
  310   3HG1  VAL  45          3HG1      VAL  45   8.580   0.292   0.765
  311   1HG2  VAL  45          1HG2      VAL  45   8.478  -2.224  -0.096
  312   2HG2  VAL  45          2HG2      VAL  45   7.269  -3.320   0.612
  313   3HG2  VAL  45          3HG2      VAL  45   6.738  -1.953  -0.378
  314    H    MET  46           H        MET  46   6.460  -2.013   4.339
  315    HA   MET  46           HA       MET  46   6.497   0.478   5.807
  316   1HB   MET  46          1HB       MET  46   4.548  -1.160   5.701
  317   2HB   MET  46          2HB       MET  46   4.845  -0.411   7.259
  318   1HG   MET  46          1HG       MET  46   6.281  -2.710   7.678
  319   2HG   MET  46          2HG       MET  46   5.151  -3.315   6.456
  320   1HE   MET  46          1HE       MET  46   2.155  -4.179   8.078
  321   2HE   MET  46          2HE       MET  46   3.558  -4.549   7.033
  322   3HE   MET  46          3HE       MET  46   3.588  -5.011   8.760
  323    NH1  ARG  47           NH1      ARG  47  13.820  -6.837   8.791
  324    NH2  ARG  47           NH2      ARG  47  15.264  -5.741  10.160
  325    H    ARG  47           H        ARG  47   8.164  -2.579   6.342
  326    HA   ARG  47           HA       ARG  47   9.075  -2.086   9.122
  327   1HB   ARG  47          1HB       ARG  47   8.859  -4.391   8.096
  328   2HB   ARG  47          2HB       ARG  47  10.211  -4.030   7.033
  329   1HG   ARG  47          1HG       ARG  47  10.743  -3.642   9.986
  330   2HG   ARG  47          2HG       ARG  47  10.496  -5.304   9.446
  331   1HD   ARG  47          1HD       ARG  47  12.310  -5.056   7.720
  332   2HD   ARG  47          2HD       ARG  47  12.542  -3.368   8.169
  333    HE   ARG  47           HE       ARG  47  13.217  -4.291  10.543
  334   1HH1  ARG  47          1HH1      ARG  47  15.910  -6.515   9.968
  335   2HH1  ARG  47          2HH1      ARG  47  15.426  -4.947  10.789
  336   1HH2  ARG  47          1HH2      ARG  47  12.965  -6.798   8.227
  337   2HH2  ARG  47          2HH2      ARG  47  14.481  -7.620   8.852
  338    H    MET  48           H        MET  48  10.395  -1.518   5.895
  339    HA   MET  48           HA       MET  48  13.069  -0.553   6.912
  340   1HB   MET  48          1HB       MET  48  12.670  -1.897   4.702
  341   2HB   MET  48          2HB       MET  48  12.088  -0.390   4.014
  342   1HG   MET  48          1HG       MET  48  14.874  -0.554   5.314
  343   2HG   MET  48          2HG       MET  48  14.255   0.691   4.217
  344   1HE   MET  48          1HE       MET  48  15.588   0.914   2.532
  345   2HE   MET  48          2HE       MET  48  16.909  -0.289   2.452
  346   3HE   MET  48          3HE       MET  48  15.732  -0.168   1.111
  347    H    LEU  49           H        LEU  49  10.230   0.808   7.260
  348    HA   LEU  49           HA       LEU  49  11.083   3.644   6.466
  349   1HB   LEU  49          1HB       LEU  49   8.337   2.424   7.080
  350   2HB   LEU  49          2HB       LEU  49   8.599   4.153   7.151
  351    HG   LEU  49           HG       LEU  49   9.305   2.565   4.616
  352   1HD1  LEU  49          1HD1      LEU  49   7.027   3.051   3.710
  353   2HD1  LEU  49          2HD1      LEU  49   6.921   2.017   5.146
  354   3HD1  LEU  49          3HD1      LEU  49   6.524   3.749   5.270
  355   1HD2  LEU  49          1HD2      LEU  49   8.528   5.532   5.030
  356   2HD2  LEU  49          2HD2      LEU  49  10.161   4.913   4.682
  357   3HD2  LEU  49          3HD2      LEU  49   8.887   4.761   3.464
  358    H    GLY  50           H        GLY  50  10.085   1.482   9.071
  359   1HA   GLY  50          1HA       GLY  50  11.675   2.150  11.219
  360   2HA   GLY  50          2HA       GLY  50  10.640   3.583  11.206
  361    H    GLN  51           H        GLN  51  10.091   0.082  10.771
  362    HA   GLN  51           HA       GLN  51   8.139   0.033  13.130
  363   1HB   GLN  51          1HB       GLN  51   7.480  -1.083  10.338
  364   2HB   GLN  51          2HB       GLN  51   6.547  -1.379  11.794
  365   1HG   GLN  51          1HG       GLN  51   6.933   1.532  11.364
  366   2HG   GLN  51          2HG       GLN  51   6.223   0.773   9.954
  367   1HE2  GLN  51          1HE2      GLN  51   3.424   1.763  12.306
  368   2HE2  GLN  51          2HE2      GLN  51   4.845   2.633  11.536
  369    H    ASN  52           H        ASN  52   7.790  -2.126  13.915
  370    HA   ASN  52           HA       ASN  52  10.045  -4.074  13.279
  371   1HB   ASN  52          1HB       ASN  52  10.435  -2.560  15.341
  372   2HB   ASN  52          2HB       ASN  52   9.172  -3.456  16.157
  373   1HD2  ASN  52          1HD2      ASN  52  12.832  -5.302  15.307
  374   2HD2  ASN  52          2HD2      ASN  52  12.276  -3.820  14.380
  375    HA   PRO  53           HA       PRO  53   5.621  -6.065  14.033
  376   1HB   PRO  53          1HB       PRO  53   4.750  -6.666  11.492
  377   2HB   PRO  53          2HB       PRO  53   4.546  -5.080  12.252
  378   1HG   PRO  53          1HG       PRO  53   6.701  -5.921  10.251
  379   2HG   PRO  53          2HG       PRO  53   5.697  -4.453  10.225
  380   1HD   PRO  53          1HD       PRO  53   8.292  -4.504  11.249
  381   2HD   PRO  53          2HD       PRO  53   7.048  -3.383  11.882
  382    H    THR  54           H        THR  54   4.923  -8.346  13.208
  383    HA   THR  54           HA       THR  54   7.369 -10.167  13.081
  384    HB   THR  54           HB       THR  54   6.412 -11.640  14.463
  385    HG1  THR  54           HG1      THR  54   4.064 -11.989  14.395
  386   1HG2  THR  54          1HG2      THR  54   4.781 -10.785  16.115
  387   2HG2  THR  54          2HG2      THR  54   5.986  -9.527  15.756
  388   3HG2  THR  54          3HG2      THR  54   4.352  -9.423  15.053
  389    H    LYS  55           H        LYS  55   6.804 -12.326  11.969
  390    HA   LYS  55           HA       LYS  55   6.140 -11.750   9.108
  391   1HB   LYS  55          1HB       LYS  55   6.553 -14.601  10.036
  392   2HB   LYS  55          2HB       LYS  55   7.092 -13.818   8.566
  393   1HG   LYS  55          1HG       LYS  55   8.649 -12.439  10.350
  394   2HG   LYS  55          2HG       LYS  55   8.384 -13.880  11.311
  395   1HD   LYS  55          1HD       LYS  55   9.579 -15.297   9.792
  396   2HD   LYS  55          2HD       LYS  55   9.296 -14.225   8.430
  397   1HE   LYS  55          1HE       LYS  55  11.031 -12.706   9.027
  398   2HE   LYS  55          2HE       LYS  55  11.065 -13.213  10.717
  399   1HZ   LYS  55          1HZ       LYS  55  11.833 -15.471   9.716
  400   2HZ   LYS  55          2HZ       LYS  55  12.189 -14.598   8.359
  401   3HZ   LYS  55          3HZ       LYS  55  12.918 -14.228   9.794
  402    H    GLU  56           H        GLU  56   4.726 -13.451  11.860
  403    HA   GLU  56           HA       GLU  56   2.576 -14.865  10.458
  404   1HB   GLU  56          1HB       GLU  56   3.570 -15.129  12.934
  405   2HB   GLU  56          2HB       GLU  56   1.998 -15.737  12.457
  406   1HG   GLU  56          1HG       GLU  56   0.838 -13.846  13.536
  407   2HG   GLU  56          2HG       GLU  56   2.343 -12.977  13.783
  408    H    GLU  57           H        GLU  57   2.868 -11.669  11.922
  409    HA   GLU  57           HA       GLU  57   0.000 -10.908  11.824
  410   1HB   GLU  57          1HB       GLU  57   2.403  -9.015  11.971
  411   2HB   GLU  57          2HB       GLU  57   0.732  -8.613  12.312
  412   1HG   GLU  57          1HG       GLU  57   2.276 -10.727  13.943
  413   2HG   GLU  57          2HG       GLU  57   0.716 -10.025  14.339
  414    H    LEU  58           H        LEU  58   2.828 -10.502   9.724
  415    HA   LEU  58           HA       LEU  58   1.639  -8.775   7.662
  416   1HB   LEU  58          1HB       LEU  58   4.126  -9.210   7.968
  417   2HB   LEU  58          2HB       LEU  58   3.906 -10.826   7.332
  418    HG   LEU  58           HG       LEU  58   4.604  -8.569   5.847
  419   1HD1  LEU  58          1HD1      LEU  58   4.275 -10.026   3.823
  420   2HD1  LEU  58          2HD1      LEU  58   5.034 -10.921   5.147
  421   3HD1  LEU  58          3HD1      LEU  58   3.307 -11.168   4.790
  422   1HD2  LEU  58          1HD2      LEU  58   1.624  -9.105   5.215
  423   2HD2  LEU  58          2HD2      LEU  58   2.286  -7.613   5.928
  424   3HD2  LEU  58          3HD2      LEU  58   2.726  -8.070   4.272
  425    H    ASP  59           H        ASP  59   1.724 -12.248   8.247
  426    HA   ASP  59           HA       ASP  59   0.508 -13.154   5.731
  427   1HB   ASP  59          1HB       ASP  59   0.358 -14.655   8.404
  428   2HB   ASP  59          2HB       ASP  59   1.798 -14.613   7.412
  429    H    ALA  60           H        ALA  60  -0.757 -11.987   8.797
  430    HA   ALA  60           HA       ALA  60  -3.565 -12.786   8.483
  431   1HB   ALA  60          1HB       ALA  60  -4.021 -11.189  10.338
  432   2HB   ALA  60          2HB       ALA  60  -2.615 -12.211  10.693
  433   3HB   ALA  60          3HB       ALA  60  -2.380 -10.514  10.203
  434    H    ILE  61           H        ILE  61  -2.210  -9.470   8.375
  435    HA   ILE  61           HA       ILE  61  -4.345  -8.067   7.184
  436    HB   ILE  61           HB       ILE  61  -1.370  -7.542   7.155
  437   1HG1  ILE  61          1HG1      ILE  61  -3.828  -6.283   8.463
  438   2HG1  ILE  61          2HG1      ILE  61  -2.467  -5.240   8.111
  439   1HG2  ILE  61          1HG2      ILE  61  -1.664  -5.409   5.870
  440   2HG2  ILE  61          2HG2      ILE  61  -2.067  -6.800   4.866
  441   3HG2  ILE  61          3HG2      ILE  61  -3.372  -5.810   5.560
  442   1HD1  ILE  61          1HD1      ILE  61  -0.924  -6.571   9.523
  443   2HD1  ILE  61          2HD1      ILE  61  -2.370  -6.099  10.442
  444   3HD1  ILE  61          3HD1      ILE  61  -2.212  -7.766   9.842
  445    H    ILE  62           H        ILE  62  -1.859 -10.102   5.736
  446    HA   ILE  62           HA       ILE  62  -2.218  -9.421   2.900
  447    HB   ILE  62           HB       ILE  62  -0.870 -11.671   4.374
  448   1HG1  ILE  62          1HG1      ILE  62   0.141 -10.032   1.962
  449   2HG1  ILE  62          2HG1      ILE  62   0.260  -9.441   3.606
  450   1HG2  ILE  62          1HG2      ILE  62  -0.441 -12.995   2.287
  451   2HG2  ILE  62          2HG2      ILE  62  -2.166 -12.958   2.646
  452   3HG2  ILE  62          3HG2      ILE  62  -1.514 -11.918   1.360
  453   1HD1  ILE  62          1HD1      ILE  62   1.658 -11.982   2.580
  454   2HD1  ILE  62          2HD1      ILE  62   2.400 -10.424   3.002
  455   3HD1  ILE  62          3HD1      ILE  62   1.669 -11.427   4.277
  456    H    GLU  63           H        GLU  63  -3.582 -11.985   4.972
  457    HA   GLU  63           HA       GLU  63  -5.305 -13.257   3.005
  458   1HB   GLU  63          1HB       GLU  63  -4.643 -14.005   5.454
  459   2HB   GLU  63          2HB       GLU  63  -6.091 -13.149   5.943
  460   1HG   GLU  63          1HG       GLU  63  -7.552 -14.667   4.776
  461   2HG   GLU  63          2HG       GLU  63  -6.278 -15.247   3.717
  462    H    GLU  64           H        GLU  64  -5.704 -10.399   5.013
  463    HA   GLU  64           HA       GLU  64  -8.614 -10.071   4.827
  464   1HB   GLU  64          1HB       GLU  64  -7.675  -8.898   6.603
  465   2HB   GLU  64          2HB       GLU  64  -6.335  -8.268   5.666
  466   1HG   GLU  64          1HG       GLU  64  -9.111  -7.283   4.898
  467   2HG   GLU  64          2HG       GLU  64  -7.573  -6.440   4.830
  468    H    VAL  65           H        VAL  65  -5.880  -8.829   2.925
  469    HA   VAL  65           HA       VAL  65  -7.543  -7.091   1.157
  470    HB   VAL  65           HB       VAL  65  -5.214  -6.472   1.716
  471   1HG1  VAL  65          1HG1      VAL  65  -3.249  -7.568   0.623
  472   2HG1  VAL  65          2HG1      VAL  65  -4.097  -8.708   1.686
  473   3HG1  VAL  65          3HG1      VAL  65  -4.303  -8.822  -0.078
  474   1HG2  VAL  65          1HG2      VAL  65  -5.642  -6.818  -1.332
  475   2HG2  VAL  65          2HG2      VAL  65  -6.211  -5.455  -0.337
  476   3HG2  VAL  65          3HG2      VAL  65  -4.475  -5.714  -0.562
  477    H    ASP  66           H        ASP  66  -6.234 -10.360   1.124
  478    HA   ASP  66           HA       ASP  66  -7.059 -10.810  -1.774
  479   1HB   ASP  66          1HB       ASP  66  -4.700 -11.489  -0.814
  480   2HB   ASP  66          2HB       ASP  66  -5.530 -12.845  -0.088
  481    H    GLU  67           H        GLU  67  -8.993 -10.437   0.266
  482    HA   GLU  67           HA       GLU  67 -10.355 -12.711   1.343
  483   1HB   GLU  67          1HB       GLU  67 -12.284 -11.473   1.499
  484   2HB   GLU  67          2HB       GLU  67 -11.077 -10.208   1.388
  485   1HG   GLU  67          1HG       GLU  67 -11.765  -9.526  -0.780
  486   2HG   GLU  67          2HG       GLU  67 -12.398 -11.106  -1.209
  487    H    ASP  68           H        ASP  68 -10.339 -11.492  -1.998
  488    HA   ASP  68           HA       ASP  68 -11.504 -14.140  -2.993
  489   1HB   ASP  68          1HB       ASP  68 -11.766 -12.676  -5.224
  490   2HB   ASP  68          2HB       ASP  68 -11.687 -11.323  -4.120
  491    H    GLY  69           H        GLY  69  -9.691 -11.761  -4.869
  492   1HA   GLY  69          1HA       GLY  69  -7.963 -13.576  -6.302
  493   2HA   GLY  69          2HA       GLY  69  -7.078 -13.179  -4.825
  494    H    SER  70           H        SER  70  -6.535 -11.007  -4.376
  495    HA   SER  70           HA       SER  70  -6.806  -8.820  -6.419
  496   1HB   SER  70          1HB       SER  70  -5.493  -9.039  -3.686
  497   2HB   SER  70          2HB       SER  70  -6.782  -7.965  -4.235
  498    HG   SER  70           HG       SER  70  -5.342  -6.761  -5.332
  499    H    GLY  71           H        GLY  71  -3.800  -9.827  -4.822
  500   1HA   GLY  71          1HA       GLY  71  -2.488 -10.673  -7.440
  501   2HA   GLY  71          2HA       GLY  71  -1.822 -10.935  -5.825
  502    H    THR  72           H        THR  72  -3.169  -7.865  -6.869
  503    HA   THR  72           HA       THR  72  -0.379  -6.632  -6.944
  504    HB   THR  72           HB       THR  72  -0.899  -6.434  -9.145
  505    HG1  THR  72           HG1      THR  72  -2.062  -4.175  -9.151
  506   1HG2  THR  72          1HG2      THR  72  -2.945  -6.166 -10.286
  507   2HG2  THR  72          2HG2      THR  72  -3.431  -7.201  -8.926
  508   3HG2  THR  72          3HG2      THR  72  -3.785  -5.454  -8.890
  509    H    ILE  73           H        ILE  73   0.003  -4.974  -5.659
  510    HA   ILE  73           HA       ILE  73  -2.291  -3.693  -4.124
  511    HB   ILE  73           HB       ILE  73   0.446  -4.495  -3.248
  512   1HG1  ILE  73          1HG1      ILE  73  -0.631  -5.457  -1.446
  513   2HG1  ILE  73          2HG1      ILE  73  -1.917  -5.503  -2.638
  514   1HG2  ILE  73          1HG2      ILE  73   0.686  -2.853  -1.423
  515   2HG2  ILE  73          2HG2      ILE  73   0.644  -1.989  -2.967
  516   3HG2  ILE  73          3HG2      ILE  73  -0.794  -2.000  -1.918
  517   1HD1  ILE  73          1HD1      ILE  73  -1.806  -3.129  -0.701
  518   2HD1  ILE  73          2HD1      ILE  73  -3.187  -3.780  -1.609
  519   3HD1  ILE  73          3HD1      ILE  73  -2.535  -4.687  -0.224
  520    H    ASP  74           H        ASP  74  -2.616  -1.571  -4.248
  521    HA   ASP  74           HA       ASP  74  -0.938   0.016  -6.249
  522   1HB   ASP  74          1HB       ASP  74  -3.142   1.550  -6.146
  523   2HB   ASP  74          2HB       ASP  74  -2.975   0.189  -7.230
  524    H    PHE  75           H        PHE  75  -1.206   2.484  -5.794
  525    HA   PHE  75           HA       PHE  75   0.301   3.006  -3.288
  526   1HB   PHE  75          1HB       PHE  75  -0.763   5.201  -5.131
  527   2HB   PHE  75          2HB       PHE  75   0.516   4.152  -5.682
  528    HD1  PHE  75           HD1      PHE  75   2.821   4.509  -4.895
  529    HD2  PHE  75           HD2      PHE  75  -0.407   6.579  -2.941
  530    HE1  PHE  75           HE1      PHE  75   4.427   6.065  -3.866
  531    HE2  PHE  75           HE2      PHE  75   1.221   8.092  -1.880
  532    HZ   PHE  75           HZ       PHE  75   3.635   7.832  -2.329
  533    H    GLU  76           H        GLU  76  -3.000   3.384  -4.425
  534    HA   GLU  76           HA       GLU  76  -3.964   5.296  -2.406
  535   1HB   GLU  76          1HB       GLU  76  -5.008   4.303  -4.756
  536   2HB   GLU  76          2HB       GLU  76  -5.837   5.335  -3.608
  537   1HG   GLU  76          1HG       GLU  76  -6.625   3.049  -2.466
  538   2HG   GLU  76          2HG       GLU  76  -6.119   2.303  -3.972
  539    H    GLU  77           H        GLU  77  -4.705   1.818  -2.789
  540    HA   GLU  77           HA       GLU  77  -5.717   1.249  -0.118
  541   1HB   GLU  77          1HB       GLU  77  -4.126  -0.858  -1.618
  542   2HB   GLU  77          2HB       GLU  77  -5.623  -0.265  -2.309
  543   1HG   GLU  77          1HG       GLU  77  -5.930  -2.376  -0.977
  544   2HG   GLU  77          2HG       GLU  77  -5.342  -1.577   0.471
  545    H    PHE  78           H        PHE  78  -2.472   1.603  -1.407
  546    HA   PHE  78           HA       PHE  78  -0.912   0.350   0.700
  547   1HB   PHE  78          1HB       PHE  78  -0.279   2.426  -1.433
  548   2HB   PHE  78          2HB       PHE  78   0.265   0.774  -1.307
  549    HD1  PHE  78           HD1      PHE  78   2.005   0.234   0.632
  550    HD2  PHE  78           HD2      PHE  78   1.064   4.245  -0.610
  551    HE1  PHE  78           HE1      PHE  78   4.061   1.060   1.705
  552    HE2  PHE  78           HE2      PHE  78   3.128   5.051   0.461
  553    HZ   PHE  78           HZ       PHE  78   4.611   3.469   1.646
  554    H    LEU  79           H        LEU  79  -2.021   3.707   0.254
  555    HA   LEU  79           HA       LEU  79  -0.864   4.824   2.754
  556   1HB   LEU  79          1HB       LEU  79  -2.530   6.728   2.339
  557   2HB   LEU  79          2HB       LEU  79  -3.128   5.851   0.947
  558    HG   LEU  79           HG       LEU  79  -0.680   5.922   0.015
  559   1HD1  LEU  79          1HD1      LEU  79  -1.007   8.211  -0.933
  560   2HD1  LEU  79          2HD1      LEU  79  -2.537   7.315  -0.926
  561   3HD1  LEU  79          3HD1      LEU  79  -2.242   8.575   0.299
  562   1HD2  LEU  79          1HD2      LEU  79  -0.390   8.099   2.193
  563   2HD2  LEU  79          2HD2      LEU  79   0.531   6.578   2.098
  564   3HD2  LEU  79          3HD2      LEU  79   0.750   7.815   0.852
  565    H    VAL  80           H        VAL  80  -3.821   3.178   1.820
  566    HA   VAL  80           HA       VAL  80  -5.505   3.892   4.106
  567    HB   VAL  80           HB       VAL  80  -5.697   1.858   1.907
  568   1HG1  VAL  80          1HG1      VAL  80  -7.856   3.740   3.045
  569   2HG1  VAL  80          2HG1      VAL  80  -6.697   4.240   1.806
  570   3HG1  VAL  80          3HG1      VAL  80  -7.840   2.922   1.461
  571   1HG2  VAL  80          1HG2      VAL  80  -7.632   0.666   2.828
  572   2HG2  VAL  80          2HG2      VAL  80  -6.300   0.474   3.992
  573   3HG2  VAL  80          3HG2      VAL  80  -7.599   1.629   4.326
  574    H    MET  81           H        MET  81  -3.113   1.374   3.509
  575    HA   MET  81           HA       MET  81  -3.775  -0.312   5.878
  576   1HB   MET  81          1HB       MET  81  -2.219  -1.834   5.119
  577   2HB   MET  81          2HB       MET  81  -2.614  -1.022   3.615
  578   1HG   MET  81          1HG       MET  81  -0.489  -0.092   3.370
  579   2HG   MET  81          2HG       MET  81  -0.258   0.154   5.108
  580   1HE   MET  81          1HE       MET  81  -1.782  -3.093   3.766
  581   2HE   MET  81          2HE       MET  81  -0.594  -3.048   2.430
  582   3HE   MET  81          3HE       MET  81  -0.437  -4.276   3.720
  583    H    MET  82           H        MET  82  -1.564   2.316   5.121
  584    HA   MET  82           HA       MET  82   0.236   2.008   7.453
  585   1HB   MET  82          1HB       MET  82   1.170   4.213   6.835
  586   2HB   MET  82          2HB       MET  82  -0.177   4.534   5.758
  587   1HG   MET  82          1HG       MET  82   0.903   2.044   4.814
  588   2HG   MET  82          2HG       MET  82   1.034   3.638   4.053
  589   1HE   MET  82          1HE       MET  82   2.628   0.831   4.601
  590   2HE   MET  82          2HE       MET  82   4.052   1.561   3.803
  591   3HE   MET  82          3HE       MET  82   4.172   0.995   5.494
  592    H    VAL  83           H        VAL  83  -2.508   4.144   6.675
  593    HA   VAL  83           HA       VAL  83  -2.571   5.691   9.146
  594    HB   VAL  83           HB       VAL  83  -4.943   5.078   7.307
  595   1HG1  VAL  83          1HG1      VAL  83  -3.130   7.570   7.227
  596   2HG1  VAL  83          2HG1      VAL  83  -2.921   6.186   6.145
  597   3HG1  VAL  83          3HG1      VAL  83  -4.429   7.127   6.090
  598   1HG2  VAL  83          1HG2      VAL  83  -6.054   7.060   8.203
  599   2HG2  VAL  83          2HG2      VAL  83  -5.588   6.071   9.606
  600   3HG2  VAL  83          3HG2      VAL  83  -4.638   7.504   9.190
  601    NH1  ARG  84           NH1      ARG  84  -9.615   0.676   9.885
  602    NH2  ARG  84           NH2      ARG  84  -9.094   2.406   8.509
  603    H    ARG  84           H        ARG  84  -3.892   2.553   8.225
  604    HA   ARG  84           HA       ARG  84  -5.707   2.050  10.505
  605   1HB   ARG  84          1HB       ARG  84  -4.209  -0.176   9.032
  606   2HB   ARG  84          2HB       ARG  84  -5.447   0.764   8.210
  607   1HG   ARG  84          1HG       ARG  84  -5.778  -1.385  10.216
  608   2HG   ARG  84          2HG       ARG  84  -6.691   0.053  10.677
  609   1HD   ARG  84          1HD       ARG  84  -6.894  -1.417   7.967
  610   2HD   ARG  84          2HD       ARG  84  -8.090  -1.464   9.261
  611    HE   ARG  84           HE       ARG  84  -7.787   0.708   7.273
  612   1HH1  ARG  84          1HH1      ARG  84 -10.286   1.323  10.314
  613   2HH1  ARG  84          2HH1      ARG  84  -9.455  -0.304  10.143
  614   1HH2  ARG  84          1HH2      ARG  84  -8.480   2.774   7.774
  615   2HH2  ARG  84          2HH2      ARG  84  -9.859   2.904   8.978
  616    H    GLN  85           H        GLN  85  -2.381   0.896   9.819
  617    HA   GLN  85           HA       GLN  85  -1.900  -0.579  12.255
  618   1HB   GLN  85          1HB       GLN  85   0.005   0.793  10.296
  619   2HB   GLN  85          2HB       GLN  85   0.620   0.069  11.771
  620   1HG   GLN  85          1HG       GLN  85  -1.072  -1.502   9.739
  621   2HG   GLN  85          2HG       GLN  85   0.675  -1.404   9.651
  622   1HE2  GLN  85          1HE2      GLN  85  -1.093  -3.802  12.540
  623   2HE2  GLN  85          2HE2      GLN  85  -2.061  -2.566  11.590
  624    H    MET  86           H        MET  86  -1.068   2.801  11.458
  625    HA   MET  86           HA       MET  86   0.343   3.611  13.809
  626   1HB   MET  86          1HB       MET  86  -1.602   5.533  12.435
  627   2HB   MET  86          2HB       MET  86  -0.169   4.955  11.606
  628   1HG   MET  86          1HG       MET  86   1.083   5.805  13.873
  629   2HG   MET  86          2HG       MET  86   0.728   6.888  12.518
  630   1HE   MET  86          1HE       MET  86  -0.453   7.320  16.761
  631   2HE   MET  86          2HE       MET  86   0.843   6.407  15.934
  632   3HE   MET  86          3HE       MET  86   0.848   8.195  15.894
  633    H    LYS  87           H        LYS  87  -3.127   3.311  13.252
  634    HA   LYS  87           HA       LYS  87  -4.157   4.578  15.681
  635   1HB   LYS  87          1HB       LYS  87  -5.377   3.468  13.481
  636   2HB   LYS  87          2HB       LYS  87  -5.654   2.169  14.622
  637   1HG   LYS  87          1HG       LYS  87  -6.666   5.047  14.711
  638   2HG   LYS  87          2HG       LYS  87  -6.553   4.149  16.211
  639   1HD   LYS  87          1HD       LYS  87  -7.997   2.730  13.947
  640   2HD   LYS  87          2HD       LYS  87  -8.298   2.704  15.677
  641   1HE   LYS  87          1HE       LYS  87 -10.103   4.025  15.219
  642   2HE   LYS  87          2HE       LYS  87  -8.949   5.358  15.151
  643   1HZ   LYS  87          1HZ       LYS  87  -8.940   5.291  12.821
  644   2HZ   LYS  87          2HZ       LYS  87  -9.532   3.751  12.725
  645   3HZ   LYS  87          3HZ       LYS  87 -10.525   4.991  13.180
  646    H    GLU  88           H        GLU  88  -3.492   1.133  14.945
  647    HA   GLU  88           HA       GLU  88  -4.003  -0.112  17.447
  648   1HB   GLU  88          1HB       GLU  88  -3.282  -1.247  15.276
  649   2HB   GLU  88          2HB       GLU  88  -1.620  -0.862  15.677
  650   1HG   GLU  88          1HG       GLU  88  -1.675  -3.001  16.560
  651   2HG   GLU  88          2HG       GLU  88  -2.224  -2.150  17.994
  652    H    ASP  89           H        ASP  89  -0.801   1.097  16.387
  653    HA   ASP  89           HA       ASP  89   0.981   2.187  17.581
  654   1HB   ASP  89          1HB       ASP  89  -0.768   2.356  20.083
  655   2HB   ASP  89          2HB       ASP  89  -1.055   3.409  18.717
  656    H    ALA  90           H        ALA  90   2.302   1.799  19.655
  657    HA   ALA  90           HA       ALA  90   3.005  -1.070  19.797
  658   1HB   ALA  90          1HB       ALA  90   4.550  -0.187  21.777
  659   2HB   ALA  90          2HB       ALA  90   4.902   0.331  20.117
  660   3HB   ALA  90          3HB       ALA  90   4.061   1.437  21.230
   
  Start of MODEL           3
 Raw file had  660 H/Q atoms
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1 -20.266   4.767  10.290
    2   2H    ALA   1          2H        ALA   1 -20.876   3.782   9.072
    3   3H    ALA   1          3H        ALA   1 -20.344   3.102  10.515
    4    HA   ALA   1           HA       ALA   1 -18.127   4.269   9.920
    5   1HB   ALA   1          1HB       ALA   1 -17.436   2.081   8.753
    6   2HB   ALA   1          2HB       ALA   1 -18.238   1.869  10.322
    7   3HB   ALA   1          3HB       ALA   1 -19.139   1.566   8.814
    8    H    SER   2           H        SER   2 -19.448   2.525   7.139
    9    HA   SER   2           HA       SER   2 -19.622   3.040   4.793
   10   1HB   SER   2          1HB       SER   2 -19.757   5.960   5.728
   11   2HB   SER   2          2HB       SER   2 -20.252   5.330   4.155
   12    HG   SER   2           HG       SER   2 -21.334   4.009   6.322
   13    H    MET   3           H        MET   3 -17.730   2.420   3.957
   14    HA   MET   3           HA       MET   3 -15.303   4.293   4.000
   15   1HB   MET   3          1HB       MET   3 -13.988   2.331   3.127
   16   2HB   MET   3          2HB       MET   3 -15.422   1.326   3.219
   17   1HG   MET   3          1HG       MET   3 -14.337   2.736   5.731
   18   2HG   MET   3          2HG       MET   3 -13.688   1.184   5.177
   19   1HE   MET   3          1HE       MET   3 -14.539   1.243   7.872
   20   2HE   MET   3          2HE       MET   3 -16.017   0.313   8.257
   21   3HE   MET   3          3HE       MET   3 -14.668  -0.477   7.389
   22    H    THR   4           H        THR   4 -17.584   4.981   2.559
   23    HA   THR   4           HA       THR   4 -17.754   4.366  -0.245
   24    HB   THR   4           HB       THR   4 -19.049   6.158   1.311
   25    HG1  THR   4           HG1      THR   4 -20.002   5.541  -0.446
   26   1HG2  THR   4          1HG2      THR   4 -18.783   8.463   0.473
   27   2HG2  THR   4          2HG2      THR   4 -17.279   7.962   1.279
   28   3HG2  THR   4          3HG2      THR   4 -17.366   8.014  -0.501
   29    H    ASP   5           H        ASP   5 -15.307   6.068   1.581
   30    HA   ASP   5           HA       ASP   5 -13.287   5.884  -0.566
   31   1HB   ASP   5          1HB       ASP   5 -14.805   8.461  -0.388
   32   2HB   ASP   5          2HB       ASP   5 -13.067   8.646  -0.356
   33    H    GLN   6           H        GLN   6 -12.867   4.766   1.579
   34    HA   GLN   6           HA       GLN   6 -12.070   6.352   3.974
   35   1HB   GLN   6          1HB       GLN   6 -11.571   4.295   5.044
   36   2HB   GLN   6          2HB       GLN   6 -12.967   3.973   4.031
   37   1HG   GLN   6          1HG       GLN   6 -10.069   3.178   3.366
   38   2HG   GLN   6          2HG       GLN   6 -11.415   2.941   2.271
   39   1HE2  GLN   6          1HE2      GLN   6 -11.681   0.713   5.789
   40   2HE2  GLN   6          2HE2      GLN   6 -11.122   2.460   5.839
   41    H    GLN   7           H        GLN   7 -10.457   4.813   1.233
   42    HA   GLN   7           HA       GLN   7  -7.667   5.044   1.922
   43   1HB   GLN   7          1HB       GLN   7  -8.692   5.622  -0.911
   44   2HB   GLN   7          2HB       GLN   7  -7.127   4.994  -0.426
   45   1HG   GLN   7          1HG       GLN   7  -7.853   2.823  -0.280
   46   2HG   GLN   7          2HG       GLN   7  -9.368   3.243   0.492
   47   1HE2  GLN   7          1HE2      GLN   7  -9.599   2.086  -3.288
   48   2HE2  GLN   7          2HE2      GLN   7  -8.512   1.520  -1.922
   49    H    ALA   8           H        ALA   8  -9.923   7.453   0.595
   50    HA   ALA   8           HA       ALA   8  -7.982   9.590   0.039
   51   1HB   ALA   8          1HB       ALA   8  -9.951   9.904  -1.149
   52   2HB   ALA   8          2HB       ALA   8 -11.007   9.423   0.193
   53   3HB   ALA   8          3HB       ALA   8 -10.249  11.036   0.191
   54    H    GLU   9           H        GLU   9  -9.872   8.635   2.855
   55    HA   GLU   9           HA       GLU   9  -9.596  11.068   4.500
   56   1HB   GLU   9          1HB       GLU   9 -10.001   8.228   5.565
   57   2HB   GLU   9          2HB       GLU   9 -10.331   9.731   6.402
   58   1HG   GLU   9          1HG       GLU   9 -12.229   8.226   5.057
   59   2HG   GLU   9          2HG       GLU   9 -11.809   9.360   3.784
   60    H    ALA  10           H        ALA  10  -7.646   8.185   3.941
   61    HA   ALA  10           HA       ALA  10  -5.783   8.364   6.172
   62   1HB   ALA  10          1HB       ALA  10  -4.327   6.840   4.847
   63   2HB   ALA  10          2HB       ALA  10  -6.019   6.307   4.812
   64   3HB   ALA  10          3HB       ALA  10  -5.312   7.115   3.390
   65    NH1  ARG  11           NH1      ARG  11  -4.735  14.224  -2.377
   66    NH2  ARG  11           NH2      ARG  11  -6.579  12.926  -2.096
   67    H    ARG  11           H        ARG  11  -5.637   9.642   2.851
   68    HA   ARG  11           HA       ARG  11  -2.945  10.888   3.029
   69   1HB   ARG  11          1HB       ARG  11  -3.914  10.265   0.833
   70   2HB   ARG  11          2HB       ARG  11  -5.260  11.370   1.073
   71   1HG   ARG  11          1HG       ARG  11  -3.923  13.335   0.807
   72   2HG   ARG  11          2HG       ARG  11  -2.409  12.481   1.109
   73   1HD   ARG  11          1HD       ARG  11  -2.631  13.000  -1.317
   74   2HD   ARG  11          2HD       ARG  11  -2.593  11.256  -1.066
   75    HE   ARG  11           HE       ARG  11  -4.886  11.106  -1.837
   76   1HH1  ARG  11          1HH1      ARG  11  -5.393  14.966  -2.641
   77   2HH1  ARG  11          2HH1      ARG  11  -3.711  14.283  -2.373
   78   1HH2  ARG  11          1HH2      ARG  11  -6.968  12.026  -1.796
   79   2HH2  ARG  11          2HH2      ARG  11  -7.101  13.730  -2.464
   80    H    ALA  12           H        ALA  12  -6.279  11.924   3.568
   81    HA   ALA  12           HA       ALA  12  -5.954  14.780   4.029
   82   1HB   ALA  12          1HB       ALA  12  -8.017  14.646   5.407
   83   2HB   ALA  12          2HB       ALA  12  -8.189  13.720   3.903
   84   3HB   ALA  12          3HB       ALA  12  -7.917  12.869   5.445
   85    H    PHE  13           H        PHE  13  -5.133  11.971   5.972
   86    HA   PHE  13           HA       PHE  13  -4.555  13.622   8.447
   87   1HB   PHE  13          1HB       PHE  13  -4.144  10.612   8.380
   88   2HB   PHE  13          2HB       PHE  13  -5.779  11.201   8.242
   89    HD1  PHE  13           HD1      PHE  13  -5.818  13.566  10.116
   90    HD2  PHE  13           HD2      PHE  13  -3.779   9.802  10.568
   91    HE1  PHE  13           HE1      PHE  13  -6.117  13.683  12.556
   92    HE2  PHE  13           HE2      PHE  13  -4.088   9.938  13.004
   93    HZ   PHE  13           HZ       PHE  13  -5.229  11.889  14.005
   94    H    LEU  14           H        LEU  14  -2.954  13.926   6.072
   95    HA   LEU  14           HA       LEU  14  -0.240  13.706   7.344
   96   1HB   LEU  14          1HB       LEU  14   0.865  12.625   5.383
   97   2HB   LEU  14          2HB       LEU  14  -0.684  12.391   4.600
   98    HG   LEU  14           HG       LEU  14  -1.395  10.843   6.493
   99   1HD1  LEU  14          1HD1      LEU  14   1.536  11.023   7.439
  100   2HD1  LEU  14          2HD1      LEU  14   0.173  11.799   8.265
  101   3HD1  LEU  14          3HD1      LEU  14   0.243  10.023   8.147
  102   1HD2  LEU  14          1HD2      LEU  14  -0.103   8.896   5.725
  103   2HD2  LEU  14          2HD2      LEU  14  -0.319   9.974   4.325
  104   3HD2  LEU  14          3HD2      LEU  14   1.237   9.929   5.166
  105    H    SER  15           H        SER  15   1.350  14.928   6.061
  106    HA   SER  15           HA       SER  15   0.200  17.458   4.939
  107   1HB   SER  15          1HB       SER  15   3.183  16.959   4.927
  108   2HB   SER  15          2HB       SER  15   2.276  18.428   5.296
  109    HG   SER  15           HG       SER  15   1.459  17.055   7.153
  110    H    GLU  16           H        GLU  16   0.916  18.350   2.903
  111    HA   GLU  16           HA       GLU  16   0.481  16.595   0.608
  112   1HB   GLU  16          1HB       GLU  16   0.157  19.221   0.895
  113   2HB   GLU  16          2HB       GLU  16   1.794  19.316   0.277
  114   1HG   GLU  16          1HG       GLU  16   1.117  18.153  -1.836
  115   2HG   GLU  16          2HG       GLU  16  -0.500  17.882  -1.209
  116    H    GLU  17           H        GLU  17   3.352  17.866   2.183
  117    HA   GLU  17           HA       GLU  17   5.290  17.054   0.051
  118   1HB   GLU  17          1HB       GLU  17   6.491  17.540   2.717
  119   2HB   GLU  17          2HB       GLU  17   6.888  18.209   1.147
  120   1HG   GLU  17          1HG       GLU  17   4.619  19.639   1.511
  121   2HG   GLU  17          2HG       GLU  17   4.867  19.228   3.199
  122    H    MET  18           H        MET  18   4.051  15.761   3.084
  123    HA   MET  18           HA       MET  18   5.926  13.568   3.526
  124   1HB   MET  18          1HB       MET  18   3.004  13.904   4.400
  125   2HB   MET  18          2HB       MET  18   4.452  14.244   5.331
  126   1HG   MET  18          1HG       MET  18   3.001  11.687   5.025
  127   2HG   MET  18          2HG       MET  18   4.718  11.479   4.647
  128   1HE   MET  18          1HE       MET  18   6.355  11.060   7.828
  129   2HE   MET  18          2HE       MET  18   6.303  10.972   6.043
  130   3HE   MET  18          3HE       MET  18   6.815  12.485   6.845
  131    H    ILE  19           H        ILE  19   3.028  13.917   1.549
  132    HA   ILE  19           HA       ILE  19   2.559  11.107   0.831
  133    HB   ILE  19           HB       ILE  19   1.800  13.667  -0.660
  134   1HG1  ILE  19          1HG1      ILE  19   0.402  13.684   1.241
  135   2HG1  ILE  19          2HG1      ILE  19  -0.592  12.828   0.082
  136   1HG2  ILE  19          1HG2      ILE  19   0.295  12.277  -2.101
  137   2HG2  ILE  19          2HG2      ILE  19   1.974  11.789  -2.324
  138   3HG2  ILE  19          3HG2      ILE  19   0.893  10.788  -1.328
  139   1HD1  ILE  19          1HD1      ILE  19   0.991  11.463   2.336
  140   2HD1  ILE  19          2HD1      ILE  19  -0.767  11.680   2.217
  141   3HD1  ILE  19          3HD1      ILE  19   0.069  10.602   1.075
  142    H    ALA  20           H        ALA  20   4.499  13.725  -0.603
  143    HA   ALA  20           HA       ALA  20   5.378  12.405  -3.038
  144   1HB   ALA  20          1HB       ALA  20   5.590  14.850  -2.641
  145   2HB   ALA  20          2HB       ALA  20   6.853  14.573  -1.427
  146   3HB   ALA  20          3HB       ALA  20   7.151  14.152  -3.133
  147    H    GLU  21           H        GLU  21   6.534  12.279   0.287
  148    HA   GLU  21           HA       GLU  21   9.163  11.038  -0.218
  149   1HB   GLU  21          1HB       GLU  21   9.387  11.882   1.840
  150   2HB   GLU  21          2HB       GLU  21   7.659  11.943   2.124
  151   1HG   GLU  21          1HG       GLU  21   9.007   9.217   2.343
  152   2HG   GLU  21          2HG       GLU  21   7.601   9.831   3.196
  153    H    PHE  22           H        PHE  22   5.945   9.826   0.653
  154    HA   PHE  22           HA       PHE  22   6.628   6.988   1.038
  155   1HB   PHE  22          1HB       PHE  22   3.968   8.374   0.393
  156   2HB   PHE  22          2HB       PHE  22   4.082   6.641   0.541
  157    HD1  PHE  22           HD1      PHE  22   2.457   6.785   2.480
  158    HD2  PHE  22           HD2      PHE  22   6.312   8.688   2.700
  159    HE1  PHE  22           HE1      PHE  22   2.239   6.968   4.922
  160    HE2  PHE  22           HE2      PHE  22   6.071   8.866   5.143
  161    HZ   PHE  22           HZ       PHE  22   4.028   8.033   6.255
  162    H    LYS  23           H        LYS  23   5.804   9.008  -1.722
  163    HA   LYS  23           HA       LYS  23   5.386   6.831  -3.697
  164   1HB   LYS  23          1HB       LYS  23   4.253   8.742  -4.373
  165   2HB   LYS  23          2HB       LYS  23   5.480   9.851  -3.799
  166   1HG   LYS  23          1HG       LYS  23   6.252   8.112  -6.154
  167   2HG   LYS  23          2HG       LYS  23   4.977   9.278  -6.446
  168   1HD   LYS  23          1HD       LYS  23   7.727  10.064  -5.275
  169   2HD   LYS  23          2HD       LYS  23   6.444  11.154  -5.777
  170   1HE   LYS  23          1HE       LYS  23   8.550  10.538  -7.399
  171   2HE   LYS  23          2HE       LYS  23   7.462   9.248  -7.916
  172   1HZ   LYS  23          1HZ       LYS  23   6.742  10.901  -9.272
  173   2HZ   LYS  23          2HZ       LYS  23   5.793  11.330  -7.990
  174   3HZ   LYS  23          3HZ       LYS  23   7.208  12.134  -8.275
  175    H    ALA  24           H        ALA  24   8.074   8.852  -2.635
  176    HA   ALA  24           HA       ALA  24  10.022   8.284  -4.729
  177   1HB   ALA  24          1HB       ALA  24  11.731   9.079  -3.106
  178   2HB   ALA  24          2HB       ALA  24  10.317  10.150  -3.124
  179   3HB   ALA  24          3HB       ALA  24  10.549   9.007  -1.777
  180    H    ALA  25           H        ALA  25   9.118   6.585  -1.763
  181    HA   ALA  25           HA       ALA  25  11.373   4.601  -1.894
  182   1HB   ALA  25          1HB       ALA  25  10.382   3.670   0.189
  183   2HB   ALA  25          2HB       ALA  25  10.607   5.425   0.313
  184   3HB   ALA  25          3HB       ALA  25   8.978   4.754   0.044
  185    H    PHE  26           H        PHE  26   7.918   4.763  -2.579
  186    HA   PHE  26           HA       PHE  26   7.297   1.932  -2.795
  187   1HB   PHE  26          1HB       PHE  26   5.584   3.766  -2.603
  188   2HB   PHE  26          2HB       PHE  26   5.917   4.276  -4.238
  189    HD1  PHE  26           HD1      PHE  26   6.159   0.653  -3.925
  190    HD2  PHE  26           HD2      PHE  26   3.330   3.857  -4.413
  191    HE1  PHE  26           HE1      PHE  26   4.490  -0.936  -4.794
  192    HE2  PHE  26           HE2      PHE  26   1.625   2.229  -5.127
  193    HZ   PHE  26           HZ       PHE  26   2.199  -0.167  -5.312
  194    H    ASP  27           H        ASP  27   8.678   4.260  -5.050
  195    HA   ASP  27           HA       ASP  27   8.448   2.630  -7.504
  196   1HB   ASP  27          1HB       ASP  27   8.790   5.224  -7.329
  197   2HB   ASP  27          2HB       ASP  27  10.493   4.874  -7.140
  198    H    MET  28           H        MET  28  10.851   3.025  -4.965
  199    HA   MET  28           HA       MET  28  13.216   1.875  -6.102
  200   1HB   MET  28          1HB       MET  28  12.246   1.522  -3.206
  201   2HB   MET  28          2HB       MET  28  13.840   1.069  -3.781
  202   1HG   MET  28          1HG       MET  28  12.832   3.958  -4.095
  203   2HG   MET  28          2HG       MET  28  13.578   3.386  -2.595
  204   1HE   MET  28          1HE       MET  28  15.764   1.824  -2.673
  205   2HE   MET  28          2HE       MET  28  15.818   1.095  -4.305
  206   3HE   MET  28          3HE       MET  28  17.144   2.166  -3.764
  207    H    PHE  29           H        PHE  29  10.432   0.246  -4.594
  208    HA   PHE  29           HA       PHE  29  11.534  -2.528  -5.092
  209   1HB   PHE  29          1HB       PHE  29   9.387  -3.340  -4.037
  210   2HB   PHE  29          2HB       PHE  29   8.801  -1.702  -3.939
  211    HD1  PHE  29           HD1      PHE  29   9.280  -3.737  -1.606
  212    HD2  PHE  29           HD2      PHE  29  11.611  -0.440  -3.100
  213    HE1  PHE  29           HE1      PHE  29  10.356  -3.485   0.594
  214    HE2  PHE  29           HE2      PHE  29  12.655  -0.190  -0.885
  215    HZ   PHE  29           HZ       PHE  29  12.040  -1.713   0.958
  216    H    ASP  30           H        ASP  30   9.096  -0.302  -6.332
  217    HA   ASP  30           HA       ASP  30   8.019  -2.244  -8.357
  218   1HB   ASP  30          1HB       ASP  30   6.316  -0.818  -7.566
  219   2HB   ASP  30          2HB       ASP  30   7.315   0.616  -7.614
  220    H    ALA  31           H        ALA  31   9.865  -2.758  -9.515
  221    HA   ALA  31           HA       ALA  31  11.595  -0.825 -10.931
  222   1HB   ALA  31          1HB       ALA  31  12.490  -2.830 -12.123
  223   2HB   ALA  31          2HB       ALA  31  12.399  -3.093 -10.371
  224   3HB   ALA  31          3HB       ALA  31  11.194  -3.845 -11.448
  225    H    ASP  32           H        ASP  32   8.842  -2.872 -11.889
  226    HA   ASP  32           HA       ASP  32   7.989  -0.925 -14.018
  227   1HB   ASP  32          1HB       ASP  32   7.776  -2.948 -15.725
  228   2HB   ASP  32          2HB       ASP  32   9.049  -3.680 -14.777
  229    H    GLY  33           H        GLY  33   5.838  -1.186 -14.595
  230   1HA   GLY  33          1HA       GLY  33   3.932  -3.224 -14.306
  231   2HA   GLY  33          2HA       GLY  33   4.106  -2.692 -12.629
  232    H    GLY  34           H        GLY  34   4.338  -0.040 -12.705
  233   1HA   GLY  34          1HA       GLY  34   1.634   0.913 -13.783
  234   2HA   GLY  34          2HA       GLY  34   3.071   1.857 -14.186
  235    H    GLY  35           H        GLY  35   2.305   0.159 -11.158
  236   1HA   GLY  35          1HA       GLY  35   3.187   2.114  -9.242
  237   2HA   GLY  35          2HA       GLY  35   1.537   2.607  -9.639
  238    H    ASP  36           H        ASP  36   2.975  -0.638  -9.369
  239    HA   ASP  36           HA       ASP  36   1.250  -1.312  -6.952
  240   1HB   ASP  36          1HB       ASP  36   0.030  -3.046  -7.876
  241   2HB   ASP  36          2HB       ASP  36   0.038  -1.899  -9.196
  242    H    ILE  37           H        ILE  37   1.924  -3.269  -5.910
  243    HA   ILE  37           HA       ILE  37   4.638  -4.461  -6.619
  244    HB   ILE  37           HB       ILE  37   5.480  -4.176  -4.280
  245   1HG1  ILE  37          1HG1      ILE  37   3.322  -1.989  -3.944
  246   2HG1  ILE  37          2HG1      ILE  37   3.224  -3.567  -3.192
  247   1HG2  ILE  37          1HG2      ILE  37   6.387  -1.879  -4.652
  248   2HG2  ILE  37          2HG2      ILE  37   6.322  -2.763  -6.182
  249   3HG2  ILE  37          3HG2      ILE  37   5.099  -1.521  -5.827
  250   1HD1  ILE  37          1HD1      ILE  37   5.412  -1.497  -2.581
  251   2HD1  ILE  37          2HD1      ILE  37   4.062  -1.994  -1.538
  252   3HD1  ILE  37          3HD1      ILE  37   5.361  -3.150  -1.912
  253    H    SER  38           H        SER  38   5.044  -6.366  -5.207
  254    HA   SER  38           HA       SER  38   2.606  -8.075  -4.869
  255   1HB   SER  38          1HB       SER  38   5.048  -8.761  -5.661
  256   2HB   SER  38          2HB       SER  38   5.370  -8.938  -3.934
  257    HG   SER  38           HG       SER  38   4.451 -10.756  -5.244
  258    H    THR  39           H        THR  39   2.339  -9.315  -2.832
  259    HA   THR  39           HA       THR  39   2.051  -7.479  -0.490
  260    HB   THR  39           HB       THR  39   0.931  -9.366   0.663
  261    HG1  THR  39           HG1      THR  39   0.895 -10.863  -1.660
  262   1HG2  THR  39          1HG2      THR  39  -1.085  -9.539  -0.728
  263   2HG2  THR  39          2HG2      THR  39  -0.456  -7.879  -0.844
  264   3HG2  THR  39          3HG2      THR  39  -0.200  -9.028  -2.184
  265    H    LYS  40           H        LYS  40   4.146 -10.110  -1.503
  266    HA   LYS  40           HA       LYS  40   5.285 -10.916   1.050
  267   1HB   LYS  40          1HB       LYS  40   5.589 -11.787  -1.563
  268   2HB   LYS  40          2HB       LYS  40   7.135 -10.998  -1.332
  269   1HG   LYS  40          1HG       LYS  40   7.235 -12.448   0.919
  270   2HG   LYS  40          2HG       LYS  40   5.974 -13.400   0.161
  271   1HD   LYS  40          1HD       LYS  40   7.724 -14.625  -0.706
  272   2HD   LYS  40          2HD       LYS  40   7.762 -13.355  -1.918
  273   1HE   LYS  40          1HE       LYS  40   9.568 -13.520   0.568
  274   2HE   LYS  40          2HE       LYS  40   9.509 -12.098  -0.476
  275   1HZ   LYS  40          1HZ       LYS  40  11.157 -13.232  -1.513
  276   2HZ   LYS  40          2HZ       LYS  40  10.669 -14.723  -0.994
  277   3HZ   LYS  40          3HZ       LYS  40   9.930 -14.017  -2.292
  278    H    GLU  41           H        GLU  41   6.099  -8.340  -1.229
  279    HA   GLU  41           HA       GLU  41   8.545  -7.488   0.330
  280   1HB   GLU  41          1HB       GLU  41   7.464  -6.099  -2.167
  281   2HB   GLU  41          2HB       GLU  41   9.077  -6.006  -1.489
  282   1HG   GLU  41          1HG       GLU  41   7.842  -8.165  -3.220
  283   2HG   GLU  41          2HG       GLU  41   8.975  -8.725  -2.002
  284    H    LEU  42           H        LEU  42   5.371  -6.197  -0.643
  285    HA   LEU  42           HA       LEU  42   5.249  -3.589   0.242
  286   1HB   LEU  42          1HB       LEU  42   3.136  -5.766   0.759
  287   2HB   LEU  42          2HB       LEU  42   3.305  -4.804  -0.693
  288    HG   LEU  42           HG       LEU  42   1.376  -4.160   0.822
  289   1HD1  LEU  42          1HD1      LEU  42   3.344  -1.823   0.394
  290   2HD1  LEU  42          2HD1      LEU  42   2.410  -2.568  -0.912
  291   3HD1  LEU  42          3HD1      LEU  42   1.563  -1.750   0.425
  292   1HD2  LEU  42          1HD2      LEU  42   1.714  -2.860   2.882
  293   2HD2  LEU  42          2HD2      LEU  42   2.602  -4.394   3.053
  294   3HD2  LEU  42          3HD2      LEU  42   3.486  -2.901   2.690
  295    H    GLY  43           H        GLY  43   4.387  -6.269   2.454
  296   1HA   GLY  43          1HA       GLY  43   4.289  -5.137   5.009
  297   2HA   GLY  43          2HA       GLY  43   5.080  -6.693   4.745
  298    H    THR  44           H        THR  44   7.380  -6.404   3.685
  299    HA   THR  44           HA       THR  44   9.226  -5.487   5.543
  300    HB   THR  44           HB       THR  44   9.491  -5.912   2.571
  301    HG1  THR  44           HG1      THR  44   9.704  -7.693   3.641
  302   1HG2  THR  44          1HG2      THR  44  11.958  -5.515   2.649
  303   2HG2  THR  44          2HG2      THR  44  11.057  -4.000   2.868
  304   3HG2  THR  44          3HG2      THR  44  11.806  -4.800   4.274
  305    H    VAL  45           H        VAL  45   7.966  -3.595   2.797
  306    HA   VAL  45           HA       VAL  45   9.633  -1.257   2.928
  307    HB   VAL  45           HB       VAL  45   6.676  -1.134   2.165
  308   1HG1  VAL  45          1HG1      VAL  45   8.975  -1.891   0.257
  309   2HG1  VAL  45          2HG1      VAL  45   7.884  -3.078   0.981
  310   3HG1  VAL  45          3HG1      VAL  45   7.231  -1.833  -0.108
  311   1HG2  VAL  45          1HG2      VAL  45   7.278   0.709   0.681
  312   2HG2  VAL  45          2HG2      VAL  45   7.979   1.097   2.269
  313   3HG2  VAL  45          3HG2      VAL  45   9.021   0.481   0.979
  314    H    MET  46           H        MET  46   6.596  -2.004   4.640
  315    HA   MET  46           HA       MET  46   6.100   0.503   5.964
  316   1HB   MET  46          1HB       MET  46   5.444  -2.326   6.977
  317   2HB   MET  46          2HB       MET  46   4.858  -0.853   7.727
  318   1HG   MET  46          1HG       MET  46   3.701  -0.230   5.519
  319   2HG   MET  46          2HG       MET  46   4.206  -1.797   4.867
  320   1HE   MET  46          1HE       MET  46   4.043  -3.972   6.772
  321   2HE   MET  46          2HE       MET  46   3.920  -3.077   8.315
  322   3HE   MET  46          3HE       MET  46   2.595  -4.164   7.809
  323    NH1  ARG  47           NH1      ARG  47  12.195  -7.117   9.233
  324    NH2  ARG  47           NH2      ARG  47  11.353  -7.668  11.270
  325    H    ARG  47           H        ARG  47   8.133  -2.240   6.979
  326    HA   ARG  47           HA       ARG  47   8.883  -0.929   9.608
  327   1HB   ARG  47          1HB       ARG  47   9.394  -3.009  10.362
  328   2HB   ARG  47          2HB       ARG  47   8.389  -3.513   9.007
  329   1HG   ARG  47          1HG       ARG  47  11.021  -3.282   7.891
  330   2HG   ARG  47          2HG       ARG  47  10.083  -4.749   8.173
  331   1HD   ARG  47          1HD       ARG  47  12.484  -4.512   9.296
  332   2HD   ARG  47          2HD       ARG  47  11.676  -3.489  10.483
  333    HE   ARG  47           HE       ARG  47  10.236  -5.467  11.134
  334   1HH1  ARG  47          1HH1      ARG  47  12.590  -8.064   9.226
  335   2HH1  ARG  47          2HH1      ARG  47  12.255  -6.421   8.482
  336   1HH2  ARG  47          1HH2      ARG  47  10.851  -7.365  12.112
  337   2HH2  ARG  47          2HH2      ARG  47  11.721  -8.606  11.078
  338    H    MET  48           H        MET  48  10.093  -0.986   6.402
  339    HA   MET  48           HA       MET  48  13.008  -0.821   7.119
  340   1HB   MET  48          1HB       MET  48  11.674  -0.451   4.368
  341   2HB   MET  48          2HB       MET  48  12.201  -1.990   5.027
  342   1HG   MET  48          1HG       MET  48  13.871   0.265   3.892
  343   2HG   MET  48          2HG       MET  48  14.581  -0.621   5.252
  344   1HE   MET  48          1HE       MET  48  14.308  -3.940   4.885
  345   2HE   MET  48          2HE       MET  48  15.849  -3.762   3.995
  346   3HE   MET  48          3HE       MET  48  15.477  -2.666   5.358
  347    H    LEU  49           H        LEU  49  10.504   1.346   7.324
  348    HA   LEU  49           HA       LEU  49  12.351   3.769   6.935
  349   1HB   LEU  49          1HB       LEU  49  10.718   4.710   5.730
  350   2HB   LEU  49          2HB       LEU  49   9.773   4.823   7.198
  351    HG   LEU  49           HG       LEU  49   9.434   2.163   5.878
  352   1HD1  LEU  49          1HD1      LEU  49   8.490   4.629   4.286
  353   2HD1  LEU  49          2HD1      LEU  49   9.863   3.608   3.821
  354   3HD1  LEU  49          3HD1      LEU  49   8.222   2.917   3.871
  355   1HD2  LEU  49          1HD2      LEU  49   7.049   2.598   6.273
  356   2HD2  LEU  49          2HD2      LEU  49   7.931   3.159   7.715
  357   3HD2  LEU  49          3HD2      LEU  49   7.345   4.336   6.532
  358    H    GLY  50           H        GLY  50   9.770   2.318   8.935
  359   1HA   GLY  50          1HA       GLY  50  11.077   2.913  11.529
  360   2HA   GLY  50          2HA       GLY  50   9.895   4.169  11.175
  361    H    GLN  51           H        GLN  51  10.013   0.605  10.901
  362    HA   GLN  51           HA       GLN  51   7.771   0.317  12.933
  363   1HB   GLN  51          1HB       GLN  51   7.030   0.303  10.239
  364   2HB   GLN  51          2HB       GLN  51   7.304  -1.405  10.539
  365   1HG   GLN  51          1HG       GLN  51   4.907  -0.584  10.883
  366   2HG   GLN  51          2HG       GLN  51   5.571  -1.570  12.169
  367   1HE2  GLN  51          1HE2      GLN  51   4.492   2.340  12.935
  368   2HE2  GLN  51          2HE2      GLN  51   4.302   1.541  11.294
  369    H    ASN  52           H        ASN  52   7.359  -2.316  12.862
  370    HA   ASN  52           HA       ASN  52   9.901  -3.875  12.750
  371   1HB   ASN  52          1HB       ASN  52   9.891  -2.339  14.905
  372   2HB   ASN  52          2HB       ASN  52   8.781  -3.515  15.574
  373   1HD2  ASN  52          1HD2      ASN  52  11.473  -5.835  16.234
  374   2HD2  ASN  52          2HD2      ASN  52   9.662  -5.541  16.207
  375    HA   PRO  53           HA       PRO  53   5.398  -5.917  13.241
  376   1HB   PRO  53          1HB       PRO  53   4.171  -5.994  11.202
  377   2HB   PRO  53          2HB       PRO  53   5.613  -6.503  10.294
  378   1HG   PRO  53          1HG       PRO  53   5.002  -3.645  11.241
  379   2HG   PRO  53          2HG       PRO  53   5.455  -4.199   9.596
  380   1HD   PRO  53          1HD       PRO  53   7.729  -4.724  10.293
  381   2HD   PRO  53          2HD       PRO  53   7.350  -3.213  11.188
  382    H    THR  54           H        THR  54   4.892  -8.255  11.885
  383    HA   THR  54           HA       THR  54   7.392  -9.994  12.083
  384    HB   THR  54           HB       THR  54   6.654 -11.414  13.640
  385    HG1  THR  54           HG1      THR  54   4.165 -11.649  13.763
  386   1HG2  THR  54          1HG2      THR  54   5.138 -10.541  15.389
  387   2HG2  THR  54          2HG2      THR  54   6.230  -9.247  14.841
  388   3HG2  THR  54          3HG2      THR  54   4.534  -9.274  14.294
  389    H    LYS  55           H        LYS  55   6.869 -12.222  11.135
  390    HA   LYS  55           HA       LYS  55   5.966 -11.781   8.304
  391   1HB   LYS  55          1HB       LYS  55   8.027 -13.209   9.148
  392   2HB   LYS  55          2HB       LYS  55   6.860 -14.478   9.454
  393   1HG   LYS  55          1HG       LYS  55   6.149 -14.312   6.983
  394   2HG   LYS  55          2HG       LYS  55   7.742 -14.966   7.307
  395   1HD   LYS  55          1HD       LYS  55   7.577 -13.304   5.332
  396   2HD   LYS  55          2HD       LYS  55   7.233 -12.042   6.504
  397   1HE   LYS  55          1HE       LYS  55   9.444 -12.256   7.561
  398   2HE   LYS  55          2HE       LYS  55   9.835 -13.696   6.620
  399   1HZ   LYS  55          1HZ       LYS  55  10.454 -11.155   5.923
  400   2HZ   LYS  55          2HZ       LYS  55  10.420 -12.427   4.869
  401   3HZ   LYS  55          3HZ       LYS  55   9.119 -11.415   4.985
  402    H    GLU  56           H        GLU  56   4.956 -13.552  11.193
  403    HA   GLU  56           HA       GLU  56   2.716 -15.063  10.100
  404   1HB   GLU  56          1HB       GLU  56   2.718 -14.017  12.962
  405   2HB   GLU  56          2HB       GLU  56   3.886 -15.220  12.453
  406   1HG   GLU  56          1HG       GLU  56   2.202 -16.901  12.082
  407   2HG   GLU  56          2HG       GLU  56   0.906 -15.725  11.946
  408    H    GLU  57           H        GLU  57   3.060 -11.751  11.250
  409    HA   GLU  57           HA       GLU  57   0.169 -11.024  11.150
  410   1HB   GLU  57          1HB       GLU  57   2.438  -8.991  11.070
  411   2HB   GLU  57          2HB       GLU  57   0.802  -8.785  11.664
  412   1HG   GLU  57          1HG       GLU  57   2.452 -10.878  13.109
  413   2HG   GLU  57          2HG       GLU  57   3.013  -9.223  13.267
  414    H    LEU  58           H        LEU  58   2.959 -10.912   9.000
  415    HA   LEU  58           HA       LEU  58   1.906  -9.204   6.850
  416   1HB   LEU  58          1HB       LEU  58   4.352 -10.320   7.314
  417   2HB   LEU  58          2HB       LEU  58   3.755 -11.513   6.181
  418    HG   LEU  58           HG       LEU  58   4.342  -8.554   5.698
  419   1HD1  LEU  58          1HD1      LEU  58   2.685 -10.253   3.729
  420   2HD1  LEU  58          2HD1      LEU  58   1.979  -9.034   4.800
  421   3HD1  LEU  58          3HD1      LEU  58   3.151  -8.542   3.554
  422   1HD2  LEU  58          1HD2      LEU  58   5.696  -9.394   3.810
  423   2HD2  LEU  58          2HD2      LEU  58   6.127 -10.329   5.263
  424   3HD2  LEU  58          3HD2      LEU  58   5.072 -11.048   4.033
  425    H    ASP  59           H        ASP  59   1.619 -12.618   7.674
  426    HA   ASP  59           HA       ASP  59   0.330 -13.560   5.209
  427   1HB   ASP  59          1HB       ASP  59  -0.131 -14.942   7.891
  428   2HB   ASP  59          2HB       ASP  59   1.460 -14.949   7.164
  429    H    ALA  60           H        ALA  60  -0.833 -12.118   8.201
  430    HA   ALA  60           HA       ALA  60  -3.713 -12.562   7.877
  431   1HB   ALA  60          1HB       ALA  60  -3.986 -10.761   9.574
  432   2HB   ALA  60          2HB       ALA  60  -2.731 -11.921  10.054
  433   3HB   ALA  60          3HB       ALA  60  -2.268 -10.318   9.427
  434    H    ILE  61           H        ILE  61  -1.852  -9.529   7.433
  435    HA   ILE  61           HA       ILE  61  -3.729  -7.896   6.117
  436    HB   ILE  61           HB       ILE  61  -0.710  -7.960   5.941
  437   1HG1  ILE  61          1HG1      ILE  61  -1.071  -5.517   6.802
  438   2HG1  ILE  61          2HG1      ILE  61  -2.763  -5.918   7.003
  439   1HG2  ILE  61          1HG2      ILE  61  -0.677  -5.950   4.439
  440   2HG2  ILE  61          2HG2      ILE  61  -1.387  -7.334   3.611
  441   3HG2  ILE  61          3HG2      ILE  61  -2.444  -6.048   4.239
  442   1HD1  ILE  61          1HD1      ILE  61  -0.471  -7.302   8.516
  443   2HD1  ILE  61          2HD1      ILE  61  -1.667  -6.157   9.161
  444   3HD1  ILE  61          3HD1      ILE  61  -2.191  -7.769   8.620
  445    H    ILE  62           H        ILE  62  -1.743 -10.532   4.886
  446    HA   ILE  62           HA       ILE  62  -2.105 -10.147   1.993
  447    HB   ILE  62           HB       ILE  62  -1.113 -12.399   3.716
  448   1HG1  ILE  62          1HG1      ILE  62   0.046 -11.413   1.039
  449   2HG1  ILE  62          2HG1      ILE  62   0.316 -10.517   2.518
  450   1HG2  ILE  62          1HG2      ILE  62  -1.073 -14.054   1.832
  451   2HG2  ILE  62          2HG2      ILE  62  -2.734 -13.638   2.248
  452   3HG2  ILE  62          3HG2      ILE  62  -1.989 -12.929   0.798
  453   1HD1  ILE  62          1HD1      ILE  62   1.251 -13.410   2.059
  454   2HD1  ILE  62          2HD1      ILE  62   2.247 -11.943   2.139
  455   3HD1  ILE  62          3HD1      ILE  62   1.410 -12.520   3.598
  456    H    GLU  63           H        GLU  63  -3.774 -12.202   4.392
  457    HA   GLU  63           HA       GLU  63  -5.737 -13.465   2.739
  458   1HB   GLU  63          1HB       GLU  63  -5.216 -13.662   5.359
  459   2HB   GLU  63          2HB       GLU  63  -6.578 -12.571   5.512
  460   1HG   GLU  63          1HG       GLU  63  -7.821 -14.383   3.927
  461   2HG   GLU  63          2HG       GLU  63  -7.726 -14.577   5.669
  462    H    GLU  64           H        GLU  64  -5.869 -10.303   4.365
  463    HA   GLU  64           HA       GLU  64  -8.621  -9.587   3.669
  464   1HB   GLU  64          1HB       GLU  64  -6.728  -8.492   5.338
  465   2HB   GLU  64          2HB       GLU  64  -6.676  -7.331   4.026
  466   1HG   GLU  64          1HG       GLU  64  -9.301  -7.183   4.272
  467   2HG   GLU  64          2HG       GLU  64  -9.095  -8.066   5.776
  468    H    VAL  65           H        VAL  65  -5.506  -9.170   2.072
  469    HA   VAL  65           HA       VAL  65  -6.763  -7.650  -0.255
  470    HB   VAL  65           HB       VAL  65  -3.767  -8.093   0.119
  471   1HG1  VAL  65          1HG1      VAL  65  -3.552  -6.076  -1.344
  472   2HG1  VAL  65          2HG1      VAL  65  -4.473  -7.352  -2.162
  473   3HG1  VAL  65          3HG1      VAL  65  -5.323  -5.946  -1.475
  474   1HG2  VAL  65          1HG2      VAL  65  -5.380  -5.693   1.229
  475   2HG2  VAL  65          2HG2      VAL  65  -4.521  -6.919   2.192
  476   3HG2  VAL  65          3HG2      VAL  65  -3.604  -5.813   1.160
  477    H    ASP  66           H        ASP  66  -7.334 -10.407   0.244
  478    HA   ASP  66           HA       ASP  66  -6.651 -11.503  -2.477
  479   1HB   ASP  66          1HB       ASP  66  -6.123 -13.429  -0.172
  480   2HB   ASP  66          2HB       ASP  66  -4.864 -12.331  -0.687
  481    H    GLU  67           H        GLU  67  -8.943 -10.425  -1.196
  482    HA   GLU  67           HA       GLU  67 -10.760 -12.652  -0.315
  483   1HB   GLU  67          1HB       GLU  67 -10.992  -9.639  -0.428
  484   2HB   GLU  67          2HB       GLU  67 -12.476 -10.571  -0.445
  485   1HG   GLU  67          1HG       GLU  67 -11.313 -11.795   1.706
  486   2HG   GLU  67          2HG       GLU  67 -10.414 -10.289   1.778
  487    H    ASP  68           H        ASP  68 -10.637 -10.272  -2.978
  488    HA   ASP  68           HA       ASP  68 -11.795 -12.224  -4.945
  489   1HB   ASP  68          1HB       ASP  68 -13.957 -11.657  -4.527
  490   2HB   ASP  68          2HB       ASP  68 -13.587 -10.332  -5.606
  491    H    GLY  69           H        GLY  69  -9.530 -11.715  -5.507
  492   1HA   GLY  69          1HA       GLY  69  -8.405  -9.265  -6.450
  493   2HA   GLY  69          2HA       GLY  69  -9.450  -9.769  -7.783
  494    H    SER  70           H        SER  70  -6.758  -9.550  -8.123
  495    HA   SER  70           HA       SER  70  -5.928 -12.355  -8.912
  496   1HB   SER  70          1HB       SER  70  -4.637 -11.416 -10.559
  497   2HB   SER  70          2HB       SER  70  -4.137 -10.035  -9.579
  498    HG   SER  70           HG       SER  70  -5.685  -9.726 -11.370
  499    H    GLY  71           H        GLY  71  -5.032  -9.722  -6.741
  500   1HA   GLY  71          1HA       GLY  71  -2.922 -11.506  -5.384
  501   2HA   GLY  71          2HA       GLY  71  -3.948 -10.366  -4.506
  502    H    THR  72           H        THR  72  -3.862  -8.082  -5.823
  503    HA   THR  72           HA       THR  72  -0.934  -7.251  -5.785
  504    HB   THR  72           HB       THR  72  -0.965  -5.985  -7.717
  505    HG1  THR  72           HG1      THR  72  -2.665  -5.124  -8.588
  506   1HG2  THR  72          1HG2      THR  72  -2.896  -8.114  -8.767
  507   2HG2  THR  72          2HG2      THR  72  -1.517  -7.356  -9.594
  508   3HG2  THR  72          3HG2      THR  72  -1.237  -8.545  -8.295
  509    H    ILE  73           H        ILE  73  -0.632  -4.969  -5.323
  510    HA   ILE  73           HA       ILE  73  -2.947  -3.583  -3.952
  511    HB   ILE  73           HB       ILE  73  -1.515  -4.961  -2.306
  512   1HG1  ILE  73          1HG1      ILE  73  -3.188  -2.803  -1.986
  513   2HG1  ILE  73          2HG1      ILE  73  -1.735  -2.151  -1.250
  514   1HG2  ILE  73          1HG2      ILE  73   0.484  -3.936  -1.286
  515   2HG2  ILE  73          2HG2      ILE  73   0.788  -4.188  -3.011
  516   3HG2  ILE  73          3HG2      ILE  73   0.418  -2.555  -2.406
  517   1HD1  ILE  73          1HD1      ILE  73  -1.777  -4.591   0.051
  518   2HD1  ILE  73          2HD1      ILE  73  -2.559  -3.115   0.658
  519   3HD1  ILE  73          3HD1      ILE  73  -3.523  -4.331  -0.215
  520    H    ASP  74           H        ASP  74  -2.782  -1.336  -3.843
  521    HA   ASP  74           HA       ASP  74  -0.855  -0.109  -5.883
  522   1HB   ASP  74          1HB       ASP  74  -3.095   1.605  -5.580
  523   2HB   ASP  74          2HB       ASP  74  -3.698  -0.061  -5.818
  524    H    PHE  75           H        PHE  75  -0.926   2.433  -5.492
  525    HA   PHE  75           HA       PHE  75   0.545   2.917  -2.953
  526   1HB   PHE  75          1HB       PHE  75  -0.387   5.009  -5.005
  527   2HB   PHE  75          2HB       PHE  75   1.033   4.022  -5.233
  528    HD1  PHE  75           HD1      PHE  75   2.960   4.232  -3.426
  529    HD2  PHE  75           HD2      PHE  75  -0.351   6.978  -3.574
  530    HE1  PHE  75           HE1      PHE  75   4.357   5.987  -2.416
  531    HE2  PHE  75           HE2      PHE  75   1.067   8.723  -2.569
  532    HZ   PHE  75           HZ       PHE  75   3.430   8.247  -2.032
  533    H    GLU  76           H        GLU  76  -2.667   3.540  -4.258
  534    HA   GLU  76           HA       GLU  76  -3.653   5.435  -2.260
  535   1HB   GLU  76          1HB       GLU  76  -5.178   3.545  -4.121
  536   2HB   GLU  76          2HB       GLU  76  -5.980   4.666  -3.039
  537   1HG   GLU  76          1HG       GLU  76  -4.489   6.533  -4.250
  538   2HG   GLU  76          2HG       GLU  76  -5.957   5.930  -5.000
  539    H    GLU  77           H        GLU  77  -4.424   1.967  -2.660
  540    HA   GLU  77           HA       GLU  77  -5.604   1.443  -0.045
  541   1HB   GLU  77          1HB       GLU  77  -4.175  -0.433  -1.987
  542   2HB   GLU  77          2HB       GLU  77  -4.814  -0.993  -0.455
  543   1HG   GLU  77          1HG       GLU  77  -6.709   0.530  -2.304
  544   2HG   GLU  77          2HG       GLU  77  -6.236  -1.095  -2.769
  545    H    PHE  78           H        PHE  78  -2.286   1.723  -1.155
  546    HA   PHE  78           HA       PHE  78  -0.906   0.407   1.055
  547   1HB   PHE  78          1HB       PHE  78   0.522   0.642  -0.738
  548   2HB   PHE  78          2HB       PHE  78  -0.097   2.199  -1.218
  549    HD1  PHE  78           HD1      PHE  78   1.991   0.583   1.517
  550    HD2  PHE  78           HD2      PHE  78   1.143   4.203  -0.648
  551    HE1  PHE  78           HE1      PHE  78   4.084   1.580   2.344
  552    HE2  PHE  78           HE2      PHE  78   3.240   5.184   0.188
  553    HZ   PHE  78           HZ       PHE  78   4.690   3.894   1.719
  554    H    LEU  79           H        LEU  79  -2.030   3.718   0.524
  555    HA   LEU  79           HA       LEU  79  -0.863   4.904   3.012
  556   1HB   LEU  79          1HB       LEU  79  -2.243   6.884   2.515
  557   2HB   LEU  79          2HB       LEU  79  -3.186   6.004   1.332
  558    HG   LEU  79           HG       LEU  79  -1.565   6.162  -0.338
  559   1HD1  LEU  79          1HD1      LEU  79   0.707   6.479   1.726
  560   2HD1  LEU  79          2HD1      LEU  79   0.237   4.936   0.989
  561   3HD1  LEU  79          3HD1      LEU  79   0.883   6.245  -0.032
  562   1HD2  LEU  79          1HD2      LEU  79  -0.635   8.436  -0.403
  563   2HD2  LEU  79          2HD2      LEU  79  -2.193   8.530   0.456
  564   3HD2  LEU  79          3HD2      LEU  79  -0.680   8.572   1.373
  565    H    VAL  80           H        VAL  80  -3.850   3.346   1.992
  566    HA   VAL  80           HA       VAL  80  -5.582   4.094   4.217
  567    HB   VAL  80           HB       VAL  80  -6.097   2.868   1.877
  568   1HG1  VAL  80          1HG1      VAL  80  -6.875   0.512   2.214
  569   2HG1  VAL  80          2HG1      VAL  80  -5.129   0.638   2.464
  570   3HG1  VAL  80          3HG1      VAL  80  -6.213   0.510   3.869
  571   1HG2  VAL  80          1HG2      VAL  80  -7.901   2.488   4.357
  572   2HG2  VAL  80          2HG2      VAL  80  -7.857   3.943   3.334
  573   3HG2  VAL  80          3HG2      VAL  80  -8.417   2.408   2.654
  574    H    MET  81           H        MET  81  -3.231   1.510   3.725
  575    HA   MET  81           HA       MET  81  -3.952  -0.081   6.150
  576   1HB   MET  81          1HB       MET  81  -2.024  -1.500   5.618
  577   2HB   MET  81          2HB       MET  81  -3.010  -1.228   4.193
  578   1HG   MET  81          1HG       MET  81  -1.355   0.066   3.092
  579   2HG   MET  81          2HG       MET  81  -0.594   0.590   4.603
  580   1HE   MET  81          1HE       MET  81  -0.173  -3.636   2.651
  581   2HE   MET  81          2HE       MET  81  -1.697  -2.711   2.793
  582   3HE   MET  81          3HE       MET  81  -0.415  -2.149   1.681
  583    H    MET  82           H        MET  82  -1.628   2.412   5.257
  584    HA   MET  82           HA       MET  82   0.223   2.192   7.509
  585   1HB   MET  82          1HB       MET  82  -0.336   4.331   5.437
  586   2HB   MET  82          2HB       MET  82   0.528   4.820   6.884
  587   1HG   MET  82          1HG       MET  82   1.881   3.988   4.745
  588   2HG   MET  82          2HG       MET  82   1.511   2.364   5.344
  589   1HE   MET  82          1HE       MET  82   4.094   1.514   6.190
  590   2HE   MET  82          2HE       MET  82   4.274   2.813   4.974
  591   3HE   MET  82          3HE       MET  82   5.245   2.857   6.474
  592    H    VAL  83           H        VAL  83  -2.540   4.385   6.930
  593    HA   VAL  83           HA       VAL  83  -2.501   5.806   9.491
  594    HB   VAL  83           HB       VAL  83  -4.681   5.419   7.406
  595   1HG1  VAL  83          1HG1      VAL  83  -3.347   8.018   8.390
  596   2HG1  VAL  83          2HG1      VAL  83  -2.742   7.079   7.018
  597   3HG1  VAL  83          3HG1      VAL  83  -4.370   7.793   6.948
  598   1HG2  VAL  83          1HG2      VAL  83  -6.243   6.864   8.601
  599   2HG2  VAL  83          2HG2      VAL  83  -5.816   5.553   9.725
  600   3HG2  VAL  83          3HG2      VAL  83  -5.086   7.152   9.926
  601    NH1  ARG  84           NH1      ARG  84  -9.253  -1.481   8.095
  602    NH2  ARG  84           NH2      ARG  84  -8.822  -1.002   5.916
  603    H    ARG  84           H        ARG  84  -4.002   2.803   8.358
  604    HA   ARG  84           HA       ARG  84  -5.727   2.021  10.505
  605   1HB   ARG  84          1HB       ARG  84  -4.936   0.752   8.236
  606   2HB   ARG  84          2HB       ARG  84  -3.881  -0.091   9.361
  607   1HG   ARG  84          1HG       ARG  84  -5.694  -1.017  10.633
  608   2HG   ARG  84          2HG       ARG  84  -6.874   0.121   9.979
  609   1HD   ARG  84          1HD       ARG  84  -5.432  -1.947   8.199
  610   2HD   ARG  84          2HD       ARG  84  -6.945  -2.309   9.027
  611    HE   ARG  84           HE       ARG  84  -6.679  -0.093   6.929
  612   1HH1  ARG  84          1HH1      ARG  84  -9.796  -1.277   5.746
  613   2HH1  ARG  84          2HH1      ARG  84  -8.152  -0.652   5.223
  614   1HH2  ARG  84          1HH2      ARG  84  -8.876  -1.663   9.031
  615   2HH2  ARG  84          2HH2      ARG  84 -10.235  -1.549   7.803
  616    H    GLN  85           H        GLN  85  -2.200   1.476  10.216
  617    HA   GLN  85           HA       GLN  85  -1.919   0.124  12.854
  618   1HB   GLN  85          1HB       GLN  85   0.653   1.111  11.994
  619   2HB   GLN  85          2HB       GLN  85  -0.217   0.666  10.537
  620   1HG   GLN  85          1HG       GLN  85  -0.213  -1.324  12.842
  621   2HG   GLN  85          2HG       GLN  85   1.270  -1.114  11.934
  622   1HE2  GLN  85          1HE2      GLN  85  -1.935  -3.073  10.195
  623   2HE2  GLN  85          2HE2      GLN  85  -2.133  -2.087  11.731
  624    H    MET  86           H        MET  86  -1.625   3.402  11.624
  625    HA   MET  86           HA       MET  86  -0.092   4.698  13.702
  626   1HB   MET  86          1HB       MET  86  -2.252   5.793  11.830
  627   2HB   MET  86          2HB       MET  86  -1.507   6.811  13.049
  628   1HG   MET  86          1HG       MET  86   0.811   6.066  11.993
  629   2HG   MET  86          2HG       MET  86  -0.163   5.501  10.626
  630   1HE   MET  86          1HE       MET  86   2.047   8.621  10.939
  631   2HE   MET  86          2HE       MET  86   0.970   9.719  11.851
  632   3HE   MET  86          3HE       MET  86   1.438   8.144  12.556
  633    H    LYS  87           H        LYS  87  -3.654   4.799  13.346
  634    HA   LYS  87           HA       LYS  87  -4.059   5.366  16.282
  635   1HB   LYS  87          1HB       LYS  87  -5.434   6.140  13.967
  636   2HB   LYS  87          2HB       LYS  87  -6.484   4.879  14.578
  637   1HG   LYS  87          1HG       LYS  87  -6.438   6.130  16.865
  638   2HG   LYS  87          2HG       LYS  87  -5.614   7.439  16.043
  639   1HD   LYS  87          1HD       LYS  87  -7.729   8.284  15.701
  640   2HD   LYS  87          2HD       LYS  87  -7.768   7.156  14.355
  641   1HE   LYS  87          1HE       LYS  87  -9.770   6.548  15.354
  642   2HE   LYS  87          2HE       LYS  87  -8.714   5.410  16.192
  643   1HZ   LYS  87          1HZ       LYS  87  -8.544   7.477  17.853
  644   2HZ   LYS  87          2HZ       LYS  87 -10.034   7.810  17.221
  645   3HZ   LYS  87          3HZ       LYS  87  -9.756   6.359  17.962
  646    H    GLU  88           H        GLU  88  -3.093   2.667  15.141
  647    HA   GLU  88           HA       GLU  88  -5.096   0.603  15.489
  648   1HB   GLU  88          1HB       GLU  88  -2.939   0.117  14.450
  649   2HB   GLU  88          2HB       GLU  88  -2.070   0.464  15.932
  650   1HG   GLU  88          1HG       GLU  88  -4.166  -1.772  15.935
  651   2HG   GLU  88          2HG       GLU  88  -2.608  -2.056  15.178
  652    H    ASP  89           H        ASP  89  -2.512   1.392  17.834
  653    HA   ASP  89           HA       ASP  89  -4.011   0.294  20.153
  654   1HB   ASP  89          1HB       ASP  89  -1.335   1.767  19.959
  655   2HB   ASP  89          2HB       ASP  89  -1.619   0.064  20.232
  656    H    ALA  90           H        ALA  90  -2.457   3.448  20.297
  657    HA   ALA  90           HA       ALA  90  -4.840   5.180  20.284
  658   1HB   ALA  90          1HB       ALA  90  -3.928   4.170  23.050
  659   2HB   ALA  90          2HB       ALA  90  -4.793   5.705  22.843
  660   3HB   ALA  90          3HB       ALA  90  -5.578   4.176  22.379
   
  Start of MODEL           4
 Raw file had  660 H/Q atoms
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1 -24.057   3.357   3.411
    2   2H    ALA   1          2H        ALA   1 -23.714   4.944   2.973
    3   3H    ALA   1          3H        ALA   1 -22.516   3.768   2.876
    4    HA   ALA   1           HA       ALA   1 -22.593   5.445   4.830
    5   1HB   ALA   1          1HB       ALA   1 -24.255   3.240   6.126
    6   2HB   ALA   1          2HB       ALA   1 -24.056   4.933   6.617
    7   3HB   ALA   1          3HB       ALA   1 -25.098   4.526   5.229
    8    H    SER   2           H        SER   2 -21.138   4.861   6.492
    9    HA   SER   2           HA       SER   2 -19.401   3.612   7.611
   10   1HB   SER   2          1HB       SER   2 -20.263   1.018   6.295
   11   2HB   SER   2          2HB       SER   2 -19.638   1.310   7.920
   12    HG   SER   2           HG       SER   2 -21.897   0.894   7.789
   13    H    MET   3           H        MET   3 -17.613   4.379   6.683
   14    HA   MET   3           HA       MET   3 -15.610   4.475   5.348
   15   1HB   MET   3          1HB       MET   3 -16.361   1.698   4.284
   16   2HB   MET   3          2HB       MET   3 -14.776   2.448   4.314
   17   1HG   MET   3          1HG       MET   3 -14.363   1.851   6.514
   18   2HG   MET   3          2HG       MET   3 -16.022   2.182   7.039
   19   1HE   MET   3          1HE       MET   3 -18.059  -0.300   7.055
   20   2HE   MET   3          2HE       MET   3 -16.838  -1.088   8.098
   21   3HE   MET   3          3HE       MET   3 -17.026   0.690   8.134
   22    H    THR   4           H        THR   4 -17.920   5.715   4.484
   23    HA   THR   4           HA       THR   4 -18.823   5.369   1.772
   24    HB   THR   4           HB       THR   4 -18.233   8.150   2.851
   25    HG1  THR   4           HG1      THR   4 -20.666   7.107   3.452
   26   1HG2  THR   4          1HG2      THR   4 -20.359   8.785   1.775
   27   2HG2  THR   4          2HG2      THR   4 -19.286   8.062   0.556
   28   3HG2  THR   4          3HG2      THR   4 -20.649   7.123   1.218
   29    H    ASP   5           H        ASP   5 -15.767   6.516   3.059
   30    HA   ASP   5           HA       ASP   5 -14.264   5.989   0.575
   31   1HB   ASP   5          1HB       ASP   5 -13.511   8.463   0.229
   32   2HB   ASP   5          2HB       ASP   5 -15.002   7.904  -0.493
   33    H    GLN   6           H        GLN   6 -13.546   4.839   2.587
   34    HA   GLN   6           HA       GLN   6 -11.929   6.124   4.683
   35   1HB   GLN   6          1HB       GLN   6 -10.969   3.879   5.106
   36   2HB   GLN   6          2HB       GLN   6 -12.720   3.852   5.003
   37   1HG   GLN   6          1HG       GLN   6 -12.760   2.649   2.968
   38   2HG   GLN   6          2HG       GLN   6 -11.167   3.179   2.471
   39   1HE2  GLN   6          1HE2      GLN   6 -10.911   0.398   5.541
   40   2HE2  GLN   6          2HE2      GLN   6 -11.978   1.882   5.705
   41    H    GLN   7           H        GLN   7 -11.289   5.003   1.403
   42    HA   GLN   7           HA       GLN   7  -8.439   4.857   1.257
   43   1HB   GLN   7          1HB       GLN   7  -8.909   5.951  -1.202
   44   2HB   GLN   7          2HB       GLN   7  -9.169   4.265  -0.791
   45   1HG   GLN   7          1HG       GLN   7 -11.578   4.585  -0.507
   46   2HG   GLN   7          2HG       GLN   7 -11.436   6.329  -0.569
   47   1HE2  GLN   7          1HE2      GLN   7 -10.752   4.395  -4.207
   48   2HE2  GLN   7          2HE2      GLN   7 -10.006   3.756  -2.658
   49    H    ALA   8           H        ALA   8 -10.378   7.749   0.378
   50    HA   ALA   8           HA       ALA   8  -8.142   9.613   0.127
   51   1HB   ALA   8          1HB       ALA   8  -9.939  10.537  -0.935
   52   2HB   ALA   8          2HB       ALA   8 -11.133   9.819   0.163
   53   3HB   ALA   8          3HB       ALA   8 -10.268  11.303   0.637
   54    H    GLU   9           H        GLU   9 -10.151   8.594   2.833
   55    HA   GLU   9           HA       GLU   9  -9.742  10.684   4.761
   56   1HB   GLU   9          1HB       GLU   9 -10.848   8.030   4.816
   57   2HB   GLU   9          2HB       GLU   9  -9.733   8.132   6.164
   58   1HG   GLU   9          1HG       GLU   9 -11.740   8.857   7.154
   59   2HG   GLU   9          2HG       GLU   9 -10.976  10.392   6.778
   60    H    ALA  10           H        ALA  10  -7.694   7.935   3.881
   61    HA   ALA  10           HA       ALA  10  -5.778   7.935   6.056
   62   1HB   ALA  10          1HB       ALA  10  -4.267   6.703   4.507
   63   2HB   ALA  10          2HB       ALA  10  -5.925   6.079   4.425
   64   3HB   ALA  10          3HB       ALA  10  -5.301   7.118   3.119
   65    NH1  ARG  11           NH1      ARG  11  -6.306  13.988  -2.835
   66    NH2  ARG  11           NH2      ARG  11  -7.618  15.452  -1.696
   67    H    ARG  11           H        ARG  11  -5.668   9.570   2.881
   68    HA   ARG  11           HA       ARG  11  -3.098  10.969   3.234
   69   1HB   ARG  11          1HB       ARG  11  -3.395  11.714   1.105
   70   2HB   ARG  11          2HB       ARG  11  -4.685  10.521   1.072
   71   1HG   ARG  11          1HG       ARG  11  -6.350  12.342   1.767
   72   2HG   ARG  11          2HG       ARG  11  -5.055  13.530   1.605
   73   1HD   ARG  11          1HD       ARG  11  -5.913  11.663  -0.700
   74   2HD   ARG  11          2HD       ARG  11  -4.771  13.000  -0.814
   75    HE   ARG  11           HE       ARG  11  -7.584  13.707   0.074
   76   1HH1  ARG  11          1HH1      ARG  11  -6.379  14.650  -3.615
   77   2HH1  ARG  11          2HH1      ARG  11  -5.817  13.086  -2.838
   78   1HH2  ARG  11          1HH2      ARG  11  -8.142  15.658  -0.838
   79   2HH2  ARG  11          2HH2      ARG  11  -7.585  16.022  -2.548
   80    H    ALA  12           H        ALA  12  -6.459  11.735   3.974
   81    HA   ALA  12           HA       ALA  12  -6.522  14.519   4.450
   82   1HB   ALA  12          1HB       ALA  12  -8.279  14.120   6.163
   83   2HB   ALA  12          2HB       ALA  12  -8.514  13.076   4.747
   84   3HB   ALA  12          3HB       ALA  12  -7.847  12.395   6.251
   85    H    PHE  13           H        PHE  13  -5.001  12.014   6.415
   86    HA   PHE  13           HA       PHE  13  -4.378  13.798   8.741
   87   1HB   PHE  13          1HB       PHE  13  -4.865  11.307   8.954
   88   2HB   PHE  13          2HB       PHE  13  -3.348  10.954   8.169
   89    HD1  PHE  13           HD1      PHE  13  -4.196  13.549  10.834
   90    HD2  PHE  13           HD2      PHE  13  -1.876  10.068   9.816
   91    HE1  PHE  13           HE1      PHE  13  -3.088  13.631  13.030
   92    HE2  PHE  13           HE2      PHE  13  -0.752  10.192  12.001
   93    HZ   PHE  13           HZ       PHE  13  -1.359  11.963  13.613
   94    H    LEU  14           H        LEU  14  -2.640  12.241   6.056
   95    HA   LEU  14           HA       LEU  14   0.045  13.337   6.722
   96   1HB   LEU  14          1HB       LEU  14  -0.582  12.401   3.909
   97   2HB   LEU  14          2HB       LEU  14   0.871  12.187   4.861
   98    HG   LEU  14           HG       LEU  14  -1.762  10.620   5.126
   99   1HD1  LEU  14          1HD1      LEU  14   0.709  10.296   6.944
  100   2HD1  LEU  14          2HD1      LEU  14  -0.787  11.112   7.432
  101   3HD1  LEU  14          3HD1      LEU  14  -0.814   9.376   7.034
  102   1HD2  LEU  14          1HD2      LEU  14  -0.437   8.655   4.466
  103   2HD2  LEU  14          2HD2      LEU  14  -0.108   9.940   3.277
  104   3HD2  LEU  14          3HD2      LEU  14   1.083   9.582   4.536
  105    H    SER  15           H        SER  15   1.219  14.770   5.261
  106    HA   SER  15           HA       SER  15  -0.483  17.115   4.311
  107   1HB   SER  15          1HB       SER  15   2.073  18.100   4.241
  108   2HB   SER  15          2HB       SER  15   1.009  18.177   5.648
  109    HG   SER  15           HG       SER  15   3.183  17.275   5.902
  110    H    GLU  16           H        GLU  16   0.421  18.291   2.393
  111    HA   GLU  16           HA       GLU  16   0.278  16.632  -0.009
  112   1HB   GLU  16          1HB       GLU  16  -0.389  19.048   0.097
  113   2HB   GLU  16          2HB       GLU  16   0.565  18.594  -1.303
  114   1HG   GLU  16          1HG       GLU  16   2.579  19.707  -0.394
  115   2HG   GLU  16          2HG       GLU  16   1.811  19.957   1.165
  116    H    GLU  17           H        GLU  17   2.976  18.395   1.503
  117    HA   GLU  17           HA       GLU  17   5.065  17.508  -0.388
  118   1HB   GLU  17          1HB       GLU  17   6.656  18.648   0.856
  119   2HB   GLU  17          2HB       GLU  17   5.192  19.567   1.142
  120   1HG   GLU  17          1HG       GLU  17   6.164  17.443   3.150
  121   2HG   GLU  17          2HG       GLU  17   4.963  18.694   3.420
  122    H    MET  18           H        MET  18   3.950  16.371   2.782
  123    HA   MET  18           HA       MET  18   5.985  14.395   3.386
  124   1HB   MET  18          1HB       MET  18   3.066  14.644   4.250
  125   2HB   MET  18          2HB       MET  18   4.523  14.969   5.170
  126   1HG   MET  18          1HG       MET  18   3.019  12.446   4.923
  127   2HG   MET  18          2HG       MET  18   4.718  12.185   4.499
  128   1HE   MET  18          1HE       MET  18   4.140  15.313   7.113
  129   2HE   MET  18          2HE       MET  18   2.601  14.448   6.825
  130   3HE   MET  18          3HE       MET  18   3.397  14.342   8.423
  131    H    ILE  19           H        ILE  19   3.092  14.282   1.373
  132    HA   ILE  19           HA       ILE  19   2.877  11.396   0.944
  133    HB   ILE  19           HB       ILE  19   1.887  13.757  -0.712
  134   1HG1  ILE  19          1HG1      ILE  19   0.307  13.646   0.980
  135   2HG1  ILE  19          2HG1      ILE  19  -0.382  12.415  -0.057
  136   1HG2  ILE  19          1HG2      ILE  19   0.652  12.172  -2.207
  137   2HG2  ILE  19          2HG2      ILE  19   2.390  11.916  -2.349
  138   3HG2  ILE  19          3HG2      ILE  19   1.409  10.779  -1.395
  139   1HD1  ILE  19          1HD1      ILE  19   1.343  11.820   2.418
  140   2HD1  ILE  19          2HD1      ILE  19  -0.405  11.578   2.225
  141   3HD1  ILE  19          3HD1      ILE  19   0.732  10.586   1.282
  142    H    ALA  20           H        ALA  20   4.576  13.984  -0.826
  143    HA   ALA  20           HA       ALA  20   5.606  12.518  -3.070
  144   1HB   ALA  20          1HB       ALA  20   6.436  15.043  -1.637
  145   2HB   ALA  20          2HB       ALA  20   7.603  14.335  -2.770
  146   3HB   ALA  20          3HB       ALA  20   5.979  14.796  -3.339
  147    H    GLU  21           H        GLU  21   6.737  12.708   0.262
  148    HA   GLU  21           HA       GLU  21   9.409  11.520  -0.117
  149   1HB   GLU  21          1HB       GLU  21   7.697  11.967   2.370
  150   2HB   GLU  21          2HB       GLU  21   9.221  11.105   2.457
  151   1HG   GLU  21          1HG       GLU  21  10.210  13.293   1.225
  152   2HG   GLU  21          2HG       GLU  21   8.734  14.052   1.796
  153    H    PHE  22           H        PHE  22   6.205  10.269   0.701
  154    HA   PHE  22           HA       PHE  22   6.935   7.506   1.382
  155   1HB   PHE  22          1HB       PHE  22   4.292   8.720   0.401
  156   2HB   PHE  22          2HB       PHE  22   4.451   7.016   0.736
  157    HD1  PHE  22           HD1      PHE  22   6.364   7.287   3.224
  158    HD2  PHE  22           HD2      PHE  22   2.742   9.342   2.135
  159    HE1  PHE  22           HE1      PHE  22   5.900   7.747   5.594
  160    HE2  PHE  22           HE2      PHE  22   2.285   9.773   4.515
  161    HZ   PHE  22           HZ       PHE  22   3.872   9.001   6.245
  162    H    LYS  23           H        LYS  23   6.207   9.216  -1.614
  163    HA   LYS  23           HA       LYS  23   6.020   6.892  -3.442
  164   1HB   LYS  23          1HB       LYS  23   5.112   9.223  -3.945
  165   2HB   LYS  23          2HB       LYS  23   6.752   9.798  -4.161
  166   1HG   LYS  23          1HG       LYS  23   6.059   9.408  -6.361
  167   2HG   LYS  23          2HG       LYS  23   6.990   7.963  -6.018
  168   1HD   LYS  23          1HD       LYS  23   3.910   8.066  -5.779
  169   2HD   LYS  23          2HD       LYS  23   4.932   6.644  -5.636
  170   1HE   LYS  23          1HE       LYS  23   4.093   6.462  -7.845
  171   2HE   LYS  23          2HE       LYS  23   4.228   8.190  -8.179
  172   1HZ   LYS  23          1HZ       LYS  23   6.491   7.990  -8.584
  173   2HZ   LYS  23          2HZ       LYS  23   6.688   6.629  -7.669
  174   3HZ   LYS  23          3HZ       LYS  23   5.956   6.532  -9.146
  175    H    ALA  24           H        ALA  24   8.599   8.966  -2.218
  176    HA   ALA  24           HA       ALA  24  10.786   8.443  -3.979
  177   1HB   ALA  24          1HB       ALA  24  12.292   8.974  -2.072
  178   2HB   ALA  24          2HB       ALA  24  10.920  10.096  -2.137
  179   3HB   ALA  24          3HB       ALA  24  10.949   8.795  -0.919
  180    H    ALA  25           H        ALA  25   9.562   6.487  -1.279
  181    HA   ALA  25           HA       ALA  25  11.736   4.411  -1.463
  182   1HB   ALA  25          1HB       ALA  25  10.538   3.308   0.418
  183   2HB   ALA  25          2HB       ALA  25  10.837   5.021   0.764
  184   3HB   ALA  25          3HB       ALA  25   9.204   4.481   0.299
  185    H    PHE  26           H        PHE  26   8.383   4.875  -2.427
  186    HA   PHE  26           HA       PHE  26   7.590   2.124  -3.002
  187   1HB   PHE  26          1HB       PHE  26   6.531   4.602  -4.476
  188   2HB   PHE  26          2HB       PHE  26   6.083   4.236  -2.831
  189    HD1  PHE  26           HD1      PHE  26   5.225   1.600  -2.525
  190    HD2  PHE  26           HD2      PHE  26   5.137   3.814  -6.213
  191    HE1  PHE  26           HE1      PHE  26   3.381   0.188  -3.342
  192    HE2  PHE  26           HE2      PHE  26   3.308   2.377  -7.021
  193    HZ   PHE  26           HZ       PHE  26   2.441   0.553  -5.598
  194    H    ASP  27           H        ASP  27   9.412   4.548  -4.790
  195    HA   ASP  27           HA       ASP  27   9.356   3.218  -7.432
  196   1HB   ASP  27          1HB       ASP  27   9.819   5.731  -6.982
  197   2HB   ASP  27          2HB       ASP  27  11.447   5.271  -6.541
  198    H    MET  28           H        MET  28  11.535   3.220  -4.652
  199    HA   MET  28           HA       MET  28  13.903   1.998  -5.707
  200   1HB   MET  28          1HB       MET  28  13.893   0.781  -3.251
  201   2HB   MET  28          2HB       MET  28  12.678   2.009  -2.951
  202   1HG   MET  28          1HG       MET  28  15.644   2.378  -3.533
  203   2HG   MET  28          2HG       MET  28  14.537   3.673  -4.012
  204   1HE   MET  28          1HE       MET  28  13.044   1.727  -0.694
  205   2HE   MET  28          2HE       MET  28  14.562   0.985  -1.281
  206   3HE   MET  28          3HE       MET  28  14.546   1.867   0.274
  207    H    PHE  29           H        PHE  29  10.818   0.558  -4.786
  208    HA   PHE  29           HA       PHE  29  11.714  -2.274  -5.402
  209   1HB   PHE  29          1HB       PHE  29   8.933  -1.256  -4.528
  210   2HB   PHE  29          2HB       PHE  29   9.365  -2.926  -4.772
  211    HD1  PHE  29           HD1      PHE  29   8.818  -0.666  -2.227
  212    HD2  PHE  29           HD2      PHE  29  11.799  -3.536  -3.415
  213    HE1  PHE  29           HE1      PHE  29   9.549  -0.894   0.112
  214    HE2  PHE  29           HE2      PHE  29  12.523  -3.736  -1.072
  215    HZ   PHE  29           HZ       PHE  29  11.398  -2.427   0.693
  216    H    ASP  30           H        ASP  30   9.711   0.327  -6.693
  217    HA   ASP  30           HA       ASP  30   8.603  -1.253  -8.971
  218   1HB   ASP  30          1HB       ASP  30   7.562   0.890  -7.780
  219   2HB   ASP  30          2HB       ASP  30   8.554   1.792  -8.904
  220    H    ALA  31           H        ALA  31  10.273  -2.066 -10.124
  221    HA   ALA  31           HA       ALA  31  12.749  -0.623 -10.852
  222   1HB   ALA  31          1HB       ALA  31  13.262  -2.645 -12.227
  223   2HB   ALA  31          2HB       ALA  31  12.723  -3.082 -10.594
  224   3HB   ALA  31          3HB       ALA  31  11.614  -3.269 -11.977
  225    H    ASP  32           H        ASP  32   9.630  -1.172 -12.369
  226    HA   ASP  32           HA       ASP  32  10.457  -0.175 -15.093
  227   1HB   ASP  32          1HB       ASP  32   7.709  -0.283 -15.283
  228   2HB   ASP  32          2HB       ASP  32   7.961  -1.440 -13.996
  229    H    GLY  33           H        GLY  33   8.170   0.836 -12.526
  230   1HA   GLY  33          1HA       GLY  33   8.278   3.244 -11.637
  231   2HA   GLY  33          2HA       GLY  33   8.660   3.763 -13.282
  232    H    GLY  34           H        GLY  34   6.250   1.291 -12.636
  233   1HA   GLY  34          1HA       GLY  34   4.057   2.799 -14.018
  234   2HA   GLY  34          2HA       GLY  34   3.918   1.188 -13.307
  235    H    GLY  35           H        GLY  35   3.938   1.078 -10.906
  236   1HA   GLY  35          1HA       GLY  35   3.648   2.887  -8.838
  237   2HA   GLY  35          2HA       GLY  35   2.151   3.230  -9.710
  238    H    ASP  36           H        ASP  36   3.809   0.123  -9.240
  239    HA   ASP  36           HA       ASP  36   1.747  -0.963  -7.334
  240   1HB   ASP  36          1HB       ASP  36   1.311  -2.947  -9.068
  241   2HB   ASP  36          2HB       ASP  36   1.723  -1.751 -10.274
  242    H    ILE  37           H        ILE  37   2.339  -2.980  -6.493
  243    HA   ILE  37           HA       ILE  37   5.000  -4.248  -7.245
  244    HB   ILE  37           HB       ILE  37   5.115  -4.111  -4.408
  245   1HG1  ILE  37          1HG1      ILE  37   3.591  -1.972  -4.748
  246   2HG1  ILE  37          2HG1      ILE  37   4.999  -1.227  -5.472
  247   1HG2  ILE  37          1HG2      ILE  37   7.332  -3.041  -4.823
  248   2HG2  ILE  37          2HG2      ILE  37   7.052  -4.337  -5.995
  249   3HG2  ILE  37          3HG2      ILE  37   6.867  -2.639  -6.494
  250   1HD1  ILE  37          1HD1      ILE  37   6.329  -1.429  -3.393
  251   2HD1  ILE  37          2HD1      ILE  37   4.782  -0.614  -3.072
  252   3HD1  ILE  37          3HD1      ILE  37   4.999  -2.315  -2.598
  253    H    SER  38           H        SER  38   5.219  -6.064  -5.303
  254    HA   SER  38           HA       SER  38   2.782  -7.820  -5.578
  255   1HB   SER  38          1HB       SER  38   5.049  -8.823  -3.909
  256   2HB   SER  38          2HB       SER  38   5.499  -8.372  -5.556
  257    HG   SER  38           HG       SER  38   4.758 -10.290  -5.908
  258    H    THR  39           H        THR  39   1.763  -8.791  -3.777
  259    HA   THR  39           HA       THR  39   1.261  -6.933  -1.475
  260    HB   THR  39           HB       THR  39  -0.723  -7.950  -1.131
  261    HG1  THR  39           HG1      THR  39  -1.062 -10.104  -1.180
  262   1HG2  THR  39          1HG2      THR  39  -1.813  -8.850  -3.139
  263   2HG2  THR  39          2HG2      THR  39  -0.745  -7.512  -3.624
  264   3HG2  THR  39          3HG2      THR  39  -0.248  -9.202  -3.907
  265    H    LYS  40           H        LYS  40   2.866  -9.998  -2.113
  266    HA   LYS  40           HA       LYS  40   3.367 -10.925   0.609
  267   1HB   LYS  40          1HB       LYS  40   3.961 -11.918  -1.908
  268   2HB   LYS  40          2HB       LYS  40   5.556 -11.392  -1.415
  269   1HG   LYS  40          1HG       LYS  40   5.695 -12.960   0.350
  270   2HG   LYS  40          2HG       LYS  40   3.958 -13.077   0.552
  271   1HD   LYS  40          1HD       LYS  40   4.328 -15.145  -0.459
  272   2HD   LYS  40          2HD       LYS  40   4.029 -14.177  -1.894
  273   1HE   LYS  40          1HE       LYS  40   6.806 -14.970  -0.828
  274   2HE   LYS  40          2HE       LYS  40   6.017 -15.617  -2.268
  275   1HZ   LYS  40          1HZ       LYS  40   6.080 -13.307  -3.188
  276   2HZ   LYS  40          2HZ       LYS  40   6.948 -12.814  -1.871
  277   3HZ   LYS  40          3HZ       LYS  40   7.581 -13.938  -2.903
  278    H    GLU  41           H        GLU  41   4.941  -8.559  -1.475
  279    HA   GLU  41           HA       GLU  41   7.235  -8.086   0.428
  280   1HB   GLU  41          1HB       GLU  41   8.245  -6.727  -1.260
  281   2HB   GLU  41          2HB       GLU  41   6.744  -6.514  -2.139
  282   1HG   GLU  41          1HG       GLU  41   6.827  -9.120  -2.577
  283   2HG   GLU  41          2HG       GLU  41   7.894  -8.065  -3.488
  284    H    LEU  42           H        LEU  42   4.230  -6.600  -0.615
  285    HA   LEU  42           HA       LEU  42   4.278  -3.924   0.062
  286   1HB   LEU  42          1HB       LEU  42   2.180  -4.628  -0.658
  287   2HB   LEU  42          2HB       LEU  42   2.145  -6.035   0.385
  288    HG   LEU  42           HG       LEU  42   1.647  -4.579   2.380
  289   1HD1  LEU  42          1HD1      LEU  42   1.054  -2.159   2.062
  290   2HD1  LEU  42          2HD1      LEU  42   2.756  -2.460   1.677
  291   3HD1  LEU  42          3HD1      LEU  42   1.577  -2.240   0.360
  292   1HD2  LEU  42          1HD2      LEU  42  -0.316  -4.137   0.029
  293   2HD2  LEU  42          2HD2      LEU  42  -0.271  -5.559   1.102
  294   3HD2  LEU  42          3HD2      LEU  42  -0.701  -3.970   1.762
  295    H    GLY  43           H        GLY  43   4.220  -6.622   2.366
  296   1HA   GLY  43          1HA       GLY  43   4.427  -6.697   4.811
  297   2HA   GLY  43          2HA       GLY  43   3.920  -5.006   4.839
  298    H    THR  44           H        THR  44   6.708  -6.676   3.307
  299    HA   THR  44           HA       THR  44   8.866  -5.849   4.882
  300    HB   THR  44           HB       THR  44   8.690  -6.343   1.919
  301    HG1  THR  44           HG1      THR  44   8.955  -8.040   3.257
  302   1HG2  THR  44          1HG2      THR  44  11.142  -5.977   1.617
  303   2HG2  THR  44          2HG2      THR  44  10.298  -4.444   1.923
  304   3HG2  THR  44          3HG2      THR  44  11.242  -5.214   3.223
  305    H    VAL  45           H        VAL  45   6.884  -3.946   2.707
  306    HA   VAL  45           HA       VAL  45   8.653  -1.549   2.587
  307    HB   VAL  45           HB       VAL  45   5.756  -1.884   1.654
  308   1HG1  VAL  45          1HG1      VAL  45   8.304  -1.832  -0.080
  309   2HG1  VAL  45          2HG1      VAL  45   7.511  -3.325   0.436
  310   3HG1  VAL  45          3HG1      VAL  45   6.635  -2.179  -0.604
  311   1HG2  VAL  45          1HG2      VAL  45   5.962   0.196   0.394
  312   2HG2  VAL  45          2HG2      VAL  45   6.423   0.580   2.068
  313   3HG2  VAL  45          3HG2      VAL  45   7.678   0.386   0.837
  314    H    MET  46           H        MET  46   5.675  -2.535   4.276
  315    HA   MET  46           HA       MET  46   5.198  -0.092   5.832
  316   1HB   MET  46          1HB       MET  46   3.444  -1.200   6.706
  317   2HB   MET  46          2HB       MET  46   3.818  -2.453   5.536
  318   1HG   MET  46          1HG       MET  46   4.904  -2.481   8.425
  319   2HG   MET  46          2HG       MET  46   5.040  -3.785   7.234
  320   1HE   MET  46          1HE       MET  46   1.422  -1.655   7.504
  321   2HE   MET  46          2HE       MET  46   1.094  -2.250   9.159
  322   3HE   MET  46          3HE       MET  46   2.569  -1.295   8.832
  323    NH1  ARG  47           NH1      ARG  47  13.965  -5.806   8.116
  324    NH2  ARG  47           NH2      ARG  47  13.644  -7.021  10.009
  325    H    ARG  47           H        ARG  47   7.583  -2.611   6.067
  326    HA   ARG  47           HA       ARG  47   8.277  -2.055   8.983
  327   1HB   ARG  47          1HB       ARG  47   8.118  -4.447   8.083
  328   2HB   ARG  47          2HB       ARG  47   9.507  -4.108   7.060
  329   1HG   ARG  47          1HG       ARG  47   9.945  -3.462   9.966
  330   2HG   ARG  47          2HG       ARG  47   9.670  -5.171   9.618
  331   1HD   ARG  47          1HD       ARG  47  11.927  -3.371   8.582
  332   2HD   ARG  47          2HD       ARG  47  11.484  -4.811   7.669
  333    HE   ARG  47           HE       ARG  47  12.061  -5.228  10.615
  334   1HH1  ARG  47          1HH1      ARG  47  14.785  -6.404   7.964
  335   2HH1  ARG  47          2HH1      ARG  47  13.622  -5.063   7.496
  336   1HH2  ARG  47          1HH2      ARG  47  13.054  -7.209  10.827
  337   2HH2  ARG  47          2HH2      ARG  47  14.489  -7.532   9.730
  338    H    MET  48           H        MET  48   9.407  -1.565   5.692
  339    HA   MET  48           HA       MET  48  12.112  -0.500   6.512
  340   1HB   MET  48          1HB       MET  48  11.872  -1.888   4.436
  341   2HB   MET  48          2HB       MET  48  10.804  -0.686   3.735
  342   1HG   MET  48          1HG       MET  48  13.173  -0.593   2.850
  343   2HG   MET  48          2HG       MET  48  12.614   0.953   3.506
  344   1HE   MET  48          1HE       MET  48  15.468  -2.073   4.290
  345   2HE   MET  48          2HE       MET  48  15.320  -0.930   2.923
  346   3HE   MET  48          3HE       MET  48  16.525  -0.630   4.208
  347    H    LEU  49           H        LEU  49   9.273   0.765   7.055
  348    HA   LEU  49           HA       LEU  49   9.922   3.607   6.115
  349   1HB   LEU  49          1HB       LEU  49   7.509   4.036   7.077
  350   2HB   LEU  49          2HB       LEU  49   7.323   2.296   7.069
  351    HG   LEU  49           HG       LEU  49   8.015   2.443   4.501
  352   1HD1  LEU  49          1HD1      LEU  49   6.985   5.325   4.895
  353   2HD1  LEU  49          2HD1      LEU  49   8.684   4.904   4.612
  354   3HD1  LEU  49          3HD1      LEU  49   7.466   4.560   3.359
  355   1HD2  LEU  49          1HD2      LEU  49   5.653   2.629   3.844
  356   2HD2  LEU  49          2HD2      LEU  49   5.697   1.819   5.429
  357   3HD2  LEU  49          3HD2      LEU  49   5.246   3.528   5.328
  358    H    GLY  50           H        GLY  50   9.291   1.505   8.883
  359   1HA   GLY  50          1HA       GLY  50  11.040   2.293  10.867
  360   2HA   GLY  50          2HA       GLY  50   9.982   3.708  10.867
  361    H    GLN  51           H        GLN  51   9.360   0.209  10.544
  362    HA   GLN  51           HA       GLN  51   7.446   0.290  12.947
  363   1HB   GLN  51          1HB       GLN  51   6.495   0.224  10.353
  364   2HB   GLN  51          2HB       GLN  51   6.687  -1.495  10.650
  365   1HG   GLN  51          1HG       GLN  51   4.378  -0.632  11.166
  366   2HG   GLN  51          2HG       GLN  51   5.120  -1.498  12.496
  367   1HE2  GLN  51          1HE2      GLN  51   4.078   2.454  12.968
  368   2HE2  GLN  51          2HE2      GLN  51   3.795   1.513  11.419
  369    H    ASN  52           H        ASN  52   6.915  -2.006  13.605
  370    HA   ASN  52           HA       ASN  52   9.373  -3.796  13.411
  371   1HB   ASN  52          1HB       ASN  52   8.040  -3.507  16.111
  372   2HB   ASN  52          2HB       ASN  52   9.018  -2.165  15.560
  373   1HD2  ASN  52          1HD2      ASN  52  10.744  -5.643  16.938
  374   2HD2  ASN  52          2HD2      ASN  52   8.934  -5.470  16.693
  375    HA   PRO  53           HA       PRO  53   5.112  -6.216  13.469
  376   1HB   PRO  53          1HB       PRO  53   4.637  -6.764  10.813
  377   2HB   PRO  53          2HB       PRO  53   4.142  -5.264  11.612
  378   1HG   PRO  53          1HG       PRO  53   6.612  -5.711   9.866
  379   2HG   PRO  53          2HG       PRO  53   5.437  -4.378   9.778
  380   1HD   PRO  53          1HD       PRO  53   6.455  -3.241  11.617
  381   2HD   PRO  53          2HD       PRO  53   7.881  -4.208  11.134
  382    H    THR  54           H        THR  54   4.996  -8.464  13.378
  383    HA   THR  54           HA       THR  54   7.592  -9.963  13.046
  384    HB   THR  54           HB       THR  54   5.188 -11.553  13.801
  385    HG1  THR  54           HG1      THR  54   6.212  -9.863  15.761
  386   1HG2  THR  54          1HG2      THR  54   6.667 -12.415  15.587
  387   2HG2  THR  54          2HG2      THR  54   7.510 -12.488  14.023
  388   3HG2  THR  54          3HG2      THR  54   7.916 -11.209  15.196
  389    H    LYS  55           H        LYS  55   7.548 -12.076  11.933
  390    HA   LYS  55           HA       LYS  55   6.831 -11.725   9.085
  391   1HB   LYS  55          1HB       LYS  55   7.954 -13.754   8.646
  392   2HB   LYS  55          2HB       LYS  55   7.564 -14.465  10.197
  393   1HG   LYS  55          1HG       LYS  55   9.277 -13.202  11.342
  394   2HG   LYS  55          2HG       LYS  55   9.447 -12.053  10.031
  395   1HD   LYS  55          1HD       LYS  55  10.685 -14.788  10.354
  396   2HD   LYS  55          2HD       LYS  55  10.116 -14.426   8.733
  397   1HE   LYS  55          1HE       LYS  55  11.448 -12.126   9.014
  398   2HE   LYS  55          2HE       LYS  55  12.306 -12.970  10.305
  399   1HZ   LYS  55          1HZ       LYS  55  12.537 -14.799   8.430
  400   2HZ   LYS  55          2HZ       LYS  55  12.313 -13.513   7.417
  401   3HZ   LYS  55          3HZ       LYS  55  13.570 -13.511   8.489
  402    H    GLU  56           H        GLU  56   5.517 -13.529  11.829
  403    HA   GLU  56           HA       GLU  56   3.551 -15.172  10.368
  404   1HB   GLU  56          1HB       GLU  56   2.978 -16.080  12.361
  405   2HB   GLU  56          2HB       GLU  56   4.514 -15.389  12.845
  406   1HG   GLU  56          1HG       GLU  56   3.457 -13.569  14.057
  407   2HG   GLU  56          2HG       GLU  56   1.911 -13.811  13.261
  408    H    GLU  57           H        GLU  57   3.555 -11.953  11.796
  409    HA   GLU  57           HA       GLU  57   0.632 -11.447  11.666
  410   1HB   GLU  57          1HB       GLU  57   1.072  -9.196  12.317
  411   2HB   GLU  57          2HB       GLU  57   2.723  -9.230  11.733
  412   1HG   GLU  57          1HG       GLU  57   3.486 -10.586  13.606
  413   2HG   GLU  57          2HG       GLU  57   1.852 -11.044  14.057
  414    H    LEU  58           H        LEU  58   3.406 -10.977   9.545
  415    HA   LEU  58           HA       LEU  58   2.196  -9.320   7.467
  416   1HB   LEU  58          1HB       LEU  58   4.684  -9.852   7.724
  417   2HB   LEU  58          2HB       LEU  58   4.379 -11.449   7.074
  418    HG   LEU  58           HG       LEU  58   5.210  -9.339   5.555
  419   1HD1  LEU  58          1HD1      LEU  58   4.443 -10.620   3.530
  420   2HD1  LEU  58          2HD1      LEU  58   5.127 -11.698   4.755
  421   3HD1  LEU  58          3HD1      LEU  58   3.361 -11.603   4.549
  422   1HD2  LEU  58          1HD2      LEU  58   2.140  -9.285   5.181
  423   2HD2  LEU  58          2HD2      LEU  58   3.129  -7.975   5.872
  424   3HD2  LEU  58          3HD2      LEU  58   3.336  -8.432   4.172
  425    H    ASP  59           H        ASP  59   2.169 -12.776   8.136
  426    HA   ASP  59           HA       ASP  59   0.959 -13.718   5.636
  427   1HB   ASP  59          1HB       ASP  59   1.170 -15.004   8.403
  428   2HB   ASP  59          2HB       ASP  59   0.242 -15.760   7.128
  429    H    ALA  60           H        ALA  60  -0.361 -12.623   8.738
  430    HA   ALA  60           HA       ALA  60  -3.156 -13.425   8.324
  431   1HB   ALA  60          1HB       ALA  60  -3.663 -11.944  10.261
  432   2HB   ALA  60          2HB       ALA  60  -2.253 -12.971  10.584
  433   3HB   ALA  60          3HB       ALA  60  -2.027 -11.246  10.197
  434    H    ILE  61           H        ILE  61  -1.548 -10.230   8.087
  435    HA   ILE  61           HA       ILE  61  -3.652  -8.585   7.179
  436    HB   ILE  61           HB       ILE  61  -0.675  -8.434   6.802
  437   1HG1  ILE  61          1HG1      ILE  61  -2.221  -7.448   8.789
  438   2HG1  ILE  61          2HG1      ILE  61  -2.490  -6.128   7.671
  439   1HG2  ILE  61          1HG2      ILE  61  -0.802  -6.387   5.357
  440   2HG2  ILE  61          2HG2      ILE  61  -1.458  -7.788   4.511
  441   3HG2  ILE  61          3HG2      ILE  61  -2.566  -6.582   5.206
  442   1HD1  ILE  61          1HD1      ILE  61  -0.078  -5.568   7.560
  443   2HD1  ILE  61          2HD1      ILE  61  -0.636  -5.616   9.246
  444   3HD1  ILE  61          3HD1      ILE  61   0.318  -6.969   8.594
  445    H    ILE  62           H        ILE  62  -1.667 -10.927   5.444
  446    HA   ILE  62           HA       ILE  62  -2.494 -10.223   2.680
  447    HB   ILE  62           HB       ILE  62  -0.649 -12.124   3.910
  448   1HG1  ILE  62          1HG1      ILE  62   0.096 -12.049   1.248
  449   2HG1  ILE  62          2HG1      ILE  62  -0.902 -10.611   1.290
  450   1HG2  ILE  62          1HG2      ILE  62  -0.820 -14.016   2.273
  451   2HG2  ILE  62          2HG2      ILE  62  -2.290 -13.905   3.238
  452   3HG2  ILE  62          3HG2      ILE  62  -2.289 -13.299   1.566
  453   1HD1  ILE  62          1HD1      ILE  62   1.567 -11.050   3.071
  454   2HD1  ILE  62          2HD1      ILE  62   1.399  -9.942   1.693
  455   3HD1  ILE  62          3HD1      ILE  62   0.468  -9.647   3.180
  456    H    GLU  63           H        GLU  63  -3.494 -12.629   5.101
  457    HA   GLU  63           HA       GLU  63  -5.612 -13.983   3.647
  458   1HB   GLU  63          1HB       GLU  63  -5.652 -13.362   6.646
  459   2HB   GLU  63          2HB       GLU  63  -4.686 -14.634   5.925
  460   1HG   GLU  63          1HG       GLU  63  -6.949 -15.333   6.972
  461   2HG   GLU  63          2HG       GLU  63  -7.755 -14.513   5.644
  462    H    GLU  64           H        GLU  64  -5.444 -10.823   5.162
  463    HA   GLU  64           HA       GLU  64  -8.325 -10.241   5.306
  464   1HB   GLU  64          1HB       GLU  64  -6.235  -9.112   6.520
  465   2HB   GLU  64          2HB       GLU  64  -6.265  -8.017   5.152
  466   1HG   GLU  64          1HG       GLU  64  -8.443  -8.433   7.279
  467   2HG   GLU  64          2HG       GLU  64  -7.533  -6.973   6.930
  468    H    VAL  65           H        VAL  65  -5.836  -8.707   3.240
  469    HA   VAL  65           HA       VAL  65  -7.705  -7.360   1.450
  470    HB   VAL  65           HB       VAL  65  -5.142  -6.911   1.854
  471   1HG1  VAL  65          1HG1      VAL  65  -3.630  -7.691   0.020
  472   2HG1  VAL  65          2HG1      VAL  65  -4.244  -9.066   0.957
  473   3HG1  VAL  65          3HG1      VAL  65  -4.924  -8.715  -0.651
  474   1HG2  VAL  65          1HG2      VAL  65  -6.395  -6.451  -0.941
  475   2HG2  VAL  65          2HG2      VAL  65  -6.573  -5.393   0.480
  476   3HG2  VAL  65          3HG2      VAL  65  -4.986  -5.589  -0.276
  477    H    ASP  66           H        ASP  66  -5.663 -10.266   0.909
  478    HA   ASP  66           HA       ASP  66  -7.364 -11.123  -1.439
  479   1HB   ASP  66          1HB       ASP  66  -4.998 -12.758  -0.431
  480   2HB   ASP  66          2HB       ASP  66  -4.705 -11.238  -1.245
  481    H    GLU  67           H        GLU  67  -9.042 -11.170   0.443
  482    HA   GLU  67           HA       GLU  67  -9.258 -13.696   2.021
  483   1HB   GLU  67          1HB       GLU  67 -11.330 -12.955   2.812
  484   2HB   GLU  67          2HB       GLU  67 -10.374 -11.495   2.652
  485   1HG   GLU  67          1HG       GLU  67 -11.662 -10.674   0.811
  486   2HG   GLU  67          2HG       GLU  67 -12.228 -12.270   0.347
  487    H    ASP  68           H        ASP  68 -10.437 -12.436  -1.069
  488    HA   ASP  68           HA       ASP  68 -10.635 -15.202  -2.222
  489   1HB   ASP  68          1HB       ASP  68 -13.215 -13.633  -2.529
  490   2HB   ASP  68          2HB       ASP  68 -12.947 -14.487  -1.026
  491    H    GLY  69           H        GLY  69 -10.096 -15.158  -4.295
  492   1HA   GLY  69          1HA       GLY  69 -10.640 -12.865  -6.167
  493   2HA   GLY  69          2HA       GLY  69  -9.805 -14.365  -6.582
  494    H    SER  70           H        SER  70  -8.053 -13.535  -7.543
  495    HA   SER  70           HA       SER  70  -5.759 -12.591  -5.912
  496   1HB   SER  70          1HB       SER  70  -5.064 -13.955  -7.665
  497   2HB   SER  70          2HB       SER  70  -4.678 -12.351  -8.294
  498    HG   SER  70           HG       SER  70  -7.035 -12.584  -9.102
  499    H    GLY  71           H        GLY  71  -4.458 -10.678  -6.987
  500   1HA   GLY  71          1HA       GLY  71  -6.053  -8.158  -6.602
  501   2HA   GLY  71          2HA       GLY  71  -5.534  -8.382  -8.276
  502    H    THR  72           H        THR  72  -4.360  -6.406  -7.872
  503    HA   THR  72           HA       THR  72  -1.534  -6.981  -6.947
  504    HB   THR  72           HB       THR  72  -0.732  -5.157  -8.287
  505    HG1  THR  72           HG1      THR  72  -2.436  -4.128  -9.650
  506   1HG2  THR  72          1HG2      THR  72  -0.838  -6.962  -9.811
  507   2HG2  THR  72          2HG2      THR  72  -2.614  -7.022  -9.816
  508   3HG2  THR  72          3HG2      THR  72  -1.761  -5.708 -10.668
  509    H    ILE  73           H        ILE  73  -0.635  -4.404  -6.487
  510    HA   ILE  73           HA       ILE  73  -2.404  -3.175  -4.376
  511    HB   ILE  73           HB       ILE  73   0.230  -4.500  -3.779
  512   1HG1  ILE  73          1HG1      ILE  73  -0.992  -5.091  -1.623
  513   2HG1  ILE  73          2HG1      ILE  73  -1.652  -5.764  -3.102
  514   1HG2  ILE  73          1HG2      ILE  73   0.692  -3.189  -1.741
  515   2HG2  ILE  73          2HG2      ILE  73   0.705  -2.100  -3.135
  516   3HG2  ILE  73          3HG2      ILE  73  -0.700  -2.123  -2.042
  517   1HD1  ILE  73          1HD1      ILE  73  -3.655  -4.547  -2.986
  518   2HD1  ILE  73          2HD1      ILE  73  -3.264  -4.670  -1.257
  519   3HD1  ILE  73          3HD1      ILE  73  -2.907  -3.165  -2.138
  520    H    ASP  74           H        ASP  74  -2.428  -1.064  -4.528
  521    HA   ASP  74           HA       ASP  74  -0.381   0.346  -6.312
  522   1HB   ASP  74          1HB       ASP  74  -2.345   2.177  -6.314
  523   2HB   ASP  74          2HB       ASP  74  -2.276   0.852  -7.453
  524    H    PHE  75           H        PHE  75  -0.461   2.843  -5.724
  525    HA   PHE  75           HA       PHE  75   0.872   3.062  -3.064
  526   1HB   PHE  75          1HB       PHE  75   0.292   5.208  -5.190
  527   2HB   PHE  75          2HB       PHE  75   1.748   4.253  -5.082
  528    HD1  PHE  75           HD1      PHE  75   3.366   4.656  -3.122
  529    HD2  PHE  75           HD2      PHE  75  -0.119   7.119  -3.678
  530    HE1  PHE  75           HE1      PHE  75   4.372   6.413  -1.724
  531    HE2  PHE  75           HE2      PHE  75   0.909   8.868  -2.282
  532    HZ   PHE  75           HZ       PHE  75   3.134   8.506  -1.276
  533    H    GLU  76           H        GLU  76  -2.267   3.755  -4.452
  534    HA   GLU  76           HA       GLU  76  -3.348   5.583  -2.439
  535   1HB   GLU  76          1HB       GLU  76  -5.613   4.295  -3.270
  536   2HB   GLU  76          2HB       GLU  76  -4.542   3.835  -4.578
  537   1HG   GLU  76          1HG       GLU  76  -3.994   6.468  -4.703
  538   2HG   GLU  76          2HG       GLU  76  -5.419   5.793  -5.473
  539    H    GLU  77           H        GLU  77  -4.261   2.161  -2.871
  540    HA   GLU  77           HA       GLU  77  -5.272   1.552  -0.254
  541   1HB   GLU  77          1HB       GLU  77  -4.282  -0.873  -0.772
  542   2HB   GLU  77          2HB       GLU  77  -3.961  -0.200  -2.358
  543   1HG   GLU  77          1HG       GLU  77  -6.566   0.534  -2.242
  544   2HG   GLU  77          2HG       GLU  77  -6.071  -1.065  -2.770
  545    H    PHE  78           H        PHE  78  -1.964   1.806  -1.423
  546    HA   PHE  78           HA       PHE  78  -0.514   0.501   0.716
  547   1HB   PHE  78          1HB       PHE  78   0.719   0.958  -1.257
  548   2HB   PHE  78          2HB       PHE  78   0.258   2.638  -1.317
  549    HD1  PHE  78           HD1      PHE  78   2.654   0.195   0.063
  550    HD2  PHE  78           HD2      PHE  78   1.387   4.299   0.308
  551    HE1  PHE  78           HE1      PHE  78   4.784   0.799   1.138
  552    HE2  PHE  78           HE2      PHE  78   3.535   4.889   1.357
  553    HZ   PHE  78           HZ       PHE  78   5.247   3.150   1.746
  554    H    LEU  79           H        LEU  79  -1.503   3.901   0.302
  555    HA   LEU  79           HA       LEU  79  -0.429   4.946   2.847
  556   1HB   LEU  79          1HB       LEU  79  -2.665   6.023   1.030
  557   2HB   LEU  79          2HB       LEU  79  -2.079   6.865   2.447
  558    HG   LEU  79           HG       LEU  79  -0.240   6.106   0.096
  559   1HD1  LEU  79          1HD1      LEU  79   0.179   8.212   2.311
  560   2HD1  LEU  79          2HD1      LEU  79   0.890   6.588   2.332
  561   3HD1  LEU  79          3HD1      LEU  79   1.346   7.738   1.051
  562   1HD2  LEU  79          1HD2      LEU  79  -0.501   8.380  -0.799
  563   2HD2  LEU  79          2HD2      LEU  79  -2.135   7.694  -0.622
  564   3HD2  LEU  79          3HD2      LEU  79  -1.540   8.865   0.565
  565    H    VAL  80           H        VAL  80  -3.395   3.342   1.858
  566    HA   VAL  80           HA       VAL  80  -5.095   4.032   4.136
  567    HB   VAL  80           HB       VAL  80  -5.295   1.675   2.196
  568   1HG1  VAL  80          1HG1      VAL  80  -7.043   4.210   2.315
  569   2HG1  VAL  80          2HG1      VAL  80  -5.631   4.062   1.261
  570   3HG1  VAL  80          3HG1      VAL  80  -7.010   2.960   1.044
  571   1HG2  VAL  80          1HG2      VAL  80  -7.578   1.239   2.972
  572   2HG2  VAL  80          2HG2      VAL  80  -6.519   1.149   4.399
  573   3HG2  VAL  80          3HG2      VAL  80  -7.516   2.588   4.134
  574    H    MET  81           H        MET  81  -2.730   1.489   3.518
  575    HA   MET  81           HA       MET  81  -3.352  -0.238   5.830
  576   1HB   MET  81          1HB       MET  81  -1.288  -1.447   5.336
  577   2HB   MET  81          2HB       MET  81  -0.655  -0.122   4.377
  578   1HG   MET  81          1HG       MET  81  -2.137  -0.561   2.526
  579   2HG   MET  81          2HG       MET  81  -1.578  -2.150   3.072
  580   1HE   MET  81          1HE       MET  81  -5.134  -3.051   1.976
  581   2HE   MET  81          2HE       MET  81  -3.433  -2.799   1.485
  582   3HE   MET  81          3HE       MET  81  -3.832  -4.037   2.712
  583    H    MET  82           H        MET  82  -0.778   2.158   5.191
  584    HA   MET  82           HA       MET  82   0.600   1.928   7.769
  585   1HB   MET  82          1HB       MET  82   0.700   3.909   5.481
  586   2HB   MET  82          2HB       MET  82   1.323   4.448   7.029
  587   1HG   MET  82          1HG       MET  82   2.287   1.866   5.641
  588   2HG   MET  82          2HG       MET  82   3.074   3.443   5.472
  589   1HE   MET  82          1HE       MET  82   3.754   4.929   7.327
  590   2HE   MET  82          2HE       MET  82   2.937   4.623   8.888
  591   3HE   MET  82          3HE       MET  82   4.689   4.309   8.723
  592    H    VAL  83           H        VAL  83  -2.121   3.839   6.623
  593    HA   VAL  83           HA       VAL  83  -2.303   5.675   8.965
  594    HB   VAL  83           HB       VAL  83  -4.151   5.130   6.611
  595   1HG1  VAL  83          1HG1      VAL  83  -2.870   7.780   7.526
  596   2HG1  VAL  83          2HG1      VAL  83  -2.103   6.683   6.369
  597   3HG1  VAL  83          3HG1      VAL  83  -3.667   7.431   5.970
  598   1HG2  VAL  83          1HG2      VAL  83  -5.813   6.738   7.393
  599   2HG2  VAL  83          2HG2      VAL  83  -5.623   5.543   8.696
  600   3HG2  VAL  83          3HG2      VAL  83  -4.861   7.133   8.847
  601    NH1  ARG  84           NH1      ARG  84  -9.689  -0.768   7.545
  602    NH2  ARG  84           NH2      ARG  84  -8.582  -1.182   5.605
  603    H    ARG  84           H        ARG  84  -3.632   2.565   7.966
  604    HA   ARG  84           HA       ARG  84  -5.701   2.114   9.955
  605   1HB   ARG  84          1HB       ARG  84  -4.079  -0.312   9.296
  606   2HB   ARG  84          2HB       ARG  84  -4.578   0.608   7.884
  607   1HG   ARG  84          1HG       ARG  84  -6.245  -1.142   8.414
  608   2HG   ARG  84          2HG       ARG  84  -6.472  -0.502  10.043
  609   1HD   ARG  84          1HD       ARG  84  -8.222   0.694   9.155
  610   2HD   ARG  84          2HD       ARG  84  -6.991   1.792   8.535
  611    HE   ARG  84           HE       ARG  84  -7.351   0.929   6.298
  612   1HH1  ARG  84          1HH1      ARG  84  -9.284  -1.915   5.453
  613   2HH1  ARG  84          2HH1      ARG  84  -7.826  -0.913   4.966
  614   1HH2  ARG  84          1HH2      ARG  84  -9.678  -0.322   8.469
  615   2HH2  ARG  84          2HH2      ARG  84 -10.417  -1.387   7.169
  616    H    GLN  85           H        GLN  85  -2.242   1.175  10.020
  617    HA   GLN  85           HA       GLN  85  -2.314   0.068  12.776
  618   1HB   GLN  85          1HB       GLN  85  -0.551  -0.184  10.640
  619   2HB   GLN  85          2HB       GLN  85   0.342   0.918  11.672
  620   1HG   GLN  85          1HG       GLN  85   0.430  -0.652  13.513
  621   2HG   GLN  85          2HG       GLN  85  -0.813  -1.679  12.828
  622   1HE2  GLN  85          1HE2      GLN  85   1.912  -3.720  11.666
  623   2HE2  GLN  85          2HE2      GLN  85   0.410  -3.554  12.707
  624    H    MET  86           H        MET  86  -1.488   3.155  11.291
  625    HA   MET  86           HA       MET  86   0.055   4.479  13.320
  626   1HB   MET  86          1HB       MET  86  -1.658   5.414  11.050
  627   2HB   MET  86          2HB       MET  86  -1.516   6.572  12.360
  628   1HG   MET  86          1HG       MET  86   0.321   6.272  10.273
  629   2HG   MET  86          2HG       MET  86   1.122   5.379  11.575
  630   1HE   MET  86          1HE       MET  86   2.689   7.734  13.736
  631   2HE   MET  86          2HE       MET  86   1.182   7.122  14.478
  632   3HE   MET  86          3HE       MET  86   2.137   6.063  13.400
  633    H    LYS  87           H        LYS  87  -3.407   3.883  13.085
  634    HA   LYS  87           HA       LYS  87  -4.283   5.518  15.387
  635   1HB   LYS  87          1HB       LYS  87  -5.734   4.479  13.438
  636   2HB   LYS  87          2HB       LYS  87  -5.786   3.028  14.416
  637   1HG   LYS  87          1HG       LYS  87  -6.735   4.502  16.338
  638   2HG   LYS  87          2HG       LYS  87  -7.783   4.142  14.980
  639   1HD   LYS  87          1HD       LYS  87  -7.378   6.686  16.041
  640   2HD   LYS  87          2HD       LYS  87  -6.195   6.694  14.743
  641   1HE   LYS  87          1HE       LYS  87  -7.823   6.465  13.013
  642   2HE   LYS  87          2HE       LYS  87  -9.062   5.824  14.094
  643   1HZ   LYS  87          1HZ       LYS  87  -9.313   8.214  13.390
  644   2HZ   LYS  87          2HZ       LYS  87  -9.394   7.975  15.022
  645   3HZ   LYS  87          3HZ       LYS  87  -8.024   8.603  14.346
  646    H    GLU  88           H        GLU  88  -4.321   1.948  15.106
  647    HA   GLU  88           HA       GLU  88  -4.129   0.226  16.787
  648   1HB   GLU  88          1HB       GLU  88  -1.786   0.642  16.227
  649   2HB   GLU  88          2HB       GLU  88  -1.682   1.972  17.362
  650   1HG   GLU  88          1HG       GLU  88  -0.870   0.483  18.884
  651   2HG   GLU  88          2HG       GLU  88  -2.495  -0.167  19.026
  652    H    ASP  89           H        ASP  89  -6.162   1.453  17.571
  653    HA   ASP  89           HA       ASP  89  -6.228   3.229  19.841
  654   1HB   ASP  89          1HB       ASP  89  -8.233   2.651  18.407
  655   2HB   ASP  89          2HB       ASP  89  -8.339   1.096  19.199
  656    H    ALA  90           H        ALA  90  -7.296  -0.139  20.197
  657    HA   ALA  90           HA       ALA  90  -5.328  -0.946  22.252
  658   1HB   ALA  90          1HB       ALA  90  -6.858   0.813  23.510
  659   2HB   ALA  90          2HB       ALA  90  -8.103  -0.451  23.477
  660   3HB   ALA  90          3HB       ALA  90  -6.559  -0.749  24.313
   
  Start of MODEL           5
 Raw file had  660 H/Q atoms
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1 -23.758  -3.621   5.253
    2   2H    ALA   1          2H        ALA   1 -22.108  -3.325   5.121
    3   3H    ALA   1          3H        ALA   1 -22.817  -3.475   6.639
    4    HA   ALA   1           HA       ALA   1 -23.590  -1.394   4.696
    5   1HB   ALA   1          1HB       ALA   1 -23.921  -1.289   7.742
    6   2HB   ALA   1          2HB       ALA   1 -24.814  -0.393   6.499
    7   3HB   ALA   1          3HB       ALA   1 -25.117  -2.134   6.731
    8    H    SER   2           H        SER   2 -23.003   0.689   6.501
    9    HA   SER   2           HA       SER   2 -21.243   2.106   7.356
   10   1HB   SER   2          1HB       SER   2 -20.448  -0.466   8.128
   11   2HB   SER   2          2HB       SER   2 -19.033   0.124   7.252
   12    HG   SER   2           HG       SER   2 -18.956   0.750   9.381
   13    H    MET   3           H        MET   3 -18.503   2.010   6.628
   14    HA   MET   3           HA       MET   3 -16.932   2.489   4.837
   15   1HB   MET   3          1HB       MET   3 -18.568   0.655   3.584
   16   2HB   MET   3          2HB       MET   3 -18.921   2.075   2.616
   17   1HG   MET   3          1HG       MET   3 -16.903   1.983   1.524
   18   2HG   MET   3          2HG       MET   3 -15.988   1.762   3.024
   19   1HE   MET   3          1HE       MET   3 -14.604  -0.950   0.981
   20   2HE   MET   3          2HE       MET   3 -14.419   0.521   1.981
   21   3HE   MET   3          3HE       MET   3 -14.457  -1.087   2.761
   22    H    THR   4           H        THR   4 -17.450   4.540   5.959
   23    HA   THR   4           HA       THR   4 -19.074   6.581   4.455
   24    HB   THR   4           HB       THR   4 -17.216   7.479   6.641
   25    HG1  THR   4           HG1      THR   4 -19.630   6.193   7.273
   26   1HG2  THR   4          1HG2      THR   4 -19.136   8.839   7.379
   27   2HG2  THR   4          2HG2      THR   4 -18.843   9.139   5.652
   28   3HG2  THR   4          3HG2      THR   4 -20.205   8.109   6.162
   29    H    ASP   5           H        ASP   5 -16.447   5.135   3.509
   30    HA   ASP   5           HA       ASP   5 -14.899   5.758   1.746
   31   1HB   ASP   5          1HB       ASP   5 -15.316   8.727   2.342
   32   2HB   ASP   5          2HB       ASP   5 -14.669   7.980   0.899
   33    H    GLN   6           H        GLN   6 -14.213   4.917   4.184
   34    HA   GLN   6           HA       GLN   6 -12.308   6.483   5.754
   35   1HB   GLN   6          1HB       GLN   6 -11.479   4.389   6.653
   36   2HB   GLN   6          2HB       GLN   6 -13.227   4.309   6.517
   37   1HG   GLN   6          1HG       GLN   6 -13.120   2.839   4.559
   38   2HG   GLN   6          2HG       GLN   6 -11.394   3.073   4.379
   39   1HE2  GLN   6          1HE2      GLN   6 -11.882  -0.227   6.122
   40   2HE2  GLN   6          2HE2      GLN   6 -12.448   0.532   4.550
   41    H    GLN   7           H        GLN   7 -12.054   4.698   2.725
   42    HA   GLN   7           HA       GLN   7  -9.248   4.317   2.366
   43   1HB   GLN   7          1HB       GLN   7 -10.333   3.373   0.580
   44   2HB   GLN   7          2HB       GLN   7 -11.566   4.620   0.513
   45   1HG   GLN   7          1HG       GLN   7 -10.238   6.085  -0.843
   46   2HG   GLN   7          2HG       GLN   7  -8.734   5.283  -0.440
   47   1HE2  GLN   7          1HE2      GLN   7 -11.120   3.751  -3.469
   48   2HE2  GLN   7          2HE2      GLN   7 -11.656   5.145  -2.402
   49    H    ALA   8           H        ALA   8 -11.157   7.178   1.342
   50    HA   ALA   8           HA       ALA   8  -8.833   8.771   0.445
   51   1HB   ALA   8          1HB       ALA   8 -10.874   9.309  -0.623
   52   2HB   ALA   8          2HB       ALA   8 -11.788   9.412   0.894
   53   3HB   ALA   8          3HB       ALA   8 -10.625  10.694   0.467
   54    H    GLU   9           H        GLU   9 -10.669   8.454   3.434
   55    HA   GLU   9           HA       GLU   9  -9.971  10.876   4.840
   56   1HB   GLU   9          1HB       GLU   9 -11.631   9.780   5.966
   57   2HB   GLU   9          2HB       GLU   9 -10.969   8.182   5.683
   58   1HG   GLU   9          1HG       GLU   9  -9.244   8.560   7.495
   59   2HG   GLU   9          2HG       GLU   9  -9.857  10.185   7.753
   60    H    ALA  10           H        ALA  10  -8.208   7.859   4.374
   61    HA   ALA  10           HA       ALA  10  -6.141   8.098   6.392
   62   1HB   ALA  10          1HB       ALA  10  -4.856   6.455   5.032
   63   2HB   ALA  10          2HB       ALA  10  -6.561   5.986   5.168
   64   3HB   ALA  10          3HB       ALA  10  -5.952   6.693   3.650
   65    NH1  ARG  11           NH1      ARG  11  -6.623  14.501  -0.706
   66    NH2  ARG  11           NH2      ARG  11  -8.329  13.166  -1.392
   67    H    ARG  11           H        ARG  11  -6.276   9.248   3.029
   68    HA   ARG  11           HA       ARG  11  -3.571  10.332   2.758
   69   1HB   ARG  11          1HB       ARG  11  -5.165   9.933   0.827
   70   2HB   ARG  11          2HB       ARG  11  -6.126  11.304   1.361
   71   1HG   ARG  11          1HG       ARG  11  -4.075  12.817   1.087
   72   2HG   ARG  11          2HG       ARG  11  -3.209  11.447   0.388
   73   1HD   ARG  11          1HD       ARG  11  -4.461  11.452  -1.607
   74   2HD   ARG  11          2HD       ARG  11  -4.461  13.172  -1.224
   75    HE   ARG  11           HE       ARG  11  -6.831  11.314  -0.692
   76   1HH1  ARG  11          1HH1      ARG  11  -7.297  15.271  -0.785
   77   2HH1  ARG  11          2HH1      ARG  11  -5.633  14.575  -0.451
   78   1HH2  ARG  11          1HH2      ARG  11  -8.686  12.211  -1.516
   79   2HH2  ARG  11          2HH2      ARG  11  -8.838  14.039  -1.566
   80    H    ALA  12           H        ALA  12  -6.588  11.630   4.052
   81    HA   ALA  12           HA       ALA  12  -5.880  14.471   4.272
   82   1HB   ALA  12          1HB       ALA  12  -7.755  14.640   5.896
   83   2HB   ALA  12          2HB       ALA  12  -8.226  13.704   4.463
   84   3HB   ALA  12          3HB       ALA  12  -7.871  12.866   5.995
   85    H    PHE  13           H        PHE  13  -5.255  11.639   6.272
   86    HA   PHE  13           HA       PHE  13  -4.586  12.761   8.814
   87   1HB   PHE  13          1HB       PHE  13  -4.714  10.255   8.068
   88   2HB   PHE  13          2HB       PHE  13  -3.036  10.398   7.615
   89    HD1  PHE  13           HD1      PHE  13  -2.798   8.491   9.384
   90    HD2  PHE  13           HD2      PHE  13  -3.936  12.491  10.496
   91    HE1  PHE  13           HE1      PHE  13  -2.029   8.083  11.686
   92    HE2  PHE  13           HE2      PHE  13  -3.171  12.059  12.793
   93    HZ   PHE  13           HZ       PHE  13  -2.234   9.854  13.398
   94    H    LEU  14           H        LEU  14  -2.319  11.969   6.158
   95    HA   LEU  14           HA       LEU  14  -0.058  13.498   7.443
   96   1HB   LEU  14          1HB       LEU  14   1.115  11.855   6.457
   97   2HB   LEU  14          2HB       LEU  14   0.894  12.713   4.947
   98    HG   LEU  14           HG       LEU  14  -1.308  11.302   4.645
   99   1HD1  LEU  14          1HD1      LEU  14  -0.038   9.402   3.635
  100   2HD1  LEU  14          2HD1      LEU  14   0.750  10.947   3.265
  101   3HD1  LEU  14          3HD1      LEU  14   1.435   9.881   4.517
  102   1HD2  LEU  14          1HD2      LEU  14   0.061   9.574   6.814
  103   2HD2  LEU  14          2HD2      LEU  14  -1.512  10.394   6.964
  104   3HD2  LEU  14          3HD2      LEU  14  -1.318   9.072   5.803
  105    H    SER  15           H        SER  15   1.281  14.625   5.453
  106    HA   SER  15           HA       SER  15  -0.518  16.944   4.598
  107   1HB   SER  15          1HB       SER  15   2.276  16.765   5.657
  108   2HB   SER  15          2HB       SER  15   2.050  17.931   4.351
  109    HG   SER  15           HG       SER  15   0.606  19.008   5.517
  110    H    GLU  16           H        GLU  16   0.865  18.155   2.704
  111    HA   GLU  16           HA       GLU  16   0.596  16.360   0.313
  112   1HB   GLU  16          1HB       GLU  16   1.486  19.240   0.039
  113   2HB   GLU  16          2HB       GLU  16  -0.124  18.935   0.658
  114   1HG   GLU  16          1HG       GLU  16  -0.572  17.496  -1.456
  115   2HG   GLU  16          2HG       GLU  16   0.985  18.024  -2.071
  116    H    GLU  17           H        GLU  17   3.103  18.014   2.128
  117    HA   GLU  17           HA       GLU  17   5.291  17.673   0.129
  118   1HB   GLU  17          1HB       GLU  17   5.177  19.486   1.967
  119   2HB   GLU  17          2HB       GLU  17   5.717  18.261   3.098
  120   1HG   GLU  17          1HG       GLU  17   7.881  18.029   1.992
  121   2HG   GLU  17          2HG       GLU  17   7.573  19.742   2.217
  122    H    MET  18           H        MET  18   4.255  16.027   3.104
  123    HA   MET  18           HA       MET  18   6.469  14.133   3.359
  124   1HB   MET  18          1HB       MET  18   5.205  14.360   5.331
  125   2HB   MET  18          2HB       MET  18   3.661  14.240   4.508
  126   1HG   MET  18          1HG       MET  18   3.641  11.893   4.535
  127   2HG   MET  18          2HG       MET  18   5.404  11.755   4.429
  128   1HE   MET  18          1HE       MET  18   4.514   9.790   6.102
  129   2HE   MET  18          2HE       MET  18   6.155  10.210   6.673
  130   3HE   MET  18          3HE       MET  18   4.827  10.009   7.853
  131    H    ILE  19           H        ILE  19   3.429  14.096   1.578
  132    HA   ILE  19           HA       ILE  19   3.341  11.269   0.807
  133    HB   ILE  19           HB       ILE  19   2.118  13.665  -0.657
  134   1HG1  ILE  19          1HG1      ILE  19   1.390  12.839   1.883
  135   2HG1  ILE  19          2HG1      ILE  19   0.307  13.614   0.747
  136   1HG2  ILE  19          1HG2      ILE  19   0.628  12.013  -1.809
  137   2HG2  ILE  19          2HG2      ILE  19   2.316  11.683  -2.193
  138   3HG2  ILE  19          3HG2      ILE  19   1.468  10.662  -1.009
  139   1HD1  ILE  19          1HD1      ILE  19   0.462  10.574   1.183
  140   2HD1  ILE  19          2HD1      ILE  19  -0.836  11.681   1.677
  141   3HD1  ILE  19          3HD1      ILE  19  -0.548  11.375  -0.052
  142    H    ALA  20           H        ALA  20   4.773  14.169  -0.668
  143    HA   ALA  20           HA       ALA  20   5.606  13.170  -3.219
  144   1HB   ALA  20          1HB       ALA  20   7.415  15.105  -1.720
  145   2HB   ALA  20          2HB       ALA  20   6.919  15.110  -3.423
  146   3HB   ALA  20          3HB       ALA  20   5.765  15.608  -2.159
  147    H    GLU  21           H        GLU  21   7.260  12.989  -0.072
  148    HA   GLU  21           HA       GLU  21   9.764  11.772  -1.137
  149   1HB   GLU  21          1HB       GLU  21  10.063  11.346   1.512
  150   2HB   GLU  21          2HB       GLU  21   8.773  12.528   1.618
  151   1HG   GLU  21          1HG       GLU  21  10.353  13.982  -0.020
  152   2HG   GLU  21          2HG       GLU  21  11.613  12.897   0.544
  153    H    PHE  22           H        PHE  22   6.809  10.658   0.440
  154    HA   PHE  22           HA       PHE  22   7.585   7.954   1.190
  155   1HB   PHE  22          1HB       PHE  22   5.209   9.490   1.338
  156   2HB   PHE  22          2HB       PHE  22   4.748   8.157   0.313
  157    HD1  PHE  22           HD1      PHE  22   4.271   9.060   3.478
  158    HD2  PHE  22           HD2      PHE  22   6.343   5.861   1.478
  159    HE1  PHE  22           HE1      PHE  22   4.010   7.635   5.465
  160    HE2  PHE  22           HE2      PHE  22   6.004   4.425   3.448
  161    HZ   PHE  22           HZ       PHE  22   4.866   5.315   5.453
  162    H    LYS  23           H        LYS  23   6.244   9.326  -1.793
  163    HA   LYS  23           HA       LYS  23   5.778   6.860  -3.314
  164   1HB   LYS  23          1HB       LYS  23   6.546   9.546  -4.584
  165   2HB   LYS  23          2HB       LYS  23   4.969   9.294  -3.866
  166   1HG   LYS  23          1HG       LYS  23   6.162   8.082  -6.385
  167   2HG   LYS  23          2HG       LYS  23   4.970   7.127  -5.525
  168   1HD   LYS  23          1HD       LYS  23   4.362  10.044  -6.302
  169   2HD   LYS  23          2HD       LYS  23   3.236   8.782  -5.828
  170   1HE   LYS  23          1HE       LYS  23   4.900   8.347  -8.353
  171   2HE   LYS  23          2HE       LYS  23   3.329   7.657  -7.939
  172   1HZ   LYS  23          1HZ       LYS  23   2.449  10.014  -8.131
  173   2HZ   LYS  23          2HZ       LYS  23   3.905  10.451  -8.778
  174   3HZ   LYS  23          3HZ       LYS  23   2.962   9.333  -9.546
  175    H    ALA  24           H        ALA  24   8.552   9.076  -3.035
  176    HA   ALA  24           HA       ALA  24  10.345   8.158  -5.024
  177   1HB   ALA  24          1HB       ALA  24  12.208   8.967  -3.588
  178   2HB   ALA  24          2HB       ALA  24  10.844  10.101  -3.566
  179   3HB   ALA  24          3HB       ALA  24  11.133   9.030  -2.171
  180    H    ALA  25           H        ALA  25   9.944   6.836  -1.729
  181    HA   ALA  25           HA       ALA  25  12.016   4.743  -1.952
  182   1HB   ALA  25          1HB       ALA  25  11.121   3.912   0.216
  183   2HB   ALA  25          2HB       ALA  25  11.354   5.670   0.248
  184   3HB   ALA  25          3HB       ALA  25   9.713   4.994   0.085
  185    H    PHE  26           H        PHE  26   8.547   4.901  -2.529
  186    HA   PHE  26           HA       PHE  26   7.876   2.088  -2.731
  187   1HB   PHE  26          1HB       PHE  26   6.261   4.096  -2.685
  188   2HB   PHE  26          2HB       PHE  26   6.578   4.336  -4.383
  189    HD1  PHE  26           HD1      PHE  26   4.296   2.906  -2.156
  190    HD2  PHE  26           HD2      PHE  26   6.379   1.863  -5.773
  191    HE1  PHE  26           HE1      PHE  26   2.490   1.344  -2.759
  192    HE2  PHE  26           HE2      PHE  26   4.574   0.290  -6.348
  193    HZ   PHE  26           HZ       PHE  26   2.626   0.036  -4.851
  194    H    ASP  27           H        ASP  27   9.311   4.364  -5.010
  195    HA   ASP  27           HA       ASP  27   9.083   2.707  -7.440
  196   1HB   ASP  27          1HB       ASP  27  10.438   5.311  -6.772
  197   2HB   ASP  27          2HB       ASP  27  11.158   4.403  -8.082
  198    H    MET  28           H        MET  28  11.454   3.044  -4.875
  199    HA   MET  28           HA       MET  28  13.846   1.951  -5.988
  200   1HB   MET  28          1HB       MET  28  14.238   0.906  -3.593
  201   2HB   MET  28          2HB       MET  28  12.739   1.705  -3.153
  202   1HG   MET  28          1HG       MET  28  14.435   3.670  -4.519
  203   2HG   MET  28          2HG       MET  28  13.813   3.689  -2.861
  204   1HE   MET  28          1HE       MET  28  16.087   4.537  -1.369
  205   2HE   MET  28          2HE       MET  28  14.937   3.265  -0.860
  206   3HE   MET  28          3HE       MET  28  16.695   3.012  -0.652
  207    H    PHE  29           H        PHE  29  10.911   0.314  -4.923
  208    HA   PHE  29           HA       PHE  29  12.020  -2.469  -5.269
  209   1HB   PHE  29          1HB       PHE  29   9.121  -1.586  -4.677
  210   2HB   PHE  29          2HB       PHE  29   9.677  -3.236  -4.734
  211    HD1  PHE  29           HD1      PHE  29  11.023  -4.236  -2.917
  212    HD2  PHE  29           HD2      PHE  29   9.830  -0.104  -2.714
  213    HE1  PHE  29           HE1      PHE  29  11.666  -4.154  -0.542
  214    HE2  PHE  29           HE2      PHE  29  10.459  -0.052  -0.336
  215    HZ   PHE  29           HZ       PHE  29  11.384  -2.066   0.750
  216    H    ASP  30           H        ASP  30   9.612  -0.350  -6.826
  217    HA   ASP  30           HA       ASP  30   9.421  -2.246  -9.211
  218   1HB   ASP  30          1HB       ASP  30   7.211  -1.888  -8.646
  219   2HB   ASP  30          2HB       ASP  30   7.440  -0.659  -9.868
  220    H    ALA  31           H        ALA  31  11.275  -1.758 -10.277
  221    HA   ALA  31           HA       ALA  31  12.161   1.011 -10.972
  222   1HB   ALA  31          1HB       ALA  31  13.924  -0.137 -12.319
  223   2HB   ALA  31          2HB       ALA  31  13.830  -0.785 -10.670
  224   3HB   ALA  31          3HB       ALA  31  13.156  -1.716 -12.032
  225    H    ASP  32           H        ASP  32  10.330  -1.599 -12.467
  226    HA   ASP  32           HA       ASP  32   9.281   0.263 -14.617
  227   1HB   ASP  32          1HB       ASP  32   9.595  -1.538 -16.415
  228   2HB   ASP  32          2HB       ASP  32  10.668  -2.380 -15.321
  229    H    GLY  33           H        GLY  33   7.211   0.205 -14.178
  230   1HA   GLY  33          1HA       GLY  33   5.668  -1.902 -12.869
  231   2HA   GLY  33          2HA       GLY  33   5.507  -2.154 -14.611
  232    H    GLY  34           H        GLY  34   5.489   0.626 -12.356
  233   1HA   GLY  34          1HA       GLY  34   2.748   1.515 -13.322
  234   2HA   GLY  34          2HA       GLY  34   4.072   2.634 -13.662
  235    H    GLY  35           H        GLY  35   2.679   0.745 -10.980
  236   1HA   GLY  35          1HA       GLY  35   3.785   2.345  -8.748
  237   2HA   GLY  35          2HA       GLY  35   2.191   2.973  -9.182
  238    H    ASP  36           H        ASP  36   3.522  -0.334  -9.102
  239    HA   ASP  36           HA       ASP  36   1.652  -1.138  -6.854
  240   1HB   ASP  36          1HB       ASP  36   1.164  -3.335  -8.330
  241   2HB   ASP  36          2HB       ASP  36   1.431  -2.247  -9.673
  242    H    ILE  37           H        ILE  37   2.262  -3.136  -5.887
  243    HA   ILE  37           HA       ILE  37   4.966  -4.351  -6.568
  244    HB   ILE  37           HB       ILE  37   5.649  -4.208  -4.097
  245   1HG1  ILE  37          1HG1      ILE  37   3.240  -3.034  -3.533
  246   2HG1  ILE  37          2HG1      ILE  37   4.129  -1.573  -3.908
  247   1HG2  ILE  37          1HG2      ILE  37   6.897  -2.077  -4.473
  248   2HG2  ILE  37          2HG2      ILE  37   6.841  -3.023  -5.968
  249   3HG2  ILE  37          3HG2      ILE  37   5.777  -1.609  -5.776
  250   1HD1  ILE  37          1HD1      ILE  37   5.803  -1.988  -2.132
  251   2HD1  ILE  37          2HD1      ILE  37   4.157  -2.051  -1.468
  252   3HD1  ILE  37          3HD1      ILE  37   5.051  -3.561  -1.754
  253    H    SER  38           H        SER  38   5.260  -6.369  -5.411
  254    HA   SER  38           HA       SER  38   2.808  -8.021  -5.222
  255   1HB   SER  38          1HB       SER  38   5.303  -8.676  -5.896
  256   2HB   SER  38          2HB       SER  38   5.482  -9.008  -4.171
  257    HG   SER  38           HG       SER  38   3.917 -10.244  -6.094
  258    H    THR  39           H        THR  39   2.432  -9.417  -3.292
  259    HA   THR  39           HA       THR  39   1.988  -7.747  -0.852
  260    HB   THR  39           HB       THR  39   0.515  -9.330  -0.067
  261    HG1  THR  39           HG1      THR  39   0.735 -11.417  -0.244
  262   1HG2  THR  39          1HG2      THR  39  -0.890 -10.212  -1.878
  263   2HG2  THR  39          2HG2      THR  39  -0.317  -8.593  -2.341
  264   3HG2  THR  39          3HG2      THR  39   0.425 -10.045  -3.064
  265    H    LYS  40           H        LYS  40   4.162 -10.295  -1.913
  266    HA   LYS  40           HA       LYS  40   5.167 -11.206   0.681
  267   1HB   LYS  40          1HB       LYS  40   5.525 -12.053  -1.929
  268   2HB   LYS  40          2HB       LYS  40   7.079 -11.294  -1.654
  269   1HG   LYS  40          1HG       LYS  40   7.622 -12.803   0.164
  270   2HG   LYS  40          2HG       LYS  40   5.964 -13.345   0.336
  271   1HD   LYS  40          1HD       LYS  40   6.068 -14.663  -1.737
  272   2HD   LYS  40          2HD       LYS  40   7.552 -13.867  -2.233
  273   1HE   LYS  40          1HE       LYS  40   8.927 -15.070  -0.706
  274   2HE   LYS  40          2HE       LYS  40   7.588 -15.489   0.364
  275   1HZ   LYS  40          1HZ       LYS  40   6.914 -17.181  -1.052
  276   2HZ   LYS  40          2HZ       LYS  40   7.587 -16.520  -2.408
  277   3HZ   LYS  40          3HZ       LYS  40   8.550 -17.238  -1.274
  278    H    GLU  41           H        GLU  41   6.029  -8.562  -1.479
  279    HA   GLU  41           HA       GLU  41   8.508  -7.818   0.077
  280   1HB   GLU  41          1HB       GLU  41   7.369  -6.314  -2.328
  281   2HB   GLU  41          2HB       GLU  41   8.985  -6.205  -1.660
  282   1HG   GLU  41          1HG       GLU  41   9.072  -8.851  -2.284
  283   2HG   GLU  41          2HG       GLU  41   7.769  -8.415  -3.377
  284    H    LEU  42           H        LEU  42   5.258  -6.586  -0.607
  285    HA   LEU  42           HA       LEU  42   5.179  -3.956   0.229
  286   1HB   LEU  42          1HB       LEU  42   3.110  -4.813  -0.470
  287   2HB   LEU  42          2HB       LEU  42   3.186  -6.213   0.580
  288    HG   LEU  42           HG       LEU  42   2.658  -4.796   2.581
  289   1HD1  LEU  42          1HD1      LEU  42   1.978  -2.394   2.308
  290   2HD1  LEU  42          2HD1      LEU  42   3.681  -2.632   1.886
  291   3HD1  LEU  42          3HD1      LEU  42   2.470  -2.435   0.595
  292   1HD2  LEU  42          1HD2      LEU  42   0.635  -4.391   0.276
  293   2HD2  LEU  42          2HD2      LEU  42   0.749  -5.823   1.327
  294   3HD2  LEU  42          3HD2      LEU  42   0.279  -4.260   2.018
  295    H    GLY  43           H        GLY  43   5.207  -6.773   2.418
  296   1HA   GLY  43          1HA       GLY  43   5.124  -5.482   5.028
  297   2HA   GLY  43          2HA       GLY  43   5.958  -7.006   4.698
  298    H    THR  44           H        THR  44   8.046  -6.712   3.372
  299    HA   THR  44           HA       THR  44  10.121  -5.619   4.833
  300    HB   THR  44           HB       THR  44   9.988  -5.973   1.813
  301    HG1  THR  44           HG1      THR  44  11.604  -7.599   2.638
  302   1HG2  THR  44          1HG2      THR  44  12.484  -5.854   1.740
  303   2HG2  THR  44          2HG2      THR  44  11.778  -4.277   2.153
  304   3HG2  THR  44          3HG2      THR  44  12.520  -5.280   3.426
  305    H    VAL  45           H        VAL  45   8.041  -3.882   2.598
  306    HA   VAL  45           HA       VAL  45   9.600  -1.478   2.112
  307    HB   VAL  45           HB       VAL  45   6.549  -1.741   2.143
  308   1HG1  VAL  45          1HG1      VAL  45   8.426  -1.813  -0.303
  309   2HG1  VAL  45          2HG1      VAL  45   7.794  -3.267   0.479
  310   3HG1  VAL  45          3HG1      VAL  45   6.668  -2.112  -0.268
  311   1HG2  VAL  45          1HG2      VAL  45   6.404   0.304   0.818
  312   2HG2  VAL  45          2HG2      VAL  45   7.376   0.705   2.253
  313   3HG2  VAL  45          3HG2      VAL  45   8.178   0.444   0.697
  314    H    MET  46           H        MET  46   7.011  -2.100   4.515
  315    HA   MET  46           HA       MET  46   7.024   0.447   5.872
  316   1HB   MET  46          1HB       MET  46   6.240  -1.081   7.948
  317   2HB   MET  46          2HB       MET  46   6.154  -2.337   6.726
  318   1HG   MET  46          1HG       MET  46   4.544  -0.942   5.367
  319   2HG   MET  46          2HG       MET  46   4.643   0.348   6.576
  320   1HE   MET  46          1HE       MET  46   2.799  -0.425   9.478
  321   2HE   MET  46          2HE       MET  46   3.453   0.714   8.264
  322   3HE   MET  46          3HE       MET  46   1.790   0.084   8.087
  323    NH1  ARG  47           NH1      ARG  47  12.091  -8.048   7.628
  324    NH2  ARG  47           NH2      ARG  47  10.126  -8.668   6.671
  325    H    ARG  47           H        ARG  47   9.031  -2.431   6.324
  326    HA   ARG  47           HA       ARG  47  10.318  -1.629   8.874
  327   1HB   ARG  47          1HB       ARG  47  10.976  -3.780   6.787
  328   2HB   ARG  47          2HB       ARG  47  12.048  -3.450   8.140
  329   1HG   ARG  47          1HG       ARG  47  10.108  -3.855   9.755
  330   2HG   ARG  47          2HG       ARG  47   9.109  -4.334   8.381
  331   1HD   ARG  47          1HD       ARG  47  11.813  -5.707   8.912
  332   2HD   ARG  47          2HD       ARG  47  10.352  -6.229   9.747
  333    HE   ARG  47           HE       ARG  47   9.606  -6.215   6.986
  334   1HH1  ARG  47          1HH1      ARG  47  10.626  -9.516   6.382
  335   2HH1  ARG  47          2HH1      ARG  47   9.139  -8.447   6.501
  336   1HH2  ARG  47          1HH2      ARG  47  12.589  -7.378   8.225
  337   2HH2  ARG  47          2HH2      ARG  47  12.466  -8.919   7.235
  338    H    MET  48           H        MET  48  11.027  -1.178   5.454
  339    HA   MET  48           HA       MET  48  13.863  -0.301   5.862
  340   1HB   MET  48          1HB       MET  48  13.537   0.399   3.298
  341   2HB   MET  48          2HB       MET  48  12.057  -0.538   3.412
  342   1HG   MET  48          1HG       MET  48  13.626  -2.120   2.587
  343   2HG   MET  48          2HG       MET  48  13.565  -2.509   4.314
  344   1HE   MET  48          1HE       MET  48  17.376  -3.101   3.682
  345   2HE   MET  48          2HE       MET  48  16.037  -3.565   4.773
  346   3HE   MET  48          3HE       MET  48  15.837  -3.719   3.003
  347    H    LEU  49           H        LEU  49  10.903   1.192   6.345
  348    HA   LEU  49           HA       LEU  49  11.881   4.015   5.766
  349   1HB   LEU  49          1HB       LEU  49   9.294   3.753   7.210
  350   2HB   LEU  49          2HB       LEU  49   9.714   4.696   5.794
  351    HG   LEU  49           HG       LEU  49   9.098   1.676   5.728
  352   1HD1  LEU  49          1HD1      LEU  49   6.897   2.314   4.727
  353   2HD1  LEU  49          2HD1      LEU  49   7.061   2.986   6.360
  354   3HD1  LEU  49          3HD1      LEU  49   7.272   4.043   4.942
  355   1HD2  LEU  49          1HD2      LEU  49   9.449   3.683   3.399
  356   2HD2  LEU  49          2HD2      LEU  49  10.558   2.353   3.815
  357   3HD2  LEU  49          3HD2      LEU  49   8.925   1.987   3.237
  358    H    GLY  50           H        GLY  50  11.190   1.737   8.362
  359   1HA   GLY  50          1HA       GLY  50  12.999   2.141  10.358
  360   2HA   GLY  50          2HA       GLY  50  12.181   3.704  10.479
  361    H    GLN  51           H        GLN  51  10.801   0.510   9.760
  362    HA   GLN  51           HA       GLN  51   8.851   0.817  12.120
  363   1HB   GLN  51          1HB       GLN  51   7.952   0.987   9.657
  364   2HB   GLN  51          2HB       GLN  51   8.248  -0.740   9.560
  365   1HG   GLN  51          1HG       GLN  51   5.871  -0.204  10.114
  366   2HG   GLN  51          2HG       GLN  51   6.622  -1.247  11.305
  367   1HE2  GLN  51          1HE2      GLN  51   5.601   2.643  12.398
  368   2HE2  GLN  51          2HE2      GLN  51   5.632   2.115  10.641
  369    H    ASN  52           H        ASN  52   7.943  -1.364  12.760
  370    HA   ASN  52           HA       ASN  52   9.971  -3.606  12.689
  371   1HB   ASN  52          1HB       ASN  52   9.869  -3.689  15.295
  372   2HB   ASN  52          2HB       ASN  52  10.939  -2.541  14.521
  373   1HD2  ASN  52          1HD2      ASN  52   9.161   0.273  15.967
  374   2HD2  ASN  52          2HD2      ASN  52  10.420  -0.288  14.756
  375    HA   PRO  53           HA       PRO  53   5.275  -4.751  13.328
  376   1HB   PRO  53          1HB       PRO  53   4.537  -5.746  10.872
  377   2HB   PRO  53          2HB       PRO  53   4.583  -4.019  11.257
  378   1HG   PRO  53          1HG       PRO  53   5.990  -4.003   9.374
  379   2HG   PRO  53          2HG       PRO  53   6.675  -5.616   9.683
  380   1HD   PRO  53          1HD       PRO  53   8.445  -4.365  10.662
  381   2HD   PRO  53          2HD       PRO  53   7.414  -2.916  10.866
  382    H    THR  54           H        THR  54   4.366  -7.129  12.164
  383    HA   THR  54           HA       THR  54   6.471  -9.265  12.753
  384    HB   THR  54           HB       THR  54   3.658  -9.894  13.612
  385    HG1  THR  54           HG1      THR  54   3.671  -8.234  14.818
  386   1HG2  THR  54          1HG2      THR  54   4.787 -11.176  15.401
  387   2HG2  THR  54          2HG2      THR  54   5.453 -11.640  13.819
  388   3HG2  THR  54          3HG2      THR  54   6.380 -10.564  14.896
  389    H    LYS  55           H        LYS  55   6.227 -11.178  11.608
  390    HA   LYS  55           HA       LYS  55   5.171 -10.868   8.838
  391   1HB   LYS  55          1HB       LYS  55   7.250 -12.075   9.080
  392   2HB   LYS  55          2HB       LYS  55   6.049 -13.187   8.460
  393   1HG   LYS  55          1HG       LYS  55   7.035 -13.047  11.373
  394   2HG   LYS  55          2HG       LYS  55   5.772 -14.131  10.823
  395   1HD   LYS  55          1HD       LYS  55   8.220 -15.074  11.053
  396   2HD   LYS  55          2HD       LYS  55   7.248 -15.536   9.665
  397   1HE   LYS  55          1HE       LYS  55   8.483 -14.219   8.124
  398   2HE   LYS  55          2HE       LYS  55   9.101 -13.121   9.360
  399   1HZ   LYS  55          1HZ       LYS  55  10.609 -14.977   8.366
  400   2HZ   LYS  55          2HZ       LYS  55  10.719 -14.638   9.980
  401   3HZ   LYS  55          3HZ       LYS  55   9.883 -15.968   9.470
  402    H    GLU  56           H        GLU  56   4.235 -12.521  11.809
  403    HA   GLU  56           HA       GLU  56   2.052 -14.215  10.847
  404   1HB   GLU  56          1HB       GLU  56   3.205 -13.968  13.259
  405   2HB   GLU  56          2HB       GLU  56   1.864 -12.882  13.562
  406   1HG   GLU  56          1HG       GLU  56   0.267 -14.601  13.569
  407   2HG   GLU  56          2HG       GLU  56   1.116 -15.568  12.375
  408    H    GLU  57           H        GLU  57   2.334 -10.790  11.611
  409    HA   GLU  57           HA       GLU  57  -0.560 -10.109  11.466
  410   1HB   GLU  57          1HB       GLU  57   1.837  -8.218  11.203
  411   2HB   GLU  57          2HB       GLU  57   0.168  -7.740  11.434
  412   1HG   GLU  57          1HG       GLU  57   1.844  -9.351  13.468
  413   2HG   GLU  57          2HG       GLU  57   0.164  -8.899  13.704
  414    H    LEU  58           H        LEU  58   2.196 -10.174   9.252
  415    HA   LEU  58           HA       LEU  58   0.997  -8.917   6.908
  416   1HB   LEU  58          1HB       LEU  58   3.471  -9.466   7.237
  417   2HB   LEU  58          2HB       LEU  58   3.112 -11.149   6.918
  418    HG   LEU  58           HG       LEU  58   4.071  -9.731   4.969
  419   1HD1  LEU  58          1HD1      LEU  58   1.169  -8.732   4.674
  420   2HD1  LEU  58          2HD1      LEU  58   2.481  -7.740   5.326
  421   3HD1  LEU  58          3HD1      LEU  58   2.564  -8.321   3.645
  422   1HD2  LEU  58          1HD2      LEU  58   2.820 -10.973   3.238
  423   2HD2  LEU  58          2HD2      LEU  58   2.997 -12.029   4.662
  424   3HD2  LEU  58          3HD2      LEU  58   1.446 -11.230   4.343
  425    H    ASP  59           H        ASP  59   0.883 -12.181   8.225
  426    HA   ASP  59           HA       ASP  59  -0.452 -13.566   6.033
  427   1HB   ASP  59          1HB       ASP  59   0.426 -14.300   8.648
  428   2HB   ASP  59          2HB       ASP  59  -0.097 -15.335   7.340
  429    H    ALA  60           H        ALA  60  -1.629 -11.586   8.708
  430    HA   ALA  60           HA       ALA  60  -4.508 -12.052   8.404
  431   1HB   ALA  60          1HB       ALA  60  -4.791 -10.004   9.791
  432   2HB   ALA  60          2HB       ALA  60  -3.556 -11.082  10.470
  433   3HB   ALA  60          3HB       ALA  60  -3.067  -9.602   9.607
  434    H    ILE  61           H        ILE  61  -2.575  -9.173   7.489
  435    HA   ILE  61           HA       ILE  61  -4.433  -7.712   5.960
  436    HB   ILE  61           HB       ILE  61  -1.412  -7.888   5.647
  437   1HG1  ILE  61          1HG1      ILE  61  -2.909  -5.332   6.375
  438   2HG1  ILE  61          2HG1      ILE  61  -2.835  -6.589   7.591
  439   1HG2  ILE  61          1HG2      ILE  61  -1.468  -5.963   4.040
  440   2HG2  ILE  61          2HG2      ILE  61  -2.282  -7.369   3.356
  441   3HG2  ILE  61          3HG2      ILE  61  -3.248  -6.022   4.003
  442   1HD1  ILE  61          1HD1      ILE  61  -0.363  -5.257   6.337
  443   2HD1  ILE  61          2HD1      ILE  61  -0.995  -5.048   7.984
  444   3HD1  ILE  61          3HD1      ILE  61  -0.313  -6.616   7.493
  445    H    ILE  62           H        ILE  62  -2.514 -10.541   5.114
  446    HA   ILE  62           HA       ILE  62  -2.894 -10.565   2.196
  447    HB   ILE  62           HB       ILE  62  -1.342 -12.051   3.906
  448   1HG1  ILE  62          1HG1      ILE  62  -0.252 -12.557   1.965
  449   2HG1  ILE  62          2HG1      ILE  62  -1.525 -11.704   1.119
  450   1HG2  ILE  62          1HG2      ILE  62  -1.984 -14.469   3.737
  451   2HG2  ILE  62          2HG2      ILE  62  -3.217 -13.567   4.614
  452   3HG2  ILE  62          3HG2      ILE  62  -3.505 -14.029   2.921
  453   1HD1  ILE  62          1HD1      ILE  62  -2.787 -13.788   0.664
  454   2HD1  ILE  62          2HD1      ILE  62  -1.106 -13.940   0.114
  455   3HD1  ILE  62          3HD1      ILE  62  -1.615 -14.735   1.622
  456    H    GLU  63           H        GLU  63  -4.583 -12.219   4.876
  457    HA   GLU  63           HA       GLU  63  -6.586 -13.684   3.491
  458   1HB   GLU  63          1HB       GLU  63  -6.449 -12.481   6.234
  459   2HB   GLU  63          2HB       GLU  63  -6.649 -14.148   5.732
  460   1HG   GLU  63          1HG       GLU  63  -8.643 -12.742   6.906
  461   2HG   GLU  63          2HG       GLU  63  -8.972 -12.219   5.263
  462    H    GLU  64           H        GLU  64  -6.388 -10.230   4.094
  463    HA   GLU  64           HA       GLU  64  -9.175  -9.551   3.347
  464   1HB   GLU  64          1HB       GLU  64  -7.601  -7.190   3.095
  465   2HB   GLU  64          2HB       GLU  64  -6.833  -8.110   4.372
  466   1HG   GLU  64          1HG       GLU  64  -9.555  -6.790   4.329
  467   2HG   GLU  64          2HG       GLU  64  -9.480  -8.321   5.186
  468    H    VAL  65           H        VAL  65  -6.062  -8.683   1.806
  469    HA   VAL  65           HA       VAL  65  -7.086  -7.591  -0.650
  470    HB   VAL  65           HB       VAL  65  -4.382  -8.756   0.067
  471   1HG1  VAL  65          1HG1      VAL  65  -3.468  -8.196  -2.194
  472   2HG1  VAL  65          2HG1      VAL  65  -4.691  -9.475  -2.307
  473   3HG1  VAL  65          3HG1      VAL  65  -5.102  -7.812  -2.790
  474   1HG2  VAL  65          1HG2      VAL  65  -5.231  -5.920  -0.845
  475   2HG2  VAL  65          2HG2      VAL  65  -4.852  -6.421   0.821
  476   3HG2  VAL  65          3HG2      VAL  65  -3.580  -6.423  -0.408
  477    H    ASP  66           H        ASP  66  -5.586 -10.837  -0.276
  478    HA   ASP  66           HA       ASP  66  -7.052 -11.833  -2.728
  479   1HB   ASP  66          1HB       ASP  66  -4.481 -12.220  -2.158
  480   2HB   ASP  66          2HB       ASP  66  -5.067 -13.531  -1.160
  481    H    GLU  67           H        GLU  67  -9.003 -11.473  -1.269
  482    HA   GLU  67           HA       GLU  67  -9.748 -13.633   0.662
  483   1HB   GLU  67          1HB       GLU  67 -10.692 -11.180   0.512
  484   2HB   GLU  67          2HB       GLU  67 -11.764 -11.815  -0.721
  485   1HG   GLU  67          1HG       GLU  67 -12.874 -13.314   0.848
  486   2HG   GLU  67          2HG       GLU  67 -11.604 -13.144   2.047
  487    H    ASP  68           H        ASP  68 -10.103 -12.934  -2.772
  488    HA   ASP  68           HA       ASP  68 -10.940 -15.833  -3.257
  489   1HB   ASP  68          1HB       ASP  68 -12.189 -14.828  -5.390
  490   2HB   ASP  68          2HB       ASP  68 -12.985 -15.015  -3.844
  491    H    GLY  69           H        GLY  69  -9.724 -12.835  -4.796
  492   1HA   GLY  69          1HA       GLY  69  -8.422 -13.794  -7.132
  493   2HA   GLY  69          2HA       GLY  69  -7.275 -14.214  -5.856
  494    H    SER  70           H        SER  70  -6.846 -12.378  -7.972
  495    HA   SER  70           HA       SER  70  -5.744 -10.276  -8.366
  496   1HB   SER  70          1HB       SER  70  -6.984  -8.376  -7.981
  497   2HB   SER  70          2HB       SER  70  -7.409  -8.815  -6.325
  498    HG   SER  70           HG       SER  70  -8.998  -8.948  -8.194
  499    H    GLY  71           H        GLY  71  -3.789 -10.951  -7.492
  500   1HA   GLY  71          1HA       GLY  71  -3.156 -10.310  -4.558
  501   2HA   GLY  71          2HA       GLY  71  -2.199 -11.386  -5.581
  502    H    THR  72           H        THR  72  -3.371  -8.015  -5.617
  503    HA   THR  72           HA       THR  72  -0.570  -6.986  -6.002
  504    HB   THR  72           HB       THR  72  -1.372  -5.381  -7.866
  505    HG1  THR  72           HG1      THR  72  -2.914  -6.649  -9.209
  506   1HG2  THR  72          1HG2      THR  72  -1.250  -8.137  -9.104
  507   2HG2  THR  72          2HG2      THR  72  -0.389  -6.648  -9.553
  508   3HG2  THR  72          3HG2      THR  72   0.167  -7.619  -8.165
  509    H    ILE  73           H        ILE  73  -0.305  -4.876  -5.310
  510    HA   ILE  73           HA       ILE  73  -2.672  -3.453  -4.088
  511    HB   ILE  73           HB       ILE  73  -1.697  -4.927  -2.319
  512   1HG1  ILE  73          1HG1      ILE  73  -1.578  -1.940  -1.608
  513   2HG1  ILE  73          2HG1      ILE  73  -3.066  -2.816  -1.918
  514   1HG2  ILE  73          1HG2      ILE  73   0.395  -4.391  -1.126
  515   2HG2  ILE  73          2HG2      ILE  73   0.772  -4.715  -2.824
  516   3HG2  ILE  73          3HG2      ILE  73   0.743  -3.038  -2.228
  517   1HD1  ILE  73          1HD1      ILE  73  -1.217  -3.099   0.488
  518   2HD1  ILE  73          2HD1      ILE  73  -2.983  -2.918   0.415
  519   3HD1  ILE  73          3HD1      ILE  73  -2.238  -4.482   0.008
  520    H    ASP  74           H        ASP  74  -2.549  -1.284  -4.164
  521    HA   ASP  74           HA       ASP  74  -0.172  -0.062  -5.665
  522   1HB   ASP  74          1HB       ASP  74  -1.501   1.120  -7.001
  523   2HB   ASP  74          2HB       ASP  74  -2.501   1.652  -5.682
  524    H    PHE  75           H        PHE  75  -0.729   2.573  -5.279
  525    HA   PHE  75           HA       PHE  75   0.594   2.972  -2.652
  526   1HB   PHE  75          1HB       PHE  75  -0.238   5.197  -4.594
  527   2HB   PHE  75          2HB       PHE  75   1.135   4.169  -4.915
  528    HD1  PHE  75           HD1      PHE  75   0.686   4.729  -1.329
  529    HD2  PHE  75           HD2      PHE  75   2.372   6.463  -4.888
  530    HE1  PHE  75           HE1      PHE  75   1.866   6.404   0.034
  531    HE2  PHE  75           HE2      PHE  75   3.550   8.126  -3.505
  532    HZ   PHE  75           HZ       PHE  75   3.256   8.135  -1.054
  533    H    GLU  76           H        GLU  76  -2.597   3.431  -4.024
  534    HA   GLU  76           HA       GLU  76  -3.658   5.334  -2.022
  535   1HB   GLU  76          1HB       GLU  76  -4.674   5.308  -4.208
  536   2HB   GLU  76          2HB       GLU  76  -5.880   4.896  -3.005
  537   1HG   GLU  76          1HG       GLU  76  -6.110   2.661  -3.775
  538   2HG   GLU  76          2HG       GLU  76  -4.482   2.590  -4.428
  539    H    GLU  77           H        GLU  77  -4.114   1.839  -2.588
  540    HA   GLU  77           HA       GLU  77  -5.503   1.215  -0.050
  541   1HB   GLU  77          1HB       GLU  77  -3.833  -0.867  -1.494
  542   2HB   GLU  77          2HB       GLU  77  -5.251  -0.213  -2.291
  543   1HG   GLU  77          1HG       GLU  77  -5.456  -1.378   0.549
  544   2HG   GLU  77          2HG       GLU  77  -6.757  -1.089  -0.594
  545    H    PHE  78           H        PHE  78  -2.191   1.730  -1.012
  546    HA   PHE  78           HA       PHE  78  -0.816   0.286   1.135
  547   1HB   PHE  78          1HB       PHE  78   0.011   2.385  -0.901
  548   2HB   PHE  78          2HB       PHE  78   0.520   0.724  -0.758
  549    HD1  PHE  78           HD1      PHE  78   1.116   4.199   0.412
  550    HD2  PHE  78           HD2      PHE  78   2.331   0.102   0.917
  551    HE1  PHE  78           HE1      PHE  78   3.195   4.939   1.504
  552    HE2  PHE  78           HE2      PHE  78   4.395   0.860   2.023
  553    HZ   PHE  78           HZ       PHE  78   4.833   3.274   2.316
  554    H    LEU  79           H        LEU  79  -1.785   3.700   0.741
  555    HA   LEU  79           HA       LEU  79  -0.694   4.566   3.408
  556   1HB   LEU  79          1HB       LEU  79  -1.941   6.751   2.887
  557   2HB   LEU  79          2HB       LEU  79  -0.585   6.322   1.867
  558    HG   LEU  79           HG       LEU  79  -2.845   5.253   0.475
  559   1HD1  LEU  79          1HD1      LEU  79  -4.420   7.183   0.285
  560   2HD1  LEU  79          2HD1      LEU  79  -4.388   6.566   1.947
  561   3HD1  LEU  79          3HD1      LEU  79  -3.527   8.072   1.545
  562   1HD2  LEU  79          1HD2      LEU  79  -1.328   7.907   0.001
  563   2HD2  LEU  79          2HD2      LEU  79  -0.868   6.306  -0.630
  564   3HD2  LEU  79          3HD2      LEU  79  -2.360   7.075  -1.190
  565    H    VAL  80           H        VAL  80  -3.731   3.517   1.990
  566    HA   VAL  80           HA       VAL  80  -5.571   4.184   4.159
  567    HB   VAL  80           HB       VAL  80  -5.703   2.099   1.949
  568   1HG1  VAL  80          1HG1      VAL  80  -7.570   4.489   2.500
  569   2HG1  VAL  80          2HG1      VAL  80  -6.139   4.601   1.466
  570   3HG1  VAL  80          3HG1      VAL  80  -7.463   3.500   1.020
  571   1HG2  VAL  80          1HG2      VAL  80  -7.974   1.427   2.583
  572   2HG2  VAL  80          2HG2      VAL  80  -6.929   1.119   3.990
  573   3HG2  VAL  80          3HG2      VAL  80  -7.989   2.536   3.976
  574    H    MET  81           H        MET  81  -3.312   1.535   3.592
  575    HA   MET  81           HA       MET  81  -4.276  -0.289   5.721
  576   1HB   MET  81          1HB       MET  81  -2.751  -1.785   4.944
  577   2HB   MET  81          2HB       MET  81  -2.676  -0.701   3.568
  578   1HG   MET  81          1HG       MET  81  -0.698   0.459   5.100
  579   2HG   MET  81          2HG       MET  81  -0.404  -0.837   3.928
  580   1HE   MET  81          1HE       MET  81   1.403  -3.323   6.018
  581   2HE   MET  81          2HE       MET  81   0.717  -2.922   4.416
  582   3HE   MET  81          3HE       MET  81   1.847  -1.787   5.211
  583    H    MET  82           H        MET  82  -1.874   2.286   5.484
  584    HA   MET  82           HA       MET  82  -0.488   1.783   8.042
  585   1HB   MET  82          1HB       MET  82   0.755   3.756   7.687
  586   2HB   MET  82          2HB       MET  82  -0.546   4.574   6.843
  587   1HG   MET  82          1HG       MET  82   0.874   2.157   5.571
  588   2HG   MET  82          2HG       MET  82  -0.139   3.374   4.776
  589   1HE   MET  82          1HE       MET  82   2.154   6.629   5.825
  590   2HE   MET  82          2HE       MET  82   0.518   5.965   6.109
  591   3HE   MET  82          3HE       MET  82   1.825   5.642   7.285
  592    H    VAL  83           H        VAL  83  -2.999   4.106   7.023
  593    HA   VAL  83           HA       VAL  83  -3.485   5.463   9.520
  594    HB   VAL  83           HB       VAL  83  -5.469   4.876   7.268
  595   1HG1  VAL  83          1HG1      VAL  83  -6.918   6.681   8.215
  596   2HG1  VAL  83          2HG1      VAL  83  -6.778   5.333   9.353
  597   3HG1  VAL  83          3HG1      VAL  83  -5.849   6.824   9.635
  598   1HG2  VAL  83          1HG2      VAL  83  -3.906   7.461   7.925
  599   2HG2  VAL  83          2HG2      VAL  83  -3.587   6.374   6.553
  600   3HG2  VAL  83          3HG2      VAL  83  -5.112   7.269   6.626
  601    NH1  ARG  84           NH1      ARG  84  -6.201  -3.392   5.809
  602    NH2  ARG  84           NH2      ARG  84  -6.052  -1.521   4.529
  603    H    ARG  84           H        ARG  84  -4.454   2.278   8.395
  604    HA   ARG  84           HA       ARG  84  -6.505   1.597  10.372
  605   1HB   ARG  84          1HB       ARG  84  -5.034  -0.807   9.699
  606   2HB   ARG  84          2HB       ARG  84  -5.042   0.213   8.267
  607   1HG   ARG  84          1HG       ARG  84  -7.591  -0.527   9.825
  608   2HG   ARG  84          2HG       ARG  84  -7.529   0.408   8.329
  609   1HD   ARG  84          1HD       ARG  84  -6.196  -2.329   8.281
  610   2HD   ARG  84          2HD       ARG  84  -7.956  -2.303   8.359
  611    HE   ARG  84           HE       ARG  84  -7.754  -0.688   6.228
  612   1HH1  ARG  84          1HH1      ARG  84  -5.587  -2.124   3.842
  613   2HH1  ARG  84          2HH1      ARG  84  -6.231  -0.514   4.442
  614   1HH2  ARG  84          1HH2      ARG  84  -6.433  -3.800   6.721
  615   2HH2  ARG  84          2HH2      ARG  84  -5.790  -3.879   5.003
  616    H    GLN  85           H        GLN  85  -3.109   0.428  10.293
  617    HA   GLN  85           HA       GLN  85  -3.116  -0.788  12.937
  618   1HB   GLN  85          1HB       GLN  85  -0.952  -0.001  10.973
  619   2HB   GLN  85          2HB       GLN  85  -0.456  -0.251  12.637
  620   1HG   GLN  85          1HG       GLN  85  -0.332  -2.279  11.012
  621   2HG   GLN  85          2HG       GLN  85  -2.079  -2.369  11.107
  622   1HE2  GLN  85          1HE2      GLN  85  -1.753  -4.445  13.998
  623   2HE2  GLN  85          2HE2      GLN  85  -2.487  -4.133  12.345
  624    H    MET  86           H        MET  86  -1.669   2.302  11.878
  625    HA   MET  86           HA       MET  86  -0.578   3.354  14.249
  626   1HB   MET  86          1HB       MET  86  -1.909   4.761  11.895
  627   2HB   MET  86          2HB       MET  86  -1.419   5.706  13.289
  628   1HG   MET  86          1HG       MET  86   0.954   5.034  13.014
  629   2HG   MET  86          2HG       MET  86   0.524   3.873  11.748
  630   1HE   MET  86          1HE       MET  86   0.529   7.934  12.579
  631   2HE   MET  86          2HE       MET  86   2.053   7.007  12.445
  632   3HE   MET  86          3HE       MET  86   1.620   8.198  11.183
  633    H    LYS  87           H        LYS  87  -3.972   3.223  13.312
  634    HA   LYS  87           HA       LYS  87  -5.173   4.905  15.372
  635   1HB   LYS  87          1HB       LYS  87  -6.433   4.017  13.380
  636   2HB   LYS  87          2HB       LYS  87  -6.405   2.403  14.061
  637   1HG   LYS  87          1HG       LYS  87  -8.584   3.654  14.350
  638   2HG   LYS  87          2HG       LYS  87  -7.930   2.980  15.829
  639   1HD   LYS  87          1HD       LYS  87  -8.394   5.051  16.724
  640   2HD   LYS  87          2HD       LYS  87  -6.856   5.502  16.007
  641   1HE   LYS  87          1HE       LYS  87  -8.604   5.906  13.842
  642   2HE   LYS  87          2HE       LYS  87  -9.609   6.376  15.214
  643   1HZ   LYS  87          1HZ       LYS  87  -8.049   8.025  15.831
  644   2HZ   LYS  87          2HZ       LYS  87  -6.839   7.410  14.889
  645   3HZ   LYS  87          3HZ       LYS  87  -8.140   8.148  14.186
  646    H    GLU  88           H        GLU  88  -4.861   1.329  15.284
  647    HA   GLU  88           HA       GLU  88  -3.665   0.910  17.887
  648   1HB   GLU  88          1HB       GLU  88  -6.483   1.684  18.078
  649   2HB   GLU  88          2HB       GLU  88  -6.271   0.057  18.692
  650   1HG   GLU  88          1HG       GLU  88  -4.463   2.360  19.645
  651   2HG   GLU  88          2HG       GLU  88  -6.047   2.086  20.351
  652    H    ASP  89           H        ASP  89  -3.200  -1.190  18.133
  653    HA   ASP  89           HA       ASP  89  -3.743  -3.114  15.915
  654   1HB   ASP  89          1HB       ASP  89  -2.186  -3.442  18.537
  655   2HB   ASP  89          2HB       ASP  89  -1.536  -3.177  16.936
  656    H    ALA  90           H        ALA  90  -5.076  -4.820  15.914
  657    HA   ALA  90           HA       ALA  90  -6.621  -5.922  18.185
  658   1HB   ALA  90          1HB       ALA  90  -8.575  -4.697  18.225
  659   2HB   ALA  90          2HB       ALA  90  -7.613  -3.407  17.476
  660   3HB   ALA  90          3HB       ALA  90  -8.617  -4.469  16.459
   
  Start of MODEL           6
 Raw file had  660 H/Q atoms
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -19.061   0.330   9.616
    2   2H    ALA   1          2H        ALA   1 -18.432  -0.188   8.145
    3   3H    ALA   1          3H        ALA   1 -17.904   1.258   8.823
    4    HA   ALA   1           HA       ALA   1 -20.103   0.730   7.127
    5   1HB   ALA   1          1HB       ALA   1 -21.636   2.384   8.586
    6   2HB   ALA   1          2HB       ALA   1 -21.660   0.636   8.890
    7   3HB   ALA   1          3HB       ALA   1 -20.722   1.711   9.957
    8    H    SER   2           H        SER   2 -20.260   2.440   5.766
    9    HA   SER   2           HA       SER   2 -19.922   4.617   4.769
   10   1HB   SER   2          1HB       SER   2 -20.139   5.207   7.469
   11   2HB   SER   2          2HB       SER   2 -18.538   5.858   7.109
   12    HG   SER   2           HG       SER   2 -21.037   6.504   6.016
   13    H    MET   3           H        MET   3 -18.337   2.988   3.766
   14    HA   MET   3           HA       MET   3 -15.543   4.251   3.804
   15   1HB   MET   3          1HB       MET   3 -14.468   2.090   3.372
   16   2HB   MET   3          2HB       MET   3 -16.011   1.258   3.331
   17   1HG   MET   3          1HG       MET   3 -14.528   2.366   5.767
   18   2HG   MET   3          2HG       MET   3 -16.280   2.123   5.852
   19   1HE   MET   3          1HE       MET   3 -17.067  -1.421   5.580
   20   2HE   MET   3          2HE       MET   3 -16.801  -0.670   7.181
   21   3HE   MET   3          3HE       MET   3 -17.519   0.291   5.855
   22    H    THR   4           H        THR   4 -17.783   4.994   2.280
   23    HA   THR   4           HA       THR   4 -18.059   3.988  -0.403
   24    HB   THR   4           HB       THR   4 -19.549   5.704   0.248
   25    HG1  THR   4           HG1      THR   4 -18.738   5.675  -1.933
   26   1HG2  THR   4          1HG2      THR   4 -18.997   8.069   0.678
   27   2HG2  THR   4          2HG2      THR   4 -18.183   7.054   1.889
   28   3HG2  THR   4          3HG2      THR   4 -17.254   7.755   0.539
   29    H    ASP   5           H        ASP   5 -15.442   5.731   1.143
   30    HA   ASP   5           HA       ASP   5 -13.455   5.027  -0.896
   31   1HB   ASP   5          1HB       ASP   5 -12.995   7.701  -1.336
   32   2HB   ASP   5          2HB       ASP   5 -13.787   6.612  -2.451
   33    H    GLN   6           H        GLN   6 -13.069   4.349   1.411
   34    HA   GLN   6           HA       GLN   6 -11.976   6.118   3.476
   35   1HB   GLN   6          1HB       GLN   6 -10.683   4.040   4.236
   36   2HB   GLN   6          2HB       GLN   6 -12.433   3.925   4.195
   37   1HG   GLN   6          1HG       GLN   6 -12.384   2.607   2.102
   38   2HG   GLN   6          2HG       GLN   6 -10.656   2.835   1.929
   39   1HE2  GLN   6          1HE2      GLN   6 -11.564  -0.529   3.629
   40   2HE2  GLN   6          2HE2      GLN   6 -12.046   0.318   2.074
   41    H    GLN   7           H        GLN   7 -10.671   4.755   0.503
   42    HA   GLN   7           HA       GLN   7  -7.856   5.056   0.682
   43   1HB   GLN   7          1HB       GLN   7  -7.846   5.630  -1.787
   44   2HB   GLN   7          2HB       GLN   7  -8.718   4.172  -1.347
   45   1HG   GLN   7          1HG       GLN   7 -10.884   5.725  -1.362
   46   2HG   GLN   7          2HG       GLN   7  -9.888   6.849  -2.264
   47   1HE2  GLN   7          1HE2      GLN   7 -11.156   3.338  -4.080
   48   2HE2  GLN   7          2HE2      GLN   7 -11.118   3.491  -2.252
   49    H    ALA   8           H        ALA   8 -10.175   7.612  -0.296
   50    HA   ALA   8           HA       ALA   8  -8.214   9.777  -0.569
   51   1HB   ALA   8          1HB       ALA   8 -10.125  10.303  -1.742
   52   2HB   ALA   8          2HB       ALA   8 -11.227   9.588  -0.549
   53   3HB   ALA   8          3HB       ALA   8 -10.517  11.195  -0.253
   54    H    GLU   9           H        GLU   9 -10.147   8.541   2.102
   55    HA   GLU   9           HA       GLU   9  -9.960  10.792   3.979
   56   1HB   GLU   9          1HB       GLU   9 -10.241   7.861   4.804
   57   2HB   GLU   9          2HB       GLU   9 -10.695   9.281   5.724
   58   1HG   GLU   9          1HG       GLU   9 -12.051   8.306   3.128
   59   2HG   GLU   9          2HG       GLU   9 -12.683   8.127   4.756
   60    H    ALA  10           H        ALA  10  -7.875   8.066   3.180
   61    HA   ALA  10           HA       ALA  10  -6.043   8.101   5.438
   62   1HB   ALA  10          1HB       ALA  10  -4.493   6.813   3.975
   63   2HB   ALA  10          2HB       ALA  10  -6.153   6.199   3.855
   64   3HB   ALA  10          3HB       ALA  10  -5.477   7.197   2.542
   65    NH1  ARG  11           NH1      ARG  11  -4.539  11.781  -3.016
   66    NH2  ARG  11           NH2      ARG  11  -6.629  11.239  -3.724
   67    H    ARG  11           H        ARG  11  -5.965   9.776   2.299
   68    HA   ARG  11           HA       ARG  11  -3.290  11.062   2.632
   69   1HB   ARG  11          1HB       ARG  11  -3.681  12.160   0.555
   70   2HB   ARG  11          2HB       ARG  11  -4.380  10.555   0.397
   71   1HG   ARG  11          1HG       ARG  11  -6.548  11.307   0.180
   72   2HG   ARG  11          2HG       ARG  11  -6.347  12.627   1.333
   73   1HD   ARG  11          1HD       ARG  11  -4.645  13.300  -0.901
   74   2HD   ARG  11          2HD       ARG  11  -6.118  14.117  -0.384
   75    HE   ARG  11           HE       ARG  11  -7.375  12.949  -2.115
   76   1HH1  ARG  11          1HH1      ARG  11  -4.211  11.135  -3.743
   77   2HH1  ARG  11          2HH1      ARG  11  -3.957  12.356  -2.398
   78   1HH2  ARG  11          1HH2      ARG  11  -7.639  11.395  -3.639
   79   2HH2  ARG  11          2HH2      ARG  11  -6.155  10.638  -4.406
   80    H    ALA  12           H        ALA  12  -6.665  11.901   3.231
   81    HA   ALA  12           HA       ALA  12  -6.637  14.683   3.830
   82   1HB   ALA  12          1HB       ALA  12  -8.493  14.270   5.433
   83   2HB   ALA  12          2HB       ALA  12  -8.704  13.321   3.948
   84   3HB   ALA  12          3HB       ALA  12  -8.142  12.525   5.440
   85    H    PHE  13           H        PHE  13  -5.269  12.015   5.674
   86    HA   PHE  13           HA       PHE  13  -4.952  13.319   8.280
   87   1HB   PHE  13          1HB       PHE  13  -4.884  10.854   8.010
   88   2HB   PHE  13          2HB       PHE  13  -3.424  10.942   7.061
   89    HD1  PHE  13           HD1      PHE  13  -4.837  11.409  10.503
   90    HD2  PHE  13           HD2      PHE  13  -1.222  11.251   8.171
   91    HE1  PHE  13           HE1      PHE  13  -3.504  11.211  12.562
   92    HE2  PHE  13           HE2      PHE  13   0.088  11.008  10.239
   93    HZ   PHE  13           HZ       PHE  13  -1.041  11.033  12.436
   94    H    LEU  14           H        LEU  14  -2.513  12.560   5.770
   95    HA   LEU  14           HA       LEU  14  -0.520  14.503   6.937
   96   1HB   LEU  14          1HB       LEU  14   0.924  13.637   4.946
   97   2HB   LEU  14          2HB       LEU  14   0.600  12.570   6.295
   98    HG   LEU  14           HG       LEU  14  -1.077  11.299   5.014
   99   1HD1  LEU  14          1HD1      LEU  14  -1.655  11.829   2.641
  100   2HD1  LEU  14          2HD1      LEU  14  -2.121  13.163   3.712
  101   3HD1  LEU  14          3HD1      LEU  14  -0.661  13.307   2.701
  102   1HD2  LEU  14          1HD2      LEU  14   1.460  11.760   3.304
  103   2HD2  LEU  14          2HD2      LEU  14   1.295  10.604   4.649
  104   3HD2  LEU  14          3HD2      LEU  14   0.354  10.369   3.169
  105    H    SER  15           H        SER  15   0.740  15.710   5.068
  106    HA   SER  15           HA       SER  15  -1.269  17.329   3.422
  107   1HB   SER  15          1HB       SER  15   1.548  18.340   3.761
  108   2HB   SER  15          2HB       SER  15   0.548  18.292   5.215
  109    HG   SER  15           HG       SER  15  -0.739  19.225   2.960
  110    H    GLU  16           H        GLU  16  -0.126  18.267   1.392
  111    HA   GLU  16           HA       GLU  16   0.316  16.092  -0.523
  112   1HB   GLU  16          1HB       GLU  16   0.539  19.114  -0.700
  113   2HB   GLU  16          2HB       GLU  16   1.199  18.138  -1.997
  114   1HG   GLU  16          1HG       GLU  16  -1.667  17.557  -1.125
  115   2HG   GLU  16          2HG       GLU  16  -0.929  17.360  -2.706
  116    H    GLU  17           H        GLU  17   2.427  18.177   1.349
  117    HA   GLU  17           HA       GLU  17   4.959  17.664  -0.083
  118   1HB   GLU  17          1HB       GLU  17   5.152  19.577   1.185
  119   2HB   GLU  17          2HB       GLU  17   4.282  18.930   2.561
  120   1HG   GLU  17          1HG       GLU  17   6.221  17.804   3.437
  121   2HG   GLU  17          2HG       GLU  17   7.058  17.816   1.894
  122    H    MET  18           H        MET  18   3.579  16.324   2.932
  123    HA   MET  18           HA       MET  18   5.722  14.432   3.561
  124   1HB   MET  18          1HB       MET  18   2.822  14.677   4.454
  125   2HB   MET  18          2HB       MET  18   4.299  14.894   5.376
  126   1HG   MET  18          1HG       MET  18   2.929  12.272   4.600
  127   2HG   MET  18          2HG       MET  18   4.660  12.273   4.975
  128   1HE   MET  18          1HE       MET  18   5.726  13.356   6.806
  129   2HE   MET  18          2HE       MET  18   4.944  14.126   8.218
  130   3HE   MET  18          3HE       MET  18   5.311  12.377   8.249
  131    H    ILE  19           H        ILE  19   2.829  14.265   1.554
  132    HA   ILE  19           HA       ILE  19   2.681  11.417   1.001
  133    HB   ILE  19           HB       ILE  19   1.792  13.818  -0.650
  134   1HG1  ILE  19          1HG1      ILE  19   0.237  11.652   0.912
  135   2HG1  ILE  19          2HG1      ILE  19   0.400  13.338   1.354
  136   1HG2  ILE  19          1HG2      ILE  19   0.670  12.276  -2.274
  137   2HG2  ILE  19          2HG2      ILE  19   2.415  12.032  -2.307
  138   3HG2  ILE  19          3HG2      ILE  19   1.380  10.862  -1.458
  139   1HD1  ILE  19          1HD1      ILE  19  -1.167  12.341  -1.097
  140   2HD1  ILE  19          2HD1      ILE  19  -1.818  13.018   0.410
  141   3HD1  ILE  19          3HD1      ILE  19  -0.889  14.058  -0.695
  142    H    ALA  20           H        ALA  20   4.483  14.043  -0.602
  143    HA   ALA  20           HA       ALA  20   5.635  12.697  -2.832
  144   1HB   ALA  20          1HB       ALA  20   7.480  14.606  -1.417
  145   2HB   ALA  20          2HB       ALA  20   6.934  14.579  -3.105
  146   3HB   ALA  20          3HB       ALA  20   5.871  15.241  -1.836
  147    H    GLU  21           H        GLU  21   6.571  12.597   0.567
  148    HA   GLU  21           HA       GLU  21   9.212  11.295   0.187
  149   1HB   GLU  21          1HB       GLU  21   8.152  12.726   2.245
  150   2HB   GLU  21          2HB       GLU  21   7.836  11.118   2.865
  151   1HG   GLU  21          1HG       GLU  21  10.397  10.628   2.412
  152   2HG   GLU  21          2HG       GLU  21  10.566  12.362   2.191
  153    H    PHE  22           H        PHE  22   5.938  10.240   1.035
  154    HA   PHE  22           HA       PHE  22   6.458   7.468   1.774
  155   1HB   PHE  22          1HB       PHE  22   3.949   7.215   0.756
  156   2HB   PHE  22          2HB       PHE  22   3.992   8.958   0.803
  157    HD1  PHE  22           HD1      PHE  22   2.177   8.978   2.531
  158    HD2  PHE  22           HD2      PHE  22   5.904   6.986   3.347
  159    HE1  PHE  22           HE1      PHE  22   1.668   8.989   4.937
  160    HE2  PHE  22           HE2      PHE  22   5.368   6.991   5.749
  161    HZ   PHE  22           HZ       PHE  22   3.245   7.971   6.546
  162    H    LYS  23           H        LYS  23   5.527   8.943  -1.343
  163    HA   LYS  23           HA       LYS  23   5.519   6.468  -2.942
  164   1HB   LYS  23          1HB       LYS  23   4.441   8.824  -3.480
  165   2HB   LYS  23          2HB       LYS  23   4.966   7.771  -4.776
  166   1HG   LYS  23          1HG       LYS  23   6.878   9.904  -3.712
  167   2HG   LYS  23          2HG       LYS  23   6.881   9.126  -5.283
  168   1HD   LYS  23          1HD       LYS  23   4.798  10.388  -5.946
  169   2HD   LYS  23          2HD       LYS  23   4.702  11.078  -4.334
  170   1HE   LYS  23          1HE       LYS  23   5.730  12.565  -6.228
  171   2HE   LYS  23          2HE       LYS  23   6.537  12.561  -4.658
  172   1HZ   LYS  23          1HZ       LYS  23   7.453  10.575  -6.614
  173   2HZ   LYS  23          2HZ       LYS  23   7.823  12.154  -6.924
  174   3HZ   LYS  23          3HZ       LYS  23   8.324  11.449  -5.516
  175    H    ALA  24           H        ALA  24   7.960   8.843  -2.049
  176    HA   ALA  24           HA       ALA  24  10.145   8.376  -3.795
  177   1HB   ALA  24          1HB       ALA  24  11.655   8.980  -1.913
  178   2HB   ALA  24          2HB       ALA  24  10.233  10.040  -1.959
  179   3HB   ALA  24          3HB       ALA  24  10.338   8.745  -0.739
  180    H    ALA  25           H        ALA  25   9.268   6.475  -0.899
  181    HA   ALA  25           HA       ALA  25  11.469   4.481  -1.261
  182   1HB   ALA  25          1HB       ALA  25  10.531   3.404   0.777
  183   2HB   ALA  25          2HB       ALA  25  10.759   5.146   1.017
  184   3HB   ALA  25          3HB       ALA  25   9.124   4.493   0.743
  185    H    PHE  26           H        PHE  26   8.008   4.699  -1.877
  186    HA   PHE  26           HA       PHE  26   7.314   1.940  -2.472
  187   1HB   PHE  26          1HB       PHE  26   5.716   3.941  -2.273
  188   2HB   PHE  26          2HB       PHE  26   6.169   4.421  -3.887
  189    HD1  PHE  26           HD1      PHE  26   5.829   0.802  -2.904
  190    HD2  PHE  26           HD2      PHE  26   3.924   4.138  -4.841
  191    HE1  PHE  26           HE1      PHE  26   4.080  -0.692  -3.783
  192    HE2  PHE  26           HE2      PHE  26   2.170   2.634  -5.689
  193    HZ   PHE  26           HZ       PHE  26   2.252   0.218  -5.176
  194    H    ASP  27           H        ASP  27   9.061   4.401  -4.279
  195    HA   ASP  27           HA       ASP  27   8.938   3.012  -6.926
  196   1HB   ASP  27          1HB       ASP  27  10.080   5.620  -5.949
  197   2HB   ASP  27          2HB       ASP  27  10.932   4.881  -7.284
  198    H    MET  28           H        MET  28  11.131   3.263  -4.197
  199    HA   MET  28           HA       MET  28  13.643   2.383  -5.232
  200   1HB   MET  28          1HB       MET  28  12.421   2.386  -2.547
  201   2HB   MET  28          2HB       MET  28  13.436   0.973  -2.766
  202   1HG   MET  28          1HG       MET  28  15.356   2.523  -3.505
  203   2HG   MET  28          2HG       MET  28  14.324   3.904  -3.102
  204   1HE   MET  28          1HE       MET  28  17.247   1.919  -1.523
  205   2HE   MET  28          2HE       MET  28  17.044   3.640  -1.968
  206   3HE   MET  28          3HE       MET  28  17.191   3.177  -0.248
  207    H    PHE  29           H        PHE  29  10.737   0.523  -4.502
  208    HA   PHE  29           HA       PHE  29  12.013  -2.109  -5.383
  209   1HB   PHE  29          1HB       PHE  29   9.747  -3.119  -4.710
  210   2HB   PHE  29          2HB       PHE  29   9.247  -1.545  -4.157
  211    HD1  PHE  29           HD1      PHE  29   9.137  -3.698  -2.227
  212    HD2  PHE  29           HD2      PHE  29  12.532  -1.253  -3.244
  213    HE1  PHE  29           HE1      PHE  29  10.090  -4.067   0.012
  214    HE2  PHE  29           HE2      PHE  29  13.469  -1.643  -1.003
  215    HZ   PHE  29           HZ       PHE  29  12.255  -3.046   0.626
  216    H    ASP  30           H        ASP  30   9.528   0.261  -6.217
  217    HA   ASP  30           HA       ASP  30   8.638  -1.244  -8.677
  218   1HB   ASP  30          1HB       ASP  30   7.696   1.537  -7.781
  219   2HB   ASP  30          2HB       ASP  30   7.010   0.047  -7.175
  220    H    ALA  31           H        ALA  31  10.530  -1.278  -9.862
  221    HA   ALA  31           HA       ALA  31  12.256   0.945 -10.598
  222   1HB   ALA  31          1HB       ALA  31  13.028  -0.516 -12.472
  223   2HB   ALA  31          2HB       ALA  31  12.921  -1.410 -10.943
  224   3HB   ALA  31          3HB       ALA  31  11.672  -1.636 -12.196
  225    H    ASP  32           H        ASP  32  10.114  -0.674 -12.924
  226    HA   ASP  32           HA       ASP  32   8.789   1.925 -13.757
  227   1HB   ASP  32          1HB       ASP  32  10.228   0.246 -15.885
  228   2HB   ASP  32          2HB       ASP  32  10.946   1.652 -15.133
  229    H    GLY  33           H        GLY  33   6.853   1.164 -13.109
  230   1HA   GLY  33          1HA       GLY  33   5.618  -1.172 -14.679
  231   2HA   GLY  33          2HA       GLY  33   5.387  -1.072 -12.930
  232    H    GLY  34           H        GLY  34   4.088   0.527 -12.035
  233   1HA   GLY  34          1HA       GLY  34   2.726   2.728 -13.416
  234   2HA   GLY  34          2HA       GLY  34   1.704   1.294 -13.559
  235    H    GLY  35           H        GLY  35   3.745   2.722 -10.993
  236   1HA   GLY  35          1HA       GLY  35   3.356   3.068  -8.621
  237   2HA   GLY  35          2HA       GLY  35   1.732   3.556  -9.120
  238    H    ASP  36           H        ASP  36   3.564   0.492  -9.015
  239    HA   ASP  36           HA       ASP  36   1.630  -0.804  -7.116
  240   1HB   ASP  36          1HB       ASP  36   1.061  -2.722  -8.666
  241   2HB   ASP  36          2HB       ASP  36   0.269  -1.204  -9.017
  242    H    ILE  37           H        ILE  37   2.441  -2.693  -6.242
  243    HA   ILE  37           HA       ILE  37   5.132  -3.813  -7.112
  244    HB   ILE  37           HB       ILE  37   6.260  -3.533  -5.030
  245   1HG1  ILE  37          1HG1      ILE  37   3.589  -2.622  -3.915
  246   2HG1  ILE  37          2HG1      ILE  37   4.990  -1.747  -3.335
  247   1HG2  ILE  37          1HG2      ILE  37   6.650  -1.066  -4.997
  248   2HG2  ILE  37          2HG2      ILE  37   6.438  -1.627  -6.661
  249   3HG2  ILE  37          3HG2      ILE  37   5.109  -0.774  -5.841
  250   1HD1  ILE  37          1HD1      ILE  37   6.061  -3.798  -2.454
  251   2HD1  ILE  37          2HD1      ILE  37   4.408  -3.633  -1.822
  252   3HD1  ILE  37          3HD1      ILE  37   4.745  -4.802  -3.120
  253    H    SER  38           H        SER  38   5.612  -5.768  -5.754
  254    HA   SER  38           HA       SER  38   3.475  -7.706  -5.875
  255   1HB   SER  38          1HB       SER  38   6.162  -7.925  -5.636
  256   2HB   SER  38          2HB       SER  38   5.744  -8.238  -3.950
  257    HG   SER  38           HG       SER  38   3.999  -9.588  -5.318
  258    H    THR  39           H        THR  39   2.281  -8.739  -4.280
  259    HA   THR  39           HA       THR  39   1.346  -7.008  -2.006
  260    HB   THR  39           HB       THR  39  -0.228  -8.285  -3.557
  261    HG1  THR  39           HG1      THR  39  -0.268  -8.100  -0.803
  262   1HG2  THR  39          1HG2      THR  39  -0.883 -10.583  -2.991
  263   2HG2  THR  39          2HG2      THR  39   0.833 -10.581  -3.461
  264   3HG2  THR  39          3HG2      THR  39   0.377 -10.701  -1.741
  265    H    LYS  40           H        LYS  40   3.194  -9.953  -2.542
  266    HA   LYS  40           HA       LYS  40   3.149 -11.018   0.203
  267   1HB   LYS  40          1HB       LYS  40   4.395 -11.745  -2.354
  268   2HB   LYS  40          2HB       LYS  40   3.903 -12.769  -1.022
  269   1HG   LYS  40          1HG       LYS  40   6.532 -11.207  -0.864
  270   2HG   LYS  40          2HG       LYS  40   6.062 -12.628   0.047
  271   1HD   LYS  40          1HD       LYS  40   6.480 -12.725  -3.009
  272   2HD   LYS  40          2HD       LYS  40   7.806 -12.891  -1.869
  273   1HE   LYS  40          1HE       LYS  40   5.367 -14.736  -1.645
  274   2HE   LYS  40          2HE       LYS  40   6.976 -14.979  -0.960
  275   1HZ   LYS  40          1HZ       LYS  40   6.183 -16.107  -3.218
  276   2HZ   LYS  40          2HZ       LYS  40   6.828 -14.736  -3.878
  277   3HZ   LYS  40          3HZ       LYS  40   7.769 -15.728  -2.950
  278    H    GLU  41           H        GLU  41   5.199  -8.768  -1.571
  279    HA   GLU  41           HA       GLU  41   7.315  -8.596   0.561
  280   1HB   GLU  41          1HB       GLU  41   7.237  -6.677  -1.781
  281   2HB   GLU  41          2HB       GLU  41   8.612  -7.332  -0.915
  282   1HG   GLU  41          1HG       GLU  41   6.846  -9.152  -2.657
  283   2HG   GLU  41          2HG       GLU  41   8.467  -9.475  -2.065
  284    H    LEU  42           H        LEU  42   4.442  -6.885  -0.447
  285    HA   LEU  42           HA       LEU  42   4.613  -4.236   0.258
  286   1HB   LEU  42          1HB       LEU  42   2.402  -6.254   0.564
  287   2HB   LEU  42          2HB       LEU  42   2.469  -4.792  -0.399
  288    HG   LEU  42           HG       LEU  42   2.268  -3.489   1.899
  289   1HD1  LEU  42          1HD1      LEU  42  -0.237  -3.637   1.816
  290   2HD1  LEU  42          2HD1      LEU  42   0.452  -3.506   0.191
  291   3HD1  LEU  42          3HD1      LEU  42  -0.133  -5.082   0.779
  292   1HD2  LEU  42          1HD2      LEU  42   1.211  -6.251   2.808
  293   2HD2  LEU  42          2HD2      LEU  42   2.662  -5.429   3.433
  294   3HD2  LEU  42          3HD2      LEU  42   1.060  -4.722   3.712
  295    H    GLY  43           H        GLY  43   4.023  -6.827   2.669
  296   1HA   GLY  43          1HA       GLY  43   4.130  -5.431   5.167
  297   2HA   GLY  43          2HA       GLY  43   4.812  -7.047   4.949
  298    H    THR  44           H        THR  44   6.962  -7.048   3.703
  299    HA   THR  44           HA       THR  44   9.082  -6.116   5.202
  300    HB   THR  44           HB       THR  44   8.983  -6.691   2.227
  301    HG1  THR  44           HG1      THR  44  10.162  -8.444   2.918
  302   1HG2  THR  44          1HG2      THR  44  11.481  -6.683   2.133
  303   2HG2  THR  44          2HG2      THR  44  10.843  -5.044   2.382
  304   3HG2  THR  44          3HG2      THR  44  11.554  -5.939   3.750
  305    H    VAL  45           H        VAL  45   7.501  -4.311   2.586
  306    HA   VAL  45           HA       VAL  45   9.350  -2.120   2.236
  307    HB   VAL  45           HB       VAL  45   6.345  -2.269   1.761
  308   1HG1  VAL  45          1HG1      VAL  45   6.424  -0.051   0.623
  309   2HG1  VAL  45          2HG1      VAL  45   6.800   0.127   2.341
  310   3HG1  VAL  45          3HG1      VAL  45   8.113   0.187   1.143
  311   1HG2  VAL  45          1HG2      VAL  45   8.711  -2.024  -0.213
  312   2HG2  VAL  45          2HG2      VAL  45   7.769  -3.499   0.102
  313   3HG2  VAL  45          3HG2      VAL  45   6.985  -2.104  -0.651
  314    H    MET  46           H        MET  46   6.460  -2.354   4.341
  315    HA   MET  46           HA       MET  46   6.680   0.264   5.636
  316   1HB   MET  46          1HB       MET  46   5.258  -2.317   6.464
  317   2HB   MET  46          2HB       MET  46   5.304  -0.927   7.534
  318   1HG   MET  46          1HG       MET  46   3.437  -0.161   6.471
  319   2HG   MET  46          2HG       MET  46   4.455   0.206   5.070
  320   1HE   MET  46          1HE       MET  46   1.391  -3.180   5.560
  321   2HE   MET  46          2HE       MET  46   2.790  -3.318   6.665
  322   3HE   MET  46          3HE       MET  46   1.782  -1.842   6.685
  323    NH1  ARG  47           NH1      ARG  47  10.602  -9.152   8.243
  324    NH2  ARG  47           NH2      ARG  47  12.378  -8.473   7.001
  325    H    ARG  47           H        ARG  47   8.166  -2.870   6.215
  326    HA   ARG  47           HA       ARG  47   9.164  -2.460   8.951
  327   1HB   ARG  47          1HB       ARG  47   9.046  -4.655   7.312
  328   2HB   ARG  47          2HB       ARG  47  10.733  -4.224   7.067
  329   1HG   ARG  47          1HG       ARG  47  11.331  -4.540   9.359
  330   2HG   ARG  47          2HG       ARG  47   9.663  -4.428   9.926
  331   1HD   ARG  47          1HD       ARG  47   9.908  -6.750  10.030
  332   2HD   ARG  47          2HD       ARG  47   9.301  -6.623   8.380
  333    HE   ARG  47           HE       ARG  47  12.304  -6.526   8.615
  334   1HH1  ARG  47          1HH1      ARG  47  12.382  -9.429   6.629
  335   2HH1  ARG  47          2HH1      ARG  47  13.012  -7.709   6.740
  336   1HH2  ARG  47          1HH2      ARG  47   9.832  -8.889   8.869
  337   2HH2  ARG  47          2HH2      ARG  47  10.786 -10.084   7.853
  338    H    MET  48           H        MET  48  10.471  -1.777   5.733
  339    HA   MET  48           HA       MET  48  13.146  -0.856   6.773
  340   1HB   MET  48          1HB       MET  48  13.188  -0.135   4.111
  341   2HB   MET  48          2HB       MET  48  11.972  -1.400   4.053
  342   1HG   MET  48          1HG       MET  48  14.162  -2.402   3.584
  343   2HG   MET  48          2HG       MET  48  14.871  -1.702   5.048
  344   1HE   MET  48          1HE       MET  48  15.225  -5.100   5.060
  345   2HE   MET  48          2HE       MET  48  13.619  -5.805   4.711
  346   3HE   MET  48          3HE       MET  48  14.330  -4.611   3.587
  347    H    LEU  49           H        LEU  49  10.302   0.525   7.135
  348    HA   LEU  49           HA       LEU  49  11.212   3.377   6.473
  349   1HB   LEU  49          1HB       LEU  49   8.713   3.891   7.125
  350   2HB   LEU  49          2HB       LEU  49   8.438   2.170   6.965
  351    HG   LEU  49           HG       LEU  49   9.020   2.185   4.579
  352   1HD1  LEU  49          1HD1      LEU  49   9.651   5.197   4.801
  353   2HD1  LEU  49          2HD1      LEU  49  10.882   3.925   4.710
  354   3HD1  LEU  49          3HD1      LEU  49   9.772   4.183   3.341
  355   1HD2  LEU  49          1HD2      LEU  49   7.178   3.537   3.669
  356   2HD2  LEU  49          2HD2      LEU  49   6.659   2.946   5.266
  357   3HD2  LEU  49          3HD2      LEU  49   7.195   4.623   5.082
  358    H    GLY  50           H        GLY  50  10.111   1.125   8.959
  359   1HA   GLY  50          1HA       GLY  50  11.620   1.736  11.182
  360   2HA   GLY  50          2HA       GLY  50  10.542   3.136  11.203
  361    H    GLN  51           H        GLN  51  10.229  -0.387  10.714
  362    HA   GLN  51           HA       GLN  51   8.186  -0.565  12.984
  363   1HB   GLN  51          1HB       GLN  51   7.723  -1.858  10.230
  364   2HB   GLN  51          2HB       GLN  51   6.726  -2.067  11.659
  365   1HG   GLN  51          1HG       GLN  51   7.153   0.762  10.600
  366   2HG   GLN  51          2HG       GLN  51   6.077  -0.308   9.725
  367   1HE2  GLN  51          1HE2      GLN  51   4.174   1.645  12.430
  368   2HE2  GLN  51          2HE2      GLN  51   5.283   2.088  11.037
  369    H    ASN  52           H        ASN  52   7.940  -2.788  13.722
  370    HA   ASN  52           HA       ASN  52  10.375  -4.547  13.226
  371   1HB   ASN  52          1HB       ASN  52   9.455  -4.060  16.084
  372   2HB   ASN  52          2HB       ASN  52  10.445  -2.849  15.298
  373   1HD2  ASN  52          1HD2      ASN  52  13.094  -4.875  16.758
  374   2HD2  ASN  52          2HD2      ASN  52  12.175  -3.287  16.753
  375    HA   PRO  53           HA       PRO  53   6.293  -7.006  14.071
  376   1HB   PRO  53          1HB       PRO  53   5.248  -7.552  11.589
  377   2HB   PRO  53          2HB       PRO  53   5.018  -6.013  12.432
  378   1HG   PRO  53          1HG       PRO  53   5.951  -5.106  10.511
  379   2HG   PRO  53          2HG       PRO  53   6.861  -6.572  10.078
  380   1HD   PRO  53          1HD       PRO  53   7.728  -4.225  11.693
  381   2HD   PRO  53          2HD       PRO  53   8.728  -5.585  11.099
  382    H    THR  54           H        THR  54   5.648  -9.275  12.915
  383    HA   THR  54           HA       THR  54   8.206 -10.913  12.536
  384    HB   THR  54           HB       THR  54   7.383 -12.664  13.693
  385    HG1  THR  54           HG1      THR  54   4.690 -12.004  13.258
  386   1HG2  THR  54          1HG2      THR  54   5.969 -12.082  15.637
  387   2HG2  THR  54          2HG2      THR  54   7.148 -10.783  15.343
  388   3HG2  THR  54          3HG2      THR  54   5.446 -10.568  14.860
  389    H    LYS  55           H        LYS  55   7.486 -13.067  11.296
  390    HA   LYS  55           HA       LYS  55   6.886 -12.120   8.497
  391   1HB   LYS  55          1HB       LYS  55   7.873 -14.092   7.701
  392   2HB   LYS  55          2HB       LYS  55   7.427 -15.048   9.099
  393   1HG   LYS  55          1HG       LYS  55   9.421 -12.810   9.559
  394   2HG   LYS  55          2HG       LYS  55   9.297 -14.366  10.355
  395   1HD   LYS  55          1HD       LYS  55  10.094 -14.347   7.404
  396   2HD   LYS  55          2HD       LYS  55  11.253 -13.758   8.584
  397   1HE   LYS  55          1HE       LYS  55  10.653 -16.077   9.866
  398   2HE   LYS  55          2HE       LYS  55  10.204 -16.597   8.241
  399   1HZ   LYS  55          1HZ       LYS  55  12.561 -15.530   7.698
  400   2HZ   LYS  55          2HZ       LYS  55  12.845 -15.874   9.289
  401   3HZ   LYS  55          3HZ       LYS  55  12.421 -17.082   8.245
  402    H    GLU  56           H        GLU  56   5.523 -14.165  11.025
  403    HA   GLU  56           HA       GLU  56   3.376 -15.424   9.436
  404   1HB   GLU  56          1HB       GLU  56   3.849 -15.182  12.439
  405   2HB   GLU  56          2HB       GLU  56   2.357 -15.857  11.815
  406   1HG   GLU  56          1HG       GLU  56   5.176 -17.003  11.705
  407   2HG   GLU  56          2HG       GLU  56   4.094 -17.420  10.387
  408    H    GLU  57           H        GLU  57   3.695 -12.488  11.354
  409    HA   GLU  57           HA       GLU  57   0.835 -11.708  11.448
  410   1HB   GLU  57          1HB       GLU  57   3.255  -9.849  11.714
  411   2HB   GLU  57          2HB       GLU  57   1.601  -9.487  12.167
  412   1HG   GLU  57          1HG       GLU  57   2.807 -11.929  13.500
  413   2HG   GLU  57          2HG       GLU  57   3.542 -10.390  13.915
  414    H    LEU  58           H        LEU  58   3.513 -11.285   9.205
  415    HA   LEU  58           HA       LEU  58   2.516  -9.244   7.425
  416   1HB   LEU  58          1HB       LEU  58   4.801 -10.668   7.446
  417   2HB   LEU  58          2HB       LEU  58   3.961 -11.669   6.281
  418    HG   LEU  58           HG       LEU  58   4.862  -8.765   6.003
  419   1HD1  LEU  58          1HD1      LEU  58   5.798  -9.612   3.827
  420   2HD1  LEU  58          2HD1      LEU  58   6.418 -10.538   5.201
  421   3HD1  LEU  58          3HD1      LEU  58   5.147 -11.235   4.167
  422   1HD2  LEU  58          1HD2      LEU  58   2.720 -10.064   4.188
  423   2HD2  LEU  58          2HD2      LEU  58   2.452  -8.703   5.306
  424   3HD2  LEU  58          3HD2      LEU  58   3.523  -8.498   3.908
  425    H    ASP  59           H        ASP  59   1.932 -12.752   7.482
  426    HA   ASP  59           HA       ASP  59   0.258 -12.847   5.040
  427   1HB   ASP  59          1HB       ASP  59   0.216 -15.004   7.214
  428   2HB   ASP  59          2HB       ASP  59  -0.207 -15.154   5.521
  429    H    ALA  60           H        ALA  60  -0.308 -12.123   8.403
  430    HA   ALA  60           HA       ALA  60  -3.136 -12.467   8.769
  431   1HB   ALA  60          1HB       ALA  60  -3.023 -10.556  10.360
  432   2HB   ALA  60          2HB       ALA  60  -1.651 -11.660  10.576
  433   3HB   ALA  60          3HB       ALA  60  -1.416 -10.099   9.748
  434    H    ILE  61           H        ILE  61  -1.372  -9.780   7.200
  435    HA   ILE  61           HA       ILE  61  -3.506  -8.049   6.487
  436    HB   ILE  61           HB       ILE  61  -0.951  -8.545   4.881
  437   1HG1  ILE  61          1HG1      ILE  61  -1.391  -6.028   6.542
  438   2HG1  ILE  61          2HG1      ILE  61  -1.029  -7.500   7.417
  439   1HG2  ILE  61          1HG2      ILE  61  -1.381  -6.344   3.757
  440   2HG2  ILE  61          2HG2      ILE  61  -2.676  -7.486   3.404
  441   3HG2  ILE  61          3HG2      ILE  61  -2.942  -6.197   4.600
  442   1HD1  ILE  61          1HD1      ILE  61   0.809  -6.270   5.281
  443   2HD1  ILE  61          2HD1      ILE  61   1.059  -6.312   7.039
  444   3HD1  ILE  61          3HD1      ILE  61   1.102  -7.826   6.105
  445    H    ILE  62           H        ILE  62  -2.208 -10.928   4.869
  446    HA   ILE  62           HA       ILE  62  -3.687 -10.876   2.374
  447    HB   ILE  62           HB       ILE  62  -2.884 -12.936   1.890
  448   1HG1  ILE  62          1HG1      ILE  62  -2.402 -14.567   4.162
  449   2HG1  ILE  62          2HG1      ILE  62  -3.913 -13.782   4.569
  450   1HG2  ILE  62          1HG2      ILE  62  -0.662 -13.354   2.969
  451   2HG2  ILE  62          2HG2      ILE  62  -0.901 -11.627   2.710
  452   3HG2  ILE  62          3HG2      ILE  62  -1.107 -12.308   4.340
  453   1HD1  ILE  62          1HD1      ILE  62  -3.475 -15.472   2.037
  454   2HD1  ILE  62          2HD1      ILE  62  -4.432 -15.889   3.474
  455   3HD1  ILE  62          3HD1      ILE  62  -4.967 -14.567   2.412
  456    H    GLU  63           H        GLU  63  -4.527 -12.077   5.594
  457    HA   GLU  63           HA       GLU  63  -7.093 -13.302   5.051
  458   1HB   GLU  63          1HB       GLU  63  -5.611 -13.012   7.318
  459   2HB   GLU  63          2HB       GLU  63  -6.820 -11.786   7.643
  460   1HG   GLU  63          1HG       GLU  63  -8.607 -13.678   7.125
  461   2HG   GLU  63          2HG       GLU  63  -7.773 -13.672   8.669
  462    H    GLU  64           H        GLU  64  -6.278  -9.933   5.897
  463    HA   GLU  64           HA       GLU  64  -9.097  -9.041   5.086
  464   1HB   GLU  64          1HB       GLU  64  -7.649  -8.586   7.514
  465   2HB   GLU  64          2HB       GLU  64  -7.683  -7.042   6.687
  466   1HG   GLU  64          1HG       GLU  64 -10.090  -6.910   6.738
  467   2HG   GLU  64          2HG       GLU  64 -10.284  -8.635   6.998
  468    H    VAL  65           H        VAL  65  -7.016  -9.487   3.215
  469    HA   VAL  65           HA       VAL  65  -7.114  -6.836   1.803
  470    HB   VAL  65           HB       VAL  65  -4.375  -8.064   2.409
  471   1HG1  VAL  65          1HG1      VAL  65  -3.403  -6.191   1.067
  472   2HG1  VAL  65          2HG1      VAL  65  -4.449  -7.211   0.060
  473   3HG1  VAL  65          3HG1      VAL  65  -5.032  -5.625   0.622
  474   1HG2  VAL  65          1HG2      VAL  65  -5.515  -5.317   3.277
  475   2HG2  VAL  65          2HG2      VAL  65  -5.179  -6.702   4.344
  476   3HG2  VAL  65          3HG2      VAL  65  -3.843  -5.879   3.527
  477    H    ASP  66           H        ASP  66  -5.397  -9.991   1.682
  478    HA   ASP  66           HA       ASP  66  -6.183 -10.382  -1.213
  479   1HB   ASP  66          1HB       ASP  66  -4.549 -12.441   0.320
  480   2HB   ASP  66          2HB       ASP  66  -3.812 -10.907  -0.079
  481    H    GLU  67           H        GLU  67  -8.364 -10.312   0.303
  482    HA   GLU  67           HA       GLU  67  -9.395 -12.966   1.181
  483   1HB   GLU  67          1HB       GLU  67 -10.827 -10.342   0.545
  484   2HB   GLU  67          2HB       GLU  67 -11.697 -11.807   0.953
  485   1HG   GLU  67          1HG       GLU  67 -10.580 -11.888   3.203
  486   2HG   GLU  67          2HG       GLU  67  -9.594 -10.494   2.792
  487    H    ASP  68           H        ASP  68  -9.907 -10.901  -1.693
  488    HA   ASP  68           HA       ASP  68 -10.871 -13.289  -3.325
  489   1HB   ASP  68          1HB       ASP  68 -11.883 -11.861  -4.858
  490   2HB   ASP  68          2HB       ASP  68 -12.145 -11.029  -3.342
  491    H    GLY  69           H        GLY  69  -9.989 -12.189  -5.827
  492   1HA   GLY  69          1HA       GLY  69  -7.133 -13.144  -5.883
  493   2HA   GLY  69          2HA       GLY  69  -8.115 -12.728  -7.292
  494    H    SER  70           H        SER  70  -6.464 -11.267  -4.508
  495    HA   SER  70           HA       SER  70  -6.010  -8.653  -6.031
  496   1HB   SER  70          1HB       SER  70  -6.064  -9.360  -3.086
  497   2HB   SER  70          2HB       SER  70  -5.024  -8.030  -3.604
  498    HG   SER  70           HG       SER  70  -6.990  -7.196  -3.212
  499    H    GLY  71           H        GLY  71  -4.497  -9.732  -7.446
  500   1HA   GLY  71          1HA       GLY  71  -1.990 -11.033  -6.476
  501   2HA   GLY  71          2HA       GLY  71  -2.345 -10.597  -8.150
  502    H    THR  72           H        THR  72  -2.996  -7.818  -7.500
  503    HA   THR  72           HA       THR  72  -0.182  -6.738  -7.021
  504    HB   THR  72           HB       THR  72  -0.884  -4.830  -8.644
  505    HG1  THR  72           HG1      THR  72  -2.829  -5.111  -9.213
  506   1HG2  THR  72          1HG2      THR  72  -0.518  -7.412 -10.216
  507   2HG2  THR  72          2HG2      THR  72   0.192  -5.807 -10.499
  508   3HG2  THR  72          3HG2      THR  72   0.812  -6.839  -9.184
  509    H    ILE  73           H        ILE  73  -0.016  -4.682  -6.068
  510    HA   ILE  73           HA       ILE  73  -2.512  -3.566  -4.743
  511    HB   ILE  73           HB       ILE  73  -1.364  -4.884  -3.058
  512   1HG1  ILE  73          1HG1      ILE  73  -2.029  -3.462  -1.431
  513   2HG1  ILE  73          2HG1      ILE  73  -2.404  -2.357  -2.741
  514   1HG2  ILE  73          1HG2      ILE  73   0.858  -4.396  -2.103
  515   2HG2  ILE  73          2HG2      ILE  73   1.038  -4.726  -3.832
  516   3HG2  ILE  73          3HG2      ILE  73   1.112  -3.049  -3.237
  517   1HD1  ILE  73          1HD1      ILE  73   0.059  -1.423  -2.463
  518   2HD1  ILE  73          2HD1      ILE  73  -1.174  -0.994  -1.258
  519   3HD1  ILE  73          3HD1      ILE  73   0.023  -2.257  -0.885
  520    H    ASP  74           H        ASP  74  -2.488  -1.325  -4.349
  521    HA   ASP  74           HA       ASP  74  -0.633   0.236  -6.228
  522   1HB   ASP  74          1HB       ASP  74  -2.715   1.887  -6.289
  523   2HB   ASP  74          2HB       ASP  74  -2.586   0.520  -7.372
  524    H    PHE  75           H        PHE  75  -0.707   2.651  -5.651
  525    HA   PHE  75           HA       PHE  75   0.565   2.918  -2.995
  526   1HB   PHE  75          1HB       PHE  75   1.376   4.166  -4.987
  527   2HB   PHE  75          2HB       PHE  75  -0.122   5.052  -5.104
  528    HD1  PHE  75           HD1      PHE  75  -0.485   7.051  -3.724
  529    HD2  PHE  75           HD2      PHE  75   2.899   4.517  -2.919
  530    HE1  PHE  75           HE1      PHE  75   0.497   8.798  -2.295
  531    HE2  PHE  75           HE2      PHE  75   3.866   6.279  -1.496
  532    HZ   PHE  75           HZ       PHE  75   2.643   8.394  -1.136
  533    H    GLU  76           H        GLU  76  -2.580   3.653  -4.386
  534    HA   GLU  76           HA       GLU  76  -3.673   5.423  -2.347
  535   1HB   GLU  76          1HB       GLU  76  -5.010   3.573  -4.367
  536   2HB   GLU  76          2HB       GLU  76  -5.965   4.430  -3.174
  537   1HG   GLU  76          1HG       GLU  76  -5.880   5.629  -5.374
  538   2HG   GLU  76          2HG       GLU  76  -4.131   5.744  -5.280
  539    H    GLU  77           H        GLU  77  -4.034   1.897  -2.790
  540    HA   GLU  77           HA       GLU  77  -5.465   1.303  -0.295
  541   1HB   GLU  77          1HB       GLU  77  -3.888  -0.413  -2.240
  542   2HB   GLU  77          2HB       GLU  77  -4.331  -1.082  -0.682
  543   1HG   GLU  77          1HG       GLU  77  -6.684  -1.010  -1.158
  544   2HG   GLU  77          2HG       GLU  77  -6.507   0.213  -2.404
  545    H    PHE  78           H        PHE  78  -2.072   1.672  -1.157
  546    HA   PHE  78           HA       PHE  78  -0.792   0.503   1.167
  547   1HB   PHE  78          1HB       PHE  78   0.439   1.084  -0.915
  548   2HB   PHE  78          2HB       PHE  78   0.217   2.790  -0.630
  549    HD1  PHE  78           HD1      PHE  78   1.098   3.537   1.929
  550    HD2  PHE  78           HD2      PHE  78   2.531   0.171  -0.336
  551    HE1  PHE  78           HE1      PHE  78   3.232   3.606   3.155
  552    HE2  PHE  78           HE2      PHE  78   4.668   0.275   0.879
  553    HZ   PHE  78           HZ       PHE  78   5.013   1.971   2.643
  554    H    LEU  79           H        LEU  79  -1.996   3.786   0.524
  555    HA   LEU  79           HA       LEU  79  -1.040   5.065   3.021
  556   1HB   LEU  79          1HB       LEU  79  -2.734   6.876   2.451
  557   2HB   LEU  79          2HB       LEU  79  -3.300   5.901   1.111
  558    HG   LEU  79           HG       LEU  79  -0.976   6.019   0.065
  559   1HD1  LEU  79          1HD1      LEU  79  -0.364   8.120   2.240
  560   2HD1  LEU  79          2HD1      LEU  79   0.301   6.476   2.227
  561   3HD1  LEU  79          3HD1      LEU  79   0.711   7.609   0.914
  562   1HD2  LEU  79          1HD2      LEU  79  -1.226   8.297  -0.824
  563   2HD2  LEU  79          2HD2      LEU  79  -2.866   7.659  -0.544
  564   3HD2  LEU  79          3HD2      LEU  79  -2.167   8.816   0.598
  565    H    VAL  80           H        VAL  80  -3.927   3.318   2.004
  566    HA   VAL  80           HA       VAL  80  -5.717   3.967   4.206
  567    HB   VAL  80           HB       VAL  80  -5.681   1.836   2.098
  568   1HG1  VAL  80          1HG1      VAL  80  -8.024   3.561   3.114
  569   2HG1  VAL  80          2HG1      VAL  80  -6.879   4.117   1.886
  570   3HG1  VAL  80          3HG1      VAL  80  -7.894   2.693   1.562
  571   1HG2  VAL  80          1HG2      VAL  80  -7.528   0.513   3.016
  572   2HG2  VAL  80          2HG2      VAL  80  -6.218   0.478   4.219
  573   3HG2  VAL  80          3HG2      VAL  80  -7.620   1.526   4.478
  574    H    MET  81           H        MET  81  -3.162   1.574   3.793
  575    HA   MET  81           HA       MET  81  -3.706  -0.086   6.159
  576   1HB   MET  81          1HB       MET  81  -0.982   0.235   4.772
  577   2HB   MET  81          2HB       MET  81  -1.488  -1.077   5.821
  578   1HG   MET  81          1HG       MET  81  -2.598  -0.473   3.010
  579   2HG   MET  81          2HG       MET  81  -1.579  -1.839   3.491
  580   1HE   MET  81          1HE       MET  81  -3.006  -4.387   4.463
  581   2HE   MET  81          2HE       MET  81  -2.095  -3.262   5.514
  582   3HE   MET  81          3HE       MET  81  -3.721  -3.819   6.005
  583    H    MET  82           H        MET  82  -1.398   2.567   5.530
  584    HA   MET  82           HA       MET  82  -0.029   2.612   8.078
  585   1HB   MET  82          1HB       MET  82   0.619   4.975   7.557
  586   2HB   MET  82          2HB       MET  82  -0.556   5.029   6.256
  587   1HG   MET  82          1HG       MET  82   0.765   2.991   5.203
  588   2HG   MET  82          2HG       MET  82   1.478   4.610   5.116
  589   1HE   MET  82          1HE       MET  82   4.210   4.855   7.602
  590   2HE   MET  82          2HE       MET  82   2.654   5.616   7.155
  591   3HE   MET  82          3HE       MET  82   2.781   4.673   8.668
  592    H    VAL  83           H        VAL  83  -2.726   4.687   6.964
  593    HA   VAL  83           HA       VAL  83  -3.349   6.123   9.345
  594    HB   VAL  83           HB       VAL  83  -5.339   5.113   7.250
  595   1HG1  VAL  83          1HG1      VAL  83  -6.903   6.886   8.063
  596   2HG1  VAL  83          2HG1      VAL  83  -6.590   5.699   9.337
  597   3HG1  VAL  83          3HG1      VAL  83  -5.790   7.287   9.396
  598   1HG2  VAL  83          1HG2      VAL  83  -3.991   7.882   7.522
  599   2HG2  VAL  83          2HG2      VAL  83  -3.635   6.672   6.267
  600   3HG2  VAL  83          3HG2      VAL  83  -5.231   7.434   6.321
  601    NH1  ARG  84           NH1      ARG  84  -9.886  -1.188   8.600
  602    NH2  ARG  84           NH2      ARG  84  -8.804  -1.574   6.641
  603    H    ARG  84           H        ARG  84  -4.056   2.786   8.473
  604    HA   ARG  84           HA       ARG  84  -5.907   2.041  10.620
  605   1HB   ARG  84          1HB       ARG  84  -3.922  -0.008   9.574
  606   2HB   ARG  84          2HB       ARG  84  -5.018   0.738   8.421
  607   1HG   ARG  84          1HG       ARG  84  -5.899  -1.426   9.360
  608   2HG   ARG  84          2HG       ARG  84  -5.941  -0.716  10.975
  609   1HD   ARG  84          1HD       ARG  84  -8.171  -0.367  10.313
  610   2HD   ARG  84          2HD       ARG  84  -7.463   1.180   9.853
  611    HE   ARG  84           HE       ARG  84  -7.425   0.399   7.449
  612   1HH1  ARG  84          1HH1      ARG  84  -9.566  -2.232   6.441
  613   2HH1  ARG  84          2HH1      ARG  84  -8.024  -1.330   6.021
  614   1HH2  ARG  84          1HH2      ARG  84  -9.856  -0.782   9.542
  615   2HH2  ARG  84          2HH2      ARG  84 -10.649  -1.742   8.195
  616    H    GLN  85           H        GLN  85  -2.477   1.047  10.377
  617    HA   GLN  85           HA       GLN  85  -2.256   0.169  13.164
  618   1HB   GLN  85          1HB       GLN  85   0.297   0.970  11.787
  619   2HB   GLN  85          2HB       GLN  85  -0.711  -0.160  10.898
  620   1HG   GLN  85          1HG       GLN  85  -0.703  -1.767  12.802
  621   2HG   GLN  85          2HG       GLN  85   0.185  -0.640  13.807
  622   1HE2  GLN  85          1HE2      GLN  85   2.592  -3.137  12.208
  623   2HE2  GLN  85          2HE2      GLN  85   0.997  -3.306  13.098
  624    H    MET  86           H        MET  86  -0.556   2.888  11.586
  625    HA   MET  86           HA       MET  86   0.669   4.162  13.772
  626   1HB   MET  86          1HB       MET  86  -0.432   6.251  12.013
  627   2HB   MET  86          2HB       MET  86   0.134   4.892  11.060
  628   1HG   MET  86          1HG       MET  86   2.041   5.817  13.223
  629   2HG   MET  86          2HG       MET  86   2.377   5.251  11.579
  630   1HE   MET  86          1HE       MET  86   3.197   8.319  13.460
  631   2HE   MET  86          2HE       MET  86   1.975   9.547  13.018
  632   3HE   MET  86          3HE       MET  86   1.488   8.102  13.952
  633    H    LYS  87           H        LYS  87  -2.722   4.289  12.852
  634    HA   LYS  87           HA       LYS  87  -3.581   6.433  14.704
  635   1HB   LYS  87          1HB       LYS  87  -5.002   5.924  12.795
  636   2HB   LYS  87          2HB       LYS  87  -5.166   4.240  13.248
  637   1HG   LYS  87          1HG       LYS  87  -6.130   6.237  15.298
  638   2HG   LYS  87          2HG       LYS  87  -6.795   4.674  14.867
  639   1HD   LYS  87          1HD       LYS  87  -7.023   6.791  12.711
  640   2HD   LYS  87          2HD       LYS  87  -8.144   5.523  13.181
  641   1HE   LYS  87          1HE       LYS  87  -9.077   6.775  14.994
  642   2HE   LYS  87          2HE       LYS  87  -7.710   7.887  15.088
  643   1HZ   LYS  87          1HZ       LYS  87  -9.167   9.171  13.932
  644   2HZ   LYS  87          2HZ       LYS  87  -8.546   8.397  12.611
  645   3HZ   LYS  87          3HZ       LYS  87  -9.986   7.906  13.255
  646    H    GLU  88           H        GLU  88  -3.991   2.869  14.794
  647    HA   GLU  88           HA       GLU  88  -4.871   2.721  17.598
  648   1HB   GLU  88          1HB       GLU  88  -3.949   0.649  15.579
  649   2HB   GLU  88          2HB       GLU  88  -4.071   0.195  17.267
  650   1HG   GLU  88          1HG       GLU  88  -6.474   1.552  15.940
  651   2HG   GLU  88          2HG       GLU  88  -6.128  -0.127  15.561
  652    H    ASP  89           H        ASP  89  -3.568   1.331  19.177
  653    HA   ASP  89           HA       ASP  89  -0.566   1.674  19.082
  654   1HB   ASP  89          1HB       ASP  89  -2.263   3.082  21.210
  655   2HB   ASP  89          2HB       ASP  89  -1.137   3.801  20.082
  656    H    ALA  90           H        ALA  90  -2.867   1.117  21.744
  657    HA   ALA  90           HA       ALA  90  -1.456  -1.426  22.544
  658   1HB   ALA  90          1HB       ALA  90  -2.627  -1.290  24.617
  659   2HB   ALA  90          2HB       ALA  90  -2.417   0.420  24.191
  660   3HB   ALA  90          3HB       ALA  90  -3.992  -0.371  23.933
   
  Start of MODEL           7
 Raw file had  660 H/Q atoms
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1 -17.232  -1.462   2.419
    2   2H    ALA   1          2H        ALA   1 -17.419  -2.853   3.346
    3   3H    ALA   1          3H        ALA   1 -17.723  -2.898   1.692
    4    HA   ALA   1           HA       ALA   1 -19.671  -1.767   1.811
    5   1HB   ALA   1          1HB       ALA   1 -21.018  -3.134   3.191
    6   2HB   ALA   1          2HB       ALA   1 -19.555  -4.127   3.044
    7   3HB   ALA   1          3HB       ALA   1 -19.843  -3.181   4.527
    8    H    SER   2           H        SER   2 -17.920  -1.550   4.913
    9    HA   SER   2           HA       SER   2 -19.442   0.903   5.806
   10   1HB   SER   2          1HB       SER   2 -17.399  -0.918   7.154
   11   2HB   SER   2          2HB       SER   2 -17.812   0.650   7.852
   12    HG   SER   2           HG       SER   2 -19.919  -0.960   6.989
   13    H    MET   3           H        MET   3 -16.295  -0.037   4.543
   14    HA   MET   3           HA       MET   3 -15.145   2.766   4.830
   15   1HB   MET   3          1HB       MET   3 -12.979   1.777   4.134
   16   2HB   MET   3          2HB       MET   3 -13.744   0.232   3.811
   17   1HG   MET   3          1HG       MET   3 -12.737   1.297   6.370
   18   2HG   MET   3          2HG       MET   3 -14.430   0.806   6.540
   19   1HE   MET   3          1HE       MET   3 -11.982  -1.586   3.821
   20   2HE   MET   3          2HE       MET   3 -11.387  -0.039   4.495
   21   3HE   MET   3          3HE       MET   3 -10.796  -1.588   5.164
   22    H    THR   4           H        THR   4 -17.357   2.306   3.093
   23    HA   THR   4           HA       THR   4 -16.824   2.056   0.268
   24    HB   THR   4           HB       THR   4 -18.714   3.969   0.131
   25    HG1  THR   4           HG1      THR   4 -18.406   4.152   2.509
   26   1HG2  THR   4          1HG2      THR   4 -20.489   2.265   0.299
   27   2HG2  THR   4          2HG2      THR   4 -19.112   1.580  -0.592
   28   3HG2  THR   4          3HG2      THR   4 -19.400   1.115   1.105
   29    H    ASP   5           H        ASP   5 -15.961   4.555   2.546
   30    HA   ASP   5           HA       ASP   5 -14.287   5.970   0.480
   31   1HB   ASP   5          1HB       ASP   5 -16.815   7.198   1.506
   32   2HB   ASP   5          2HB       ASP   5 -15.413   8.230   1.664
   33    H    GLN   6           H        GLN   6 -13.492   4.375   2.500
   34    HA   GLN   6           HA       GLN   6 -12.529   6.038   4.847
   35   1HB   GLN   6          1HB       GLN   6 -13.180   3.531   5.007
   36   2HB   GLN   6          2HB       GLN   6 -11.696   3.177   4.139
   37   1HG   GLN   6          1HG       GLN   6 -10.731   4.811   6.199
   38   2HG   GLN   6          2HG       GLN   6 -12.071   4.014   6.997
   39   1HE2  GLN   6          1HE2      GLN   6  -9.675   1.407   7.679
   40   2HE2  GLN   6          2HE2      GLN   6 -10.685   2.791   8.334
   41    H    GLN   7           H        GLN   7 -11.389   4.605   1.826
   42    HA   GLN   7           HA       GLN   7  -8.535   4.837   2.034
   43   1HB   GLN   7          1HB       GLN   7  -9.932   5.505  -0.603
   44   2HB   GLN   7          2HB       GLN   7  -8.380   4.731  -0.337
   45   1HG   GLN   7          1HG       GLN   7  -9.345   2.706  -0.543
   46   2HG   GLN   7          2HG       GLN   7 -10.246   2.975   0.934
   47   1HE2  GLN   7          1HE2      GLN   7 -12.282   2.735  -2.543
   48   2HE2  GLN   7          2HE2      GLN   7 -10.521   2.277  -2.313
   49    H    ALA   8           H        ALA   8 -10.887   7.261   0.846
   50    HA   ALA   8           HA       ALA   8  -8.995   9.373   0.149
   51   1HB   ALA   8          1HB       ALA   8 -11.677   9.015  -0.258
   52   2HB   ALA   8          2HB       ALA   8 -11.742  10.229   1.034
   53   3HB   ALA   8          3HB       ALA   8 -10.861  10.581  -0.474
   54    H    GLU   9           H        GLU   9 -10.607   8.461   3.146
   55    HA   GLU   9           HA       GLU   9 -10.094  10.907   4.728
   56   1HB   GLU   9          1HB       GLU   9 -11.381   9.948   6.270
   57   2HB   GLU   9          2HB       GLU   9 -11.654   8.653   5.121
   58   1HG   GLU   9          1HG       GLU   9  -9.802   7.299   6.168
   59   2HG   GLU   9          2HG       GLU   9  -9.440   8.614   7.273
   60    H    ALA  10           H        ALA  10  -8.354   7.916   4.051
   61    HA   ALA  10           HA       ALA  10  -6.229   8.048   6.047
   62   1HB   ALA  10          1HB       ALA  10  -4.983   6.492   4.556
   63   2HB   ALA  10          2HB       ALA  10  -6.676   5.995   4.735
   64   3HB   ALA  10          3HB       ALA  10  -6.135   6.786   3.233
   65    NH1  ARG  11           NH1      ARG  11  -6.786  14.806  -0.855
   66    NH2  ARG  11           NH2      ARG  11  -8.376  13.915  -2.211
   67    H    ARG  11           H        ARG  11  -6.555   9.417   2.788
   68    HA   ARG  11           HA       ARG  11  -3.807  10.562   2.589
   69   1HB   ARG  11          1HB       ARG  11  -4.801  10.096   0.483
   70   2HB   ARG  11          2HB       ARG  11  -6.349  10.799   0.934
   71   1HG   ARG  11          1HG       ARG  11  -5.376  13.108   0.896
   72   2HG   ARG  11          2HG       ARG  11  -3.789  12.454   0.483
   73   1HD   ARG  11          1HD       ARG  11  -4.657  13.109  -1.638
   74   2HD   ARG  11          2HD       ARG  11  -4.933  11.369  -1.620
   75    HE   ARG  11           HE       ARG  11  -7.348  11.754  -1.371
   76   1HH1  ARG  11          1HH1      ARG  11  -8.730  14.875  -2.294
   77   2HH1  ARG  11          2HH1      ARG  11  -8.787  13.070  -2.623
   78   1HH2  ARG  11          1HH2      ARG  11  -5.882  14.684  -0.386
   79   2HH2  ARG  11          2HH2      ARG  11  -7.356  15.660  -0.880
   80    H    ALA  12           H        ALA  12  -6.974  11.646   3.688
   81    HA   ALA  12           HA       ALA  12  -6.161  14.514   4.054
   82   1HB   ALA  12          1HB       ALA  12  -8.484  14.834   4.884
   83   2HB   ALA  12          2HB       ALA  12  -8.473  13.963   3.338
   84   3HB   ALA  12          3HB       ALA  12  -8.774  13.078   4.854
   85    H    PHE  13           H        PHE  13  -4.939  12.124   5.623
   86    HA   PHE  13           HA       PHE  13  -5.253  13.334   8.420
   87   1HB   PHE  13          1HB       PHE  13  -5.945  10.940   8.287
   88   2HB   PHE  13          2HB       PHE  13  -4.385  10.480   7.657
   89    HD1  PHE  13           HD1      PHE  13  -3.746   8.974   9.471
   90    HD2  PHE  13           HD2      PHE  13  -4.874  13.021  10.411
   91    HE1  PHE  13           HE1      PHE  13  -2.921   8.683  11.771
   92    HE2  PHE  13           HE2      PHE  13  -4.053  12.705  12.708
   93    HZ   PHE  13           HZ       PHE  13  -3.054  10.549  13.386
   94    H    LEU  14           H        LEU  14  -3.061  12.194   5.900
   95    HA   LEU  14           HA       LEU  14  -0.567  13.166   7.313
   96   1HB   LEU  14          1HB       LEU  14  -0.402  12.291   4.438
   97   2HB   LEU  14          2HB       LEU  14   0.682  11.977   5.776
   98    HG   LEU  14           HG       LEU  14  -2.033  10.601   5.844
   99   1HD1  LEU  14          1HD1      LEU  14  -1.236   8.758   4.358
  100   2HD1  LEU  14          2HD1      LEU  14  -1.329  10.286   3.464
  101   3HD1  LEU  14          3HD1      LEU  14   0.255   9.663   3.989
  102   1HD2  LEU  14          1HD2      LEU  14   0.810   9.665   6.625
  103   2HD2  LEU  14          2HD2      LEU  14  -0.455  10.226   7.745
  104   3HD2  LEU  14          3HD2      LEU  14  -0.688   8.724   6.838
  105    H    SER  15           H        SER  15   0.930  14.255   5.419
  106    HA   SER  15           HA       SER  15  -0.509  16.827   4.617
  107   1HB   SER  15          1HB       SER  15   2.296  16.194   5.518
  108   2HB   SER  15          2HB       SER  15   2.119  17.487   4.329
  109    HG   SER  15           HG       SER  15   1.911  17.936   6.687
  110    H    GLU  16           H        GLU  16   0.256  17.845   2.601
  111    HA   GLU  16           HA       GLU  16   0.152  15.997   0.276
  112   1HB   GLU  16          1HB       GLU  16  -0.640  18.607   0.654
  113   2HB   GLU  16          2HB       GLU  16   0.851  18.870  -0.228
  114   1HG   GLU  16          1HG       GLU  16  -0.166  17.044  -1.937
  115   2HG   GLU  16          2HG       GLU  16  -1.690  17.444  -1.161
  116    H    GLU  17           H        GLU  17   2.593  17.889   1.947
  117    HA   GLU  17           HA       GLU  17   4.748  17.563  -0.107
  118   1HB   GLU  17          1HB       GLU  17   4.684  18.776   2.674
  119   2HB   GLU  17          2HB       GLU  17   6.231  18.357   1.966
  120   1HG   GLU  17          1HG       GLU  17   5.923  19.925   0.105
  121   2HG   GLU  17          2HG       GLU  17   4.220  20.145   0.471
  122    H    MET  18           H        MET  18   3.697  15.989   2.863
  123    HA   MET  18           HA       MET  18   6.019  14.230   3.290
  124   1HB   MET  18          1HB       MET  18   3.250  14.435   4.442
  125   2HB   MET  18          2HB       MET  18   4.810  14.344   5.239
  126   1HG   MET  18          1HG       MET  18   3.152  12.005   4.135
  127   2HG   MET  18          2HG       MET  18   4.864  11.812   4.541
  128   1HE   MET  18          1HE       MET  18   4.458  10.105   7.217
  129   2HE   MET  18          2HE       MET  18   5.667  11.088   6.340
  130   3HE   MET  18          3HE       MET  18   5.266  11.477   8.038
  131    H    ILE  19           H        ILE  19   3.045  14.009   1.418
  132    HA   ILE  19           HA       ILE  19   3.166  11.205   0.556
  133    HB   ILE  19           HB       ILE  19   1.907  13.653  -0.763
  134   1HG1  ILE  19          1HG1      ILE  19   0.638  11.197   0.627
  135   2HG1  ILE  19          2HG1      ILE  19   0.770  12.798   1.322
  136   1HG2  ILE  19          1HG2      ILE  19   0.817  12.139  -2.435
  137   2HG2  ILE  19          2HG2      ILE  19   2.570  12.078  -2.608
  138   3HG2  ILE  19          3HG2      ILE  19   1.721  10.744  -1.795
  139   1HD1  ILE  19          1HD1      ILE  19  -0.963  12.118  -1.125
  140   2HD1  ILE  19          2HD1      ILE  19  -1.507  12.512   0.519
  141   3HD1  ILE  19          3HD1      ILE  19  -0.721  13.762  -0.474
  142    H    ALA  20           H        ALA  20   4.550  14.228  -0.718
  143    HA   ALA  20           HA       ALA  20   5.674  13.481  -3.190
  144   1HB   ALA  20          1HB       ALA  20   6.975  15.403  -3.073
  145   2HB   ALA  20          2HB       ALA  20   5.801  15.756  -1.790
  146   3HB   ALA  20          3HB       ALA  20   7.432  15.174  -1.369
  147    H    GLU  21           H        GLU  21   7.313  13.182  -0.016
  148    HA   GLU  21           HA       GLU  21   9.698  11.779  -1.121
  149   1HB   GLU  21          1HB       GLU  21  10.062  11.385   1.516
  150   2HB   GLU  21          2HB       GLU  21  10.472  12.873   0.687
  151   1HG   GLU  21          1HG       GLU  21   7.777  12.478   2.136
  152   2HG   GLU  21          2HG       GLU  21   8.413  13.985   1.497
  153    H    PHE  22           H        PHE  22   6.678  10.895   0.447
  154    HA   PHE  22           HA       PHE  22   7.023   8.197   1.243
  155   1HB   PHE  22          1HB       PHE  22   4.857   9.742   1.212
  156   2HB   PHE  22          2HB       PHE  22   4.510   8.982  -0.319
  157    HD1  PHE  22           HD1      PHE  22   4.945   6.169  -0.131
  158    HD2  PHE  22           HD2      PHE  22   3.770   8.785   3.079
  159    HE1  PHE  22           HE1      PHE  22   3.819   4.296   0.996
  160    HE2  PHE  22           HE2      PHE  22   2.687   6.887   4.213
  161    HZ   PHE  22           HZ       PHE  22   2.733   4.638   3.191
  162    H    LYS  23           H        LYS  23   5.633   9.059  -1.933
  163    HA   LYS  23           HA       LYS  23   5.714   6.546  -3.237
  164   1HB   LYS  23          1HB       LYS  23   6.352   8.294  -5.356
  165   2HB   LYS  23          2HB       LYS  23   4.754   7.796  -4.844
  166   1HG   LYS  23          1HG       LYS  23   4.608   9.819  -3.338
  167   2HG   LYS  23          2HG       LYS  23   6.223  10.303  -3.817
  168   1HD   LYS  23          1HD       LYS  23   4.090   9.933  -5.990
  169   2HD   LYS  23          2HD       LYS  23   4.029  11.346  -4.950
  170   1HE   LYS  23          1HE       LYS  23   6.037  12.280  -5.775
  171   2HE   LYS  23          2HE       LYS  23   6.698  10.731  -6.301
  172   1HZ   LYS  23          1HZ       LYS  23   5.434  10.782  -8.228
  173   2HZ   LYS  23          2HZ       LYS  23   4.256  11.761  -7.610
  174   3HZ   LYS  23          3HZ       LYS  23   5.724  12.395  -8.023
  175    H    ALA  24           H        ALA  24   8.338   8.845  -2.740
  176    HA   ALA  24           HA       ALA  24  10.413   8.009  -4.477
  177   1HB   ALA  24          1HB       ALA  24  12.045   8.755  -2.757
  178   2HB   ALA  24          2HB       ALA  24  10.690   9.891  -2.892
  179   3HB   ALA  24          3HB       ALA  24  10.774   8.768  -1.511
  180    H    ALA  25           H        ALA  25   9.902   6.713  -1.175
  181    HA   ALA  25           HA       ALA  25  11.860   4.543  -1.369
  182   1HB   ALA  25          1HB       ALA  25  10.898   3.741   0.781
  183   2HB   ALA  25          2HB       ALA  25  11.168   5.494   0.812
  184   3HB   ALA  25          3HB       ALA  25   9.517   4.852   0.615
  185    H    PHE  26           H        PHE  26   8.415   4.780  -2.043
  186    HA   PHE  26           HA       PHE  26   7.652   1.994  -2.189
  187   1HB   PHE  26          1HB       PHE  26   6.528   4.315  -3.869
  188   2HB   PHE  26          2HB       PHE  26   6.053   3.952  -2.231
  189    HD1  PHE  26           HD1      PHE  26   6.577   1.732  -5.297
  190    HD2  PHE  26           HD2      PHE  26   3.872   3.028  -2.213
  191    HE1  PHE  26           HE1      PHE  26   4.798   0.318  -6.247
  192    HE2  PHE  26           HE2      PHE  26   2.086   1.663  -3.218
  193    HZ   PHE  26           HZ       PHE  26   2.561   0.262  -5.197
  194    H    ASP  27           H        ASP  27   9.280   4.119  -4.478
  195    HA   ASP  27           HA       ASP  27   9.090   2.320  -6.832
  196   1HB   ASP  27          1HB       ASP  27  10.786   4.842  -6.395
  197   2HB   ASP  27          2HB       ASP  27   9.222   4.748  -7.172
  198    H    MET  28           H        MET  28  11.314   2.744  -4.180
  199    HA   MET  28           HA       MET  28  13.833   1.845  -5.103
  200   1HB   MET  28          1HB       MET  28  12.469   1.344  -2.419
  201   2HB   MET  28          2HB       MET  28  14.016   0.594  -2.765
  202   1HG   MET  28          1HG       MET  28  14.781   3.103  -3.406
  203   2HG   MET  28          2HG       MET  28  13.384   3.556  -2.416
  204   1HE   MET  28          1HE       MET  28  14.966   4.870  -1.033
  205   2HE   MET  28          2HE       MET  28  15.904   4.203   0.336
  206   3HE   MET  28          3HE       MET  28  16.639   4.281  -1.292
  207    H    PHE  29           H        PHE  29  10.925  -0.053  -4.521
  208    HA   PHE  29           HA       PHE  29  12.270  -2.695  -5.181
  209   1HB   PHE  29          1HB       PHE  29   9.972  -3.702  -4.792
  210   2HB   PHE  29          2HB       PHE  29   9.326  -2.111  -4.496
  211    HD1  PHE  29           HD1      PHE  29   9.464  -4.625  -2.583
  212    HD2  PHE  29           HD2      PHE  29  11.808  -1.025  -2.852
  213    HE1  PHE  29           HE1      PHE  29  10.029  -4.800  -0.194
  214    HE2  PHE  29           HE2      PHE  29  12.348  -1.211  -0.459
  215    HZ   PHE  29           HZ       PHE  29  11.463  -3.093   0.872
  216    H    ASP  30           H        ASP  30   9.606  -0.639  -6.387
  217    HA   ASP  30           HA       ASP  30   9.602  -2.098  -9.052
  218   1HB   ASP  30          1HB       ASP  30   7.451  -1.320  -7.584
  219   2HB   ASP  30          2HB       ASP  30   7.650   0.150  -8.510
  220    H    ALA  31           H        ALA  31  11.744  -1.238  -9.491
  221    HA   ALA  31           HA       ALA  31  12.525   1.538  -9.820
  222   1HB   ALA  31          1HB       ALA  31  14.267   0.675 -11.388
  223   2HB   ALA  31          2HB       ALA  31  14.157  -0.316  -9.920
  224   3HB   ALA  31          3HB       ALA  31  13.466  -0.913 -11.451
  225    H    ASP  32           H        ASP  32  11.321  -0.745 -12.297
  226    HA   ASP  32           HA       ASP  32  10.417   1.590 -14.047
  227   1HB   ASP  32          1HB       ASP  32  10.350  -0.218 -15.915
  228   2HB   ASP  32          2HB       ASP  32  11.895   0.417 -15.396
  229    H    GLY  33           H        GLY  33   8.386   2.050 -13.607
  230   1HA   GLY  33          1HA       GLY  33   5.981   0.788 -14.242
  231   2HA   GLY  33          2HA       GLY  33   6.395  -0.070 -12.754
  232    H    GLY  34           H        GLY  34   7.057   1.414 -10.886
  233   1HA   GLY  34          1HA       GLY  34   6.301   2.994  -9.210
  234   2HA   GLY  34          2HA       GLY  34   6.206   4.150 -10.543
  235    H    GLY  35           H        GLY  35   4.406   1.136  -9.913
  236   1HA   GLY  35          1HA       GLY  35   1.901   1.350 -10.930
  237   2HA   GLY  35          2HA       GLY  35   1.777   2.693  -9.789
  238    H    ASP  36           H        ASP  36   3.082  -0.628  -9.658
  239    HA   ASP  36           HA       ASP  36   1.805  -1.114  -6.941
  240   1HB   ASP  36          1HB       ASP  36   0.845  -3.348  -7.807
  241   2HB   ASP  36          2HB       ASP  36  -0.033  -1.877  -8.160
  242    H    ILE  37           H        ILE  37   2.508  -3.199  -6.042
  243    HA   ILE  37           HA       ILE  37   5.143  -4.323  -7.111
  244    HB   ILE  37           HB       ILE  37   5.949  -4.320  -4.616
  245   1HG1  ILE  37          1HG1      ILE  37   4.580  -1.610  -4.370
  246   2HG1  ILE  37          2HG1      ILE  37   3.614  -3.020  -3.993
  247   1HG2  ILE  37          1HG2      ILE  37   7.277  -2.251  -5.053
  248   2HG2  ILE  37          2HG2      ILE  37   7.122  -3.200  -6.538
  249   3HG2  ILE  37          3HG2      ILE  37   6.131  -1.738  -6.315
  250   1HD1  ILE  37          1HD1      ILE  37   6.233  -2.290  -2.561
  251   2HD1  ILE  37          2HD1      ILE  37   4.578  -2.192  -1.921
  252   3HD1  ILE  37          3HD1      ILE  37   5.296  -3.781  -2.271
  253    H    SER  38           H        SER  38   5.659  -6.114  -5.171
  254    HA   SER  38           HA       SER  38   3.388  -8.087  -5.295
  255   1HB   SER  38          1HB       SER  38   6.024  -8.507  -5.511
  256   2HB   SER  38          2HB       SER  38   5.939  -8.656  -3.754
  257    HG   SER  38           HG       SER  38   4.523 -10.299  -3.941
  258    H    THR  39           H        THR  39   2.596  -9.149  -3.397
  259    HA   THR  39           HA       THR  39   1.880  -7.271  -1.179
  260    HB   THR  39           HB       THR  39   0.543  -9.273  -0.286
  261    HG1  THR  39           HG1      THR  39   1.875 -10.705  -1.686
  262   1HG2  THR  39          1HG2      THR  39  -1.304  -9.025  -1.885
  263   2HG2  THR  39          2HG2      THR  39  -0.548  -7.433  -1.639
  264   3HG2  THR  39          3HG2      THR  39  -0.221  -8.358  -3.128
  265    H    LYS  40           H        LYS  40   3.987 -10.034  -1.711
  266    HA   LYS  40           HA       LYS  40   4.548 -10.689   1.115
  267   1HB   LYS  40          1HB       LYS  40   5.680 -11.523  -1.561
  268   2HB   LYS  40          2HB       LYS  40   6.753 -11.709  -0.190
  269   1HG   LYS  40          1HG       LYS  40   4.708 -12.984   0.941
  270   2HG   LYS  40          2HG       LYS  40   4.046 -13.055  -0.680
  271   1HD   LYS  40          1HD       LYS  40   5.327 -15.147   0.004
  272   2HD   LYS  40          2HD       LYS  40   5.857 -14.419  -1.503
  273   1HE   LYS  40          1HE       LYS  40   7.643 -15.216   0.346
  274   2HE   LYS  40          2HE       LYS  40   7.353 -13.619   1.039
  275   1HZ   LYS  40          1HZ       LYS  40   7.786 -13.568  -1.825
  276   2HZ   LYS  40          2HZ       LYS  40   8.484 -12.655  -0.638
  277   3HZ   LYS  40          3HZ       LYS  40   9.075 -14.160  -0.978
  278    H    GLU  41           H        GLU  41   5.960  -8.563  -1.312
  279    HA   GLU  41           HA       GLU  41   8.387  -7.884   0.331
  280   1HB   GLU  41          1HB       GLU  41   7.445  -7.059  -2.448
  281   2HB   GLU  41          2HB       GLU  41   8.744  -6.190  -1.655
  282   1HG   GLU  41          1HG       GLU  41   9.959  -8.498  -1.394
  283   2HG   GLU  41          2HG       GLU  41   8.724  -9.165  -2.449
  284    H    LEU  42           H        LEU  42   5.382  -6.340  -0.763
  285    HA   LEU  42           HA       LEU  42   5.591  -3.655  -0.144
  286   1HB   LEU  42          1HB       LEU  42   3.354  -5.582  -0.192
  287   2HB   LEU  42          2HB       LEU  42   3.463  -3.964  -0.852
  288    HG   LEU  42           HG       LEU  42   3.126  -3.195   1.709
  289   1HD1  LEU  42          1HD1      LEU  42   0.647  -3.108   1.316
  290   2HD1  LEU  42          2HD1      LEU  42   1.545  -2.629  -0.132
  291   3HD1  LEU  42          3HD1      LEU  42   0.808  -4.248  -0.044
  292   1HD2  LEU  42          1HD2      LEU  42   1.819  -5.999   1.746
  293   2HD2  LEU  42          2HD2      LEU  42   3.219  -5.485   2.719
  294   3HD2  LEU  42          3HD2      LEU  42   1.633  -4.740   2.994
  295    H    GLY  43           H        GLY  43   4.645  -6.137   2.261
  296   1HA   GLY  43          1HA       GLY  43   4.566  -4.676   4.730
  297   2HA   GLY  43          2HA       GLY  43   5.161  -6.337   4.614
  298    H    THR  44           H        THR  44   7.427  -6.438   3.494
  299    HA   THR  44           HA       THR  44   9.443  -5.646   5.215
  300    HB   THR  44           HB       THR  44   9.718  -6.033   2.200
  301    HG1  THR  44           HG1      THR  44   9.896  -7.622   4.502
  302   1HG2  THR  44          1HG2      THR  44  12.146  -6.492   2.581
  303   2HG2  THR  44          2HG2      THR  44  11.752  -4.794   2.924
  304   3HG2  THR  44          3HG2      THR  44  12.000  -5.939   4.268
  305    H    VAL  45           H        VAL  45   8.122  -3.711   2.570
  306    HA   VAL  45           HA       VAL  45  10.126  -1.580   2.519
  307    HB   VAL  45           HB       VAL  45   8.873  -0.468   0.962
  308   1HG1  VAL  45          1HG1      VAL  45   7.708  -2.084  -0.539
  309   2HG1  VAL  45          2HG1      VAL  45   9.187  -2.805   0.109
  310   3HG1  VAL  45          3HG1      VAL  45   7.611  -3.282   0.779
  311   1HG2  VAL  45          1HG2      VAL  45   6.202  -1.482   2.143
  312   2HG2  VAL  45          2HG2      VAL  45   6.868   0.157   2.332
  313   3HG2  VAL  45          3HG2      VAL  45   6.385  -0.412   0.728
  314    H    MET  46           H        MET  46   6.929  -1.834   4.101
  315    HA   MET  46           HA       MET  46   6.916   0.803   5.367
  316   1HB   MET  46          1HB       MET  46   5.267  -1.710   5.675
  317   2HB   MET  46          2HB       MET  46   5.239  -0.590   7.024
  318   1HG   MET  46          1HG       MET  46   4.391   0.017   4.126
  319   2HG   MET  46          2HG       MET  46   4.581   1.282   5.351
  320   1HE   MET  46          1HE       MET  46   3.486  -2.415   5.351
  321   2HE   MET  46          2HE       MET  46   3.243  -2.180   7.107
  322   3HE   MET  46          3HE       MET  46   1.830  -2.415   6.037
  323    NH1  ARG  47           NH1      ARG  47  13.848  -6.359   9.567
  324    NH2  ARG  47           NH2      ARG  47  12.854  -7.966  10.828
  325    H    ARG  47           H        ARG  47   8.262  -2.303   6.319
  326    HA   ARG  47           HA       ARG  47   8.585  -1.743   9.216
  327   1HB   ARG  47          1HB       ARG  47   8.471  -4.062   8.626
  328   2HB   ARG  47          2HB       ARG  47   9.640  -3.895   7.324
  329   1HG   ARG  47          1HG       ARG  47  11.342  -3.239   9.322
  330   2HG   ARG  47          2HG       ARG  47  10.173  -4.113  10.312
  331   1HD   ARG  47          1HD       ARG  47  10.444  -5.920   8.220
  332   2HD   ARG  47          2HD       ARG  47  12.044  -5.180   8.184
  333    HE   ARG  47           HE       ARG  47  10.967  -6.272  10.827
  334   1HH1  ARG  47          1HH1      ARG  47  13.774  -8.421  10.829
  335   2HH1  ARG  47          2HH1      ARG  47  12.011  -8.282  11.319
  336   1HH2  ARG  47          1HH2      ARG  47  13.736  -5.532   8.969
  337   2HH2  ARG  47          2HH2      ARG  47  14.726  -6.845   9.785
  338    H    MET  48           H        MET  48  10.912  -1.917   6.498
  339    HA   MET  48           HA       MET  48  13.200  -0.903   8.136
  340   1HB   MET  48          1HB       MET  48  14.245  -2.099   6.505
  341   2HB   MET  48          2HB       MET  48  12.868  -2.031   5.421
  342   1HG   MET  48          1HG       MET  48  13.627   0.385   4.778
  343   2HG   MET  48          2HG       MET  48  15.116   0.050   5.676
  344   1HE   MET  48          1HE       MET  48  15.176  -3.389   4.976
  345   2HE   MET  48          2HE       MET  48  16.502  -3.188   3.792
  346   3HE   MET  48          3HE       MET  48  16.520  -2.255   5.317
  347    H    LEU  49           H        LEU  49  10.511   0.570   6.806
  348    HA   LEU  49           HA       LEU  49  11.688   3.236   6.116
  349   1HB   LEU  49          1HB       LEU  49   9.123   3.911   6.509
  350   2HB   LEU  49          2HB       LEU  49   8.850   2.181   6.482
  351    HG   LEU  49           HG       LEU  49  10.129   2.188   4.171
  352   1HD1  LEU  49          1HD1      LEU  49   9.365   5.176   4.254
  353   2HD1  LEU  49          2HD1      LEU  49  11.022   4.566   4.415
  354   3HD1  LEU  49          3HD1      LEU  49  10.125   4.303   2.899
  355   1HD2  LEU  49          1HD2      LEU  49   8.043   2.596   2.934
  356   2HD2  LEU  49          2HD2      LEU  49   7.597   1.851   4.489
  357   3HD2  LEU  49          3HD2      LEU  49   7.382   3.592   4.255
  358    H    GLY  50           H        GLY  50  10.305   1.590   8.927
  359   1HA   GLY  50          1HA       GLY  50  10.110   3.863  10.747
  360   2HA   GLY  50          2HA       GLY  50  11.768   3.305  10.885
  361    H    GLN  51           H        GLN  51   9.062   1.116  10.290
  362    HA   GLN  51           HA       GLN  51   8.562   0.527  13.209
  363   1HB   GLN  51          1HB       GLN  51   7.195  -0.218  10.599
  364   2HB   GLN  51          2HB       GLN  51   6.963  -1.275  11.979
  365   1HG   GLN  51          1HG       GLN  51   6.393   1.043  13.262
  366   2HG   GLN  51          2HG       GLN  51   6.071   1.618  11.639
  367   1HE2  GLN  51          1HE2      GLN  51   2.780   0.346  12.729
  368   2HE2  GLN  51          2HE2      GLN  51   3.866   1.825  12.673
  369    H    ASN  52           H        ASN  52   8.011  -2.057  13.351
  370    HA   ASN  52           HA       ASN  52  10.142  -3.805  12.176
  371   1HB   ASN  52          1HB       ASN  52  10.501  -2.576  14.798
  372   2HB   ASN  52          2HB       ASN  52  10.434  -4.312  15.007
  373   1HD2  ASN  52          1HD2      ASN  52  13.982  -3.995  14.295
  374   2HD2  ASN  52          2HD2      ASN  52  12.664  -4.411  15.502
  375    HA   PRO  53           HA       PRO  53   5.981  -5.769  13.656
  376   1HB   PRO  53          1HB       PRO  53   4.675  -6.297  11.299
  377   2HB   PRO  53          2HB       PRO  53   4.739  -4.689  12.040
  378   1HG   PRO  53          1HG       PRO  53   6.450  -5.752   9.741
  379   2HG   PRO  53          2HG       PRO  53   5.614  -4.186   9.850
  380   1HD   PRO  53          1HD       PRO  53   8.330  -4.550  10.453
  381   2HD   PRO  53          2HD       PRO  53   7.345  -3.252  11.193
  382    H    THR  54           H        THR  54   4.926  -7.934  12.262
  383    HA   THR  54           HA       THR  54   7.163 -10.005  12.539
  384    HB   THR  54           HB       THR  54   4.415  -9.916  13.668
  385    HG1  THR  54           HG1      THR  54   6.208  -9.910  14.931
  386   1HG2  THR  54          1HG2      THR  54   4.073 -12.365  13.727
  387   2HG2  THR  54          2HG2      THR  54   4.044 -11.796  12.042
  388   3HG2  THR  54          3HG2      THR  54   5.485 -12.632  12.676
  389    H    LYS  55           H        LYS  55   6.841 -11.983  11.285
  390    HA   LYS  55           HA       LYS  55   6.236 -11.320   8.414
  391   1HB   LYS  55          1HB       LYS  55   7.610 -13.670   9.805
  392   2HB   LYS  55          2HB       LYS  55   8.309 -12.488   8.719
  393   1HG   LYS  55          1HG       LYS  55   6.555 -13.614   6.960
  394   2HG   LYS  55          2HG       LYS  55   6.658 -14.959   8.078
  395   1HD   LYS  55          1HD       LYS  55   8.935 -15.416   7.566
  396   2HD   LYS  55          2HD       LYS  55   8.255 -14.924   6.024
  397   1HE   LYS  55          1HE       LYS  55   9.113 -12.483   6.645
  398   2HE   LYS  55          2HE       LYS  55  10.142 -13.306   7.818
  399   1HZ   LYS  55          1HZ       LYS  55  11.267 -14.429   6.106
  400   2HZ   LYS  55          2HZ       LYS  55  10.088 -14.170   4.978
  401   3HZ   LYS  55          3HZ       LYS  55  11.045 -12.918   5.475
  402    H    GLU  56           H        GLU  56   5.024 -13.362  11.021
  403    HA   GLU  56           HA       GLU  56   3.072 -14.964   9.476
  404   1HB   GLU  56          1HB       GLU  56   4.053 -15.348  11.908
  405   2HB   GLU  56          2HB       GLU  56   2.485 -15.965  11.429
  406   1HG   GLU  56          1HG       GLU  56   1.294 -14.461  12.814
  407   2HG   GLU  56          2HG       GLU  56   2.531 -13.217  12.739
  408    H    GLU  57           H        GLU  57   3.086 -11.825  11.064
  409    HA   GLU  57           HA       GLU  57   0.171 -11.315  11.068
  410   1HB   GLU  57          1HB       GLU  57   2.494  -9.322  11.237
  411   2HB   GLU  57          2HB       GLU  57   0.808  -8.890  11.432
  412   1HG   GLU  57          1HG       GLU  57   2.445 -10.751  13.269
  413   2HG   GLU  57          2HG       GLU  57   0.708 -10.554  13.426
  414    H    LEU  58           H        LEU  58   2.826 -10.761   8.811
  415    HA   LEU  58           HA       LEU  58   1.569  -9.029   6.842
  416   1HB   LEU  58          1HB       LEU  58   3.933 -10.831   6.915
  417   2HB   LEU  58          2HB       LEU  58   3.181 -10.807   5.335
  418    HG   LEU  58           HG       LEU  58   3.277  -8.098   5.753
  419   1HD1  LEU  58          1HD1      LEU  58   5.451  -7.486   6.861
  420   2HD1  LEU  58          2HD1      LEU  58   4.325  -8.222   8.010
  421   3HD1  LEU  58          3HD1      LEU  58   5.681  -9.179   7.367
  422   1HD2  LEU  58          1HD2      LEU  58   5.667  -9.780   4.739
  423   2HD2  LEU  58          2HD2      LEU  58   4.257  -9.285   3.771
  424   3HD2  LEU  58          3HD2      LEU  58   5.376  -8.057   4.393
  425    H    ASP  59           H        ASP  59   1.370 -12.488   7.461
  426    HA   ASP  59           HA       ASP  59  -0.006 -13.341   5.030
  427   1HB   ASP  59          1HB       ASP  59  -0.449 -14.794   7.675
  428   2HB   ASP  59          2HB       ASP  59  -0.413 -15.442   6.051
  429    H    ALA  60           H        ALA  60  -1.208 -12.332   8.234
  430    HA   ALA  60           HA       ALA  60  -4.053 -12.875   7.811
  431   1HB   ALA  60          1HB       ALA  60  -4.432 -11.440   9.811
  432   2HB   ALA  60          2HB       ALA  60  -3.097 -12.579  10.076
  433   3HB   ALA  60          3HB       ALA  60  -2.750 -10.861   9.754
  434    H    ILE  61           H        ILE  61  -2.082  -9.927   7.419
  435    HA   ILE  61           HA       ILE  61  -3.994  -7.961   6.768
  436    HB   ILE  61           HB       ILE  61  -1.139  -8.298   5.795
  437   1HG1  ILE  61          1HG1      ILE  61  -1.909  -7.412   8.210
  438   2HG1  ILE  61          2HG1      ILE  61  -2.267  -5.919   7.369
  439   1HG2  ILE  61          1HG2      ILE  61  -1.228  -6.065   4.655
  440   2HG2  ILE  61          2HG2      ILE  61  -2.315  -7.208   3.870
  441   3HG2  ILE  61          3HG2      ILE  61  -2.981  -5.963   4.952
  442   1HD1  ILE  61          1HD1      ILE  61   0.083  -5.627   6.635
  443   2HD1  ILE  61          2HD1      ILE  61  -0.003  -5.859   8.394
  444   3HD1  ILE  61          3HD1      ILE  61   0.526  -7.200   7.352
  445    H    ILE  62           H        ILE  62  -2.730 -10.629   4.853
  446    HA   ILE  62           HA       ILE  62  -3.806  -9.798   2.217
  447    HB   ILE  62           HB       ILE  62  -2.996 -12.639   3.010
  448   1HG1  ILE  62          1HG1      ILE  62  -1.221 -10.538   3.287
  449   2HG1  ILE  62          2HG1      ILE  62  -0.753 -12.177   2.886
  450   1HG2  ILE  62          1HG2      ILE  62  -2.532 -12.935   0.563
  451   2HG2  ILE  62          2HG2      ILE  62  -4.216 -12.480   0.818
  452   3HG2  ILE  62          3HG2      ILE  62  -3.054 -11.263   0.241
  453   1HD1  ILE  62          1HD1      ILE  62  -1.109  -9.931   0.816
  454   2HD1  ILE  62          2HD1      ILE  62   0.406 -10.671   1.371
  455   3HD1  ILE  62          3HD1      ILE  62  -0.749 -11.634   0.420
  456    H    GLU  63           H        GLU  63  -4.860 -12.036   4.781
  457    HA   GLU  63           HA       GLU  63  -7.311 -13.052   3.652
  458   1HB   GLU  63          1HB       GLU  63  -6.731 -14.094   5.641
  459   2HB   GLU  63          2HB       GLU  63  -6.374 -12.602   6.488
  460   1HG   GLU  63          1HG       GLU  63  -8.351 -13.358   7.549
  461   2HG   GLU  63          2HG       GLU  63  -8.956 -12.128   6.452
  462    H    GLU  64           H        GLU  64  -6.509  -9.886   4.906
  463    HA   GLU  64           HA       GLU  64  -9.307  -8.917   5.234
  464   1HB   GLU  64          1HB       GLU  64  -6.570  -7.785   5.692
  465   2HB   GLU  64          2HB       GLU  64  -7.801  -6.607   5.281
  466   1HG   GLU  64          1HG       GLU  64  -7.870  -6.647   7.649
  467   2HG   GLU  64          2HG       GLU  64  -7.584  -8.376   7.751
  468    H    VAL  65           H        VAL  65  -6.653  -7.624   3.211
  469    HA   VAL  65           HA       VAL  65  -8.513  -6.149   1.426
  470    HB   VAL  65           HB       VAL  65  -6.426  -5.582   0.089
  471   1HG1  VAL  65          1HG1      VAL  65  -5.570  -3.952   1.784
  472   2HG1  VAL  65          2HG1      VAL  65  -7.341  -4.036   1.827
  473   3HG1  VAL  65          3HG1      VAL  65  -6.386  -4.842   3.094
  474   1HG2  VAL  65          1HG2      VAL  65  -4.900  -7.002   2.381
  475   2HG2  VAL  65          2HG2      VAL  65  -4.911  -7.484   0.667
  476   3HG2  VAL  65          3HG2      VAL  65  -4.174  -5.947   1.143
  477    H    ASP  66           H        ASP  66  -6.272  -8.917   1.004
  478    HA   ASP  66           HA       ASP  66  -7.449  -9.546  -1.712
  479   1HB   ASP  66          1HB       ASP  66  -5.249 -11.282  -0.579
  480   2HB   ASP  66          2HB       ASP  66  -4.845  -9.611  -0.894
  481    H    GLU  67           H        GLU  67  -9.243  -9.859   0.318
  482    HA   GLU  67           HA       GLU  67  -9.566 -12.719   1.125
  483   1HB   GLU  67          1HB       GLU  67 -10.564 -10.584   2.286
  484   2HB   GLU  67          2HB       GLU  67 -11.836 -10.684   1.084
  485   1HG   GLU  67          1HG       GLU  67 -12.451 -12.992   1.882
  486   2HG   GLU  67          2HG       GLU  67 -11.121 -12.973   3.029
  487    H    ASP  68           H        ASP  68 -11.040 -10.531  -1.278
  488    HA   ASP  68           HA       ASP  68 -11.103 -12.661  -3.367
  489   1HB   ASP  68          1HB       ASP  68 -13.108 -13.452  -2.314
  490   2HB   ASP  68          2HB       ASP  68 -13.743 -11.841  -2.071
  491    H    GLY  69           H        GLY  69  -9.678 -10.810  -3.947
  492   1HA   GLY  69          1HA       GLY  69 -10.105  -8.089  -4.372
  493   2HA   GLY  69          2HA       GLY  69 -11.142  -8.758  -5.636
  494    H    SER  70           H        SER  70  -8.709  -7.156  -5.831
  495    HA   SER  70           HA       SER  70  -7.479  -8.479  -8.161
  496   1HB   SER  70          1HB       SER  70  -7.602  -6.157  -8.389
  497   2HB   SER  70          2HB       SER  70  -7.053  -5.827  -6.744
  498    HG   SER  70           HG       SER  70  -5.557  -5.527  -8.579
  499    H    GLY  71           H        GLY  71  -5.356  -9.183  -8.430
  500   1HA   GLY  71          1HA       GLY  71  -4.055 -10.409  -5.957
  501   2HA   GLY  71          2HA       GLY  71  -3.755 -10.906  -7.625
  502    H    THR  72           H        THR  72  -3.764  -7.619  -6.291
  503    HA   THR  72           HA       THR  72  -0.773  -7.347  -6.495
  504    HB   THR  72           HB       THR  72  -0.972  -5.243  -7.939
  505    HG1  THR  72           HG1      THR  72  -2.733  -4.858  -8.935
  506   1HG2  THR  72          1HG2      THR  72  -0.195  -7.664  -8.802
  507   2HG2  THR  72          2HG2      THR  72  -1.722  -7.606  -9.709
  508   3HG2  THR  72          3HG2      THR  72  -0.485  -6.345  -9.958
  509    H    ILE  73           H        ILE  73  -0.199  -4.971  -5.923
  510    HA   ILE  73           HA       ILE  73  -2.159  -3.762  -3.958
  511    HB   ILE  73           HB       ILE  73   0.547  -4.860  -3.255
  512   1HG1  ILE  73          1HG1      ILE  73  -0.535  -5.945  -1.525
  513   2HG1  ILE  73          2HG1      ILE  73  -1.840  -5.829  -2.692
  514   1HG2  ILE  73          1HG2      ILE  73   0.895  -3.419  -1.283
  515   2HG2  ILE  73          2HG2      ILE  73   0.861  -2.405  -2.732
  516   3HG2  ILE  73          3HG2      ILE  73  -0.556  -2.460  -1.655
  517   1HD1  ILE  73          1HD1      ILE  73  -1.557  -4.300  -0.071
  518   2HD1  ILE  73          2HD1      ILE  73  -2.487  -3.574  -1.399
  519   3HD1  ILE  73          3HD1      ILE  73  -2.966  -5.160  -0.749
  520    H    ASP  74           H        ASP  74  -2.360  -1.670  -4.209
  521    HA   ASP  74           HA       ASP  74  -0.441  -0.193  -6.074
  522   1HB   ASP  74          1HB       ASP  74  -2.832   1.313  -5.815
  523   2HB   ASP  74          2HB       ASP  74  -3.277  -0.393  -6.119
  524    H    PHE  75           H        PHE  75  -0.597   2.285  -5.633
  525    HA   PHE  75           HA       PHE  75   0.684   2.755  -3.000
  526   1HB   PHE  75          1HB       PHE  75   1.392   3.896  -5.138
  527   2HB   PHE  75          2HB       PHE  75  -0.104   4.792  -5.171
  528    HD1  PHE  75           HD1      PHE  75   0.790   7.040  -4.938
  529    HD2  PHE  75           HD2      PHE  75   1.896   4.050  -2.046
  530    HE1  PHE  75           HE1      PHE  75   1.934   8.751  -3.590
  531    HE2  PHE  75           HE2      PHE  75   3.030   5.780  -0.710
  532    HZ   PHE  75           HZ       PHE  75   3.022   8.133  -1.458
  533    H    GLU  76           H        GLU  76  -2.469   3.322  -4.462
  534    HA   GLU  76           HA       GLU  76  -3.683   5.074  -2.481
  535   1HB   GLU  76          1HB       GLU  76  -4.833   4.863  -4.538
  536   2HB   GLU  76          2HB       GLU  76  -5.894   4.217  -3.302
  537   1HG   GLU  76          1HG       GLU  76  -4.202   2.127  -4.665
  538   2HG   GLU  76          2HG       GLU  76  -5.289   2.989  -5.742
  539    H    GLU  77           H        GLU  77  -4.077   1.540  -2.863
  540    HA   GLU  77           HA       GLU  77  -5.409   0.961  -0.340
  541   1HB   GLU  77          1HB       GLU  77  -3.536  -0.991  -1.767
  542   2HB   GLU  77          2HB       GLU  77  -5.139  -0.608  -2.363
  543   1HG   GLU  77          1HG       GLU  77  -4.976  -2.758  -0.990
  544   2HG   GLU  77          2HG       GLU  77  -4.581  -1.803   0.429
  545    H    PHE  78           H        PHE  78  -2.033   1.430  -1.199
  546    HA   PHE  78           HA       PHE  78  -0.718   0.334   1.144
  547   1HB   PHE  78          1HB       PHE  78   0.427   1.001  -1.018
  548   2HB   PHE  78          2HB       PHE  78   0.262   2.683  -0.590
  549    HD1  PHE  78           HD1      PHE  78   0.805   1.613   2.585
  550    HD2  PHE  78           HD2      PHE  78   2.928   1.524  -1.156
  551    HE1  PHE  78           HE1      PHE  78   2.951   1.655   3.790
  552    HE2  PHE  78           HE2      PHE  78   5.064   1.592   0.065
  553    HZ   PHE  78           HZ       PHE  78   5.081   1.589   2.536
  554    H    LEU  79           H        LEU  79  -1.913   3.613   0.424
  555    HA   LEU  79           HA       LEU  79  -1.121   4.894   2.977
  556   1HB   LEU  79          1HB       LEU  79  -2.857   6.665   2.295
  557   2HB   LEU  79          2HB       LEU  79  -3.222   5.697   0.883
  558    HG   LEU  79           HG       LEU  79  -0.790   5.931   0.127
  559   1HD1  LEU  79          1HD1      LEU  79  -1.034   8.284  -0.679
  560   2HD1  LEU  79          2HD1      LEU  79  -2.575   7.417  -0.811
  561   3HD1  LEU  79          3HD1      LEU  79  -2.327   8.586   0.510
  562   1HD2  LEU  79          1HD2      LEU  79  -0.584   7.951   2.460
  563   2HD2  LEU  79          2HD2      LEU  79   0.319   6.423   2.310
  564   3HD2  LEU  79          3HD2      LEU  79   0.620   7.738   1.164
  565    H    VAL  80           H        VAL  80  -3.903   3.093   1.792
  566    HA   VAL  80           HA       VAL  80  -5.842   3.775   3.868
  567    HB   VAL  80           HB       VAL  80  -5.703   1.396   1.965
  568   1HG1  VAL  80          1HG1      VAL  80  -8.025   0.764   2.656
  569   2HG1  VAL  80          2HG1      VAL  80  -6.894   0.562   4.000
  570   3HG1  VAL  80          3HG1      VAL  80  -7.982   1.968   3.970
  571   1HG2  VAL  80          1HG2      VAL  80  -7.671   3.776   2.063
  572   2HG2  VAL  80          2HG2      VAL  80  -6.327   3.603   0.910
  573   3HG2  VAL  80          3HG2      VAL  80  -7.672   2.453   0.871
  574    H    MET  81           H        MET  81  -3.310   1.331   3.595
  575    HA   MET  81           HA       MET  81  -4.102  -0.189   6.063
  576   1HB   MET  81          1HB       MET  81  -3.127  -1.431   4.170
  577   2HB   MET  81          2HB       MET  81  -2.175  -1.626   5.630
  578   1HG   MET  81          1HG       MET  81  -1.438  -0.110   3.082
  579   2HG   MET  81          2HG       MET  81  -0.667   0.349   4.610
  580   1HE   MET  81          1HE       MET  81  -0.695  -4.171   3.414
  581   2HE   MET  81          2HE       MET  81  -1.777  -3.458   4.647
  582   3HE   MET  81          3HE       MET  81  -1.961  -2.998   2.929
  583    H    MET  82           H        MET  82  -1.807   2.295   5.094
  584    HA   MET  82           HA       MET  82   0.044   2.184   7.353
  585   1HB   MET  82          1HB       MET  82  -0.510   4.154   5.150
  586   2HB   MET  82          2HB       MET  82   0.192   4.842   6.603
  587   1HG   MET  82          1HG       MET  82   1.919   4.165   4.883
  588   2HG   MET  82          2HG       MET  82   1.424   2.474   5.057
  589   1HE   MET  82          1HE       MET  82   2.904   4.908   8.771
  590   2HE   MET  82          2HE       MET  82   2.098   5.609   7.337
  591   3HE   MET  82          3HE       MET  82   1.165   4.595   8.476
  592    H    VAL  83           H        VAL  83  -2.897   4.093   6.744
  593    HA   VAL  83           HA       VAL  83  -2.893   5.761   9.149
  594    HB   VAL  83           HB       VAL  83  -4.921   5.065   7.071
  595   1HG1  VAL  83          1HG1      VAL  83  -6.863   6.002   8.338
  596   2HG1  VAL  83          2HG1      VAL  83  -6.289   4.509   9.093
  597   3HG1  VAL  83          3HG1      VAL  83  -5.884   6.079   9.825
  598   1HG2  VAL  83          1HG2      VAL  83  -4.262   7.727   8.499
  599   2HG2  VAL  83          2HG2      VAL  83  -3.624   7.209   6.921
  600   3HG2  VAL  83          3HG2      VAL  83  -5.354   7.530   7.104
  601    NH1  ARG  84           NH1      ARG  84  -5.249  -3.166   7.784
  602    NH2  ARG  84           NH2      ARG  84  -6.029  -3.131   5.651
  603    H    ARG  84           H        ARG  84  -4.096   2.504   8.427
  604    HA   ARG  84           HA       ARG  84  -5.509   1.934  10.968
  605   1HB   ARG  84          1HB       ARG  84  -5.136  -0.524  10.281
  606   2HB   ARG  84          2HB       ARG  84  -4.271   0.071   8.871
  607   1HG   ARG  84          1HG       ARG  84  -7.119   1.053   9.416
  608   2HG   ARG  84          2HG       ARG  84  -6.219   1.093   7.897
  609   1HD   ARG  84          1HD       ARG  84  -6.773  -1.633   9.172
  610   2HD   ARG  84          2HD       ARG  84  -8.101  -0.803   8.365
  611    HE   ARG  84           HE       ARG  84  -6.505  -0.715   6.263
  612   1HH1  ARG  84          1HH1      ARG  84  -5.625  -4.071   5.571
  613   2HH1  ARG  84          2HH1      ARG  84  -6.496  -2.597   4.909
  614   1HH2  ARG  84          1HH2      ARG  84  -5.278  -2.752   8.722
  615   2HH2  ARG  84          2HH2      ARG  84  -4.736  -4.008   7.498
  616    H    GLN  85           H        GLN  85  -2.171   1.643   9.828
  617    HA   GLN  85           HA       GLN  85  -1.094  -0.101  11.931
  618   1HB   GLN  85          1HB       GLN  85   0.923   1.795  10.924
  619   2HB   GLN  85          2HB       GLN  85  -0.071   1.207   9.603
  620   1HG   GLN  85          1HG       GLN  85   1.918  -0.213   9.864
  621   2HG   GLN  85          2HG       GLN  85   1.568  -0.519  11.552
  622   1HE2  GLN  85          1HE2      GLN  85   0.140  -3.584  10.275
  623   2HE2  GLN  85          2HE2      GLN  85   1.669  -2.802  10.922
  624    H    MET  86           H        MET  86  -1.142   3.442  11.519
  625    HA   MET  86           HA       MET  86   0.397   4.254  13.829
  626   1HB   MET  86          1HB       MET  86  -1.067   5.612  11.807
  627   2HB   MET  86          2HB       MET  86  -1.833   6.120  13.301
  628   1HG   MET  86          1HG       MET  86   0.765   6.944  12.192
  629   2HG   MET  86          2HG       MET  86   0.989   6.308  13.830
  630   1HE   MET  86          1HE       MET  86   0.568   9.105  15.870
  631   2HE   MET  86          2HE       MET  86   1.660   7.980  15.010
  632   3HE   MET  86          3HE       MET  86   1.453   9.651  14.411
  633    H    LYS  87           H        LYS  87  -3.145   3.929  13.467
  634    HA   LYS  87           HA       LYS  87  -4.040   4.451  16.137
  635   1HB   LYS  87          1HB       LYS  87  -5.334   3.630  13.857
  636   2HB   LYS  87          2HB       LYS  87  -5.387   2.123  14.746
  637   1HG   LYS  87          1HG       LYS  87  -7.261   4.131  14.919
  638   2HG   LYS  87          2HG       LYS  87  -6.244   4.598  16.267
  639   1HD   LYS  87          1HD       LYS  87  -7.464   1.773  15.967
  640   2HD   LYS  87          2HD       LYS  87  -6.547   2.377  17.338
  641   1HE   LYS  87          1HE       LYS  87  -9.300   3.432  16.448
  642   2HE   LYS  87          2HE       LYS  87  -8.985   2.416  17.856
  643   1HZ   LYS  87          1HZ       LYS  87  -8.876   4.405  18.887
  644   2HZ   LYS  87          2HZ       LYS  87  -7.332   4.504  18.307
  645   3HZ   LYS  87          3HZ       LYS  87  -8.563   5.265  17.511
  646    H    GLU  88           H        GLU  88  -2.769   1.442  14.724
  647    HA   GLU  88           HA       GLU  88  -1.771  -0.512  15.701
  648   1HB   GLU  88          1HB       GLU  88  -0.710   1.589  17.121
  649   2HB   GLU  88          2HB       GLU  88  -1.479   0.710  18.427
  650   1HG   GLU  88          1HG       GLU  88  -0.201  -1.420  17.514
  651   2HG   GLU  88          2HG       GLU  88   0.733  -0.294  16.543
  652    H    ASP  89           H        ASP  89  -2.029  -1.456  18.345
  653    HA   ASP  89           HA       ASP  89  -5.040  -1.984  18.566
  654   1HB   ASP  89          1HB       ASP  89  -2.695  -3.892  18.718
  655   2HB   ASP  89          2HB       ASP  89  -4.038  -4.193  19.796
  656    H    ALA  90           H        ALA  90  -5.915  -2.176  20.620
  657    HA   ALA  90           HA       ALA  90  -4.360  -0.756  22.854
  658   1HB   ALA  90          1HB       ALA  90  -7.226  -0.522  21.884
  659   2HB   ALA  90          2HB       ALA  90  -6.975  -0.428  23.639
  660   3HB   ALA  90          3HB       ALA  90  -6.154   0.730  22.563
   
  Start of MODEL           8
 Raw file had  660 H/Q atoms
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1 -23.131   7.619   6.717
    2   2H    ALA   1          2H        ALA   1 -23.093   6.008   7.197
    3   3H    ALA   1          3H        ALA   1 -22.547   7.210   8.240
    4    HA   ALA   1           HA       ALA   1 -21.327   6.872   5.595
    5   1HB   ALA   1          1HB       ALA   1 -20.936   8.884   7.256
    6   2HB   ALA   1          2HB       ALA   1 -19.952   7.748   8.198
    7   3HB   ALA   1          3HB       ALA   1 -19.502   8.133   6.517
    8    H    SER   2           H        SER   2 -19.690   5.370   5.322
    9    HA   SER   2           HA       SER   2 -18.868   3.419   7.442
   10   1HB   SER   2          1HB       SER   2 -19.768   1.490   5.702
   11   2HB   SER   2          2HB       SER   2 -20.615   2.008   7.161
   12    HG   SER   2           HG       SER   2 -22.119   2.447   5.811
   13    H    MET   3           H        MET   3 -17.028   4.745   6.530
   14    HA   MET   3           HA       MET   3 -15.207   5.225   5.010
   15   1HB   MET   3          1HB       MET   3 -13.831   3.197   4.482
   16   2HB   MET   3          2HB       MET   3 -14.240   3.386   6.176
   17   1HG   MET   3          1HG       MET   3 -15.946   1.515   4.439
   18   2HG   MET   3          2HG       MET   3 -14.362   0.992   5.033
   19   1HE   MET   3          1HE       MET   3 -17.310  -0.591   7.385
   20   2HE   MET   3          2HE       MET   3 -17.787   0.174   5.840
   21   3HE   MET   3          3HE       MET   3 -16.342  -0.877   5.905
   22    H    THR   4           H        THR   4 -17.659   5.447   3.774
   23    HA   THR   4           HA       THR   4 -18.132   4.114   1.264
   24    HB   THR   4           HB       THR   4 -18.447   7.124   1.398
   25    HG1  THR   4           HG1      THR   4 -20.123   5.244   2.681
   26   1HG2  THR   4          1HG2      THR   4 -20.604   6.717   0.275
   27   2HG2  THR   4          2HG2      THR   4 -19.304   5.967  -0.678
   28   3HG2  THR   4          3HG2      THR   4 -20.373   4.956   0.328
   29    H    ASP   5           H        ASP   5 -15.566   6.256   2.264
   30    HA   ASP   5           HA       ASP   5 -14.024   5.760  -0.254
   31   1HB   ASP   5          1HB       ASP   5 -13.567   8.193  -0.755
   32   2HB   ASP   5          2HB       ASP   5 -15.173   7.633  -1.162
   33    H    GLN   6           H        GLN   6 -13.283   4.701   1.891
   34    HA   GLN   6           HA       GLN   6 -11.707   6.074   3.912
   35   1HB   GLN   6          1HB       GLN   6 -12.294   3.409   3.387
   36   2HB   GLN   6          2HB       GLN   6 -10.600   3.464   2.936
   37   1HG   GLN   6          1HG       GLN   6 -10.023   4.426   5.213
   38   2HG   GLN   6          2HG       GLN   6 -10.657   2.793   5.244
   39   1HE2  GLN   6          1HE2      GLN   6 -12.855   3.970   7.831
   40   2HE2  GLN   6          2HE2      GLN   6 -11.565   2.789   7.275
   41    H    GLN   7           H        GLN   7 -11.033   5.214   0.565
   42    HA   GLN   7           HA       GLN   7  -8.198   5.287   0.341
   43   1HB   GLN   7          1HB       GLN   7 -10.424   6.018  -1.574
   44   2HB   GLN   7          2HB       GLN   7  -8.815   6.590  -1.979
   45   1HG   GLN   7          1HG       GLN   7  -8.799   4.558  -3.092
   46   2HG   GLN   7          2HG       GLN   7  -8.041   4.075  -1.589
   47   1HE2  GLN   7          1HE2      GLN   7 -10.981   1.755  -2.612
   48   2HE2  GLN   7          2HE2      GLN   7  -9.594   2.498  -3.557
   49    H    ALA   8           H        ALA   8 -10.268   8.134  -0.357
   50    HA   ALA   8           HA       ALA   8  -8.105  10.091  -0.431
   51   1HB   ALA   8          1HB       ALA   8  -9.744  11.681  -0.863
   52   2HB   ALA   8          2HB       ALA   8 -10.622  10.206  -1.310
   53   3HB   ALA   8          3HB       ALA   8 -10.933  10.985   0.263
   54    H    GLU   9           H        GLU   9 -10.187   8.893   2.151
   55    HA   GLU   9           HA       GLU   9  -9.938  10.919   4.175
   56   1HB   GLU   9          1HB       GLU   9 -11.532   9.158   4.502
   57   2HB   GLU   9          2HB       GLU   9 -10.310   7.902   4.451
   58   1HG   GLU   9          1HG       GLU   9 -10.030   9.966   6.668
   59   2HG   GLU   9          2HG       GLU   9  -9.622   8.258   6.677
   60    H    ALA  10           H        ALA  10  -7.744   8.302   3.256
   61    HA   ALA  10           HA       ALA  10  -5.917   8.267   5.506
   62   1HB   ALA  10          1HB       ALA  10  -4.293   7.185   3.960
   63   2HB   ALA  10          2HB       ALA  10  -5.917   6.497   3.775
   64   3HB   ALA  10          3HB       ALA  10  -5.288   7.630   2.553
   65    NH1  ARG  11           NH1      ARG  11  -4.939  14.013  -1.744
   66    NH2  ARG  11           NH2      ARG  11  -6.587  13.335  -3.154
   67    H    ARG  11           H        ARG  11  -5.784  10.098   2.442
   68    HA   ARG  11           HA       ARG  11  -3.202  11.460   2.897
   69   1HB   ARG  11          1HB       ARG  11  -3.618  12.691   0.912
   70   2HB   ARG  11          2HB       ARG  11  -5.362  12.658   1.124
   71   1HG   ARG  11          1HG       ARG  11  -3.854  10.044   0.610
   72   2HG   ARG  11          2HG       ARG  11  -5.575  10.373   0.397
   73   1HD   ARG  11          1HD       ARG  11  -3.991  10.300  -1.742
   74   2HD   ARG  11          2HD       ARG  11  -3.500  11.923  -1.262
   75    HE   ARG  11           HE       ARG  11  -6.367  11.164  -2.004
   76   1HH1  ARG  11          1HH1      ARG  11  -5.172  14.963  -2.052
   77   2HH1  ARG  11          2HH1      ARG  11  -4.197  13.744  -1.088
   78   1HH2  ARG  11          1HH2      ARG  11  -7.081  12.551  -3.592
   79   2HH2  ARG  11          2HH2      ARG  11  -6.723  14.334  -3.348
   80    H    ALA  12           H        ALA  12  -6.586  12.217   3.568
   81    HA   ALA  12           HA       ALA  12  -6.584  14.990   4.190
   82   1HB   ALA  12          1HB       ALA  12  -8.486  14.564   5.734
   83   2HB   ALA  12          2HB       ALA  12  -8.650  13.624   4.237
   84   3HB   ALA  12          3HB       ALA  12  -8.132  12.819   5.739
   85    H    PHE  13           H        PHE  13  -5.305  12.303   6.078
   86    HA   PHE  13           HA       PHE  13  -4.802  13.915   8.554
   87   1HB   PHE  13          1HB       PHE  13  -3.848  11.058   7.934
   88   2HB   PHE  13          2HB       PHE  13  -5.448  11.424   8.524
   89    HD1  PHE  13           HD1      PHE  13  -3.161  13.796   9.984
   90    HD2  PHE  13           HD2      PHE  13  -4.393   9.684  10.312
   91    HE1  PHE  13           HE1      PHE  13  -2.374  13.734  12.315
   92    HE2  PHE  13           HE2      PHE  13  -3.598   9.642  12.639
   93    HZ   PHE  13           HZ       PHE  13  -2.581  11.658  13.642
   94    H    LEU  14           H        LEU  14  -2.902  12.361   5.975
   95    HA   LEU  14           HA       LEU  14  -0.248  13.341   6.904
   96   1HB   LEU  14          1HB       LEU  14   0.698  12.258   5.018
   97   2HB   LEU  14          2HB       LEU  14  -0.745  12.431   4.041
   98    HG   LEU  14           HG       LEU  14  -1.883  10.607   5.154
   99   1HD1  LEU  14          1HD1      LEU  14  -0.328   8.681   4.810
  100   2HD1  LEU  14          2HD1      LEU  14  -0.147   9.871   3.508
  101   3HD1  LEU  14          3HD1      LEU  14   1.075   9.780   4.801
  102   1HD2  LEU  14          1HD2      LEU  14   0.367  10.573   7.276
  103   2HD2  LEU  14          2HD2      LEU  14  -1.316  11.093   7.538
  104   3HD2  LEU  14          3HD2      LEU  14  -0.969   9.400   7.160
  105    H    SER  15           H        SER  15   1.114  14.661   5.389
  106    HA   SER  15           HA       SER  15  -0.376  17.193   4.579
  107   1HB   SER  15          1HB       SER  15   2.431  16.616   5.540
  108   2HB   SER  15          2HB       SER  15   2.209  17.985   4.448
  109    HG   SER  15           HG       SER  15   0.386  17.662   6.545
  110    H    GLU  16           H        GLU  16   0.664  18.353   2.680
  111    HA   GLU  16           HA       GLU  16   0.285  16.819   0.222
  112   1HB   GLU  16          1HB       GLU  16   0.015  19.378   0.610
  113   2HB   GLU  16          2HB       GLU  16   1.742  19.502   0.341
  114   1HG   GLU  16          1HG       GLU  16  -0.417  18.635  -1.664
  115   2HG   GLU  16          2HG       GLU  16   0.667  20.013  -1.762
  116    H    GLU  17           H        GLU  17   3.152  17.946   1.963
  117    HA   GLU  17           HA       GLU  17   5.115  16.913  -0.064
  118   1HB   GLU  17          1HB       GLU  17   6.810  17.957   1.097
  119   2HB   GLU  17          2HB       GLU  17   5.443  19.000   1.437
  120   1HG   GLU  17          1HG       GLU  17   6.959  17.149   3.322
  121   2HG   GLU  17          2HG       GLU  17   5.260  17.425   3.666
  122    H    MET  18           H        MET  18   3.744  15.952   3.035
  123    HA   MET  18           HA       MET  18   5.468  13.789   3.841
  124   1HB   MET  18          1HB       MET  18   2.416  13.839   4.210
  125   2HB   MET  18          2HB       MET  18   3.546  14.742   5.202
  126   1HG   MET  18          1HG       MET  18   4.054  11.752   4.990
  127   2HG   MET  18          2HG       MET  18   2.625  12.275   5.897
  128   1HE   MET  18          1HE       MET  18   6.786  13.321   5.812
  129   2HE   MET  18          2HE       MET  18   6.915  12.223   7.218
  130   3HE   MET  18          3HE       MET  18   6.190  11.636   5.693
  131    H    ILE  19           H        ILE  19   2.739  13.849   1.571
  132    HA   ILE  19           HA       ILE  19   2.532  10.970   1.031
  133    HB   ILE  19           HB       ILE  19   1.708  13.312  -0.761
  134   1HG1  ILE  19          1HG1      ILE  19   0.243  13.554   1.069
  135   2HG1  ILE  19          2HG1      ILE  19  -0.679  12.487   0.031
  136   1HG2  ILE  19          1HG2      ILE  19   0.298  11.672  -2.025
  137   2HG2  ILE  19          2HG2      ILE  19   1.999  11.222  -2.128
  138   3HG2  ILE  19          3HG2      ILE  19   0.920  10.334  -1.028
  139   1HD1  ILE  19          1HD1      ILE  19   0.886  11.556   2.509
  140   2HD1  ILE  19          2HD1      ILE  19  -0.875  11.673   2.314
  141   3HD1  ILE  19          3HD1      ILE  19   0.040  10.471   1.373
  142    H    ALA  20           H        ALA  20   4.371  13.630  -0.450
  143    HA   ALA  20           HA       ALA  20   5.500  12.284  -2.737
  144   1HB   ALA  20          1HB       ALA  20   5.589  14.831  -1.919
  145   2HB   ALA  20          2HB       ALA  20   7.177  14.360  -1.283
  146   3HB   ALA  20          3HB       ALA  20   6.829  14.191  -3.023
  147    H    GLU  21           H        GLU  21   6.501  12.352   0.652
  148    HA   GLU  21           HA       GLU  21   9.187  11.200   0.341
  149   1HB   GLU  21          1HB       GLU  21   7.355  11.579   2.740
  150   2HB   GLU  21          2HB       GLU  21   8.817  12.448   2.319
  151   1HG   GLU  21          1HG       GLU  21   8.864   9.468   3.109
  152   2HG   GLU  21          2HG       GLU  21   8.930  10.757   4.299
  153    H    PHE  22           H        PHE  22   5.972   9.857   0.949
  154    HA   PHE  22           HA       PHE  22   6.760   7.072   1.523
  155   1HB   PHE  22          1HB       PHE  22   4.089   8.252   0.567
  156   2HB   PHE  22          2HB       PHE  22   4.300   6.553   0.899
  157    HD1  PHE  22           HD1      PHE  22   6.361   7.267   3.358
  158    HD2  PHE  22           HD2      PHE  22   2.340   8.413   2.336
  159    HE1  PHE  22           HE1      PHE  22   5.869   7.693   5.729
  160    HE2  PHE  22           HE2      PHE  22   1.862   8.817   4.715
  161    HZ   PHE  22           HZ       PHE  22   3.638   8.515   6.407
  162    H    LYS  23           H        LYS  23   5.810   8.868  -1.385
  163    HA   LYS  23           HA       LYS  23   5.666   6.810  -3.377
  164   1HB   LYS  23          1HB       LYS  23   5.146   9.276  -3.743
  165   2HB   LYS  23          2HB       LYS  23   6.862   9.614  -3.827
  166   1HG   LYS  23          1HG       LYS  23   5.464   9.320  -6.035
  167   2HG   LYS  23          2HG       LYS  23   7.098   8.691  -5.960
  168   1HD   LYS  23          1HD       LYS  23   6.194   6.360  -5.526
  169   2HD   LYS  23          2HD       LYS  23   4.562   7.006  -5.523
  170   1HE   LYS  23          1HE       LYS  23   6.304   7.419  -8.003
  171   2HE   LYS  23          2HE       LYS  23   5.504   5.868  -7.745
  172   1HZ   LYS  23          1HZ       LYS  23   4.303   7.742  -9.042
  173   2HZ   LYS  23          2HZ       LYS  23   3.421   6.845  -7.971
  174   3HZ   LYS  23          3HZ       LYS  23   3.924   8.363  -7.559
  175    H    ALA  24           H        ALA  24   8.460   8.375  -1.892
  176    HA   ALA  24           HA       ALA  24  10.590   7.592  -3.682
  177   1HB   ALA  24          1HB       ALA  24  12.131   7.987  -1.770
  178   2HB   ALA  24          2HB       ALA  24  10.913   9.271  -1.889
  179   3HB   ALA  24          3HB       ALA  24  10.763   8.017  -0.632
  180    H    ALA  25           H        ALA  25   9.548   6.019  -0.637
  181    HA   ALA  25           HA       ALA  25  11.296   3.689  -0.777
  182   1HB   ALA  25          1HB       ALA  25   9.856   2.726   1.009
  183   2HB   ALA  25          2HB       ALA  25  10.248   4.423   1.344
  184   3HB   ALA  25          3HB       ALA  25   8.628   3.987   0.743
  185    H    PHE  26           H        PHE  26   8.091   4.365  -2.060
  186    HA   PHE  26           HA       PHE  26   7.225   1.662  -2.761
  187   1HB   PHE  26          1HB       PHE  26   6.385   4.099  -4.400
  188   2HB   PHE  26          2HB       PHE  26   5.902   3.986  -2.728
  189    HD1  PHE  26           HD1      PHE  26   6.239   0.755  -4.498
  190    HD2  PHE  26           HD2      PHE  26   3.514   3.974  -3.651
  191    HE1  PHE  26           HE1      PHE  26   4.345  -0.646  -5.212
  192    HE2  PHE  26           HE2      PHE  26   1.631   2.554  -4.357
  193    HZ   PHE  26           HZ       PHE  26   2.040   0.243  -5.128
  194    H    ASP  27           H        ASP  27   9.154   4.120  -4.416
  195    HA   ASP  27           HA       ASP  27   9.355   2.788  -7.045
  196   1HB   ASP  27          1HB       ASP  27   9.710   5.209  -6.895
  197   2HB   ASP  27          2HB       ASP  27  11.066   5.011  -5.809
  198    H    MET  28           H        MET  28  11.043   2.509  -4.005
  199    HA   MET  28           HA       MET  28  13.543   1.277  -4.757
  200   1HB   MET  28          1HB       MET  28  12.516   1.867  -2.328
  201   2HB   MET  28          2HB       MET  28  12.114   0.159  -2.327
  202   1HG   MET  28          1HG       MET  28  14.273   0.416  -1.219
  203   2HG   MET  28          2HG       MET  28  14.568  -0.401  -2.763
  204   1HE   MET  28          1HE       MET  28  16.240   2.223  -0.556
  205   2HE   MET  28          2HE       MET  28  16.007   3.763  -1.434
  206   3HE   MET  28          3HE       MET  28  14.595   2.905  -0.753
  207    H    PHE  29           H        PHE  29  10.386  -0.266  -4.088
  208    HA   PHE  29           HA       PHE  29  11.366  -2.881  -5.375
  209   1HB   PHE  29          1HB       PHE  29   8.840  -2.652  -3.641
  210   2HB   PHE  29          2HB       PHE  29   9.664  -4.094  -4.164
  211    HD1  PHE  29           HD1      PHE  29   8.920  -3.448  -1.276
  212    HD2  PHE  29           HD2      PHE  29  12.581  -2.796  -3.444
  213    HE1  PHE  29           HE1      PHE  29  10.202  -3.594   0.820
  214    HE2  PHE  29           HE2      PHE  29  13.840  -2.926  -1.334
  215    HZ   PHE  29           HZ       PHE  29  12.658  -3.330   0.796
  216    H    ASP  30           H        ASP  30  10.559  -0.484  -6.782
  217    HA   ASP  30           HA       ASP  30   8.689  -1.742  -8.745
  218   1HB   ASP  30          1HB       ASP  30   7.645   0.910  -7.660
  219   2HB   ASP  30          2HB       ASP  30   7.233  -0.581  -6.844
  220    H    ALA  31           H        ALA  31  10.936  -1.414  -9.587
  221    HA   ALA  31           HA       ALA  31  11.758   1.372 -10.405
  222   1HB   ALA  31          1HB       ALA  31  13.812   0.251 -11.283
  223   2HB   ALA  31          2HB       ALA  31  13.484  -0.210  -9.601
  224   3HB   ALA  31          3HB       ALA  31  13.130  -1.353 -10.922
  225    H    ASP  32           H        ASP  32   9.264   0.112 -11.479
  226    HA   ASP  32           HA       ASP  32   9.881   0.019 -14.467
  227   1HB   ASP  32          1HB       ASP  32   7.219  -0.671 -14.361
  228   2HB   ASP  32          2HB       ASP  32   7.726  -1.246 -12.789
  229    H    GLY  33           H        GLY  33   6.875   0.951 -12.829
  230   1HA   GLY  33          1HA       GLY  33   7.105   3.808 -13.956
  231   2HA   GLY  33          2HA       GLY  33   5.582   2.912 -13.966
  232    H    GLY  34           H        GLY  34   4.799   2.125 -11.812
  233   1HA   GLY  34          1HA       GLY  34   5.194   2.672  -9.183
  234   2HA   GLY  34          2HA       GLY  34   5.100   4.347  -9.735
  235    H    GLY  35           H        GLY  35   3.305   1.278  -9.811
  236   1HA   GLY  35          1HA       GLY  35   0.794   1.483 -10.744
  237   2HA   GLY  35          2HA       GLY  35   0.664   2.813  -9.590
  238    H    ASP  36           H        ASP  36   2.072  -0.463  -9.438
  239    HA   ASP  36           HA       ASP  36   0.926  -1.009  -6.706
  240   1HB   ASP  36          1HB       ASP  36  -0.496  -1.924  -9.145
  241   2HB   ASP  36          2HB       ASP  36  -1.060  -1.747  -7.500
  242    H    ILE  37           H        ILE  37   1.676  -3.005  -5.843
  243    HA   ILE  37           HA       ILE  37   3.958  -4.440  -7.286
  244    HB   ILE  37           HB       ILE  37   5.225  -4.389  -5.003
  245   1HG1  ILE  37          1HG1      ILE  37   3.310  -2.034  -4.615
  246   2HG1  ILE  37          2HG1      ILE  37   4.967  -1.852  -4.079
  247   1HG2  ILE  37          1HG2      ILE  37   6.595  -2.456  -5.794
  248   2HG2  ILE  37          2HG2      ILE  37   6.083  -3.444  -7.170
  249   3HG2  ILE  37          3HG2      ILE  37   5.268  -1.896  -6.840
  250   1HD1  ILE  37          1HD1      ILE  37   4.802  -3.765  -2.516
  251   2HD1  ILE  37          2HD1      ILE  37   3.491  -2.602  -2.224
  252   3HD1  ILE  37          3HD1      ILE  37   3.149  -4.120  -3.085
  253    H    SER  38           H        SER  38   4.665  -6.170  -5.351
  254    HA   SER  38           HA       SER  38   2.247  -7.913  -4.933
  255   1HB   SER  38          1HB       SER  38   4.706  -8.918  -3.667
  256   2HB   SER  38          2HB       SER  38   5.014  -8.404  -5.328
  257    HG   SER  38           HG       SER  38   4.276 -10.387  -5.541
  258    H    THR  39           H        THR  39   1.671  -8.755  -2.879
  259    HA   THR  39           HA       THR  39   1.623  -6.720  -0.676
  260    HB   THR  39           HB       THR  39  -0.442  -7.927  -1.253
  261    HG1  THR  39           HG1      THR  39  -0.092  -8.897   1.252
  262   1HG2  THR  39          1HG2      THR  39  -0.883 -10.251  -0.594
  263   2HG2  THR  39          2HG2      THR  39   0.463 -10.236  -1.757
  264   3HG2  THR  39          3HG2      THR  39   0.786 -10.470  -0.019
  265    H    LYS  40           H        LYS  40   3.180  -9.780  -1.419
  266    HA   LYS  40           HA       LYS  40   4.031 -10.622   1.232
  267   1HB   LYS  40          1HB       LYS  40   4.182 -11.814  -1.190
  268   2HB   LYS  40          2HB       LYS  40   5.814 -11.181  -1.176
  269   1HG   LYS  40          1HG       LYS  40   6.062 -12.359   1.166
  270   2HG   LYS  40          2HG       LYS  40   4.557 -13.174   0.791
  271   1HD   LYS  40          1HD       LYS  40   7.065 -14.167   0.159
  272   2HD   LYS  40          2HD       LYS  40   5.561 -14.663  -0.600
  273   1HE   LYS  40          1HE       LYS  40   7.471 -12.521  -1.718
  274   2HE   LYS  40          2HE       LYS  40   5.919 -12.935  -2.450
  275   1HZ   LYS  40          1HZ       LYS  40   7.788 -15.145  -1.943
  276   2HZ   LYS  40          2HZ       LYS  40   6.738 -14.923  -3.200
  277   3HZ   LYS  40          3HZ       LYS  40   8.168 -14.096  -3.162
  278    H    GLU  41           H        GLU  41   5.374  -8.359  -1.109
  279    HA   GLU  41           HA       GLU  41   7.929  -7.937   0.443
  280   1HB   GLU  41          1HB       GLU  41   7.360  -7.870  -2.272
  281   2HB   GLU  41          2HB       GLU  41   7.396  -6.159  -1.898
  282   1HG   GLU  41          1HG       GLU  41   9.724  -6.353  -0.997
  283   2HG   GLU  41          2HG       GLU  41   9.620  -6.914  -2.657
  284    H    LEU  42           H        LEU  42   4.978  -6.180  -0.450
  285    HA   LEU  42           HA       LEU  42   5.385  -3.532   0.227
  286   1HB   LEU  42          1HB       LEU  42   3.004  -5.342   0.423
  287   2HB   LEU  42          2HB       LEU  42   3.215  -3.847  -0.463
  288    HG   LEU  42           HG       LEU  42   3.043  -2.634   1.878
  289   1HD1  LEU  42          1HD1      LEU  42   0.536  -2.599   1.736
  290   2HD1  LEU  42          2HD1      LEU  42   1.272  -2.455   0.133
  291   3HD1  LEU  42          3HD1      LEU  42   0.564  -4.007   0.644
  292   1HD2  LEU  42          1HD2      LEU  42   1.773  -5.347   2.653
  293   2HD2  LEU  42          2HD2      LEU  42   3.262  -4.655   3.341
  294   3HD2  LEU  42          3HD2      LEU  42   1.708  -3.847   3.614
  295    H    GLY  43           H        GLY  43   4.486  -6.049   2.617
  296   1HA   GLY  43          1HA       GLY  43   4.634  -4.632   5.117
  297   2HA   GLY  43          2HA       GLY  43   5.124  -6.321   4.935
  298    H    THR  44           H        THR  44   7.306  -6.625   3.829
  299    HA   THR  44           HA       THR  44   9.447  -5.843   5.398
  300    HB   THR  44           HB       THR  44   9.481  -6.580   2.447
  301    HG1  THR  44           HG1      THR  44   8.982  -7.992   4.328
  302   1HG2  THR  44          1HG2      THR  44  11.940  -6.990   2.616
  303   2HG2  THR  44          2HG2      THR  44  11.568  -5.258   2.753
  304   3HG2  THR  44          3HG2      THR  44  11.977  -6.197   4.211
  305    H    VAL  45           H        VAL  45   7.946  -3.927   2.893
  306    HA   VAL  45           HA       VAL  45  10.110  -1.991   2.419
  307    HB   VAL  45           HB       VAL  45   7.786  -2.533   1.089
  308   1HG1  VAL  45          1HG1      VAL  45   6.309  -0.521   1.087
  309   2HG1  VAL  45          2HG1      VAL  45   6.299  -1.289   2.679
  310   3HG1  VAL  45          3HG1      VAL  45   7.240   0.198   2.428
  311   1HG2  VAL  45          1HG2      VAL  45   9.368   0.111   0.831
  312   2HG2  VAL  45          2HG2      VAL  45   9.781  -1.430   0.043
  313   3HG2  VAL  45          3HG2      VAL  45   8.290  -0.589  -0.404
  314    H    MET  46           H        MET  46   7.079  -1.833   4.322
  315    HA   MET  46           HA       MET  46   7.536   0.828   5.470
  316   1HB   MET  46          1HB       MET  46   5.264  -0.111   5.314
  317   2HB   MET  46          2HB       MET  46   5.642   0.384   6.954
  318   1HG   MET  46          1HG       MET  46   6.330  -2.283   7.158
  319   2HG   MET  46          2HG       MET  46   5.108  -2.387   5.880
  320   1HE   MET  46          1HE       MET  46   1.914  -2.402   7.491
  321   2HE   MET  46          2HE       MET  46   2.253  -0.885   6.607
  322   3HE   MET  46          3HE       MET  46   2.934  -2.429   6.018
  323    NH1  ARG  47           NH1      ARG  47  13.143  -5.276  12.174
  324    NH2  ARG  47           NH2      ARG  47  11.640  -6.147  13.637
  325    H    ARG  47           H        ARG  47   8.472  -2.420   6.432
  326    HA   ARG  47           HA       ARG  47   9.144  -1.772   9.285
  327   1HB   ARG  47          1HB       ARG  47   8.461  -4.120   8.130
  328   2HB   ARG  47          2HB       ARG  47  10.197  -4.253   7.890
  329   1HG   ARG  47          1HG       ARG  47   9.506  -3.419  10.674
  330   2HG   ARG  47          2HG       ARG  47   8.812  -4.979  10.231
  331   1HD   ARG  47          1HD       ARG  47  11.781  -4.173  10.270
  332   2HD   ARG  47          2HD       ARG  47  11.259  -5.554   9.309
  333    HE   ARG  47           HE       ARG  47  10.310  -6.541  11.543
  334   1HH1  ARG  47          1HH1      ARG  47  12.369  -6.008  14.346
  335   2HH1  ARG  47          2HH1      ARG  47  10.719  -6.574  13.781
  336   1HH2  ARG  47          1HH2      ARG  47  13.309  -4.861  11.251
  337   2HH2  ARG  47          2HH2      ARG  47  13.824  -5.383  12.935
  338    H    MET  48           H        MET  48  10.824  -2.075   6.196
  339    HA   MET  48           HA       MET  48  13.577  -1.920   7.397
  340   1HB   MET  48          1HB       MET  48  13.052  -3.348   5.365
  341   2HB   MET  48          2HB       MET  48  12.779  -1.887   4.430
  342   1HG   MET  48          1HG       MET  48  15.471  -2.327   5.849
  343   2HG   MET  48          2HG       MET  48  15.105  -1.240   4.499
  344   1HE   MET  48          1HE       MET  48  13.964  -5.404   4.569
  345   2HE   MET  48          2HE       MET  48  15.706  -5.797   4.481
  346   3HE   MET  48          3HE       MET  48  15.087  -4.793   5.824
  347    H    LEU  49           H        LEU  49  11.242   0.368   6.942
  348    HA   LEU  49           HA       LEU  49  13.253   2.619   6.387
  349   1HB   LEU  49          1HB       LEU  49  11.615   3.008   4.795
  350   2HB   LEU  49          2HB       LEU  49  11.083   4.027   6.114
  351    HG   LEU  49           HG       LEU  49   9.845   1.258   6.012
  352   1HD1  LEU  49          1HD1      LEU  49   8.988   3.453   4.019
  353   2HD1  LEU  49          2HD1      LEU  49   9.902   2.000   3.572
  354   3HD1  LEU  49          3HD1      LEU  49   8.251   1.843   4.221
  355   1HD2  LEU  49          1HD2      LEU  49   7.841   2.441   6.814
  356   2HD2  LEU  49          2HD2      LEU  49   9.224   3.042   7.762
  357   3HD2  LEU  49          3HD2      LEU  49   8.561   4.031   6.453
  358    H    GLY  50           H        GLY  50  10.669   1.395   8.482
  359   1HA   GLY  50          1HA       GLY  50  11.871   2.034  11.006
  360   2HA   GLY  50          2HA       GLY  50  10.946   3.483  10.603
  361    H    GLN  51           H        GLN  51  10.640  -0.039  10.916
  362    HA   GLN  51           HA       GLN  51   8.150   0.229  12.591
  363   1HB   GLN  51          1HB       GLN  51   7.731  -0.121   9.821
  364   2HB   GLN  51          2HB       GLN  51   7.645  -1.759  10.445
  365   1HG   GLN  51          1HG       GLN  51   5.422  -1.176  10.659
  366   2HG   GLN  51          2HG       GLN  51   5.975  -0.740  12.263
  367   1HE2  GLN  51          1HE2      GLN  51   4.135   2.294  11.402
  368   2HE2  GLN  51          2HE2      GLN  51   4.122   0.708  12.325
  369    H    ASN  52           H        ASN  52   7.513  -1.945  13.400
  370    HA   ASN  52           HA       ASN  52   9.929  -3.781  13.689
  371   1HB   ASN  52          1HB       ASN  52   9.723  -3.753  15.937
  372   2HB   ASN  52          2HB       ASN  52   8.817  -2.278  15.678
  373   1HD2  ASN  52          1HD2      ASN  52   5.926  -3.751  17.225
  374   2HD2  ASN  52          2HD2      ASN  52   6.745  -2.269  16.516
  375    HA   PRO  53           HA       PRO  53   6.159  -6.853  13.626
  376   1HB   PRO  53          1HB       PRO  53   3.558  -6.077  13.413
  377   2HB   PRO  53          2HB       PRO  53   4.532  -5.743  14.861
  378   1HG   PRO  53          1HG       PRO  53   3.887  -3.817  12.580
  379   2HG   PRO  53          2HG       PRO  53   3.769  -3.523  14.331
  380   1HD   PRO  53          1HD       PRO  53   5.995  -2.838  12.702
  381   2HD   PRO  53          2HD       PRO  53   6.087  -3.042  14.480
  382    H    THR  54           H        THR  54   3.911  -7.192  11.918
  383    HA   THR  54           HA       THR  54   3.119  -7.394   9.661
  384    HB   THR  54           HB       THR  54   3.507  -5.761   8.183
  385    HG1  THR  54           HG1      THR  54   5.727  -4.970   7.833
  386   1HG2  THR  54          1HG2      THR  54   4.437  -3.638   9.034
  387   2HG2  THR  54          2HG2      THR  54   3.451  -4.413  10.295
  388   3HG2  THR  54          3HG2      THR  54   5.229  -4.478  10.389
  389    H    LYS  55           H        LYS  55   5.621  -8.787  11.029
  390    HA   LYS  55           HA       LYS  55   6.851 -10.189   8.648
  391   1HB   LYS  55          1HB       LYS  55   7.297 -10.351  11.670
  392   2HB   LYS  55          2HB       LYS  55   8.424  -9.845  10.430
  393   1HG   LYS  55          1HG       LYS  55   8.077 -12.455  11.623
  394   2HG   LYS  55          2HG       LYS  55   7.649 -12.634   9.933
  395   1HD   LYS  55          1HD       LYS  55   9.842 -12.445   9.219
  396   2HD   LYS  55          2HD       LYS  55  10.145 -11.064  10.262
  397   1HE   LYS  55          1HE       LYS  55  10.195 -12.859  12.246
  398   2HE   LYS  55          2HE       LYS  55  10.473 -14.029  10.955
  399   1HZ   LYS  55          1HZ       LYS  55  12.245 -11.996  12.000
  400   2HZ   LYS  55          2HZ       LYS  55  12.606 -13.414  11.233
  401   3HZ   LYS  55          3HZ       LYS  55  12.246 -12.065  10.349
  402    H    GLU  56           H        GLU  56   5.663 -11.691  11.637
  403    HA   GLU  56           HA       GLU  56   4.394 -14.008  10.305
  404   1HB   GLU  56          1HB       GLU  56   3.264 -14.288  12.655
  405   2HB   GLU  56          2HB       GLU  56   4.287 -12.962  13.170
  406   1HG   GLU  56          1HG       GLU  56   6.251 -14.243  13.110
  407   2HG   GLU  56          2HG       GLU  56   5.072 -15.479  13.516
  408    H    GLU  57           H        GLU  57   3.374 -10.802  11.288
  409    HA   GLU  57           HA       GLU  57   0.464 -11.142  10.965
  410   1HB   GLU  57          1HB       GLU  57   1.832  -8.452  10.569
  411   2HB   GLU  57          2HB       GLU  57   0.224  -8.795  11.176
  412   1HG   GLU  57          1HG       GLU  57   2.733  -9.654  12.743
  413   2HG   GLU  57          2HG       GLU  57   2.083  -8.028  12.869
  414    H    LEU  58           H        LEU  58   3.133 -10.447   8.773
  415    HA   LEU  58           HA       LEU  58   1.794  -9.466   6.424
  416   1HB   LEU  58          1HB       LEU  58   4.400 -10.430   6.962
  417   2HB   LEU  58          2HB       LEU  58   3.814 -11.538   5.740
  418    HG   LEU  58           HG       LEU  58   3.578  -9.828   4.080
  419   1HD1  LEU  58          1HD1      LEU  58   3.698  -7.359   4.554
  420   2HD1  LEU  58          2HD1      LEU  58   2.334  -8.114   5.392
  421   3HD1  LEU  58          3HD1      LEU  58   3.805  -7.691   6.302
  422   1HD2  LEU  58          1HD2      LEU  58   6.072  -9.032   5.729
  423   2HD2  LEU  58          2HD2      LEU  58   5.989 -10.353   4.537
  424   3HD2  LEU  58          3HD2      LEU  58   5.795  -8.673   4.006
  425    H    ASP  59           H        ASP  59   2.011 -12.724   7.759
  426    HA   ASP  59           HA       ASP  59   0.858 -14.348   5.708
  427   1HB   ASP  59          1HB       ASP  59   0.102 -14.782   8.642
  428   2HB   ASP  59          2HB       ASP  59   0.210 -15.967   7.361
  429    H    ALA  60           H        ALA  60  -0.877 -12.610   8.317
  430    HA   ALA  60           HA       ALA  60  -3.588 -13.314   7.500
  431   1HB   ALA  60          1HB       ALA  60  -4.326 -11.509   9.049
  432   2HB   ALA  60          2HB       ALA  60  -3.062 -12.514   9.785
  433   3HB   ALA  60          3HB       ALA  60  -2.663 -10.889   9.172
  434    H    ILE  61           H        ILE  61  -1.629 -10.387   6.908
  435    HA   ILE  61           HA       ILE  61  -3.424  -8.686   5.568
  436    HB   ILE  61           HB       ILE  61  -0.433  -9.016   5.073
  437   1HG1  ILE  61          1HG1      ILE  61  -1.214  -8.082   7.338
  438   2HG1  ILE  61          2HG1      ILE  61  -1.982  -6.754   6.496
  439   1HG2  ILE  61          1HG2      ILE  61  -0.460  -6.867   3.779
  440   2HG2  ILE  61          2HG2      ILE  61  -1.419  -8.099   2.960
  441   3HG2  ILE  61          3HG2      ILE  61  -2.238  -6.811   3.875
  442   1HD1  ILE  61          1HD1      ILE  61   0.179  -5.879   5.652
  443   2HD1  ILE  61          2HD1      ILE  61   0.228  -6.084   7.416
  444   3HD1  ILE  61          3HD1      ILE  61   1.045  -7.266   6.367
  445    H    ILE  62           H        ILE  62  -1.792 -11.587   4.451
  446    HA   ILE  62           HA       ILE  62  -2.353 -11.275   1.533
  447    HB   ILE  62           HB       ILE  62  -1.173 -13.483   3.237
  448   1HG1  ILE  62          1HG1      ILE  62  -0.140 -12.230   0.608
  449   2HG1  ILE  62          2HG1      ILE  62   0.244 -11.582   2.188
  450   1HG2  ILE  62          1HG2      ILE  62  -1.117 -15.068   1.294
  451   2HG2  ILE  62          2HG2      ILE  62  -2.782 -14.721   1.755
  452   3HG2  ILE  62          3HG2      ILE  62  -2.087 -13.937   0.318
  453   1HD1  ILE  62          1HD1      ILE  62   1.082 -14.379   1.222
  454   2HD1  ILE  62          2HD1      ILE  62   2.114 -12.954   1.463
  455   3HD1  ILE  62          3HD1      ILE  62   1.359 -13.743   2.867
  456    H    GLU  63           H        GLU  63  -3.647 -13.263   4.202
  457    HA   GLU  63           HA       GLU  63  -5.902 -14.541   3.024
  458   1HB   GLU  63          1HB       GLU  63  -6.072 -13.217   5.774
  459   2HB   GLU  63          2HB       GLU  63  -6.979 -14.597   5.189
  460   1HG   GLU  63          1HG       GLU  63  -5.214 -15.332   6.757
  461   2HG   GLU  63          2HG       GLU  63  -3.965 -14.518   5.831
  462    H    GLU  64           H        GLU  64  -5.433 -11.148   3.805
  463    HA   GLU  64           HA       GLU  64  -8.286 -10.323   3.560
  464   1HB   GLU  64          1HB       GLU  64  -6.214  -8.186   3.313
  465   2HB   GLU  64          2HB       GLU  64  -6.054  -9.180   4.747
  466   1HG   GLU  64          1HG       GLU  64  -7.475  -7.021   4.960
  467   2HG   GLU  64          2HG       GLU  64  -8.700  -7.798   3.972
  468    H    VAL  65           H        VAL  65  -5.337  -9.986   1.579
  469    HA   VAL  65           HA       VAL  65  -6.929  -8.829  -0.739
  470    HB   VAL  65           HB       VAL  65  -3.885  -9.055  -0.571
  471   1HG1  VAL  65          1HG1      VAL  65  -3.893  -7.279  -2.335
  472   2HG1  VAL  65          2HG1      VAL  65  -4.758  -8.724  -2.890
  473   3HG1  VAL  65          3HG1      VAL  65  -5.674  -7.288  -2.374
  474   1HG2  VAL  65          1HG2      VAL  65  -5.610  -6.619   0.259
  475   2HG2  VAL  65          2HG2      VAL  65  -4.614  -7.621   1.342
  476   3HG2  VAL  65          3HG2      VAL  65  -3.836  -6.632   0.098
  477    H    ASP  66           H        ASP  66  -6.925 -11.708   0.209
  478    HA   ASP  66           HA       ASP  66  -6.412 -12.957  -2.537
  479   1HB   ASP  66          1HB       ASP  66  -4.716 -13.672  -0.694
  480   2HB   ASP  66          2HB       ASP  66  -6.037 -14.538   0.057
  481    H    GLU  67           H        GLU  67  -8.686 -12.097  -0.267
  482    HA   GLU  67           HA       GLU  67 -10.624 -14.367  -0.710
  483   1HB   GLU  67          1HB       GLU  67 -10.523 -13.227   1.501
  484   2HB   GLU  67          2HB       GLU  67 -11.006 -11.709   0.770
  485   1HG   GLU  67          1HG       GLU  67 -13.258 -12.543   0.274
  486   2HG   GLU  67          2HG       GLU  67 -12.800 -14.206   0.603
  487    H    ASP  68           H        ASP  68 -10.490 -10.851  -1.365
  488    HA   ASP  68           HA       ASP  68 -12.641 -11.098  -3.507
  489   1HB   ASP  68          1HB       ASP  68 -11.485  -8.596  -2.152
  490   2HB   ASP  68          2HB       ASP  68 -13.035  -9.338  -1.832
  491    H    GLY  69           H        GLY  69  -9.329  -9.880  -2.974
  492   1HA   GLY  69          1HA       GLY  69  -7.772  -9.034  -4.762
  493   2HA   GLY  69          2HA       GLY  69  -8.825  -9.768  -5.976
  494    H    SER  70           H        SER  70  -6.107 -10.154  -5.976
  495    HA   SER  70           HA       SER  70  -5.844 -13.159  -5.411
  496   1HB   SER  70          1HB       SER  70  -4.214 -13.047  -7.461
  497   2HB   SER  70          2HB       SER  70  -4.970 -11.491  -7.815
  498    HG   SER  70           HG       SER  70  -7.014 -12.838  -7.420
  499    H    GLY  71           H        GLY  71  -4.200 -10.015  -5.518
  500   1HA   GLY  71          1HA       GLY  71  -2.520 -10.124  -3.249
  501   2HA   GLY  71          2HA       GLY  71  -1.601 -11.077  -4.419
  502    H    THR  72           H        THR  72  -3.649  -8.220  -4.949
  503    HA   THR  72           HA       THR  72  -1.220  -6.673  -5.955
  504    HB   THR  72           HB       THR  72  -2.919  -5.485  -7.550
  505    HG1  THR  72           HG1      THR  72  -4.362  -7.341  -8.250
  506   1HG2  THR  72          1HG2      THR  72  -1.014  -7.347  -8.166
  507   2HG2  THR  72          2HG2      THR  72  -2.458  -8.269  -8.637
  508   3HG2  THR  72          3HG2      THR  72  -2.129  -6.681  -9.380
  509    H    ILE  73           H        ILE  73  -0.874  -4.846  -4.934
  510    HA   ILE  73           HA       ILE  73  -3.175  -3.328  -3.666
  511    HB   ILE  73           HB       ILE  73  -1.658  -4.770  -2.037
  512   1HG1  ILE  73          1HG1      ILE  73  -2.347  -1.983  -1.019
  513   2HG1  ILE  73          2HG1      ILE  73  -3.622  -3.000  -1.665
  514   1HG2  ILE  73          1HG2      ILE  73   0.172  -3.563  -0.905
  515   2HG2  ILE  73          2HG2      ILE  73   0.562  -3.710  -2.625
  516   3HG2  ILE  73          3HG2      ILE  73  -0.016  -2.156  -1.978
  517   1HD1  ILE  73          1HD1      ILE  73  -1.860  -3.670   0.767
  518   2HD1  ILE  73          2HD1      ILE  73  -3.608  -3.351   0.724
  519   3HD1  ILE  73          3HD1      ILE  73  -2.964  -4.845   0.003
  520    H    ASP  74           H        ASP  74  -2.982  -1.107  -3.659
  521    HA   ASP  74           HA       ASP  74  -0.922   0.026  -5.625
  522   1HB   ASP  74          1HB       ASP  74  -2.790   1.886  -5.908
  523   2HB   ASP  74          2HB       ASP  74  -2.842   0.389  -6.811
  524    H    PHE  75           H        PHE  75  -0.887   2.554  -5.314
  525    HA   PHE  75           HA       PHE  75   0.473   3.063  -2.736
  526   1HB   PHE  75          1HB       PHE  75  -0.357   5.156  -4.828
  527   2HB   PHE  75          2HB       PHE  75   1.024   4.112  -5.041
  528    HD1  PHE  75           HD1      PHE  75   2.964   5.475  -4.792
  529    HD2  PHE  75           HD2      PHE  75  -0.184   5.884  -1.887
  530    HE1  PHE  75           HE1      PHE  75   4.215   7.276  -3.674
  531    HE2  PHE  75           HE2      PHE  75   1.120   7.626  -0.736
  532    HZ   PHE  75           HZ       PHE  75   3.317   8.322  -1.621
  533    H    GLU  76           H        GLU  76  -2.722   3.649  -4.084
  534    HA   GLU  76           HA       GLU  76  -3.664   5.697  -2.210
  535   1HB   GLU  76          1HB       GLU  76  -6.011   4.928  -2.989
  536   2HB   GLU  76          2HB       GLU  76  -5.197   3.777  -4.031
  537   1HG   GLU  76          1HG       GLU  76  -5.938   6.205  -4.922
  538   2HG   GLU  76          2HG       GLU  76  -4.420   6.733  -4.214
  539    H    GLU  77           H        GLU  77  -4.812   2.325  -2.458
  540    HA   GLU  77           HA       GLU  77  -5.900   2.004   0.205
  541   1HB   GLU  77          1HB       GLU  77  -5.826   0.371  -1.973
  542   2HB   GLU  77          2HB       GLU  77  -4.586  -0.418  -1.018
  543   1HG   GLU  77          1HG       GLU  77  -6.360  -0.447   0.945
  544   2HG   GLU  77          2HG       GLU  77  -7.542  -0.007  -0.277
  545    H    PHE  78           H        PHE  78  -2.605   1.922  -0.983
  546    HA   PHE  78           HA       PHE  78  -1.283   0.539   1.212
  547   1HB   PHE  78          1HB       PHE  78   0.066   0.678  -0.678
  548   2HB   PHE  78          2HB       PHE  78  -0.364   2.327  -1.046
  549    HD1  PHE  78           HD1      PHE  78   1.030   4.181  -0.231
  550    HD2  PHE  78           HD2      PHE  78   1.723   0.207   1.265
  551    HE1  PHE  78           HE1      PHE  78   3.201   4.893   0.687
  552    HE2  PHE  78           HE2      PHE  78   3.893   0.936   2.168
  553    HZ   PHE  78           HZ       PHE  78   4.630   3.278   1.894
  554    H    LEU  79           H        LEU  79  -2.061   3.957   0.649
  555    HA   LEU  79           HA       LEU  79  -0.773   5.041   3.113
  556   1HB   LEU  79          1HB       LEU  79  -2.936   6.279   1.308
  557   2HB   LEU  79          2HB       LEU  79  -2.134   7.114   2.621
  558    HG   LEU  79           HG       LEU  79  -0.429   5.920   0.381
  559   1HD1  LEU  79          1HD1      LEU  79  -0.055   8.488   2.050
  560   2HD1  LEU  79          2HD1      LEU  79   0.661   6.918   2.461
  561   3HD1  LEU  79          3HD1      LEU  79   1.136   7.741   0.954
  562   1HD2  LEU  79          1HD2      LEU  79  -0.681   7.921  -1.024
  563   2HD2  LEU  79          2HD2      LEU  79  -2.316   7.285  -0.717
  564   3HD2  LEU  79          3HD2      LEU  79  -1.745   8.704   0.173
  565    H    VAL  80           H        VAL  80  -3.922   3.788   2.153
  566    HA   VAL  80           HA       VAL  80  -5.528   4.713   4.404
  567    HB   VAL  80           HB       VAL  80  -5.945   2.407   2.456
  568   1HG1  VAL  80          1HG1      VAL  80  -8.255   2.094   3.366
  569   2HG1  VAL  80          2HG1      VAL  80  -7.041   1.671   4.580
  570   3HG1  VAL  80          3HG1      VAL  80  -7.903   3.221   4.701
  571   1HG2  VAL  80          1HG2      VAL  80  -7.514   5.043   2.823
  572   2HG2  VAL  80          2HG2      VAL  80  -6.331   4.724   1.532
  573   3HG2  VAL  80          3HG2      VAL  80  -7.831   3.787   1.601
  574    H    MET  81           H        MET  81  -3.435   1.921   3.899
  575    HA   MET  81           HA       MET  81  -4.270   0.362   6.287
  576   1HB   MET  81          1HB       MET  81  -2.987  -1.299   5.447
  577   2HB   MET  81          2HB       MET  81  -2.872  -0.300   4.011
  578   1HG   MET  81          1HG       MET  81  -0.726   0.717   5.474
  579   2HG   MET  81          2HG       MET  81  -0.610  -0.563   4.256
  580   1HE   MET  81          1HE       MET  81  -0.307  -3.859   6.115
  581   2HE   MET  81          2HE       MET  81  -0.982  -3.029   4.683
  582   3HE   MET  81          3HE       MET  81   0.766  -2.912   5.037
  583    H    MET  82           H        MET  82  -1.791   2.748   5.517
  584    HA   MET  82           HA       MET  82  -0.119   2.479   7.910
  585   1HB   MET  82          1HB       MET  82   0.803   4.728   7.347
  586   2HB   MET  82          2HB       MET  82  -0.484   4.994   6.185
  587   1HG   MET  82          1HG       MET  82   0.641   2.542   5.299
  588   2HG   MET  82          2HG       MET  82   0.911   4.146   4.598
  589   1HE   MET  82          1HE       MET  82   3.556   2.918   8.250
  590   2HE   MET  82          2HE       MET  82   1.855   3.468   8.303
  591   3HE   MET  82          3HE       MET  82   2.241   1.821   7.723
  592    H    VAL  83           H        VAL  83  -2.455   5.065   7.078
  593    HA   VAL  83           HA       VAL  83  -2.740   6.384   9.570
  594    HB   VAL  83           HB       VAL  83  -4.941   5.895   7.502
  595   1HG1  VAL  83          1HG1      VAL  83  -6.173   7.819   8.522
  596   2HG1  VAL  83          2HG1      VAL  83  -6.026   6.489   9.679
  597   3HG1  VAL  83          3HG1      VAL  83  -4.976   7.915   9.839
  598   1HG2  VAL  83          1HG2      VAL  83  -3.151   8.376   7.951
  599   2HG2  VAL  83          2HG2      VAL  83  -3.030   7.241   6.587
  600   3HG2  VAL  83          3HG2      VAL  83  -4.477   8.243   6.768
  601    NH1  ARG  84           NH1      ARG  84  -9.125  -2.299   8.100
  602    NH2  ARG  84           NH2      ARG  84  -8.460  -1.876   5.969
  603    H    ARG  84           H        ARG  84  -3.903   3.223   8.619
  604    HA   ARG  84           HA       ARG  84  -5.849   2.697  10.759
  605   1HB   ARG  84          1HB       ARG  84  -4.892   1.282   8.494
  606   2HB   ARG  84          2HB       ARG  84  -4.368   0.298   9.854
  607   1HG   ARG  84          1HG       ARG  84  -6.767   0.359  10.774
  608   2HG   ARG  84          2HG       ARG  84  -7.266   1.168   9.287
  609   1HD   ARG  84          1HD       ARG  84  -5.658  -1.335   8.818
  610   2HD   ARG  84          2HD       ARG  84  -7.185  -1.615   9.652
  611    HE   ARG  84           HE       ARG  84  -7.187  -0.015   7.051
  612   1HH1  ARG  84          1HH1      ARG  84  -9.769  -2.979   7.680
  613   2HH1  ARG  84          2HH1      ARG  84  -9.041  -2.065   9.095
  614   1HH2  ARG  84          1HH2      ARG  84  -7.802  -1.395   5.346
  615   2HH2  ARG  84          2HH2      ARG  84  -9.212  -2.517   5.693
  616    H    GLN  85           H        GLN  85  -2.575   1.264  10.423
  617    HA   GLN  85           HA       GLN  85  -2.503   0.209  13.168
  618   1HB   GLN  85          1HB       GLN  85   0.157   0.617  11.856
  619   2HB   GLN  85          2HB       GLN  85  -1.017  -0.212  10.847
  620   1HG   GLN  85          1HG       GLN  85   0.064  -1.103  13.570
  621   2HG   GLN  85          2HG       GLN  85  -1.429  -1.780  12.952
  622   1HE2  GLN  85          1HE2      GLN  85   2.178  -2.859  11.201
  623   2HE2  GLN  85          2HE2      GLN  85   2.048  -1.387  12.289
  624    H    MET  86           H        MET  86  -0.643   2.841  11.628
  625    HA   MET  86           HA       MET  86   0.947   3.916  13.633
  626   1HB   MET  86          1HB       MET  86  -0.179   6.277  12.507
  627   2HB   MET  86          2HB       MET  86  -0.376   5.064  11.256
  628   1HG   MET  86          1HG       MET  86   2.326   4.715  12.206
  629   2HG   MET  86          2HG       MET  86   1.791   5.358  10.645
  630   1HE   MET  86          1HE       MET  86   3.946   7.722  10.543
  631   2HE   MET  86          2HE       MET  86   4.652   7.577  12.179
  632   3HE   MET  86          3HE       MET  86   4.256   6.104  11.246
  633    H    LYS  87           H        LYS  87  -2.556   4.299  13.352
  634    HA   LYS  87           HA       LYS  87  -3.068   6.214  15.483
  635   1HB   LYS  87          1HB       LYS  87  -4.693   4.389  13.868
  636   2HB   LYS  87          2HB       LYS  87  -5.222   4.283  15.534
  637   1HG   LYS  87          1HG       LYS  87  -5.059   6.833  13.822
  638   2HG   LYS  87          2HG       LYS  87  -6.518   5.962  14.248
  639   1HD   LYS  87          1HD       LYS  87  -4.997   6.794  16.681
  640   2HD   LYS  87          2HD       LYS  87  -5.343   8.150  15.620
  641   1HE   LYS  87          1HE       LYS  87  -7.208   8.080  17.115
  642   2HE   LYS  87          2HE       LYS  87  -7.836   7.424  15.602
  643   1HZ   LYS  87          1HZ       LYS  87  -7.103   5.163  16.734
  644   2HZ   LYS  87          2HZ       LYS  87  -7.273   6.034  18.127
  645   3HZ   LYS  87          3HZ       LYS  87  -8.553   5.866  17.096
  646    H    GLU  88           H        GLU  88  -3.439   2.649  15.648
  647    HA   GLU  88           HA       GLU  88  -3.371   1.119  17.507
  648   1HB   GLU  88          1HB       GLU  88  -0.799   2.694  17.552
  649   2HB   GLU  88          2HB       GLU  88  -1.138   1.687  18.945
  650   1HG   GLU  88          1HG       GLU  88  -1.658  -0.088  16.810
  651   2HG   GLU  88          2HG       GLU  88  -0.359   0.899  16.160
  652    H    ASP  89           H        ASP  89  -1.754   3.503  19.472
  653    HA   ASP  89           HA       ASP  89  -2.398   4.713  21.449
  654   1HB   ASP  89          1HB       ASP  89  -5.338   4.088  20.870
  655   2HB   ASP  89          2HB       ASP  89  -4.474   5.317  19.976
  656    H    ALA  90           H        ALA  90  -1.305   3.029  22.501
  657    HA   ALA  90           HA       ALA  90  -1.012   1.264  24.121
  658   1HB   ALA  90          1HB       ALA  90  -3.867   2.169  24.631
  659   2HB   ALA  90          2HB       ALA  90  -3.403   0.582  25.277
  660   3HB   ALA  90          3HB       ALA  90  -2.502   2.037  25.769
   
  Start of MODEL           9
 Raw file had  660 H/Q atoms
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1 -19.987  11.534   7.304
    2   2H    ALA   1          2H        ALA   1 -21.314  10.832   6.547
    3   3H    ALA   1          3H        ALA   1 -21.167  10.764   8.221
    4    HA   ALA   1           HA       ALA   1 -18.915   9.623   7.678
    5   1HB   ALA   1          1HB       ALA   1 -19.909   7.668   8.467
    6   2HB   ALA   1          2HB       ALA   1 -21.225   8.795   8.847
    7   3HB   ALA   1          3HB       ALA   1 -21.319   7.776   7.388
    8    H    SER   2           H        SER   2 -17.818   8.698   6.063
    9    HA   SER   2           HA       SER   2 -19.136   7.961   3.424
   10   1HB   SER   2          1HB       SER   2 -18.521  10.331   3.117
   11   2HB   SER   2          2HB       SER   2 -16.849  10.003   3.579
   12    HG   SER   2           HG       SER   2 -18.000   9.756   1.221
   13    H    MET   3           H        MET   3 -18.649   5.844   3.832
   14    HA   MET   3           HA       MET   3 -15.758   4.982   4.293
   15   1HB   MET   3          1HB       MET   3 -18.417   3.836   5.014
   16   2HB   MET   3          2HB       MET   3 -17.302   2.647   4.367
   17   1HG   MET   3          1HG       MET   3 -15.537   3.625   6.100
   18   2HG   MET   3          2HG       MET   3 -16.949   4.342   6.894
   19   1HE   MET   3          1HE       MET   3 -18.910   1.550   8.470
   20   2HE   MET   3          2HE       MET   3 -17.823   2.822   9.104
   21   3HE   MET   3          3HE       MET   3 -18.946   3.197   7.764
   22    H    THR   4           H        THR   4 -18.403   4.922   1.992
   23    HA   THR   4           HA       THR   4 -17.625   2.988   0.025
   24    HB   THR   4           HB       THR   4 -18.760   4.236  -1.657
   25    HG1  THR   4           HG1      THR   4 -18.030   6.385  -0.086
   26   1HG2  THR   4          1HG2      THR   4 -20.937   4.857  -0.679
   27   2HG2  THR   4          2HG2      THR   4 -20.362   3.360   0.090
   28   3HG2  THR   4          3HG2      THR   4 -20.258   4.911   0.962
   29    H    ASP   5           H        ASP   5 -16.107   5.972   1.012
   30    HA   ASP   5           HA       ASP   5 -13.712   5.368  -0.786
   31   1HB   ASP   5          1HB       ASP   5 -15.231   8.003  -0.661
   32   2HB   ASP   5          2HB       ASP   5 -13.499   8.032  -0.906
   33    H    GLN   6           H        GLN   6 -13.543   4.416   1.555
   34    HA   GLN   6           HA       GLN   6 -12.494   6.184   3.716
   35   1HB   GLN   6          1HB       GLN   6 -11.996   4.212   4.941
   36   2HB   GLN   6          2HB       GLN   6 -13.484   3.869   4.077
   37   1HG   GLN   6          1HG       GLN   6 -10.864   2.997   2.790
   38   2HG   GLN   6          2HG       GLN   6 -12.465   2.318   2.588
   39   1HE2  GLN   6          1HE2      GLN   6 -12.010   0.864   6.156
   40   2HE2  GLN   6          2HE2      GLN   6 -13.116   2.139   5.438
   41    H    GLN   7           H        GLN   7 -11.199   4.431   0.949
   42    HA   GLN   7           HA       GLN   7  -8.395   4.301   1.369
   43   1HB   GLN   7          1HB       GLN   7  -8.162   4.816  -1.176
   44   2HB   GLN   7          2HB       GLN   7  -9.038   3.384  -0.663
   45   1HG   GLN   7          1HG       GLN   7 -11.181   5.063  -0.843
   46   2HG   GLN   7          2HG       GLN   7 -10.123   5.915  -1.949
   47   1HE2  GLN   7          1HE2      GLN   7 -11.894   2.402  -3.130
   48   2HE2  GLN   7          2HE2      GLN   7 -12.083   3.089  -1.440
   49    H    ALA   8           H        ALA   8 -10.151   7.085  -0.064
   50    HA   ALA   8           HA       ALA   8  -7.862   8.923  -0.197
   51   1HB   ALA   8          1HB       ALA   8  -9.566   9.560  -1.644
   52   2HB   ALA   8          2HB       ALA   8 -10.869   9.215  -0.490
   53   3HB   ALA   8          3HB       ALA   8  -9.886  10.690  -0.306
   54    H    GLU   9           H        GLU   9 -10.265   8.150   2.256
   55    HA   GLU   9           HA       GLU   9 -10.170  10.367   4.051
   56   1HB   GLU   9          1HB       GLU   9 -11.503   8.043   4.149
   57   2HB   GLU   9          2HB       GLU   9 -10.226   7.587   5.259
   58   1HG   GLU   9          1HG       GLU   9 -12.071  10.040   5.613
   59   2HG   GLU   9          2HG       GLU   9 -10.793   9.582   6.726
   60    H    ALA  10           H        ALA  10  -7.881   7.706   3.632
   61    HA   ALA  10           HA       ALA  10  -6.247   8.120   6.043
   62   1HB   ALA  10          1HB       ALA  10  -4.595   6.619   4.939
   63   2HB   ALA  10          2HB       ALA  10  -6.240   5.965   4.822
   64   3HB   ALA  10          3HB       ALA  10  -5.482   6.724   3.399
   65    NH1  ARG  11           NH1      ARG  11  -4.451  13.167  -3.695
   66    NH2  ARG  11           NH2      ARG  11  -6.687  12.922  -3.376
   67    H    ARG  11           H        ARG  11  -6.032   9.268   2.691
   68    HA   ARG  11           HA       ARG  11  -3.456  10.641   2.755
   69   1HB   ARG  11          1HB       ARG  11  -4.453  10.268   0.597
   70   2HB   ARG  11          2HB       ARG  11  -5.961  11.045   1.057
   71   1HG   ARG  11          1HG       ARG  11  -5.162  13.219   0.765
   72   2HG   ARG  11          2HG       ARG  11  -3.495  12.803   1.166
   73   1HD   ARG  11          1HD       ARG  11  -3.325  11.525  -1.063
   74   2HD   ARG  11          2HD       ARG  11  -3.500  13.272  -1.215
   75    HE   ARG  11           HE       ARG  11  -5.996  11.533  -1.439
   76   1HH1  ARG  11          1HH1      ARG  11  -4.704  13.566  -4.606
   77   2HH1  ARG  11          2HH1      ARG  11  -3.504  13.052  -3.316
   78   1HH2  ARG  11          1HH2      ARG  11  -7.439  12.503  -2.818
   79   2HH2  ARG  11          2HH2      ARG  11  -6.791  13.454  -4.247
   80    H    ALA  12           H        ALA  12  -6.680  11.556   3.830
   81    HA   ALA  12           HA       ALA  12  -6.544  14.386   4.142
   82   1HB   ALA  12          1HB       ALA  12  -8.207  14.175   5.977
   83   2HB   ALA  12          2HB       ALA  12  -8.603  13.095   4.626
   84   3HB   ALA  12          3HB       ALA  12  -7.884  12.429   6.113
   85    H    PHE  13           H        PHE  13  -5.039  11.866   6.092
   86    HA   PHE  13           HA       PHE  13  -4.012  13.880   8.132
   87   1HB   PHE  13          1HB       PHE  13  -5.250  11.828   8.936
   88   2HB   PHE  13          2HB       PHE  13  -4.007  10.803   8.268
   89    HD1  PHE  13           HD1      PHE  13  -3.334   9.810  10.413
   90    HD2  PHE  13           HD2      PHE  13  -3.246  14.089   9.951
   91    HE1  PHE  13           HE1      PHE  13  -2.048  10.021  12.500
   92    HE2  PHE  13           HE2      PHE  13  -1.943  14.276  12.028
   93    HZ   PHE  13           HZ       PHE  13  -1.393  12.254  13.336
   94    H    LEU  14           H        LEU  14  -2.947  13.899   5.525
   95    HA   LEU  14           HA       LEU  14  -0.017  13.476   6.063
   96   1HB   LEU  14          1HB       LEU  14  -1.323  12.040   3.675
   97   2HB   LEU  14          2HB       LEU  14   0.400  12.196   3.943
   98    HG   LEU  14           HG       LEU  14  -1.395  10.797   6.009
   99   1HD1  LEU  14          1HD1      LEU  14   1.610  10.433   5.409
  100   2HD1  LEU  14          2HD1      LEU  14   0.969  11.473   6.694
  101   3HD1  LEU  14          3HD1      LEU  14   0.692   9.715   6.758
  102   1HD2  LEU  14          1HD2      LEU  14  -0.970   8.623   4.941
  103   2HD2  LEU  14          2HD2      LEU  14  -1.674   9.692   3.703
  104   3HD2  LEU  14          3HD2      LEU  14   0.066   9.368   3.697
  105    H    SER  15           H        SER  15   0.663  15.428   5.631
  106    HA   SER  15           HA       SER  15  -0.579  17.520   4.100
  107   1HB   SER  15          1HB       SER  15   1.985  18.368   3.971
  108   2HB   SER  15          2HB       SER  15   2.218  17.082   5.159
  109    HG   SER  15           HG       SER  15   1.564  18.595   6.431
  110    H    GLU  16           H        GLU  16   0.376  18.557   2.130
  111    HA   GLU  16           HA       GLU  16   0.217  16.693  -0.177
  112   1HB   GLU  16          1HB       GLU  16  -0.437  19.317   0.106
  113   2HB   GLU  16          2HB       GLU  16   1.152  19.530  -0.601
  114   1HG   GLU  16          1HG       GLU  16   0.385  17.951  -2.533
  115   2HG   GLU  16          2HG       GLU  16  -1.230  18.027  -1.849
  116    H    GLU  17           H        GLU  17   2.740  18.402   1.570
  117    HA   GLU  17           HA       GLU  17   4.921  17.871  -0.417
  118   1HB   GLU  17          1HB       GLU  17   4.859  19.205   2.307
  119   2HB   GLU  17          2HB       GLU  17   6.396  18.662   1.665
  120   1HG   GLU  17          1HG       GLU  17   5.479  20.065  -0.538
  121   2HG   GLU  17          2HG       GLU  17   4.609  20.921   0.724
  122    H    MET  18           H        MET  18   3.712  16.498   2.595
  123    HA   MET  18           HA       MET  18   5.920  14.630   3.162
  124   1HB   MET  18          1HB       MET  18   4.563  15.066   5.040
  125   2HB   MET  18          2HB       MET  18   3.060  14.878   4.156
  126   1HG   MET  18          1HG       MET  18   4.704  12.355   4.308
  127   2HG   MET  18          2HG       MET  18   2.960  12.590   4.503
  128   1HE   MET  18          1HE       MET  18   6.420  12.391   6.000
  129   2HE   MET  18          2HE       MET  18   6.109  12.228   7.754
  130   3HE   MET  18          3HE       MET  18   5.514  10.976   6.625
  131    H    ILE  19           H        ILE  19   2.960  14.494   1.253
  132    HA   ILE  19           HA       ILE  19   2.911  11.647   0.569
  133    HB   ILE  19           HB       ILE  19   1.815  14.054  -0.963
  134   1HG1  ILE  19          1HG1      ILE  19   0.779  13.233   1.357
  135   2HG1  ILE  19          2HG1      ILE  19  -0.270  13.669   0.025
  136   1HG2  ILE  19          1HG2      ILE  19   0.558  12.456  -2.425
  137   2HG2  ILE  19          2HG2      ILE  19   2.294  12.221  -2.616
  138   3HG2  ILE  19          3HG2      ILE  19   1.355  11.072  -1.637
  139   1HD1  ILE  19          1HD1      ILE  19   0.410  10.775   0.811
  140   2HD1  ILE  19          2HD1      ILE  19  -1.132  11.628   1.026
  141   3HD1  ILE  19          3HD1      ILE  19  -0.559  11.242  -0.613
  142    H    ALA  20           H        ALA  20   4.482  14.481  -0.906
  143    HA   ALA  20           HA       ALA  20   5.543  13.415  -3.320
  144   1HB   ALA  20          1HB       ALA  20   7.253  15.303  -1.643
  145   2HB   ALA  20          2HB       ALA  20   6.993  15.281  -3.398
  146   3HB   ALA  20          3HB       ALA  20   5.701  15.856  -2.314
  147    H    GLU  21           H        GLU  21   7.172  13.487  -0.128
  148    HA   GLU  21           HA       GLU  21   9.567  11.995  -0.993
  149   1HB   GLU  21          1HB       GLU  21   8.562  12.620   1.833
  150   2HB   GLU  21          2HB       GLU  21   9.642  13.610   0.872
  151   1HG   GLU  21          1HG       GLU  21  11.301  11.577   0.885
  152   2HG   GLU  21          2HG       GLU  21  10.249  10.846   2.085
  153    H    PHE  22           H        PHE  22   6.490  11.152   0.487
  154    HA   PHE  22           HA       PHE  22   6.926   8.496   1.453
  155   1HB   PHE  22          1HB       PHE  22   4.354   9.293  -0.021
  156   2HB   PHE  22          2HB       PHE  22   4.753   9.943   1.548
  157    HD1  PHE  22           HD1      PHE  22   2.270   8.302   1.007
  158    HD2  PHE  22           HD2      PHE  22   6.180   7.036   2.287
  159    HE1  PHE  22           HE1      PHE  22   1.286   6.334   2.104
  160    HE2  PHE  22           HE2      PHE  22   5.177   5.064   3.363
  161    HZ   PHE  22           HZ       PHE  22   2.730   4.729   3.308
  162    H    LYS  23           H        LYS  23   5.793   9.444  -1.806
  163    HA   LYS  23           HA       LYS  23   5.670   6.912  -3.114
  164   1HB   LYS  23          1HB       LYS  23   4.929   9.102  -4.132
  165   2HB   LYS  23          2HB       LYS  23   6.599   9.543  -4.422
  166   1HG   LYS  23          1HG       LYS  23   5.382   8.669  -6.447
  167   2HG   LYS  23          2HG       LYS  23   6.884   7.832  -6.108
  168   1HD   LYS  23          1HD       LYS  23   4.150   6.703  -5.223
  169   2HD   LYS  23          2HD       LYS  23   5.703   5.883  -5.204
  170   1HE   LYS  23          1HE       LYS  23   5.789   6.144  -7.785
  171   2HE   LYS  23          2HE       LYS  23   4.617   4.991  -7.146
  172   1HZ   LYS  23          1HZ       LYS  23   3.852   6.654  -8.913
  173   2HZ   LYS  23          2HZ       LYS  23   2.859   6.457  -7.607
  174   3HZ   LYS  23          3HZ       LYS  23   3.823   7.794  -7.718
  175    H    ALA  24           H        ALA  24   8.460   8.932  -2.371
  176    HA   ALA  24           HA       ALA  24  10.538   7.982  -4.034
  177   1HB   ALA  24          1HB       ALA  24  12.140   8.587  -2.229
  178   2HB   ALA  24          2HB       ALA  24  10.866   9.811  -2.392
  179   3HB   ALA  24          3HB       ALA  24  10.820   8.655  -1.036
  180    H    ALA  25           H        ALA  25   9.496   6.552  -0.927
  181    HA   ALA  25           HA       ALA  25  11.430   4.329  -0.912
  182   1HB   ALA  25          1HB       ALA  25  10.118   3.466   1.018
  183   2HB   ALA  25          2HB       ALA  25  10.441   5.201   1.186
  184   3HB   ALA  25          3HB       ALA  25   8.820   4.642   0.703
  185    H    PHE  26           H        PHE  26   8.117   4.729  -2.049
  186    HA   PHE  26           HA       PHE  26   7.350   1.923  -2.415
  187   1HB   PHE  26          1HB       PHE  26   6.308   4.317  -4.039
  188   2HB   PHE  26          2HB       PHE  26   5.794   3.980  -2.407
  189    HD1  PHE  26           HD1      PHE  26   4.490   1.792  -1.939
  190    HD2  PHE  26           HD2      PHE  26   5.468   3.023  -5.944
  191    HE1  PHE  26           HE1      PHE  26   2.724   0.327  -2.833
  192    HE2  PHE  26           HE2      PHE  26   3.715   1.534  -6.820
  193    HZ   PHE  26           HZ       PHE  26   2.318   0.213  -5.268
  194    H    ASP  27           H        ASP  27   9.169   4.248  -4.338
  195    HA   ASP  27           HA       ASP  27   9.103   2.729  -6.898
  196   1HB   ASP  27          1HB       ASP  27   9.484   5.340  -6.504
  197   2HB   ASP  27          2HB       ASP  27  11.167   4.897  -6.338
  198    H    MET  28           H        MET  28  11.188   2.931  -4.090
  199    HA   MET  28           HA       MET  28  13.698   1.911  -4.970
  200   1HB   MET  28          1HB       MET  28  12.601   0.780  -2.367
  201   2HB   MET  28          2HB       MET  28  12.819   2.515  -2.507
  202   1HG   MET  28          1HG       MET  28  14.922   0.337  -2.392
  203   2HG   MET  28          2HG       MET  28  15.300   1.746  -3.396
  204   1HE   MET  28          1HE       MET  28  13.549   2.277   0.823
  205   2HE   MET  28          2HE       MET  28  13.241   0.944  -0.328
  206   3HE   MET  28          3HE       MET  28  14.641   0.857   0.780
  207    H    PHE  29           H        PHE  29  10.679   0.178  -4.371
  208    HA   PHE  29           HA       PHE  29  11.917  -2.532  -5.007
  209   1HB   PHE  29          1HB       PHE  29   9.016  -1.913  -4.153
  210   2HB   PHE  29          2HB       PHE  29   9.710  -3.497  -4.366
  211    HD1  PHE  29           HD1      PHE  29  10.935  -4.603  -2.611
  212    HD2  PHE  29           HD2      PHE  29  10.002  -0.420  -2.206
  213    HE1  PHE  29           HE1      PHE  29  11.704  -4.645  -0.273
  214    HE2  PHE  29           HE2      PHE  29  10.754  -0.491   0.136
  215    HZ   PHE  29           HZ       PHE  29  11.613  -2.594   1.102
  216    H    ASP  30           H        ASP  30   9.413  -0.276  -6.141
  217    HA   ASP  30           HA       ASP  30   8.579  -1.965  -8.448
  218   1HB   ASP  30          1HB       ASP  30   7.852   0.987  -8.286
  219   2HB   ASP  30          2HB       ASP  30   7.192  -0.115  -7.099
  220    H    ALA  31           H        ALA  31   8.464  -0.680 -10.649
  221    HA   ALA  31           HA       ALA  31  11.293  -0.125 -11.538
  222   1HB   ALA  31          1HB       ALA  31  10.334  -0.173 -13.843
  223   2HB   ALA  31          2HB       ALA  31   9.882  -1.615 -12.914
  224   3HB   ALA  31          3HB       ALA  31   8.687  -0.321 -13.187
  225    H    ASP  32           H        ASP  32  10.664   1.614 -13.660
  226    HA   ASP  32           HA       ASP  32  10.354   4.282 -12.231
  227   1HB   ASP  32          1HB       ASP  32  11.527   3.617 -14.987
  228   2HB   ASP  32          2HB       ASP  32  11.206   5.254 -14.462
  229    H    GLY  33           H        GLY  33   8.055   3.837 -11.998
  230   1HA   GLY  33          1HA       GLY  33   6.475   4.935 -14.392
  231   2HA   GLY  33          2HA       GLY  33   6.046   5.208 -12.700
  232    H    GLY  34           H        GLY  34   4.774   3.806 -11.643
  233   1HA   GLY  34          1HA       GLY  34   3.405   1.584 -13.179
  234   2HA   GLY  34          2HA       GLY  34   4.358   1.035 -11.797
  235    H    GLY  35           H        GLY  35   3.947   2.233  -9.715
  236   1HA   GLY  35          1HA       GLY  35   2.404   3.234  -8.051
  237   2HA   GLY  35          2HA       GLY  35   1.153   3.307  -9.296
  238    H    ASP  36           H        ASP  36   3.060   0.425  -8.712
  239    HA   ASP  36           HA       ASP  36   1.210  -0.908  -6.824
  240   1HB   ASP  36          1HB       ASP  36   0.297  -2.692  -8.256
  241   2HB   ASP  36          2HB       ASP  36  -0.295  -1.115  -8.723
  242    H    ILE  37           H        ILE  37   1.988  -2.936  -6.170
  243    HA   ILE  37           HA       ILE  37   4.577  -4.052  -7.306
  244    HB   ILE  37           HB       ILE  37   5.727  -4.047  -5.096
  245   1HG1  ILE  37          1HG1      ILE  37   4.119  -1.705  -4.044
  246   2HG1  ILE  37          2HG1      ILE  37   3.340  -3.267  -3.904
  247   1HG2  ILE  37          1HG2      ILE  37   6.617  -1.721  -5.294
  248   2HG2  ILE  37          2HG2      ILE  37   6.329  -2.402  -6.901
  249   3HG2  ILE  37          3HG2      ILE  37   5.188  -1.214  -6.226
  250   1HD1  ILE  37          1HD1      ILE  37   6.073  -2.586  -2.674
  251   2HD1  ILE  37          2HD1      ILE  37   4.529  -2.829  -1.829
  252   3HD1  ILE  37          3HD1      ILE  37   5.317  -4.202  -2.641
  253    H    SER  38           H        SER  38   5.156  -6.015  -5.813
  254    HA   SER  38           HA       SER  38   2.795  -7.836  -5.718
  255   1HB   SER  38          1HB       SER  38   5.334  -8.342  -6.351
  256   2HB   SER  38          2HB       SER  38   5.513  -8.637  -4.619
  257    HG   SER  38           HG       SER  38   4.354 -10.356  -4.778
  258    H    THR  39           H        THR  39   2.269  -9.111  -3.833
  259    HA   THR  39           HA       THR  39   1.922  -7.449  -1.360
  260    HB   THR  39           HB       THR  39  -0.055  -8.528  -1.747
  261    HG1  THR  39           HG1      THR  39  -0.313  -9.926  -0.132
  262   1HG2  THR  39          1HG2      THR  39  -0.444 -10.848  -2.451
  263   2HG2  THR  39          2HG2      THR  39   0.680 -10.087  -3.600
  264   3HG2  THR  39          3HG2      THR  39   1.291 -11.229  -2.374
  265    H    LYS  40           H        LYS  40   3.805 -10.209  -2.459
  266    HA   LYS  40           HA       LYS  40   4.655 -11.372   0.052
  267   1HB   LYS  40          1HB       LYS  40   5.145 -11.964  -2.603
  268   2HB   LYS  40          2HB       LYS  40   6.710 -11.317  -2.162
  269   1HG   LYS  40          1HG       LYS  40   5.544 -13.364  -0.265
  270   2HG   LYS  40          2HG       LYS  40   5.936 -13.949  -1.870
  271   1HD   LYS  40          1HD       LYS  40   7.938 -12.543   0.023
  272   2HD   LYS  40          2HD       LYS  40   7.767 -14.280  -0.171
  273   1HE   LYS  40          1HE       LYS  40   9.707 -13.254  -1.483
  274   2HE   LYS  40          2HE       LYS  40   8.540 -12.422  -2.513
  275   1HZ   LYS  40          1HZ       LYS  40   9.188 -15.276  -2.380
  276   2HZ   LYS  40          2HZ       LYS  40   7.619 -14.898  -2.733
  277   3HZ   LYS  40          3HZ       LYS  40   8.841 -14.334  -3.692
  278    H    GLU  41           H        GLU  41   5.803  -8.581  -1.764
  279    HA   GLU  41           HA       GLU  41   8.127  -8.100   0.130
  280   1HB   GLU  41          1HB       GLU  41   8.583  -6.156  -1.584
  281   2HB   GLU  41          2HB       GLU  41   7.414  -6.965  -2.608
  282   1HG   GLU  41          1HG       GLU  41  10.160  -7.976  -1.696
  283   2HG   GLU  41          2HG       GLU  41   9.566  -7.746  -3.331
  284    H    LEU  42           H        LEU  42   5.020  -6.782  -0.850
  285    HA   LEU  42           HA       LEU  42   4.932  -4.127  -0.088
  286   1HB   LEU  42          1HB       LEU  42   2.848  -4.739  -0.807
  287   2HB   LEU  42          2HB       LEU  42   2.927  -6.330  -0.079
  288    HG   LEU  42           HG       LEU  42   2.366  -3.789   1.568
  289   1HD1  LEU  42          1HD1      LEU  42  -0.065  -4.409   1.468
  290   2HD1  LEU  42          2HD1      LEU  42   0.563  -4.013  -0.139
  291   3HD1  LEU  42          3HD1      LEU  42   0.300  -5.716   0.313
  292   1HD2  LEU  42          1HD2      LEU  42   1.873  -6.768   2.239
  293   2HD2  LEU  42          2HD2      LEU  42   3.147  -5.736   2.934
  294   3HD2  LEU  42          3HD2      LEU  42   1.443  -5.377   3.268
  295    H    GLY  43           H        GLY  43   4.699  -6.883   2.174
  296   1HA   GLY  43          1HA       GLY  43   4.950  -7.017   4.600
  297   2HA   GLY  43          2HA       GLY  43   4.409  -5.337   4.643
  298    H    THR  44           H        THR  44   7.292  -6.896   3.174
  299    HA   THR  44           HA       THR  44   9.360  -6.087   4.876
  300    HB   THR  44           HB       THR  44   9.326  -6.499   1.897
  301    HG1  THR  44           HG1      THR  44   9.546  -8.136   3.491
  302   1HG2  THR  44          1HG2      THR  44  11.779  -6.072   1.709
  303   2HG2  THR  44          2HG2      THR  44  10.890  -4.566   2.019
  304   3HG2  THR  44          3HG2      THR  44  11.795  -5.352   3.338
  305    H    VAL  45           H        VAL  45   7.462  -4.149   2.650
  306    HA   VAL  45           HA       VAL  45   9.178  -1.712   2.728
  307    HB   VAL  45           HB       VAL  45   7.301  -2.596   0.932
  308   1HG1  VAL  45          1HG1      VAL  45   5.399  -0.983   0.854
  309   2HG1  VAL  45          2HG1      VAL  45   5.325  -1.948   2.334
  310   3HG1  VAL  45          3HG1      VAL  45   5.904  -0.268   2.407
  311   1HG2  VAL  45          1HG2      VAL  45   8.213   0.343   1.231
  312   2HG2  VAL  45          2HG2      VAL  45   9.107  -0.943   0.387
  313   3HG2  VAL  45          3HG2      VAL  45   7.545  -0.402  -0.245
  314    H    MET  46           H        MET  46   6.153  -2.838   4.226
  315    HA   MET  46           HA       MET  46   5.421  -0.537   5.821
  316   1HB   MET  46          1HB       MET  46   4.878  -3.490   6.012
  317   2HB   MET  46          2HB       MET  46   4.729  -2.604   7.518
  318   1HG   MET  46          1HG       MET  46   2.944  -2.561   5.123
  319   2HG   MET  46          2HG       MET  46   3.300  -0.942   5.747
  320   1HE   MET  46          1HE       MET  46   3.775  -0.885   8.528
  321   2HE   MET  46          2HE       MET  46   2.222  -0.030   8.295
  322   3HE   MET  46          3HE       MET  46   2.374  -1.264   9.580
  323    NH1  ARG  47           NH1      ARG  47  10.887  -7.260  11.747
  324    NH2  ARG  47           NH2      ARG  47  12.515  -6.027  12.743
  325    H    ARG  47           H        ARG  47   7.966  -2.929   6.220
  326    HA   ARG  47           HA       ARG  47   8.636  -2.156   9.062
  327   1HB   ARG  47          1HB       ARG  47   8.802  -4.541   8.367
  328   2HB   ARG  47          2HB       ARG  47   9.974  -4.126   7.124
  329   1HG   ARG  47          1HG       ARG  47  10.540  -3.522  10.080
  330   2HG   ARG  47          2HG       ARG  47  11.690  -3.522   8.741
  331   1HD   ARG  47          1HD       ARG  47  11.504  -5.979   8.466
  332   2HD   ARG  47          2HD       ARG  47  10.177  -6.067   9.623
  333    HE   ARG  47           HE       ARG  47  13.023  -5.279  10.437
  334   1HH1  ARG  47          1HH1      ARG  47  10.733  -7.663  12.678
  335   2HH1  ARG  47          2HH1      ARG  47  10.394  -7.505  10.882
  336   1HH2  ARG  47          1HH2      ARG  47  13.264  -5.333  12.637
  337   2HH2  ARG  47          2HH2      ARG  47  12.246  -6.514  13.604
  338    H    MET  48           H        MET  48   9.923  -1.748   5.788
  339    HA   MET  48           HA       MET  48  12.506  -0.511   6.656
  340   1HB   MET  48          1HB       MET  48  11.743  -1.795   4.330
  341   2HB   MET  48          2HB       MET  48  11.624  -0.124   3.806
  342   1HG   MET  48          1HG       MET  48  14.105   0.037   4.954
  343   2HG   MET  48          2HG       MET  48  13.852  -0.458   3.273
  344   1HE   MET  48          1HE       MET  48  16.644  -1.517   4.804
  345   2HE   MET  48          2HE       MET  48  15.683  -1.051   6.239
  346   3HE   MET  48          3HE       MET  48  16.303  -2.721   6.087
  347    H    LEU  49           H        LEU  49   9.412   0.660   6.738
  348    HA   LEU  49           HA       LEU  49  10.051   3.528   5.990
  349   1HB   LEU  49          1HB       LEU  49   7.618   3.797   7.105
  350   2HB   LEU  49          2HB       LEU  49   7.529   2.064   6.873
  351    HG   LEU  49           HG       LEU  49   7.567   2.221   4.488
  352   1HD1  LEU  49          1HD1      LEU  49   8.446   5.175   4.640
  353   2HD1  LEU  49          2HD1      LEU  49   9.550   3.821   4.334
  354   3HD1  LEU  49          3HD1      LEU  49   8.255   4.190   3.168
  355   1HD2  LEU  49          1HD2      LEU  49   5.708   3.722   3.905
  356   2HD2  LEU  49          2HD2      LEU  49   5.411   3.131   5.559
  357   3HD2  LEU  49          3HD2      LEU  49   6.032   4.769   5.310
  358    H    GLY  50           H        GLY  50   9.603   1.410   8.775
  359   1HA   GLY  50          1HA       GLY  50  11.401   2.079  10.657
  360   2HA   GLY  50          2HA       GLY  50  10.551   3.628  10.665
  361    H    GLN  51           H        GLN  51   9.598   0.186  10.669
  362    HA   GLN  51           HA       GLN  51   8.007   0.580  13.259
  363   1HB   GLN  51          1HB       GLN  51   6.851   0.061  10.594
  364   2HB   GLN  51          2HB       GLN  51   6.501  -1.264  11.690
  365   1HG   GLN  51          1HG       GLN  51   4.721  -0.031  12.363
  366   2HG   GLN  51          2HG       GLN  51   5.862   0.861  13.347
  367   1HE2  GLN  51          1HE2      GLN  51   4.515   3.753  11.668
  368   2HE2  GLN  51          2HE2      GLN  51   4.442   2.702  13.170
  369    H    ASN  52           H        ASN  52   7.180  -1.766  13.858
  370    HA   ASN  52           HA       ASN  52   9.568  -3.653  13.659
  371   1HB   ASN  52          1HB       ASN  52   9.400  -4.166  16.045
  372   2HB   ASN  52          2HB       ASN  52   7.965  -3.183  16.238
  373   1HD2  ASN  52          1HD2      ASN  52  11.390  -1.450  17.106
  374   2HD2  ASN  52          2HD2      ASN  52  10.831  -3.182  17.336
  375    HA   PRO  53           HA       PRO  53   5.246  -5.872  13.034
  376   1HB   PRO  53          1HB       PRO  53   5.324  -6.532  10.363
  377   2HB   PRO  53          2HB       PRO  53   4.786  -4.959  10.971
  378   1HG   PRO  53          1HG       PRO  53   6.466  -4.223   9.498
  379   2HG   PRO  53          2HG       PRO  53   7.523  -5.630   9.758
  380   1HD   PRO  53          1HD       PRO  53   8.612  -4.163  11.283
  381   2HD   PRO  53          2HD       PRO  53   7.170  -3.112  11.426
  382    H    THR  54           H        THR  54   5.037  -8.200  11.972
  383    HA   THR  54           HA       THR  54   7.625  -9.805  12.221
  384    HB   THR  54           HB       THR  54   6.664 -11.545  13.521
  385    HG1  THR  54           HG1      THR  54   4.621 -11.802  13.860
  386   1HG2  THR  54          1HG2      THR  54   6.033 -10.481  15.663
  387   2HG2  THR  54          2HG2      THR  54   7.374  -9.581  14.919
  388   3HG2  THR  54          3HG2      THR  54   5.717  -8.930  14.851
  389    H    LYS  55           H        LYS  55   7.173 -12.115  11.389
  390    HA   LYS  55           HA       LYS  55   6.156 -12.052   8.600
  391   1HB   LYS  55          1HB       LYS  55   6.869 -14.316   8.396
  392   2HB   LYS  55          2HB       LYS  55   6.703 -14.656  10.105
  393   1HG   LYS  55          1HG       LYS  55   8.706 -13.251  10.613
  394   2HG   LYS  55          2HG       LYS  55   8.832 -12.762   8.935
  395   1HD   LYS  55          1HD       LYS  55  10.520 -14.492   9.374
  396   2HD   LYS  55          2HD       LYS  55   9.329 -15.544  10.122
  397   1HE   LYS  55          1HE       LYS  55   8.176 -15.912   7.933
  398   2HE   LYS  55          2HE       LYS  55   9.293 -14.814   7.121
  399   1HZ   LYS  55          1HZ       LYS  55  10.412 -17.094   8.625
  400   2HZ   LYS  55          2HZ       LYS  55   9.716 -17.378   7.154
  401   3HZ   LYS  55          3HZ       LYS  55  10.999 -16.344   7.275
  402    H    GLU  56           H        GLU  56   4.903 -12.974  11.750
  403    HA   GLU  56           HA       GLU  56   2.702 -14.728  10.949
  404   1HB   GLU  56          1HB       GLU  56   3.786 -13.960  13.380
  405   2HB   GLU  56          2HB       GLU  56   2.391 -14.992  13.138
  406   1HG   GLU  56          1HG       GLU  56   2.449 -12.026  13.907
  407   2HG   GLU  56          2HG       GLU  56   1.004 -12.693  13.166
  408    H    GLU  57           H        GLU  57   2.805 -11.242  11.737
  409    HA   GLU  57           HA       GLU  57  -0.044 -10.683  11.170
  410   1HB   GLU  57          1HB       GLU  57   0.838  -9.077  12.576
  411   2HB   GLU  57          2HB       GLU  57   0.753  -8.226  11.045
  412   1HG   GLU  57          1HG       GLU  57   3.369  -9.043  10.880
  413   2HG   GLU  57          2HG       GLU  57   3.196  -9.068  12.630
  414    H    LEU  58           H        LEU  58   2.927 -10.756   9.287
  415    HA   LEU  58           HA       LEU  58   2.110  -9.441   6.838
  416   1HB   LEU  58          1HB       LEU  58   4.457 -10.419   7.551
  417   2HB   LEU  58          2HB       LEU  58   3.902 -11.924   6.850
  418    HG   LEU  58           HG       LEU  58   3.839  -9.347   5.188
  419   1HD1  LEU  58          1HD1      LEU  58   4.235 -12.271   4.290
  420   2HD1  LEU  58          2HD1      LEU  58   2.656 -11.474   4.349
  421   3HD1  LEU  58          3HD1      LEU  58   3.918 -10.856   3.255
  422   1HD2  LEU  58          1HD2      LEU  58   6.127  -9.776   4.359
  423   2HD2  LEU  58          2HD2      LEU  58   6.196  -9.631   6.133
  424   3HD2  LEU  58          3HD2      LEU  58   6.277 -11.232   5.375
  425    H    ASP  59           H        ASP  59   1.548 -12.693   8.079
  426    HA   ASP  59           HA       ASP  59   0.453 -13.914   5.649
  427   1HB   ASP  59          1HB       ASP  59   0.476 -14.717   8.569
  428   2HB   ASP  59          2HB       ASP  59  -0.720 -15.474   7.541
  429    H    ALA  60           H        ALA  60  -0.977 -12.151   8.364
  430    HA   ALA  60           HA       ALA  60  -3.828 -12.626   7.759
  431   1HB   ALA  60          1HB       ALA  60  -4.263 -10.754   9.343
  432   2HB   ALA  60          2HB       ALA  60  -3.090 -11.907  10.010
  433   3HB   ALA  60          3HB       ALA  60  -2.533 -10.337   9.375
  434    H    ILE  61           H        ILE  61  -1.458 -10.139   6.855
  435    HA   ILE  61           HA       ILE  61  -3.029  -8.160   5.595
  436    HB   ILE  61           HB       ILE  61  -0.231  -9.128   4.896
  437   1HG1  ILE  61          1HG1      ILE  61  -1.089  -6.374   5.985
  438   2HG1  ILE  61          2HG1      ILE  61  -0.762  -7.723   7.051
  439   1HG2  ILE  61          1HG2      ILE  61   0.041  -7.196   3.320
  440   2HG2  ILE  61          2HG2      ILE  61  -1.202  -8.302   2.740
  441   3HG2  ILE  61          3HG2      ILE  61  -1.678  -6.772   3.514
  442   1HD1  ILE  61          1HD1      ILE  61   1.322  -6.469   5.170
  443   2HD1  ILE  61          2HD1      ILE  61   1.239  -6.346   6.940
  444   3HD1  ILE  61          3HD1      ILE  61   1.599  -7.914   6.181
  445    H    ILE  62           H        ILE  62  -2.072 -11.365   4.492
  446    HA   ILE  62           HA       ILE  62  -2.937 -11.118   1.665
  447    HB   ILE  62           HB       ILE  62  -1.932 -13.351   3.399
  448   1HG1  ILE  62          1HG1      ILE  62  -0.593 -11.852   1.630
  449   2HG1  ILE  62          2HG1      ILE  62  -1.312 -12.901   0.426
  450   1HG2  ILE  62          1HG2      ILE  62  -2.599 -15.154   1.789
  451   2HG2  ILE  62          2HG2      ILE  62  -4.028 -14.411   2.504
  452   3HG2  ILE  62          3HG2      ILE  62  -3.554 -13.985   0.844
  453   1HD1  ILE  62          1HD1      ILE  62  -0.243 -14.926   1.373
  454   2HD1  ILE  62          2HD1      ILE  62   0.969 -13.668   1.053
  455   3HD1  ILE  62          3HD1      ILE  62   0.431 -13.969   2.721
  456    H    GLU  63           H        GLU  63  -4.359 -12.385   4.663
  457    HA   GLU  63           HA       GLU  63  -6.811 -13.493   3.552
  458   1HB   GLU  63          1HB       GLU  63  -5.874 -13.961   5.859
  459   2HB   GLU  63          2HB       GLU  63  -6.462 -12.399   6.392
  460   1HG   GLU  63          1HG       GLU  63  -8.462 -14.345   5.137
  461   2HG   GLU  63          2HG       GLU  63  -8.755 -13.062   6.299
  462    H    GLU  64           H        GLU  64  -5.886 -10.223   4.417
  463    HA   GLU  64           HA       GLU  64  -8.696  -9.144   4.355
  464   1HB   GLU  64          1HB       GLU  64  -6.855  -8.394   5.994
  465   2HB   GLU  64          2HB       GLU  64  -6.123  -7.518   4.664
  466   1HG   GLU  64          1HG       GLU  64  -7.922  -5.932   4.528
  467   2HG   GLU  64          2HG       GLU  64  -9.065  -6.994   5.334
  468    H    VAL  65           H        VAL  65  -5.840  -9.270   2.317
  469    HA   VAL  65           HA       VAL  65  -6.764  -7.150   0.398
  470    HB   VAL  65           HB       VAL  65  -4.249  -8.756   0.715
  471   1HG1  VAL  65          1HG1      VAL  65  -4.638  -5.813  -0.129
  472   2HG1  VAL  65          2HG1      VAL  65  -4.561  -6.350   1.559
  473   3HG1  VAL  65          3HG1      VAL  65  -3.154  -6.578   0.492
  474   1HG2  VAL  65          1HG2      VAL  65  -3.377  -8.369  -1.538
  475   2HG2  VAL  65          2HG2      VAL  65  -4.939  -9.200  -1.739
  476   3HG2  VAL  65          3HG2      VAL  65  -4.827  -7.458  -2.027
  477    H    ASP  66           H        ASP  66  -5.759 -10.559  -0.116
  478    HA   ASP  66           HA       ASP  66  -7.754 -10.871  -2.362
  479   1HB   ASP  66          1HB       ASP  66  -5.318 -11.682  -2.539
  480   2HB   ASP  66          2HB       ASP  66  -5.717 -12.954  -1.408
  481    H    GLU  67           H        GLU  67  -9.303 -10.487  -0.426
  482    HA   GLU  67           HA       GLU  67 -10.144 -12.985   1.043
  483   1HB   GLU  67          1HB       GLU  67 -12.137 -11.508   1.754
  484   2HB   GLU  67          2HB       GLU  67 -10.546 -11.149   2.395
  485   1HG   GLU  67          1HG       GLU  67 -10.289  -9.200   0.892
  486   2HG   GLU  67          2HG       GLU  67 -11.728  -9.635  -0.016
  487    H    ASP  68           H        ASP  68 -11.067 -11.016  -1.737
  488    HA   ASP  68           HA       ASP  68 -13.103 -13.125  -2.614
  489   1HB   ASP  68          1HB       ASP  68 -14.103 -11.455  -4.118
  490   2HB   ASP  68          2HB       ASP  68 -14.138 -10.928  -2.451
  491    H    GLY  69           H        GLY  69 -10.545 -10.958  -3.881
  492   1HA   GLY  69          1HA       GLY  69  -8.835 -12.739  -5.235
  493   2HA   GLY  69          2HA       GLY  69 -10.174 -12.611  -6.381
  494    H    SER  70           H        SER  70  -7.447 -11.038  -4.989
  495    HA   SER  70           HA       SER  70  -7.681  -8.726  -6.992
  496   1HB   SER  70          1HB       SER  70  -6.813  -7.129  -5.451
  497   2HB   SER  70          2HB       SER  70  -6.310  -8.357  -4.286
  498    HG   SER  70           HG       SER  70  -8.958  -7.667  -5.035
  499    H    GLY  71           H        GLY  71  -5.182  -9.839  -4.690
  500   1HA   GLY  71          1HA       GLY  71  -2.969 -10.798  -5.030
  501   2HA   GLY  71          2HA       GLY  71  -3.443 -11.161  -6.691
  502    H    THR  72           H        THR  72  -3.769  -7.918  -5.450
  503    HA   THR  72           HA       THR  72  -1.113  -6.949  -6.386
  504    HB   THR  72           HB       THR  72  -2.401  -5.137  -7.904
  505    HG1  THR  72           HG1      THR  72  -4.030  -5.999  -8.980
  506   1HG2  THR  72          1HG2      THR  72  -1.918  -7.675  -9.459
  507   2HG2  THR  72          2HG2      THR  72  -1.364  -6.018  -9.783
  508   3HG2  THR  72          3HG2      THR  72  -0.519  -7.024  -8.577
  509    H    ILE  73           H        ILE  73  -0.766  -4.723  -5.818
  510    HA   ILE  73           HA       ILE  73  -2.777  -3.455  -3.976
  511    HB   ILE  73           HB       ILE  73  -1.210  -5.038  -2.646
  512   1HG1  ILE  73          1HG1      ILE  73  -2.846  -3.039  -1.892
  513   2HG1  ILE  73          2HG1      ILE  73  -1.894  -3.976  -0.755
  514   1HG2  ILE  73          1HG2      ILE  73   0.907  -4.140  -1.752
  515   2HG2  ILE  73          2HG2      ILE  73   1.020  -4.221  -3.516
  516   3HG2  ILE  73          3HG2      ILE  73   0.750  -2.654  -2.716
  517   1HD1  ILE  73          1HD1      ILE  73  -0.588  -1.436  -1.814
  518   2HD1  ILE  73          2HD1      ILE  73  -1.917  -1.294  -0.643
  519   3HD1  ILE  73          3HD1      ILE  73  -0.455  -2.213  -0.212
  520    H    ASP  74           H        ASP  74  -2.728  -1.288  -4.000
  521    HA   ASP  74           HA       ASP  74  -0.686   0.091  -5.812
  522   1HB   ASP  74          1HB       ASP  74  -2.606   1.980  -5.696
  523   2HB   ASP  74          2HB       ASP  74  -2.584   0.698  -6.886
  524    H    PHE  75           H        PHE  75  -0.528   2.523  -5.201
  525    HA   PHE  75           HA       PHE  75   0.715   2.681  -2.496
  526   1HB   PHE  75          1HB       PHE  75   0.443   4.700  -4.785
  527   2HB   PHE  75          2HB       PHE  75   1.856   3.780  -4.340
  528    HD1  PHE  75           HD1      PHE  75   3.421   4.674  -2.682
  529    HD2  PHE  75           HD2      PHE  75  -0.468   6.480  -3.052
  530    HE1  PHE  75           HE1      PHE  75   4.227   6.678  -1.502
  531    HE2  PHE  75           HE2      PHE  75   0.362   8.480  -1.878
  532    HZ   PHE  75           HZ       PHE  75   2.710   8.592  -1.122
  533    H    GLU  76           H        GLU  76  -2.343   3.506  -3.958
  534    HA   GLU  76           HA       GLU  76  -3.384   5.432  -2.004
  535   1HB   GLU  76          1HB       GLU  76  -4.843   3.475  -3.848
  536   2HB   GLU  76          2HB       GLU  76  -5.683   4.587  -2.786
  537   1HG   GLU  76          1HG       GLU  76  -4.103   6.426  -4.054
  538   2HG   GLU  76          2HG       GLU  76  -4.063   5.183  -5.293
  539    H    GLU  77           H        GLU  77  -4.298   2.000  -2.367
  540    HA   GLU  77           HA       GLU  77  -5.389   1.514   0.261
  541   1HB   GLU  77          1HB       GLU  77  -4.590  -0.964  -0.169
  542   2HB   GLU  77          2HB       GLU  77  -4.109  -0.380  -1.749
  543   1HG   GLU  77          1HG       GLU  77  -6.979  -0.147  -0.632
  544   2HG   GLU  77          2HG       GLU  77  -6.472   0.325  -2.245
  545    H    PHE  78           H        PHE  78  -2.070   1.575  -0.897
  546    HA   PHE  78           HA       PHE  78  -0.656   0.358   1.311
  547   1HB   PHE  78          1HB       PHE  78   0.507   0.818  -0.770
  548   2HB   PHE  78          2HB       PHE  78   0.204   2.533  -0.674
  549    HD1  PHE  78           HD1      PHE  78   1.724  -0.035   1.717
  550    HD2  PHE  78           HD2      PHE  78   2.130   3.815  -0.162
  551    HE1  PHE  78           HE1      PHE  78   3.978   0.207   2.675
  552    HE2  PHE  78           HE2      PHE  78   4.406   4.013   0.758
  553    HZ   PHE  78           HZ       PHE  78   5.323   2.225   2.196
  554    H    LEU  79           H        LEU  79  -1.632   3.739   0.757
  555    HA   LEU  79           HA       LEU  79  -0.588   4.937   3.204
  556   1HB   LEU  79          1HB       LEU  79  -2.978   5.777   1.461
  557   2HB   LEU  79          2HB       LEU  79  -2.405   6.720   2.820
  558    HG   LEU  79           HG       LEU  79  -0.324   6.010   0.731
  559   1HD1  LEU  79          1HD1      LEU  79  -1.048   7.842  -0.805
  560   2HD1  LEU  79          2HD1      LEU  79  -2.290   6.580  -0.711
  561   3HD1  LEU  79          3HD1      LEU  79  -2.518   8.113   0.166
  562   1HD2  LEU  79          1HD2      LEU  79  -0.936   8.612   2.286
  563   2HD2  LEU  79          2HD2      LEU  79   0.335   7.428   2.679
  564   3HD2  LEU  79          3HD2      LEU  79   0.439   8.364   1.181
  565    H    VAL  80           H        VAL  80  -3.610   3.273   2.429
  566    HA   VAL  80           HA       VAL  80  -5.184   3.950   4.775
  567    HB   VAL  80           HB       VAL  80  -5.355   1.566   2.883
  568   1HG1  VAL  80          1HG1      VAL  80  -7.531   0.924   3.940
  569   2HG1  VAL  80          2HG1      VAL  80  -6.195   0.718   5.081
  570   3HG1  VAL  80          3HG1      VAL  80  -7.277   2.121   5.236
  571   1HG2  VAL  80          1HG2      VAL  80  -7.285   3.939   3.314
  572   2HG2  VAL  80          2HG2      VAL  80  -6.147   3.776   1.956
  573   3HG2  VAL  80          3HG2      VAL  80  -7.478   2.622   2.131
  574    H    MET  81           H        MET  81  -2.827   1.381   4.133
  575    HA   MET  81           HA       MET  81  -3.239  -0.197   6.587
  576   1HB   MET  81          1HB       MET  81  -0.714  -0.099   4.833
  577   2HB   MET  81          2HB       MET  81  -1.082  -1.309   6.048
  578   1HG   MET  81          1HG       MET  81  -2.898  -0.859   3.598
  579   2HG   MET  81          2HG       MET  81  -1.530  -1.984   3.600
  580   1HE   MET  81          1HE       MET  81  -5.677  -2.889   4.608
  581   2HE   MET  81          2HE       MET  81  -5.279  -1.510   5.676
  582   3HE   MET  81          3HE       MET  81  -4.964  -1.396   3.920
  583    H    MET  82           H        MET  82  -0.808   2.242   5.637
  584    HA   MET  82           HA       MET  82   0.865   2.237   7.973
  585   1HB   MET  82          1HB       MET  82   0.305   4.290   5.826
  586   2HB   MET  82          2HB       MET  82   1.050   4.882   7.301
  587   1HG   MET  82          1HG       MET  82   2.642   4.161   5.369
  588   2HG   MET  82          2HG       MET  82   2.233   2.487   5.776
  589   1HE   MET  82          1HE       MET  82   4.221   5.736   6.819
  590   2HE   MET  82          2HE       MET  82   2.824   5.830   7.931
  591   3HE   MET  82          3HE       MET  82   4.458   5.505   8.580
  592    H    VAL  83           H        VAL  83  -1.717   4.616   7.264
  593    HA   VAL  83           HA       VAL  83  -1.933   5.928   9.780
  594    HB   VAL  83           HB       VAL  83  -4.338   5.313   7.988
  595   1HG1  VAL  83          1HG1      VAL  83  -5.301   7.428   8.911
  596   2HG1  VAL  83          2HG1      VAL  83  -5.020   6.255  10.205
  597   3HG1  VAL  83          3HG1      VAL  83  -3.899   7.620   9.995
  598   1HG2  VAL  83          1HG2      VAL  83  -2.397   7.711   7.795
  599   2HG2  VAL  83          2HG2      VAL  83  -2.551   6.402   6.601
  600   3HG2  VAL  83          3HG2      VAL  83  -3.906   7.509   6.867
  601    NH1  ARG  84           NH1      ARG  84  -8.818  -1.156   9.509
  602    NH2  ARG  84           NH2      ARG  84  -9.215  -0.365   7.417
  603    H    ARG  84           H        ARG  84  -3.234   2.807   8.757
  604    HA   ARG  84           HA       ARG  84  -5.076   2.115  10.888
  605   1HB   ARG  84          1HB       ARG  84  -3.206  -0.038   9.841
  606   2HB   ARG  84          2HB       ARG  84  -4.231   0.795   8.681
  607   1HG   ARG  84          1HG       ARG  84  -5.032  -1.092  10.897
  608   2HG   ARG  84          2HG       ARG  84  -6.141   0.246  10.593
  609   1HD   ARG  84          1HD       ARG  84  -5.135  -1.306   8.167
  610   2HD   ARG  84          2HD       ARG  84  -6.302  -2.107   9.217
  611    HE   ARG  84           HE       ARG  84  -6.836   0.469   7.677
  612   1HH1  ARG  84          1HH1      ARG  84 -10.202  -0.567   7.614
  613   2HH1  ARG  84          2HH1      ARG  84  -8.828   0.017   6.547
  614   1HH2  ARG  84          1HH2      ARG  84  -8.125  -1.448  10.207
  615   2HH2  ARG  84          2HH2      ARG  84  -9.840  -1.224   9.591
  616    H    GLN  85           H        GLN  85  -1.558   1.453  10.662
  617    HA   GLN  85           HA       GLN  85  -1.287   0.171  13.293
  618   1HB   GLN  85          1HB       GLN  85   1.161   1.534  12.218
  619   2HB   GLN  85          2HB       GLN  85   0.361   0.468  11.076
  620   1HG   GLN  85          1HG       GLN  85   1.188  -0.427  13.901
  621   2HG   GLN  85          2HG       GLN  85   2.222  -0.593  12.498
  622   1HE2  GLN  85          1HE2      GLN  85   0.022  -3.730  13.163
  623   2HE2  GLN  85          2HE2      GLN  85   0.863  -2.585  14.324
  624    H    MET  86           H        MET  86  -0.578   3.466  12.129
  625    HA   MET  86           HA       MET  86   0.661   4.651  14.413
  626   1HB   MET  86          1HB       MET  86  -1.319   6.398  12.937
  627   2HB   MET  86          2HB       MET  86  -0.070   5.632  11.972
  628   1HG   MET  86          1HG       MET  86   1.087   7.570  12.504
  629   2HG   MET  86          2HG       MET  86   1.558   6.630  13.928
  630   1HE   MET  86          1HE       MET  86   1.259   9.190  16.258
  631   2HE   MET  86          2HE       MET  86   0.368   7.734  16.790
  632   3HE   MET  86          3HE       MET  86   1.821   7.562  15.763
  633    H    LYS  87           H        LYS  87  -2.776   4.136  13.734
  634    HA   LYS  87           HA       LYS  87  -3.883   5.576  16.078
  635   1HB   LYS  87          1HB       LYS  87  -4.967   3.932  13.871
  636   2HB   LYS  87          2HB       LYS  87  -5.743   3.517  15.384
  637   1HG   LYS  87          1HG       LYS  87  -6.463   5.856  15.734
  638   2HG   LYS  87          2HG       LYS  87  -5.504   6.415  14.378
  639   1HD   LYS  87          1HD       LYS  87  -6.988   5.300  12.747
  640   2HD   LYS  87          2HD       LYS  87  -7.789   4.399  14.023
  641   1HE   LYS  87          1HE       LYS  87  -9.165   6.156  14.667
  642   2HE   LYS  87          2HE       LYS  87  -7.964   7.404  14.328
  643   1HZ   LYS  87          1HZ       LYS  87  -8.578   7.472  12.113
  644   2HZ   LYS  87          2HZ       LYS  87  -9.139   5.919  12.061
  645   3HZ   LYS  87          3HZ       LYS  87 -10.034   7.096  12.797
  646    H    GLU  88           H        GLU  88  -3.500   2.081  15.352
  647    HA   GLU  88           HA       GLU  88  -3.222   0.159  16.766
  648   1HB   GLU  88          1HB       GLU  88  -1.225   2.074  17.493
  649   2HB   GLU  88          2HB       GLU  88  -1.833   1.431  19.005
  650   1HG   GLU  88          1HG       GLU  88  -1.432  -0.960  17.969
  651   2HG   GLU  88          2HG       GLU  88  -0.546  -0.140  16.695
  652    H    ASP  89           H        ASP  89  -5.537   0.288  17.059
  653    HA   ASP  89           HA       ASP  89  -6.512   1.354  19.755
  654   1HB   ASP  89          1HB       ASP  89  -7.671   2.110  17.553
  655   2HB   ASP  89          2HB       ASP  89  -8.325   0.492  17.443
  656    H    ALA  90           H        ALA  90  -5.857  -0.264  21.066
  657    HA   ALA  90           HA       ALA  90  -5.923  -2.367  22.249
  658   1HB   ALA  90          1HB       ALA  90  -8.515  -1.682  21.993
  659   2HB   ALA  90          2HB       ALA  90  -8.567  -3.061  20.878
  660   3HB   ALA  90          3HB       ALA  90  -8.083  -3.310  22.573
   
  Start of MODEL          10
 Raw file had  660 H/Q atoms
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1 -23.707   7.580   7.493
    2   2H    ALA   1          2H        ALA   1 -22.078   7.327   7.826
    3   3H    ALA   1          3H        ALA   1 -22.716   6.856   6.343
    4    HA   ALA   1           HA       ALA   1 -23.755   5.779   8.874
    5   1HB   ALA   1          1HB       ALA   1 -23.975   3.793   6.934
    6   2HB   ALA   1          2HB       ALA   1 -25.251   4.963   7.321
    7   3HB   ALA   1          3HB       ALA   1 -24.165   5.256   5.938
    8    H    SER   2           H        SER   2 -21.780   4.566   6.151
    9    HA   SER   2           HA       SER   2 -19.346   3.990   7.799
   10   1HB   SER   2          1HB       SER   2 -19.599   1.409   7.352
   11   2HB   SER   2          2HB       SER   2 -20.399   2.145   8.742
   12    HG   SER   2           HG       SER   2 -22.308   2.137   7.661
   13    H    MET   3           H        MET   3 -17.639   3.160   6.534
   14    HA   MET   3           HA       MET   3 -16.267   2.898   4.569
   15   1HB   MET   3          1HB       MET   3 -18.751   1.992   3.037
   16   2HB   MET   3          2HB       MET   3 -18.088   0.992   4.317
   17   1HG   MET   3          1HG       MET   3 -15.763   1.418   2.901
   18   2HG   MET   3          2HG       MET   3 -16.937   1.601   1.589
   19   1HE   MET   3          1HE       MET   3 -18.711  -1.326   0.939
   20   2HE   MET   3          2HE       MET   3 -17.885   0.166   0.400
   21   3HE   MET   3          3HE       MET   3 -17.073  -1.416   0.218
   22    H    THR   4           H        THR   4 -16.581   5.351   4.972
   23    HA   THR   4           HA       THR   4 -17.849   6.854   2.691
   24    HB   THR   4           HB       THR   4 -16.650   8.874   3.799
   25    HG1  THR   4           HG1      THR   4 -15.552   7.036   5.171
   26   1HG2  THR   4          1HG2      THR   4 -18.371   9.188   5.537
   27   2HG2  THR   4          2HG2      THR   4 -19.138   8.532   4.074
   28   3HG2  THR   4          3HG2      THR   4 -18.837   7.475   5.477
   29    H    ASP   5           H        ASP   5 -15.443   4.858   2.556
   30    HA   ASP   5           HA       ASP   5 -13.773   4.597   0.811
   31   1HB   ASP   5          1HB       ASP   5 -13.558   7.596   0.344
   32   2HB   ASP   5          2HB       ASP   5 -13.177   6.272  -0.733
   33    H    GLN   6           H        GLN   6 -13.086   4.203   3.168
   34    HA   GLN   6           HA       GLN   6 -11.501   5.850   4.847
   35   1HB   GLN   6          1HB       GLN   6 -10.489   3.023   4.370
   36   2HB   GLN   6          2HB       GLN   6 -10.617   3.938   5.861
   37   1HG   GLN   6          1HG       GLN   6 -13.322   3.685   5.057
   38   2HG   GLN   6          2HG       GLN   6 -12.624   2.156   4.564
   39   1HE2  GLN   6          1HE2      GLN   6 -13.367   1.165   7.958
   40   2HE2  GLN   6          2HE2      GLN   6 -13.912   1.126   6.207
   41    H    GLN   7           H        GLN   7 -10.553   4.203   1.859
   42    HA   GLN   7           HA       GLN   7  -7.723   4.532   1.744
   43   1HB   GLN   7          1HB       GLN   7  -9.660   4.946  -0.612
   44   2HB   GLN   7          2HB       GLN   7  -7.925   4.722  -0.747
   45   1HG   GLN   7          1HG       GLN   7  -8.391   2.520  -1.029
   46   2HG   GLN   7          2HG       GLN   7  -8.551   2.454   0.714
   47   1HE2  GLN   7          1HE2      GLN   7 -11.714   0.922  -0.386
   48   2HE2  GLN   7          2HE2      GLN   7  -9.938   0.560  -0.096
   49    H    ALA   8           H        ALA   8 -10.138   6.872   0.487
   50    HA   ALA   8           HA       ALA   8  -8.244   9.020  -0.096
   51   1HB   ALA   8          1HB       ALA   8 -10.531  10.430   0.009
   52   2HB   ALA   8          2HB       ALA   8 -10.193   9.298  -1.315
   53   3HB   ALA   8          3HB       ALA   8 -11.271   8.812   0.019
   54    H    GLU   9           H        GLU   9 -10.161   8.172   2.739
   55    HA   GLU   9           HA       GLU   9 -10.060  10.620   4.310
   56   1HB   GLU   9          1HB       GLU   9 -11.254   8.231   4.729
   57   2HB   GLU   9          2HB       GLU   9  -9.857   7.974   5.756
   58   1HG   GLU   9          1HG       GLU   9 -11.234   8.913   7.355
   59   2HG   GLU   9          2HG       GLU   9 -10.566  10.416   6.743
   60    H    ALA  10           H        ALA  10  -7.729   8.039   3.743
   61    HA   ALA  10           HA       ALA  10  -5.827   8.541   5.880
   62   1HB   ALA  10          1HB       ALA  10  -4.209   7.230   4.515
   63   2HB   ALA  10          2HB       ALA  10  -5.802   6.451   4.556
   64   3HB   ALA  10          3HB       ALA  10  -5.279   7.329   3.096
   65    NH1  ARG  11           NH1      ARG  11  -7.395  13.448  -0.719
   66    NH2  ARG  11           NH2      ARG  11  -7.165  12.078  -2.516
   67    H    ARG  11           H        ARG  11  -5.778   9.602   2.462
   68    HA   ARG  11           HA       ARG  11  -3.288  11.059   2.371
   69   1HB   ARG  11          1HB       ARG  11  -5.797  11.954   0.842
   70   2HB   ARG  11          2HB       ARG  11  -4.913  10.492   0.426
   71   1HG   ARG  11          1HG       ARG  11  -2.928  12.590   0.652
   72   2HG   ARG  11          2HG       ARG  11  -3.395  11.659  -0.773
   73   1HD   ARG  11          1HD       ARG  11  -3.644  14.262  -0.914
   74   2HD   ARG  11          2HD       ARG  11  -5.026  14.104   0.168
   75    HE   ARG  11           HE       ARG  11  -4.927  13.187  -2.702
   76   1HH1  ARG  11          1HH1      ARG  11  -8.379  13.156  -0.722
   77   2HH1  ARG  11          2HH1      ARG  11  -6.950  14.101  -0.064
   78   1HH2  ARG  11          1HH2      ARG  11  -6.563  11.737  -3.274
   79   2HH2  ARG  11          2HH2      ARG  11  -8.144  11.822  -2.347
   80    H    ALA  12           H        ALA  12  -6.575  12.250   3.107
   81    HA   ALA  12           HA       ALA  12  -6.149  15.026   3.516
   82   1HB   ALA  12          1HB       ALA  12  -8.102  15.021   5.055
   83   2HB   ALA  12          2HB       ALA  12  -8.400  13.999   3.634
   84   3HB   ALA  12          3HB       ALA  12  -8.020  13.248   5.204
   85    H    PHE  13           H        PHE  13  -6.140  12.608   6.166
   86    HA   PHE  13           HA       PHE  13  -5.158  14.230   8.323
   87   1HB   PHE  13          1HB       PHE  13  -5.842  12.216   9.162
   88   2HB   PHE  13          2HB       PHE  13  -5.332  11.300   7.769
   89    HD1  PHE  13           HD1      PHE  13  -2.521  11.245   7.549
   90    HD2  PHE  13           HD2      PHE  13  -4.749  11.765  11.196
   91    HE1  PHE  13           HE1      PHE  13  -0.654  10.293   8.840
   92    HE2  PHE  13           HE2      PHE  13  -2.929  10.681  12.447
   93    HZ   PHE  13           HZ       PHE  13  -0.881   9.946  11.276
   94    H    LEU  14           H        LEU  14  -3.463  12.573   5.713
   95    HA   LEU  14           HA       LEU  14  -0.702  13.065   6.748
   96   1HB   LEU  14          1HB       LEU  14  -1.429  12.225   3.889
   97   2HB   LEU  14          2HB       LEU  14   0.100  12.005   4.714
   98    HG   LEU  14           HG       LEU  14  -2.307  10.664   5.985
   99   1HD1  LEU  14          1HD1      LEU  14   0.552   9.627   5.469
  100   2HD1  LEU  14          2HD1      LEU  14   0.052  10.481   6.940
  101   3HD1  LEU  14          3HD1      LEU  14  -0.672   8.902   6.543
  102   1HD2  LEU  14          1HD2      LEU  14  -2.331   8.763   4.425
  103   2HD2  LEU  14          2HD2      LEU  14  -2.585  10.241   3.464
  104   3HD2  LEU  14          3HD2      LEU  14  -0.999   9.456   3.465
  105    H    SER  15           H        SER  15   0.780  14.511   5.949
  106    HA   SER  15           HA       SER  15  -0.237  17.088   4.793
  107   1HB   SER  15          1HB       SER  15   1.714  18.068   5.540
  108   2HB   SER  15          2HB       SER  15   1.607  16.710   6.663
  109    HG   SER  15           HG       SER  15   3.649  17.136   5.505
  110    H    GLU  16           H        GLU  16   0.706  18.071   2.916
  111    HA   GLU  16           HA       GLU  16   0.668  16.336   0.537
  112   1HB   GLU  16          1HB       GLU  16   0.129  18.982   0.929
  113   2HB   GLU  16          2HB       GLU  16   1.746  19.136   0.271
  114   1HG   GLU  16          1HG       GLU  16   0.334  19.316  -1.636
  115   2HG   GLU  16          2HG       GLU  16   0.947  17.674  -1.738
  116    H    GLU  17           H        GLU  17   3.176  17.858   2.468
  117    HA   GLU  17           HA       GLU  17   5.428  17.422   0.566
  118   1HB   GLU  17          1HB       GLU  17   5.697  19.247   2.081
  119   2HB   GLU  17          2HB       GLU  17   5.373  18.264   3.495
  120   1HG   GLU  17          1HG       GLU  17   7.792  17.454   1.847
  121   2HG   GLU  17          2HG       GLU  17   7.894  19.003   2.667
  122    H    MET  18           H        MET  18   3.973  15.673   3.251
  123    HA   MET  18           HA       MET  18   6.120  13.697   3.716
  124   1HB   MET  18          1HB       MET  18   4.640  13.972   5.548
  125   2HB   MET  18          2HB       MET  18   3.198  13.862   4.555
  126   1HG   MET  18          1HG       MET  18   3.282  11.472   4.424
  127   2HG   MET  18          2HG       MET  18   5.008  11.405   4.815
  128   1HE   MET  18          1HE       MET  18   5.246  12.147   8.605
  129   2HE   MET  18          2HE       MET  18   5.847  10.914   7.458
  130   3HE   MET  18          3HE       MET  18   5.928  12.647   7.026
  131    H    ILE  19           H        ILE  19   3.269  13.883   1.650
  132    HA   ILE  19           HA       ILE  19   3.114  11.098   0.749
  133    HB   ILE  19           HB       ILE  19   2.224  13.564  -0.831
  134   1HG1  ILE  19          1HG1      ILE  19   1.148  12.555   1.683
  135   2HG1  ILE  19          2HG1      ILE  19   0.588  13.899   0.711
  136   1HG2  ILE  19          1HG2      ILE  19   0.666  12.000  -2.014
  137   2HG2  ILE  19          2HG2      ILE  19   2.337  11.486  -2.242
  138   3HG2  ILE  19          3HG2      ILE  19   1.302  10.623  -1.081
  139   1HD1  ILE  19          1HD1      ILE  19  -0.382  11.001   0.372
  140   2HD1  ILE  19          2HD1      ILE  19  -1.280  12.378   1.042
  141   3HD1  ILE  19          3HD1      ILE  19  -0.850  12.361  -0.685
  142    H    ALA  20           H        ALA  20   4.863  13.961  -0.423
  143    HA   ALA  20           HA       ALA  20   5.915  13.052  -2.920
  144   1HB   ALA  20          1HB       ALA  20   7.264  14.923  -2.880
  145   2HB   ALA  20          2HB       ALA  20   6.165  15.372  -1.561
  146   3HB   ALA  20          3HB       ALA  20   7.776  14.708  -1.189
  147    H    GLU  21           H        GLU  21   7.168  12.541   0.372
  148    HA   GLU  21           HA       GLU  21   9.686  11.205  -0.423
  149   1HB   GLU  21          1HB       GLU  21   8.970  12.438   1.854
  150   2HB   GLU  21          2HB       GLU  21   8.521  10.818   2.347
  151   1HG   GLU  21          1HG       GLU  21  11.142  12.026   2.369
  152   2HG   GLU  21          2HG       GLU  21  11.221  10.758   1.157
  153    H    PHE  22           H        PHE  22   6.446  10.165   0.507
  154    HA   PHE  22           HA       PHE  22   6.854   7.333   0.964
  155   1HB   PHE  22          1HB       PHE  22   4.344   7.227  -0.032
  156   2HB   PHE  22          2HB       PHE  22   4.436   8.964   0.085
  157    HD1  PHE  22           HD1      PHE  22   4.425   5.781   2.035
  158    HD2  PHE  22           HD2      PHE  22   4.521  10.074   2.333
  159    HE1  PHE  22           HE1      PHE  22   3.855   5.639   4.424
  160    HE2  PHE  22           HE2      PHE  22   4.053   9.905   4.743
  161    HZ   PHE  22           HZ       PHE  22   3.677   7.696   5.784
  162    H    LYS  23           H        LYS  23   5.928   9.064  -2.022
  163    HA   LYS  23           HA       LYS  23   5.830   6.867  -3.885
  164   1HB   LYS  23          1HB       LYS  23   6.812   9.694  -4.594
  165   2HB   LYS  23          2HB       LYS  23   5.124   9.305  -4.334
  166   1HG   LYS  23          1HG       LYS  23   5.220   9.152  -6.639
  167   2HG   LYS  23          2HG       LYS  23   6.912   8.693  -6.671
  168   1HD   LYS  23          1HD       LYS  23   4.726   6.710  -5.775
  169   2HD   LYS  23          2HD       LYS  23   6.399   6.361  -6.177
  170   1HE   LYS  23          1HE       LYS  23   5.308   5.653  -8.134
  171   2HE   LYS  23          2HE       LYS  23   4.093   6.932  -8.084
  172   1HZ   LYS  23          1HZ       LYS  23   6.039   7.040  -9.780
  173   2HZ   LYS  23          2HZ       LYS  23   5.556   8.436  -9.040
  174   3HZ   LYS  23          3HZ       LYS  23   6.923   7.661  -8.530
  175    H    ALA  24           H        ALA  24   8.549   8.722  -2.617
  176    HA   ALA  24           HA       ALA  24  10.706   8.161  -4.364
  177   1HB   ALA  24          1HB       ALA  24  12.230   8.395  -2.413
  178   2HB   ALA  24          2HB       ALA  24  10.945   9.617  -2.373
  179   3HB   ALA  24          3HB       ALA  24  10.866   8.208  -1.285
  180    H    ALA  25           H        ALA  25  10.123   6.245  -1.397
  181    HA   ALA  25           HA       ALA  25  11.883   4.024  -2.109
  182   1HB   ALA  25          1HB       ALA  25  10.901   2.857  -0.143
  183   2HB   ALA  25          2HB       ALA  25  11.306   4.539   0.244
  184   3HB   ALA  25          3HB       ALA  25   9.608   4.074  -0.027
  185    H    PHE  26           H        PHE  26   8.450   4.636  -2.587
  186    HA   PHE  26           HA       PHE  26   7.441   2.010  -3.228
  187   1HB   PHE  26          1HB       PHE  26   6.065   4.133  -2.891
  188   2HB   PHE  26          2HB       PHE  26   6.497   4.650  -4.500
  189    HD1  PHE  26           HD1      PHE  26   4.238   2.592  -2.521
  190    HD2  PHE  26           HD2      PHE  26   5.777   3.095  -6.507
  191    HE1  PHE  26           HE1      PHE  26   2.341   1.312  -3.427
  192    HE2  PHE  26           HE2      PHE  26   3.849   1.852  -7.398
  193    HZ   PHE  26           HZ       PHE  26   2.152   0.924  -5.861
  194    H    ASP  27           H        ASP  27   9.282   4.336  -5.129
  195    HA   ASP  27           HA       ASP  27   8.916   3.016  -7.763
  196   1HB   ASP  27          1HB       ASP  27   9.462   5.521  -7.375
  197   2HB   ASP  27          2HB       ASP  27  11.117   5.036  -7.085
  198    H    MET  28           H        MET  28  11.261   2.892  -5.148
  199    HA   MET  28           HA       MET  28  13.561   1.699  -6.369
  200   1HB   MET  28          1HB       MET  28  12.446   1.344  -3.546
  201   2HB   MET  28          2HB       MET  28  13.849   0.431  -4.070
  202   1HG   MET  28          1HG       MET  28  14.735   2.916  -4.814
  203   2HG   MET  28          2HG       MET  28  13.604   3.406  -3.543
  204   1HE   MET  28          1HE       MET  28  17.288   3.357  -3.484
  205   2HE   MET  28          2HE       MET  28  15.982   4.415  -2.874
  206   3HE   MET  28          3HE       MET  28  17.062   3.580  -1.720
  207    H    PHE  29           H        PHE  29  10.557   0.184  -5.248
  208    HA   PHE  29           HA       PHE  29  11.407  -2.594  -6.153
  209   1HB   PHE  29          1HB       PHE  29   8.796  -1.658  -4.798
  210   2HB   PHE  29          2HB       PHE  29   9.107  -3.294  -5.309
  211    HD1  PHE  29           HD1      PHE  29  11.257  -4.506  -4.314
  212    HD2  PHE  29           HD2      PHE  29   9.496  -0.986  -2.569
  213    HE1  PHE  29           HE1      PHE  29  12.300  -5.042  -2.151
  214    HE2  PHE  29           HE2      PHE  29  10.551  -1.541  -0.416
  215    HZ   PHE  29           HZ       PHE  29  11.954  -3.561  -0.203
  216    H    ASP  30           H        ASP  30   9.221   0.057  -6.959
  217    HA   ASP  30           HA       ASP  30   7.828  -1.387  -9.182
  218   1HB   ASP  30          1HB       ASP  30   7.707   1.638  -8.722
  219   2HB   ASP  30          2HB       ASP  30   6.823   0.521  -7.708
  220    H    ALA  31           H        ALA  31   9.481  -2.047 -10.512
  221    HA   ALA  31           HA       ALA  31  11.606  -0.361 -11.640
  222   1HB   ALA  31          1HB       ALA  31  11.989  -2.258 -13.219
  223   2HB   ALA  31          2HB       ALA  31  11.814  -2.821 -11.545
  224   3HB   ALA  31          3HB       ALA  31  10.473  -3.033 -12.701
  225    H    ASP  32           H        ASP  32   8.946  -1.894 -13.452
  226    HA   ASP  32           HA       ASP  32   8.294   0.706 -14.891
  227   1HB   ASP  32          1HB       ASP  32   9.285  -1.811 -16.308
  228   2HB   ASP  32          2HB       ASP  32   8.165  -0.732 -17.106
  229    H    GLY  33           H        GLY  33   6.191   0.893 -15.416
  230   1HA   GLY  33          1HA       GLY  33   4.023  -0.887 -15.814
  231   2HA   GLY  33          2HA       GLY  33   4.279  -0.996 -14.069
  232    H    GLY  34           H        GLY  34   4.187   0.959 -12.794
  233   1HA   GLY  34          1HA       GLY  34   1.930   2.782 -13.451
  234   2HA   GLY  34          2HA       GLY  34   3.479   3.609 -13.673
  235    H    GLY  35           H        GLY  35   1.909   1.459 -11.295
  236   1HA   GLY  35          1HA       GLY  35   2.214   3.208  -8.915
  237   2HA   GLY  35          2HA       GLY  35   3.613   2.114  -9.060
  238    H    ASP  36           H        ASP  36   3.452  -0.009  -8.732
  239    HA   ASP  36           HA       ASP  36   1.323  -0.965  -6.915
  240   1HB   ASP  36          1HB       ASP  36   0.504  -2.921  -8.276
  241   2HB   ASP  36          2HB       ASP  36  -0.074  -1.357  -8.802
  242    H    ILE  37           H        ILE  37   1.867  -2.941  -5.946
  243    HA   ILE  37           HA       ILE  37   4.435  -4.390  -6.687
  244    HB   ILE  37           HB       ILE  37   4.860  -4.123  -3.971
  245   1HG1  ILE  37          1HG1      ILE  37   3.122  -1.962  -4.388
  246   2HG1  ILE  37          2HG1      ILE  37   4.670  -1.198  -4.678
  247   1HG2  ILE  37          1HG2      ILE  37   6.894  -2.827  -4.622
  248   2HG2  ILE  37          2HG2      ILE  37   6.586  -4.112  -5.799
  249   3HG2  ILE  37          3HG2      ILE  37   6.178  -2.428  -6.202
  250   1HD1  ILE  37          1HD1      ILE  37   5.527  -1.798  -2.434
  251   2HD1  ILE  37          2HD1      ILE  37   3.968  -0.954  -2.305
  252   3HD1  ILE  37          3HD1      ILE  37   4.038  -2.717  -2.083
  253    H    SER  38           H        SER  38   4.645  -6.354  -5.351
  254    HA   SER  38           HA       SER  38   2.109  -7.872  -5.075
  255   1HB   SER  38          1HB       SER  38   4.604  -8.694  -5.588
  256   2HB   SER  38          2HB       SER  38   4.693  -8.868  -3.833
  257    HG   SER  38           HG       SER  38   3.871 -10.718  -4.476
  258    H    THR  39           H        THR  39   1.405  -8.872  -3.096
  259    HA   THR  39           HA       THR  39   1.179  -6.952  -0.816
  260    HB   THR  39           HB       THR  39  -0.286  -8.735   0.243
  261    HG1  THR  39           HG1      THR  39  -0.621  -9.982  -2.160
  262   1HG2  THR  39          1HG2      THR  39  -2.233  -8.380  -1.211
  263   2HG2  THR  39          2HG2      THR  39  -1.300  -6.868  -1.132
  264   3HG2  THR  39          3HG2      THR  39  -1.202  -7.904  -2.580
  265    H    LYS  40           H        LYS  40   2.896  -9.926  -1.566
  266    HA   LYS  40           HA       LYS  40   3.666 -10.762   1.128
  267   1HB   LYS  40          1HB       LYS  40   4.541 -11.446  -1.666
  268   2HB   LYS  40          2HB       LYS  40   4.040 -12.497  -0.358
  269   1HG   LYS  40          1HG       LYS  40   6.785 -11.458  -1.065
  270   2HG   LYS  40          2HG       LYS  40   6.468 -11.627   0.650
  271   1HD   LYS  40          1HD       LYS  40   7.302 -13.764   0.265
  272   2HD   LYS  40          2HD       LYS  40   5.605 -14.078  -0.061
  273   1HE   LYS  40          1HE       LYS  40   6.567 -15.089  -1.935
  274   2HE   LYS  40          2HE       LYS  40   6.196 -13.499  -2.604
  275   1HZ   LYS  40          1HZ       LYS  40   8.836 -13.878  -1.354
  276   2HZ   LYS  40          2HZ       LYS  40   8.570 -14.567  -2.832
  277   3HZ   LYS  40          3HZ       LYS  40   8.412 -12.933  -2.641
  278    H    GLU  41           H        GLU  41   5.025  -8.496  -1.204
  279    HA   GLU  41           HA       GLU  41   7.530  -8.004   0.403
  280   1HB   GLU  41          1HB       GLU  41   6.649  -7.441  -2.382
  281   2HB   GLU  41          2HB       GLU  41   7.558  -6.125  -1.665
  282   1HG   GLU  41          1HG       GLU  41   9.542  -7.477  -1.373
  283   2HG   GLU  41          2HG       GLU  41   8.941  -7.827  -2.984
  284    H    LEU  42           H        LEU  42   4.530  -6.363  -0.519
  285    HA   LEU  42           HA       LEU  42   4.736  -3.722   0.263
  286   1HB   LEU  42          1HB       LEU  42   2.517  -5.699   0.317
  287   2HB   LEU  42          2HB       LEU  42   2.581  -4.087  -0.367
  288    HG   LEU  42           HG       LEU  42   2.307  -4.491   2.666
  289   1HD1  LEU  42          1HD1      LEU  42  -0.072  -4.255   0.717
  290   2HD1  LEU  42          2HD1      LEU  42   0.457  -5.782   1.441
  291   3HD1  LEU  42          3HD1      LEU  42  -0.142  -4.469   2.485
  292   1HD2  LEU  42          1HD2      LEU  42   1.341  -2.219   2.661
  293   2HD2  LEU  42          2HD2      LEU  42   2.885  -2.165   1.775
  294   3HD2  LEU  42          3HD2      LEU  42   1.355  -2.160   0.879
  295    H    GLY  43           H        GLY  43   4.344  -6.487   2.467
  296   1HA   GLY  43          1HA       GLY  43   4.294  -5.314   5.085
  297   2HA   GLY  43          2HA       GLY  43   5.130  -6.828   4.724
  298    H    THR  44           H        THR  44   7.297  -6.588   3.644
  299    HA   THR  44           HA       THR  44   9.267  -5.507   5.244
  300    HB   THR  44           HB       THR  44   9.347  -5.976   2.245
  301    HG1  THR  44           HG1      THR  44  10.399  -7.736   2.855
  302   1HG2  THR  44          1HG2      THR  44  11.840  -5.789   2.294
  303   2HG2  THR  44          2HG2      THR  44  11.073  -4.212   2.577
  304   3HG2  THR  44          3HG2      THR  44  11.772  -5.119   3.943
  305    H    VAL  45           H        VAL  45   7.432  -3.773   2.802
  306    HA   VAL  45           HA       VAL  45   9.078  -1.370   2.537
  307    HB   VAL  45           HB       VAL  45   6.054  -1.526   2.083
  308   1HG1  VAL  45          1HG1      VAL  45   8.243  -2.002  -0.035
  309   2HG1  VAL  45          2HG1      VAL  45   7.376  -3.312   0.777
  310   3HG1  VAL  45          3HG1      VAL  45   6.478  -2.158  -0.236
  311   1HG2  VAL  45          1HG2      VAL  45   6.288   0.372   0.568
  312   2HG2  VAL  45          2HG2      VAL  45   7.081   0.847   2.088
  313   3HG2  VAL  45          3HG2      VAL  45   8.066   0.360   0.701
  314    H    MET  46           H        MET  46   6.093  -1.982   4.426
  315    HA   MET  46           HA       MET  46   5.911   0.543   5.817
  316   1HB   MET  46          1HB       MET  46   4.342  -0.468   7.330
  317   2HB   MET  46          2HB       MET  46   5.029  -2.070   7.136
  318   1HG   MET  46          1HG       MET  46   4.234  -1.559   4.506
  319   2HG   MET  46          2HG       MET  46   3.014  -0.657   5.418
  320   1HE   MET  46          1HE       MET  46   1.334  -1.492   6.974
  321   2HE   MET  46          2HE       MET  46   0.984  -3.200   7.371
  322   3HE   MET  46          3HE       MET  46   2.339  -2.358   8.178
  323    NH1  ARG  47           NH1      ARG  47  11.772  -7.719  10.593
  324    NH2  ARG  47           NH2      ARG  47  13.565  -6.857   9.496
  325    H    ARG  47           H        ARG  47   7.754  -2.380   6.508
  326    HA   ARG  47           HA       ARG  47   8.517  -1.847   9.301
  327   1HB   ARG  47          1HB       ARG  47   8.710  -4.074   7.827
  328   2HB   ARG  47          2HB       ARG  47  10.297  -3.443   7.413
  329   1HG   ARG  47          1HG       ARG  47   9.531  -3.590  10.363
  330   2HG   ARG  47          2HG       ARG  47  11.139  -3.590   9.634
  331   1HD   ARG  47          1HD       ARG  47   9.295  -5.913   8.924
  332   2HD   ARG  47          2HD       ARG  47   9.959  -5.879  10.556
  333    HE   ARG  47           HE       ARG  47  11.738  -5.845   8.062
  334   1HH1  ARG  47          1HH1      ARG  47  14.110  -7.576   9.984
  335   2HH1  ARG  47          2HH1      ARG  47  13.925  -6.140   8.857
  336   1HH2  ARG  47          1HH2      ARG  47  10.775  -7.636  10.819
  337   2HH2  ARG  47          2HH2      ARG  47  12.436  -8.401  10.978
  338    H    MET  48           H        MET  48  10.192  -1.306   6.192
  339    HA   MET  48           HA       MET  48  12.590  -0.076   7.490
  340   1HB   MET  48          1HB       MET  48  13.129   0.491   4.922
  341   2HB   MET  48          2HB       MET  48  11.802  -0.605   4.585
  342   1HG   MET  48          1HG       MET  48  13.007  -2.437   5.905
  343   2HG   MET  48          2HG       MET  48  14.369  -1.328   6.130
  344   1HE   MET  48          1HE       MET  48  16.011  -0.608   4.570
  345   2HE   MET  48          2HE       MET  48  16.213  -1.133   2.873
  346   3HE   MET  48          3HE       MET  48  15.063   0.178   3.269
  347    H    LEU  49           H        LEU  49   9.534   1.050   6.566
  348    HA   LEU  49           HA       LEU  49  10.264   3.949   6.133
  349   1HB   LEU  49          1HB       LEU  49   7.603   2.473   6.458
  350   2HB   LEU  49          2HB       LEU  49   7.672   4.217   6.583
  351    HG   LEU  49           HG       LEU  49   8.215   2.466   4.135
  352   1HD1  LEU  49          1HD1      LEU  49   9.000   5.445   4.290
  353   2HD1  LEU  49          2HD1      LEU  49  10.160   4.104   4.334
  354   3HD1  LEU  49          3HD1      LEU  49   9.165   4.367   2.881
  355   1HD2  LEU  49          1HD2      LEU  49   6.522   3.879   3.045
  356   2HD2  LEU  49          2HD2      LEU  49   5.859   3.382   4.622
  357   3HD2  LEU  49          3HD2      LEU  49   6.502   5.018   4.415
  358    H    GLY  50           H        GLY  50   9.223   1.738   8.674
  359   1HA   GLY  50          1HA       GLY  50   9.719   3.858  10.853
  360   2HA   GLY  50          2HA       GLY  50  10.547   2.288  10.884
  361    H    GLN  51           H        GLN  51   9.512   0.462  11.461
  362    HA   GLN  51           HA       GLN  51   7.024   0.741  13.156
  363   1HB   GLN  51          1HB       GLN  51   6.974  -0.805  10.524
  364   2HB   GLN  51          2HB       GLN  51   6.055  -1.395  11.897
  365   1HG   GLN  51          1HG       GLN  51   5.714   1.326  10.511
  366   2HG   GLN  51          2HG       GLN  51   4.609  -0.032  10.446
  367   1HE2  GLN  51          1HE2      GLN  51   3.735   2.669  13.156
  368   2HE2  GLN  51          2HE2      GLN  51   4.239   2.778  11.395
  369    H    ASN  52           H        ASN  52   6.475  -1.795  13.704
  370    HA   ASN  52           HA       ASN  52   8.924  -3.510  13.950
  371   1HB   ASN  52          1HB       ASN  52   9.495  -2.448  15.893
  372   2HB   ASN  52          2HB       ASN  52   8.453  -3.681  16.572
  373   1HD2  ASN  52          1HD2      ASN  52   5.826  -0.743  16.597
  374   2HD2  ASN  52          2HD2      ASN  52   5.954  -2.289  15.616
  375    HA   PRO  53           HA       PRO  53   4.598  -5.696  14.116
  376   1HB   PRO  53          1HB       PRO  53   4.159  -6.531  11.540
  377   2HB   PRO  53          2HB       PRO  53   3.847  -4.879  12.093
  378   1HG   PRO  53          1HG       PRO  53   5.288  -4.367  10.317
  379   2HG   PRO  53          2HG       PRO  53   6.243  -5.861  10.460
  380   1HD   PRO  53          1HD       PRO  53   7.748  -4.510  11.689
  381   2HD   PRO  53          2HD       PRO  53   6.515  -3.234  11.928
  382    H    THR  54           H        THR  54   4.263  -8.064  12.658
  383    HA   THR  54           HA       THR  54   6.745  -9.771  13.206
  384    HB   THR  54           HB       THR  54   5.701 -10.873  14.810
  385    HG1  THR  54           HG1      THR  54   5.132 -12.517  13.734
  386   1HG2  THR  54          1HG2      THR  54   3.349 -10.597  15.523
  387   2HG2  THR  54          2HG2      THR  54   4.075  -9.002  15.221
  388   3HG2  THR  54          3HG2      THR  54   2.954  -9.712  14.031
  389    H    LYS  55           H        LYS  55   6.640 -11.860  12.003
  390    HA   LYS  55           HA       LYS  55   6.130 -11.238   9.091
  391   1HB   LYS  55          1HB       LYS  55   7.238 -13.928   9.630
  392   2HB   LYS  55          2HB       LYS  55   8.146 -12.704  10.491
  393   1HG   LYS  55          1HG       LYS  55   8.966 -11.712   8.535
  394   2HG   LYS  55          2HG       LYS  55   7.555 -12.120   7.579
  395   1HD   LYS  55          1HD       LYS  55   9.935 -13.932   8.295
  396   2HD   LYS  55          2HD       LYS  55   8.399 -14.624   7.799
  397   1HE   LYS  55          1HE       LYS  55  10.341 -12.975   6.132
  398   2HE   LYS  55          2HE       LYS  55   9.571 -14.514   5.737
  399   1HZ   LYS  55          1HZ       LYS  55   7.409 -13.127   5.718
  400   2HZ   LYS  55          2HZ       LYS  55   8.389 -11.799   5.644
  401   3HZ   LYS  55          3HZ       LYS  55   8.455 -12.941   4.452
  402    H    GLU  56           H        GLU  56   5.056 -13.415  11.649
  403    HA   GLU  56           HA       GLU  56   3.388 -15.240  10.019
  404   1HB   GLU  56          1HB       GLU  56   3.408 -14.630  13.014
  405   2HB   GLU  56          2HB       GLU  56   2.248 -15.727  12.292
  406   1HG   GLU  56          1HG       GLU  56   5.188 -16.120  12.823
  407   2HG   GLU  56          2HG       GLU  56   3.864 -17.267  12.933
  408    H    GLU  57           H        GLU  57   2.944 -12.137  11.621
  409    HA   GLU  57           HA       GLU  57  -0.004 -11.948  11.313
  410   1HB   GLU  57          1HB       GLU  57   0.287  -9.521  11.882
  411   2HB   GLU  57          2HB       GLU  57   2.028  -9.710  11.822
  412   1HG   GLU  57          1HG       GLU  57   1.850 -11.438  13.729
  413   2HG   GLU  57          2HG       GLU  57   1.450  -9.781  14.150
  414    H    LEU  58           H        LEU  58   2.838 -10.925   9.468
  415    HA   LEU  58           HA       LEU  58   1.498  -9.296   7.403
  416   1HB   LEU  58          1HB       LEU  58   4.209 -10.260   7.936
  417   2HB   LEU  58          2HB       LEU  58   3.818 -10.590   6.261
  418    HG   LEU  58           HG       LEU  58   4.749  -8.474   6.045
  419   1HD1  LEU  58          1HD1      LEU  58   3.460  -7.462   8.657
  420   2HD1  LEU  58          2HD1      LEU  58   5.074  -8.183   8.581
  421   3HD1  LEU  58          3HD1      LEU  58   4.741  -6.669   7.706
  422   1HD2  LEU  58          1HD2      LEU  58   3.016  -6.761   5.637
  423   2HD2  LEU  58          2HD2      LEU  58   2.354  -8.346   5.164
  424   3HD2  LEU  58          3HD2      LEU  58   1.859  -7.606   6.697
  425    H    ASP  59           H        ASP  59   2.169 -12.723   7.856
  426    HA   ASP  59           HA       ASP  59   1.356 -13.750   5.250
  427   1HB   ASP  59          1HB       ASP  59   1.613 -15.031   7.993
  428   2HB   ASP  59          2HB       ASP  59   0.727 -15.895   6.757
  429    H    ALA  60           H        ALA  60  -0.442 -12.935   8.186
  430    HA   ALA  60           HA       ALA  60  -3.056 -14.028   7.438
  431   1HB   ALA  60          1HB       ALA  60  -3.958 -12.620   9.283
  432   2HB   ALA  60          2HB       ALA  60  -2.490 -13.481   9.784
  433   3HB   ALA  60          3HB       ALA  60  -2.416 -11.741   9.409
  434    H    ILE  61           H        ILE  61  -1.665 -10.744   7.197
  435    HA   ILE  61           HA       ILE  61  -3.800  -9.226   6.168
  436    HB   ILE  61           HB       ILE  61  -0.822  -8.982   5.606
  437   1HG1  ILE  61          1HG1      ILE  61  -2.163  -8.269   7.877
  438   2HG1  ILE  61          2HG1      ILE  61  -2.510  -6.826   6.949
  439   1HG2  ILE  61          1HG2      ILE  61  -1.215  -6.797   4.437
  440   2HG2  ILE  61          2HG2      ILE  61  -1.944  -8.125   3.536
  441   3HG2  ILE  61          3HG2      ILE  61  -2.976  -7.054   4.511
  442   1HD1  ILE  61          1HD1      ILE  61  -0.108  -6.288   6.657
  443   2HD1  ILE  61          2HD1      ILE  61  -0.496  -6.523   8.374
  444   3HD1  ILE  61          3HD1      ILE  61   0.354  -7.804   7.480
  445    H    ILE  62           H        ILE  62  -1.711 -11.580   4.588
  446    HA   ILE  62           HA       ILE  62  -2.286 -11.063   1.774
  447    HB   ILE  62           HB       ILE  62  -1.542 -13.728   3.084
  448   1HG1  ILE  62          1HG1      ILE  62   0.783 -13.276   2.329
  449   2HG1  ILE  62          2HG1      ILE  62   0.241 -12.032   3.436
  450   1HG2  ILE  62          1HG2      ILE  62  -0.876 -14.505   0.795
  451   2HG2  ILE  62          2HG2      ILE  62  -2.596 -14.123   0.837
  452   3HG2  ILE  62          3HG2      ILE  62  -1.460 -12.980   0.085
  453   1HD1  ILE  62          1HD1      ILE  62  -0.104 -10.388   1.614
  454   2HD1  ILE  62          2HD1      ILE  62   1.537 -11.064   1.546
  455   3HD1  ILE  62          3HD1      ILE  62   0.305 -11.622   0.391
  456    H    GLU  63           H        GLU  63  -3.729 -13.453   4.016
  457    HA   GLU  63           HA       GLU  63  -5.728 -14.594   2.336
  458   1HB   GLU  63          1HB       GLU  63  -5.447 -15.692   4.374
  459   2HB   GLU  63          2HB       GLU  63  -5.572 -14.234   5.337
  460   1HG   GLU  63          1HG       GLU  63  -7.991 -14.190   5.194
  461   2HG   GLU  63          2HG       GLU  63  -8.027 -15.281   3.819
  462    H    GLU  64           H        GLU  64  -5.740 -11.522   4.052
  463    HA   GLU  64           HA       GLU  64  -8.609 -10.901   3.771
  464   1HB   GLU  64          1HB       GLU  64  -6.882  -9.919   5.462
  465   2HB   GLU  64          2HB       GLU  64  -6.437  -8.798   4.190
  466   1HG   GLU  64          1HG       GLU  64  -9.140  -8.349   4.147
  467   2HG   GLU  64          2HG       GLU  64  -8.033  -7.469   5.188
  468    H    VAL  65           H        VAL  65  -5.680  -9.988   1.969
  469    HA   VAL  65           HA       VAL  65  -7.364  -8.571  -0.154
  470    HB   VAL  65           HB       VAL  65  -5.199  -7.579   1.217
  471   1HG1  VAL  65          1HG1      VAL  65  -5.950  -6.649  -1.632
  472   2HG1  VAL  65          2HG1      VAL  65  -6.951  -6.338  -0.202
  473   3HG1  VAL  65          3HG1      VAL  65  -5.309  -5.659  -0.297
  474   1HG2  VAL  65          1HG2      VAL  65  -3.213  -7.384  -0.189
  475   2HG2  VAL  65          2HG2      VAL  65  -3.579  -9.123  -0.077
  476   3HG2  VAL  65          3HG2      VAL  65  -3.992  -8.231  -1.548
  477    H    ASP  66           H        ASP  66  -6.803 -11.526   0.263
  478    HA   ASP  66           HA       ASP  66  -6.092 -12.178  -2.594
  479   1HB   ASP  66          1HB       ASP  66  -4.555 -13.758  -0.483
  480   2HB   ASP  66          2HB       ASP  66  -3.916 -12.245  -1.083
  481    H    GLU  67           H        GLU  67  -8.462 -12.160  -1.067
  482    HA   GLU  67           HA       GLU  67  -9.234 -15.000  -0.435
  483   1HB   GLU  67          1HB       GLU  67 -10.262 -13.352   0.955
  484   2HB   GLU  67          2HB       GLU  67 -10.775 -12.368  -0.402
  485   1HG   GLU  67          1HG       GLU  67 -12.648 -13.732  -0.886
  486   2HG   GLU  67          2HG       GLU  67 -11.908 -15.190  -0.248
  487    H    ASP  68           H        ASP  68  -9.548 -12.641  -3.032
  488    HA   ASP  68           HA       ASP  68 -10.809 -14.749  -4.855
  489   1HB   ASP  68          1HB       ASP  68 -12.326 -13.165  -5.876
  490   2HB   ASP  68          2HB       ASP  68 -11.629 -11.808  -5.022
  491    H    GLY  69           H        GLY  69  -9.067 -15.240  -6.022
  492   1HA   GLY  69          1HA       GLY  69  -8.193 -13.364  -8.173
  493   2HA   GLY  69          2HA       GLY  69  -7.639 -15.029  -7.968
  494    H    SER  70           H        SER  70  -5.954 -12.945  -8.659
  495    HA   SER  70           HA       SER  70  -3.720 -13.271  -6.756
  496   1HB   SER  70          1HB       SER  70  -3.779 -11.231  -9.034
  497   2HB   SER  70          2HB       SER  70  -3.604 -12.962  -9.332
  498    HG   SER  70           HG       SER  70  -1.679 -11.537  -8.960
  499    H    GLY  71           H        GLY  71  -2.709 -11.704  -5.492
  500   1HA   GLY  71          1HA       GLY  71  -4.505  -9.445  -4.458
  501   2HA   GLY  71          2HA       GLY  71  -3.209 -10.209  -3.533
  502    H    THR  72           H        THR  72  -4.054  -7.665  -5.598
  503    HA   THR  72           HA       THR  72  -1.161  -6.711  -5.768
  504    HB   THR  72           HB       THR  72  -3.199  -5.702  -7.767
  505    HG1  THR  72           HG1      THR  72  -1.550  -7.732  -8.562
  506   1HG2  THR  72          1HG2      THR  72  -1.036  -5.750  -9.273
  507   2HG2  THR  72          2HG2      THR  72  -1.225  -4.424  -8.104
  508   3HG2  THR  72          3HG2      THR  72  -0.136  -5.788  -7.741
  509    H    ILE  73           H        ILE  73  -0.800  -4.517  -5.355
  510    HA   ILE  73           HA       ILE  73  -3.049  -2.964  -4.043
  511    HB   ILE  73           HB       ILE  73  -1.890  -4.201  -2.259
  512   1HG1  ILE  73          1HG1      ILE  73  -3.083  -2.186  -1.644
  513   2HG1  ILE  73          2HG1      ILE  73  -1.774  -1.147  -2.179
  514   1HG2  ILE  73          1HG2      ILE  73   0.389  -3.699  -1.458
  515   2HG2  ILE  73          2HG2      ILE  73   0.481  -4.245  -3.139
  516   3HG2  ILE  73          3HG2      ILE  73   0.646  -2.514  -2.759
  517   1HD1  ILE  73          1HD1      ILE  73  -0.318  -2.349  -0.278
  518   2HD1  ILE  73          2HD1      ILE  73  -1.476  -1.067   0.139
  519   3HD1  ILE  73          3HD1      ILE  73  -1.918  -2.773   0.392
  520    H    ASP  74           H        ASP  74  -2.863  -0.746  -4.131
  521    HA   ASP  74           HA       ASP  74  -0.779   0.360  -6.084
  522   1HB   ASP  74          1HB       ASP  74  -2.387   2.088  -6.737
  523   2HB   ASP  74          2HB       ASP  74  -3.038   0.487  -7.004
  524    H    PHE  75           H        PHE  75  -1.048   3.014  -5.659
  525    HA   PHE  75           HA       PHE  75   0.625   3.422  -3.245
  526   1HB   PHE  75          1HB       PHE  75   0.864   4.636  -5.505
  527   2HB   PHE  75          2HB       PHE  75  -0.535   5.591  -5.093
  528    HD1  PHE  75           HD1      PHE  75   0.592   5.395  -1.911
  529    HD2  PHE  75           HD2      PHE  75   2.077   6.876  -5.669
  530    HE1  PHE  75           HE1      PHE  75   1.971   7.054  -0.725
  531    HE2  PHE  75           HE2      PHE  75   3.509   8.474  -4.460
  532    HZ   PHE  75           HZ       PHE  75   3.453   8.572  -1.993
  533    H    GLU  76           H        GLU  76  -2.719   4.005  -4.183
  534    HA   GLU  76           HA       GLU  76  -3.526   5.832  -2.052
  535   1HB   GLU  76          1HB       GLU  76  -5.334   3.882  -3.576
  536   2HB   GLU  76          2HB       GLU  76  -5.867   5.249  -2.618
  537   1HG   GLU  76          1HG       GLU  76  -4.488   6.764  -4.261
  538   2HG   GLU  76          2HG       GLU  76  -4.304   5.338  -5.269
  539    H    GLU  77           H        GLU  77  -4.075   2.319  -2.423
  540    HA   GLU  77           HA       GLU  77  -5.147   1.804   0.270
  541   1HB   GLU  77          1HB       GLU  77  -4.192  -0.649  -0.334
  542   2HB   GLU  77          2HB       GLU  77  -4.089   0.037  -1.943
  543   1HG   GLU  77          1HG       GLU  77  -6.603  -0.396  -0.234
  544   2HG   GLU  77          2HG       GLU  77  -6.634   0.740  -1.572
  545    H    PHE  78           H        PHE  78  -1.920   2.005  -1.108
  546    HA   PHE  78           HA       PHE  78  -0.356   0.767   1.005
  547   1HB   PHE  78          1HB       PHE  78   0.777   1.117  -1.050
  548   2HB   PHE  78          2HB       PHE  78   0.320   2.796  -1.170
  549    HD1  PHE  78           HD1      PHE  78   2.929   0.519  -0.197
  550    HD2  PHE  78           HD2      PHE  78   1.357   4.416   0.729
  551    HE1  PHE  78           HE1      PHE  78   5.094   1.174   0.776
  552    HE2  PHE  78           HE2      PHE  78   3.534   5.059   1.678
  553    HZ   PHE  78           HZ       PHE  78   5.386   3.425   1.754
  554    H    LEU  79           H        LEU  79  -1.693   4.006   0.604
  555    HA   LEU  79           HA       LEU  79  -0.358   5.186   3.013
  556   1HB   LEU  79          1HB       LEU  79  -2.673   6.289   1.312
  557   2HB   LEU  79          2HB       LEU  79  -1.845   7.171   2.577
  558    HG   LEU  79           HG       LEU  79  -0.243   6.068   0.210
  559   1HD1  LEU  79          1HD1      LEU  79  -0.620   8.200  -1.037
  560   2HD1  LEU  79          2HD1      LEU  79  -2.149   7.330  -0.814
  561   3HD1  LEU  79          3HD1      LEU  79  -1.782   8.749   0.198
  562   1HD2  LEU  79          1HD2      LEU  79   0.177   8.532   2.032
  563   2HD2  LEU  79          2HD2      LEU  79   1.088   7.004   2.105
  564   3HD2  LEU  79          3HD2      LEU  79   1.236   8.047   0.683
  565    H    VAL  80           H        VAL  80  -3.452   3.733   2.157
  566    HA   VAL  80           HA       VAL  80  -5.046   4.250   4.534
  567    HB   VAL  80           HB       VAL  80  -5.475   2.787   2.230
  568   1HG1  VAL  80          1HG1      VAL  80  -7.278   2.566   4.720
  569   2HG1  VAL  80          2HG1      VAL  80  -7.176   4.028   3.730
  570   3HG1  VAL  80          3HG1      VAL  80  -7.765   2.514   3.005
  571   1HG2  VAL  80          1HG2      VAL  80  -6.090   0.479   2.776
  572   2HG2  VAL  80          2HG2      VAL  80  -4.391   0.690   3.259
  573   3HG2  VAL  80          3HG2      VAL  80  -5.662   0.695   4.491
  574    H    MET  81           H        MET  81  -2.472   1.941   3.808
  575    HA   MET  81           HA       MET  81  -2.488   0.295   6.184
  576   1HB   MET  81          1HB       MET  81   0.281   0.596   5.473
  577   2HB   MET  81          2HB       MET  81  -0.600   0.831   3.970
  578   1HG   MET  81          1HG       MET  81  -0.901  -1.607   5.824
  579   2HG   MET  81          2HG       MET  81   0.027  -1.562   4.304
  580   1HE   MET  81          1HE       MET  81  -4.068  -3.012   4.746
  581   2HE   MET  81          2HE       MET  81  -2.557  -3.889   4.365
  582   3HE   MET  81          3HE       MET  81  -2.667  -2.913   5.858
  583    H    MET  82           H        MET  82   0.118   2.642   5.664
  584    HA   MET  82           HA       MET  82   1.086   2.997   8.268
  585   1HB   MET  82          1HB       MET  82   1.060   4.768   5.849
  586   2HB   MET  82          2HB       MET  82   1.254   5.637   7.360
  587   1HG   MET  82          1HG       MET  82   3.496   5.224   6.926
  588   2HG   MET  82          2HG       MET  82   3.151   3.743   7.833
  589   1HE   MET  82          1HE       MET  82   2.302   1.098   5.573
  590   2HE   MET  82          2HE       MET  82   4.036   1.052   6.012
  591   3HE   MET  82          3HE       MET  82   2.834   1.655   7.191
  592    H    VAL  83           H        VAL  83  -1.888   4.302   6.940
  593    HA   VAL  83           HA       VAL  83  -2.548   6.259   9.000
  594    HB   VAL  83           HB       VAL  83  -4.178   4.830   6.899
  595   1HG1  VAL  83          1HG1      VAL  83  -6.295   5.933   7.651
  596   2HG1  VAL  83          2HG1      VAL  83  -5.736   4.766   8.858
  597   3HG1  VAL  83          3HG1      VAL  83  -5.493   6.506   9.137
  598   1HG2  VAL  83          1HG2      VAL  83  -3.816   7.832   7.544
  599   2HG2  VAL  83          2HG2      VAL  83  -2.981   6.939   6.252
  600   3HG2  VAL  83          3HG2      VAL  83  -4.735   7.161   6.172
  601    NH1  ARG  84           NH1      ARG  84  -9.430   0.563   8.802
  602    NH2  ARG  84           NH2      ARG  84  -9.681  -0.900   7.081
  603    H    ARG  84           H        ARG  84  -3.757   2.906   8.566
  604    HA   ARG  84           HA       ARG  84  -5.186   2.604  11.074
  605   1HB   ARG  84          1HB       ARG  84  -3.893   0.538   9.214
  606   2HB   ARG  84          2HB       ARG  84  -4.669   0.059  10.718
  607   1HG   ARG  84          1HG       ARG  84  -6.697   1.614   9.740
  608   2HG   ARG  84          2HG       ARG  84  -5.946   1.174   8.204
  609   1HD   ARG  84          1HD       ARG  84  -5.993  -1.326   9.364
  610   2HD   ARG  84          2HD       ARG  84  -7.359  -0.613  10.219
  611    HE   ARG  84           HE       ARG  84  -7.240  -1.183   7.261
  612   1HH1  ARG  84          1HH1      ARG  84 -10.432   0.754   8.683
  613   2HH1  ARG  84          2HH1      ARG  84  -8.791   1.021   9.461
  614   1HH2  ARG  84          1HH2      ARG  84  -9.228  -1.536   6.416
  615   2HH2  ARG  84          2HH2      ARG  84 -10.669  -0.626   7.096
  616    H    GLN  85           H        GLN  85  -1.791   1.779  10.278
  617    HA   GLN  85           HA       GLN  85  -1.108   0.435  12.787
  618   1HB   GLN  85          1HB       GLN  85   1.331   1.501  11.885
  619   2HB   GLN  85          2HB       GLN  85   0.379   1.445  10.411
  620   1HG   GLN  85          1HG       GLN  85   1.371  -0.656  10.345
  621   2HG   GLN  85          2HG       GLN  85   1.429  -0.837  12.086
  622   1HE2  GLN  85          1HE2      GLN  85  -1.225  -3.225  11.569
  623   2HE2  GLN  85          2HE2      GLN  85   0.578  -2.988  11.812
  624    H    MET  86           H        MET  86  -0.813   3.804  11.701
  625    HA   MET  86           HA       MET  86   0.807   4.895  13.853
  626   1HB   MET  86          1HB       MET  86  -1.348   6.570  12.475
  627   2HB   MET  86          2HB       MET  86   0.046   5.996  11.577
  628   1HG   MET  86          1HG       MET  86   1.230   7.134  13.898
  629   2HG   MET  86          2HG       MET  86   1.153   7.854  12.282
  630   1HE   MET  86          1HE       MET  86   0.274  10.359  15.335
  631   2HE   MET  86          2HE       MET  86  -0.140   8.801  16.107
  632   3HE   MET  86          3HE       MET  86   1.376   8.956  15.173
  633    H    LYS  87           H        LYS  87  -2.737   4.763  13.447
  634    HA   LYS  87           HA       LYS  87  -3.473   5.965  16.042
  635   1HB   LYS  87          1HB       LYS  87  -5.567   5.861  15.235
  636   2HB   LYS  87          2HB       LYS  87  -4.915   5.171  13.763
  637   1HG   LYS  87          1HG       LYS  87  -5.444   2.908  14.456
  638   2HG   LYS  87          2HG       LYS  87  -5.694   3.376  16.126
  639   1HD   LYS  87          1HD       LYS  87  -7.533   4.617  14.024
  640   2HD   LYS  87          2HD       LYS  87  -7.725   2.912  14.395
  641   1HE   LYS  87          1HE       LYS  87  -8.462   3.276  16.603
  642   2HE   LYS  87          2HE       LYS  87  -7.625   4.821  16.772
  643   1HZ   LYS  87          1HZ       LYS  87  -9.382   5.394  14.818
  644   2HZ   LYS  87          2HZ       LYS  87 -10.247   4.257  15.648
  645   3HZ   LYS  87          3HZ       LYS  87  -9.701   5.609  16.425
  646    H    GLU  88           H        GLU  88  -2.691   2.714  14.928
  647    HA   GLU  88           HA       GLU  88  -2.183   0.676  16.090
  648   1HB   GLU  88          1HB       GLU  88  -0.836   2.360  17.491
  649   2HB   GLU  88          2HB       GLU  88  -2.151   2.353  18.649
  650   1HG   GLU  88          1HG       GLU  88  -1.734   0.091  19.329
  651   2HG   GLU  88          2HG       GLU  88  -0.893  -0.319  17.844
  652    H    ASP  89           H        ASP  89  -4.335   0.102  15.425
  653    HA   ASP  89           HA       ASP  89  -6.550   0.216  17.497
  654   1HB   ASP  89          1HB       ASP  89  -6.970   0.787  15.016
  655   2HB   ASP  89          2HB       ASP  89  -6.769  -0.912  14.655
  656    H    ALA  90           H        ALA  90  -7.026  -1.412  18.750
  657    HA   ALA  90           HA       ALA  90  -6.463  -4.292  17.986
  658   1HB   ALA  90          1HB       ALA  90  -4.505  -4.306  19.228
  659   2HB   ALA  90          2HB       ALA  90  -4.931  -2.848  20.145
  660   3HB   ALA  90          3HB       ALA  90  -5.598  -4.426  20.630
   
  Start of MODEL          11
 Raw file had  660 H/Q atoms
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1 -26.185   6.407   5.254
    2   2H    ALA   1          2H        ALA   1 -25.677   5.384   6.488
    3   3H    ALA   1          3H        ALA   1 -24.874   6.837   6.216
    4    HA   ALA   1           HA       ALA   1 -24.981   4.478   4.436
    5   1HB   ALA   1          1HB       ALA   1 -24.101   7.349   3.938
    6   2HB   ALA   1          2HB       ALA   1 -23.181   6.049   3.158
    7   3HB   ALA   1          3HB       ALA   1 -24.926   6.219   2.839
    8    H    SER   2           H        SER   2 -22.400   4.339   3.812
    9    HA   SER   2           HA       SER   2 -20.629   4.530   6.275
   10   1HB   SER   2          1HB       SER   2 -21.981   2.039   5.454
   11   2HB   SER   2          2HB       SER   2 -20.227   1.847   5.476
   12    HG   SER   2           HG       SER   2 -21.970   2.647   7.535
   13    H    MET   3           H        MET   3 -18.448   4.350   5.803
   14    HA   MET   3           HA       MET   3 -16.442   4.697   4.512
   15   1HB   MET   3          1HB       MET   3 -17.817   2.487   2.889
   16   2HB   MET   3          2HB       MET   3 -16.615   2.305   4.155
   17   1HG   MET   3          1HG       MET   3 -14.942   2.361   2.614
   18   2HG   MET   3          2HG       MET   3 -15.417   3.992   2.112
   19   1HE   MET   3          1HE       MET   3 -15.293   0.321   1.516
   20   2HE   MET   3          2HE       MET   3 -17.071   0.128   1.510
   21   3HE   MET   3          3HE       MET   3 -16.158   0.014  -0.023
   22    H    THR   4           H        THR   4 -18.286   6.646   4.236
   23    HA   THR   4           HA       THR   4 -19.180   7.500   1.635
   24    HB   THR   4           HB       THR   4 -18.754   9.882   2.430
   25    HG1  THR   4           HG1      THR   4 -18.268   8.744   4.939
   26   1HG2  THR   4          1HG2      THR   4 -20.509   9.920   4.162
   27   2HG2  THR   4          2HG2      THR   4 -21.002   8.813   2.862
   28   3HG2  THR   4          3HG2      THR   4 -20.396   8.164   4.408
   29    H    ASP   5           H        ASP   5 -15.966   7.146   2.942
   30    HA   ASP   5           HA       ASP   5 -14.481   7.066   0.548
   31   1HB   ASP   5          1HB       ASP   5 -15.157   9.915   1.169
   32   2HB   ASP   5          2HB       ASP   5 -13.454   9.631   0.896
   33    H    GLN   6           H        GLN   6 -13.969   5.618   2.421
   34    HA   GLN   6           HA       GLN   6 -12.453   6.597   4.783
   35   1HB   GLN   6          1HB       GLN   6 -13.168   3.863   3.674
   36   2HB   GLN   6          2HB       GLN   6 -11.804   3.966   4.773
   37   1HG   GLN   6          1HG       GLN   6 -13.556   5.378   6.294
   38   2HG   GLN   6          2HG       GLN   6 -14.744   4.511   5.343
   39   1HE2  GLN   6          1HE2      GLN   6 -14.247   1.442   7.139
   40   2HE2  GLN   6          2HE2      GLN   6 -15.101   2.331   5.780
   41    H    GLN   7           H        GLN   7 -11.662   5.239   1.615
   42    HA   GLN   7           HA       GLN   7  -8.800   4.702   1.962
   43   1HB   GLN   7          1HB       GLN   7  -9.822   5.642  -0.739
   44   2HB   GLN   7          2HB       GLN   7  -8.642   4.405  -0.346
   45   1HG   GLN   7          1HG       GLN   7 -11.690   4.154  -0.024
   46   2HG   GLN   7          2HG       GLN   7 -10.713   3.399  -1.266
   47   1HE2  GLN   7          1HE2      GLN   7  -9.499   0.778   0.973
   48   2HE2  GLN   7          2HE2      GLN   7  -8.983   1.838  -0.433
   49    H    ALA   8           H        ALA   8 -10.635   7.585   0.967
   50    HA   ALA   8           HA       ALA   8  -8.299   9.263   0.249
   51   1HB   ALA   8          1HB       ALA   8  -9.842  10.913  -0.330
   52   2HB   ALA   8          2HB       ALA   8 -10.845   9.458  -0.490
   53   3HB   ALA   8          3HB       ALA   8 -11.001  10.491   0.954
   54    H    GLU   9           H        GLU   9 -10.233   8.698   3.137
   55    HA   GLU   9           HA       GLU   9  -9.668  10.997   4.759
   56   1HB   GLU   9          1HB       GLU   9 -10.993   8.557   5.178
   57   2HB   GLU   9          2HB       GLU   9  -9.698   8.500   6.358
   58   1HG   GLU   9          1HG       GLU   9 -11.390   9.531   7.610
   59   2HG   GLU   9          2HG       GLU   9 -10.510  10.942   7.049
   60    H    ALA  10           H        ALA  10  -7.739   8.101   4.138
   61    HA   ALA  10           HA       ALA  10  -5.718   8.346   6.218
   62   1HB   ALA  10          1HB       ALA  10  -4.343   6.812   4.820
   63   2HB   ALA  10          2HB       ALA  10  -6.026   6.261   4.918
   64   3HB   ALA  10          3HB       ALA  10  -5.434   7.048   3.433
   65    NH1  ARG  11           NH1      ARG  11  -6.808  14.179  -2.612
   66    NH2  ARG  11           NH2      ARG  11  -7.758  15.081  -0.755
   67    H    ARG  11           H        ARG  11  -5.868   9.602   2.893
   68    HA   ARG  11           HA       ARG  11  -3.141  10.792   2.787
   69   1HB   ARG  11          1HB       ARG  11  -4.067  10.299   0.656
   70   2HB   ARG  11          2HB       ARG  11  -5.632  10.992   1.053
   71   1HG   ARG  11          1HG       ARG  11  -4.309  13.311   1.217
   72   2HG   ARG  11          2HG       ARG  11  -3.076  12.471   0.274
   73   1HD   ARG  11          1HD       ARG  11  -5.061  11.793  -1.357
   74   2HD   ARG  11          2HD       ARG  11  -4.396  13.423  -1.446
   75    HE   ARG  11           HE       ARG  11  -6.810  13.050   0.353
   76   1HH1  ARG  11          1HH1      ARG  11  -7.287  14.927  -3.125
   77   2HH1  ARG  11          2HH1      ARG  11  -6.239  13.425  -3.012
   78   1HH2  ARG  11          1HH2      ARG  11  -7.914  15.013   0.257
   79   2HH2  ARG  11          2HH2      ARG  11  -8.166  15.771  -1.395
   80    H    ALA  12           H        ALA  12  -6.382  11.872   3.675
   81    HA   ALA  12           HA       ALA  12  -5.870  14.773   3.918
   82   1HB   ALA  12          1HB       ALA  12  -7.990  14.849   5.215
   83   2HB   ALA  12          2HB       ALA  12  -8.177  13.888   3.734
   84   3HB   ALA  12          3HB       ALA  12  -8.032  13.072   5.311
   85    H    PHE  13           H        PHE  13  -5.410  11.977   6.005
   86    HA   PHE  13           HA       PHE  13  -5.104  13.373   8.571
   87   1HB   PHE  13          1HB       PHE  13  -4.361  10.562   7.621
   88   2HB   PHE  13          2HB       PHE  13  -5.692  11.041   8.640
   89    HD1  PHE  13           HD1      PHE  13  -5.447  10.631  10.978
   90    HD2  PHE  13           HD2      PHE  13  -1.884  11.280   8.651
   91    HE1  PHE  13           HE1      PHE  13  -4.057  10.057  12.926
   92    HE2  PHE  13           HE2      PHE  13  -0.513  10.742  10.621
   93    HZ   PHE  13           HZ       PHE  13  -1.592  10.150  12.764
   94    H    LEU  14           H        LEU  14  -2.806  12.113   6.159
   95    HA   LEU  14           HA       LEU  14  -0.403  13.238   7.618
   96   1HB   LEU  14          1HB       LEU  14   0.968  11.940   6.187
   97   2HB   LEU  14          2HB       LEU  14  -0.220  11.874   4.903
   98    HG   LEU  14           HG       LEU  14  -1.655  10.408   6.608
   99   1HD1  LEU  14          1HD1      LEU  14   1.156   9.927   7.784
  100   2HD1  LEU  14          2HD1      LEU  14  -0.118  10.856   8.595
  101   3HD1  LEU  14          3HD1      LEU  14  -0.358   9.121   8.267
  102   1HD2  LEU  14          1HD2      LEU  14  -0.667   8.344   5.706
  103   2HD2  LEU  14          2HD2      LEU  14  -0.550   9.586   4.435
  104   3HD2  LEU  14          3HD2      LEU  14   0.884   9.157   5.379
  105    H    SER  15           H        SER  15   1.138  14.556   6.451
  106    HA   SER  15           HA       SER  15  -0.104  16.911   5.148
  107   1HB   SER  15          1HB       SER  15   2.507  17.507   4.895
  108   2HB   SER  15          2HB       SER  15   2.695  16.184   6.048
  109    HG   SER  15           HG       SER  15   2.378  17.991   7.202
  110    H    GLU  16           H        GLU  16   0.863  17.827   3.124
  111    HA   GLU  16           HA       GLU  16   0.471  15.936   0.851
  112   1HB   GLU  16          1HB       GLU  16   1.306  18.205  -0.411
  113   2HB   GLU  16          2HB       GLU  16   0.827  18.916   1.118
  114   1HG   GLU  16          1HG       GLU  16  -1.470  17.610   0.764
  115   2HG   GLU  16          2HG       GLU  16  -1.163  19.106  -0.101
  116    H    GLU  17           H        GLU  17   3.139  17.538   2.473
  117    HA   GLU  17           HA       GLU  17   5.214  16.937   0.406
  118   1HB   GLU  17          1HB       GLU  17   5.212  18.883   2.175
  119   2HB   GLU  17          2HB       GLU  17   5.893  17.702   3.275
  120   1HG   GLU  17          1HG       GLU  17   7.891  18.532   2.473
  121   2HG   GLU  17          2HG       GLU  17   7.653  17.329   1.217
  122    H    MET  18           H        MET  18   4.038  15.506   3.403
  123    HA   MET  18           HA       MET  18   6.135  13.504   3.853
  124   1HB   MET  18          1HB       MET  18   4.850  13.738   5.763
  125   2HB   MET  18          2HB       MET  18   3.341  13.932   4.889
  126   1HG   MET  18          1HG       MET  18   4.425  11.175   4.556
  127   2HG   MET  18          2HG       MET  18   2.813  11.708   5.059
  128   1HE   MET  18          1HE       MET  18   4.345  13.752   7.818
  129   2HE   MET  18          2HE       MET  18   2.700  13.280   7.297
  130   3HE   MET  18          3HE       MET  18   3.351  12.672   8.847
  131    H    ILE  19           H        ILE  19   3.193  13.595   1.912
  132    HA   ILE  19           HA       ILE  19   3.058  10.772   1.085
  133    HB   ILE  19           HB       ILE  19   1.978  13.277  -0.300
  134   1HG1  ILE  19          1HG1      ILE  19   0.618  13.068   1.619
  135   2HG1  ILE  19          2HG1      ILE  19  -0.289  12.147   0.439
  136   1HG2  ILE  19          1HG2      ILE  19   0.626  11.764  -1.769
  137   2HG2  ILE  19          2HG2      ILE  19   2.348  11.484  -2.025
  138   3HG2  ILE  19          3HG2      ILE  19   1.406  10.332  -1.051
  139   1HD1  ILE  19          1HD1      ILE  19   1.470  10.890   2.625
  140   2HD1  ILE  19          2HD1      ILE  19  -0.303  10.910   2.532
  141   3HD1  ILE  19          3HD1      ILE  19   0.633   9.975   1.341
  142    H    ALA  20           H        ALA  20   4.648  13.673  -0.226
  143    HA   ALA  20           HA       ALA  20   5.650  12.761  -2.727
  144   1HB   ALA  20          1HB       ALA  20   7.024  14.634  -2.738
  145   2HB   ALA  20          2HB       ALA  20   5.885  15.103  -1.461
  146   3HB   ALA  20          3HB       ALA  20   7.500  14.485  -1.030
  147    H    GLU  21           H        GLU  21   6.913  12.181   0.530
  148    HA   GLU  21           HA       GLU  21   9.470  10.916  -0.287
  149   1HB   GLU  21          1HB       GLU  21   8.882  12.096   1.975
  150   2HB   GLU  21          2HB       GLU  21   8.182  10.564   2.456
  151   1HG   GLU  21          1HG       GLU  21  10.399   9.416   2.166
  152   2HG   GLU  21          2HG       GLU  21  10.474  10.732   3.325
  153    H    PHE  22           H        PHE  22   6.333   9.739   0.925
  154    HA   PHE  22           HA       PHE  22   6.776   6.911   1.004
  155   1HB   PHE  22          1HB       PHE  22   4.185   8.381   0.238
  156   2HB   PHE  22          2HB       PHE  22   4.264   6.663   0.532
  157    HD1  PHE  22           HD1      PHE  22   2.525   7.148   2.372
  158    HD2  PHE  22           HD2      PHE  22   6.536   8.691   2.613
  159    HE1  PHE  22           HE1      PHE  22   2.239   7.545   4.781
  160    HE2  PHE  22           HE2      PHE  22   6.226   9.091   5.021
  161    HZ   PHE  22           HZ       PHE  22   4.075   8.538   6.105
  162    H    LYS  23           H        LYS  23   6.199   9.051  -1.721
  163    HA   LYS  23           HA       LYS  23   5.564   7.085  -3.797
  164   1HB   LYS  23          1HB       LYS  23   6.339   8.918  -5.434
  165   2HB   LYS  23          2HB       LYS  23   6.762   9.909  -4.054
  166   1HG   LYS  23          1HG       LYS  23   3.993   9.013  -4.985
  167   2HG   LYS  23          2HG       LYS  23   4.217   9.503  -3.318
  168   1HD   LYS  23          1HD       LYS  23   5.400  11.670  -4.621
  169   2HD   LYS  23          2HD       LYS  23   3.746  11.597  -4.036
  170   1HE   LYS  23          1HE       LYS  23   3.080  10.623  -6.372
  171   2HE   LYS  23          2HE       LYS  23   3.465  12.343  -6.281
  172   1HZ   LYS  23          1HZ       LYS  23   4.670  11.576  -8.099
  173   2HZ   LYS  23          2HZ       LYS  23   5.834  11.561  -6.927
  174   3HZ   LYS  23          3HZ       LYS  23   5.113  10.150  -7.392
  175    H    ALA  24           H        ALA  24   8.617   8.748  -2.946
  176    HA   ALA  24           HA       ALA  24  10.357   7.587  -4.951
  177   1HB   ALA  24          1HB       ALA  24  12.242   8.298  -3.492
  178   2HB   ALA  24          2HB       ALA  24  11.010   9.568  -3.610
  179   3HB   ALA  24          3HB       ALA  24  11.128   8.578  -2.133
  180    H    ALA  25           H        ALA  25   9.350   6.432  -1.763
  181    HA   ALA  25           HA       ALA  25  11.330   4.244  -1.487
  182   1HB   ALA  25          1HB       ALA  25   9.965   3.539   0.471
  183   2HB   ALA  25          2HB       ALA  25  10.287   5.283   0.506
  184   3HB   ALA  25          3HB       ALA  25   8.678   4.685   0.027
  185    H    PHE  26           H        PHE  26   7.902   4.429  -2.432
  186    HA   PHE  26           HA       PHE  26   7.301   1.612  -2.672
  187   1HB   PHE  26          1HB       PHE  26   6.046   3.848  -4.370
  188   2HB   PHE  26          2HB       PHE  26   5.631   3.563  -2.700
  189    HD1  PHE  26           HD1      PHE  26   3.763   2.137  -2.265
  190    HD2  PHE  26           HD2      PHE  26   5.891   1.629  -5.969
  191    HE1  PHE  26           HE1      PHE  26   2.098   0.482  -3.007
  192    HE2  PHE  26           HE2      PHE  26   4.199  -0.001  -6.707
  193    HZ   PHE  26           HZ       PHE  26   2.309  -0.584  -5.227
  194    H    ASP  27           H        ASP  27   8.494   3.955  -5.077
  195    HA   ASP  27           HA       ASP  27   8.524   2.168  -7.410
  196   1HB   ASP  27          1HB       ASP  27   8.661   4.786  -7.378
  197   2HB   ASP  27          2HB       ASP  27  10.379   4.581  -7.123
  198    H    MET  28           H        MET  28  10.753   2.792  -4.780
  199    HA   MET  28           HA       MET  28  13.275   1.862  -5.706
  200   1HB   MET  28          1HB       MET  28  12.385   2.557  -3.214
  201   2HB   MET  28          2HB       MET  28  12.487   0.821  -2.985
  202   1HG   MET  28          1HG       MET  28  14.963   1.100  -4.017
  203   2HG   MET  28          2HG       MET  28  14.745   2.793  -3.546
  204   1HE   MET  28          1HE       MET  28  15.759   2.942  -0.083
  205   2HE   MET  28          2HE       MET  28  15.402   3.683  -1.671
  206   3HE   MET  28          3HE       MET  28  14.077   3.391  -0.507
  207    H    PHE  29           H        PHE  29  10.404   0.002  -4.858
  208    HA   PHE  29           HA       PHE  29  11.787  -2.665  -5.412
  209   1HB   PHE  29          1HB       PHE  29   9.707  -3.736  -4.520
  210   2HB   PHE  29          2HB       PHE  29   8.937  -2.182  -4.358
  211    HD1  PHE  29           HD1      PHE  29  10.451  -4.642  -2.450
  212    HD2  PHE  29           HD2      PHE  29  10.587  -0.366  -2.935
  213    HE1  PHE  29           HE1      PHE  29  11.325  -4.398  -0.162
  214    HE2  PHE  29           HE2      PHE  29  11.447  -0.145  -0.640
  215    HZ   PHE  29           HZ       PHE  29  11.825  -2.154   0.745
  216    H    ASP  30           H        ASP  30   9.232  -0.503  -6.531
  217    HA   ASP  30           HA       ASP  30   8.359  -2.294  -8.783
  218   1HB   ASP  30          1HB       ASP  30   6.749  -0.733  -7.556
  219   2HB   ASP  30          2HB       ASP  30   7.551   0.627  -8.308
  220    H    ALA  31           H        ALA  31  10.229  -2.605  -9.939
  221    HA   ALA  31           HA       ALA  31  12.088  -0.565 -10.929
  222   1HB   ALA  31          1HB       ALA  31  12.891  -2.344 -12.488
  223   2HB   ALA  31          2HB       ALA  31  12.707  -2.955 -10.832
  224   3HB   ALA  31          3HB       ALA  31  11.500  -3.374 -12.076
  225    H    ASP  32           H        ASP  32   9.296  -2.203 -12.428
  226    HA   ASP  32           HA       ASP  32   8.483   0.224 -13.961
  227   1HB   ASP  32          1HB       ASP  32   8.527  -1.018 -16.246
  228   2HB   ASP  32          2HB       ASP  32   9.986  -0.254 -15.661
  229    H    GLY  33           H        GLY  33   6.396   0.038 -14.782
  230   1HA   GLY  33          1HA       GLY  33   4.645  -1.962 -13.347
  231   2HA   GLY  33          2HA       GLY  33   4.601  -2.109 -15.107
  232    H    GLY  34           H        GLY  34   4.238   0.275 -12.485
  233   1HA   GLY  34          1HA       GLY  34   1.692   1.395 -13.532
  234   2HA   GLY  34          2HA       GLY  34   3.033   2.480 -13.914
  235    H    GLY  35           H        GLY  35   1.634   0.656 -11.195
  236   1HA   GLY  35          1HA       GLY  35   2.905   2.376  -9.072
  237   2HA   GLY  35          2HA       GLY  35   1.185   2.711  -9.298
  238    H    ASP  36           H        ASP  36   2.996  -0.348  -9.488
  239    HA   ASP  36           HA       ASP  36   1.446  -1.488  -7.115
  240   1HB   ASP  36          1HB       ASP  36   0.857  -3.545  -8.287
  241   2HB   ASP  36          2HB       ASP  36   0.158  -2.160  -9.094
  242    H    ILE  37           H        ILE  37   2.429  -3.400  -6.240
  243    HA   ILE  37           HA       ILE  37   5.310  -4.040  -6.967
  244    HB   ILE  37           HB       ILE  37   6.103  -3.779  -4.606
  245   1HG1  ILE  37          1HG1      ILE  37   3.371  -2.456  -4.194
  246   2HG1  ILE  37          2HG1      ILE  37   4.753  -1.810  -3.336
  247   1HG2  ILE  37          1HG2      ILE  37   6.632  -1.347  -4.825
  248   2HG2  ILE  37          2HG2      ILE  37   6.705  -2.133  -6.409
  249   3HG2  ILE  37          3HG2      ILE  37   5.301  -1.125  -5.986
  250   1HD1  ILE  37          1HD1      ILE  37   5.191  -3.953  -2.176
  251   2HD1  ILE  37          2HD1      ILE  37   3.504  -3.447  -1.941
  252   3HD1  ILE  37          3HD1      ILE  37   3.883  -4.747  -3.094
  253    H    SER  38           H        SER  38   6.030  -5.945  -5.691
  254    HA   SER  38           HA       SER  38   4.353  -8.250  -5.763
  255   1HB   SER  38          1HB       SER  38   6.318  -8.232  -3.493
  256   2HB   SER  38          2HB       SER  38   6.980  -7.834  -5.081
  257    HG   SER  38           HG       SER  38   6.947 -10.060  -4.638
  258    H    THR  39           H        THR  39   3.151  -9.364  -4.231
  259    HA   THR  39           HA       THR  39   1.584  -7.667  -2.302
  260    HB   THR  39           HB       THR  39   0.252  -9.881  -1.978
  261    HG1  THR  39           HG1      THR  39   0.899 -10.684  -4.459
  262   1HG2  THR  39          1HG2      THR  39  -1.122  -9.519  -3.981
  263   2HG2  THR  39          2HG2      THR  39  -0.621  -7.936  -3.342
  264   3HG2  THR  39          3HG2      THR  39   0.179  -8.612  -4.786
  265    H    LYS  40           H        LYS  40   4.216  -9.902  -2.210
  266    HA   LYS  40           HA       LYS  40   3.808 -10.760   0.652
  267   1HB   LYS  40          1HB       LYS  40   5.807 -11.459  -1.553
  268   2HB   LYS  40          2HB       LYS  40   6.213 -11.845   0.109
  269   1HG   LYS  40          1HG       LYS  40   4.893 -13.697   0.090
  270   2HG   LYS  40          2HG       LYS  40   3.492 -12.800  -0.463
  271   1HD   LYS  40          1HD       LYS  40   3.955 -13.228  -2.788
  272   2HD   LYS  40          2HD       LYS  40   5.656 -13.535  -2.479
  273   1HE   LYS  40          1HE       LYS  40   4.212 -15.605  -3.050
  274   2HE   LYS  40          2HE       LYS  40   3.472 -15.455  -1.455
  275   1HZ   LYS  40          1HZ       LYS  40   5.486 -15.976  -0.419
  276   2HZ   LYS  40          2HZ       LYS  40   5.526 -16.954  -1.751
  277   3HZ   LYS  40          3HZ       LYS  40   6.423 -15.567  -1.717
  278    H    GLU  41           H        GLU  41   5.636  -8.397  -1.171
  279    HA   GLU  41           HA       GLU  41   7.801  -8.053   0.884
  280   1HB   GLU  41          1HB       GLU  41   8.570  -6.187  -0.744
  281   2HB   GLU  41          2HB       GLU  41   7.272  -6.694  -1.809
  282   1HG   GLU  41          1HG       GLU  41   9.854  -8.143  -1.103
  283   2HG   GLU  41          2HG       GLU  41   8.455  -9.148  -1.438
  284    H    LEU  42           H        LEU  42   4.710  -6.569   0.336
  285    HA   LEU  42           HA       LEU  42   4.954  -3.842   0.841
  286   1HB   LEU  42          1HB       LEU  42   2.710  -3.977   0.852
  287   2HB   LEU  42          2HB       LEU  42   2.755  -4.646   2.488
  288    HG   LEU  42           HG       LEU  42   1.368  -6.080   1.209
  289   1HD1  LEU  42          1HD1      LEU  42   4.050  -7.570   1.449
  290   2HD1  LEU  42          2HD1      LEU  42   3.026  -7.168   2.836
  291   3HD1  LEU  42          3HD1      LEU  42   2.412  -8.262   1.571
  292   1HD2  LEU  42          1HD2      LEU  42   1.960  -7.228  -0.882
  293   2HD2  LEU  42          2HD2      LEU  42   2.236  -5.484  -1.118
  294   3HD2  LEU  42          3HD2      LEU  42   3.614  -6.564  -0.843
  295    H    GLY  43           H        GLY  43   4.738  -6.379   3.346
  296   1HA   GLY  43          1HA       GLY  43   5.051  -4.991   5.808
  297   2HA   GLY  43          2HA       GLY  43   5.837  -6.546   5.503
  298    H    THR  44           H        THR  44   7.794  -6.294   3.905
  299    HA   THR  44           HA       THR  44   9.980  -5.258   5.251
  300    HB   THR  44           HB       THR  44   9.660  -5.745   2.276
  301    HG1  THR  44           HG1      THR  44  11.472  -6.923   4.052
  302   1HG2  THR  44          1HG2      THR  44  12.128  -5.514   1.965
  303   2HG2  THR  44          2HG2      THR  44  11.379  -3.946   2.333
  304   3HG2  THR  44          3HG2      THR  44  12.284  -4.818   3.597
  305    H    VAL  45           H        VAL  45   8.197  -3.545   2.673
  306    HA   VAL  45           HA       VAL  45   9.893  -1.198   2.455
  307    HB   VAL  45           HB       VAL  45   8.573  -0.809   0.727
  308   1HG1  VAL  45          1HG1      VAL  45   6.391  -1.897   0.254
  309   2HG1  VAL  45          2HG1      VAL  45   7.543  -3.094   0.860
  310   3HG1  VAL  45          3HG1      VAL  45   6.269  -2.476   1.937
  311   1HG2  VAL  45          1HG2      VAL  45   6.355   0.075   2.690
  312   2HG2  VAL  45          2HG2      VAL  45   7.675   1.101   2.081
  313   3HG2  VAL  45          3HG2      VAL  45   6.458   0.481   0.957
  314    H    MET  46           H        MET  46   7.064  -1.874   4.515
  315    HA   MET  46           HA       MET  46   6.864   0.762   5.788
  316   1HB   MET  46          1HB       MET  46   5.146  -0.090   7.092
  317   2HB   MET  46          2HB       MET  46   5.097  -1.171   5.712
  318   1HG   MET  46          1HG       MET  46   5.546  -3.026   6.991
  319   2HG   MET  46          2HG       MET  46   6.877  -2.236   7.851
  320   1HE   MET  46          1HE       MET  46   4.136  -4.112   8.287
  321   2HE   MET  46          2HE       MET  46   3.328  -3.617   9.804
  322   3HE   MET  46          3HE       MET  46   2.745  -2.984   8.237
  323    NH1  ARG  47           NH1      ARG  47  13.368  -4.127  11.508
  324    NH2  ARG  47           NH2      ARG  47  13.900  -6.282  11.026
  325    H    ARG  47           H        ARG  47   8.739  -2.135   6.467
  326    HA   ARG  47           HA       ARG  47   9.533  -1.526   9.250
  327   1HB   ARG  47          1HB       ARG  47   9.594  -3.845   8.292
  328   2HB   ARG  47          2HB       ARG  47  10.874  -3.366   7.187
  329   1HG   ARG  47          1HG       ARG  47  11.538  -2.764  10.042
  330   2HG   ARG  47          2HG       ARG  47  11.264  -4.479   9.732
  331   1HD   ARG  47          1HD       ARG  47  13.475  -2.684   8.704
  332   2HD   ARG  47          2HD       ARG  47  12.872  -3.868   7.547
  333    HE   ARG  47           HE       ARG  47  14.424  -5.271   8.766
  334   1HH1  ARG  47          1HH1      ARG  47  13.888  -6.429  12.041
  335   2HH1  ARG  47          2HH1      ARG  47  14.075  -6.990  10.304
  336   1HH2  ARG  47          1HH2      ARG  47  13.083  -3.206  11.155
  337   2HH2  ARG  47          2HH2      ARG  47  13.456  -4.408  12.491
  338    H    MET  48           H        MET  48  11.001  -0.958   6.062
  339    HA   MET  48           HA       MET  48  13.435   0.395   7.201
  340   1HB   MET  48          1HB       MET  48  12.849   0.597   4.244
  341   2HB   MET  48          2HB       MET  48  13.060  -1.023   4.885
  342   1HG   MET  48          1HG       MET  48  15.180   0.993   5.694
  343   2HG   MET  48          2HG       MET  48  15.143   0.507   3.992
  344   1HE   MET  48          1HE       MET  48  14.384  -1.924   3.427
  345   2HE   MET  48          2HE       MET  48  16.070  -2.514   3.335
  346   3HE   MET  48          3HE       MET  48  14.873  -3.388   4.336
  347    H    LEU  49           H        LEU  49  10.408   1.405   7.237
  348    HA   LEU  49           HA       LEU  49  10.978   4.293   6.393
  349   1HB   LEU  49          1HB       LEU  49   8.413   4.525   6.937
  350   2HB   LEU  49          2HB       LEU  49   8.370   2.775   6.924
  351    HG   LEU  49           HG       LEU  49   8.852   2.619   4.584
  352   1HD1  LEU  49          1HD1      LEU  49   7.125   4.053   3.484
  353   2HD1  LEU  49          2HD1      LEU  49   6.523   3.423   5.028
  354   3HD1  LEU  49          3HD1      LEU  49   7.060   5.117   4.912
  355   1HD2  LEU  49          1HD2      LEU  49   9.689   5.597   4.577
  356   2HD2  LEU  49          2HD2      LEU  49  10.779   4.199   4.410
  357   3HD2  LEU  49          3HD2      LEU  49   9.592   4.542   3.144
  358    H    GLY  50           H        GLY  50  10.108   2.135   9.047
  359   1HA   GLY  50          1HA       GLY  50  11.519   2.977  11.212
  360   2HA   GLY  50          2HA       GLY  50  10.447   4.377  11.099
  361    H    GLN  51           H        GLN  51   9.960   0.855  10.775
  362    HA   GLN  51           HA       GLN  51   7.862   0.869  13.009
  363   1HB   GLN  51          1HB       GLN  51   7.069   0.993  10.350
  364   2HB   GLN  51          2HB       GLN  51   7.151  -0.745  10.583
  365   1HG   GLN  51          1HG       GLN  51   5.074  -0.670  11.459
  366   2HG   GLN  51          2HG       GLN  51   5.747   0.085  12.889
  367   1HE2  GLN  51          1HE2      GLN  51   4.034   3.160  12.270
  368   2HE2  GLN  51          2HE2      GLN  51   4.765   1.956  13.446
  369    H    ASN  52           H        ASN  52   7.246  -1.416  13.532
  370    HA   ASN  52           HA       ASN  52   9.583  -3.347  13.206
  371   1HB   ASN  52          1HB       ASN  52   8.212  -2.478  15.796
  372   2HB   ASN  52          2HB       ASN  52   9.132  -3.965  15.714
  373   1HD2  ASN  52          1HD2      ASN  52  12.020  -1.987  16.532
  374   2HD2  ASN  52          2HD2      ASN  52  10.910  -3.393  16.928
  375    HA   PRO  53           HA       PRO  53   5.189  -5.453  12.693
  376   1HB   PRO  53          1HB       PRO  53   5.293  -6.231  10.055
  377   2HB   PRO  53          2HB       PRO  53   4.786  -4.620  10.585
  378   1HG   PRO  53          1HG       PRO  53   6.509  -3.994   9.109
  379   2HG   PRO  53          2HG       PRO  53   7.526  -5.412   9.454
  380   1HD   PRO  53          1HD       PRO  53   8.621  -3.895  10.928
  381   2HD   PRO  53          2HD       PRO  53   7.197  -2.814  11.003
  382    H    THR  54           H        THR  54   5.183  -7.791  11.197
  383    HA   THR  54           HA       THR  54   7.660  -9.412  11.689
  384    HB   THR  54           HB       THR  54   6.938 -10.969  13.229
  385    HG1  THR  54           HG1      THR  54   4.947 -11.544  13.554
  386   1HG2  THR  54          1HG2      THR  54   6.011  -9.844  15.228
  387   2HG2  THR  54          2HG2      THR  54   7.204  -8.784  14.443
  388   3HG2  THR  54          3HG2      THR  54   5.462  -8.461  14.250
  389    H    LYS  55           H        LYS  55   7.442 -11.586  10.769
  390    HA   LYS  55           HA       LYS  55   6.268 -11.623   8.070
  391   1HB   LYS  55          1HB       LYS  55   7.050 -14.157   9.600
  392   2HB   LYS  55          2HB       LYS  55   8.282 -13.037   9.062
  393   1HG   LYS  55          1HG       LYS  55   6.779 -15.068   7.548
  394   2HG   LYS  55          2HG       LYS  55   6.619 -13.511   6.759
  395   1HD   LYS  55          1HD       LYS  55   8.540 -14.514   5.728
  396   2HD   LYS  55          2HD       LYS  55   9.182 -13.298   6.820
  397   1HE   LYS  55          1HE       LYS  55  10.615 -15.080   7.308
  398   2HE   LYS  55          2HE       LYS  55   9.416 -15.291   8.584
  399   1HZ   LYS  55          1HZ       LYS  55   9.732 -16.856   6.090
  400   2HZ   LYS  55          2HZ       LYS  55   9.659 -17.395   7.650
  401   3HZ   LYS  55          3HZ       LYS  55   8.288 -16.867   6.893
  402    H    GLU  56           H        GLU  56   5.238 -12.738  11.251
  403    HA   GLU  56           HA       GLU  56   3.043 -14.495  10.465
  404   1HB   GLU  56          1HB       GLU  56   3.820 -13.131  13.051
  405   2HB   GLU  56          2HB       GLU  56   2.194 -13.772  12.925
  406   1HG   GLU  56          1HG       GLU  56   2.970 -16.052  12.682
  407   2HG   GLU  56          2HG       GLU  56   4.595 -15.557  12.239
  408    H    GLU  57           H        GLU  57   3.105 -11.061  11.446
  409    HA   GLU  57           HA       GLU  57   0.200 -10.564  11.143
  410   1HB   GLU  57          1HB       GLU  57   0.834  -8.109  11.183
  411   2HB   GLU  57          2HB       GLU  57   1.262  -9.058  12.595
  412   1HG   GLU  57          1HG       GLU  57   3.667  -9.114  11.868
  413   2HG   GLU  57          2HG       GLU  57   3.262  -8.263  10.384
  414    H    LEU  58           H        LEU  58   3.019 -10.433   9.041
  415    HA   LEU  58           HA       LEU  58   1.986  -9.016   6.739
  416   1HB   LEU  58          1HB       LEU  58   4.400  -9.880   7.164
  417   2HB   LEU  58          2HB       LEU  58   3.864 -11.438   6.570
  418    HG   LEU  58           HG       LEU  58   3.064  -9.985   4.422
  419   1HD1  LEU  58          1HD1      LEU  58   6.038 -10.697   4.816
  420   2HD1  LEU  58          2HD1      LEU  58   4.780 -11.900   4.496
  421   3HD1  LEU  58          3HD1      LEU  58   5.133 -10.645   3.282
  422   1HD2  LEU  58          1HD2      LEU  58   4.562  -8.087   3.910
  423   2HD2  LEU  58          2HD2      LEU  58   3.764  -7.762   5.470
  424   3HD2  LEU  58          3HD2      LEU  58   5.450  -8.311   5.438
  425    H    ASP  59           H        ASP  59   1.546 -12.327   7.861
  426    HA   ASP  59           HA       ASP  59   0.322 -13.450   5.440
  427   1HB   ASP  59          1HB       ASP  59   0.486 -14.407   8.323
  428   2HB   ASP  59          2HB       ASP  59  -0.656 -15.178   7.245
  429    H    ALA  60           H        ALA  60  -0.977 -11.927   8.371
  430    HA   ALA  60           HA       ALA  60  -3.852 -12.336   7.885
  431   1HB   ALA  60          1HB       ALA  60  -4.189 -10.518   9.552
  432   2HB   ALA  60          2HB       ALA  60  -2.994 -11.701  10.117
  433   3HB   ALA  60          3HB       ALA  60  -2.456 -10.114   9.510
  434    H    ILE  61           H        ILE  61  -1.523  -9.810   6.980
  435    HA   ILE  61           HA       ILE  61  -3.178  -7.819   5.830
  436    HB   ILE  61           HB       ILE  61  -0.321  -8.581   5.430
  437   1HG1  ILE  61          1HG1      ILE  61  -1.573  -5.772   5.690
  438   2HG1  ILE  61          2HG1      ILE  61  -1.259  -6.786   7.081
  439   1HG2  ILE  61          1HG2      ILE  61   0.048  -7.059   3.471
  440   2HG2  ILE  61          2HG2      ILE  61  -1.001  -8.404   3.025
  441   3HG2  ILE  61          3HG2      ILE  61  -1.708  -6.798   3.320
  442   1HD1  ILE  61          1HD1      ILE  61   0.923  -5.735   5.186
  443   2HD1  ILE  61          2HD1      ILE  61   0.588  -5.221   6.854
  444   3HD1  ILE  61          3HD1      ILE  61   1.206  -6.861   6.543
  445    H    ILE  62           H        ILE  62  -2.156 -10.950   4.593
  446    HA   ILE  62           HA       ILE  62  -2.952 -10.585   1.766
  447    HB   ILE  62           HB       ILE  62  -2.291 -13.090   3.382
  448   1HG1  ILE  62          1HG1      ILE  62  -0.513 -11.242   2.398
  449   2HG1  ILE  62          2HG1      ILE  62  -0.712 -12.189   0.939
  450   1HG2  ILE  62          1HG2      ILE  62  -2.384 -14.424   1.260
  451   2HG2  ILE  62          2HG2      ILE  62  -3.973 -13.764   1.641
  452   3HG2  ILE  62          3HG2      ILE  62  -2.988 -13.004   0.370
  453   1HD1  ILE  62          1HD1      ILE  62   0.067 -14.270   2.035
  454   2HD1  ILE  62          2HD1      ILE  62   1.246 -12.962   2.263
  455   3HD1  ILE  62          3HD1      ILE  62   0.178 -13.430   3.606
  456    H    GLU  63           H        GLU  63  -4.510 -11.834   4.681
  457    HA   GLU  63           HA       GLU  63  -6.894 -12.973   3.386
  458   1HB   GLU  63          1HB       GLU  63  -5.973 -13.557   5.704
  459   2HB   GLU  63          2HB       GLU  63  -6.703 -12.083   6.309
  460   1HG   GLU  63          1HG       GLU  63  -8.025 -14.673   5.458
  461   2HG   GLU  63          2HG       GLU  63  -8.922 -13.209   5.089
  462    H    GLU  64           H        GLU  64  -6.034  -9.764   4.501
  463    HA   GLU  64           HA       GLU  64  -8.869  -8.734   4.454
  464   1HB   GLU  64          1HB       GLU  64  -6.963  -8.126   6.173
  465   2HB   GLU  64          2HB       GLU  64  -6.423  -6.988   4.954
  466   1HG   GLU  64          1HG       GLU  64  -8.888  -6.036   4.989
  467   2HG   GLU  64          2HG       GLU  64  -9.115  -6.995   6.442
  468    H    VAL  65           H        VAL  65  -5.950  -8.619   2.509
  469    HA   VAL  65           HA       VAL  65  -6.872  -6.328   0.786
  470    HB   VAL  65           HB       VAL  65  -4.772  -6.503  -0.422
  471   1HG1  VAL  65          1HG1      VAL  65  -3.959  -8.950   1.276
  472   2HG1  VAL  65          2HG1      VAL  65  -4.562  -9.063  -0.388
  473   3HG1  VAL  65          3HG1      VAL  65  -3.043  -8.198  -0.053
  474   1HG2  VAL  65          1HG2      VAL  65  -3.190  -5.865   1.332
  475   2HG2  VAL  65          2HG2      VAL  65  -4.795  -5.332   1.886
  476   3HG2  VAL  65          3HG2      VAL  65  -4.070  -6.792   2.572
  477    H    ASP  66           H        ASP  66  -6.007  -9.776   0.276
  478    HA   ASP  66           HA       ASP  66  -7.435  -9.800  -2.392
  479   1HB   ASP  66          1HB       ASP  66  -5.678 -11.972  -1.110
  480   2HB   ASP  66          2HB       ASP  66  -5.130 -10.756  -2.241
  481    H    GLU  67           H        GLU  67  -9.186  -9.419  -0.404
  482    HA   GLU  67           HA       GLU  67 -10.572 -11.991   0.346
  483   1HB   GLU  67          1HB       GLU  67 -10.890 -10.457   2.045
  484   2HB   GLU  67          2HB       GLU  67 -11.012  -9.076   0.973
  485   1HG   GLU  67          1HG       GLU  67 -13.345 -10.099   0.227
  486   2HG   GLU  67          2HG       GLU  67 -13.191 -11.140   1.633
  487    H    ASP  68           H        ASP  68 -11.101  -9.178  -1.780
  488    HA   ASP  68           HA       ASP  68 -12.424 -10.877  -3.886
  489   1HB   ASP  68          1HB       ASP  68 -14.340 -10.391  -2.358
  490   2HB   ASP  68          2HB       ASP  68 -14.556  -9.780  -3.982
  491    H    GLY  69           H        GLY  69 -10.011  -9.362  -3.651
  492   1HA   GLY  69          1HA       GLY  69 -10.457  -6.915  -5.461
  493   2HA   GLY  69          2HA       GLY  69  -9.060  -7.115  -4.399
  494    H    SER  70           H        SER  70  -7.313  -8.199  -5.066
  495    HA   SER  70           HA       SER  70  -7.259 -10.015  -7.461
  496   1HB   SER  70          1HB       SER  70  -7.230  -7.425  -8.201
  497   2HB   SER  70          2HB       SER  70  -5.508  -7.573  -7.837
  498    HG   SER  70           HG       SER  70  -6.662  -9.661  -9.265
  499    H    GLY  71           H        GLY  71  -4.675 -10.126  -8.041
  500   1HA   GLY  71          1HA       GLY  71  -3.358 -11.093  -5.461
  501   2HA   GLY  71          2HA       GLY  71  -2.912 -11.604  -7.092
  502    H    THR  72           H        THR  72  -3.466  -8.258  -6.151
  503    HA   THR  72           HA       THR  72  -0.539  -7.583  -6.015
  504    HB   THR  72           HB       THR  72  -0.861  -5.720  -7.798
  505    HG1  THR  72           HG1      THR  72  -2.344  -6.089  -9.297
  506   1HG2  THR  72          1HG2      THR  72   0.498  -8.049  -8.069
  507   2HG2  THR  72          2HG2      THR  72  -0.781  -8.380  -9.257
  508   3HG2  THR  72          3HG2      THR  72   0.261  -6.944  -9.441
  509    H    ILE  73           H        ILE  73  -0.282  -5.183  -5.618
  510    HA   ILE  73           HA       ILE  73  -2.655  -3.894  -4.293
  511    HB   ILE  73           HB       ILE  73  -1.296  -5.293  -2.575
  512   1HG1  ILE  73          1HG1      ILE  73  -2.518  -4.195  -1.023
  513   2HG1  ILE  73          2HG1      ILE  73  -3.070  -3.203  -2.360
  514   1HG2  ILE  73          1HG2      ILE  73   0.568  -4.207  -1.378
  515   2HG2  ILE  73          2HG2      ILE  73   1.016  -4.401  -3.079
  516   3HG2  ILE  73          3HG2      ILE  73   0.525  -2.802  -2.469
  517   1HD1  ILE  73          1HD1      ILE  73  -1.251  -2.419  -0.100
  518   2HD1  ILE  73          2HD1      ILE  73  -0.799  -1.777  -1.694
  519   3HD1  ILE  73          3HD1      ILE  73  -2.418  -1.443  -1.033
  520    H    ASP  74           H        ASP  74  -2.588  -1.677  -4.289
  521    HA   ASP  74           HA       ASP  74  -0.459  -0.418  -6.104
  522   1HB   ASP  74          1HB       ASP  74  -1.948   0.764  -7.259
  523   2HB   ASP  74          2HB       ASP  74  -2.819   1.239  -5.831
  524    H    PHE  75           H        PHE  75  -0.990   2.204  -5.645
  525    HA   PHE  75           HA       PHE  75   0.541   2.588  -3.111
  526   1HB   PHE  75          1HB       PHE  75  -0.298   4.857  -4.986
  527   2HB   PHE  75          2HB       PHE  75   0.943   3.731  -5.471
  528    HD1  PHE  75           HD1      PHE  75   1.866   6.410  -5.382
  529    HD2  PHE  75           HD2      PHE  75   1.458   3.734  -2.036
  530    HE1  PHE  75           HE1      PHE  75   3.321   7.862  -4.030
  531    HE2  PHE  75           HE2      PHE  75   2.910   5.206  -0.697
  532    HZ   PHE  75           HZ       PHE  75   3.870   7.248  -1.699
  533    H    GLU  76           H        GLU  76  -2.677   3.196  -4.375
  534    HA   GLU  76           HA       GLU  76  -3.648   5.120  -2.389
  535   1HB   GLU  76          1HB       GLU  76  -5.093   3.236  -4.301
  536   2HB   GLU  76          2HB       GLU  76  -5.987   4.165  -3.115
  537   1HG   GLU  76          1HG       GLU  76  -6.004   5.353  -5.267
  538   2HG   GLU  76          2HG       GLU  76  -5.121   6.313  -4.092
  539    H    GLU  77           H        GLU  77  -4.704   1.730  -2.733
  540    HA   GLU  77           HA       GLU  77  -5.693   1.200  -0.099
  541   1HB   GLU  77          1HB       GLU  77  -4.703  -1.262  -0.608
  542   2HB   GLU  77          2HB       GLU  77  -4.504  -0.599  -2.218
  543   1HG   GLU  77          1HG       GLU  77  -7.153  -0.831  -0.653
  544   2HG   GLU  77          2HG       GLU  77  -7.019   0.039  -2.172
  545    H    PHE  78           H        PHE  78  -2.387   1.350  -1.289
  546    HA   PHE  78           HA       PHE  78  -0.965   0.049   0.875
  547   1HB   PHE  78          1HB       PHE  78   0.341   0.377  -1.040
  548   2HB   PHE  78          2HB       PHE  78  -0.170   2.027  -1.282
  549    HD1  PHE  78           HD1      PHE  78   0.984   0.935   2.111
  550    HD2  PHE  78           HD2      PHE  78   2.160   2.816  -1.575
  551    HE1  PHE  78           HE1      PHE  78   3.124   1.608   3.124
  552    HE2  PHE  78           HE2      PHE  78   4.354   3.350  -0.590
  553    HZ   PHE  78           HZ       PHE  78   4.838   2.751   1.758
  554    H    LEU  79           H        LEU  79  -1.800   3.478   0.358
  555    HA   LEU  79           HA       LEU  79  -0.627   4.557   2.852
  556   1HB   LEU  79          1HB       LEU  79  -2.240   6.533   2.381
  557   2HB   LEU  79          2HB       LEU  79  -2.770   5.668   0.955
  558    HG   LEU  79           HG       LEU  79  -0.579   5.841  -0.110
  559   1HD1  LEU  79          1HD1      LEU  79  -0.293   8.318  -0.274
  560   2HD1  LEU  79          2HD1      LEU  79  -2.014   7.887  -0.274
  561   3HD1  LEU  79          3HD1      LEU  79  -1.268   8.555   1.199
  562   1HD2  LEU  79          1HD2      LEU  79   0.506   7.030   2.531
  563   2HD2  LEU  79          2HD2      LEU  79   0.930   5.444   1.840
  564   3HD2  LEU  79          3HD2      LEU  79   1.404   6.925   0.995
  565    H    VAL  80           H        VAL  80  -3.706   3.137   1.914
  566    HA   VAL  80           HA       VAL  80  -5.339   3.971   4.188
  567    HB   VAL  80           HB       VAL  80  -5.686   1.597   2.294
  568   1HG1  VAL  80          1HG1      VAL  80  -8.029   1.376   3.147
  569   2HG1  VAL  80          2HG1      VAL  80  -6.860   1.023   4.427
  570   3HG1  VAL  80          3HG1      VAL  80  -7.703   2.589   4.412
  571   1HG2  VAL  80          1HG2      VAL  80  -7.227   4.271   2.426
  572   2HG2  VAL  80          2HG2      VAL  80  -6.008   3.849   1.200
  573   3HG2  VAL  80          3HG2      VAL  80  -7.523   2.937   1.284
  574    H    MET  81           H        MET  81  -3.133   1.281   3.616
  575    HA   MET  81           HA       MET  81  -3.847  -0.342   5.990
  576   1HB   MET  81          1HB       MET  81  -2.518  -0.975   3.714
  577   2HB   MET  81          2HB       MET  81  -2.412  -1.909   5.195
  578   1HG   MET  81          1HG       MET  81  -0.369   0.322   4.856
  579   2HG   MET  81          2HG       MET  81  -0.211  -1.106   3.821
  580   1HE   MET  81          1HE       MET  81   2.061  -3.062   5.887
  581   2HE   MET  81          2HE       MET  81   1.626  -2.238   4.360
  582   3HE   MET  81          3HE       MET  81   2.440  -1.325   5.664
  583    H    MET  82           H        MET  82  -1.446   2.142   5.241
  584    HA   MET  82           HA       MET  82   0.253   1.852   7.616
  585   1HB   MET  82          1HB       MET  82   1.205   4.064   7.041
  586   2HB   MET  82          2HB       MET  82  -0.120   4.398   5.941
  587   1HG   MET  82          1HG       MET  82   0.767   2.063   4.784
  588   2HG   MET  82          2HG       MET  82   1.384   3.666   4.353
  589   1HE   MET  82          1HE       MET  82   3.169   4.895   5.744
  590   2HE   MET  82          2HE       MET  82   3.328   4.213   7.390
  591   3HE   MET  82          3HE       MET  82   4.691   4.088   6.239
  592    H    VAL  83           H        VAL  83  -2.289   4.236   6.806
  593    HA   VAL  83           HA       VAL  83  -2.418   5.635   9.353
  594    HB   VAL  83           HB       VAL  83  -4.391   5.356   7.070
  595   1HG1  VAL  83          1HG1      VAL  83  -3.159   7.894   8.311
  596   2HG1  VAL  83          2HG1      VAL  83  -2.403   7.001   6.984
  597   3HG1  VAL  83          3HG1      VAL  83  -4.004   7.740   6.749
  598   1HG2  VAL  83          1HG2      VAL  83  -6.071   6.775   8.128
  599   2HG2  VAL  83          2HG2      VAL  83  -5.794   5.415   9.240
  600   3HG2  VAL  83          3HG2      VAL  83  -5.078   6.994   9.592
  601    NH1  ARG  84           NH1      ARG  84  -9.843   0.664   6.446
  602    NH2  ARG  84           NH2      ARG  84  -9.135  -1.271   5.492
  603    H    ARG  84           H        ARG  84  -3.887   2.654   8.163
  604    HA   ARG  84           HA       ARG  84  -5.866   2.056  10.229
  605   1HB   ARG  84          1HB       ARG  84  -4.302  -0.294   9.209
  606   2HB   ARG  84          2HB       ARG  84  -4.952   0.749   7.951
  607   1HG   ARG  84          1HG       ARG  84  -6.414  -1.262   8.863
  608   2HG   ARG  84          2HG       ARG  84  -6.789  -0.191  10.214
  609   1HD   ARG  84          1HD       ARG  84  -8.528   0.499   8.850
  610   2HD   ARG  84          2HD       ARG  84  -7.307   1.577   8.176
  611    HE   ARG  84           HE       ARG  84  -6.923  -0.516   6.472
  612   1HH1  ARG  84          1HH1      ARG  84 -10.008  -1.234   4.955
  613   2HH1  ARG  84          2HH1      ARG  84  -8.423  -2.010   5.459
  614   1HH2  ARG  84          1HH2      ARG  84  -9.689   1.383   7.162
  615   2HH2  ARG  84          2HH2      ARG  84 -10.650   0.588   5.816
  616    H    GLN  85           H        GLN  85  -2.391   1.246   9.982
  617    HA   GLN  85           HA       GLN  85  -2.143  -0.324  12.435
  618   1HB   GLN  85          1HB       GLN  85  -0.442   0.148  10.361
  619   2HB   GLN  85          2HB       GLN  85   0.219   1.315  11.494
  620   1HG   GLN  85          1HG       GLN  85   1.523  -0.462  12.122
  621   2HG   GLN  85          2HG       GLN  85   0.187  -0.782  13.207
  622   1HE2  GLN  85          1HE2      GLN  85  -0.917  -3.301  10.395
  623   2HE2  GLN  85          2HE2      GLN  85  -1.598  -1.690  10.950
  624    H    MET  86           H        MET  86  -1.393   3.099  11.746
  625    HA   MET  86           HA       MET  86  -0.391   3.934  14.318
  626   1HB   MET  86          1HB       MET  86  -1.264   5.291  11.870
  627   2HB   MET  86          2HB       MET  86  -1.855   6.171  13.268
  628   1HG   MET  86          1HG       MET  86   0.970   5.434  13.712
  629   2HG   MET  86          2HG       MET  86   0.782   6.255  12.154
  630   1HE   MET  86          1HE       MET  86   2.024   9.023  14.713
  631   2HE   MET  86          2HE       MET  86   1.972   7.437  15.539
  632   3HE   MET  86          3HE       MET  86   2.555   7.544  13.852
  633    H    LYS  87           H        LYS  87  -3.693   3.643  13.095
  634    HA   LYS  87           HA       LYS  87  -5.160   4.916  15.305
  635   1HB   LYS  87          1HB       LYS  87  -6.014   4.069  12.915
  636   2HB   LYS  87          2HB       LYS  87  -6.345   2.566  13.750
  637   1HG   LYS  87          1HG       LYS  87  -8.132   3.443  14.947
  638   2HG   LYS  87          2HG       LYS  87  -8.222   4.417  13.493
  639   1HD   LYS  87          1HD       LYS  87  -7.317   5.248  16.295
  640   2HD   LYS  87          2HD       LYS  87  -6.660   6.104  14.909
  641   1HE   LYS  87          1HE       LYS  87  -8.722   7.060  14.278
  642   2HE   LYS  87          2HE       LYS  87  -9.693   5.783  15.013
  643   1HZ   LYS  87          1HZ       LYS  87  -9.402   6.715  17.127
  644   2HZ   LYS  87          2HZ       LYS  87  -8.064   7.589  16.711
  645   3HZ   LYS  87          3HZ       LYS  87  -9.554   8.053  16.170
  646    H    GLU  88           H        GLU  88  -4.231   1.532  14.627
  647    HA   GLU  88           HA       GLU  88  -3.729  -0.312  16.092
  648   1HB   GLU  88          1HB       GLU  88  -2.664   1.712  17.458
  649   2HB   GLU  88          2HB       GLU  88  -4.017   1.461  18.542
  650   1HG   GLU  88          1HG       GLU  88  -2.383  -1.000  17.798
  651   2HG   GLU  88          2HG       GLU  88  -1.607   0.198  18.820
  652    H    ASP  89           H        ASP  89  -5.928  -0.718  15.165
  653    HA   ASP  89           HA       ASP  89  -8.395  -0.263  16.737
  654   1HB   ASP  89          1HB       ASP  89  -7.934  -1.007  14.099
  655   2HB   ASP  89          2HB       ASP  89  -8.447  -2.533  14.784
  656    H    ALA  90           H        ALA  90  -6.147  -2.973  16.298
  657    HA   ALA  90           HA       ALA  90  -6.854  -4.235  18.933
  658   1HB   ALA  90          1HB       ALA  90  -7.292  -6.185  16.663
  659   2HB   ALA  90          2HB       ALA  90  -8.090  -6.085  18.245
  660   3HB   ALA  90          3HB       ALA  90  -8.598  -5.003  16.925
   
  Start of MODEL          12
 Raw file had  660 H/Q atoms
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1 -22.867   1.197   1.971
    2   2H    ALA   1          2H        ALA   1 -23.182   2.775   1.481
    3   3H    ALA   1          3H        ALA   1 -23.901   1.486   0.676
    4    HA   ALA   1           HA       ALA   1 -22.180   1.064  -0.598
    5   1HB   ALA   1          1HB       ALA   1 -22.249   3.282  -1.303
    6   2HB   ALA   1          2HB       ALA   1 -21.936   3.949   0.311
    7   3HB   ALA   1          3HB       ALA   1 -20.590   3.292  -0.657
    8    H    SER   2           H        SER   2 -21.027   2.514   2.454
    9    HA   SER   2           HA       SER   2 -19.358   1.776   4.037
   10   1HB   SER   2          1HB       SER   2 -20.258  -0.563   3.089
   11   2HB   SER   2          2HB       SER   2 -18.657  -0.645   2.349
   12    HG   SER   2           HG       SER   2 -18.992  -1.457   4.572
   13    H    MET   3           H        MET   3 -17.570   2.911   4.109
   14    HA   MET   3           HA       MET   3 -15.591   4.135   3.474
   15   1HB   MET   3          1HB       MET   3 -13.860   2.843   2.178
   16   2HB   MET   3          2HB       MET   3 -15.028   1.567   1.887
   17   1HG   MET   3          1HG       MET   3 -13.240   1.520   3.966
   18   2HG   MET   3          2HG       MET   3 -14.595   2.300   4.798
   19   1HE   MET   3          1HE       MET   3 -15.226  -1.049   6.252
   20   2HE   MET   3          2HE       MET   3 -13.649  -1.261   5.435
   21   3HE   MET   3          3HE       MET   3 -14.036   0.291   6.235
   22    H    THR   4           H        THR   4 -17.850   4.891   2.226
   23    HA   THR   4           HA       THR   4 -18.053   4.976  -0.643
   24    HB   THR   4           HB       THR   4 -18.744   7.155   1.383
   25    HG1  THR   4           HG1      THR   4 -20.739   5.972   0.041
   26   1HG2  THR   4          1HG2      THR   4 -20.198   8.209  -0.307
   27   2HG2  THR   4          2HG2      THR   4 -18.512   8.278  -0.869
   28   3HG2  THR   4          3HG2      THR   4 -19.642   7.094  -1.575
   29    H    ASP   5           H        ASP   5 -15.792   6.511   1.545
   30    HA   ASP   5           HA       ASP   5 -13.901   7.215  -0.625
   31   1HB   ASP   5          1HB       ASP   5 -15.816   9.224  -0.228
   32   2HB   ASP   5          2HB       ASP   5 -14.501   9.770   0.787
   33    H    GLN   6           H        GLN   6 -13.341   5.551   1.180
   34    HA   GLN   6           HA       GLN   6 -12.002   6.740   3.624
   35   1HB   GLN   6          1HB       GLN   6 -13.113   4.257   3.200
   36   2HB   GLN   6          2HB       GLN   6 -11.441   3.896   2.806
   37   1HG   GLN   6          1HG       GLN   6 -10.647   4.341   4.997
   38   2HG   GLN   6          2HG       GLN   6 -12.156   3.488   5.247
   39   1HE2  GLN   6          1HE2      GLN   6 -13.839   6.472   6.595
   40   2HE2  GLN   6          2HE2      GLN   6 -14.100   4.864   5.752
   41    H    GLN   7           H        GLN   7 -11.244   5.489   0.414
   42    HA   GLN   7           HA       GLN   7  -8.405   5.262   0.357
   43   1HB   GLN   7          1HB       GLN   7  -9.616   6.770  -1.968
   44   2HB   GLN   7          2HB       GLN   7  -8.467   5.443  -1.946
   45   1HG   GLN   7          1HG       GLN   7 -11.510   5.285  -1.649
   46   2HG   GLN   7          2HG       GLN   7 -10.512   4.591  -2.910
   47   1HE2  GLN   7          1HE2      GLN   7  -9.259   2.105  -0.219
   48   2HE2  GLN   7          2HE2      GLN   7  -8.478   3.392  -1.269
   49    H    ALA   8           H        ALA   8 -10.319   8.247  -0.183
   50    HA   ALA   8           HA       ALA   8  -7.927  10.022  -0.316
   51   1HB   ALA   8          1HB       ALA   8 -10.049  11.769  -0.094
   52   2HB   ALA   8          2HB       ALA   8  -9.512  11.030  -1.615
   53   3HB   ALA   8          3HB       ALA   8 -10.886  10.330  -0.723
   54    H    GLU   9           H        GLU   9 -10.259   9.018   2.110
   55    HA   GLU   9           HA       GLU   9 -10.189  11.078   4.076
   56   1HB   GLU   9          1HB       GLU   9 -10.755   8.150   4.166
   57   2HB   GLU   9          2HB       GLU   9 -10.225   8.817   5.698
   58   1HG   GLU   9          1HG       GLU   9 -12.496  10.166   4.124
   59   2HG   GLU   9          2HG       GLU   9 -12.808   8.746   5.109
   60    H    ALA  10           H        ALA  10  -7.893   8.397   3.592
   61    HA   ALA  10           HA       ALA  10  -6.216   8.786   5.947
   62   1HB   ALA  10          1HB       ALA  10  -4.541   7.375   4.763
   63   2HB   ALA  10          2HB       ALA  10  -6.171   6.689   4.627
   64   3HB   ALA  10          3HB       ALA  10  -5.442   7.530   3.235
   65    NH1  ARG  11           NH1      ARG  11  -4.873  13.367  -3.637
   66    NH2  ARG  11           NH2      ARG  11  -7.100  13.225  -3.209
   67    H    ARG  11           H        ARG  11  -6.096  10.130   2.670
   68    HA   ARG  11           HA       ARG  11  -3.468  11.385   2.683
   69   1HB   ARG  11          1HB       ARG  11  -4.376  11.326   0.537
   70   2HB   ARG  11          2HB       ARG  11  -5.992  11.759   1.074
   71   1HG   ARG  11          1HG       ARG  11  -5.589  14.071   1.066
   72   2HG   ARG  11          2HG       ARG  11  -3.855  13.902   1.349
   73   1HD   ARG  11          1HD       ARG  11  -3.937  12.695  -1.104
   74   2HD   ARG  11          2HD       ARG  11  -3.715  14.432  -0.909
   75    HE   ARG  11           HE       ARG  11  -6.474  14.346  -1.069
   76   1HH1  ARG  11          1HH1      ARG  11  -5.115  13.054  -4.584
   77   2HH1  ARG  11          2HH1      ARG  11  -3.936  13.591  -3.285
   78   1HH2  ARG  11          1HH2      ARG  11  -7.858  13.306  -2.523
   79   2HH2  ARG  11          2HH2      ARG  11  -7.189  12.956  -4.195
   80    H    ALA  12           H        ALA  12  -6.620  12.430   3.876
   81    HA   ALA  12           HA       ALA  12  -6.119  15.267   4.301
   82   1HB   ALA  12          1HB       ALA  12  -8.058  15.229   5.856
   83   2HB   ALA  12          2HB       ALA  12  -8.406  14.320   4.372
   84   3HB   ALA  12          3HB       ALA  12  -8.042  13.449   5.882
   85    H    PHE  13           H        PHE  13  -5.365  12.409   6.221
   86    HA   PHE  13           HA       PHE  13  -4.716  13.757   8.756
   87   1HB   PHE  13          1HB       PHE  13  -3.745  10.991   7.824
   88   2HB   PHE  13          2HB       PHE  13  -5.343  11.285   8.460
   89    HD1  PHE  13           HD1      PHE  13  -5.679  11.619  10.903
   90    HD2  PHE  13           HD2      PHE  13  -1.690  11.281   9.319
   91    HE1  PHE  13           HE1      PHE  13  -4.802  11.209  13.166
   92    HE2  PHE  13           HE2      PHE  13  -0.832  10.889  11.590
   93    HZ   PHE  13           HZ       PHE  13  -2.385  10.816  13.511
   94    H    LEU  14           H        LEU  14  -2.657  12.252   6.245
   95    HA   LEU  14           HA       LEU  14  -0.118  13.410   7.316
   96   1HB   LEU  14          1HB       LEU  14   0.201  11.289   6.345
   97   2HB   LEU  14          2HB       LEU  14   0.896  12.405   5.189
   98    HG   LEU  14           HG       LEU  14  -1.903  11.145   4.898
   99   1HD1  LEU  14          1HD1      LEU  14   0.681  10.363   3.404
  100   2HD1  LEU  14          2HD1      LEU  14  -0.002   9.448   4.762
  101   3HD1  LEU  14          3HD1      LEU  14  -0.921   9.599   3.243
  102   1HD2  LEU  14          1HD2      LEU  14  -1.920  12.016   2.598
  103   2HD2  LEU  14          2HD2      LEU  14  -1.563  13.385   3.680
  104   3HD2  LEU  14          3HD2      LEU  14  -0.255  12.632   2.754
  105    H    SER  15           H        SER  15   1.247  14.828   6.112
  106    HA   SER  15           HA       SER  15  -0.126  17.201   4.975
  107   1HB   SER  15          1HB       SER  15   2.443  17.850   4.538
  108   2HB   SER  15          2HB       SER  15   2.748  16.494   5.627
  109    HG   SER  15           HG       SER  15   2.318  18.755   6.442
  110    H    GLU  16           H        GLU  16   0.772  18.182   2.910
  111    HA   GLU  16           HA       GLU  16   0.243  16.340   0.629
  112   1HB   GLU  16          1HB       GLU  16   1.207  19.165   0.145
  113   2HB   GLU  16          2HB       GLU  16  -0.318  18.961   0.984
  114   1HG   GLU  16          1HG       GLU  16  -1.170  17.544  -0.972
  115   2HG   GLU  16          2HG       GLU  16   0.347  17.828  -1.809
  116    H    GLU  17           H        GLU  17   3.008  17.961   2.067
  117    HA   GLU  17           HA       GLU  17   4.922  17.340  -0.162
  118   1HB   GLU  17          1HB       GLU  17   5.599  18.416   2.625
  119   2HB   GLU  17          2HB       GLU  17   6.679  18.341   1.246
  120   1HG   GLU  17          1HG       GLU  17   5.807  20.257   0.271
  121   2HG   GLU  17          2HG       GLU  17   4.148  19.860   0.685
  122    H    MET  18           H        MET  18   4.025  16.059   2.993
  123    HA   MET  18           HA       MET  18   6.152  14.139   3.459
  124   1HB   MET  18          1HB       MET  18   4.464  14.731   5.196
  125   2HB   MET  18          2HB       MET  18   3.201  13.924   4.285
  126   1HG   MET  18          1HG       MET  18   3.798  11.823   5.037
  127   2HG   MET  18          2HG       MET  18   5.534  12.132   4.872
  128   1HE   MET  18          1HE       MET  18   5.780  10.784   7.685
  129   2HE   MET  18          2HE       MET  18   4.333  11.140   8.673
  130   3HE   MET  18          3HE       MET  18   4.143  10.502   7.013
  131    H    ILE  19           H        ILE  19   3.246  14.031   1.469
  132    HA   ILE  19           HA       ILE  19   3.127  11.235   0.729
  133    HB   ILE  19           HB       ILE  19   2.367  13.670  -0.961
  134   1HG1  ILE  19          1HG1      ILE  19   0.780  11.896   0.980
  135   2HG1  ILE  19          2HG1      ILE  19   0.898  13.642   0.948
  136   1HG2  ILE  19          1HG2      ILE  19   1.065  12.112  -2.427
  137   2HG2  ILE  19          2HG2      ILE  19   2.779  11.702  -2.471
  138   3HG2  ILE  19          3HG2      ILE  19   1.662  10.709  -1.506
  139   1HD1  ILE  19          1HD1      ILE  19  -0.681  11.982  -1.103
  140   2HD1  ILE  19          2HD1      ILE  19  -1.325  13.024   0.183
  141   3HD1  ILE  19          3HD1      ILE  19  -0.449  13.750  -1.186
  142    H    ALA  20           H        ALA  20   5.029  13.936  -0.590
  143    HA   ALA  20           HA       ALA  20   6.219  12.837  -2.911
  144   1HB   ALA  20          1HB       ALA  20   8.024  14.443  -1.074
  145   2HB   ALA  20          2HB       ALA  20   7.770  14.582  -2.824
  146   3HB   ALA  20          3HB       ALA  20   6.542  15.208  -1.695
  147    H    GLU  21           H        GLU  21   7.123  12.303   0.476
  148    HA   GLU  21           HA       GLU  21   9.619  10.791  -0.081
  149   1HB   GLU  21          1HB       GLU  21   8.239  10.579   2.605
  150   2HB   GLU  21          2HB       GLU  21   8.807  12.156   2.096
  151   1HG   GLU  21          1HG       GLU  21  10.640  11.343   3.338
  152   2HG   GLU  21          2HG       GLU  21  10.410   9.680   2.826
  153    H    PHE  22           H        PHE  22   6.284   9.983   0.829
  154    HA   PHE  22           HA       PHE  22   6.468   7.173   1.348
  155   1HB   PHE  22          1HB       PHE  22   4.024   7.086   0.362
  156   2HB   PHE  22          2HB       PHE  22   4.179   8.807   0.126
  157    HD1  PHE  22           HD1      PHE  22   5.877   9.379   2.730
  158    HD2  PHE  22           HD2      PHE  22   2.318   7.052   2.060
  159    HE1  PHE  22           HE1      PHE  22   5.169   9.774   5.051
  160    HE2  PHE  22           HE2      PHE  22   1.626   7.463   4.385
  161    HZ   PHE  22           HZ       PHE  22   3.048   8.817   5.885
  162    H    LYS  23           H        LYS  23   5.751   8.778  -1.765
  163    HA   LYS  23           HA       LYS  23   5.664   6.334  -3.409
  164   1HB   LYS  23          1HB       LYS  23   4.664   8.677  -3.956
  165   2HB   LYS  23          2HB       LYS  23   5.293   7.702  -5.268
  166   1HG   LYS  23          1HG       LYS  23   7.312   9.575  -4.076
  167   2HG   LYS  23          2HG       LYS  23   7.018   9.164  -5.755
  168   1HD   LYS  23          1HD       LYS  23   6.240  11.569  -4.340
  169   2HD   LYS  23          2HD       LYS  23   6.061  11.179  -6.042
  170   1HE   LYS  23          1HE       LYS  23   3.980  10.449  -3.890
  171   2HE   LYS  23          2HE       LYS  23   3.872  11.843  -4.967
  172   1HZ   LYS  23          1HZ       LYS  23   4.238   9.230  -6.247
  173   2HZ   LYS  23          2HZ       LYS  23   2.776   9.505  -5.528
  174   3HZ   LYS  23          3HZ       LYS  23   3.313  10.514  -6.720
  175    H    ALA  24           H        ALA  24   8.182   8.619  -2.475
  176    HA   ALA  24           HA       ALA  24  10.378   8.085  -4.170
  177   1HB   ALA  24          1HB       ALA  24  11.879   8.598  -2.254
  178   2HB   ALA  24          2HB       ALA  24  10.500   9.712  -2.305
  179   3HB   ALA  24          3HB       ALA  24  10.536   8.394  -1.105
  180    H    ALA  25           H        ALA  25   9.461   6.202  -1.269
  181    HA   ALA  25           HA       ALA  25  11.550   4.106  -1.678
  182   1HB   ALA  25          1HB       ALA  25  10.567   3.044   0.346
  183   2HB   ALA  25          2HB       ALA  25  10.878   4.769   0.613
  184   3HB   ALA  25          3HB       ALA  25   9.213   4.199   0.334
  185    H    PHE  26           H        PHE  26   8.120   4.520  -2.330
  186    HA   PHE  26           HA       PHE  26   7.203   1.863  -2.858
  187   1HB   PHE  26          1HB       PHE  26   6.402   4.324  -4.519
  188   2HB   PHE  26          2HB       PHE  26   5.830   4.041  -2.896
  189    HD1  PHE  26           HD1      PHE  26   6.336   1.345  -5.507
  190    HD2  PHE  26           HD2      PHE  26   3.472   3.748  -3.378
  191    HE1  PHE  26           HE1      PHE  26   4.495   0.021  -6.467
  192    HE2  PHE  26           HE2      PHE  26   1.642   2.454  -4.398
  193    HZ   PHE  26           HZ       PHE  26   2.150   0.559  -5.900
  194    H    ASP  27           H        ASP  27   9.124   4.055  -4.863
  195    HA   ASP  27           HA       ASP  27   9.028   2.440  -7.344
  196   1HB   ASP  27          1HB       ASP  27   9.539   5.031  -7.056
  197   2HB   ASP  27          2HB       ASP  27  11.196   4.520  -6.831
  198    H    MET  28           H        MET  28  11.199   2.708  -4.585
  199    HA   MET  28           HA       MET  28  13.604   1.466  -5.521
  200   1HB   MET  28          1HB       MET  28  13.671   0.442  -3.020
  201   2HB   MET  28          2HB       MET  28  12.330   1.544  -2.770
  202   1HG   MET  28          1HG       MET  28  15.110   2.403  -3.801
  203   2HG   MET  28          2HG       MET  28  13.749   3.493  -3.491
  204   1HE   MET  28          1HE       MET  28  16.515   1.218  -2.138
  205   2HE   MET  28          2HE       MET  28  16.383   1.310  -0.357
  206   3HE   MET  28          3HE       MET  28  15.254   0.278  -1.282
  207    H    PHE  29           H        PHE  29  10.531   0.024  -4.569
  208    HA   PHE  29           HA       PHE  29  11.493  -2.825  -4.915
  209   1HB   PHE  29          1HB       PHE  29   8.752  -1.656  -4.140
  210   2HB   PHE  29          2HB       PHE  29   8.963  -3.343  -4.521
  211    HD1  PHE  29           HD1      PHE  29  11.524  -1.316  -2.638
  212    HD2  PHE  29           HD2      PHE  29   8.421  -4.288  -2.366
  213    HE1  PHE  29           HE1      PHE  29  12.220  -1.850  -0.338
  214    HE2  PHE  29           HE2      PHE  29   9.129  -4.799  -0.065
  215    HZ   PHE  29           HZ       PHE  29  11.022  -3.584   0.952
  216    H    ASP  30           H        ASP  30   9.322  -0.478  -6.468
  217    HA   ASP  30           HA       ASP  30   9.110  -2.267  -8.945
  218   1HB   ASP  30          1HB       ASP  30   6.890  -1.846  -8.159
  219   2HB   ASP  30          2HB       ASP  30   7.201  -0.153  -7.851
  220    H    ALA  31           H        ALA  31  10.997  -1.734  -9.922
  221    HA   ALA  31           HA       ALA  31  12.105   1.000 -10.209
  222   1HB   ALA  31          1HB       ALA  31  13.768  -0.073 -11.734
  223   2HB   ALA  31          2HB       ALA  31  13.582  -0.981 -10.221
  224   3HB   ALA  31          3HB       ALA  31  12.842  -1.592 -11.723
  225    H    ASP  32           H        ASP  32  10.413  -1.257 -12.392
  226    HA   ASP  32           HA       ASP  32   9.303   1.066 -14.009
  227   1HB   ASP  32          1HB       ASP  32  10.274  -1.272 -15.666
  228   2HB   ASP  32          2HB       ASP  32  10.002   0.395 -16.120
  229    H    GLY  33           H        GLY  33   7.209   0.838 -14.110
  230   1HA   GLY  33          1HA       GLY  33   5.612  -1.338 -13.010
  231   2HA   GLY  33          2HA       GLY  33   5.763  -1.653 -14.742
  232    H    GLY  34           H        GLY  34   4.881   0.912 -12.431
  233   1HA   GLY  34          1HA       GLY  34   2.412   1.690 -13.942
  234   2HA   GLY  34          2HA       GLY  34   3.697   2.890 -14.115
  235    H    GLY  35           H        GLY  35   2.883   0.842 -11.321
  236   1HA   GLY  35          1HA       GLY  35   3.326   2.608  -9.144
  237   2HA   GLY  35          2HA       GLY  35   1.734   3.112  -9.720
  238    H    ASP  36           H        ASP  36   3.235  -0.112  -9.541
  239    HA   ASP  36           HA       ASP  36   1.417  -1.029  -7.320
  240   1HB   ASP  36          1HB       ASP  36   0.412  -2.930  -8.544
  241   2HB   ASP  36          2HB       ASP  36  -0.120  -1.381  -9.157
  242    H    ILE  37           H        ILE  37   2.123  -2.932  -6.370
  243    HA   ILE  37           HA       ILE  37   4.725  -4.222  -7.318
  244    HB   ILE  37           HB       ILE  37   5.400  -4.192  -4.754
  245   1HG1  ILE  37          1HG1      ILE  37   4.018  -1.435  -4.914
  246   2HG1  ILE  37          2HG1      ILE  37   3.301  -2.802  -4.088
  247   1HG2  ILE  37          1HG2      ILE  37   6.972  -2.314  -5.246
  248   2HG2  ILE  37          2HG2      ILE  37   6.792  -3.348  -6.670
  249   3HG2  ILE  37          3HG2      ILE  37   5.961  -1.776  -6.608
  250   1HD1  ILE  37          1HD1      ILE  37   5.960  -1.494  -3.272
  251   2HD1  ILE  37          2HD1      ILE  37   4.400  -1.409  -2.426
  252   3HD1  ILE  37          3HD1      ILE  37   5.271  -2.956  -2.516
  253    H    SER  38           H        SER  38   5.114  -6.202  -5.903
  254    HA   SER  38           HA       SER  38   2.748  -7.970  -5.832
  255   1HB   SER  38          1HB       SER  38   5.275  -8.587  -6.171
  256   2HB   SER  38          2HB       SER  38   5.371  -8.613  -4.409
  257    HG   SER  38           HG       SER  38   4.011 -10.267  -6.168
  258    H    THR  39           H        THR  39   2.009  -9.094  -3.913
  259    HA   THR  39           HA       THR  39   1.359  -7.228  -1.660
  260    HB   THR  39           HB       THR  39  -0.001  -9.213  -0.772
  261    HG1  THR  39           HG1      THR  39   0.144 -10.245  -3.351
  262   1HG2  THR  39          1HG2      THR  39  -1.869  -8.914  -2.338
  263   2HG2  THR  39          2HG2      THR  39  -1.079  -7.339  -2.088
  264   3HG2  THR  39          3HG2      THR  39  -0.793  -8.254  -3.592
  265    H    LYS  40           H        LYS  40   3.415 -10.011  -2.274
  266    HA   LYS  40           HA       LYS  40   3.955 -10.857   0.473
  267   1HB   LYS  40          1HB       LYS  40   5.250 -11.352  -2.212
  268   2HB   LYS  40          2HB       LYS  40   6.273 -11.618  -0.816
  269   1HG   LYS  40          1HG       LYS  40   5.048 -13.663  -1.715
  270   2HG   LYS  40          2HG       LYS  40   4.910 -13.405   0.013
  271   1HD   LYS  40          1HD       LYS  40   2.685 -13.951  -0.513
  272   2HD   LYS  40          2HD       LYS  40   2.625 -12.197  -0.561
  273   1HE   LYS  40          1HE       LYS  40   1.507 -12.657  -2.550
  274   2HE   LYS  40          2HE       LYS  40   3.145 -12.482  -3.184
  275   1HZ   LYS  40          1HZ       LYS  40   1.571 -14.621  -3.590
  276   2HZ   LYS  40          2HZ       LYS  40   3.219 -14.669  -3.704
  277   3HZ   LYS  40          3HZ       LYS  40   2.472 -15.179  -2.322
  278    H    GLU  41           H        GLU  41   5.373  -8.432  -1.655
  279    HA   GLU  41           HA       GLU  41   7.623  -7.777   0.254
  280   1HB   GLU  41          1HB       GLU  41   8.649  -6.554  -1.449
  281   2HB   GLU  41          2HB       GLU  41   7.148  -6.171  -2.268
  282   1HG   GLU  41          1HG       GLU  41   6.996  -8.693  -2.930
  283   2HG   GLU  41          2HG       GLU  41   8.217  -7.715  -3.725
  284    H    LEU  42           H        LEU  42   4.588  -6.449  -0.948
  285    HA   LEU  42           HA       LEU  42   4.490  -3.772  -0.261
  286   1HB   LEU  42          1HB       LEU  42   2.482  -4.572  -1.137
  287   2HB   LEU  42          2HB       LEU  42   2.419  -5.965  -0.078
  288    HG   LEU  42           HG       LEU  42   2.009  -4.041   1.824
  289   1HD1  LEU  42          1HD1      LEU  42  -0.269  -5.021  -0.009
  290   2HD1  LEU  42          2HD1      LEU  42   0.505  -6.033   1.220
  291   3HD1  LEU  42          3HD1      LEU  42  -0.387  -4.571   1.711
  292   1HD2  LEU  42          1HD2      LEU  42   0.627  -2.173   0.993
  293   2HD2  LEU  42          2HD2      LEU  42   2.175  -2.150   0.112
  294   3HD2  LEU  42          3HD2      LEU  42   0.719  -2.780  -0.681
  295    H    GLY  43           H        GLY  43   4.059  -6.466   2.049
  296   1HA   GLY  43          1HA       GLY  43   4.105  -6.547   4.488
  297   2HA   GLY  43          2HA       GLY  43   3.603  -4.854   4.466
  298    H    THR  44           H        THR  44   6.529  -6.392   3.097
  299    HA   THR  44           HA       THR  44   8.463  -5.658   5.022
  300    HB   THR  44           HB       THR  44   8.810  -5.985   2.012
  301    HG1  THR  44           HG1      THR  44   9.556  -7.559   4.242
  302   1HG2  THR  44          1HG2      THR  44  11.271  -6.211   2.392
  303   2HG2  THR  44          2HG2      THR  44  10.720  -4.556   2.728
  304   3HG2  THR  44          3HG2      THR  44  11.076  -5.666   4.076
  305    H    VAL  45           H        VAL  45   6.892  -3.711   2.578
  306    HA   VAL  45           HA       VAL  45   8.694  -1.335   2.824
  307    HB   VAL  45           HB       VAL  45   7.598  -0.356   1.088
  308   1HG1  VAL  45          1HG1      VAL  45   4.906  -1.745   1.663
  309   2HG1  VAL  45          2HG1      VAL  45   5.336  -0.156   2.308
  310   3HG1  VAL  45          3HG1      VAL  45   5.218  -0.387   0.549
  311   1HG2  VAL  45          1HG2      VAL  45   7.001  -1.951  -0.660
  312   2HG2  VAL  45          2HG2      VAL  45   8.253  -2.739   0.328
  313   3HG2  VAL  45          3HG2      VAL  45   6.558  -3.206   0.527
  314    H    MET  46           H        MET  46   5.623  -2.488   4.120
  315    HA   MET  46           HA       MET  46   4.800   0.073   5.391
  316   1HB   MET  46          1HB       MET  46   3.142  -1.630   6.632
  317   2HB   MET  46          2HB       MET  46   3.709  -2.769   5.423
  318   1HG   MET  46          1HG       MET  46   2.779  -1.504   3.587
  319   2HG   MET  46          2HG       MET  46   2.627  -0.029   4.556
  320   1HE   MET  46          1HE       MET  46   1.946  -3.782   5.294
  321   2HE   MET  46          2HE       MET  46   1.512  -3.095   6.887
  322   3HE   MET  46          3HE       MET  46   0.244  -3.817   5.853
  323    NH1  ARG  47           NH1      ARG  47   3.016  -3.659  11.181
  324    NH2  ARG  47           NH2      ARG  47   3.198  -1.532  10.403
  325    H    ARG  47           H        ARG  47   6.933  -2.506   6.285
  326    HA   ARG  47           HA       ARG  47   6.740  -1.841   9.282
  327   1HB   ARG  47          1HB       ARG  47   7.217  -4.396   7.771
  328   2HB   ARG  47          2HB       ARG  47   8.301  -4.135   9.130
  329   1HG   ARG  47          1HG       ARG  47   6.565  -5.266  10.195
  330   2HG   ARG  47          2HG       ARG  47   6.127  -3.592  10.540
  331   1HD   ARG  47          1HD       ARG  47   4.992  -4.833   7.994
  332   2HD   ARG  47          2HD       ARG  47   4.323  -5.376   9.531
  333    HE   ARG  47           HE       ARG  47   3.838  -2.746   8.278
  334   1HH1  ARG  47          1HH1      ARG  47   2.692  -1.263  11.254
  335   2HH1  ARG  47          2HH1      ARG  47   3.539  -0.905   9.667
  336   1HH2  ARG  47          1HH2      ARG  47   3.293  -4.642  11.084
  337   2HH2  ARG  47          2HH2      ARG  47   2.447  -3.252  11.932
  338    H    MET  48           H        MET  48   8.944  -2.327   6.545
  339    HA   MET  48           HA       MET  48  11.450  -1.646   7.961
  340   1HB   MET  48          1HB       MET  48  11.273  -2.846   5.670
  341   2HB   MET  48          2HB       MET  48  10.973  -1.275   4.949
  342   1HG   MET  48          1HG       MET  48  13.192  -0.537   5.233
  343   2HG   MET  48          2HG       MET  48  13.462  -1.522   6.679
  344   1HE   MET  48          1HE       MET  48  15.750  -1.655   5.397
  345   2HE   MET  48          2HE       MET  48  16.129  -3.021   4.306
  346   3HE   MET  48          3HE       MET  48  15.490  -1.493   3.631
  347    H    LEU  49           H        LEU  49   8.780   0.197   6.918
  348    HA   LEU  49           HA       LEU  49  10.264   2.844   7.388
  349   1HB   LEU  49          1HB       LEU  49   8.248   3.807   6.024
  350   2HB   LEU  49          2HB       LEU  49   7.902   2.159   5.550
  351    HG   LEU  49           HG       LEU  49  10.051   1.912   4.385
  352   1HD1  LEU  49          1HD1      LEU  49  10.785   4.789   5.228
  353   2HD1  LEU  49          2HD1      LEU  49  11.454   3.328   5.979
  354   3HD1  LEU  49          3HD1      LEU  49  11.778   3.668   4.261
  355   1HD2  LEU  49          1HD2      LEU  49   9.732   3.482   2.520
  356   2HD2  LEU  49          2HD2      LEU  49   8.118   3.098   3.165
  357   3HD2  LEU  49          3HD2      LEU  49   8.876   4.646   3.562
  358    H    GLY  50           H        GLY  50   9.117   1.012   9.361
  359   1HA   GLY  50          1HA       GLY  50   7.037   2.821  10.679
  360   2HA   GLY  50          2HA       GLY  50   6.563   1.152  10.363
  361    H    GLN  51           H        GLN  51   7.872  -0.564  11.298
  362    HA   GLN  51           HA       GLN  51   9.404   0.074  13.849
  363   1HB   GLN  51          1HB       GLN  51   7.138  -1.838  14.316
  364   2HB   GLN  51          2HB       GLN  51   7.884  -0.665  15.387
  365   1HG   GLN  51          1HG       GLN  51   6.533   1.141  14.631
  366   2HG   GLN  51          2HG       GLN  51   6.151   0.379  13.100
  367   1HE2  GLN  51          1HE2      GLN  51   3.083   0.077  15.249
  368   2HE2  GLN  51          2HE2      GLN  51   4.038   1.342  14.324
  369    H    ASN  52           H        ASN  52   8.939  -2.610  14.859
  370    HA   ASN  52           HA       ASN  52  10.091  -4.416  12.702
  371   1HB   ASN  52          1HB       ASN  52  11.363  -4.015  15.465
  372   2HB   ASN  52          2HB       ASN  52  11.981  -3.355  13.966
  373   1HD2  ASN  52          1HD2      ASN  52  13.652  -6.694  14.959
  374   2HD2  ASN  52          2HD2      ASN  52  13.126  -5.251  15.963
  375    HA   PRO  53           HA       PRO  53   6.958  -6.643  15.579
  376   1HB   PRO  53          1HB       PRO  53   5.065  -7.479  13.766
  377   2HB   PRO  53          2HB       PRO  53   5.145  -5.835  14.419
  378   1HG   PRO  53          1HG       PRO  53   5.232  -5.290  12.143
  379   2HG   PRO  53          2HG       PRO  53   6.086  -6.774  11.661
  380   1HD   PRO  53          1HD       PRO  53   7.183  -4.159  12.706
  381   2HD   PRO  53          2HD       PRO  53   8.026  -5.433  11.773
  382    H    THR  54           H        THR  54   6.604  -8.372  12.544
  383    HA   THR  54           HA       THR  54   8.740 -10.382  12.975
  384    HB   THR  54           HB       THR  54   6.062 -11.726  13.266
  385    HG1  THR  54           HG1      THR  54   5.716 -10.612  14.954
  386   1HG2  THR  54          1HG2      THR  54   7.337 -13.355  14.622
  387   2HG2  THR  54          2HG2      THR  54   8.143 -13.120  13.054
  388   3HG2  THR  54          3HG2      THR  54   8.807 -12.356  14.521
  389    H    LYS  55           H        LYS  55   8.528 -12.179  11.386
  390    HA   LYS  55           HA       LYS  55   7.636 -11.142   8.708
  391   1HB   LYS  55          1HB       LYS  55   8.725 -13.939   8.887
  392   2HB   LYS  55          2HB       LYS  55   9.080 -12.669   7.736
  393   1HG   LYS  55          1HG       LYS  55  10.400 -11.514   9.712
  394   2HG   LYS  55          2HG       LYS  55  10.252 -13.049  10.546
  395   1HD   LYS  55          1HD       LYS  55  12.325 -13.408   9.544
  396   2HD   LYS  55          2HD       LYS  55  11.290 -14.051   8.279
  397   1HE   LYS  55          1HE       LYS  55  11.597 -12.204   6.826
  398   2HE   LYS  55          2HE       LYS  55  12.031 -11.089   8.123
  399   1HZ   LYS  55          1HZ       LYS  55  13.790 -12.345   6.510
  400   2HZ   LYS  55          2HZ       LYS  55  14.182 -11.711   7.984
  401   3HZ   LYS  55          3HZ       LYS  55  13.860 -13.325   7.838
  402    H    GLU  56           H        GLU  56   6.804 -13.662  11.032
  403    HA   GLU  56           HA       GLU  56   4.779 -15.159   9.542
  404   1HB   GLU  56          1HB       GLU  56   5.357 -14.749  12.482
  405   2HB   GLU  56          2HB       GLU  56   5.432 -16.208  11.515
  406   1HG   GLU  56          1HG       GLU  56   2.809 -16.089  11.387
  407   2HG   GLU  56          2HG       GLU  56   2.905 -14.835  12.612
  408    H    GLU  57           H        GLU  57   4.772 -12.085  11.254
  409    HA   GLU  57           HA       GLU  57   1.885 -11.566  11.346
  410   1HB   GLU  57          1HB       GLU  57   2.470  -9.157  11.637
  411   2HB   GLU  57          2HB       GLU  57   4.144  -9.497  11.247
  412   1HG   GLU  57          1HG       GLU  57   4.256 -11.044  13.302
  413   2HG   GLU  57          2HG       GLU  57   4.041  -9.336  13.644
  414    H    LEU  58           H        LEU  58   4.402 -11.003   8.925
  415    HA   LEU  58           HA       LEU  58   3.076  -9.395   6.963
  416   1HB   LEU  58          1HB       LEU  58   5.506 -10.351   6.945
  417   2HB   LEU  58          2HB       LEU  58   4.836 -11.793   6.212
  418    HG   LEU  58           HG       LEU  58   3.798  -9.821   4.520
  419   1HD1  LEU  58          1HD1      LEU  58   5.692  -8.262   3.964
  420   2HD1  LEU  58          2HD1      LEU  58   5.078  -7.976   5.599
  421   3HD1  LEU  58          3HD1      LEU  58   6.609  -8.858   5.371
  422   1HD2  LEU  58          1HD2      LEU  58   6.506 -11.278   4.188
  423   2HD2  LEU  58          2HD2      LEU  58   4.907 -11.944   3.773
  424   3HD2  LEU  58          3HD2      LEU  58   5.541 -10.548   2.881
  425    H    ASP  59           H        ASP  59   2.759 -12.832   7.687
  426    HA   ASP  59           HA       ASP  59   1.189 -13.633   5.338
  427   1HB   ASP  59          1HB       ASP  59   1.225 -15.055   8.061
  428   2HB   ASP  59          2HB       ASP  59   0.655 -15.719   6.547
  429    H    ALA  60           H        ALA  60   0.318 -12.626   8.638
  430    HA   ALA  60           HA       ALA  60  -2.556 -13.097   8.573
  431   1HB   ALA  60          1HB       ALA  60  -2.682 -11.503  10.481
  432   2HB   ALA  60          2HB       ALA  60  -1.345 -12.651  10.683
  433   3HB   ALA  60          3HB       ALA  60  -1.009 -10.971  10.189
  434    H    ILE  61           H        ILE  61  -0.736 -10.048   8.064
  435    HA   ILE  61           HA       ILE  61  -2.794  -8.280   7.295
  436    HB   ILE  61           HB       ILE  61   0.123  -8.353   6.459
  437   1HG1  ILE  61          1HG1      ILE  61  -0.553  -7.577   8.816
  438   2HG1  ILE  61          2HG1      ILE  61  -1.455  -6.262   8.094
  439   1HG2  ILE  61          1HG2      ILE  61  -0.124  -6.153   5.281
  440   2HG2  ILE  61          2HG2      ILE  61  -1.062  -7.403   4.466
  441   3HG2  ILE  61          3HG2      ILE  61  -1.891  -6.215   5.498
  442   1HD1  ILE  61          1HD1      ILE  61   0.586  -5.215   7.154
  443   2HD1  ILE  61          2HD1      ILE  61   0.770  -5.498   8.898
  444   3HD1  ILE  61          3HD1      ILE  61   1.581  -6.577   7.739
  445    H    ILE  62           H        ILE  62  -1.173 -10.819   5.475
  446    HA   ILE  62           HA       ILE  62  -2.087 -10.162   2.763
  447    HB   ILE  62           HB       ILE  62  -0.351 -12.062   3.818
  448   1HG1  ILE  62          1HG1      ILE  62   0.235 -12.615   1.518
  449   2HG1  ILE  62          2HG1      ILE  62  -1.366 -12.239   0.920
  450   1HG2  ILE  62          1HG2      ILE  62  -1.116 -14.318   3.031
  451   2HG2  ILE  62          2HG2      ILE  62  -2.200 -13.702   4.277
  452   3HG2  ILE  62          3HG2      ILE  62  -2.698 -13.643   2.571
  453   1HD1  ILE  62          1HD1      ILE  62   0.647 -10.131   1.899
  454   2HD1  ILE  62          2HD1      ILE  62   0.132 -10.454   0.230
  455   3HD1  ILE  62          3HD1      ILE  62  -1.030  -9.783   1.397
  456    H    GLU  63           H        GLU  63  -3.346 -12.360   5.277
  457    HA   GLU  63           HA       GLU  63  -5.582 -13.495   3.876
  458   1HB   GLU  63          1HB       GLU  63  -4.881 -14.431   5.987
  459   2HB   GLU  63          2HB       GLU  63  -5.236 -12.956   6.864
  460   1HG   GLU  63          1HG       GLU  63  -6.999 -14.543   7.374
  461   2HG   GLU  63          2HG       GLU  63  -7.718 -13.286   6.382
  462    H    GLU  64           H        GLU  64  -5.219 -10.346   5.387
  463    HA   GLU  64           HA       GLU  64  -8.113  -9.657   5.442
  464   1HB   GLU  64          1HB       GLU  64  -5.879  -7.602   5.707
  465   2HB   GLU  64          2HB       GLU  64  -6.167  -8.775   6.978
  466   1HG   GLU  64          1HG       GLU  64  -7.297  -6.559   7.395
  467   2HG   GLU  64          2HG       GLU  64  -8.249  -6.749   5.932
  468    H    VAL  65           H        VAL  65  -5.308  -8.505   3.546
  469    HA   VAL  65           HA       VAL  65  -6.745  -6.598   1.865
  470    HB   VAL  65           HB       VAL  65  -4.152  -7.962   1.006
  471   1HG1  VAL  65          1HG1      VAL  65  -3.683  -5.780  -0.124
  472   2HG1  VAL  65          2HG1      VAL  65  -5.202  -6.482  -0.713
  473   3HG1  VAL  65          3HG1      VAL  65  -5.241  -5.123   0.436
  474   1HG2  VAL  65          1HG2      VAL  65  -4.380  -5.579   2.971
  475   2HG2  VAL  65          2HG2      VAL  65  -3.768  -7.206   3.357
  476   3HG2  VAL  65          3HG2      VAL  65  -2.876  -6.176   2.228
  477    H    ASP  66           H        ASP  66  -5.398  -9.814   0.987
  478    HA   ASP  66           HA       ASP  66  -7.262  -9.991  -1.390
  479   1HB   ASP  66          1HB       ASP  66  -4.868 -11.744  -0.598
  480   2HB   ASP  66          2HB       ASP  66  -4.890 -10.483  -1.809
  481    H    GLU  67           H        GLU  67  -8.844 -10.049   0.607
  482    HA   GLU  67           HA       GLU  67  -9.455 -12.748   1.758
  483   1HB   GLU  67          1HB       GLU  67 -10.133 -10.904   3.104
  484   2HB   GLU  67          2HB       GLU  67 -10.934 -10.084   1.778
  485   1HG   GLU  67          1HG       GLU  67 -12.863 -10.921   2.687
  486   2HG   GLU  67          2HG       GLU  67 -12.446 -12.411   1.858
  487    H    ASP  68           H        ASP  68 -10.389 -10.762  -0.996
  488    HA   ASP  68           HA       ASP  68 -11.824 -13.165  -2.242
  489   1HB   ASP  68          1HB       ASP  68 -13.444 -11.851  -3.296
  490   2HB   ASP  68          2HB       ASP  68 -12.487 -10.388  -3.243
  491    H    GLY  69           H        GLY  69 -11.959 -11.878  -4.818
  492   1HA   GLY  69          1HA       GLY  69 -10.556 -12.049  -6.853
  493   2HA   GLY  69          2HA       GLY  69  -9.139 -12.267  -5.821
  494    H    SER  70           H        SER  70  -7.792 -10.656  -5.657
  495    HA   SER  70           HA       SER  70  -8.669  -7.800  -6.370
  496   1HB   SER  70          1HB       SER  70  -6.988  -6.905  -4.839
  497   2HB   SER  70          2HB       SER  70  -6.388  -8.518  -4.447
  498    HG   SER  70           HG       SER  70  -8.928  -7.399  -3.896
  499    H    GLY  71           H        GLY  71  -5.497  -9.369  -5.902
  500   1HA   GLY  71          1HA       GLY  71  -4.233 -10.138  -8.122
  501   2HA   GLY  71          2HA       GLY  71  -4.682  -8.545  -8.740
  502    H    THR  72           H        THR  72  -3.682  -6.709  -7.990
  503    HA   THR  72           HA       THR  72  -1.050  -7.158  -6.521
  504    HB   THR  72           HB       THR  72   0.018  -5.432  -7.760
  505    HG1  THR  72           HG1      THR  72  -1.984  -4.833  -9.481
  506   1HG2  THR  72          1HG2      THR  72   0.225  -7.305  -9.197
  507   2HG2  THR  72          2HG2      THR  72  -1.505  -7.342  -9.604
  508   3HG2  THR  72          3HG2      THR  72  -0.453  -6.072 -10.283
  509    H    ILE  73           H        ILE  73  -0.439  -4.436  -6.130
  510    HA   ILE  73           HA       ILE  73  -2.687  -3.209  -4.566
  511    HB   ILE  73           HB       ILE  73  -0.914  -4.844  -3.178
  512   1HG1  ILE  73          1HG1      ILE  73  -3.008  -4.580  -2.215
  513   2HG1  ILE  73          2HG1      ILE  73  -2.003  -3.672  -1.100
  514   1HG2  ILE  73          1HG2      ILE  73   0.416  -3.480  -1.610
  515   2HG2  ILE  73          2HG2      ILE  73   0.937  -3.122  -3.263
  516   3HG2  ILE  73          3HG2      ILE  73  -0.105  -1.970  -2.393
  517   1HD1  ILE  73          1HD1      ILE  73  -2.701  -1.546  -2.633
  518   2HD1  ILE  73          2HD1      ILE  73  -4.069  -2.604  -3.041
  519   3HD1  ILE  73          3HD1      ILE  73  -3.770  -2.163  -1.343
  520    H    ASP  74           H        ASP  74  -2.683  -1.082  -4.736
  521    HA   ASP  74           HA       ASP  74  -0.426   0.240  -6.316
  522   1HB   ASP  74          1HB       ASP  74  -1.873   1.467  -7.478
  523   2HB   ASP  74          2HB       ASP  74  -2.773   1.916  -6.060
  524    H    PHE  75           H        PHE  75  -0.942   2.854  -5.801
  525    HA   PHE  75           HA       PHE  75   0.531   3.155  -3.223
  526   1HB   PHE  75          1HB       PHE  75  -0.212   5.296  -5.305
  527   2HB   PHE  75          2HB       PHE  75   1.237   4.325  -5.354
  528    HD1  PHE  75           HD1      PHE  75  -0.534   7.050  -3.493
  529    HD2  PHE  75           HD2      PHE  75   3.129   4.809  -3.786
  530    HE1  PHE  75           HE1      PHE  75   0.651   8.804  -2.240
  531    HE2  PHE  75           HE2      PHE  75   4.296   6.577  -2.529
  532    HZ   PHE  75           HZ       PHE  75   3.057   8.558  -1.730
  533    H    GLU  76           H        GLU  76  -2.666   3.769  -4.511
  534    HA   GLU  76           HA       GLU  76  -3.635   5.735  -2.565
  535   1HB   GLU  76          1HB       GLU  76  -5.136   3.816  -4.410
  536   2HB   GLU  76          2HB       GLU  76  -5.971   4.897  -3.313
  537   1HG   GLU  76          1HG       GLU  76  -4.946   6.896  -4.450
  538   2HG   GLU  76          2HG       GLU  76  -4.007   5.846  -5.497
  539    H    GLU  77           H        GLU  77  -4.741   2.359  -2.883
  540    HA   GLU  77           HA       GLU  77  -5.781   1.923  -0.235
  541   1HB   GLU  77          1HB       GLU  77  -5.837   0.361  -2.355
  542   2HB   GLU  77          2HB       GLU  77  -4.362  -0.332  -1.711
  543   1HG   GLU  77          1HG       GLU  77  -5.453  -1.338   0.133
  544   2HG   GLU  77          2HG       GLU  77  -6.728  -0.133   0.195
  545    H    PHE  78           H        PHE  78  -2.480   1.863  -1.446
  546    HA   PHE  78           HA       PHE  78  -1.063   0.615   0.733
  547   1HB   PHE  78          1HB       PHE  78   0.262   0.951  -1.158
  548   2HB   PHE  78          2HB       PHE  78  -0.284   2.584  -1.432
  549    HD1  PHE  78           HD1      PHE  78   0.888   1.589   1.985
  550    HD2  PHE  78           HD2      PHE  78   2.039   3.387  -1.750
  551    HE1  PHE  78           HE1      PHE  78   2.979   2.397   3.005
  552    HE2  PHE  78           HE2      PHE  78   4.193   4.046  -0.756
  553    HZ   PHE  78           HZ       PHE  78   4.653   3.585   1.627
  554    H    LEU  79           H        LEU  79  -1.868   4.053   0.210
  555    HA   LEU  79           HA       LEU  79  -0.788   5.125   2.733
  556   1HB   LEU  79          1HB       LEU  79  -2.354   7.097   2.269
  557   2HB   LEU  79          2HB       LEU  79  -2.983   6.229   0.885
  558    HG   LEU  79           HG       LEU  79  -0.507   6.163  -0.006
  559   1HD1  LEU  79          1HD1      LEU  79  -0.744   8.425  -1.041
  560   2HD1  LEU  79          2HD1      LEU  79  -2.302   7.577  -1.033
  561   3HD1  LEU  79          3HD1      LEU  79  -1.991   8.870   0.151
  562   1HD2  LEU  79          1HD2      LEU  79  -0.191   8.408   2.098
  563   2HD2  LEU  79          2HD2      LEU  79   0.684   6.856   2.077
  564   3HD2  LEU  79          3HD2      LEU  79   0.964   8.041   0.792
  565    H    VAL  80           H        VAL  80  -3.839   3.667   1.752
  566    HA   VAL  80           HA       VAL  80  -5.515   4.461   4.002
  567    HB   VAL  80           HB       VAL  80  -5.749   2.381   1.850
  568   1HG1  VAL  80          1HG1      VAL  80  -7.855   4.366   2.912
  569   2HG1  VAL  80          2HG1      VAL  80  -6.662   4.794   1.678
  570   3HG1  VAL  80          3HG1      VAL  80  -7.847   3.509   1.348
  571   1HG2  VAL  80          1HG2      VAL  80  -7.737   1.281   2.771
  572   2HG2  VAL  80          2HG2      VAL  80  -6.429   1.071   3.959
  573   3HG2  VAL  80          3HG2      VAL  80  -7.691   2.278   4.246
  574    H    MET  81           H        MET  81  -3.236   1.822   3.483
  575    HA   MET  81           HA       MET  81  -3.945   0.232   5.892
  576   1HB   MET  81          1HB       MET  81  -1.297   0.001   4.369
  577   2HB   MET  81          2HB       MET  81  -2.098  -1.214   5.349
  578   1HG   MET  81          1HG       MET  81  -3.854  -0.347   3.108
  579   2HG   MET  81          2HG       MET  81  -2.283  -0.930   2.535
  580   1HE   MET  81          1HE       MET  81  -3.628  -2.593   6.116
  581   2HE   MET  81          2HE       MET  81  -4.846  -1.531   5.349
  582   3HE   MET  81          3HE       MET  81  -5.106  -3.300   5.388
  583    H    MET  82           H        MET  82  -1.635   2.761   5.080
  584    HA   MET  82           HA       MET  82   0.162   2.495   7.389
  585   1HB   MET  82          1HB       MET  82  -0.284   4.645   5.289
  586   2HB   MET  82          2HB       MET  82   0.599   5.084   6.739
  587   1HG   MET  82          1HG       MET  82   1.389   2.784   4.835
  588   2HG   MET  82          2HG       MET  82   2.118   4.397   4.866
  589   1HE   MET  82          1HE       MET  82   2.482   5.282   7.847
  590   2HE   MET  82          2HE       MET  82   1.273   4.099   8.428
  591   3HE   MET  82          3HE       MET  82   2.953   4.026   9.034
  592    H    VAL  83           H        VAL  83  -2.483   4.794   6.675
  593    HA   VAL  83           HA       VAL  83  -2.522   6.144   9.271
  594    HB   VAL  83           HB       VAL  83  -4.909   5.915   7.370
  595   1HG1  VAL  83          1HG1      VAL  83  -2.752   8.116   7.287
  596   2HG1  VAL  83          2HG1      VAL  83  -2.765   6.732   6.185
  597   3HG1  VAL  83          3HG1      VAL  83  -4.121   7.885   6.169
  598   1HG2  VAL  83          1HG2      VAL  83  -5.703   8.024   8.310
  599   2HG2  VAL  83          2HG2      VAL  83  -5.365   6.957   9.692
  600   3HG2  VAL  83          3HG2      VAL  83  -4.222   8.242   9.276
  601    NH1  ARG  84           NH1      ARG  84  -9.157   0.177   8.969
  602    NH2  ARG  84           NH2      ARG  84  -9.595  -0.037   6.750
  603    H    ARG  84           H        ARG  84  -4.059   3.236   8.003
  604    HA   ARG  84           HA       ARG  84  -5.965   2.652  10.153
  605   1HB   ARG  84          1HB       ARG  84  -4.584   0.903   8.057
  606   2HB   ARG  84          2HB       ARG  84  -6.258   1.437   8.137
  607   1HG   ARG  84          1HG       ARG  84  -4.926  -0.715   9.868
  608   2HG   ARG  84          2HG       ARG  84  -6.465   0.010  10.336
  609   1HD   ARG  84          1HD       ARG  84  -5.854  -1.814   7.975
  610   2HD   ARG  84          2HD       ARG  84  -7.200  -1.879   9.111
  611    HE   ARG  84           HE       ARG  84  -7.066  -0.164   6.634
  612   1HH1  ARG  84          1HH1      ARG  84 -10.528   0.322   6.981
  613   2HH1  ARG  84          2HH1      ARG  84  -9.265  -0.347   5.830
  614   1HH2  ARG  84          1HH2      ARG  84  -8.502   0.015   9.741
  615   2HH2  ARG  84          2HH2      ARG  84 -10.113   0.546   9.041
  616    H    GLN  85           H        GLN  85  -2.516   1.956   9.717
  617    HA   GLN  85           HA       GLN  85  -2.231   0.051  11.969
  618   1HB   GLN  85          1HB       GLN  85   0.301   1.380  11.315
  619   2HB   GLN  85          2HB       GLN  85  -0.567   1.014   9.835
  620   1HG   GLN  85          1HG       GLN  85   0.768  -0.903  10.181
  621   2HG   GLN  85          2HG       GLN  85   0.527  -0.920  11.916
  622   1HE2  GLN  85          1HE2      GLN  85  -2.071  -3.348  11.601
  623   2HE2  GLN  85          2HE2      GLN  85  -0.688  -2.610  12.555
  624    H    MET  86           H        MET  86  -1.297   3.466  11.500
  625    HA   MET  86           HA       MET  86  -0.011   4.036  13.999
  626   1HB   MET  86          1HB       MET  86  -0.750   5.575  11.766
  627   2HB   MET  86          2HB       MET  86  -1.703   6.297  13.050
  628   1HG   MET  86          1HG       MET  86   0.800   6.107  14.304
  629   2HG   MET  86          2HG       MET  86   1.259   6.381  12.616
  630   1HE   MET  86          1HE       MET  86   2.417   8.268  13.803
  631   2HE   MET  86          2HE       MET  86   1.751   9.915  13.598
  632   3HE   MET  86          3HE       MET  86   1.566   9.068  15.161
  633    H    LYS  87           H        LYS  87  -3.455   4.013  13.169
  634    HA   LYS  87           HA       LYS  87  -4.468   5.015  15.787
  635   1HB   LYS  87          1HB       LYS  87  -5.657   4.902  13.370
  636   2HB   LYS  87          2HB       LYS  87  -6.201   3.333  13.924
  637   1HG   LYS  87          1HG       LYS  87  -7.170   4.507  16.012
  638   2HG   LYS  87          2HG       LYS  87  -6.747   6.042  15.280
  639   1HD   LYS  87          1HD       LYS  87  -8.867   4.023  14.351
  640   2HD   LYS  87          2HD       LYS  87  -9.073   5.698  14.835
  641   1HE   LYS  87          1HE       LYS  87  -8.981   6.350  12.669
  642   2HE   LYS  87          2HE       LYS  87  -7.296   5.834  12.575
  643   1HZ   LYS  87          1HZ       LYS  87  -8.572   3.487  12.280
  644   2HZ   LYS  87          2HZ       LYS  87  -9.690   4.498  11.604
  645   3HZ   LYS  87          3HZ       LYS  87  -8.148   4.460  11.014
  646    H    GLU  88           H        GLU  88  -4.077   1.835  14.222
  647    HA   GLU  88           HA       GLU  88  -5.190   0.047  16.134
  648   1HB   GLU  88          1HB       GLU  88  -3.643  -0.274  13.845
  649   2HB   GLU  88          2HB       GLU  88  -2.566  -0.901  15.077
  650   1HG   GLU  88          1HG       GLU  88  -5.153  -2.037  14.033
  651   2HG   GLU  88          2HG       GLU  88  -3.689  -2.862  14.542
  652    H    ASP  89           H        ASP  89  -1.656   0.477  16.016
  653    HA   ASP  89           HA       ASP  89  -1.574   0.645  19.075
  654   1HB   ASP  89          1HB       ASP  89   0.624  -0.764  17.477
  655   2HB   ASP  89          2HB       ASP  89  -0.797  -1.623  18.026
  656    H    ALA  90           H        ALA  90  -0.180   2.088  19.927
  657    HA   ALA  90           HA       ALA  90   1.807   3.617  18.230
  658   1HB   ALA  90          1HB       ALA  90   0.811   5.712  18.259
  659   2HB   ALA  90          2HB       ALA  90  -0.696   4.782  18.381
  660   3HB   ALA  90          3HB       ALA  90   0.041   5.473  19.848
   
  Start of MODEL          13
 Raw file had  660 H/Q atoms
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1 -18.898  10.435   6.484
    2   2H    ALA   1          2H        ALA   1 -17.843  11.125   7.597
    3   3H    ALA   1          3H        ALA   1 -17.288  10.690   6.070
    4    HA   ALA   1           HA       ALA   1 -16.494   8.957   7.214
    5   1HB   ALA   1          1HB       ALA   1 -17.942   7.960   9.193
    6   2HB   ALA   1          2HB       ALA   1 -17.094   9.496   9.453
    7   3HB   ALA   1          3HB       ALA   1 -18.845   9.492   9.119
    8    H    SER   2           H        SER   2 -16.672   7.600   5.544
    9    HA   SER   2           HA       SER   2 -18.808   5.545   5.382
   10   1HB   SER   2          1HB       SER   2 -19.832   7.758   4.362
   11   2HB   SER   2          2HB       SER   2 -18.851   7.373   2.946
   12    HG   SER   2           HG       SER   2 -20.451   5.406   4.183
   13    H    MET   3           H        MET   3 -18.380   3.987   3.742
   14    HA   MET   3           HA       MET   3 -15.541   3.522   3.012
   15   1HB   MET   3          1HB       MET   3 -18.135   2.039   2.613
   16   2HB   MET   3          2HB       MET   3 -16.889   1.730   1.418
   17   1HG   MET   3          1HG       MET   3 -15.329   1.418   3.651
   18   2HG   MET   3          2HG       MET   3 -16.256   0.094   2.925
   19   1HE   MET   3          1HE       MET   3 -16.011   2.092   6.602
   20   2HE   MET   3          2HE       MET   3 -16.353   3.117   5.176
   21   3HE   MET   3          3HE       MET   3 -17.634   2.822   6.388
   22    H    THR   4           H        THR   4 -18.393   4.859   1.445
   23    HA   THR   4           HA       THR   4 -17.581   5.098  -1.306
   24    HB   THR   4           HB       THR   4 -19.821   5.806  -0.241
   25    HG1  THR   4           HG1      THR   4 -19.142   7.784  -1.997
   26   1HG2  THR   4          1HG2      THR   4 -20.207   8.211   0.143
   27   2HG2  THR   4          2HG2      THR   4 -19.053   7.609   1.354
   28   3HG2  THR   4          3HG2      THR   4 -18.477   8.582  -0.024
   29    H    ASP   5           H        ASP   5 -16.368   6.646   1.569
   30    HA   ASP   5           HA       ASP   5 -14.134   7.948  -0.031
   31   1HB   ASP   5          1HB       ASP   5 -14.326  10.128   1.054
   32   2HB   ASP   5          2HB       ASP   5 -15.784   9.754   0.163
   33    H    GLN   6           H        GLN   6 -13.934   5.645   1.342
   34    HA   GLN   6           HA       GLN   6 -12.676   6.127   4.058
   35   1HB   GLN   6          1HB       GLN   6 -13.854   4.045   3.934
   36   2HB   GLN   6          2HB       GLN   6 -13.176   3.639   2.367
   37   1HG   GLN   6          1HG       GLN   6 -11.107   2.918   3.250
   38   2HG   GLN   6          2HG       GLN   6 -11.229   3.901   4.694
   39   1HE2  GLN   6          1HE2      GLN   6 -12.690   0.064   4.721
   40   2HE2  GLN   6          2HE2      GLN   6 -11.965   0.843   3.226
   41    H    GLN   7           H        GLN   7 -11.756   5.135   0.761
   42    HA   GLN   7           HA       GLN   7  -8.899   4.852   1.020
   43   1HB   GLN   7          1HB       GLN   7 -10.285   6.062  -1.443
   44   2HB   GLN   7          2HB       GLN   7  -8.701   5.311  -1.378
   45   1HG   GLN   7          1HG       GLN   7 -11.032   3.592  -0.483
   46   2HG   GLN   7          2HG       GLN   7 -10.967   3.998  -2.186
   47   1HE2  GLN   7          1HE2      GLN   7  -8.980   0.795  -1.480
   48   2HE2  GLN   7          2HE2      GLN   7 -10.673   1.377  -1.076
   49    H    ALA   8           H        ALA   8 -10.839   7.771   0.312
   50    HA   ALA   8           HA       ALA   8  -8.561   9.631   0.029
   51   1HB   ALA   8          1HB       ALA   8 -10.601  11.354   0.443
   52   2HB   ALA   8          2HB       ALA   8 -10.393  10.485  -1.090
   53   3HB   ALA   8          3HB       ALA   8 -11.580   9.906   0.107
   54    H    GLU   9           H        GLU   9 -10.622   8.570   2.678
   55    HA   GLU   9           HA       GLU   9 -10.188  10.569   4.693
   56   1HB   GLU   9          1HB       GLU   9 -11.740   8.499   4.783
   57   2HB   GLU   9          2HB       GLU   9 -10.357   7.591   5.362
   58   1HG   GLU   9          1HG       GLU   9 -10.271   8.773   7.449
   59   2HG   GLU   9          2HG       GLU   9 -11.148  10.161   6.826
   60    H    ALA  10           H        ALA  10  -8.125   7.931   3.594
   61    HA   ALA  10           HA       ALA  10  -6.181   7.779   5.725
   62   1HB   ALA  10          1HB       ALA  10  -4.671   6.709   4.060
   63   2HB   ALA  10          2HB       ALA  10  -6.323   6.074   3.938
   64   3HB   ALA  10          3HB       ALA  10  -5.724   7.232   2.723
   65    NH1  ARG  11           NH1      ARG  11  -5.839  12.797  -1.216
   66    NH2  ARG  11           NH2      ARG  11  -4.068  13.863  -2.157
   67    H    ARG  11           H        ARG  11  -5.909   9.526   2.609
   68    HA   ARG  11           HA       ARG  11  -3.404  10.994   3.216
   69   1HB   ARG  11          1HB       ARG  11  -5.356  12.134   1.201
   70   2HB   ARG  11          2HB       ARG  11  -3.604  11.991   1.142
   71   1HG   ARG  11          1HG       ARG  11  -4.067   9.354   1.013
   72   2HG   ARG  11          2HG       ARG  11  -5.684   9.846   0.505
   73   1HD   ARG  11          1HD       ARG  11  -3.267   9.735  -1.102
   74   2HD   ARG  11          2HD       ARG  11  -4.904  10.123  -1.625
   75    HE   ARG  11           HE       ARG  11  -2.740  12.116  -0.997
   76   1HH1  ARG  11          1HH1      ARG  11  -6.377  13.631  -1.474
   77   2HH1  ARG  11          2HH1      ARG  11  -6.194  11.956  -0.747
   78   1HH2  ARG  11          1HH2      ARG  11  -3.072  13.839  -2.405
   79   2HH2  ARG  11          2HH2      ARG  11  -4.731  14.622  -2.352
   80    H    ALA  12           H        ALA  12  -6.800  11.505   3.876
   81    HA   ALA  12           HA       ALA  12  -7.000  14.336   4.299
   82   1HB   ALA  12          1HB       ALA  12  -8.892  13.864   5.836
   83   2HB   ALA  12          2HB       ALA  12  -8.969  12.833   4.393
   84   3HB   ALA  12          3HB       ALA  12  -8.422  12.150   5.945
   85    H    PHE  13           H        PHE  13  -5.414  11.896   6.257
   86    HA   PHE  13           HA       PHE  13  -4.989  13.862   8.561
   87   1HB   PHE  13          1HB       PHE  13  -4.663  10.805   8.643
   88   2HB   PHE  13          2HB       PHE  13  -6.160  11.618   9.015
   89    HD1  PHE  13           HD1      PHE  13  -5.954  13.543  10.946
   90    HD2  PHE  13           HD2      PHE  13  -3.051  10.419  10.363
   91    HE1  PHE  13           HE1      PHE  13  -5.317  13.677  13.318
   92    HE2  PHE  13           HE2      PHE  13  -2.432  10.566  12.739
   93    HZ   PHE  13           HZ       PHE  13  -3.519  12.231  14.205
   94    H    LEU  14           H        LEU  14  -3.545  13.918   6.065
   95    HA   LEU  14           HA       LEU  14  -0.688  13.208   6.928
   96   1HB   LEU  14          1HB       LEU  14  -1.987  12.744   4.181
   97   2HB   LEU  14          2HB       LEU  14  -0.251  12.802   4.399
   98    HG   LEU  14           HG       LEU  14  -1.760  10.502   4.444
   99   1HD1  LEU  14          1HD1      LEU  14  -1.262  11.057   7.438
  100   2HD1  LEU  14          2HD1      LEU  14  -2.853  11.143   6.659
  101   3HD1  LEU  14          3HD1      LEU  14  -1.981   9.591   6.721
  102   1HD2  LEU  14          1HD2      LEU  14   0.247   9.326   5.230
  103   2HD2  LEU  14          2HD2      LEU  14   0.799  10.736   4.293
  104   3HD2  LEU  14          3HD2      LEU  14   0.854  10.780   6.061
  105    H    SER  15           H        SER  15   0.716  14.332   4.975
  106    HA   SER  15           HA       SER  15  -0.170  17.266   4.779
  107   1HB   SER  15          1HB       SER  15   2.518  17.492   4.449
  108   2HB   SER  15          2HB       SER  15   2.502  16.033   5.444
  109    HG   SER  15           HG       SER  15   2.456  18.252   6.428
  110    H    GLU  16           H        GLU  16   0.956  18.366   2.885
  111    HA   GLU  16           HA       GLU  16   0.204  16.935   0.362
  112   1HB   GLU  16          1HB       GLU  16  -0.151  19.482   0.990
  113   2HB   GLU  16          2HB       GLU  16   1.488  19.694   0.408
  114   1HG   GLU  16          1HG       GLU  16  -0.828  18.516  -1.262
  115   2HG   GLU  16          2HG       GLU  16   0.812  18.741  -1.845
  116    H    GLU  17           H        GLU  17   3.127  18.164   1.933
  117    HA   GLU  17           HA       GLU  17   4.947  17.361  -0.337
  118   1HB   GLU  17          1HB       GLU  17   5.111  19.445   1.400
  119   2HB   GLU  17          2HB       GLU  17   6.096  18.300   2.289
  120   1HG   GLU  17          1HG       GLU  17   6.635  19.595  -0.418
  121   2HG   GLU  17          2HG       GLU  17   7.322  18.005  -0.130
  122    H    MET  18           H        MET  18   4.024  16.315   2.898
  123    HA   MET  18           HA       MET  18   5.949  14.269   3.513
  124   1HB   MET  18          1HB       MET  18   2.929  14.141   4.084
  125   2HB   MET  18          2HB       MET  18   4.111  14.991   5.062
  126   1HG   MET  18          1HG       MET  18   4.496  11.993   4.560
  127   2HG   MET  18          2HG       MET  18   3.321  12.552   5.761
  128   1HE   MET  18          1HE       MET  18   4.415  11.321   7.573
  129   2HE   MET  18          2HE       MET  18   5.979  10.778   6.896
  130   3HE   MET  18          3HE       MET  18   5.948  11.761   8.390
  131    H    ILE  19           H        ILE  19   3.212  14.275   1.291
  132    HA   ILE  19           HA       ILE  19   3.070  11.423   0.628
  133    HB   ILE  19           HB       ILE  19   2.216  13.891  -0.952
  134   1HG1  ILE  19          1HG1      ILE  19   0.610  13.632   0.767
  135   2HG1  ILE  19          2HG1      ILE  19  -0.123  12.753  -0.557
  136   1HG2  ILE  19          1HG2      ILE  19   1.101  12.392  -2.620
  137   2HG2  ILE  19          2HG2      ILE  19   2.844  12.129  -2.632
  138   3HG2  ILE  19          3HG2      ILE  19   1.784  10.955  -1.820
  139   1HD1  ILE  19          1HD1      ILE  19   1.310  11.419   1.814
  140   2HD1  ILE  19          2HD1      ILE  19  -0.432  11.451   1.472
  141   3HD1  ILE  19          3HD1      ILE  19   0.661  10.550   0.396
  142    H    ALA  20           H        ALA  20   4.858  14.162  -0.800
  143    HA   ALA  20           HA       ALA  20   6.131  12.967  -3.040
  144   1HB   ALA  20          1HB       ALA  20   7.868  14.694  -2.859
  145   2HB   ALA  20          2HB       ALA  20   6.291  15.393  -2.443
  146   3HB   ALA  20          3HB       ALA  20   7.463  15.013  -1.156
  147    H    GLU  21           H        GLU  21   6.952  12.700   0.387
  148    HA   GLU  21           HA       GLU  21   9.598  11.395   0.025
  149   1HB   GLU  21          1HB       GLU  21   8.877  12.811   2.037
  150   2HB   GLU  21          2HB       GLU  21   7.928  11.446   2.590
  151   1HG   GLU  21          1HG       GLU  21  10.007  11.365   3.810
  152   2HG   GLU  21          2HG       GLU  21  10.073  10.037   2.664
  153    H    PHE  22           H        PHE  22   6.290  10.349   0.739
  154    HA   PHE  22           HA       PHE  22   6.722   7.524   1.306
  155   1HB   PHE  22          1HB       PHE  22   4.299   8.953   0.076
  156   2HB   PHE  22          2HB       PHE  22   4.298   7.240   0.403
  157    HD1  PHE  22           HD1      PHE  22   6.325   8.304   3.006
  158    HD2  PHE  22           HD2      PHE  22   2.242   8.752   1.719
  159    HE1  PHE  22           HE1      PHE  22   5.635   8.764   5.321
  160    HE2  PHE  22           HE2      PHE  22   1.570   9.200   4.044
  161    HZ   PHE  22           HZ       PHE  22   3.260   9.203   5.847
  162    H    LYS  23           H        LYS  23   6.485   9.380  -1.677
  163    HA   LYS  23           HA       LYS  23   6.116   7.298  -3.650
  164   1HB   LYS  23          1HB       LYS  23   7.412   8.924  -5.241
  165   2HB   LYS  23          2HB       LYS  23   7.532  10.014  -3.876
  166   1HG   LYS  23          1HG       LYS  23   4.918   8.986  -5.137
  167   2HG   LYS  23          2HG       LYS  23   4.974  10.005  -3.712
  168   1HD   LYS  23          1HD       LYS  23   5.522  11.947  -4.926
  169   2HD   LYS  23          2HD       LYS  23   6.470  11.059  -6.107
  170   1HE   LYS  23          1HE       LYS  23   3.399  10.894  -6.056
  171   2HE   LYS  23          2HE       LYS  23   4.267  12.113  -6.990
  172   1HZ   LYS  23          1HZ       LYS  23   3.614   9.868  -8.076
  173   2HZ   LYS  23          2HZ       LYS  23   5.101  10.501  -8.420
  174   3HZ   LYS  23          3HZ       LYS  23   4.962   9.259  -7.341
  175    H    ALA  24           H        ALA  24   9.129   8.744  -2.377
  176    HA   ALA  24           HA       ALA  24  11.093   7.357  -3.964
  177   1HB   ALA  24          1HB       ALA  24  12.715   7.884  -2.153
  178   2HB   ALA  24          2HB       ALA  24  11.671   9.274  -2.502
  179   3HB   ALA  24          3HB       ALA  24  11.388   8.296  -1.040
  180    H    ALA  25           H        ALA  25   9.525   6.408  -0.912
  181    HA   ALA  25           HA       ALA  25  11.140   4.010  -0.351
  182   1HB   ALA  25          1HB       ALA  25   9.399   3.479   1.347
  183   2HB   ALA  25          2HB       ALA  25   9.891   5.181   1.441
  184   3HB   ALA  25          3HB       ALA  25   8.332   4.746   0.695
  185    H    PHE  26           H        PHE  26   8.105   4.611  -2.067
  186    HA   PHE  26           HA       PHE  26   7.178   1.836  -2.354
  187   1HB   PHE  26          1HB       PHE  26   6.487   4.114  -4.290
  188   2HB   PHE  26          2HB       PHE  26   5.838   4.068  -2.672
  189    HD1  PHE  26           HD1      PHE  26   6.352   1.408  -5.367
  190    HD2  PHE  26           HD2      PHE  26   3.583   3.347  -2.707
  191    HE1  PHE  26           HE1      PHE  26   4.536  -0.039  -6.185
  192    HE2  PHE  26           HE2      PHE  26   1.774   1.908  -3.555
  193    HZ   PHE  26           HZ       PHE  26   2.248   0.209  -5.286
  194    H    ASP  27           H        ASP  27   9.335   3.940  -4.179
  195    HA   ASP  27           HA       ASP  27   9.500   2.317  -6.638
  196   1HB   ASP  27          1HB       ASP  27  11.559   4.403  -5.727
  197   2HB   ASP  27          2HB       ASP  27  10.026   4.822  -6.456
  198    H    MET  28           H        MET  28  11.196   2.355  -3.578
  199    HA   MET  28           HA       MET  28  13.688   1.084  -4.089
  200   1HB   MET  28          1HB       MET  28  11.833   0.745  -1.678
  201   2HB   MET  28          2HB       MET  28  13.356  -0.119  -1.783
  202   1HG   MET  28          1HG       MET  28  14.661   1.962  -1.789
  203   2HG   MET  28          2HG       MET  28  13.208   2.948  -2.025
  204   1HE   MET  28          1HE       MET  28  15.017   0.355   0.084
  205   2HE   MET  28          2HE       MET  28  15.605   1.766   1.014
  206   3HE   MET  28          3HE       MET  28  14.468   0.612   1.771
  207    H    PHE  29           H        PHE  29  10.489  -0.425  -3.738
  208    HA   PHE  29           HA       PHE  29  11.586  -3.206  -4.330
  209   1HB   PHE  29          1HB       PHE  29   9.090  -3.886  -3.923
  210   2HB   PHE  29          2HB       PHE  29   8.823  -2.250  -3.385
  211    HD1  PHE  29           HD1      PHE  29  11.074  -1.498  -1.696
  212    HD2  PHE  29           HD2      PHE  29   9.140  -5.331  -2.018
  213    HE1  PHE  29           HE1      PHE  29  11.899  -2.116   0.539
  214    HE2  PHE  29           HE2      PHE  29   9.956  -5.918   0.228
  215    HZ   PHE  29           HZ       PHE  29  11.335  -4.319   1.507
  216    H    ASP  30           H        ASP  30   9.712  -0.599  -5.738
  217    HA   ASP  30           HA       ASP  30   8.395  -2.124  -7.911
  218   1HB   ASP  30          1HB       ASP  30   7.766   0.259  -6.949
  219   2HB   ASP  30          2HB       ASP  30   8.960   0.872  -8.070
  220    H    ALA  31           H        ALA  31   9.149  -2.709  -9.816
  221    HA   ALA  31           HA       ALA  31  12.049  -2.459 -10.511
  222   1HB   ALA  31          1HB       ALA  31  11.476  -3.930 -12.446
  223   2HB   ALA  31          2HB       ALA  31  10.860  -4.587 -10.917
  224   3HB   ALA  31          3HB       ALA  31   9.742  -3.806 -12.065
  225    H    ASP  32           H        ASP  32   9.410  -2.114 -12.824
  226    HA   ASP  32           HA       ASP  32  10.623   0.397 -14.023
  227   1HB   ASP  32          1HB       ASP  32  10.000  -1.299 -15.661
  228   2HB   ASP  32          2HB       ASP  32   8.377  -1.429 -15.024
  229    H    GLY  33           H        GLY  33   7.322  -0.683 -13.121
  230   1HA   GLY  33          1HA       GLY  33   6.229   2.025 -12.592
  231   2HA   GLY  33          2HA       GLY  33   6.797   1.307 -11.083
  232    H    GLY  34           H        GLY  34   4.661   0.766 -13.862
  233   1HA   GLY  34          1HA       GLY  34   2.492  -0.287 -14.049
  234   2HA   GLY  34          2HA       GLY  34   3.153  -1.543 -13.001
  235    H    GLY  35           H        GLY  35   3.186   1.683 -11.748
  236   1HA   GLY  35          1HA       GLY  35   2.103   2.647  -9.797
  237   2HA   GLY  35          2HA       GLY  35   0.645   2.274 -10.714
  238    H    ASP  36           H        ASP  36   2.840  -0.209  -9.545
  239    HA   ASP  36           HA       ASP  36   1.333  -0.906  -7.072
  240   1HB   ASP  36          1HB       ASP  36   0.289  -2.996  -7.750
  241   2HB   ASP  36          2HB       ASP  36  -0.356  -1.671  -8.690
  242    H    ILE  37           H        ILE  37   2.122  -2.978  -6.172
  243    HA   ILE  37           HA       ILE  37   4.894  -3.867  -7.119
  244    HB   ILE  37           HB       ILE  37   5.728  -3.852  -4.750
  245   1HG1  ILE  37          1HG1      ILE  37   3.067  -2.496  -4.201
  246   2HG1  ILE  37          2HG1      ILE  37   3.993  -3.590  -3.196
  247   1HG2  ILE  37          1HG2      ILE  37   6.455  -1.464  -4.809
  248   2HG2  ILE  37          2HG2      ILE  37   6.452  -2.141  -6.444
  249   3HG2  ILE  37          3HG2      ILE  37   5.139  -1.052  -5.935
  250   1HD1  ILE  37          1HD1      ILE  37   4.648  -0.609  -3.559
  251   2HD1  ILE  37          2HD1      ILE  37   3.978  -1.410  -2.121
  252   3HD1  ILE  37          3HD1      ILE  37   5.644  -1.764  -2.633
  253    H    SER  38           H        SER  38   5.393  -5.679  -5.150
  254    HA   SER  38           HA       SER  38   3.421  -7.877  -5.612
  255   1HB   SER  38          1HB       SER  38   6.028  -7.727  -4.016
  256   2HB   SER  38          2HB       SER  38   5.737  -8.513  -5.570
  257    HG   SER  38           HG       SER  38   5.645 -10.081  -4.103
  258    H    THR  39           H        THR  39   2.115  -8.836  -4.108
  259    HA   THR  39           HA       THR  39   0.965  -7.104  -1.963
  260    HB   THR  39           HB       THR  39  -0.535  -9.178  -1.529
  261    HG1  THR  39           HG1      THR  39   1.136 -10.332  -3.016
  262   1HG2  THR  39          1HG2      THR  39  -2.038  -8.683  -3.407
  263   2HG2  THR  39          2HG2      THR  39  -1.335  -7.156  -2.825
  264   3HG2  THR  39          3HG2      THR  39  -0.732  -7.902  -4.329
  265    H    LYS  40           H        LYS  40   3.090  -9.895  -2.198
  266    HA   LYS  40           HA       LYS  40   3.009 -10.674   0.668
  267   1HB   LYS  40          1HB       LYS  40   4.480 -11.579  -1.788
  268   2HB   LYS  40          2HB       LYS  40   5.395 -11.766  -0.307
  269   1HG   LYS  40          1HG       LYS  40   2.581 -12.762  -0.088
  270   2HG   LYS  40          2HG       LYS  40   3.490 -13.549  -1.363
  271   1HD   LYS  40          1HD       LYS  40   4.024 -13.584   1.655
  272   2HD   LYS  40          2HD       LYS  40   3.778 -14.928   0.552
  273   1HE   LYS  40          1HE       LYS  40   6.315 -13.439   1.163
  274   2HE   LYS  40          2HE       LYS  40   6.106 -13.839  -0.543
  275   1HZ   LYS  40          1HZ       LYS  40   6.298 -15.674   1.766
  276   2HZ   LYS  40          2HZ       LYS  40   5.549 -16.190   0.387
  277   3HZ   LYS  40          3HZ       LYS  40   7.128 -15.706   0.338
  278    H    GLU  41           H        GLU  41   4.977  -8.588  -1.371
  279    HA   GLU  41           HA       GLU  41   7.104  -8.132   0.705
  280   1HB   GLU  41          1HB       GLU  41   6.776  -7.483  -2.204
  281   2HB   GLU  41          2HB       GLU  41   7.688  -6.306  -1.278
  282   1HG   GLU  41          1HG       GLU  41   8.925  -8.350  -2.469
  283   2HG   GLU  41          2HG       GLU  41   9.495  -7.750  -0.921
  284    H    LEU  42           H        LEU  42   4.216  -6.565  -0.509
  285    HA   LEU  42           HA       LEU  42   4.415  -3.851  -0.051
  286   1HB   LEU  42          1HB       LEU  42   2.212  -5.783   0.012
  287   2HB   LEU  42          2HB       LEU  42   2.251  -4.148  -0.615
  288    HG   LEU  42           HG       LEU  42   1.941  -4.606   2.400
  289   1HD1  LEU  42          1HD1      LEU  42   0.712  -2.419   2.294
  290   2HD1  LEU  42          2HD1      LEU  42   2.360  -2.261   1.667
  291   3HD1  LEU  42          3HD1      LEU  42   0.986  -2.333   0.535
  292   1HD2  LEU  42          1HD2      LEU  42  -0.388  -4.652   0.364
  293   2HD2  LEU  42          2HD2      LEU  42   0.173  -6.029   1.344
  294   3HD2  LEU  42          3HD2      LEU  42  -0.548  -4.619   2.139
  295    H    GLY  43           H        GLY  43   3.874  -6.275   2.522
  296   1HA   GLY  43          1HA       GLY  43   4.015  -6.108   4.964
  297   2HA   GLY  43          2HA       GLY  43   3.743  -4.374   4.782
  298    H    THR  44           H        THR  44   6.347  -6.488   3.505
  299    HA   THR  44           HA       THR  44   8.513  -5.806   5.156
  300    HB   THR  44           HB       THR  44   8.581  -6.366   2.160
  301    HG1  THR  44           HG1      THR  44   8.901  -8.323   2.784
  302   1HG2  THR  44          1HG2      THR  44  11.028  -6.809   2.379
  303   2HG2  THR  44          2HG2      THR  44  10.665  -5.089   2.634
  304   3HG2  THR  44          3HG2      THR  44  11.019  -6.139   4.030
  305    H    VAL  45           H        VAL  45   6.887  -3.863   2.742
  306    HA   VAL  45           HA       VAL  45   8.840  -1.640   2.560
  307    HB   VAL  45           HB       VAL  45   5.861  -1.319   1.996
  308   1HG1  VAL  45          1HG1      VAL  45   7.880  -2.443  -0.046
  309   2HG1  VAL  45          2HG1      VAL  45   6.732  -3.453   0.842
  310   3HG1  VAL  45          3HG1      VAL  45   6.126  -2.201  -0.265
  311   1HG2  VAL  45          1HG2      VAL  45   6.529   0.357   0.353
  312   2HG2  VAL  45          2HG2      VAL  45   7.410   0.745   1.848
  313   3HG2  VAL  45          3HG2      VAL  45   8.256  -0.057   0.517
  314    H    MET  46           H        MET  46   5.763  -2.155   4.320
  315    HA   MET  46           HA       MET  46   5.630   0.348   5.758
  316   1HB   MET  46          1HB       MET  46   4.055  -0.726   7.314
  317   2HB   MET  46          2HB       MET  46   4.592  -2.329   6.843
  318   1HG   MET  46          1HG       MET  46   3.799  -1.459   4.363
  319   2HG   MET  46          2HG       MET  46   2.705  -2.245   5.512
  320   1HE   MET  46          1HE       MET  46   2.177  -0.643   7.731
  321   2HE   MET  46          2HE       MET  46   1.400   0.953   7.513
  322   3HE   MET  46          3HE       MET  46   0.563  -0.528   6.963
  323    NH1  ARG  47           NH1      ARG  47  12.780  -6.010  11.268
  324    NH2  ARG  47           NH2      ARG  47  13.880  -4.314  10.231
  325    H    ARG  47           H        ARG  47   7.619  -2.475   6.298
  326    HA   ARG  47           HA       ARG  47   8.343  -1.726   9.160
  327   1HB   ARG  47          1HB       ARG  47   7.938  -4.198   8.010
  328   2HB   ARG  47          2HB       ARG  47   9.676  -4.054   7.788
  329   1HG   ARG  47          1HG       ARG  47   8.176  -4.616  10.259
  330   2HG   ARG  47          2HG       ARG  47   9.241  -3.230  10.501
  331   1HD   ARG  47          1HD       ARG  47  10.376  -5.711   9.111
  332   2HD   ARG  47          2HD       ARG  47  10.141  -5.757  10.857
  333    HE   ARG  47           HE       ARG  47  11.619  -3.311  10.014
  334   1HH1  ARG  47          1HH1      ARG  47  13.713  -6.373  11.492
  335   2HH1  ARG  47          2HH1      ARG  47  11.879  -6.436  11.515
  336   1HH2  ARG  47          1HH2      ARG  47  13.821  -3.476   9.643
  337   2HH2  ARG  47          2HH2      ARG  47  14.735  -4.767  10.573
  338    H    MET  48           H        MET  48   9.685  -1.888   5.904
  339    HA   MET  48           HA       MET  48  12.522  -1.496   6.652
  340   1HB   MET  48          1HB       MET  48  11.635  -2.509   4.431
  341   2HB   MET  48          2HB       MET  48  11.345  -0.864   3.891
  342   1HG   MET  48          1HG       MET  48  13.474  -1.139   2.999
  343   2HG   MET  48          2HG       MET  48  13.960  -0.534   4.590
  344   1HE   MET  48          1HE       MET  48  14.123  -2.810   6.832
  345   2HE   MET  48          2HE       MET  48  15.764  -3.297   6.314
  346   3HE   MET  48          3HE       MET  48  15.270  -1.582   6.210
  347    H    LEU  49           H        LEU  49   9.924   0.622   6.778
  348    HA   LEU  49           HA       LEU  49  11.433   3.177   6.245
  349   1HB   LEU  49          1HB       LEU  49   8.831   3.217   7.779
  350   2HB   LEU  49          2HB       LEU  49   9.435   4.317   6.557
  351    HG   LEU  49           HG       LEU  49   8.138   1.568   6.096
  352   1HD1  LEU  49          1HD1      LEU  49   6.434   2.882   4.822
  353   2HD1  LEU  49          2HD1      LEU  49   6.546   3.459   6.494
  354   3HD1  LEU  49          3HD1      LEU  49   7.297   4.399   5.180
  355   1HD2  LEU  49          1HD2      LEU  49   9.461   3.367   3.955
  356   2HD2  LEU  49          2HD2      LEU  49  10.015   1.750   4.456
  357   3HD2  LEU  49          3HD2      LEU  49   8.461   1.929   3.628
  358    H    GLY  50           H        GLY  50  10.235   1.248   8.977
  359   1HA   GLY  50          1HA       GLY  50  12.282   1.251  10.836
  360   2HA   GLY  50          2HA       GLY  50  11.775   2.937  10.985
  361    H    GLN  51           H        GLN  51  10.252  -0.286  10.820
  362    HA   GLN  51           HA       GLN  51   8.591   0.335  13.317
  363   1HB   GLN  51          1HB       GLN  51   7.481  -0.628  10.629
  364   2HB   GLN  51          2HB       GLN  51   6.680  -1.020  12.141
  365   1HG   GLN  51          1HG       GLN  51   5.519   0.899  11.531
  366   2HG   GLN  51          2HG       GLN  51   6.701   1.577  12.631
  367   1HE2  GLN  51          1HE2      GLN  51   6.735   3.786   9.610
  368   2HE2  GLN  51          2HE2      GLN  51   5.514   3.256  10.873
  369    H    ASN  52           H        ASN  52   7.328  -1.979  13.645
  370    HA   ASN  52           HA       ASN  52   9.582  -4.012  13.895
  371   1HB   ASN  52          1HB       ASN  52   7.300  -3.905  15.900
  372   2HB   ASN  52          2HB       ASN  52   8.528  -2.658  15.968
  373   1HD2  ASN  52          1HD2      ASN  52   9.385  -5.770  18.105
  374   2HD2  ASN  52          2HD2      ASN  52   7.999  -4.572  18.002
  375    HA   PRO  53           HA       PRO  53   4.950  -6.081  12.580
  376   1HB   PRO  53          1HB       PRO  53   4.346  -5.576  10.267
  377   2HB   PRO  53          2HB       PRO  53   6.014  -5.091   9.887
  378   1HG   PRO  53          1HG       PRO  53   5.070  -2.961  10.277
  379   2HG   PRO  53          2HG       PRO  53   3.992  -3.511  11.585
  380   1HD   PRO  53          1HD       PRO  53   5.756  -2.759  12.980
  381   2HD   PRO  53          2HD       PRO  53   6.950  -2.825  11.640
  382    H    THR  54           H        THR  54   5.197  -8.212  12.302
  383    HA   THR  54           HA       THR  54   7.983  -9.321  11.851
  384    HB   THR  54           HB       THR  54   5.800 -11.198  12.679
  385    HG1  THR  54           HG1      THR  54   6.567  -8.924  14.098
  386   1HG2  THR  54          1HG2      THR  54   7.510 -12.047  14.252
  387   2HG2  THR  54          2HG2      THR  54   8.194 -11.960  12.613
  388   3HG2  THR  54          3HG2      THR  54   8.623 -10.726  13.824
  389    H    LYS  55           H        LYS  55   7.763 -11.705  10.889
  390    HA   LYS  55           HA       LYS  55   6.782 -11.367   8.049
  391   1HB   LYS  55          1HB       LYS  55   8.506 -13.527   9.394
  392   2HB   LYS  55          2HB       LYS  55   7.942 -13.675   7.743
  393   1HG   LYS  55          1HG       LYS  55   9.107 -11.165   7.619
  394   2HG   LYS  55          2HG       LYS  55   9.896 -12.665   7.174
  395   1HD   LYS  55          1HD       LYS  55  10.569 -12.711   9.817
  396   2HD   LYS  55          2HD       LYS  55  11.519 -11.888   8.590
  397   1HE   LYS  55          1HE       LYS  55   9.853  -9.806   9.216
  398   2HE   LYS  55          2HE       LYS  55   9.783 -10.660  10.758
  399   1HZ   LYS  55          1HZ       LYS  55  12.378 -10.032   9.447
  400   2HZ   LYS  55          2HZ       LYS  55  11.620  -8.959  10.449
  401   3HZ   LYS  55          3HZ       LYS  55  12.108 -10.427  11.028
  402    H    GLU  56           H        GLU  56   6.335 -13.508  10.857
  403    HA   GLU  56           HA       GLU  56   4.395 -15.370   9.642
  404   1HB   GLU  56          1HB       GLU  56   5.536 -16.216  11.523
  405   2HB   GLU  56          2HB       GLU  56   5.240 -14.794  12.503
  406   1HG   GLU  56          1HG       GLU  56   2.634 -15.591  12.217
  407   2HG   GLU  56          2HG       GLU  56   3.396 -17.145  11.928
  408    H    GLU  57           H        GLU  57   4.196 -12.268  11.288
  409    HA   GLU  57           HA       GLU  57   1.201 -12.206  11.430
  410   1HB   GLU  57          1HB       GLU  57   1.417  -9.953  12.327
  411   2HB   GLU  57          2HB       GLU  57   3.095  -9.835  11.838
  412   1HG   GLU  57          1HG       GLU  57   3.407 -11.973  13.475
  413   2HG   GLU  57          2HG       GLU  57   3.425 -10.324  14.078
  414    H    LEU  58           H        LEU  58   3.760 -11.142   9.271
  415    HA   LEU  58           HA       LEU  58   2.271  -9.307   7.552
  416   1HB   LEU  58          1HB       LEU  58   4.911 -10.284   7.623
  417   2HB   LEU  58          2HB       LEU  58   4.301 -10.975   6.135
  418    HG   LEU  58           HG       LEU  58   5.393  -8.875   5.597
  419   1HD1  LEU  58          1HD1      LEU  58   3.517  -7.372   7.530
  420   2HD1  LEU  58          2HD1      LEU  58   5.174  -7.839   7.943
  421   3HD1  LEU  58          3HD1      LEU  58   4.884  -6.698   6.607
  422   1HD2  LEU  58          1HD2      LEU  58   3.626  -7.622   4.410
  423   2HD2  LEU  58          2HD2      LEU  58   3.223  -9.355   4.338
  424   3HD2  LEU  58          3HD2      LEU  58   2.363  -8.296   5.471
  425    H    ASP  59           H        ASP  59   2.578 -12.816   7.669
  426    HA   ASP  59           HA       ASP  59   1.293 -13.443   5.101
  427   1HB   ASP  59          1HB       ASP  59   2.782 -15.060   6.317
  428   2HB   ASP  59          2HB       ASP  59   1.286 -15.739   5.720
  429    H    ALA  60           H        ALA  60   0.118 -12.829   8.360
  430    HA   ALA  60           HA       ALA  60  -2.718 -13.564   7.974
  431   1HB   ALA  60          1HB       ALA  60  -3.135 -12.206  10.019
  432   2HB   ALA  60          2HB       ALA  60  -1.754 -13.298  10.238
  433   3HB   ALA  60          3HB       ALA  60  -1.478 -11.559   9.967
  434    H    ILE  61           H        ILE  61  -0.911 -10.486   7.745
  435    HA   ILE  61           HA       ILE  61  -2.939  -8.631   7.110
  436    HB   ILE  61           HB       ILE  61  -0.222  -8.424   7.247
  437   1HG1  ILE  61          1HG1      ILE  61  -1.728  -6.166   5.824
  438   2HG1  ILE  61          2HG1      ILE  61  -2.224  -6.625   7.439
  439   1HG2  ILE  61          1HG2      ILE  61   0.690  -7.544   5.082
  440   2HG2  ILE  61          2HG2      ILE  61   0.184  -9.224   4.907
  441   3HG2  ILE  61          3HG2      ILE  61  -0.844  -7.924   4.261
  442   1HD1  ILE  61          1HD1      ILE  61   0.589  -5.611   6.725
  443   2HD1  ILE  61          2HD1      ILE  61  -0.681  -4.756   7.626
  444   3HD1  ILE  61          3HD1      ILE  61   0.093  -6.190   8.339
  445    H    ILE  62           H        ILE  62  -1.340 -11.052   5.104
  446    HA   ILE  62           HA       ILE  62  -2.173 -10.224   2.433
  447    HB   ILE  62           HB       ILE  62  -1.138 -12.777   3.614
  448   1HG1  ILE  62          1HG1      ILE  62   0.607 -11.485   2.663
  449   2HG1  ILE  62          2HG1      ILE  62  -0.381 -10.884   1.349
  450   1HG2  ILE  62          1HG2      ILE  62  -1.626 -14.155   1.576
  451   2HG2  ILE  62          2HG2      ILE  62  -3.126 -13.675   2.367
  452   3HG2  ILE  62          3HG2      ILE  62  -2.603 -12.832   0.891
  453   1HD1  ILE  62          1HD1      ILE  62  -0.254 -13.026   0.110
  454   2HD1  ILE  62          2HD1      ILE  62   1.372 -12.445   0.526
  455   3HD1  ILE  62          3HD1      ILE  62   0.647 -13.778   1.455
  456    H    GLU  63           H        GLU  63  -3.674 -12.444   4.792
  457    HA   GLU  63           HA       GLU  63  -5.998 -13.323   3.437
  458   1HB   GLU  63          1HB       GLU  63  -5.158 -13.744   5.923
  459   2HB   GLU  63          2HB       GLU  63  -6.284 -12.467   6.339
  460   1HG   GLU  63          1HG       GLU  63  -7.089 -14.974   6.455
  461   2HG   GLU  63          2HG       GLU  63  -7.194 -14.909   4.704
  462    H    GLU  64           H        GLU  64  -5.548 -10.247   5.174
  463    HA   GLU  64           HA       GLU  64  -8.273  -9.215   4.806
  464   1HB   GLU  64          1HB       GLU  64  -5.888  -7.372   5.230
  465   2HB   GLU  64          2HB       GLU  64  -6.375  -8.481   6.497
  466   1HG   GLU  64          1HG       GLU  64  -7.342  -6.177   6.787
  467   2HG   GLU  64          2HG       GLU  64  -8.174  -6.307   5.247
  468    H    VAL  65           H        VAL  65  -5.250  -8.903   2.996
  469    HA   VAL  65           HA       VAL  65  -6.051  -6.770   1.141
  470    HB   VAL  65           HB       VAL  65  -3.810  -8.825   1.054
  471   1HG1  VAL  65          1HG1      VAL  65  -3.652  -5.743   1.138
  472   2HG1  VAL  65          2HG1      VAL  65  -3.656  -6.768   2.585
  473   3HG1  VAL  65          3HG1      VAL  65  -2.330  -6.907   1.405
  474   1HG2  VAL  65          1HG2      VAL  65  -2.911  -7.937  -1.040
  475   2HG2  VAL  65          2HG2      VAL  65  -4.602  -8.382  -1.369
  476   3HG2  VAL  65          3HG2      VAL  65  -4.170  -6.682  -1.141
  477    H    ASP  66           H        ASP  66  -5.321 -10.113   0.122
  478    HA   ASP  66           HA       ASP  66  -7.701 -10.046  -1.792
  479   1HB   ASP  66          1HB       ASP  66  -5.195 -10.579  -2.551
  480   2HB   ASP  66          2HB       ASP  66  -5.539 -12.182  -1.943
  481    H    GLU  67           H        GLU  67  -9.098 -10.373   0.013
  482    HA   GLU  67           HA       GLU  67  -9.123 -12.958   1.542
  483   1HB   GLU  67          1HB       GLU  67 -10.131 -11.444   2.897
  484   2HB   GLU  67          2HB       GLU  67 -10.707 -10.438   1.583
  485   1HG   GLU  67          1HG       GLU  67 -12.677 -11.884   1.221
  486   2HG   GLU  67          2HG       GLU  67 -12.043 -13.124   2.291
  487    H    ASP  68           H        ASP  68 -11.233 -11.420  -0.910
  488    HA   ASP  68           HA       ASP  68 -11.467 -13.959  -2.495
  489   1HB   ASP  68          1HB       ASP  68 -14.103 -13.792  -2.389
  490   2HB   ASP  68          2HB       ASP  68 -13.851 -12.949  -0.878
  491    H    GLY  69           H        GLY  69 -10.459 -11.280  -2.845
  492   1HA   GLY  69          1HA       GLY  69 -11.652 -10.542  -5.458
  493   2HA   GLY  69          2HA       GLY  69 -12.164  -9.385  -4.224
  494    H    SER  70           H        SER  70 -10.934  -7.973  -5.717
  495    HA   SER  70           HA       SER  70  -9.088  -6.470  -6.098
  496   1HB   SER  70          1HB       SER  70  -8.925  -6.985  -3.432
  497   2HB   SER  70          2HB       SER  70  -7.383  -7.687  -3.928
  498    HG   SER  70           HG       SER  70  -7.064  -5.563  -3.548
  499    H    GLY  71           H        GLY  71  -6.385  -6.881  -6.025
  500   1HA   GLY  71          1HA       GLY  71  -5.529  -8.143  -8.381
  501   2HA   GLY  71          2HA       GLY  71  -5.652  -9.528  -7.291
  502    H    THR  72           H        THR  72  -4.063  -6.442  -7.826
  503    HA   THR  72           HA       THR  72  -1.615  -7.419  -6.339
  504    HB   THR  72           HB       THR  72  -1.378  -4.843  -7.823
  505    HG1  THR  72           HG1      THR  72  -1.442  -5.806  -9.776
  506   1HG2  THR  72          1HG2      THR  72   0.815  -5.393  -8.047
  507   2HG2  THR  72          2HG2      THR  72   0.525  -6.725  -6.907
  508   3HG2  THR  72          3HG2      THR  72   0.453  -7.020  -8.664
  509    H    ILE  73           H        ILE  73  -0.587  -4.719  -5.930
  510    HA   ILE  73           HA       ILE  73  -2.538  -3.477  -3.983
  511    HB   ILE  73           HB       ILE  73  -0.945  -5.058  -2.767
  512   1HG1  ILE  73          1HG1      ILE  73  -2.397  -3.074  -1.826
  513   2HG1  ILE  73          2HG1      ILE  73  -1.234  -3.892  -0.798
  514   1HG2  ILE  73          1HG2      ILE  73   1.305  -4.306  -2.090
  515   2HG2  ILE  73          2HG2      ILE  73   1.242  -4.404  -3.855
  516   3HG2  ILE  73          3HG2      ILE  73   1.159  -2.817  -3.053
  517   1HD1  ILE  73          1HD1      ILE  73  -0.585  -1.748  -0.237
  518   2HD1  ILE  73          2HD1      ILE  73   0.398  -1.869  -1.712
  519   3HD1  ILE  73          3HD1      ILE  73  -1.179  -1.045  -1.768
  520    H    ASP  74           H        ASP  74  -2.703  -1.381  -4.252
  521    HA   ASP  74           HA       ASP  74  -0.806   0.015  -6.193
  522   1HB   ASP  74          1HB       ASP  74  -3.128   1.610  -5.840
  523   2HB   ASP  74          2HB       ASP  74  -3.646  -0.083  -6.096
  524    H    PHE  75           H        PHE  75  -0.892   2.515  -5.781
  525    HA   PHE  75           HA       PHE  75   0.525   2.995  -3.213
  526   1HB   PHE  75          1HB       PHE  75  -0.315   5.292  -5.019
  527   2HB   PHE  75          2HB       PHE  75   0.793   4.115  -5.674
  528    HD1  PHE  75           HD1      PHE  75   1.070   4.579  -2.026
  529    HD2  PHE  75           HD2      PHE  75   2.423   6.097  -5.820
  530    HE1  PHE  75           HE1      PHE  75   2.821   5.884  -0.892
  531    HE2  PHE  75           HE2      PHE  75   4.125   7.447  -4.659
  532    HZ   PHE  75           HZ       PHE  75   4.331   7.340  -2.201
  533    H    GLU  76           H        GLU  76  -2.680   3.570  -4.543
  534    HA   GLU  76           HA       GLU  76  -3.744   5.451  -2.585
  535   1HB   GLU  76          1HB       GLU  76  -5.230   5.406  -4.277
  536   2HB   GLU  76          2HB       GLU  76  -6.028   4.213  -3.273
  537   1HG   GLU  76          1HG       GLU  76  -4.312   3.705  -5.775
  538   2HG   GLU  76          2HG       GLU  76  -4.699   2.402  -4.664
  539    H    GLU  77           H        GLU  77  -4.478   1.963  -2.829
  540    HA   GLU  77           HA       GLU  77  -5.502   1.480  -0.182
  541   1HB   GLU  77          1HB       GLU  77  -5.747  -0.225  -1.869
  542   2HB   GLU  77          2HB       GLU  77  -4.015  -0.415  -2.061
  543   1HG   GLU  77          1HG       GLU  77  -4.651  -2.323  -0.795
  544   2HG   GLU  77          2HG       GLU  77  -3.954  -1.257   0.413
  545    H    PHE  78           H        PHE  78  -2.198   1.776  -1.353
  546    HA   PHE  78           HA       PHE  78  -0.736   0.631   0.877
  547   1HB   PHE  78          1HB       PHE  78   0.012   2.604  -1.317
  548   2HB   PHE  78          2HB       PHE  78   0.533   0.954  -1.093
  549    HD1  PHE  78           HD1      PHE  78   2.158   3.700  -1.474
  550    HD2  PHE  78           HD2      PHE  78   1.365   1.163   1.910
  551    HE1  PHE  78           HE1      PHE  78   4.171   4.558  -0.344
  552    HE2  PHE  78           HE2      PHE  78   3.459   1.922   2.956
  553    HZ   PHE  78           HZ       PHE  78   4.831   3.663   1.864
  554    H    LEU  79           H        LEU  79  -1.892   3.933   0.241
  555    HA   LEU  79           HA       LEU  79  -0.767   5.200   2.691
  556   1HB   LEU  79          1HB       LEU  79  -3.162   6.264   1.104
  557   2HB   LEU  79          2HB       LEU  79  -2.052   7.164   2.115
  558    HG   LEU  79           HG       LEU  79  -0.641   5.799  -0.132
  559   1HD1  LEU  79          1HD1      LEU  79  -0.800   8.787   0.621
  560   2HD1  LEU  79          2HD1      LEU  79   0.337   7.635   1.345
  561   3HD1  LEU  79          3HD1      LEU  79   0.437   8.003  -0.395
  562   1HD2  LEU  79          1HD2      LEU  79  -1.539   7.124  -1.997
  563   2HD2  LEU  79          2HD2      LEU  79  -2.914   6.281  -1.243
  564   3HD2  LEU  79          3HD2      LEU  79  -2.655   8.001  -0.920
  565    H    VAL  80           H        VAL  80  -3.760   3.596   1.747
  566    HA   VAL  80           HA       VAL  80  -5.479   4.312   3.978
  567    HB   VAL  80           HB       VAL  80  -5.533   1.817   2.213
  568   1HG1  VAL  80          1HG1      VAL  80  -7.845   1.378   3.065
  569   2HG1  VAL  80          2HG1      VAL  80  -6.659   1.229   4.368
  570   3HG1  VAL  80          3HG1      VAL  80  -7.673   2.686   4.264
  571   1HG2  VAL  80          1HG2      VAL  80  -7.368   4.303   2.191
  572   2HG2  VAL  80          2HG2      VAL  80  -6.096   3.956   0.997
  573   3HG2  VAL  80          3HG2      VAL  80  -7.498   2.884   1.122
  574    H    MET  81           H        MET  81  -2.991   1.851   3.547
  575    HA   MET  81           HA       MET  81  -3.502   0.357   6.064
  576   1HB   MET  81          1HB       MET  81  -0.880   0.267   4.478
  577   2HB   MET  81          2HB       MET  81  -1.537  -0.947   5.561
  578   1HG   MET  81          1HG       MET  81  -2.252  -0.385   2.676
  579   2HG   MET  81          2HG       MET  81  -3.588  -0.898   3.721
  580   1HE   MET  81          1HE       MET  81  -3.492  -4.461   3.496
  581   2HE   MET  81          2HE       MET  81  -4.307  -2.883   3.293
  582   3HE   MET  81          3HE       MET  81  -3.424  -3.611   1.920
  583    H    MET  82           H        MET  82  -1.428   3.009   5.031
  584    HA   MET  82           HA       MET  82   0.467   3.073   7.249
  585   1HB   MET  82          1HB       MET  82  -0.335   5.032   5.094
  586   2HB   MET  82          2HB       MET  82   0.438   5.710   6.515
  587   1HG   MET  82          1HG       MET  82   1.968   5.031   4.505
  588   2HG   MET  82          2HG       MET  82   1.716   3.353   5.012
  589   1HE   MET  82          1HE       MET  82   3.923   2.754   5.352
  590   2HE   MET  82          2HE       MET  82   5.004   3.248   6.688
  591   3HE   MET  82          3HE       MET  82   3.559   2.253   7.033
  592    H    VAL  83           H        VAL  83  -2.459   5.045   6.648
  593    HA   VAL  83           HA       VAL  83  -2.546   6.394   9.240
  594    HB   VAL  83           HB       VAL  83  -5.107   5.890   7.693
  595   1HG1  VAL  83          1HG1      VAL  83  -3.048   7.999   6.793
  596   2HG1  VAL  83          2HG1      VAL  83  -3.260   6.444   5.977
  597   3HG1  VAL  83          3HG1      VAL  83  -4.610   7.602   6.031
  598   1HG2  VAL  83          1HG2      VAL  83  -5.731   8.146   8.388
  599   2HG2  VAL  83          2HG2      VAL  83  -5.103   7.332   9.839
  600   3HG2  VAL  83          3HG2      VAL  83  -4.088   8.501   8.983
  601    NH1  ARG  84           NH1      ARG  84  -9.199  -1.301   8.151
  602    NH2  ARG  84           NH2      ARG  84 -10.299   0.337   7.025
  603    H    ARG  84           H        ARG  84  -3.894   3.355   8.023
  604    HA   ARG  84           HA       ARG  84  -5.662   2.578  10.229
  605   1HB   ARG  84          1HB       ARG  84  -4.399   1.208   7.900
  606   2HB   ARG  84          2HB       ARG  84  -4.547   0.166   9.308
  607   1HG   ARG  84          1HG       ARG  84  -6.938   0.373   9.421
  608   2HG   ARG  84          2HG       ARG  84  -6.968   1.798   8.379
  609   1HD   ARG  84          1HD       ARG  84  -5.894   0.158   6.539
  610   2HD   ARG  84          2HD       ARG  84  -6.518  -1.127   7.571
  611    HE   ARG  84           HE       ARG  84  -8.143   0.606   5.817
  612   1HH1  ARG  84          1HH1      ARG  84 -10.120  -1.550   8.530
  613   2HH1  ARG  84          2HH1      ARG  84  -8.302  -1.746   8.374
  614   1HH2  ARG  84          1HH2      ARG  84 -10.248   1.118   6.361
  615   2HH2  ARG  84          2HH2      ARG  84 -11.136  -0.004   7.510
  616    H    GLN  85           H        GLN  85  -2.166   2.394   9.752
  617    HA   GLN  85           HA       GLN  85  -1.619   0.553  12.051
  618   1HB   GLN  85          1HB       GLN  85   0.648   2.205  10.964
  619   2HB   GLN  85          2HB       GLN  85  -0.201   1.234   9.774
  620   1HG   GLN  85          1HG       GLN  85   0.793  -0.041  12.377
  621   2HG   GLN  85          2HG       GLN  85   1.889   0.219  11.036
  622   1HE2  GLN  85          1HE2      GLN  85   0.128  -3.232  10.883
  623   2HE2  GLN  85          2HE2      GLN  85   0.981  -2.303  12.216
  624    H    MET  86           H        MET  86  -1.366   4.028  11.367
  625    HA   MET  86           HA       MET  86   0.098   4.952  13.681
  626   1HB   MET  86          1HB       MET  86  -1.750   6.264  11.702
  627   2HB   MET  86          2HB       MET  86  -1.599   7.088  13.244
  628   1HG   MET  86          1HG       MET  86   0.544   6.614  11.128
  629   2HG   MET  86          2HG       MET  86   1.055   6.775  12.816
  630   1HE   MET  86          1HE       MET  86   1.740   9.951  10.682
  631   2HE   MET  86          2HE       MET  86   2.182   9.893  12.414
  632   3HE   MET  86          3HE       MET  86   2.374   8.435  11.397
  633    H    LYS  87           H        LYS  87  -3.292   4.115  13.242
  634    HA   LYS  87           HA       LYS  87  -4.343   5.099  15.813
  635   1HB   LYS  87          1HB       LYS  87  -6.007   4.678  14.176
  636   2HB   LYS  87          2HB       LYS  87  -5.380   3.099  13.754
  637   1HG   LYS  87          1HG       LYS  87  -6.919   3.862  16.302
  638   2HG   LYS  87          2HG       LYS  87  -6.117   2.314  16.130
  639   1HD   LYS  87          1HD       LYS  87  -8.724   3.220  15.021
  640   2HD   LYS  87          2HD       LYS  87  -7.690   2.564  13.761
  641   1HE   LYS  87          1HE       LYS  87  -7.311   0.491  15.326
  642   2HE   LYS  87          2HE       LYS  87  -8.670   1.091  16.278
  643   1HZ   LYS  87          1HZ       LYS  87  -9.829  -0.141  14.799
  644   2HZ   LYS  87          2HZ       LYS  87  -9.701   1.164  13.795
  645   3HZ   LYS  87          3HZ       LYS  87  -8.662  -0.109  13.631
  646    H    GLU  88           H        GLU  88  -3.695   1.732  14.749
  647    HA   GLU  88           HA       GLU  88  -3.711   0.613  17.510
  648   1HB   GLU  88          1HB       GLU  88  -4.125  -0.515  15.053
  649   2HB   GLU  88          2HB       GLU  88  -2.450  -0.974  15.286
  650   1HG   GLU  88          1HG       GLU  88  -2.939  -2.352  17.186
  651   2HG   GLU  88          2HG       GLU  88  -4.444  -1.522  17.542
  652    H    ASP  89           H        ASP  89  -1.701  -0.834  18.034
  653    HA   ASP  89           HA       ASP  89   0.532  -0.864  18.921
  654   1HB   ASP  89          1HB       ASP  89   2.348  -0.600  17.315
  655   2HB   ASP  89          2HB       ASP  89   1.349   0.329  16.220
  656    H    ALA  90           H        ALA  90  -1.025   1.277  19.700
  657    HA   ALA  90           HA       ALA  90   0.522   3.861  19.554
  658   1HB   ALA  90          1HB       ALA  90  -1.846   4.227  19.787
  659   2HB   ALA  90          2HB       ALA  90  -2.020   3.003  21.060
  660   3HB   ALA  90          3HB       ALA  90  -1.218   4.551  21.422
   
  Start of MODEL          14
 Raw file had  660 H/Q atoms
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1 -22.987  -2.498   0.236
    2   2H    ALA   1          2H        ALA   1 -22.621  -0.875  -0.006
    3   3H    ALA   1          3H        ALA   1 -22.348  -1.990  -1.234
    4    HA   ALA   1           HA       ALA   1 -20.842  -1.444   1.203
    5   1HB   ALA   1          1HB       ALA   1 -19.750  -3.834   0.794
    6   2HB   ALA   1          2HB       ALA   1 -21.246  -3.718   1.741
    7   3HB   ALA   1          3HB       ALA   1 -21.309  -4.244   0.039
    8    H    SER   2           H        SER   2 -19.657   0.063   0.172
    9    HA   SER   2           HA       SER   2 -17.678  -0.762  -1.948
   10   1HB   SER   2          1HB       SER   2 -19.155   1.669  -2.852
   11   2HB   SER   2          2HB       SER   2 -18.500   0.316  -3.777
   12    HG   SER   2           HG       SER   2 -20.752   0.361  -3.779
   13    H    MET   3           H        MET   3 -15.844   0.305  -1.663
   14    HA   MET   3           HA       MET   3 -15.658   2.660   0.267
   15   1HB   MET   3          1HB       MET   3 -13.484   0.853  -0.931
   16   2HB   MET   3          2HB       MET   3 -13.123   2.316  -0.035
   17   1HG   MET   3          1HG       MET   3 -14.725   1.142   1.847
   18   2HG   MET   3          2HG       MET   3 -12.986   0.828   1.731
   19   1HE   MET   3          1HE       MET   3 -11.992  -1.041   1.718
   20   2HE   MET   3          2HE       MET   3 -13.028  -2.242   2.545
   21   3HE   MET   3          3HE       MET   3 -12.410  -2.580   0.901
   22    H    THR   4           H        THR   4 -16.856   3.892  -1.380
   23    HA   THR   4           HA       THR   4 -15.526   4.637  -3.956
   24    HB   THR   4           HB       THR   4 -17.396   5.956  -4.491
   25    HG1  THR   4           HG1      THR   4 -18.880   6.642  -3.016
   26   1HG2  THR   4          1HG2      THR   4 -19.417   4.601  -4.093
   27   2HG2  THR   4          2HG2      THR   4 -18.057   3.518  -4.465
   28   3HG2  THR   4          3HG2      THR   4 -18.630   3.691  -2.785
   29    H    ASP   5           H        ASP   5 -15.181   5.582  -0.704
   30    HA   ASP   5           HA       ASP   5 -13.432   7.908  -1.447
   31   1HB   ASP   5          1HB       ASP   5 -14.697   9.322   0.470
   32   2HB   ASP   5          2HB       ASP   5 -15.076   9.452  -1.232
   33    H    GLN   6           H        GLN   6 -13.138   5.277  -0.321
   34    HA   GLN   6           HA       GLN   6 -12.290   5.659   2.568
   35   1HB   GLN   6          1HB       GLN   6 -13.258   3.444   1.485
   36   2HB   GLN   6          2HB       GLN   6 -11.635   3.219   0.858
   37   1HG   GLN   6          1HG       GLN   6 -11.313   2.056   2.797
   38   2HG   GLN   6          2HG       GLN   6 -10.938   3.633   3.461
   39   1HE2  GLN   6          1HE2      GLN   6 -13.729   1.648   5.383
   40   2HE2  GLN   6          2HE2      GLN   6 -12.099   1.160   4.696
   41    H    GLN   7           H        GLN   7 -10.963   5.455  -0.692
   42    HA   GLN   7           HA       GLN   7  -8.113   5.176  -0.043
   43   1HB   GLN   7          1HB       GLN   7  -7.822   6.244  -2.446
   44   2HB   GLN   7          2HB       GLN   7  -8.461   4.622  -2.243
   45   1HG   GLN   7          1HG       GLN   7 -10.510   5.140  -3.123
   46   2HG   GLN   7          2HG       GLN   7 -10.637   6.661  -2.264
   47   1HE2  GLN   7          1HE2      GLN   7 -10.197   8.267  -5.440
   48   2HE2  GLN   7          2HE2      GLN   7 -11.271   7.934  -3.991
   49    H    ALA   8           H        ALA   8 -10.290   7.935  -0.397
   50    HA   ALA   8           HA       ALA   8  -8.199  10.046  -0.465
   51   1HB   ALA   8          1HB       ALA   8 -10.463  11.451   0.140
   52   2HB   ALA   8          2HB       ALA   8 -10.060  10.901  -1.499
   53   3HB   ALA   8          3HB       ALA   8 -11.214   9.973  -0.507
   54    H    GLU   9           H        GLU   9 -10.180   8.479   1.986
   55    HA   GLU   9           HA       GLU   9 -10.082  10.340   4.175
   56   1HB   GLU   9          1HB       GLU   9 -11.557   8.594   4.550
   57   2HB   GLU   9          2HB       GLU   9 -10.440   7.347   4.031
   58   1HG   GLU   9          1HG       GLU   9 -10.837   8.550   6.760
   59   2HG   GLU   9          2HG       GLU   9  -9.152   8.291   6.340
   60    H    ALA  10           H        ALA  10  -7.679   8.047   3.000
   61    HA   ALA  10           HA       ALA  10  -5.852   8.127   5.317
   62   1HB   ALA  10          1HB       ALA  10  -4.254   6.923   3.834
   63   2HB   ALA  10          2HB       ALA  10  -5.875   6.208   3.750
   64   3HB   ALA  10          3HB       ALA  10  -5.286   7.233   2.417
   65    NH1  ARG  11           NH1      ARG  11  -6.432  11.816  -3.809
   66    NH2  ARG  11           NH2      ARG  11  -5.998  13.937  -3.120
   67    H    ARG  11           H        ARG  11  -5.912   9.759   2.150
   68    HA   ARG  11           HA       ARG  11  -3.296  11.094   2.263
   69   1HB   ARG  11          1HB       ARG  11  -5.827  11.575   0.615
   70   2HB   ARG  11          2HB       ARG  11  -4.524  12.755   0.593
   71   1HG   ARG  11          1HG       ARG  11  -2.951  11.274  -0.405
   72   2HG   ARG  11          2HG       ARG  11  -3.833   9.824   0.078
   73   1HD   ARG  11          1HD       ARG  11  -4.189  10.099  -2.319
   74   2HD   ARG  11          2HD       ARG  11  -5.722  10.456  -1.527
   75    HE   ARG  11           HE       ARG  11  -3.926  12.818  -2.182
   76   1HH1  ARG  11          1HH1      ARG  11  -6.785  14.208  -3.720
   77   2HH1  ARG  11          2HH1      ARG  11  -5.411  14.562  -2.557
   78   1HH2  ARG  11          1HH2      ARG  11  -6.269  10.812  -3.675
   79   2HH2  ARG  11          2HH2      ARG  11  -7.091  12.249  -4.467
   80    H    ALA  12           H        ALA  12  -6.536  11.941   3.380
   81    HA   ALA  12           HA       ALA  12  -6.078  14.802   3.953
   82   1HB   ALA  12          1HB       ALA  12  -8.215  14.701   5.218
   83   2HB   ALA  12          2HB       ALA  12  -8.365  13.899   3.642
   84   3HB   ALA  12          3HB       ALA  12  -8.224  12.923   5.126
   85    H    PHE  13           H        PHE  13  -5.510  11.814   5.705
   86    HA   PHE  13           HA       PHE  13  -5.320  12.927   8.424
   87   1HB   PHE  13          1HB       PHE  13  -4.071  10.296   7.442
   88   2HB   PHE  13          2HB       PHE  13  -5.778  10.469   7.753
   89    HD1  PHE  13           HD1      PHE  13  -4.687  12.602  10.203
   90    HD2  PHE  13           HD2      PHE  13  -4.296   8.427   9.232
   91    HE1  PHE  13           HE1      PHE  13  -4.381  12.065  12.585
   92    HE2  PHE  13           HE2      PHE  13  -4.011   7.909  11.619
   93    HZ   PHE  13           HZ       PHE  13  -4.057   9.721  13.299
   94    H    LEU  14           H        LEU  14  -3.004  12.225   5.840
   95    HA   LEU  14           HA       LEU  14  -0.654  13.211   7.536
   96   1HB   LEU  14          1HB       LEU  14  -0.209  11.012   6.692
   97   2HB   LEU  14          2HB       LEU  14   0.805  12.131   5.808
   98    HG   LEU  14           HG       LEU  14  -1.676  10.640   4.786
   99   1HD1  LEU  14          1HD1      LEU  14  -1.491  11.878   2.623
  100   2HD1  LEU  14          2HD1      LEU  14  -1.880  12.990   3.949
  101   3HD1  LEU  14          3HD1      LEU  14  -0.221  12.929   3.302
  102   1HD2  LEU  14          1HD2      LEU  14   1.245  10.718   3.772
  103   2HD2  LEU  14          2HD2      LEU  14   0.475   9.376   4.652
  104   3HD2  LEU  14          3HD2      LEU  14  -0.089   9.800   3.029
  105    H    SER  15           H        SER  15   0.993  14.446   6.292
  106    HA   SER  15           HA       SER  15  -0.286  16.809   4.950
  107   1HB   SER  15          1HB       SER  15   2.544  16.263   5.975
  108   2HB   SER  15          2HB       SER  15   2.147  17.714   5.051
  109    HG   SER  15           HG       SER  15   0.240  17.498   6.807
  110    H    GLU  16           H        GLU  16   0.547  17.705   2.973
  111    HA   GLU  16           HA       GLU  16   0.766  15.734   0.773
  112   1HB   GLU  16          1HB       GLU  16   1.322  18.648   0.227
  113   2HB   GLU  16          2HB       GLU  16  -0.251  18.252   0.888
  114   1HG   GLU  16          1HG       GLU  16  -0.283  16.419  -1.115
  115   2HG   GLU  16          2HG       GLU  16  -0.784  18.084  -1.357
  116    H    GLU  17           H        GLU  17   2.952  17.878   2.490
  117    HA   GLU  17           HA       GLU  17   5.244  17.827   0.655
  118   1HB   GLU  17          1HB       GLU  17   5.519  19.539   2.156
  119   2HB   GLU  17          2HB       GLU  17   4.901  18.637   3.525
  120   1HG   GLU  17          1HG       GLU  17   7.569  17.696   2.423
  121   2HG   GLU  17          2HG       GLU  17   6.997  17.735   4.082
  122    H    MET  18           H        MET  18   4.154  15.697   3.244
  123    HA   MET  18           HA       MET  18   6.605  14.025   3.401
  124   1HB   MET  18          1HB       MET  18   3.794  13.728   4.570
  125   2HB   MET  18          2HB       MET  18   5.297  14.102   5.396
  126   1HG   MET  18          1HG       MET  18   5.039  11.383   4.013
  127   2HG   MET  18          2HG       MET  18   4.229  11.659   5.564
  128   1HE   MET  18          1HE       MET  18   6.635  11.061   8.124
  129   2HE   MET  18          2HE       MET  18   5.009  10.913   7.393
  130   3HE   MET  18          3HE       MET  18   6.265   9.696   7.024
  131    H    ILE  19           H        ILE  19   3.527  13.900   1.686
  132    HA   ILE  19           HA       ILE  19   3.608  11.249   0.487
  133    HB   ILE  19           HB       ILE  19   2.512  13.833  -0.735
  134   1HG1  ILE  19          1HG1      ILE  19   1.249  11.692   1.062
  135   2HG1  ILE  19          2HG1      ILE  19   1.185  13.434   1.221
  136   1HG2  ILE  19          1HG2      ILE  19   1.220  12.384  -2.319
  137   2HG2  ILE  19          2HG2      ILE  19   2.952  12.137  -2.539
  138   3HG2  ILE  19          3HG2      ILE  19   1.998  10.926  -1.654
  139   1HD1  ILE  19          1HD1      ILE  19  -0.375  11.837  -0.893
  140   2HD1  ILE  19          2HD1      ILE  19  -1.017  12.659   0.544
  141   3HD1  ILE  19          3HD1      ILE  19  -0.333  13.618  -0.790
  142    H    ALA  20           H        ALA  20   5.153  14.324  -0.393
  143    HA   ALA  20           HA       ALA  20   6.261  13.854  -2.937
  144   1HB   ALA  20          1HB       ALA  20   7.680  15.661  -2.553
  145   2HB   ALA  20          2HB       ALA  20   6.489  15.915  -1.263
  146   3HB   ALA  20          3HB       ALA  20   8.073  15.192  -0.882
  147    H    GLU  21           H        GLU  21   8.098  13.270   0.091
  148    HA   GLU  21           HA       GLU  21  10.265  11.782  -1.260
  149   1HB   GLU  21          1HB       GLU  21  10.727  13.171   0.696
  150   2HB   GLU  21          2HB       GLU  21  11.285  11.525   0.918
  151   1HG   GLU  21          1HG       GLU  21   9.123  11.104   2.328
  152   2HG   GLU  21          2HG       GLU  21   8.829  12.833   2.239
  153    H    PHE  22           H        PHE  22   7.274  10.897   0.316
  154    HA   PHE  22           HA       PHE  22   7.805   8.187   1.186
  155   1HB   PHE  22          1HB       PHE  22   5.613   9.807   1.357
  156   2HB   PHE  22          2HB       PHE  22   5.057   8.795   0.051
  157    HD1  PHE  22           HD1      PHE  22   7.227   7.753   2.995
  158    HD2  PHE  22           HD2      PHE  22   3.371   7.450   1.104
  159    HE1  PHE  22           HE1      PHE  22   6.557   6.026   4.613
  160    HE2  PHE  22           HE2      PHE  22   2.722   5.721   2.731
  161    HZ   PHE  22           HZ       PHE  22   4.299   5.025   4.501
  162    H    LYS  23           H        LYS  23   6.245   9.286  -1.841
  163    HA   LYS  23           HA       LYS  23   5.904   6.835  -3.234
  164   1HB   LYS  23          1HB       LYS  23   5.047   9.005  -4.090
  165   2HB   LYS  23          2HB       LYS  23   6.666   9.553  -4.468
  166   1HG   LYS  23          1HG       LYS  23   5.498   8.843  -6.503
  167   2HG   LYS  23          2HG       LYS  23   6.900   7.826  -6.235
  168   1HD   LYS  23          1HD       LYS  23   5.425   5.973  -5.360
  169   2HD   LYS  23          2HD       LYS  23   4.024   7.022  -5.499
  170   1HE   LYS  23          1HE       LYS  23   5.602   5.697  -7.746
  171   2HE   LYS  23          2HE       LYS  23   3.861   5.681  -7.461
  172   1HZ   LYS  23          1HZ       LYS  23   5.513   7.796  -8.678
  173   2HZ   LYS  23          2HZ       LYS  23   4.068   7.175  -9.183
  174   3HZ   LYS  23          3HZ       LYS  23   4.113   8.240  -7.921
  175    H    ALA  24           H        ALA  24   8.836   8.726  -2.761
  176    HA   ALA  24           HA       ALA  24  10.714   7.750  -4.624
  177   1HB   ALA  24          1HB       ALA  24  12.488   8.123  -2.923
  178   2HB   ALA  24          2HB       ALA  24  11.297   9.437  -2.908
  179   3HB   ALA  24          3HB       ALA  24  11.272   8.200  -1.625
  180    H    ALA  25           H        ALA  25  10.213   6.274  -1.397
  181    HA   ALA  25           HA       ALA  25  11.859   3.924  -1.763
  182   1HB   ALA  25          1HB       ALA  25  10.704   2.996   0.236
  183   2HB   ALA  25          2HB       ALA  25  11.135   4.700   0.476
  184   3HB   ALA  25          3HB       ALA  25   9.445   4.250   0.130
  185    H    PHE  26           H        PHE  26   8.485   4.562  -2.544
  186    HA   PHE  26           HA       PHE  26   7.481   1.876  -2.945
  187   1HB   PHE  26          1HB       PHE  26   6.568   4.391  -4.464
  188   2HB   PHE  26          2HB       PHE  26   6.093   4.019  -2.828
  189    HD1  PHE  26           HD1      PHE  26   5.672   0.955  -3.133
  190    HD2  PHE  26           HD2      PHE  26   4.487   4.248  -5.635
  191    HE1  PHE  26           HE1      PHE  26   3.798  -0.376  -4.017
  192    HE2  PHE  26           HE2      PHE  26   2.622   2.900  -6.511
  193    HZ   PHE  26           HZ       PHE  26   2.242   0.611  -5.664
  194    H    ASP  27           H        ASP  27   9.092   4.147  -5.156
  195    HA   ASP  27           HA       ASP  27   8.853   2.551  -7.608
  196   1HB   ASP  27          1HB       ASP  27   9.517   5.140  -7.243
  197   2HB   ASP  27          2HB       ASP  27  11.148   4.512  -7.301
  198    H    MET  28           H        MET  28  11.255   2.757  -5.034
  199    HA   MET  28           HA       MET  28  13.523   1.412  -6.147
  200   1HB   MET  28          1HB       MET  28  12.540   1.819  -3.362
  201   2HB   MET  28          2HB       MET  28  13.493   0.358  -3.548
  202   1HG   MET  28          1HG       MET  28  14.624   2.935  -4.734
  203   2HG   MET  28          2HG       MET  28  14.650   2.720  -2.976
  204   1HE   MET  28          1HE       MET  28  16.044   0.854  -1.658
  205   2HE   MET  28          2HE       MET  28  14.986  -0.355  -2.443
  206   3HE   MET  28          3HE       MET  28  16.760  -0.577  -2.466
  207    H    PHE  29           H        PHE  29  10.465   0.103  -4.990
  208    HA   PHE  29           HA       PHE  29  11.261  -2.791  -5.191
  209   1HB   PHE  29          1HB       PHE  29   8.466  -1.535  -4.812
  210   2HB   PHE  29          2HB       PHE  29   8.787  -3.247  -4.835
  211    HD1  PHE  29           HD1      PHE  29  10.723  -4.078  -3.091
  212    HD2  PHE  29           HD2      PHE  29   8.396  -0.483  -2.655
  213    HE1  PHE  29           HE1      PHE  29  11.180  -4.061  -0.673
  214    HE2  PHE  29           HE2      PHE  29   8.853  -0.495  -0.237
  215    HZ   PHE  29           HZ       PHE  29  10.249  -2.273   0.756
  216    H    ASP  30           H        ASP  30   9.202  -0.496  -6.984
  217    HA   ASP  30           HA       ASP  30   9.318  -2.321  -9.449
  218   1HB   ASP  30          1HB       ASP  30   7.116  -0.757  -9.988
  219   2HB   ASP  30          2HB       ASP  30   6.997  -0.831  -8.245
  220    H    ALA  31           H        ALA  31  11.331  -1.262  -9.895
  221    HA   ALA  31           HA       ALA  31  11.796   1.564 -10.307
  222   1HB   ALA  31          1HB       ALA  31  13.734   0.864 -11.718
  223   2HB   ALA  31          2HB       ALA  31  13.636  -0.083 -10.221
  224   3HB   ALA  31          3HB       ALA  31  13.131  -0.810 -11.769
  225    H    ASP  32           H        ASP  32  10.710  -0.954 -12.585
  226    HA   ASP  32           HA       ASP  32   9.742   1.194 -14.545
  227   1HB   ASP  32          1HB       ASP  32  10.038  -0.651 -16.360
  228   2HB   ASP  32          2HB       ASP  32  11.022  -1.509 -15.197
  229    H    GLY  33           H        GLY  33   7.704   1.291 -13.720
  230   1HA   GLY  33          1HA       GLY  33   5.793  -0.929 -14.495
  231   2HA   GLY  33          2HA       GLY  33   5.849  -0.576 -12.766
  232    H    GLY  34           H        GLY  34   5.411   1.619 -12.056
  233   1HA   GLY  34          1HA       GLY  34   3.015   2.796 -13.441
  234   2HA   GLY  34          2HA       GLY  34   4.420   3.867 -13.482
  235    H    GLY  35           H        GLY  35   2.494   1.903 -11.221
  236   1HA   GLY  35          1HA       GLY  35   3.320   3.360  -8.745
  237   2HA   GLY  35          2HA       GLY  35   1.766   3.949  -9.346
  238    H    ASP  36           H        ASP  36   3.221   0.695  -9.286
  239    HA   ASP  36           HA       ASP  36   1.186  -0.356  -7.318
  240   1HB   ASP  36          1HB       ASP  36   0.250  -2.100  -8.747
  241   2HB   ASP  36          2HB       ASP  36  -0.101  -0.517  -9.402
  242    H    ILE  37           H        ILE  37   1.756  -2.377  -6.487
  243    HA   ILE  37           HA       ILE  37   4.355  -3.728  -7.307
  244    HB   ILE  37           HB       ILE  37   5.397  -3.639  -5.135
  245   1HG1  ILE  37          1HG1      ILE  37   3.204  -1.714  -4.117
  246   2HG1  ILE  37          2HG1      ILE  37   3.226  -3.423  -3.737
  247   1HG2  ILE  37          1HG2      ILE  37   6.131  -1.251  -5.103
  248   2HG2  ILE  37          2HG2      ILE  37   5.937  -1.807  -6.771
  249   3HG2  ILE  37          3HG2      ILE  37   4.699  -0.760  -6.039
  250   1HD1  ILE  37          1HD1      ILE  37   5.410  -1.436  -2.882
  251   2HD1  ILE  37          2HD1      ILE  37   4.188  -2.219  -1.856
  252   3HD1  ILE  37          3HD1      ILE  37   5.472  -3.198  -2.603
  253    H    SER  38           H        SER  38   4.622  -5.685  -5.764
  254    HA   SER  38           HA       SER  38   2.110  -7.302  -5.752
  255   1HB   SER  38          1HB       SER  38   4.682  -8.016  -6.132
  256   2HB   SER  38          2HB       SER  38   4.619  -8.310  -4.392
  257    HG   SER  38           HG       SER  38   3.256  -9.876  -4.677
  258    H    THR  39           H        THR  39   1.285  -8.359  -3.872
  259    HA   THR  39           HA       THR  39   1.018  -6.549  -1.488
  260    HB   THR  39           HB       THR  39  -0.941  -7.767  -2.608
  261    HG1  THR  39           HG1      THR  39  -1.843  -8.186  -0.473
  262   1HG2  THR  39          1HG2      THR  39  -1.581  -9.992  -1.790
  263   2HG2  THR  39          2HG2      THR  39  -0.019 -10.124  -2.630
  264   3HG2  THR  39          3HG2      THR  39  -0.080 -10.146  -0.848
  265    H    LYS  40           H        LYS  40   2.501  -9.618  -2.360
  266    HA   LYS  40           HA       LYS  40   3.076 -10.743   0.254
  267   1HB   LYS  40          1HB       LYS  40   4.102 -11.155  -2.523
  268   2HB   LYS  40          2HB       LYS  40   3.585 -12.327  -1.331
  269   1HG   LYS  40          1HG       LYS  40   6.330 -10.945  -1.469
  270   2HG   LYS  40          2HG       LYS  40   5.847 -11.966  -0.128
  271   1HD   LYS  40          1HD       LYS  40   6.012 -13.966  -1.384
  272   2HD   LYS  40          2HD       LYS  40   5.577 -13.171  -2.888
  273   1HE   LYS  40          1HE       LYS  40   7.799 -13.452  -3.402
  274   2HE   LYS  40          2HE       LYS  40   8.005 -11.939  -2.518
  275   1HZ   LYS  40          1HZ       LYS  40   8.208 -13.629  -0.496
  276   2HZ   LYS  40          2HZ       LYS  40   8.674 -14.672  -1.690
  277   3HZ   LYS  40          3HZ       LYS  40   9.507 -13.266  -1.451
  278    H    GLU  41           H        GLU  41   4.661  -8.253  -1.666
  279    HA   GLU  41           HA       GLU  41   6.961  -7.973   0.298
  280   1HB   GLU  41          1HB       GLU  41   8.064  -6.576  -1.363
  281   2HB   GLU  41          2HB       GLU  41   6.623  -6.487  -2.355
  282   1HG   GLU  41          1HG       GLU  41   6.873  -8.709  -3.187
  283   2HG   GLU  41          2HG       GLU  41   7.810  -9.247  -1.804
  284    H    LEU  42           H        LEU  42   4.092  -6.331  -0.880
  285    HA   LEU  42           HA       LEU  42   4.248  -3.654  -0.248
  286   1HB   LEU  42          1HB       LEU  42   2.023  -5.654  -0.042
  287   2HB   LEU  42          2HB       LEU  42   2.131  -4.177  -0.976
  288    HG   LEU  42           HG       LEU  42   1.855  -2.948   1.387
  289   1HD1  LEU  42          1HD1      LEU  42  -0.639  -2.968   1.096
  290   2HD1  LEU  42          2HD1      LEU  42   0.188  -2.778  -0.457
  291   3HD1  LEU  42          3HD1      LEU  42  -0.513  -4.355  -0.016
  292   1HD2  LEU  42          1HD2      LEU  42   0.606  -5.703   2.038
  293   2HD2  LEU  42          2HD2      LEU  42   2.035  -4.989   2.827
  294   3HD2  LEU  42          3HD2      LEU  42   0.448  -4.223   3.019
  295    H    GLY  43           H        GLY  43   3.618  -6.218   2.174
  296   1HA   GLY  43          1HA       GLY  43   3.615  -4.745   4.651
  297   2HA   GLY  43          2HA       GLY  43   4.263  -6.383   4.496
  298    H    THR  44           H        THR  44   6.459  -6.462   3.330
  299    HA   THR  44           HA       THR  44   8.566  -5.531   4.846
  300    HB   THR  44           HB       THR  44   8.521  -6.129   1.869
  301    HG1  THR  44           HG1      THR  44   8.330  -7.847   3.163
  302   1HG2  THR  44          1HG2      THR  44  11.021  -6.210   1.857
  303   2HG2  THR  44          2HG2      THR  44  10.434  -4.549   2.087
  304   3HG2  THR  44          3HG2      THR  44  11.066  -5.469   3.477
  305    H    VAL  45           H        VAL  45   6.852  -3.704   2.390
  306    HA   VAL  45           HA       VAL  45   8.555  -1.395   2.037
  307    HB   VAL  45           HB       VAL  45   5.514  -1.154   2.098
  308   1HG1  VAL  45          1HG1      VAL  45   7.129  -2.142  -0.337
  309   2HG1  VAL  45          2HG1      VAL  45   6.218  -3.222   0.725
  310   3HG1  VAL  45          3HG1      VAL  45   5.360  -1.969  -0.200
  311   1HG2  VAL  45          1HG2      VAL  45   5.781   0.587   0.410
  312   2HG2  VAL  45          2HG2      VAL  45   6.925   0.976   1.715
  313   3HG2  VAL  45          3HG2      VAL  45   7.520   0.244   0.218
  314    H    MET  46           H        MET  46   5.683  -1.588   4.181
  315    HA   MET  46           HA       MET  46   6.673   0.726   5.852
  316   1HB   MET  46          1HB       MET  46   4.318   0.077   7.062
  317   2HB   MET  46          2HB       MET  46   4.024  -0.704   5.518
  318   1HG   MET  46          1HG       MET  46   4.629   1.587   4.387
  319   2HG   MET  46          2HG       MET  46   3.087   1.473   5.249
  320   1HE   MET  46          1HE       MET  46   3.139   1.651   7.955
  321   2HE   MET  46          2HE       MET  46   4.821   1.595   8.560
  322   3HE   MET  46          3HE       MET  46   3.860   3.092   8.740
  323    NH1  ARG  47           NH1      ARG  47  11.360  -8.434   7.815
  324    NH2  ARG  47           NH2      ARG  47  12.027  -7.984   9.939
  325    H    ARG  47           H        ARG  47   7.938  -2.035   5.912
  326    HA   ARG  47           HA       ARG  47   7.587  -2.703   8.898
  327   1HB   ARG  47          1HB       ARG  47   6.885  -4.511   7.208
  328   2HB   ARG  47          2HB       ARG  47   8.560  -4.591   6.682
  329   1HG   ARG  47          1HG       ARG  47   8.762  -4.852   9.507
  330   2HG   ARG  47          2HG       ARG  47   7.315  -5.776   9.097
  331   1HD   ARG  47          1HD       ARG  47   9.331  -6.429   7.095
  332   2HD   ARG  47          2HD       ARG  47   8.577  -7.498   8.276
  333    HE   ARG  47           HE       ARG  47  10.733  -5.853   9.510
  334   1HH1  ARG  47          1HH1      ARG  47  12.679  -8.766   9.815
  335   2HH1  ARG  47          2HH1      ARG  47  11.909  -7.410  10.781
  336   1HH2  ARG  47          1HH2      ARG  47  10.683  -8.256   7.065
  337   2HH2  ARG  47          2HH2      ARG  47  12.116  -9.128   7.808
  338    H    MET  48           H        MET  48   9.807  -2.169   6.205
  339    HA   MET  48           HA       MET  48  12.274  -2.679   7.867
  340   1HB   MET  48          1HB       MET  48  12.391  -1.547   5.031
  341   2HB   MET  48          2HB       MET  48  11.878  -3.209   5.264
  342   1HG   MET  48          1HG       MET  48  14.116  -3.522   6.649
  343   2HG   MET  48          2HG       MET  48  14.611  -1.986   5.920
  344   1HE   MET  48          1HE       MET  48  16.793  -3.388   4.328
  345   2HE   MET  48          2HE       MET  48  16.218  -4.412   5.677
  346   3HE   MET  48          3HE       MET  48  16.363  -5.102   4.034
  347    H    LEU  49           H        LEU  49  10.261  -0.064   6.943
  348    HA   LEU  49           HA       LEU  49  12.079   1.926   8.390
  349   1HB   LEU  49          1HB       LEU  49  12.540   2.837   6.363
  350   2HB   LEU  49          2HB       LEU  49  10.960   3.586   6.550
  351    HG   LEU  49           HG       LEU  49  11.077   0.886   5.146
  352   1HD1  LEU  49          1HD1      LEU  49  11.815   3.508   3.699
  353   2HD1  LEU  49          2HD1      LEU  49  12.984   2.253   4.147
  354   3HD1  LEU  49          3HD1      LEU  49  11.694   1.884   2.976
  355   1HD2  LEU  49          1HD2      LEU  49   9.159   1.757   3.875
  356   2HD2  LEU  49          2HD2      LEU  49   8.862   2.120   5.593
  357   3HD2  LEU  49          3HD2      LEU  49   9.411   3.404   4.507
  358    H    GLY  50           H        GLY  50   9.713   0.328   9.162
  359   1HA   GLY  50          1HA       GLY  50   7.116   1.010   9.209
  360   2HA   GLY  50          2HA       GLY  50   7.718   2.569   9.784
  361    H    GLN  51           H        GLN  51   8.499  -0.830  10.551
  362    HA   GLN  51           HA       GLN  51   8.330  -0.294  13.550
  363   1HB   GLN  51          1HB       GLN  51   6.684  -2.584  12.351
  364   2HB   GLN  51          2HB       GLN  51   6.699  -1.991  14.003
  365   1HG   GLN  51          1HG       GLN  51   5.906   0.306  12.584
  366   2HG   GLN  51          2HG       GLN  51   5.172  -0.972  11.637
  367   1HE2  GLN  51          1HE2      GLN  51   2.627  -0.152  14.224
  368   2HE2  GLN  51          2HE2      GLN  51   3.482   0.719  12.854
  369    H    ASN  52           H        ASN  52   8.257  -3.108  14.142
  370    HA   ASN  52           HA       ASN  52  10.626  -4.394  12.843
  371   1HB   ASN  52          1HB       ASN  52  11.498  -2.578  14.501
  372   2HB   ASN  52          2HB       ASN  52  10.992  -3.643  15.795
  373   1HD2  ASN  52          1HD2      ASN  52  14.333  -4.981  15.495
  374   2HD2  ASN  52          2HD2      ASN  52  13.171  -3.937  16.457
  375    HA   PRO  53           HA       PRO  53   7.683  -7.004  15.705
  376   1HB   PRO  53          1HB       PRO  53   5.695  -5.842  15.103
  377   2HB   PRO  53          2HB       PRO  53   5.389  -7.424  14.358
  378   1HG   PRO  53          1HG       PRO  53   5.989  -6.755  12.180
  379   2HG   PRO  53          2HG       PRO  53   5.317  -5.212  12.764
  380   1HD   PRO  53          1HD       PRO  53   7.983  -5.632  11.852
  381   2HD   PRO  53          2HD       PRO  53   7.452  -4.246  12.852
  382    H    THR  54           H        THR  54   6.159  -9.125  14.737
  383    HA   THR  54           HA       THR  54   8.276 -11.084  14.054
  384    HB   THR  54           HB       THR  54   5.465 -11.242  14.983
  385    HG1  THR  54           HG1      THR  54   7.351 -11.634  16.191
  386   1HG2  THR  54          1HG2      THR  54   5.074 -13.594  14.325
  387   2HG2  THR  54          2HG2      THR  54   5.161 -12.571  12.872
  388   3HG2  THR  54          3HG2      THR  54   6.543 -13.603  13.319
  389    H    LYS  55           H        LYS  55   8.307 -12.481  12.256
  390    HA   LYS  55           HA       LYS  55   7.869 -11.126   9.633
  391   1HB   LYS  55          1HB       LYS  55   9.835 -12.434   9.663
  392   2HB   LYS  55          2HB       LYS  55   9.089 -13.783  10.494
  393   1HG   LYS  55          1HG       LYS  55   7.694 -14.146   8.295
  394   2HG   LYS  55          2HG       LYS  55   8.786 -13.002   7.540
  395   1HD   LYS  55          1HD       LYS  55  10.666 -14.482   7.669
  396   2HD   LYS  55          2HD       LYS  55   9.992 -15.364   9.030
  397   1HE   LYS  55          1HE       LYS  55   8.442 -15.559   6.431
  398   2HE   LYS  55          2HE       LYS  55   9.997 -16.390   6.491
  399   1HZ   LYS  55          1HZ       LYS  55   8.736 -18.006   7.408
  400   2HZ   LYS  55          2HZ       LYS  55   8.896 -17.166   8.822
  401   3HZ   LYS  55          3HZ       LYS  55   7.532 -16.991   7.906
  402    H    GLU  56           H        GLU  56   6.403 -13.741  11.505
  403    HA   GLU  56           HA       GLU  56   4.436 -14.709   9.556
  404   1HB   GLU  56          1HB       GLU  56   5.189 -15.583  12.017
  405   2HB   GLU  56          2HB       GLU  56   3.720 -14.750  12.487
  406   1HG   GLU  56          1HG       GLU  56   4.034 -17.200  10.686
  407   2HG   GLU  56          2HG       GLU  56   2.623 -16.178  10.464
  408    H    GLU  57           H        GLU  57   4.530 -12.016  11.821
  409    HA   GLU  57           HA       GLU  57   1.717 -11.217  11.822
  410   1HB   GLU  57          1HB       GLU  57   2.449  -8.996  12.597
  411   2HB   GLU  57          2HB       GLU  57   4.110  -9.334  12.153
  412   1HG   GLU  57          1HG       GLU  57   3.879 -11.390  13.871
  413   2HG   GLU  57          2HG       GLU  57   4.223  -9.765  14.438
  414    H    LEU  58           H        LEU  58   4.412 -10.595   9.632
  415    HA   LEU  58           HA       LEU  58   3.206  -8.509   7.932
  416   1HB   LEU  58          1HB       LEU  58   5.657  -9.012   7.951
  417   2HB   LEU  58          2HB       LEU  58   5.364 -10.592   7.257
  418    HG   LEU  58           HG       LEU  58   4.358  -8.179   5.696
  419   1HD1  LEU  58          1HD1      LEU  58   5.734 -10.759   4.717
  420   2HD1  LEU  58          2HD1      LEU  58   3.983 -10.604   4.921
  421   3HD1  LEU  58          3HD1      LEU  58   4.829  -9.578   3.737
  422   1HD2  LEU  58          1HD2      LEU  58   6.563  -7.739   4.672
  423   2HD2  LEU  58          2HD2      LEU  58   6.722  -7.554   6.437
  424   3HD2  LEU  58          3HD2      LEU  58   7.328  -9.021   5.646
  425    H    ASP  59           H        ASP  59   3.203 -12.047   7.936
  426    HA   ASP  59           HA       ASP  59   1.767 -12.487   5.404
  427   1HB   ASP  59          1HB       ASP  59   2.027 -14.341   7.840
  428   2HB   ASP  59          2HB       ASP  59   1.242 -14.796   6.346
  429    H    ALA  60           H        ALA  60   0.803 -11.859   8.730
  430    HA   ALA  60           HA       ALA  60  -2.013 -12.623   8.592
  431   1HB   ALA  60          1HB       ALA  60  -2.280 -11.305  10.688
  432   2HB   ALA  60          2HB       ALA  60  -0.834 -12.331  10.749
  433   3HB   ALA  60          3HB       ALA  60  -0.670 -10.578  10.474
  434    H    ILE  61           H        ILE  61  -0.371  -9.474   8.175
  435    HA   ILE  61           HA       ILE  61  -2.534  -7.708   7.759
  436    HB   ILE  61           HB       ILE  61   0.315  -7.679   6.884
  437   1HG1  ILE  61          1HG1      ILE  61  -1.585  -5.721   8.304
  438   2HG1  ILE  61          2HG1      ILE  61  -0.054  -5.158   7.668
  439   1HG2  ILE  61          1HG2      ILE  61   0.073  -5.719   5.338
  440   2HG2  ILE  61          2HG2      ILE  61  -0.743  -7.135   4.679
  441   3HG2  ILE  61          3HG2      ILE  61  -1.701  -5.840   5.432
  442   1HD1  ILE  61          1HD1      ILE  61   1.251  -6.690   9.115
  443   2HD1  ILE  61          2HD1      ILE  61   0.122  -5.718  10.083
  444   3HD1  ILE  61          3HD1      ILE  61  -0.254  -7.421   9.736
  445    H    ILE  62           H        ILE  62  -1.048 -10.072   5.596
  446    HA   ILE  62           HA       ILE  62  -2.499  -9.277   3.110
  447    HB   ILE  62           HB       ILE  62  -0.679 -11.605   3.823
  448   1HG1  ILE  62          1HG1      ILE  62  -0.284  -9.919   1.331
  449   2HG1  ILE  62          2HG1      ILE  62   0.906 -10.637   2.396
  450   1HG2  ILE  62          1HG2      ILE  62  -0.981 -12.585   1.534
  451   2HG2  ILE  62          2HG2      ILE  62  -2.498 -12.640   2.430
  452   3HG2  ILE  62          3HG2      ILE  62  -2.263 -11.402   1.175
  453   1HD1  ILE  62          1HD1      ILE  62   0.621  -8.867   4.107
  454   2HD1  ILE  62          2HD1      ILE  62   0.959  -8.153   2.517
  455   3HD1  ILE  62          3HD1      ILE  62  -0.700  -8.129   3.159
  456    H    GLU  63           H        GLU  63  -2.858 -11.666   5.694
  457    HA   GLU  63           HA       GLU  63  -5.194 -13.130   4.790
  458   1HB   GLU  63          1HB       GLU  63  -3.743 -13.559   6.888
  459   2HB   GLU  63          2HB       GLU  63  -4.723 -12.361   7.711
  460   1HG   GLU  63          1HG       GLU  63  -6.809 -13.787   7.144
  461   2HG   GLU  63          2HG       GLU  63  -5.683 -14.471   8.304
  462    H    GLU  64           H        GLU  64  -4.810  -9.896   6.101
  463    HA   GLU  64           HA       GLU  64  -7.840  -9.437   6.087
  464   1HB   GLU  64          1HB       GLU  64  -5.819  -7.768   7.658
  465   2HB   GLU  64          2HB       GLU  64  -6.518  -9.238   8.307
  466   1HG   GLU  64          1HG       GLU  64  -8.758  -7.656   7.382
  467   2HG   GLU  64          2HG       GLU  64  -8.327  -8.069   9.033
  468    H    VAL  65           H        VAL  65  -6.146  -9.372   3.769
  469    HA   VAL  65           HA       VAL  65  -6.772  -6.530   2.845
  470    HB   VAL  65           HB       VAL  65  -4.087  -7.742   2.887
  471   1HG1  VAL  65          1HG1      VAL  65  -3.329  -6.996   0.623
  472   2HG1  VAL  65          2HG1      VAL  65  -4.543  -8.282   0.489
  473   3HG1  VAL  65          3HG1      VAL  65  -5.002  -6.593   0.164
  474   1HG2  VAL  65          1HG2      VAL  65  -5.026  -4.859   2.255
  475   2HG2  VAL  65          2HG2      VAL  65  -4.533  -5.480   3.849
  476   3HG2  VAL  65          3HG2      VAL  65  -3.344  -5.367   2.544
  477    H    ASP  66           H        ASP  66  -5.492  -9.604   1.494
  478    HA   ASP  66           HA       ASP  66  -7.538  -9.526  -0.737
  479   1HB   ASP  66          1HB       ASP  66  -5.078 -11.319  -0.344
  480   2HB   ASP  66          2HB       ASP  66  -5.220  -9.946  -1.416
  481    H    GLU  67           H        GLU  67  -8.664  -9.864   1.699
  482    HA   GLU  67           HA       GLU  67  -9.285 -12.454   2.743
  483   1HB   GLU  67          1HB       GLU  67 -10.333 -10.688   3.865
  484   2HB   GLU  67          2HB       GLU  67 -10.995  -9.975   2.407
  485   1HG   GLU  67          1HG       GLU  67 -12.918 -10.870   3.437
  486   2HG   GLU  67          2HG       GLU  67 -12.535 -12.117   2.262
  487    H    ASP  68           H        ASP  68 -10.745 -10.831  -0.084
  488    HA   ASP  68           HA       ASP  68 -11.939 -13.461  -1.049
  489   1HB   ASP  68          1HB       ASP  68 -12.595 -10.554  -1.706
  490   2HB   ASP  68          2HB       ASP  68 -13.044 -11.825  -2.819
  491    H    GLY  69           H        GLY  69 -10.911 -10.708  -3.028
  492   1HA   GLY  69          1HA       GLY  69  -8.573 -12.187  -4.252
  493   2HA   GLY  69          2HA       GLY  69  -9.952 -11.991  -5.339
  494    H    SER  70           H        SER  70  -7.266 -10.854  -5.464
  495    HA   SER  70           HA       SER  70  -7.924  -7.988  -6.106
  496   1HB   SER  70          1HB       SER  70  -6.279  -8.696  -3.645
  497   2HB   SER  70          2HB       SER  70  -5.916  -7.224  -4.549
  498    HG   SER  70           HG       SER  70  -7.536  -7.166  -2.803
  499    H    GLY  71           H        GLY  71  -4.900  -9.638  -5.145
  500   1HA   GLY  71          1HA       GLY  71  -3.215 -10.665  -6.717
  501   2HA   GLY  71          2HA       GLY  71  -3.943  -9.746  -8.038
  502    H    THR  72           H        THR  72  -3.696  -7.420  -8.038
  503    HA   THR  72           HA       THR  72  -0.967  -6.577  -6.997
  504    HB   THR  72           HB       THR  72  -1.375  -6.585  -9.500
  505    HG1  THR  72           HG1      THR  72   0.290  -5.475  -9.263
  506   1HG2  THR  72          1HG2      THR  72  -3.363  -5.489 -10.118
  507   2HG2  THR  72          2HG2      THR  72  -3.210  -4.227  -8.875
  508   3HG2  THR  72          3HG2      THR  72  -2.181  -4.179 -10.331
  509    H    ILE  73           H        ILE  73  -0.731  -4.330  -6.312
  510    HA   ILE  73           HA       ILE  73  -3.246  -3.014  -5.256
  511    HB   ILE  73           HB       ILE  73  -1.858  -4.528  -3.535
  512   1HG1  ILE  73          1HG1      ILE  73  -3.864  -3.789  -2.688
  513   2HG1  ILE  73          2HG1      ILE  73  -3.630  -2.136  -3.228
  514   1HG2  ILE  73          1HG2      ILE  73  -0.362  -3.274  -2.027
  515   2HG2  ILE  73          2HG2      ILE  73   0.302  -3.220  -3.665
  516   3HG2  ILE  73          3HG2      ILE  73  -0.529  -1.794  -2.999
  517   1HD1  ILE  73          1HD1      ILE  73  -2.244  -3.313  -0.735
  518   2HD1  ILE  73          2HD1      ILE  73  -2.104  -1.642  -1.322
  519   3HD1  ILE  73          3HD1      ILE  73  -3.674  -2.244  -0.740
  520    H    ASP  74           H        ASP  74  -2.753  -0.755  -4.454
  521    HA   ASP  74           HA       ASP  74  -0.787   0.614  -6.371
  522   1HB   ASP  74          1HB       ASP  74  -2.946   2.397  -5.913
  523   2HB   ASP  74          2HB       ASP  74  -3.623   0.817  -6.406
  524    H    PHE  75           H        PHE  75  -0.818   3.105  -5.616
  525    HA   PHE  75           HA       PHE  75   0.617   3.035  -2.985
  526   1HB   PHE  75          1HB       PHE  75   0.250   5.302  -5.030
  527   2HB   PHE  75          2HB       PHE  75   1.612   4.218  -4.935
  528    HD1  PHE  75           HD1      PHE  75   1.604   4.333  -1.677
  529    HD2  PHE  75           HD2      PHE  75   1.659   7.309  -4.785
  530    HE1  PHE  75           HE1      PHE  75   2.736   5.908  -0.163
  531    HE2  PHE  75           HE2      PHE  75   2.798   8.868  -3.255
  532    HZ   PHE  75           HZ       PHE  75   3.343   8.171  -0.950
  533    H    GLU  76           H        GLU  76  -2.366   4.297  -4.366
  534    HA   GLU  76           HA       GLU  76  -3.213   6.070  -2.198
  535   1HB   GLU  76          1HB       GLU  76  -5.595   5.597  -3.157
  536   2HB   GLU  76          2HB       GLU  76  -4.791   4.640  -4.384
  537   1HG   GLU  76          1HG       GLU  76  -5.348   7.069  -5.028
  538   2HG   GLU  76          2HG       GLU  76  -4.148   7.613  -3.868
  539    H    GLU  77           H        GLU  77  -4.380   2.794  -3.028
  540    HA   GLU  77           HA       GLU  77  -5.760   2.159  -0.534
  541   1HB   GLU  77          1HB       GLU  77  -5.167  -0.326  -1.237
  542   2HB   GLU  77          2HB       GLU  77  -4.581   0.402  -2.719
  543   1HG   GLU  77          1HG       GLU  77  -7.459   0.487  -1.623
  544   2HG   GLU  77          2HG       GLU  77  -6.942   1.525  -2.940
  545    H    PHE  78           H        PHE  78  -2.382   2.104  -1.477
  546    HA   PHE  78           HA       PHE  78  -1.304   0.355   0.595
  547   1HB   PHE  78          1HB       PHE  78  -0.152   2.305  -1.381
  548   2HB   PHE  78          2HB       PHE  78   0.229   0.625  -1.113
  549    HD1  PHE  78           HD1      PHE  78   2.326   0.111  -0.100
  550    HD2  PHE  78           HD2      PHE  78   0.616   3.992   0.624
  551    HE1  PHE  78           HE1      PHE  78   4.297   0.743   1.234
  552    HE2  PHE  78           HE2      PHE  78   2.613   4.621   1.916
  553    HZ   PHE  78           HZ       PHE  78   4.443   2.994   2.245
  554    H    LEU  79           H        LEU  79  -1.831   3.865   0.433
  555    HA   LEU  79           HA       LEU  79  -0.781   4.490   3.156
  556   1HB   LEU  79          1HB       LEU  79  -1.988   6.726   2.783
  557   2HB   LEU  79          2HB       LEU  79  -2.536   6.124   1.233
  558    HG   LEU  79           HG       LEU  79   0.101   5.718   0.793
  559   1HD1  LEU  79          1HD1      LEU  79   0.213   7.966  -0.293
  560   2HD1  LEU  79          2HD1      LEU  79  -1.367   7.213  -0.579
  561   3HD1  LEU  79          3HD1      LEU  79  -1.211   8.513   0.629
  562   1HD2  LEU  79          1HD2      LEU  79   0.145   7.988   2.894
  563   2HD2  LEU  79          2HD2      LEU  79   0.907   6.387   3.061
  564   3HD2  LEU  79          3HD2      LEU  79   1.506   7.523   1.842
  565    H    VAL  80           H        VAL  80  -3.847   3.564   1.719
  566    HA   VAL  80           HA       VAL  80  -5.664   4.292   3.882
  567    HB   VAL  80           HB       VAL  80  -5.869   2.599   1.444
  568   1HG1  VAL  80          1HG1      VAL  80  -7.995   1.459   2.113
  569   2HG1  VAL  80          2HG1      VAL  80  -6.636   0.868   3.078
  570   3HG1  VAL  80          3HG1      VAL  80  -7.789   2.018   3.793
  571   1HG2  VAL  80          1HG2      VAL  80  -7.918   4.469   2.804
  572   2HG2  VAL  80          2HG2      VAL  80  -6.790   4.949   1.515
  573   3HG2  VAL  80          3HG2      VAL  80  -8.056   3.758   1.178
  574    H    MET  81           H        MET  81  -3.587   1.507   3.279
  575    HA   MET  81           HA       MET  81  -4.700  -0.285   5.369
  576   1HB   MET  81          1HB       MET  81  -3.183  -1.879   4.682
  577   2HB   MET  81          2HB       MET  81  -3.276  -0.901   3.229
  578   1HG   MET  81          1HG       MET  81  -1.050  -0.340   3.309
  579   2HG   MET  81          2HG       MET  81  -1.097   0.045   5.037
  580   1HE   MET  81          1HE       MET  81  -0.121  -1.914   7.025
  581   2HE   MET  81          2HE       MET  81  -1.881  -1.942   6.707
  582   3HE   MET  81          3HE       MET  81  -0.961  -3.474   6.760
  583    H    MET  82           H        MET  82  -2.127   2.115   5.159
  584    HA   MET  82           HA       MET  82  -0.722   1.482   7.664
  585   1HB   MET  82          1HB       MET  82   0.353   3.730   7.446
  586   2HB   MET  82          2HB       MET  82  -0.778   4.171   6.179
  587   1HG   MET  82          1HG       MET  82   0.169   2.112   4.826
  588   2HG   MET  82          2HG       MET  82   1.468   2.082   6.029
  589   1HE   MET  82          1HE       MET  82   1.801   6.363   5.510
  590   2HE   MET  82          2HE       MET  82   0.124   5.770   5.690
  591   3HE   MET  82          3HE       MET  82   1.386   5.230   6.835
  592    H    VAL  83           H        VAL  83  -3.043   4.067   6.810
  593    HA   VAL  83           HA       VAL  83  -3.438   5.284   9.378
  594    HB   VAL  83           HB       VAL  83  -5.611   4.948   7.246
  595   1HG1  VAL  83          1HG1      VAL  83  -3.681   7.333   7.547
  596   2HG1  VAL  83          2HG1      VAL  83  -3.426   6.022   6.387
  597   3HG1  VAL  83          3HG1      VAL  83  -4.873   7.047   6.253
  598   1HG2  VAL  83          1HG2      VAL  83  -6.714   6.917   8.176
  599   2HG2  VAL  83          2HG2      VAL  83  -6.447   5.804   9.538
  600   3HG2  VAL  83          3HG2      VAL  83  -5.391   7.208   9.335
  601    NH1  ARG  84           NH1      ARG  84 -10.074  -2.076   6.945
  602    NH2  ARG  84           NH2      ARG  84  -9.284  -2.201   4.819
  603    H    ARG  84           H        ARG  84  -4.760   2.316   8.004
  604    HA   ARG  84           HA       ARG  84  -6.817   1.593   9.909
  605   1HB   ARG  84          1HB       ARG  84  -5.058  -0.650   8.906
  606   2HB   ARG  84          2HB       ARG  84  -5.774   0.383   7.677
  607   1HG   ARG  84          1HG       ARG  84  -7.411  -1.021   9.875
  608   2HG   ARG  84          2HG       ARG  84  -8.074  -0.041   8.565
  609   1HD   ARG  84          1HD       ARG  84  -6.277  -2.392   7.806
  610   2HD   ARG  84          2HD       ARG  84  -7.907  -2.749   8.373
  611    HE   ARG  84           HE       ARG  84  -7.270  -1.100   5.885
  612   1HH1  ARG  84          1HH1      ARG  84 -10.261  -2.363   4.550
  613   2HH1  ARG  84          2HH1      ARG  84  -8.468  -2.190   4.198
  614   1HH2  ARG  84          1HH2      ARG  84  -9.857  -2.007   7.946
  615   2HH2  ARG  84          2HH2      ARG  84 -11.001  -2.204   6.524
  616    H    GLN  85           H        GLN  85  -3.464   0.323   9.880
  617    HA   GLN  85           HA       GLN  85  -3.609  -0.941  12.525
  618   1HB   GLN  85          1HB       GLN  85  -0.848  -0.446  12.017
  619   2HB   GLN  85          2HB       GLN  85  -1.569  -0.575  10.422
  620   1HG   GLN  85          1HG       GLN  85  -1.003  -2.799  10.822
  621   2HG   GLN  85          2HG       GLN  85  -2.690  -2.804  11.293
  622   1HE2  GLN  85          1HE2      GLN  85   0.230  -3.490  14.140
  623   2HE2  GLN  85          2HE2      GLN  85   0.636  -2.950  12.434
  624    H    MET  86           H        MET  86  -2.988   2.325  11.510
  625    HA   MET  86           HA       MET  86  -1.244   3.294  13.649
  626   1HB   MET  86          1HB       MET  86  -3.082   5.390  12.675
  627   2HB   MET  86          2HB       MET  86  -2.466   4.432  11.341
  628   1HG   MET  86          1HG       MET  86  -0.364   5.302  13.335
  629   2HG   MET  86          2HG       MET  86  -0.288   5.211  11.568
  630   1HE   MET  86          1HE       MET  86  -0.247   8.235  14.283
  631   2HE   MET  86          2HE       MET  86   0.906   7.233  13.353
  632   3HE   MET  86          3HE       MET  86   0.494   8.877  12.783
  633    H    LYS  87           H        LYS  87  -4.766   3.769  13.200
  634    HA   LYS  87           HA       LYS  87  -5.297   4.781  15.930
  635   1HB   LYS  87          1HB       LYS  87  -6.997   3.989  13.568
  636   2HB   LYS  87          2HB       LYS  87  -7.778   3.848  15.129
  637   1HG   LYS  87          1HG       LYS  87  -8.118   6.052  13.881
  638   2HG   LYS  87          2HG       LYS  87  -6.419   6.417  14.106
  639   1HD   LYS  87          1HD       LYS  87  -8.684   6.716  16.016
  640   2HD   LYS  87          2HD       LYS  87  -7.356   5.815  16.730
  641   1HE   LYS  87          1HE       LYS  87  -5.963   7.637  16.873
  642   2HE   LYS  87          2HE       LYS  87  -6.403   8.262  15.283
  643   1HZ   LYS  87          1HZ       LYS  87  -7.129   9.448  17.515
  644   2HZ   LYS  87          2HZ       LYS  87  -8.094   9.500  16.175
  645   3HZ   LYS  87          3HZ       LYS  87  -8.435   8.444  17.398
  646    H    GLU  88           H        GLU  88  -5.307   1.618  14.363
  647    HA   GLU  88           HA       GLU  88  -6.521   0.046  16.526
  648   1HB   GLU  88          1HB       GLU  88  -6.331  -0.742  14.158
  649   2HB   GLU  88          2HB       GLU  88  -4.596  -0.916  14.343
  650   1HG   GLU  88          1HG       GLU  88  -5.245  -3.122  14.711
  651   2HG   GLU  88          2HG       GLU  88  -5.242  -2.557  16.373
  652    H    ASP  89           H        ASP  89  -5.713  -0.657  18.366
  653    HA   ASP  89           HA       ASP  89  -2.692  -0.594  18.876
  654   1HB   ASP  89          1HB       ASP  89  -4.146   1.296  20.043
  655   2HB   ASP  89          2HB       ASP  89  -4.650   0.022  21.130
  656    H    ALA  90           H        ALA  90  -3.508  -2.807  17.919
  657    HA   ALA  90           HA       ALA  90  -3.987  -4.743  20.258
  658   1HB   ALA  90          1HB       ALA  90  -5.423  -6.088  18.956
  659   2HB   ALA  90          2HB       ALA  90  -5.846  -4.485  18.326
  660   3HB   ALA  90          3HB       ALA  90  -4.751  -5.540  17.400
   
  Start of MODEL          15
 Raw file had  660 H/Q atoms
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1 -23.737   5.089   6.218
    2   2H    ALA   1          2H        ALA   1 -22.833   6.491   6.433
    3   3H    ALA   1          3H        ALA   1 -23.960   6.400   5.188
    4    HA   ALA   1           HA       ALA   1 -21.940   4.334   5.209
    5   1HB   ALA   1          1HB       ALA   1 -23.705   5.774   3.266
    6   2HB   ALA   1          2HB       ALA   1 -22.082   5.438   2.635
    7   3HB   ALA   1          3HB       ALA   1 -23.102   4.100   3.220
    8    H    SER   2           H        SER   2 -20.257   5.251   6.386
    9    HA   SER   2           HA       SER   2 -18.868   7.724   5.220
   10   1HB   SER   2          1HB       SER   2 -18.098   8.320   7.351
   11   2HB   SER   2          2HB       SER   2 -19.730   7.730   7.675
   12    HG   SER   2           HG       SER   2 -18.736   6.524   9.031
   13    H    MET   3           H        MET   3 -18.553   4.351   6.144
   14    HA   MET   3           HA       MET   3 -15.637   4.032   5.677
   15   1HB   MET   3          1HB       MET   3 -17.843   2.303   6.490
   16   2HB   MET   3          2HB       MET   3 -16.985   1.525   5.173
   17   1HG   MET   3          1HG       MET   3 -15.018   2.603   7.098
   18   2HG   MET   3          2HG       MET   3 -15.227   0.949   6.502
   19   1HE   MET   3          1HE       MET   3 -14.713   0.864  10.106
   20   2HE   MET   3          2HE       MET   3 -14.380   2.329   9.137
   21   3HE   MET   3          3HE       MET   3 -15.556   2.400  10.481
   22    H    THR   4           H        THR   4 -18.568   3.951   3.736
   23    HA   THR   4           HA       THR   4 -17.603   2.918   1.211
   24    HB   THR   4           HB       THR   4 -19.510   5.268   1.187
   25    HG1  THR   4           HG1      THR   4 -21.043   3.375   1.599
   26   1HG2  THR   4          1HG2      THR   4 -20.754   3.939  -0.476
   27   2HG2  THR   4          2HG2      THR   4 -19.067   4.102  -1.010
   28   3HG2  THR   4          3HG2      THR   4 -19.639   2.566  -0.311
   29    H    ASP   5           H        ASP   5 -16.807   5.814   2.935
   30    HA   ASP   5           HA       ASP   5 -14.922   6.660   0.689
   31   1HB   ASP   5          1HB       ASP   5 -17.119   8.377   1.878
   32   2HB   ASP   5          2HB       ASP   5 -15.589   9.149   1.531
   33    H    GLN   6           H        GLN   6 -14.247   5.180   2.889
   34    HA   GLN   6           HA       GLN   6 -12.890   6.960   4.936
   35   1HB   GLN   6          1HB       GLN   6 -12.787   5.140   6.251
   36   2HB   GLN   6          2HB       GLN   6 -13.876   4.388   5.095
   37   1HG   GLN   6          1HG       GLN   6 -10.901   4.093   4.527
   38   2HG   GLN   6          2HG       GLN   6 -11.537   3.253   5.926
   39   1HE2  GLN   6          1HE2      GLN   6 -12.016   1.509   2.359
   40   2HE2  GLN   6          2HE2      GLN   6 -10.681   2.628   2.937
   41    H    GLN   7           H        GLN   7 -12.199   5.053   2.052
   42    HA   GLN   7           HA       GLN   7  -9.346   4.853   2.017
   43   1HB   GLN   7          1HB       GLN   7 -11.009   5.522  -0.480
   44   2HB   GLN   7          2HB       GLN   7  -9.424   4.771  -0.426
   45   1HG   GLN   7          1HG       GLN   7 -10.290   2.703   0.512
   46   2HG   GLN   7          2HG       GLN   7 -11.839   3.420   0.907
   47   1HE2  GLN   7          1HE2      GLN   7 -12.699   3.491  -2.794
   48   2HE2  GLN   7          2HE2      GLN   7 -12.712   4.629  -1.355
   49    H    ALA   8           H        ALA   8 -11.429   7.613   1.224
   50    HA   ALA   8           HA       ALA   8  -9.339   9.374   0.105
   51   1HB   ALA   8          1HB       ALA   8 -11.032  10.955  -0.195
   52   2HB   ALA   8          2HB       ALA   8 -11.979   9.455  -0.161
   53   3HB   ALA   8          3HB       ALA   8 -11.920  10.502   1.280
   54    H    GLU   9           H        GLU   9 -10.787   8.915   3.303
   55    HA   GLU   9           HA       GLU   9  -9.757  11.155   4.779
   56   1HB   GLU   9          1HB       GLU   9 -10.824   8.492   5.495
   57   2HB   GLU   9          2HB       GLU   9  -9.605   9.032   6.631
   58   1HG   GLU   9          1HG       GLU   9 -10.953  11.269   6.823
   59   2HG   GLU   9          2HG       GLU   9 -11.634   9.832   7.567
   60    H    ALA  10           H        ALA  10  -8.177   8.204   3.695
   61    HA   ALA  10           HA       ALA  10  -5.785   8.112   5.270
   62   1HB   ALA  10          1HB       ALA  10  -4.746   6.868   3.379
   63   2HB   ALA  10          2HB       ALA  10  -6.404   6.315   3.684
   64   3HB   ALA  10          3HB       ALA  10  -6.060   7.368   2.288
   65    NH1  ARG  11           NH1      ARG  11  -5.538  12.353  -4.009
   66    NH2  ARG  11           NH2      ARG  11  -4.125  14.045  -3.457
   67    H    ARG  11           H        ARG  11  -6.242   9.721   2.104
   68    HA   ARG  11           HA       ARG  11  -3.599  11.053   2.015
   69   1HB   ARG  11          1HB       ARG  11  -4.174  11.742  -0.092
   70   2HB   ARG  11          2HB       ARG  11  -5.383  10.479   0.089
   71   1HG   ARG  11          1HG       ARG  11  -7.079  12.219   0.860
   72   2HG   ARG  11          2HG       ARG  11  -5.886  13.482   0.547
   73   1HD   ARG  11          1HD       ARG  11  -7.712  12.730  -1.330
   74   2HD   ARG  11          2HD       ARG  11  -6.487  11.526  -1.720
   75    HE   ARG  11           HE       ARG  11  -5.851  14.522  -1.718
   76   1HH1  ARG  11          1HH1      ARG  11  -4.929  12.214  -4.823
   77   2HH1  ARG  11          2HH1      ARG  11  -6.401  11.843  -3.792
   78   1HH2  ARG  11          1HH2      ARG  11  -3.850  14.756  -2.770
   79   2HH2  ARG  11          2HH2      ARG  11  -3.676  13.856  -4.360
   80    H    ALA  12           H        ALA  12  -6.825  11.936   3.123
   81    HA   ALA  12           HA       ALA  12  -6.452  14.799   3.618
   82   1HB   ALA  12          1HB       ALA  12  -8.407  14.626   5.140
   83   2HB   ALA  12          2HB       ALA  12  -8.699  13.754   3.623
   84   3HB   ALA  12          3HB       ALA  12  -8.319  12.848   5.109
   85    H    PHE  13           H        PHE  13  -5.424  11.930   5.345
   86    HA   PHE  13           HA       PHE  13  -4.680  13.509   7.844
   87   1HB   PHE  13          1HB       PHE  13  -6.108  11.354   7.964
   88   2HB   PHE  13          2HB       PHE  13  -4.684  10.451   7.519
   89    HD1  PHE  13           HD1      PHE  13  -3.450  13.182   9.430
   90    HD2  PHE  13           HD2      PHE  13  -5.565   9.464   9.914
   91    HE1  PHE  13           HE1      PHE  13  -2.838  13.130  11.814
   92    HE2  PHE  13           HE2      PHE  13  -4.952   9.437  12.296
   93    HZ   PHE  13           HZ       PHE  13  -3.590  11.265  13.251
   94    H    LEU  14           H        LEU  14  -3.254  13.750   5.349
   95    HA   LEU  14           HA       LEU  14  -0.447  13.301   6.336
   96   1HB   LEU  14          1HB       LEU  14  -1.402  11.936   3.750
   97   2HB   LEU  14          2HB       LEU  14   0.281  12.165   4.172
   98    HG   LEU  14           HG       LEU  14  -1.729  10.501   5.816
   99   1HD1  LEU  14          1HD1      LEU  14   1.329  10.688   6.182
  100   2HD1  LEU  14          2HD1      LEU  14   0.150  11.533   7.201
  101   3HD1  LEU  14          3HD1      LEU  14   0.186   9.752   7.179
  102   1HD2  LEU  14          1HD2      LEU  14  -0.615   8.492   4.938
  103   2HD2  LEU  14          2HD2      LEU  14  -1.085   9.490   3.540
  104   3HD2  LEU  14          3HD2      LEU  14   0.602   9.468   4.076
  105    H    SER  15           H        SER  15   0.710  14.993   5.791
  106    HA   SER  15           HA       SER  15  -0.366  17.300   4.332
  107   1HB   SER  15          1HB       SER  15   2.059  18.187   4.578
  108   2HB   SER  15          2HB       SER  15   1.140  17.856   6.049
  109    HG   SER  15           HG       SER  15   2.676  15.796   4.930
  110    H    GLU  16           H        GLU  16   0.882  18.354   2.532
  111    HA   GLU  16           HA       GLU  16   0.922  16.605   0.150
  112   1HB   GLU  16          1HB       GLU  16   1.289  19.559   0.633
  113   2HB   GLU  16          2HB       GLU  16   1.961  18.911  -0.850
  114   1HG   GLU  16          1HG       GLU  16  -0.950  18.268  -0.138
  115   2HG   GLU  16          2HG       GLU  16  -0.187  18.284  -1.719
  116    H    GLU  17           H        GLU  17   3.332  18.066   2.243
  117    HA   GLU  17           HA       GLU  17   5.687  17.513   0.482
  118   1HB   GLU  17          1HB       GLU  17   6.976  18.053   2.746
  119   2HB   GLU  17          2HB       GLU  17   6.289  19.304   1.729
  120   1HG   GLU  17          1HG       GLU  17   5.918  19.263   4.407
  121   2HG   GLU  17          2HG       GLU  17   4.580  18.197   4.010
  122    H    MET  18           H        MET  18   4.052  15.993   3.205
  123    HA   MET  18           HA       MET  18   6.081  13.993   3.917
  124   1HB   MET  18          1HB       MET  18   3.046  13.790   4.372
  125   2HB   MET  18          2HB       MET  18   4.147  14.687   5.401
  126   1HG   MET  18          1HG       MET  18   4.872  11.776   4.944
  127   2HG   MET  18          2HG       MET  18   3.413  12.097   5.894
  128   1HE   MET  18          1HE       MET  18   7.042  11.203   6.676
  129   2HE   MET  18          2HE       MET  18   7.153  12.469   5.418
  130   3HE   MET  18          3HE       MET  18   7.799  12.782   7.055
  131    H    ILE  19           H        ILE  19   3.397  14.082   1.627
  132    HA   ILE  19           HA       ILE  19   3.243  11.283   0.817
  133    HB   ILE  19           HB       ILE  19   2.599  13.831  -0.737
  134   1HG1  ILE  19          1HG1      ILE  19   0.828  11.707   0.640
  135   2HG1  ILE  19          2HG1      ILE  19   1.000  13.389   1.092
  136   1HG2  ILE  19          1HG2      ILE  19   1.536  12.422  -2.515
  137   2HG2  ILE  19          2HG2      ILE  19   3.262  12.082  -2.417
  138   3HG2  ILE  19          3HG2      ILE  19   2.100  10.938  -1.709
  139   1HD1  ILE  19          1HD1      ILE  19  -0.379  12.428  -1.482
  140   2HD1  ILE  19          2HD1      ILE  19  -1.137  13.129  -0.037
  141   3HD1  ILE  19          3HD1      ILE  19  -0.088  14.138  -1.061
  142    H    ALA  20           H        ALA  20   5.260  13.999  -0.288
  143    HA   ALA  20           HA       ALA  20   6.607  12.981  -2.543
  144   1HB   ALA  20          1HB       ALA  20   8.305  14.450  -0.499
  145   2HB   ALA  20          2HB       ALA  20   8.188  14.680  -2.254
  146   3HB   ALA  20          3HB       ALA  20   6.891  15.281  -1.190
  147    H    GLU  21           H        GLU  21   7.281  12.273   0.869
  148    HA   GLU  21           HA       GLU  21   9.772  10.733   0.416
  149   1HB   GLU  21          1HB       GLU  21   8.892  11.976   2.596
  150   2HB   GLU  21          2HB       GLU  21   8.127  10.441   2.955
  151   1HG   GLU  21          1HG       GLU  21  10.372   9.284   2.887
  152   2HG   GLU  21          2HG       GLU  21  11.153  10.795   2.452
  153    H    PHE  22           H        PHE  22   6.369   9.922   1.038
  154    HA   PHE  22           HA       PHE  22   6.500   7.082   1.361
  155   1HB   PHE  22          1HB       PHE  22   4.111   7.048   0.346
  156   2HB   PHE  22          2HB       PHE  22   4.271   8.763   0.074
  157    HD1  PHE  22           HD1      PHE  22   5.122  10.133   2.343
  158    HD2  PHE  22           HD2      PHE  22   3.105   6.331   2.360
  159    HE1  PHE  22           HE1      PHE  22   4.396  10.517   4.661
  160    HE2  PHE  22           HE2      PHE  22   2.344   6.758   4.661
  161    HZ   PHE  22           HZ       PHE  22   2.983   8.849   5.814
  162    H    LYS  23           H        LYS  23   5.712   8.800  -1.680
  163    HA   LYS  23           HA       LYS  23   5.794   6.632  -3.542
  164   1HB   LYS  23          1HB       LYS  23   5.176   8.331  -4.876
  165   2HB   LYS  23          2HB       LYS  23   6.873   8.710  -5.080
  166   1HG   LYS  23          1HG       LYS  23   4.997   9.972  -2.991
  167   2HG   LYS  23          2HG       LYS  23   6.705  10.343  -3.125
  168   1HD   LYS  23          1HD       LYS  23   6.408  11.412  -5.319
  169   2HD   LYS  23          2HD       LYS  23   5.237  12.066  -4.186
  170   1HE   LYS  23          1HE       LYS  23   4.679  10.083  -6.460
  171   2HE   LYS  23          2HE       LYS  23   3.508  10.338  -5.164
  172   1HZ   LYS  23          1HZ       LYS  23   3.501  11.781  -7.354
  173   2HZ   LYS  23          2HZ       LYS  23   3.056  12.446  -5.909
  174   3HZ   LYS  23          3HZ       LYS  23   4.566  12.726  -6.517
  175    H    ALA  24           H        ALA  24   8.422   8.518  -2.131
  176    HA   ALA  24           HA       ALA  24  10.650   7.866  -3.822
  177   1HB   ALA  24          1HB       ALA  24  12.106   8.383  -1.872
  178   2HB   ALA  24          2HB       ALA  24  10.793   9.566  -2.024
  179   3HB   ALA  24          3HB       ALA  24  10.711   8.304  -0.769
  180    H    ALA  25           H        ALA  25   9.397   6.120  -0.970
  181    HA   ALA  25           HA       ALA  25  11.423   3.949  -1.047
  182   1HB   ALA  25          1HB       ALA  25  10.099   2.943   0.804
  183   2HB   ALA  25          2HB       ALA  25  10.404   4.666   1.096
  184   3HB   ALA  25          3HB       ALA  25   8.793   4.127   0.557
  185    H    PHE  26           H        PHE  26   8.168   4.436  -2.274
  186    HA   PHE  26           HA       PHE  26   7.354   1.728  -2.886
  187   1HB   PHE  26          1HB       PHE  26   5.965   3.929  -3.013
  188   2HB   PHE  26          2HB       PHE  26   6.615   4.157  -4.615
  189    HD1  PHE  26           HD1      PHE  26   6.548   1.432  -5.834
  190    HD2  PHE  26           HD2      PHE  26   3.708   3.275  -3.179
  191    HE1  PHE  26           HE1      PHE  26   4.746   0.046  -6.781
  192    HE2  PHE  26           HE2      PHE  26   1.922   1.871  -4.130
  193    HZ   PHE  26           HZ       PHE  26   2.443   0.234  -5.905
  194    H    ASP  27           H        ASP  27   9.441   4.008  -4.574
  195    HA   ASP  27           HA       ASP  27   9.586   2.637  -7.176
  196   1HB   ASP  27          1HB       ASP  27  10.274   5.140  -6.476
  197   2HB   ASP  27          2HB       ASP  27  11.856   4.428  -6.249
  198    H    MET  28           H        MET  28  11.211   2.225  -4.121
  199    HA   MET  28           HA       MET  28  13.620   0.803  -4.876
  200   1HB   MET  28          1HB       MET  28  13.310  -0.461  -2.597
  201   2HB   MET  28          2HB       MET  28  11.893   0.547  -2.365
  202   1HG   MET  28          1HG       MET  28  13.631   2.570  -2.890
  203   2HG   MET  28          2HG       MET  28  13.459   1.872  -1.272
  204   1HE   MET  28          1HE       MET  28  16.696   3.153  -1.705
  205   2HE   MET  28          2HE       MET  28  17.167   2.573  -3.329
  206   3HE   MET  28          3HE       MET  28  15.616   3.434  -3.107
  207    H    PHE  29           H        PHE  29  10.266  -0.272  -4.571
  208    HA   PHE  29           HA       PHE  29  11.021  -3.105  -5.507
  209   1HB   PHE  29          1HB       PHE  29   8.599  -2.215  -3.814
  210   2HB   PHE  29          2HB       PHE  29   8.747  -3.791  -4.542
  211    HD1  PHE  29           HD1      PHE  29  12.069  -2.917  -3.650
  212    HD2  PHE  29           HD2      PHE  29   8.360  -4.194  -1.874
  213    HE1  PHE  29           HE1      PHE  29  13.282  -3.728  -1.668
  214    HE2  PHE  29           HE2      PHE  29   9.597  -5.013   0.090
  215    HZ   PHE  29           HZ       PHE  29  12.051  -4.775   0.201
  216    H    ASP  30           H        ASP  30  10.741  -0.804  -7.181
  217    HA   ASP  30           HA       ASP  30   8.576  -1.714  -9.072
  218   1HB   ASP  30          1HB       ASP  30   8.431   1.249  -8.469
  219   2HB   ASP  30          2HB       ASP  30   7.714   0.162  -7.302
  220    H    ALA  31           H        ALA  31  10.575  -2.253 -10.132
  221    HA   ALA  31           HA       ALA  31  12.749  -0.463 -10.845
  222   1HB   ALA  31          1HB       ALA  31  13.309  -2.140 -12.611
  223   2HB   ALA  31          2HB       ALA  31  12.934  -2.918 -11.061
  224   3HB   ALA  31          3HB       ALA  31  11.739  -2.947 -12.384
  225    H    ASP  32           H        ASP  32   9.663  -1.189 -12.432
  226    HA   ASP  32           HA       ASP  32   9.710   1.394 -13.987
  227   1HB   ASP  32          1HB       ASP  32   9.341  -1.144 -15.651
  228   2HB   ASP  32          2HB       ASP  32  10.931  -0.466 -15.389
  229    H    GLY  33           H        GLY  33   7.665   1.989 -14.726
  230   1HA   GLY  33          1HA       GLY  33   5.185   1.534 -15.073
  231   2HA   GLY  33          2HA       GLY  33   5.283   0.307 -13.805
  232    H    GLY  34           H        GLY  34   6.445   1.431 -11.716
  233   1HA   GLY  34          1HA       GLY  34   5.874   2.720  -9.735
  234   2HA   GLY  34          2HA       GLY  34   5.925   4.098 -10.841
  235    H    GLY  35           H        GLY  35   3.750   1.295 -10.395
  236   1HA   GLY  35          1HA       GLY  35   1.330   3.142 -10.046
  237   2HA   GLY  35          2HA       GLY  35   1.298   1.978 -11.372
  238    H    ASP  36           H        ASP  36   2.586  -0.187 -10.152
  239    HA   ASP  36           HA       ASP  36   1.007  -1.001  -7.706
  240   1HB   ASP  36          1HB       ASP  36   0.143  -1.743 -10.462
  241   2HB   ASP  36          2HB       ASP  36  -0.769  -1.637  -8.975
  242    H    ILE  37           H        ILE  37   1.664  -3.032  -6.875
  243    HA   ILE  37           HA       ILE  37   4.088  -4.454  -8.028
  244    HB   ILE  37           HB       ILE  37   5.562  -4.168  -6.186
  245   1HG1  ILE  37          1HG1      ILE  37   4.164  -2.060  -4.606
  246   2HG1  ILE  37          2HG1      ILE  37   3.289  -3.576  -4.563
  247   1HG2  ILE  37          1HG2      ILE  37   6.156  -1.748  -6.358
  248   2HG2  ILE  37          2HG2      ILE  37   5.624  -2.358  -7.931
  249   3HG2  ILE  37          3HG2      ILE  37   4.526  -1.353  -6.955
  250   1HD1  ILE  37          1HD1      ILE  37   6.216  -3.248  -3.684
  251   2HD1  ILE  37          2HD1      ILE  37   4.794  -3.520  -2.655
  252   3HD1  ILE  37          3HD1      ILE  37   5.344  -4.803  -3.757
  253    H    SER  38           H        SER  38   4.696  -6.109  -6.048
  254    HA   SER  38           HA       SER  38   2.279  -7.832  -5.654
  255   1HB   SER  38          1HB       SER  38   4.661  -8.738  -4.183
  256   2HB   SER  38          2HB       SER  38   5.072  -8.296  -5.842
  257    HG   SER  38           HG       SER  38   3.951  -9.892  -6.554
  258    H    THR  39           H        THR  39   1.276  -8.294  -3.766
  259    HA   THR  39           HA       THR  39   1.300  -6.247  -1.591
  260    HB   THR  39           HB       THR  39  -0.850  -7.083  -2.279
  261    HG1  THR  39           HG1      THR  39  -1.649  -7.436  -0.311
  262   1HG2  THR  39          1HG2      THR  39  -1.688  -9.360  -1.899
  263   2HG2  THR  39          2HG2      THR  39  -0.271  -9.449  -2.970
  264   3HG2  THR  39          3HG2      THR  39  -0.121  -9.896  -1.250
  265    H    LYS  40           H        LYS  40   2.482  -9.520  -2.099
  266    HA   LYS  40           HA       LYS  40   2.980 -10.376   0.629
  267   1HB   LYS  40          1HB       LYS  40   3.816 -11.264  -2.071
  268   2HB   LYS  40          2HB       LYS  40   3.359 -12.209  -0.670
  269   1HG   LYS  40          1HG       LYS  40   6.139 -10.958  -1.104
  270   2HG   LYS  40          2HG       LYS  40   5.689 -11.954   0.266
  271   1HD   LYS  40          1HD       LYS  40   6.635 -13.654  -0.985
  272   2HD   LYS  40          2HD       LYS  40   5.036 -13.717  -1.708
  273   1HE   LYS  40          1HE       LYS  40   7.173 -13.622  -3.284
  274   2HE   LYS  40          2HE       LYS  40   7.151 -11.886  -2.968
  275   1HZ   LYS  40          1HZ       LYS  40   4.672 -13.246  -3.850
  276   2HZ   LYS  40          2HZ       LYS  40   5.110 -11.664  -4.042
  277   3HZ   LYS  40          3HZ       LYS  40   5.830 -12.838  -4.955
  278    H    GLU  41           H        GLU  41   4.794  -8.326  -1.589
  279    HA   GLU  41           HA       GLU  41   7.227  -8.152   0.173
  280   1HB   GLU  41          1HB       GLU  41   6.563  -6.935  -2.550
  281   2HB   GLU  41          2HB       GLU  41   7.995  -6.470  -1.654
  282   1HG   GLU  41          1HG       GLU  41   8.677  -8.161  -3.247
  283   2HG   GLU  41          2HG       GLU  41   7.330  -9.216  -2.854
  284    H    LEU  42           H        LEU  42   4.616  -6.026  -0.985
  285    HA   LEU  42           HA       LEU  42   5.163  -3.491  -0.040
  286   1HB   LEU  42          1HB       LEU  42   3.077  -3.744  -1.109
  287   2HB   LEU  42          2HB       LEU  42   2.558  -5.052  -0.067
  288    HG   LEU  42           HG       LEU  42   2.935  -2.450   1.386
  289   1HD1  LEU  42          1HD1      LEU  42   0.497  -4.336   1.267
  290   2HD1  LEU  42          2HD1      LEU  42   1.864  -4.566   2.369
  291   3HD1  LEU  42          3HD1      LEU  42   0.851  -3.107   2.508
  292   1HD2  LEU  42          1HD2      LEU  42   0.934  -1.315   0.490
  293   2HD2  LEU  42          2HD2      LEU  42   2.042  -1.635  -0.867
  294   3HD2  LEU  42          3HD2      LEU  42   0.612  -2.658  -0.637
  295    H    GLY  43           H        GLY  43   3.962  -6.189   1.950
  296   1HA   GLY  43          1HA       GLY  43   3.736  -5.123   4.580
  297   2HA   GLY  43          2HA       GLY  43   4.382  -6.738   4.268
  298    H    THR  44           H        THR  44   6.713  -6.737   3.437
  299    HA   THR  44           HA       THR  44   8.585  -6.094   5.356
  300    HB   THR  44           HB       THR  44   8.935  -6.369   2.365
  301    HG1  THR  44           HG1      THR  44   9.722  -8.244   2.947
  302   1HG2  THR  44          1HG2      THR  44  11.423  -6.384   2.614
  303   2HG2  THR  44          2HG2      THR  44  10.759  -4.765   2.915
  304   3HG2  THR  44          3HG2      THR  44  11.274  -5.783   4.284
  305    H    VAL  45           H        VAL  45   7.633  -3.954   2.679
  306    HA   VAL  45           HA       VAL  45   9.548  -1.815   3.001
  307    HB   VAL  45           HB       VAL  45   6.698  -1.204   2.124
  308   1HG1  VAL  45          1HG1      VAL  45   8.784  -2.516   0.272
  309   2HG1  VAL  45          2HG1      VAL  45   7.447  -3.405   1.012
  310   3HG1  VAL  45          3HG1      VAL  45   7.101  -2.078  -0.120
  311   1HG2  VAL  45          1HG2      VAL  45   7.712   0.410   0.600
  312   2HG2  VAL  45          2HG2      VAL  45   8.469   0.678   2.187
  313   3HG2  VAL  45          3HG2      VAL  45   9.357  -0.194   0.930
  314    H    MET  46           H        MET  46   6.262  -2.171   4.378
  315    HA   MET  46           HA       MET  46   6.009   0.204   5.928
  316   1HB   MET  46          1HB       MET  46   5.042  -2.291   7.315
  317   2HB   MET  46          2HB       MET  46   4.470  -2.065   5.672
  318   1HG   MET  46          1HG       MET  46   4.078   0.500   6.880
  319   2HG   MET  46          2HG       MET  46   2.841  -0.706   6.490
  320   1HE   MET  46          1HE       MET  46   3.213  -3.104   8.014
  321   2HE   MET  46          2HE       MET  46   2.902  -2.971   9.770
  322   3HE   MET  46          3HE       MET  46   1.663  -2.426   8.602
  323    NH1  ARG  47           NH1      ARG  47  11.734  -8.109  11.091
  324    NH2  ARG  47           NH2      ARG  47  12.581  -6.795  12.739
  325    H    ARG  47           H        ARG  47   7.697  -2.813   6.752
  326    HA   ARG  47           HA       ARG  47   8.389  -2.149   9.542
  327   1HB   ARG  47          1HB       ARG  47   8.369  -4.497   8.765
  328   2HB   ARG  47          2HB       ARG  47   9.639  -4.166   7.596
  329   1HG   ARG  47          1HG       ARG  47  11.346  -3.925   9.250
  330   2HG   ARG  47          2HG       ARG  47  10.196  -3.650  10.559
  331   1HD   ARG  47          1HD       ARG  47   9.362  -6.165   9.873
  332   2HD   ARG  47          2HD       ARG  47  11.012  -6.288   9.265
  333    HE   ARG  47           HE       ARG  47  10.580  -5.366  12.141
  334   1HH1  ARG  47          1HH1      ARG  47  13.229  -7.570  12.915
  335   2HH1  ARG  47          2HH1      ARG  47  12.521  -5.913  13.259
  336   1HH2  ARG  47          1HH2      ARG  47  11.149  -8.175  10.251
  337   2HH2  ARG  47          2HH2      ARG  47  12.318  -8.853  11.493
  338    H    MET  48           H        MET  48  10.032  -1.760   6.423
  339    HA   MET  48           HA       MET  48  12.512  -0.554   7.640
  340   1HB   MET  48          1HB       MET  48  12.222  -0.317   4.681
  341   2HB   MET  48          2HB       MET  48  12.018  -1.962   5.259
  342   1HG   MET  48          1HG       MET  48  14.483  -0.657   4.759
  343   2HG   MET  48          2HG       MET  48  14.382  -0.672   6.527
  344   1HE   MET  48          1HE       MET  48  16.583  -2.482   6.667
  345   2HE   MET  48          2HE       MET  48  15.251  -2.415   7.859
  346   3HE   MET  48          3HE       MET  48  15.846  -3.997   7.275
  347    H    LEU  49           H        LEU  49   9.581   0.667   7.526
  348    HA   LEU  49           HA       LEU  49  10.401   3.478   6.619
  349   1HB   LEU  49          1HB       LEU  49   7.819   3.891   6.948
  350   2HB   LEU  49          2HB       LEU  49   7.663   2.148   6.961
  351    HG   LEU  49           HG       LEU  49   8.563   1.963   4.660
  352   1HD1  LEU  49          1HD1      LEU  49   6.716   3.094   3.414
  353   2HD1  LEU  49          2HD1      LEU  49   6.104   2.361   4.908
  354   3HD1  LEU  49          3HD1      LEU  49   6.356   4.122   4.824
  355   1HD2  LEU  49          1HD2      LEU  49   8.885   5.040   4.702
  356   2HD2  LEU  49          2HD2      LEU  49  10.205   3.846   4.635
  357   3HD2  LEU  49          3HD2      LEU  49   9.085   3.994   3.274
  358    H    GLY  50           H        GLY  50   9.165   1.463   9.240
  359   1HA   GLY  50          1HA       GLY  50  10.528   2.445  11.465
  360   2HA   GLY  50          2HA       GLY  50   9.308   3.708  11.274
  361    H    GLN  51           H        GLN  51   9.658   0.184  11.550
  362    HA   GLN  51           HA       GLN  51   7.363   0.074  13.555
  363   1HB   GLN  51          1HB       GLN  51   7.332  -1.253  10.839
  364   2HB   GLN  51          2HB       GLN  51   6.815  -2.237  12.196
  365   1HG   GLN  51          1HG       GLN  51   5.526   0.295  11.097
  366   2HG   GLN  51          2HG       GLN  51   4.803  -1.279  11.364
  367   1HE2  GLN  51          1HE2      GLN  51   3.878   1.316  14.107
  368   2HE2  GLN  51          2HE2      GLN  51   4.161   1.548  12.309
  369    H    ASN  52           H        ASN  52   7.299  -2.589  13.994
  370    HA   ASN  52           HA       ASN  52  10.041  -3.718  14.380
  371   1HB   ASN  52          1HB       ASN  52   8.647  -3.260  17.020
  372   2HB   ASN  52          2HB       ASN  52  10.356  -3.424  16.679
  373   1HD2  ASN  52          1HD2      ASN  52  10.748   0.160  16.394
  374   2HD2  ASN  52          2HD2      ASN  52  11.520  -1.503  16.331
  375    HA   PRO  53           HA       PRO  53   6.237  -6.626  14.961
  376   1HB   PRO  53          1HB       PRO  53   4.907  -5.527  13.330
  377   2HB   PRO  53          2HB       PRO  53   5.185  -7.076  12.510
  378   1HG   PRO  53          1HG       PRO  53   6.805  -6.262  11.054
  379   2HG   PRO  53          2HG       PRO  53   5.937  -4.727  11.287
  380   1HD   PRO  53          1HD       PRO  53   8.686  -5.325  12.005
  381   2HD   PRO  53          2HD       PRO  53   7.775  -3.851  12.449
  382    H    THR  54           H        THR  54   5.650  -8.802  13.422
  383    HA   THR  54           HA       THR  54   8.264 -10.396  13.306
  384    HB   THR  54           HB       THR  54   5.533 -11.227  14.357
  385    HG1  THR  54           HG1      THR  54   7.034 -12.010  16.001
  386   1HG2  THR  54          1HG2      THR  54   6.317 -13.563  14.573
  387   2HG2  THR  54          2HG2      THR  54   6.268 -13.103  12.855
  388   3HG2  THR  54          3HG2      THR  54   7.828 -13.182  13.712
  389    H    LYS  55           H        LYS  55   8.126 -12.310  11.871
  390    HA   LYS  55           HA       LYS  55   7.363 -11.513   9.117
  391   1HB   LYS  55          1HB       LYS  55   8.096 -14.391   9.756
  392   2HB   LYS  55          2HB       LYS  55   8.499 -13.430   8.349
  393   1HG   LYS  55          1HG       LYS  55   9.917 -13.700  10.978
  394   2HG   LYS  55          2HG       LYS  55   9.868 -12.054  10.377
  395   1HD   LYS  55          1HD       LYS  55  10.846 -12.954   8.129
  396   2HD   LYS  55          2HD       LYS  55  11.901 -12.904   9.533
  397   1HE   LYS  55          1HE       LYS  55  10.952 -15.474   9.835
  398   2HE   LYS  55          2HE       LYS  55  10.823 -15.333   8.081
  399   1HZ   LYS  55          1HZ       LYS  55  13.278 -14.358   8.446
  400   2HZ   LYS  55          2HZ       LYS  55  13.211 -15.354   9.762
  401   3HZ   LYS  55          3HZ       LYS  55  12.982 -15.971   8.247
  402    H    GLU  56           H        GLU  56   6.085 -13.653  11.612
  403    HA   GLU  56           HA       GLU  56   4.034 -15.063  10.100
  404   1HB   GLU  56          1HB       GLU  56   3.415 -16.020  12.047
  405   2HB   GLU  56          2HB       GLU  56   4.935 -15.355  12.610
  406   1HG   GLU  56          1HG       GLU  56   2.095 -14.373  13.203
  407   2HG   GLU  56          2HG       GLU  56   3.436 -13.250  13.355
  408    H    GLU  57           H        GLU  57   4.141 -11.890  11.622
  409    HA   GLU  57           HA       GLU  57   1.250 -11.242  11.396
  410   1HB   GLU  57          1HB       GLU  57   1.810  -8.986  12.069
  411   2HB   GLU  57          2HB       GLU  57   3.506  -9.198  11.682
  412   1HG   GLU  57          1HG       GLU  57   3.812 -10.773  13.583
  413   2HG   GLU  57          2HG       GLU  57   2.086 -10.805  13.900
  414    H    LEU  58           H        LEU  58   4.137 -10.832   9.418
  415    HA   LEU  58           HA       LEU  58   3.076  -9.049   7.350
  416   1HB   LEU  58          1HB       LEU  58   5.534  -9.610   7.724
  417   2HB   LEU  58          2HB       LEU  58   5.257 -11.191   7.027
  418    HG   LEU  58           HG       LEU  58   4.562  -8.698   5.392
  419   1HD1  LEU  58          1HD1      LEU  58   6.896  -8.684   4.453
  420   2HD1  LEU  58          2HD1      LEU  58   6.889  -8.271   6.173
  421   3HD1  LEU  58          3HD1      LEU  58   7.398  -9.897   5.657
  422   1HD2  LEU  58          1HD2      LEU  58   5.543 -11.507   4.548
  423   2HD2  LEU  58          2HD2      LEU  58   3.862 -10.922   4.466
  424   3HD2  LEU  58          3HD2      LEU  58   5.108 -10.174   3.449
  425    H    ASP  59           H        ASP  59   2.999 -12.537   7.855
  426    HA   ASP  59           HA       ASP  59   1.857 -13.313   5.253
  427   1HB   ASP  59          1HB       ASP  59   2.272 -14.754   7.882
  428   2HB   ASP  59          2HB       ASP  59   1.077 -15.415   6.790
  429    H    ALA  60           H        ALA  60   0.529 -12.318   8.359
  430    HA   ALA  60           HA       ALA  60  -2.295 -12.957   7.906
  431   1HB   ALA  60          1HB       ALA  60  -2.748 -11.418   9.811
  432   2HB   ALA  60          2HB       ALA  60  -1.402 -12.515  10.172
  433   3HB   ALA  60          3HB       ALA  60  -1.075 -10.812   9.761
  434    H    ILE  61           H        ILE  61  -0.360 -10.006   7.378
  435    HA   ILE  61           HA       ILE  61  -2.266  -8.104   6.557
  436    HB   ILE  61           HB       ILE  61   0.621  -8.495   5.818
  437   1HG1  ILE  61          1HG1      ILE  61  -0.536  -5.799   6.612
  438   2HG1  ILE  61          2HG1      ILE  61   1.010  -6.513   7.015
  439   1HG2  ILE  61          1HG2      ILE  61   0.634  -6.564   4.217
  440   2HG2  ILE  61          2HG2      ILE  61  -0.346  -7.887   3.588
  441   3HG2  ILE  61          3HG2      ILE  61  -1.142  -6.463   4.296
  442   1HD1  ILE  61          1HD1      ILE  61   0.017  -7.992   8.739
  443   2HD1  ILE  61          2HD1      ILE  61  -0.438  -6.298   9.025
  444   3HD1  ILE  61          3HD1      ILE  61  -1.621  -7.422   8.316
  445    H    ILE  62           H        ILE  62  -0.930 -10.879   4.844
  446    HA   ILE  62           HA       ILE  62  -1.982 -10.282   2.135
  447    HB   ILE  62           HB       ILE  62  -0.853 -12.818   3.394
  448   1HG1  ILE  62          1HG1      ILE  62   0.750 -10.942   2.680
  449   2HG1  ILE  62          2HG1      ILE  62   1.055 -12.506   1.955
  450   1HG2  ILE  62          1HG2      ILE  62  -1.048 -13.985   1.183
  451   2HG2  ILE  62          2HG2      ILE  62  -2.646 -13.579   1.806
  452   3HG2  ILE  62          3HG2      ILE  62  -1.935 -12.597   0.506
  453   1HD1  ILE  62          1HD1      ILE  62  -0.291 -10.160   0.491
  454   2HD1  ILE  62          2HD1      ILE  62   1.342 -10.811   0.237
  455   3HD1  ILE  62          3HD1      ILE  62  -0.077 -11.797  -0.188
  456    H    GLU  63           H        GLU  63  -3.024 -12.355   4.844
  457    HA   GLU  63           HA       GLU  63  -5.417 -13.504   3.759
  458   1HB   GLU  63          1HB       GLU  63  -6.138 -13.077   6.427
  459   2HB   GLU  63          2HB       GLU  63  -4.389 -13.031   6.510
  460   1HG   GLU  63          1HG       GLU  63  -6.116 -15.353   5.446
  461   2HG   GLU  63          2HG       GLU  63  -4.372 -15.310   5.248
  462    H    GLU  64           H        GLU  64  -4.817 -10.292   5.062
  463    HA   GLU  64           HA       GLU  64  -7.599  -9.395   5.350
  464   1HB   GLU  64          1HB       GLU  64  -5.497  -8.395   6.458
  465   2HB   GLU  64          2HB       GLU  64  -5.191  -7.553   4.952
  466   1HG   GLU  64          1HG       GLU  64  -7.032  -6.080   5.220
  467   2HG   GLU  64          2HG       GLU  64  -7.951  -7.210   6.200
  468    H    VAL  65           H        VAL  65  -5.099  -8.620   2.908
  469    HA   VAL  65           HA       VAL  65  -6.656  -6.951   1.151
  470    HB   VAL  65           HB       VAL  65  -4.121  -8.523   0.793
  471   1HG1  VAL  65          1HG1      VAL  65  -4.764  -5.592   0.066
  472   2HG1  VAL  65          2HG1      VAL  65  -4.227  -6.112   1.674
  473   3HG1  VAL  65          3HG1      VAL  65  -3.157  -6.335   0.269
  474   1HG2  VAL  65          1HG2      VAL  65  -3.896  -8.149  -1.614
  475   2HG2  VAL  65          2HG2      VAL  65  -5.443  -8.999  -1.380
  476   3HG2  VAL  65          3HG2      VAL  65  -5.436  -7.259  -1.699
  477    H    ASP  66           H        ASP  66  -6.324 -10.477   1.343
  478    HA   ASP  66           HA       ASP  66  -8.274 -10.875  -0.973
  479   1HB   ASP  66          1HB       ASP  66  -6.829 -13.238   0.257
  480   2HB   ASP  66          2HB       ASP  66  -5.876 -12.104  -0.672
  481    H    GLU  67           H        GLU  67  -9.598  -9.882   0.974
  482    HA   GLU  67           HA       GLU  67 -10.690 -11.849   2.968
  483   1HB   GLU  67          1HB       GLU  67 -10.821  -9.755   3.899
  484   2HB   GLU  67          2HB       GLU  67 -11.126  -8.938   2.379
  485   1HG   GLU  67          1HG       GLU  67 -13.483  -9.340   2.464
  486   2HG   GLU  67          2HG       GLU  67 -13.324 -10.726   3.530
  487    H    ASP  68           H        ASP  68 -11.524 -10.476  -0.174
  488    HA   ASP  68           HA       ASP  68 -13.389 -12.797  -0.737
  489   1HB   ASP  68          1HB       ASP  68 -15.119 -11.413   0.008
  490   2HB   ASP  68          2HB       ASP  68 -14.346  -9.935  -0.517
  491    H    GLY  69           H        GLY  69 -12.404  -9.627  -2.105
  492   1HA   GLY  69          1HA       GLY  69 -12.211 -10.693  -4.916
  493   2HA   GLY  69          2HA       GLY  69 -11.853  -9.039  -4.408
  494    H    SER  70           H        SER  70 -10.357 -10.979  -6.069
  495    HA   SER  70           HA       SER  70  -7.680 -11.041  -4.565
  496   1HB   SER  70          1HB       SER  70  -8.270 -12.856  -6.944
  497   2HB   SER  70          2HB       SER  70  -8.808 -13.294  -5.320
  498    HG   SER  70           HG       SER  70  -6.392 -13.464  -6.394
  499    H    GLY  71           H        GLY  71  -6.959  -9.041  -5.164
  500   1HA   GLY  71          1HA       GLY  71  -7.035  -7.213  -7.121
  501   2HA   GLY  71          2HA       GLY  71  -6.454  -8.532  -8.143
  502    H    THR  72           H        THR  72  -5.150  -6.057  -7.650
  503    HA   THR  72           HA       THR  72  -2.505  -7.083  -6.552
  504    HB   THR  72           HB       THR  72  -1.285  -5.925  -8.104
  505    HG1  THR  72           HG1      THR  72  -3.329  -4.279  -8.999
  506   1HG2  THR  72          1HG2      THR  72  -2.183  -7.406  -9.678
  507   2HG2  THR  72          2HG2      THR  72  -3.845  -6.800  -9.503
  508   3HG2  THR  72          3HG2      THR  72  -2.642  -5.858 -10.422
  509    H    ILE  73           H        ILE  73  -1.227  -4.569  -6.376
  510    HA   ILE  73           HA       ILE  73  -2.855  -2.991  -4.359
  511    HB   ILE  73           HB       ILE  73  -1.199  -4.653  -3.274
  512   1HG1  ILE  73          1HG1      ILE  73  -1.532  -1.722  -2.477
  513   2HG1  ILE  73          2HG1      ILE  73  -0.592  -2.816  -1.479
  514   1HG2  ILE  73          1HG2      ILE  73   1.126  -3.940  -2.860
  515   2HG2  ILE  73          2HG2      ILE  73   0.877  -4.091  -4.605
  516   3HG2  ILE  73          3HG2      ILE  73   0.915  -2.479  -3.853
  517   1HD1  ILE  73          1HD1      ILE  73  -2.758  -4.398  -1.547
  518   2HD1  ILE  73          2HD1      ILE  73  -2.686  -2.996  -0.459
  519   3HD1  ILE  73          3HD1      ILE  73  -3.593  -2.883  -1.986
  520    H    ASP  74           H        ASP  74  -2.371  -0.797  -4.236
  521    HA   ASP  74           HA       ASP  74  -0.467   0.366  -6.329
  522   1HB   ASP  74          1HB       ASP  74  -2.272   2.249  -6.633
  523   2HB   ASP  74          2HB       ASP  74  -2.391   0.754  -7.533
  524    H    PHE  75           H        PHE  75  -0.458   2.896  -5.895
  525    HA   PHE  75           HA       PHE  75   0.941   3.160  -3.293
  526   1HB   PHE  75          1HB       PHE  75   0.359   5.211  -5.507
  527   2HB   PHE  75          2HB       PHE  75   1.820   4.279  -5.311
  528    HD1  PHE  75           HD1      PHE  75   0.133   7.366  -4.469
  529    HD2  PHE  75           HD2      PHE  75   3.184   4.690  -3.037
  530    HE1  PHE  75           HE1      PHE  75   1.181   9.211  -3.224
  531    HE2  PHE  75           HE2      PHE  75   4.204   6.546  -1.779
  532    HZ   PHE  75           HZ       PHE  75   3.213   8.805  -1.875
  533    H    GLU  76           H        GLU  76  -2.148   4.160  -4.669
  534    HA   GLU  76           HA       GLU  76  -2.980   6.088  -2.608
  535   1HB   GLU  76          1HB       GLU  76  -4.011   5.256  -5.081
  536   2HB   GLU  76          2HB       GLU  76  -4.643   6.498  -4.018
  537   1HG   GLU  76          1HG       GLU  76  -5.614   3.624  -4.386
  538   2HG   GLU  76          2HG       GLU  76  -5.928   4.416  -2.851
  539    H    GLU  77           H        GLU  77  -4.168   2.778  -3.253
  540    HA   GLU  77           HA       GLU  77  -5.449   2.199  -0.726
  541   1HB   GLU  77          1HB       GLU  77  -4.636  -0.296  -1.306
  542   2HB   GLU  77          2HB       GLU  77  -4.221   0.423  -2.850
  543   1HG   GLU  77          1HG       GLU  77  -6.997   0.142  -1.575
  544   2HG   GLU  77          2HG       GLU  77  -6.734   1.351  -2.821
  545    H    PHE  78           H        PHE  78  -2.065   2.241  -1.653
  546    HA   PHE  78           HA       PHE  78  -0.927   0.686   0.541
  547   1HB   PHE  78          1HB       PHE  78   0.650   0.865  -1.106
  548   2HB   PHE  78          2HB       PHE  78   0.137   2.449  -1.625
  549    HD1  PHE  78           HD1      PHE  78   2.300   0.599   0.799
  550    HD2  PHE  78           HD2      PHE  78   1.151   4.506  -0.588
  551    HE1  PHE  78           HE1      PHE  78   4.311   1.569   1.834
  552    HE2  PHE  78           HE2      PHE  78   3.166   5.459   0.455
  553    HZ   PHE  78           HZ       PHE  78   4.722   4.004   1.708
  554    H    LEU  79           H        LEU  79  -1.666   4.129   0.135
  555    HA   LEU  79           HA       LEU  79  -0.552   5.063   2.743
  556   1HB   LEU  79          1HB       LEU  79  -2.653   6.429   0.958
  557   2HB   LEU  79          2HB       LEU  79  -1.812   7.168   2.304
  558    HG   LEU  79           HG       LEU  79  -0.652   6.357  -0.419
  559   1HD1  LEU  79          1HD1      LEU  79   1.039   7.275   1.993
  560   2HD1  LEU  79          2HD1      LEU  79   0.960   5.602   1.409
  561   3HD1  LEU  79          3HD1      LEU  79   1.631   6.875   0.360
  562   1HD2  LEU  79          1HD2      LEU  79  -0.051   8.731  -0.625
  563   2HD2  LEU  79          2HD2      LEU  79  -1.758   8.664  -0.121
  564   3HD2  LEU  79          3HD2      LEU  79  -0.506   9.058   1.066
  565    H    VAL  80           H        VAL  80  -3.607   3.827   1.508
  566    HA   VAL  80           HA       VAL  80  -5.389   4.612   3.672
  567    HB   VAL  80           HB       VAL  80  -5.594   2.411   1.582
  568   1HG1  VAL  80          1HG1      VAL  80  -7.930   1.916   2.332
  569   2HG1  VAL  80          2HG1      VAL  80  -6.762   1.466   3.581
  570   3HG1  VAL  80          3HG1      VAL  80  -7.712   2.959   3.762
  571   1HG2  VAL  80          1HG2      VAL  80  -7.321   4.932   2.043
  572   2HG2  VAL  80          2HG2      VAL  80  -6.055   4.768   0.804
  573   3HG2  VAL  80          3HG2      VAL  80  -7.503   3.755   0.719
  574    H    MET  81           H        MET  81  -3.298   1.796   3.166
  575    HA   MET  81           HA       MET  81  -4.244   0.263   5.550
  576   1HB   MET  81          1HB       MET  81  -2.936  -1.485   4.829
  577   2HB   MET  81          2HB       MET  81  -3.137  -0.636   3.308
  578   1HG   MET  81          1HG       MET  81  -0.849  -0.911   3.167
  579   2HG   MET  81          2HG       MET  81  -0.805   0.573   4.132
  580   1HE   MET  81          1HE       MET  81  -0.110  -3.782   5.411
  581   2HE   MET  81          2HE       MET  81  -1.764  -3.278   5.868
  582   3HE   MET  81          3HE       MET  81  -1.244  -3.185   4.160
  583    H    MET  82           H        MET  82  -1.629   2.480   4.742
  584    HA   MET  82           HA       MET  82   0.175   2.017   6.979
  585   1HB   MET  82          1HB       MET  82  -0.218   4.344   5.064
  586   2HB   MET  82          2HB       MET  82   0.749   4.608   6.503
  587   1HG   MET  82          1HG       MET  82   1.888   2.230   5.568
  588   2HG   MET  82          2HG       MET  82   1.398   3.004   4.052
  589   1HE   MET  82          1HE       MET  82   4.191   4.814   7.303
  590   2HE   MET  82          2HE       MET  82   2.847   3.659   7.545
  591   3HE   MET  82          3HE       MET  82   4.382   3.099   6.821
  592    H    VAL  83           H        VAL  83  -2.337   4.525   6.528
  593    HA   VAL  83           HA       VAL  83  -2.180   5.759   9.178
  594    HB   VAL  83           HB       VAL  83  -4.766   6.293   8.572
  595   1HG1  VAL  83          1HG1      VAL  83  -3.557   5.908   5.763
  596   2HG1  VAL  83          2HG1      VAL  83  -4.701   4.770   6.488
  597   3HG1  VAL  83          3HG1      VAL  83  -5.203   6.449   6.179
  598   1HG2  VAL  83          1HG2      VAL  83  -4.050   8.404   7.577
  599   2HG2  VAL  83          2HG2      VAL  83  -2.815   7.977   8.783
  600   3HG2  VAL  83          3HG2      VAL  83  -2.485   7.722   7.064
  601    NH1  ARG  84           NH1      ARG  84  -7.917  -2.878   6.613
  602    NH2  ARG  84           NH2      ARG  84  -8.527  -1.873   4.670
  603    H    ARG  84           H        ARG  84  -4.254   3.185   7.821
  604    HA   ARG  84           HA       ARG  84  -5.974   2.519  10.040
  605   1HB   ARG  84          1HB       ARG  84  -4.892   0.988   7.676
  606   2HB   ARG  84          2HB       ARG  84  -5.428   0.013   9.037
  607   1HG   ARG  84          1HG       ARG  84  -7.589   1.702   8.893
  608   2HG   ARG  84          2HG       ARG  84  -7.078   1.764   7.205
  609   1HD   ARG  84          1HD       ARG  84  -7.210  -1.002   8.458
  610   2HD   ARG  84          2HD       ARG  84  -8.752  -0.189   8.197
  611    HE   ARG  84           HE       ARG  84  -7.303   0.079   5.713
  612   1HH1  ARG  84          1HH1      ARG  84  -8.708  -2.823   4.327
  613   2HH1  ARG  84          2HH1      ARG  84  -8.675  -0.996   4.159
  614   1HH2  ARG  84          1HH2      ARG  84  -7.644  -2.767   7.596
  615   2HH2  ARG  84          2HH2      ARG  84  -8.094  -3.761   6.120
  616    H    GLN  85           H        GLN  85  -2.582   1.700   9.422
  617    HA   GLN  85           HA       GLN  85  -2.260  -0.340  11.542
  618   1HB   GLN  85          1HB       GLN  85   0.195   1.187  10.726
  619   2HB   GLN  85          2HB       GLN  85  -0.713   0.493   9.394
  620   1HG   GLN  85          1HG       GLN  85   1.225  -0.878  10.662
  621   2HG   GLN  85          2HG       GLN  85  -0.137  -1.677   9.905
  622   1HE2  GLN  85          1HE2      GLN  85  -1.377  -2.981  13.016
  623   2HE2  GLN  85          2HE2      GLN  85  -1.678  -2.719  11.225
  624    H    MET  86           H        MET  86  -1.233   3.074  11.269
  625    HA   MET  86           HA       MET  86   0.004   3.447  13.839
  626   1HB   MET  86          1HB       MET  86  -0.993   5.237  11.709
  627   2HB   MET  86          2HB       MET  86  -1.264   5.935  13.296
  628   1HG   MET  86          1HG       MET  86   1.065   6.283  11.942
  629   2HG   MET  86          2HG       MET  86   1.502   4.782  12.773
  630   1HE   MET  86          1HE       MET  86  -0.733   8.102  14.030
  631   2HE   MET  86          2HE       MET  86   0.718   8.937  14.660
  632   3HE   MET  86          3HE       MET  86   0.630   8.487  12.932
  633    H    LYS  87           H        LYS  87  -3.383   3.506  12.877
  634    HA   LYS  87           HA       LYS  87  -4.627   4.601  15.290
  635   1HB   LYS  87          1HB       LYS  87  -5.649   3.833  12.879
  636   2HB   LYS  87          2HB       LYS  87  -6.077   2.397  13.786
  637   1HG   LYS  87          1HG       LYS  87  -7.588   3.559  15.198
  638   2HG   LYS  87          2HG       LYS  87  -7.848   4.261  13.613
  639   1HD   LYS  87          1HD       LYS  87  -6.172   5.553  15.869
  640   2HD   LYS  87          2HD       LYS  87  -6.377   6.224  14.259
  641   1HE   LYS  87          1HE       LYS  87  -8.636   6.827  14.588
  642   2HE   LYS  87          2HE       LYS  87  -8.920   5.610  15.834
  643   1HZ   LYS  87          1HZ       LYS  87  -7.604   8.237  16.088
  644   2HZ   LYS  87          2HZ       LYS  87  -8.766   7.552  17.042
  645   3HZ   LYS  87          3HZ       LYS  87  -7.198   7.046  17.159
  646    H    GLU  88           H        GLU  88  -4.004   1.219  14.283
  647    HA   GLU  88           HA       GLU  88  -4.931  -0.179  16.653
  648   1HB   GLU  88          1HB       GLU  88  -4.275  -1.219  14.415
  649   2HB   GLU  88          2HB       GLU  88  -2.594  -1.071  14.887
  650   1HG   GLU  88          1HG       GLU  88  -2.829  -2.694  16.684
  651   2HG   GLU  88          2HG       GLU  88  -4.581  -2.595  16.668
  652    H    ASP  89           H        ASP  89  -1.480   0.167  15.839
  653    HA   ASP  89           HA       ASP  89   0.471   0.624  17.156
  654   1HB   ASP  89          1HB       ASP  89  -0.889   2.826  17.455
  655   2HB   ASP  89          2HB       ASP  89  -1.342   2.223  19.032
  656    H    ALA  90           H        ALA  90  -0.104  -1.780  17.500
  657    HA   ALA  90           HA       ALA  90  -0.909  -2.610  20.279
  658   1HB   ALA  90          1HB       ALA  90  -0.157  -4.965  19.384
  659   2HB   ALA  90          2HB       ALA  90  -1.579  -4.221  18.626
  660   3HB   ALA  90          3HB       ALA  90  -0.009  -4.189  17.787
   
  Start of MODEL          16
 Raw file had  660 H/Q atoms
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1 -20.809   4.083   7.952
    2   2H    ALA   1          2H        ALA   1 -20.337   2.542   8.432
    3   3H    ALA   1          3H        ALA   1 -19.218   3.585   7.732
    4    HA   ALA   1           HA       ALA   1 -20.351   1.667   6.398
    5   1HB   ALA   1          1HB       ALA   1 -22.480   3.738   6.775
    6   2HB   ALA   1          2HB       ALA   1 -22.258   3.250   5.085
    7   3HB   ALA   1          3HB       ALA   1 -22.638   2.024   6.322
    8    H    SER   2           H        SER   2 -20.279   2.064   3.993
    9    HA   SER   2           HA       SER   2 -19.190   2.917   2.017
   10   1HB   SER   2          1HB       SER   2 -18.519   5.515   3.454
   11   2HB   SER   2          2HB       SER   2 -18.894   5.237   1.751
   12    HG   SER   2           HG       SER   2 -21.004   4.402   2.847
   13    H    MET   3           H        MET   3 -17.542   1.438   2.116
   14    HA   MET   3           HA       MET   3 -15.056   1.864   3.760
   15   1HB   MET   3          1HB       MET   3 -14.469  -0.213   1.956
   16   2HB   MET   3          2HB       MET   3 -16.203  -0.372   2.166
   17   1HG   MET   3          1HG       MET   3 -14.806   0.006   4.781
   18   2HG   MET   3          2HG       MET   3 -14.226  -1.408   3.887
   19   1HE   MET   3          1HE       MET   3 -15.926  -2.323   6.677
   20   2HE   MET   3          2HE       MET   3 -16.038  -0.543   6.545
   21   3HE   MET   3          3HE       MET   3 -17.529  -1.522   6.663
   22    H    THR   4           H        THR   4 -16.064   1.939   0.351
   23    HA   THR   4           HA       THR   4 -13.627   2.649  -1.008
   24    HB   THR   4           HB       THR   4 -16.527   3.111  -1.577
   25    HG1  THR   4           HG1      THR   4 -14.928   1.396  -2.225
   26   1HG2  THR   4          1HG2      THR   4 -16.147   4.466  -3.603
   27   2HG2  THR   4          2HG2      THR   4 -15.667   5.411  -2.175
   28   3HG2  THR   4          3HG2      THR   4 -14.425   4.674  -3.220
   29    H    ASP   5           H        ASP   5 -15.708   4.506   1.119
   30    HA   ASP   5           HA       ASP   5 -14.523   7.170   0.625
   31   1HB   ASP   5          1HB       ASP   5 -16.650   7.386   1.544
   32   2HB   ASP   5          2HB       ASP   5 -16.452   6.061   2.667
   33    H    GLN   6           H        GLN   6 -14.106   4.686   3.143
   34    HA   GLN   6           HA       GLN   6 -12.279   5.959   4.938
   35   1HB   GLN   6          1HB       GLN   6 -12.467   3.971   5.965
   36   2HB   GLN   6          2HB       GLN   6 -13.225   3.290   4.536
   37   1HG   GLN   6          1HG       GLN   6 -10.260   3.197   5.298
   38   2HG   GLN   6          2HG       GLN   6 -10.757   2.895   3.646
   39   1HE2  GLN   6          1HE2      GLN   6 -10.767  -0.512   5.017
   40   2HE2  GLN   6          2HE2      GLN   6  -9.655   0.782   4.341
   41    H    GLN   7           H        GLN   7 -11.656   4.327   1.859
   42    HA   GLN   7           HA       GLN   7  -8.805   4.053   1.832
   43   1HB   GLN   7          1HB       GLN   7  -9.628   3.089  -0.076
   44   2HB   GLN   7          2HB       GLN   7 -10.906   4.275  -0.272
   45   1HG   GLN   7          1HG       GLN   7  -9.288   5.923  -1.249
   46   2HG   GLN   7          2HG       GLN   7  -7.961   4.804  -1.012
   47   1HE2  GLN   7          1HE2      GLN   7 -10.547   4.272  -4.203
   48   2HE2  GLN   7          2HE2      GLN   7 -10.768   5.593  -2.949
   49    H    ALA   8           H        ALA   8 -10.757   6.864   0.776
   50    HA   ALA   8           HA       ALA   8  -8.435   8.579   0.086
   51   1HB   ALA   8          1HB       ALA   8 -10.938   8.640  -0.796
   52   2HB   ALA   8          2HB       ALA   8 -11.215   9.724   0.582
   53   3HB   ALA   8          3HB       ALA   8 -10.016  10.156  -0.663
   54    H    GLU   9           H        GLU   9 -10.497   8.086   2.896
   55    HA   GLU   9           HA       GLU   9 -10.171  10.464   4.433
   56   1HB   GLU   9          1HB       GLU   9 -11.175   9.391   6.138
   57   2HB   GLU   9          2HB       GLU   9 -11.468   8.159   4.927
   58   1HG   GLU   9          1HG       GLU   9  -9.026   7.265   5.903
   59   2HG   GLU   9          2HG       GLU   9 -10.593   6.717   6.474
   60    H    ALA  10           H        ALA  10  -7.946   7.763   3.973
   61    HA   ALA  10           HA       ALA  10  -6.019   8.267   6.098
   62   1HB   ALA  10          1HB       ALA  10  -4.454   6.855   4.772
   63   2HB   ALA  10          2HB       ALA  10  -6.072   6.131   4.847
   64   3HB   ALA  10          3HB       ALA  10  -5.528   6.940   3.355
   65    NH1  ARG  11           NH1      ARG  11  -4.612  12.577  -3.904
   66    NH2  ARG  11           NH2      ARG  11  -6.776  12.791  -3.242
   67    H    ARG  11           H        ARG  11  -6.103   9.323   2.690
   68    HA   ARG  11           HA       ARG  11  -3.606  10.822   2.570
   69   1HB   ARG  11          1HB       ARG  11  -6.094  11.610   0.959
   70   2HB   ARG  11          2HB       ARG  11  -5.226  10.115   0.637
   71   1HG   ARG  11          1HG       ARG  11  -4.323  12.964   0.159
   72   2HG   ARG  11          2HG       ARG  11  -3.070  11.806   0.609
   73   1HD   ARG  11          1HD       ARG  11  -3.260  11.890  -1.860
   74   2HD   ARG  11          2HD       ARG  11  -3.727  10.290  -1.288
   75    HE   ARG  11           HE       ARG  11  -6.181  11.004  -1.614
   76   1HH1  ARG  11          1HH1      ARG  11  -4.866  13.213  -4.668
   77   2HH1  ARG  11          2HH1      ARG  11  -3.691  12.159  -3.732
   78   1HH2  ARG  11          1HH2      ARG  11  -7.505  12.539  -2.566
   79   2HH2  ARG  11          2HH2      ARG  11  -6.878  13.410  -4.054
   80    H    ALA  12           H        ALA  12  -6.798  11.626   3.807
   81    HA   ALA  12           HA       ALA  12  -6.272  14.574   4.032
   82   1HB   ALA  12          1HB       ALA  12  -8.594  14.693   4.919
   83   2HB   ALA  12          2HB       ALA  12  -8.533  13.762   3.409
   84   3HB   ALA  12          3HB       ALA  12  -8.703  12.916   4.967
   85    H    PHE  13           H        PHE  13  -4.703  12.476   5.631
   86    HA   PHE  13           HA       PHE  13  -5.096  13.742   8.394
   87   1HB   PHE  13          1HB       PHE  13  -5.516  11.260   8.341
   88   2HB   PHE  13          2HB       PHE  13  -3.897  10.977   7.758
   89    HD1  PHE  13           HD1      PHE  13  -4.010   9.460   9.956
   90    HD2  PHE  13           HD2      PHE  13  -3.907  13.761  10.089
   91    HE1  PHE  13           HE1      PHE  13  -3.084   9.380  12.235
   92    HE2  PHE  13           HE2      PHE  13  -2.981  13.659  12.365
   93    HZ   PHE  13           HZ       PHE  13  -2.594  11.474  13.453
   94    H    LEU  14           H        LEU  14  -2.831  12.642   5.905
   95    HA   LEU  14           HA       LEU  14  -0.516  14.202   7.132
   96   1HB   LEU  14          1HB       LEU  14   0.686  12.438   6.438
   97   2HB   LEU  14          2HB       LEU  14   0.467  13.009   4.797
   98    HG   LEU  14           HG       LEU  14  -1.623  11.147   6.043
   99   1HD1  LEU  14          1HD1      LEU  14  -2.005  10.464   3.670
  100   2HD1  LEU  14          2HD1      LEU  14  -2.201  12.216   3.856
  101   3HD1  LEU  14          3HD1      LEU  14  -0.717  11.564   3.117
  102   1HD2  LEU  14          1HD2      LEU  14   1.001  10.216   4.695
  103   2HD2  LEU  14          2HD2      LEU  14   0.552   9.970   6.400
  104   3HD2  LEU  14          3HD2      LEU  14  -0.375   9.168   5.124
  105    H    SER  15           H        SER  15   0.884  15.225   5.299
  106    HA   SER  15           HA       SER  15  -0.881  17.291   3.940
  107   1HB   SER  15          1HB       SER  15   1.932  17.286   5.034
  108   2HB   SER  15          2HB       SER  15   0.634  18.466   5.230
  109    HG   SER  15           HG       SER  15   2.566  18.246   3.308
  110    H    GLU  16           H        GLU  16   0.075  18.183   1.856
  111    HA   GLU  16           HA       GLU  16  -0.007  16.113  -0.236
  112   1HB   GLU  16          1HB       GLU  16   1.073  18.784  -1.036
  113   2HB   GLU  16          2HB       GLU  16  -0.462  18.847  -0.194
  114   1HG   GLU  16          1HG       GLU  16   0.116  18.036  -2.973
  115   2HG   GLU  16          2HG       GLU  16  -0.762  16.753  -2.157
  116    H    GLU  17           H        GLU  17   2.539  17.901   1.393
  117    HA   GLU  17           HA       GLU  17   4.743  17.106  -0.473
  118   1HB   GLU  17          1HB       GLU  17   4.588  19.257   1.055
  119   2HB   GLU  17          2HB       GLU  17   5.260  18.230   2.306
  120   1HG   GLU  17          1HG       GLU  17   7.326  18.778   1.518
  121   2HG   GLU  17          2HG       GLU  17   7.009  17.750   0.131
  122    H    MET  18           H        MET  18   3.404  16.047   2.608
  123    HA   MET  18           HA       MET  18   5.429  14.118   3.473
  124   1HB   MET  18          1HB       MET  18   2.480  13.556   3.968
  125   2HB   MET  18          2HB       MET  18   3.186  15.003   4.663
  126   1HG   MET  18          1HG       MET  18   3.611  12.131   5.432
  127   2HG   MET  18          2HG       MET  18   5.087  13.109   5.432
  128   1HE   MET  18          1HE       MET  18   5.170  12.443   7.983
  129   2HE   MET  18          2HE       MET  18   4.130  13.162   9.247
  130   3HE   MET  18          3HE       MET  18   3.510  11.820   8.242
  131    H    ILE  19           H        ILE  19   2.412  13.669   1.603
  132    HA   ILE  19           HA       ILE  19   2.674  10.912   0.820
  133    HB   ILE  19           HB       ILE  19   1.459  13.175  -0.846
  134   1HG1  ILE  19          1HG1      ILE  19   0.187  13.072   1.212
  135   2HG1  ILE  19          2HG1      ILE  19  -0.763  12.237   0.002
  136   1HG2  ILE  19          1HG2      ILE  19   0.231  11.396  -2.111
  137   2HG2  ILE  19          2HG2      ILE  19   1.971  11.185  -2.297
  138   3HG2  ILE  19          3HG2      ILE  19   1.071  10.126  -1.187
  139   1HD1  ILE  19          1HD1      ILE  19   0.870  10.824   2.191
  140   2HD1  ILE  19          2HD1      ILE  19  -0.896  10.968   2.071
  141   3HD1  ILE  19          3HD1      ILE  19  -0.008   9.992   0.878
  142    H    ALA  20           H        ALA  20   4.061  13.858  -0.608
  143    HA   ALA  20           HA       ALA  20   5.228  12.899  -3.018
  144   1HB   ALA  20          1HB       ALA  20   6.910  14.831  -1.418
  145   2HB   ALA  20          2HB       ALA  20   6.378  14.907  -3.109
  146   3HB   ALA  20          3HB       ALA  20   5.245  15.329  -1.800
  147    H    GLU  21           H        GLU  21   6.593  12.816   0.276
  148    HA   GLU  21           HA       GLU  21   9.207  11.665  -0.475
  149   1HB   GLU  21          1HB       GLU  21   7.821  12.072   2.210
  150   2HB   GLU  21          2HB       GLU  21   9.141  12.988   1.511
  151   1HG   GLU  21          1HG       GLU  21   9.491  10.025   2.272
  152   2HG   GLU  21          2HG       GLU  21   9.655  11.304   3.462
  153    H    PHE  22           H        PHE  22   6.104  10.383   0.579
  154    HA   PHE  22           HA       PHE  22   6.846   7.682   1.337
  155   1HB   PHE  22          1HB       PHE  22   4.218   8.853   0.296
  156   2HB   PHE  22          2HB       PHE  22   4.360   7.137   0.573
  157    HD1  PHE  22           HD1      PHE  22   2.559   9.278   2.040
  158    HD2  PHE  22           HD2      PHE  22   6.352   7.532   3.085
  159    HE1  PHE  22           HE1      PHE  22   2.033   9.538   4.428
  160    HE2  PHE  22           HE2      PHE  22   5.801   7.788   5.469
  161    HZ   PHE  22           HZ       PHE  22   3.666   8.835   6.145
  162    H    LYS  23           H        LYS  23   5.575   8.912  -1.771
  163    HA   LYS  23           HA       LYS  23   5.604   6.505  -3.331
  164   1HB   LYS  23          1HB       LYS  23   4.995   9.166  -3.881
  165   2HB   LYS  23          2HB       LYS  23   4.902   7.836  -5.015
  166   1HG   LYS  23          1HG       LYS  23   7.491   9.446  -4.679
  167   2HG   LYS  23          2HG       LYS  23   7.053   8.390  -6.008
  168   1HD   LYS  23          1HD       LYS  23   4.981  10.287  -6.129
  169   2HD   LYS  23          2HD       LYS  23   6.304  11.248  -5.489
  170   1HE   LYS  23          1HE       LYS  23   6.207  11.383  -7.983
  171   2HE   LYS  23          2HE       LYS  23   7.756  10.742  -7.432
  172   1HZ   LYS  23          1HZ       LYS  23   6.359   9.582  -9.324
  173   2HZ   LYS  23          2HZ       LYS  23   7.271   8.681  -8.282
  174   3HZ   LYS  23          3HZ       LYS  23   5.638   8.800  -8.061
  175    H    ALA  24           H        ALA  24   8.212   8.731  -2.503
  176    HA   ALA  24           HA       ALA  24  10.425   7.975  -4.105
  177   1HB   ALA  24          1HB       ALA  24  11.892   8.496  -2.167
  178   2HB   ALA  24          2HB       ALA  24  10.593   9.693  -2.329
  179   3HB   ALA  24          3HB       ALA  24  10.500   8.446  -1.059
  180    H    ALA  25           H        ALA  25   9.829   6.487  -0.906
  181    HA   ALA  25           HA       ALA  25  11.656   4.267  -1.176
  182   1HB   ALA  25          1HB       ALA  25  10.512   3.287   0.805
  183   2HB   ALA  25          2HB       ALA  25  10.792   5.025   1.021
  184   3HB   ALA  25          3HB       ALA  25   9.159   4.429   0.629
  185    H    PHE  26           H        PHE  26   8.304   4.637  -2.157
  186    HA   PHE  26           HA       PHE  26   7.510   1.882  -2.567
  187   1HB   PHE  26          1HB       PHE  26   6.044   4.027  -2.640
  188   2HB   PHE  26          2HB       PHE  26   6.540   4.227  -4.300
  189    HD1  PHE  26           HD1      PHE  26   4.286   2.465  -2.029
  190    HD2  PHE  26           HD2      PHE  26   6.013   2.222  -5.962
  191    HE1  PHE  26           HE1      PHE  26   2.365   1.134  -2.802
  192    HE2  PHE  26           HE2      PHE  26   4.084   0.891  -6.717
  193    HZ   PHE  26           HZ       PHE  26   2.272   0.324  -5.136
  194    H    ASP  27           H        ASP  27   9.176   4.202  -4.673
  195    HA   ASP  27           HA       ASP  27   9.172   2.584  -7.136
  196   1HB   ASP  27          1HB       ASP  27   9.622   5.205  -6.774
  197   2HB   ASP  27          2HB       ASP  27  11.296   4.707  -6.673
  198    H    MET  28           H        MET  28  11.055   2.486  -4.248
  199    HA   MET  28           HA       MET  28  13.617   1.482  -5.141
  200   1HB   MET  28          1HB       MET  28  13.757   0.278  -2.869
  201   2HB   MET  28          2HB       MET  28  12.128   0.841  -2.539
  202   1HG   MET  28          1HG       MET  28  14.421   2.793  -3.200
  203   2HG   MET  28          2HG       MET  28  12.823   3.195  -2.553
  204   1HE   MET  28          1HE       MET  28  16.523   1.471  -1.154
  205   2HE   MET  28          2HE       MET  28  16.182   2.990  -2.035
  206   3HE   MET  28          3HE       MET  28  16.412   3.022  -0.262
  207    H    PHE  29           H        PHE  29  10.543  -0.194  -4.558
  208    HA   PHE  29           HA       PHE  29  11.745  -2.851  -5.537
  209   1HB   PHE  29          1HB       PHE  29   9.775  -3.970  -4.404
  210   2HB   PHE  29          2HB       PHE  29   9.225  -2.424  -3.821
  211    HD1  PHE  29           HD1      PHE  29  10.681  -1.087  -2.148
  212    HD2  PHE  29           HD2      PHE  29  11.518  -5.188  -3.154
  213    HE1  PHE  29           HE1      PHE  29  11.966  -1.348  -0.066
  214    HE2  PHE  29           HE2      PHE  29  12.820  -5.419  -1.080
  215    HZ   PHE  29           HZ       PHE  29  13.038  -3.509   0.470
  216    H    ASP  30           H        ASP  30  10.911  -0.641  -7.204
  217    HA   ASP  30           HA       ASP  30   8.721  -2.014  -8.828
  218   1HB   ASP  30          1HB       ASP  30   8.787   1.025  -8.371
  219   2HB   ASP  30          2HB       ASP  30   7.678  -0.083  -7.596
  220    H    ALA  31           H        ALA  31  10.626  -2.857  -9.863
  221    HA   ALA  31           HA       ALA  31  12.778  -1.344 -11.106
  222   1HB   ALA  31          1HB       ALA  31  13.185  -3.398 -12.468
  223   2HB   ALA  31          2HB       ALA  31  12.914  -3.787 -10.758
  224   3HB   ALA  31          3HB       ALA  31  11.626  -4.083 -11.954
  225    H    ASP  32           H        ASP  32   9.716  -2.580 -12.464
  226    HA   ASP  32           HA       ASP  32   9.385  -0.256 -14.325
  227   1HB   ASP  32          1HB       ASP  32   9.184  -1.992 -16.362
  228   2HB   ASP  32          2HB       ASP  32  10.316  -2.934 -15.420
  229    H    GLY  33           H        GLY  33   7.310   0.141 -14.424
  230   1HA   GLY  33          1HA       GLY  33   5.200  -1.640 -13.323
  231   2HA   GLY  33          2HA       GLY  33   5.136  -1.639 -15.088
  232    H    GLY  34           H        GLY  34   5.218   0.555 -12.284
  233   1HA   GLY  34          1HA       GLY  34   4.438   3.071 -13.498
  234   2HA   GLY  34          2HA       GLY  34   2.934   2.183 -13.232
  235    H    GLY  35           H        GLY  35   2.375   1.510 -11.105
  236   1HA   GLY  35          1HA       GLY  35   3.872   2.635  -8.710
  237   2HA   GLY  35          2HA       GLY  35   2.282   3.343  -9.011
  238    H    ASP  36           H        ASP  36   3.752   0.091  -8.954
  239    HA   ASP  36           HA       ASP  36   1.830  -0.923  -6.880
  240   1HB   ASP  36          1HB       ASP  36   0.947  -2.819  -8.295
  241   2HB   ASP  36          2HB       ASP  36   0.309  -1.237  -8.679
  242    H    ILE  37           H        ILE  37   2.399  -3.038  -6.157
  243    HA   ILE  37           HA       ILE  37   5.002  -4.307  -7.086
  244    HB   ILE  37           HB       ILE  37   5.779  -4.394  -4.611
  245   1HG1  ILE  37          1HG1      ILE  37   3.971  -1.893  -4.436
  246   2HG1  ILE  37          2HG1      ILE  37   3.816  -3.355  -3.485
  247   1HG2  ILE  37          1HG2      ILE  37   7.203  -2.368  -4.948
  248   2HG2  ILE  37          2HG2      ILE  37   7.014  -3.241  -6.475
  249   3HG2  ILE  37          3HG2      ILE  37   6.090  -1.747  -6.190
  250   1HD1  ILE  37          1HD1      ILE  37   6.160  -1.380  -3.247
  251   2HD1  ILE  37          2HD1      ILE  37   4.841  -1.651  -2.087
  252   3HD1  ILE  37          3HD1      ILE  37   6.043  -2.931  -2.371
  253    H    SER  38           H        SER  38   5.344  -6.295  -5.556
  254    HA   SER  38           HA       SER  38   2.975  -8.059  -5.656
  255   1HB   SER  38          1HB       SER  38   5.372  -8.793  -3.956
  256   2HB   SER  38          2HB       SER  38   5.612  -8.590  -5.693
  257    HG   SER  38           HG       SER  38   3.677 -10.238  -4.425
  258    H    THR  39           H        THR  39   2.048  -9.134  -3.810
  259    HA   THR  39           HA       THR  39   1.301  -7.243  -1.598
  260    HB   THR  39           HB       THR  39  -0.365  -8.735  -2.848
  261    HG1  THR  39           HG1      THR  39  -1.392  -9.219  -0.719
  262   1HG2  THR  39          1HG2      THR  39  -0.851 -10.976  -1.970
  263   2HG2  THR  39          2HG2      THR  39   0.805 -10.967  -2.619
  264   3HG2  THR  39          3HG2      THR  39   0.535 -10.909  -0.857
  265    H    LYS  40           H        LYS  40   3.225 -10.143  -2.093
  266    HA   LYS  40           HA       LYS  40   3.656 -10.895   0.720
  267   1HB   LYS  40          1HB       LYS  40   5.022 -11.592  -1.907
  268   2HB   LYS  40          2HB       LYS  40   5.878 -11.955  -0.423
  269   1HG   LYS  40          1HG       LYS  40   4.775 -13.965  -0.816
  270   2HG   LYS  40          2HG       LYS  40   3.669 -13.209   0.314
  271   1HD   LYS  40          1HD       LYS  40   2.332 -14.215  -1.465
  272   2HD   LYS  40          2HD       LYS  40   2.207 -12.468  -1.598
  273   1HE   LYS  40          1HE       LYS  40   3.546 -12.341  -3.570
  274   2HE   LYS  40          2HE       LYS  40   2.534 -13.762  -3.832
  275   1HZ   LYS  40          1HZ       LYS  40   4.642 -14.501  -4.373
  276   2HZ   LYS  40          2HZ       LYS  40   5.414 -13.645  -3.190
  277   3HZ   LYS  40          3HZ       LYS  40   4.565 -15.009  -2.803
  278    H    GLU  41           H        GLU  41   5.213  -8.680  -1.532
  279    HA   GLU  41           HA       GLU  41   7.613  -8.156   0.203
  280   1HB   GLU  41          1HB       GLU  41   8.018  -6.304  -1.623
  281   2HB   GLU  41          2HB       GLU  41   6.721  -7.084  -2.507
  282   1HG   GLU  41          1HG       GLU  41   8.001  -9.229  -2.600
  283   2HG   GLU  41          2HG       GLU  41   9.255  -8.570  -1.563
  284    H    LEU  42           H        LEU  42   4.569  -6.600  -0.686
  285    HA   LEU  42           HA       LEU  42   4.681  -3.968   0.144
  286   1HB   LEU  42          1HB       LEU  42   2.534  -6.020   0.139
  287   2HB   LEU  42          2HB       LEU  42   2.540  -4.387  -0.494
  288    HG   LEU  42           HG       LEU  42   2.250  -4.922   2.519
  289   1HD1  LEU  42          1HD1      LEU  42  -0.102  -4.620   0.548
  290   2HD1  LEU  42          2HD1      LEU  42   0.436  -6.174   1.202
  291   3HD1  LEU  42          3HD1      LEU  42  -0.196  -4.923   2.302
  292   1HD2  LEU  42          1HD2      LEU  42   1.253  -2.666   2.614
  293   2HD2  LEU  42          2HD2      LEU  42   2.810  -2.547   1.756
  294   3HD2  LEU  42          3HD2      LEU  42   1.294  -2.517   0.837
  295    H    GLY  43           H        GLY  43   4.176  -6.734   2.353
  296   1HA   GLY  43          1HA       GLY  43   4.116  -5.546   4.962
  297   2HA   GLY  43          2HA       GLY  43   4.912  -7.088   4.627
  298    H    THR  44           H        THR  44   7.094  -6.871   3.499
  299    HA   THR  44           HA       THR  44   9.104  -5.897   5.114
  300    HB   THR  44           HB       THR  44   9.084  -6.364   2.134
  301    HG1  THR  44           HG1      THR  44   9.425  -8.152   3.108
  302   1HG2  THR  44          1HG2      THR  44  11.554  -6.007   1.988
  303   2HG2  THR  44          2HG2      THR  44  10.700  -4.475   2.272
  304   3HG2  THR  44          3HG2      THR  44  11.559  -5.277   3.612
  305    H    VAL  45           H        VAL  45   7.520  -4.046   2.527
  306    HA   VAL  45           HA       VAL  45   9.192  -1.703   2.414
  307    HB   VAL  45           HB       VAL  45   6.160  -1.706   1.982
  308   1HG1  VAL  45          1HG1      VAL  45   8.322  -2.168  -0.168
  309   2HG1  VAL  45          2HG1      VAL  45   7.409  -3.479   0.589
  310   3HG1  VAL  45          3HG1      VAL  45   6.551  -2.249  -0.366
  311   1HG2  VAL  45          1HG2      VAL  45   6.459   0.248   0.550
  312   2HG2  VAL  45          2HG2      VAL  45   7.274   0.625   2.085
  313   3HG2  VAL  45          3HG2      VAL  45   8.236   0.164   0.673
  314    H    MET  46           H        MET  46   6.244  -2.273   4.369
  315    HA   MET  46           HA       MET  46   6.124   0.248   5.771
  316   1HB   MET  46          1HB       MET  46   5.092  -1.539   7.662
  317   2HB   MET  46          2HB       MET  46   4.914  -2.451   6.174
  318   1HG   MET  46          1HG       MET  46   3.939   0.446   6.194
  319   2HG   MET  46          2HG       MET  46   3.363  -0.925   5.232
  320   1HE   MET  46          1HE       MET  46   2.614  -3.140   6.349
  321   2HE   MET  46          2HE       MET  46   1.496  -3.187   7.744
  322   3HE   MET  46          3HE       MET  46   0.973  -2.434   6.210
  323    NH1  ARG  47           NH1      ARG  47  12.721  -7.287  10.396
  324    NH2  ARG  47           NH2      ARG  47  13.422  -7.132   8.240
  325    H    ARG  47           H        ARG  47   7.993  -2.675   6.402
  326    HA   ARG  47           HA       ARG  47   8.888  -2.041   9.149
  327   1HB   ARG  47          1HB       ARG  47   8.877  -4.367   7.913
  328   2HB   ARG  47          2HB       ARG  47  10.403  -3.855   7.207
  329   1HG   ARG  47          1HG       ARG  47  11.592  -3.935   9.227
  330   2HG   ARG  47          2HG       ARG  47  10.172  -3.619  10.226
  331   1HD   ARG  47          1HD       ARG  47  10.560  -5.912  10.672
  332   2HD   ARG  47          2HD       ARG  47   9.304  -5.997   9.439
  333    HE   ARG  47           HE       ARG  47  10.999  -6.729   7.778
  334   1HH1  ARG  47          1HH1      ARG  47  13.663  -7.642  10.594
  335   2HH1  ARG  47          2HH1      ARG  47  11.967  -7.135  11.074
  336   1HH2  ARG  47          1HH2      ARG  47  13.203  -6.864   7.274
  337   2HH2  ARG  47          2HH2      ARG  47  14.315  -7.497   8.589
  338    H    MET  48           H        MET  48  10.184  -1.463   5.906
  339    HA   MET  48           HA       MET  48  12.704  -0.138   6.918
  340   1HB   MET  48          1HB       MET  48  12.466  -1.612   4.738
  341   2HB   MET  48          2HB       MET  48  11.798  -0.168   3.998
  342   1HG   MET  48          1HG       MET  48  13.906   0.578   3.561
  343   2HG   MET  48          2HG       MET  48  14.235   0.688   5.298
  344   1HE   MET  48          1HE       MET  48  16.253  -2.233   6.316
  345   2HE   MET  48          2HE       MET  48  15.095  -0.948   6.769
  346   3HE   MET  48          3HE       MET  48  14.503  -2.599   6.423
  347    H    LEU  49           H        LEU  49   9.728   0.868   7.196
  348    HA   LEU  49           HA       LEU  49  10.192   3.739   6.224
  349   1HB   LEU  49          1HB       LEU  49   7.627   3.915   6.745
  350   2HB   LEU  49          2HB       LEU  49   7.628   2.166   6.815
  351    HG   LEU  49           HG       LEU  49   8.747   2.305   4.386
  352   1HD1  LEU  49          1HD1      LEU  49   6.478   2.213   3.347
  353   2HD1  LEU  49          2HD1      LEU  49   6.510   1.286   4.858
  354   3HD1  LEU  49          3HD1      LEU  49   5.743   2.893   4.822
  355   1HD2  LEU  49          1HD2      LEU  49   7.326   5.050   4.521
  356   2HD2  LEU  49          2HD2      LEU  49   9.072   4.782   4.297
  357   3HD2  LEU  49          3HD2      LEU  49   7.936   4.267   3.041
  358    H    GLY  50           H        GLY  50   9.390   1.628   8.937
  359   1HA   GLY  50          1HA       GLY  50  10.800   2.679  11.051
  360   2HA   GLY  50          2HA       GLY  50   9.545   3.918  10.942
  361    H    GLN  51           H        GLN  51   9.439   0.372  10.584
  362    HA   GLN  51           HA       GLN  51   7.837   0.056  13.154
  363   1HB   GLN  51          1HB       GLN  51   6.765  -1.274  10.613
  364   2HB   GLN  51          2HB       GLN  51   6.017  -1.155  12.196
  365   1HG   GLN  51          1HG       GLN  51   6.139   1.513  11.681
  366   2HG   GLN  51          2HG       GLN  51   6.199   0.962  10.019
  367   1HE2  GLN  51          1HE2      GLN  51   2.568   1.418  11.207
  368   2HE2  GLN  51          2HE2      GLN  51   4.074   2.466  11.225
  369    H    ASN  52           H        ASN  52   7.247  -2.602  12.901
  370    HA   ASN  52           HA       ASN  52   9.644  -4.141  11.974
  371   1HB   ASN  52          1HB       ASN  52  10.000  -3.153  14.419
  372   2HB   ASN  52          2HB       ASN  52   8.989  -4.485  14.935
  373   1HD2  ASN  52          1HD2      ASN  52  12.646  -5.531  14.988
  374   2HD2  ASN  52          2HD2      ASN  52  11.572  -4.291  15.810
  375    HA   PRO  53           HA       PRO  53   4.938  -6.094  12.149
  376   1HB   PRO  53          1HB       PRO  53   4.443  -6.426   9.724
  377   2HB   PRO  53          2HB       PRO  53   6.193  -6.283   9.353
  378   1HG   PRO  53          1HG       PRO  53   4.441  -4.014  10.477
  379   2HG   PRO  53          2HG       PRO  53   5.355  -4.017   8.935
  380   1HD   PRO  53          1HD       PRO  53   7.470  -3.915  10.065
  381   2HD   PRO  53          2HD       PRO  53   6.446  -3.037  11.244
  382    H    THR  54           H        THR  54   4.672  -8.271  12.406
  383    HA   THR  54           HA       THR  54   7.115 -10.072  12.457
  384    HB   THR  54           HB       THR  54   6.218 -11.130  14.177
  385    HG1  THR  54           HG1      THR  54   4.105 -12.023  14.056
  386   1HG2  THR  54          1HG2      THR  54   4.291 -10.215  15.429
  387   2HG2  THR  54          2HG2      THR  54   5.320  -8.883  14.855
  388   3HG2  THR  54          3HG2      THR  54   3.784  -9.243  14.027
  389    H    LYS  55           H        LYS  55   6.689 -12.357  11.672
  390    HA   LYS  55           HA       LYS  55   6.093 -12.187   8.739
  391   1HB   LYS  55          1HB       LYS  55   7.977 -13.514   9.065
  392   2HB   LYS  55          2HB       LYS  55   6.737 -14.730   8.844
  393   1HG   LYS  55          1HG       LYS  55   8.364 -14.042  11.283
  394   2HG   LYS  55          2HG       LYS  55   6.697 -14.470  11.616
  395   1HD   LYS  55          1HD       LYS  55   8.264 -16.446  11.766
  396   2HD   LYS  55          2HD       LYS  55   6.945 -16.677  10.629
  397   1HE   LYS  55          1HE       LYS  55   9.465 -15.567   9.396
  398   2HE   LYS  55          2HE       LYS  55   9.596 -17.214  10.017
  399   1HZ   LYS  55          1HZ       LYS  55   8.699 -16.684   7.603
  400   2HZ   LYS  55          2HZ       LYS  55   8.128 -17.981   8.453
  401   3HZ   LYS  55          3HZ       LYS  55   7.241 -16.589   8.374
  402    H    GLU  56           H        GLU  56   4.709 -13.618  11.651
  403    HA   GLU  56           HA       GLU  56   2.626 -15.262  10.350
  404   1HB   GLU  56          1HB       GLU  56   1.725 -15.689  12.522
  405   2HB   GLU  56          2HB       GLU  56   2.429 -14.243  13.217
  406   1HG   GLU  56          1HG       GLU  56   4.765 -15.495  12.511
  407   2HG   GLU  56          2HG       GLU  56   3.743 -16.918  12.615
  408    H    GLU  57           H        GLU  57   2.828 -11.968  11.606
  409    HA   GLU  57           HA       GLU  57  -0.089 -11.348  11.365
  410   1HB   GLU  57          1HB       GLU  57   2.175  -9.316  11.706
  411   2HB   GLU  57          2HB       GLU  57   0.467  -9.071  12.014
  412   1HG   GLU  57          1HG       GLU  57   2.476 -10.695  13.667
  413   2HG   GLU  57          2HG       GLU  57   0.758 -11.017  13.829
  414    H    LEU  58           H        LEU  58   2.840 -10.980   9.445
  415    HA   LEU  58           HA       LEU  58   1.859  -9.206   7.340
  416   1HB   LEU  58          1HB       LEU  58   4.257  -9.655   7.579
  417   2HB   LEU  58          2HB       LEU  58   4.038 -11.367   7.292
  418    HG   LEU  58           HG       LEU  58   4.933  -9.699   5.378
  419   1HD1  LEU  58          1HD1      LEU  58   4.160 -11.343   3.637
  420   2HD1  LEU  58          2HD1      LEU  58   4.754 -12.167   5.086
  421   3HD1  LEU  58          3HD1      LEU  58   3.001 -12.041   4.797
  422   1HD2  LEU  58          1HD2      LEU  58   1.881  -9.591   4.882
  423   2HD2  LEU  58          2HD2      LEU  58   2.915  -8.209   5.322
  424   3HD2  LEU  58          3HD2      LEU  58   3.147  -9.023   3.764
  425    H    ASP  59           H        ASP  59   1.602 -12.670   7.914
  426    HA   ASP  59           HA       ASP  59   0.495 -13.524   5.353
  427   1HB   ASP  59          1HB       ASP  59   0.288 -14.775   8.140
  428   2HB   ASP  59          2HB       ASP  59  -0.538 -15.468   6.763
  429    H    ALA  60           H        ALA  60  -1.011 -12.311   8.335
  430    HA   ALA  60           HA       ALA  60  -3.842 -12.624   7.618
  431   1HB   ALA  60          1HB       ALA  60  -4.278 -10.943   9.403
  432   2HB   ALA  60          2HB       ALA  60  -3.130 -12.181   9.947
  433   3HB   ALA  60          3HB       ALA  60  -2.544 -10.556   9.507
  434    H    ILE  61           H        ILE  61  -1.571  -9.876   7.314
  435    HA   ILE  61           HA       ILE  61  -3.195  -7.910   6.090
  436    HB   ILE  61           HB       ILE  61  -0.514  -8.028   6.700
  437   1HG1  ILE  61          1HG1      ILE  61  -1.349  -5.732   4.887
  438   2HG1  ILE  61          2HG1      ILE  61  -2.338  -6.002   6.305
  439   1HG2  ILE  61          1HG2      ILE  61   0.815  -7.468   4.648
  440   2HG2  ILE  61          2HG2      ILE  61   0.130  -9.087   4.523
  441   3HG2  ILE  61          3HG2      ILE  61  -0.615  -7.745   3.624
  442   1HD1  ILE  61          1HD1      ILE  61   0.679  -5.415   6.396
  443   2HD1  ILE  61          2HD1      ILE  61  -0.655  -4.338   6.864
  444   3HD1  ILE  61          3HD1      ILE  61  -0.328  -5.804   7.818
  445    H    ILE  62           H        ILE  62  -1.641 -10.774   4.744
  446    HA   ILE  62           HA       ILE  62  -2.036 -10.148   1.867
  447    HB   ILE  62           HB       ILE  62  -1.235 -12.702   3.329
  448   1HG1  ILE  62          1HG1      ILE  62   0.855 -11.811   3.131
  449   2HG1  ILE  62          2HG1      ILE  62   0.735 -12.078   1.405
  450   1HG2  ILE  62          1HG2      ILE  62  -0.901 -13.837   1.118
  451   2HG2  ILE  62          2HG2      ILE  62  -2.600 -13.432   1.349
  452   3HG2  ILE  62          3HG2      ILE  62  -1.599 -12.435   0.270
  453   1HD1  ILE  62          1HD1      ILE  62   0.051  -9.419   2.792
  454   2HD1  ILE  62          2HD1      ILE  62   1.453  -9.784   1.765
  455   3HD1  ILE  62          3HD1      ILE  62  -0.176  -9.749   1.052
  456    H    GLU  63           H        GLU  63  -3.802 -11.927   4.359
  457    HA   GLU  63           HA       GLU  63  -5.822 -13.164   2.626
  458   1HB   GLU  63          1HB       GLU  63  -5.517 -12.794   5.597
  459   2HB   GLU  63          2HB       GLU  63  -5.679 -14.259   4.649
  460   1HG   GLU  63          1HG       GLU  63  -7.901 -12.366   5.600
  461   2HG   GLU  63          2HG       GLU  63  -8.196 -13.456   4.255
  462    H    GLU  64           H        GLU  64  -5.551 -10.033   4.196
  463    HA   GLU  64           HA       GLU  64  -8.406  -9.246   3.863
  464   1HB   GLU  64          1HB       GLU  64  -6.128  -7.321   4.516
  465   2HB   GLU  64          2HB       GLU  64  -6.731  -8.462   5.701
  466   1HG   GLU  64          1HG       GLU  64  -9.135  -7.339   5.013
  467   2HG   GLU  64          2HG       GLU  64  -8.104  -6.707   6.285
  468    H    VAL  65           H        VAL  65  -5.323  -8.480   2.263
  469    HA   VAL  65           HA       VAL  65  -6.455  -6.434   0.421
  470    HB   VAL  65           HB       VAL  65  -4.158  -6.176   1.120
  471   1HG1  VAL  65          1HG1      VAL  65  -2.297  -7.705   0.442
  472   2HG1  VAL  65          2HG1      VAL  65  -3.476  -8.557   1.457
  473   3HG1  VAL  65          3HG1      VAL  65  -3.457  -8.834  -0.301
  474   1HG2  VAL  65          1HG2      VAL  65  -4.222  -6.787  -1.916
  475   2HG2  VAL  65          2HG2      VAL  65  -4.661  -5.245  -1.143
  476   3HG2  VAL  65          3HG2      VAL  65  -2.988  -5.817  -1.075
  477    H    ASP  66           H        ASP  66  -5.805  -9.892   0.366
  478    HA   ASP  66           HA       ASP  66  -6.364 -10.119  -2.613
  479   1HB   ASP  66          1HB       ASP  66  -4.363 -11.324  -1.496
  480   2HB   ASP  66          2HB       ASP  66  -5.521 -12.405  -0.756
  481    H    GLU  67           H        GLU  67  -8.475  -9.259  -1.116
  482    HA   GLU  67           HA       GLU  67 -10.407 -11.444  -0.446
  483   1HB   GLU  67          1HB       GLU  67 -10.469  -8.459  -0.445
  484   2HB   GLU  67          2HB       GLU  67 -11.992  -9.205  -0.885
  485   1HG   GLU  67          1HG       GLU  67 -10.492 -10.078   1.655
  486   2HG   GLU  67          2HG       GLU  67 -11.506  -8.645   1.647
  487    H    ASP  68           H        ASP  68  -9.588  -9.402  -3.203
  488    HA   ASP  68           HA       ASP  68 -10.659 -11.396  -5.156
  489   1HB   ASP  68          1HB       ASP  68 -12.181  -8.772  -4.770
  490   2HB   ASP  68          2HB       ASP  68 -12.150  -9.576  -6.323
  491    H    GLY  69           H        GLY  69  -8.495 -11.369  -5.766
  492   1HA   GLY  69          1HA       GLY  69  -7.721  -9.560  -7.975
  493   2HA   GLY  69          2HA       GLY  69  -6.891  -9.055  -6.499
  494    H    SER  70           H        SER  70  -5.228  -9.758  -8.297
  495    HA   SER  70           HA       SER  70  -4.436 -12.697  -8.018
  496   1HB   SER  70          1HB       SER  70  -3.042 -10.741  -9.892
  497   2HB   SER  70          2HB       SER  70  -3.166 -12.499  -9.998
  498    HG   SER  70           HG       SER  70  -5.005 -10.514 -10.642
  499    H    GLY  71           H        GLY  71  -4.214 -10.753  -5.851
  500   1HA   GLY  71          1HA       GLY  71  -2.633 -10.370  -4.036
  501   2HA   GLY  71          2HA       GLY  71  -1.462 -11.340  -4.935
  502    H    THR  72           H        THR  72  -3.173  -8.280  -5.610
  503    HA   THR  72           HA       THR  72  -0.497  -6.966  -6.262
  504    HB   THR  72           HB       THR  72  -1.657  -5.489  -7.893
  505    HG1  THR  72           HG1      THR  72  -3.761  -6.328  -6.771
  506   1HG2  THR  72          1HG2      THR  72  -2.307  -7.379  -9.646
  507   2HG2  THR  72          2HG2      THR  72  -0.608  -7.181  -9.163
  508   3HG2  THR  72          3HG2      THR  72  -1.590  -8.493  -8.461
  509    H    ILE  73           H        ILE  73  -0.328  -4.712  -5.800
  510    HA   ILE  73           HA       ILE  73  -2.273  -3.533  -3.848
  511    HB   ILE  73           HB       ILE  73  -0.578  -4.992  -2.554
  512   1HG1  ILE  73          1HG1      ILE  73  -1.216  -3.883  -0.666
  513   2HG1  ILE  73          2HG1      ILE  73  -2.219  -2.994  -1.798
  514   1HG2  ILE  73          1HG2      ILE  73   1.559  -4.001  -1.822
  515   2HG2  ILE  73          2HG2      ILE  73   1.569  -4.142  -3.585
  516   3HG2  ILE  73          3HG2      ILE  73   1.298  -2.555  -2.825
  517   1HD1  ILE  73          1HD1      ILE  73  -0.163  -1.277  -1.941
  518   2HD1  ILE  73          2HD1      ILE  73  -1.292  -1.235  -0.570
  519   3HD1  ILE  73          3HD1      ILE  73   0.295  -2.019  -0.384
  520    H    ASP  74           H        ASP  74  -2.050  -1.287  -3.598
  521    HA   ASP  74           HA       ASP  74  -0.328   0.114  -5.711
  522   1HB   ASP  74          1HB       ASP  74  -2.400   1.745  -5.919
  523   2HB   ASP  74          2HB       ASP  74  -2.296   0.282  -6.871
  524    H    PHE  75           H        PHE  75  -0.609   2.615  -5.284
  525    HA   PHE  75           HA       PHE  75   0.775   3.085  -2.703
  526   1HB   PHE  75          1HB       PHE  75  -0.147   5.152  -4.786
  527   2HB   PHE  75          2HB       PHE  75   1.343   4.252  -4.895
  528    HD1  PHE  75           HD1      PHE  75   3.170   4.651  -3.080
  529    HD2  PHE  75           HD2      PHE  75  -0.395   7.057  -3.244
  530    HE1  PHE  75           HE1      PHE  75   4.342   6.486  -1.934
  531    HE2  PHE  75           HE2      PHE  75   0.800   8.885  -2.105
  532    HZ   PHE  75           HZ       PHE  75   3.154   8.592  -1.420
  533    H    GLU  76           H        GLU  76  -2.476   3.475  -3.955
  534    HA   GLU  76           HA       GLU  76  -3.588   5.331  -1.995
  535   1HB   GLU  76          1HB       GLU  76  -4.923   3.217  -3.750
  536   2HB   GLU  76          2HB       GLU  76  -5.843   4.193  -2.623
  537   1HG   GLU  76          1HG       GLU  76  -4.300   5.140  -5.106
  538   2HG   GLU  76          2HG       GLU  76  -6.026   5.237  -4.802
  539    H    GLU  77           H        GLU  77  -4.213   1.820  -2.196
  540    HA   GLU  77           HA       GLU  77  -5.110   1.324   0.507
  541   1HB   GLU  77          1HB       GLU  77  -3.609  -0.577  -1.367
  542   2HB   GLU  77          2HB       GLU  77  -4.291  -1.065   0.171
  543   1HG   GLU  77          1HG       GLU  77  -6.547   0.070  -0.975
  544   2HG   GLU  77          2HG       GLU  77  -5.690  -0.402  -2.433
  545    H    PHE  78           H        PHE  78  -1.890   1.706  -0.851
  546    HA   PHE  78           HA       PHE  78  -0.260   0.604   1.277
  547   1HB   PHE  78          1HB       PHE  78   0.285   2.642  -0.922
  548   2HB   PHE  78          2HB       PHE  78   0.847   0.997  -0.788
  549    HD1  PHE  78           HD1      PHE  78   1.710   1.480   2.338
  550    HD2  PHE  78           HD2      PHE  78   2.515   3.579  -1.330
  551    HE1  PHE  78           HE1      PHE  78   3.961   2.055   3.149
  552    HE2  PHE  78           HE2      PHE  78   4.763   4.145  -0.502
  553    HZ   PHE  78           HZ       PHE  78   5.510   3.338   1.711
  554    H    LEU  79           H        LEU  79  -1.578   3.861   0.756
  555    HA   LEU  79           HA       LEU  79  -0.360   5.158   3.143
  556   1HB   LEU  79          1HB       LEU  79  -2.799   6.005   1.467
  557   2HB   LEU  79          2HB       LEU  79  -2.066   6.977   2.725
  558    HG   LEU  79           HG       LEU  79  -0.374   6.038   0.347
  559   1HD1  LEU  79          1HD1      LEU  79  -0.168   8.587   2.073
  560   2HD1  LEU  79          2HD1      LEU  79   0.761   7.105   2.368
  561   3HD1  LEU  79          3HD1      LEU  79   1.006   8.019   0.859
  562   1HD2  LEU  79          1HD2      LEU  79  -0.979   8.030  -0.959
  563   2HD2  LEU  79          2HD2      LEU  79  -2.495   7.192  -0.545
  564   3HD2  LEU  79          3HD2      LEU  79  -2.023   8.646   0.347
  565    H    VAL  80           H        VAL  80  -3.255   3.307   2.423
  566    HA   VAL  80           HA       VAL  80  -4.878   4.023   4.749
  567    HB   VAL  80           HB       VAL  80  -5.020   1.483   3.046
  568   1HG1  VAL  80          1HG1      VAL  80  -7.346   1.202   3.928
  569   2HG1  VAL  80          2HG1      VAL  80  -6.161   1.085   5.236
  570   3HG1  VAL  80          3HG1      VAL  80  -7.111   2.575   5.040
  571   1HG2  VAL  80          1HG2      VAL  80  -6.744   4.041   2.867
  572   2HG2  VAL  80          2HG2      VAL  80  -5.493   3.563   1.696
  573   3HG2  VAL  80          3HG2      VAL  80  -6.941   2.564   1.892
  574    H    MET  81           H        MET  81  -2.362   1.629   4.152
  575    HA   MET  81           HA       MET  81  -2.746  -0.001   6.585
  576   1HB   MET  81          1HB       MET  81  -0.140   0.181   4.975
  577   2HB   MET  81          2HB       MET  81  -0.669  -1.123   6.023
  578   1HG   MET  81          1HG       MET  81  -2.618  -0.598   3.811
  579   2HG   MET  81          2HG       MET  81  -0.999  -1.027   3.236
  580   1HE   MET  81          1HE       MET  81  -3.958  -3.662   5.638
  581   2HE   MET  81          2HE       MET  81  -3.163  -2.364   6.577
  582   3HE   MET  81          3HE       MET  81  -4.154  -1.950   5.148
  583    H    MET  82           H        MET  82  -0.572   2.672   5.694
  584    HA   MET  82           HA       MET  82   1.073   2.639   8.135
  585   1HB   MET  82          1HB       MET  82   0.759   4.543   5.799
  586   2HB   MET  82          2HB       MET  82   1.452   5.200   7.270
  587   1HG   MET  82          1HG       MET  82   2.603   2.610   6.095
  588   2HG   MET  82          2HG       MET  82   3.380   3.775   7.179
  589   1HE   MET  82          1HE       MET  82   5.707   4.613   4.387
  590   2HE   MET  82          2HE       MET  82   5.345   5.538   5.874
  591   3HE   MET  82          3HE       MET  82   5.381   3.751   5.924
  592    H    VAL  83           H        VAL  83  -1.813   4.441   7.134
  593    HA   VAL  83           HA       VAL  83  -2.000   6.163   9.537
  594    HB   VAL  83           HB       VAL  83  -4.313   5.501   7.650
  595   1HG1  VAL  83          1HG1      VAL  83  -5.169   7.758   8.299
  596   2HG1  VAL  83          2HG1      VAL  83  -5.007   6.721   9.723
  597   3HG1  VAL  83          3HG1      VAL  83  -3.794   7.985   9.411
  598   1HG2  VAL  83          1HG2      VAL  83  -2.216   7.742   7.277
  599   2HG2  VAL  83          2HG2      VAL  83  -2.415   6.320   6.226
  600   3HG2  VAL  83          3HG2      VAL  83  -3.703   7.529   6.317
  601    NH1  ARG  84           NH1      ARG  84  -8.271  -2.051   8.455
  602    NH2  ARG  84           NH2      ARG  84  -8.077  -0.622   6.700
  603    H    ARG  84           H        ARG  84  -3.179   2.989   8.573
  604    HA   ARG  84           HA       ARG  84  -5.136   2.416  10.649
  605   1HB   ARG  84          1HB       ARG  84  -3.297   0.202   9.648
  606   2HB   ARG  84          2HB       ARG  84  -4.335   1.029   8.494
  607   1HG   ARG  84          1HG       ARG  84  -5.393  -0.306  11.058
  608   2HG   ARG  84          2HG       ARG  84  -6.379   0.452   9.806
  609   1HD   ARG  84          1HD       ARG  84  -4.458  -1.815   9.037
  610   2HD   ARG  84          2HD       ARG  84  -6.004  -2.204   9.788
  611    HE   ARG  84           HE       ARG  84  -5.620  -1.124   7.019
  612   1HH1  ARG  84          1HH1      ARG  84  -9.080  -0.785   6.558
  613   2HH1  ARG  84          2HH1      ARG  84  -7.474   0.011   6.163
  614   1HH2  ARG  84          1HH2      ARG  84  -7.825  -2.485   9.271
  615   2HH2  ARG  84          2HH2      ARG  84  -9.254  -2.141   8.171
  616    H    GLN  85           H        GLN  85  -1.610   1.790  10.556
  617    HA   GLN  85           HA       GLN  85  -1.528   0.579  13.292
  618   1HB   GLN  85          1HB       GLN  85   1.134   1.142  12.661
  619   2HB   GLN  85          2HB       GLN  85   0.415   1.035  11.064
  620   1HG   GLN  85          1HG       GLN  85  -0.151  -1.248  11.275
  621   2HG   GLN  85          2HG       GLN  85   1.412  -1.141  12.057
  622   1HE2  GLN  85          1HE2      GLN  85   0.077  -1.955  15.345
  623   2HE2  GLN  85          2HE2      GLN  85   1.453  -1.143  14.443
  624    H    MET  86           H        MET  86  -0.890   3.710  11.817
  625    HA   MET  86           HA       MET  86   0.754   5.032  13.776
  626   1HB   MET  86          1HB       MET  86  -1.390   6.759  12.568
  627   2HB   MET  86          2HB       MET  86  -0.438   5.841  11.415
  628   1HG   MET  86          1HG       MET  86   1.010   7.622  11.509
  629   2HG   MET  86          2HG       MET  86   1.605   6.872  12.998
  630   1HE   MET  86          1HE       MET  86   2.351   9.770  13.469
  631   2HE   MET  86          2HE       MET  86   1.514   9.969  11.901
  632   3HE   MET  86          3HE       MET  86   1.043  10.983  13.296
  633    H    LYS  87           H        LYS  87  -2.804   5.328  13.485
  634    HA   LYS  87           HA       LYS  87  -3.133   6.376  16.278
  635   1HB   LYS  87          1HB       LYS  87  -4.683   6.482  13.882
  636   2HB   LYS  87          2HB       LYS  87  -5.645   5.503  14.971
  637   1HG   LYS  87          1HG       LYS  87  -4.980   8.425  15.074
  638   2HG   LYS  87          2HG       LYS  87  -4.904   7.638  16.638
  639   1HD   LYS  87          1HD       LYS  87  -7.364   7.652  14.765
  640   2HD   LYS  87          2HD       LYS  87  -7.270   6.766  16.279
  641   1HE   LYS  87          1HE       LYS  87  -6.772   9.789  16.273
  642   2HE   LYS  87          2HE       LYS  87  -8.421   9.159  16.279
  643   1HZ   LYS  87          1HZ       LYS  87  -7.511   7.756  18.282
  644   2HZ   LYS  87          2HZ       LYS  87  -6.349   8.927  18.362
  645   3HZ   LYS  87          3HZ       LYS  87  -7.943   9.334  18.512
  646    H    GLU  88           H        GLU  88  -3.492   3.339  14.526
  647    HA   GLU  88           HA       GLU  88  -3.645   1.068  15.320
  648   1HB   GLU  88          1HB       GLU  88  -3.770   2.039  18.201
  649   2HB   GLU  88          2HB       GLU  88  -3.196   0.505  17.576
  650   1HG   GLU  88          1HG       GLU  88  -1.125   1.514  16.721
  651   2HG   GLU  88          2HG       GLU  88  -1.734   3.144  16.959
  652    H    ASP  89           H        ASP  89  -5.209  -0.245  16.828
  653    HA   ASP  89           HA       ASP  89  -8.023   0.922  16.516
  654   1HB   ASP  89          1HB       ASP  89  -7.634  -2.077  16.686
  655   2HB   ASP  89          2HB       ASP  89  -7.120  -1.282  15.217
  656    H    ALA  90           H        ALA  90  -9.601   0.209  18.075
  657    HA   ALA  90           HA       ALA  90  -8.835  -0.937  20.730
  658   1HB   ALA  90          1HB       ALA  90  -9.658   1.424  21.830
  659   2HB   ALA  90          2HB       ALA  90  -7.947   1.081  21.507
  660   3HB   ALA  90          3HB       ALA  90  -8.879   2.088  20.372
   
  Start of MODEL          17
 Raw file had  660 H/Q atoms
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1 -18.606  -6.382   6.735
    2   2H    ALA   1          2H        ALA   1 -17.777  -6.987   8.067
    3   3H    ALA   1          3H        ALA   1 -18.756  -5.630   8.231
    4    HA   ALA   1           HA       ALA   1 -16.868  -4.517   8.097
    5   1HB   ALA   1          1HB       ALA   1 -15.866  -7.149   7.015
    6   2HB   ALA   1          2HB       ALA   1 -14.944  -5.718   6.517
    7   3HB   ALA   1          3HB       ALA   1 -15.149  -6.086   8.249
    8    H    SER   2           H        SER   2 -16.375  -2.892   6.697
    9    HA   SER   2           HA       SER   2 -16.752  -3.056   3.715
   10   1HB   SER   2          1HB       SER   2 -18.746  -1.956   3.431
   11   2HB   SER   2          2HB       SER   2 -19.107  -2.768   4.957
   12    HG   SER   2           HG       SER   2 -18.185  -0.768   5.935
   13    H    MET   3           H        MET   3 -16.012  -1.193   2.657
   14    HA   MET   3           HA       MET   3 -14.738   1.036   4.328
   15   1HB   MET   3          1HB       MET   3 -12.733   1.094   2.919
   16   2HB   MET   3          2HB       MET   3 -13.340  -0.188   1.888
   17   1HG   MET   3          1HG       MET   3 -11.843  -0.403   4.419
   18   2HG   MET   3          2HG       MET   3 -13.347  -1.332   4.521
   19   1HE   MET   3          1HE       MET   3 -10.008  -1.432   4.085
   20   2HE   MET   3          2HE       MET   3 -10.227  -3.204   4.171
   21   3HE   MET   3          3HE       MET   3  -9.508  -2.466   2.710
   22    H    THR   4           H        THR   4 -16.799   1.991   3.757
   23    HA   THR   4           HA       THR   4 -17.742   2.413   1.007
   24    HB   THR   4           HB       THR   4 -19.050   4.412   2.188
   25    HG1  THR   4           HG1      THR   4 -18.686   2.773   4.414
   26   1HG2  THR   4          1HG2      THR   4 -20.836   2.889   2.948
   27   2HG2  THR   4          2HG2      THR   4 -20.206   2.312   1.389
   28   3HG2  THR   4          3HG2      THR   4 -19.748   1.485   2.900
   29    H    ASP   5           H        ASP   5 -15.544   4.125   3.145
   30    HA   ASP   5           HA       ASP   5 -14.341   5.696   0.943
   31   1HB   ASP   5          1HB       ASP   5 -14.811   8.010   1.954
   32   2HB   ASP   5          2HB       ASP   5 -16.083   7.261   1.016
   33    H    GLN   6           H        GLN   6 -13.234   3.892   2.514
   34    HA   GLN   6           HA       GLN   6 -11.734   5.114   4.832
   35   1HB   GLN   6          1HB       GLN   6 -11.446   2.398   3.418
   36   2HB   GLN   6          2HB       GLN   6 -10.391   2.936   4.713
   37   1HG   GLN   6          1HG       GLN   6 -12.016   1.532   5.757
   38   2HG   GLN   6          2HG       GLN   6 -13.361   2.228   4.877
   39   1HE2  GLN   6          1HE2      GLN   6 -13.965   4.729   7.373
   40   2HE2  GLN   6          2HE2      GLN   6 -14.553   3.740   5.943
   41    H    GLN   7           H        GLN   7 -11.273   4.324   1.420
   42    HA   GLN   7           HA       GLN   7  -8.423   4.598   1.097
   43   1HB   GLN   7          1HB       GLN   7 -10.116   5.745  -1.126
   44   2HB   GLN   7          2HB       GLN   7  -8.737   4.661  -1.188
   45   1HG   GLN   7          1HG       GLN   7 -10.176   2.973  -1.607
   46   2HG   GLN   7          2HG       GLN   7 -10.662   3.041   0.075
   47   1HE2  GLN   7          1HE2      GLN   7 -13.129   5.104  -2.596
   48   2HE2  GLN   7          2HE2      GLN   7 -11.308   5.327  -2.643
   49    H    ALA   8           H        ALA   8 -10.972   7.098   0.845
   50    HA   ALA   8           HA       ALA   8  -9.187   9.353   0.215
   51   1HB   ALA   8          1HB       ALA   8 -11.407  10.635   1.132
   52   2HB   ALA   8          2HB       ALA   8 -11.314   9.890  -0.476
   53   3HB   ALA   8          3HB       ALA   8 -12.122   9.028   0.858
   54    H    GLU   9           H        GLU   9 -10.371   7.893   3.183
   55    HA   GLU   9           HA       GLU   9 -10.012  10.042   5.089
   56   1HB   GLU   9          1HB       GLU   9 -11.197   7.800   5.474
   57   2HB   GLU   9          2HB       GLU   9  -9.623   7.081   5.755
   58   1HG   GLU   9          1HG       GLU   9 -10.857   9.369   7.423
   59   2HG   GLU   9          2HG       GLU   9  -9.253   8.709   7.691
   60    H    ALA  10           H        ALA  10  -7.743   7.743   3.684
   61    HA   ALA  10           HA       ALA  10  -5.492   8.119   5.527
   62   1HB   ALA  10          1HB       ALA  10  -4.135   6.950   3.797
   63   2HB   ALA  10          2HB       ALA  10  -5.676   6.119   4.080
   64   3HB   ALA  10          3HB       ALA  10  -5.453   7.105   2.612
   65    NH1  ARG  11           NH1      ARG  11  -7.778  13.366  -1.369
   66    NH2  ARG  11           NH2      ARG  11  -8.408  11.247  -1.887
   67    H    ARG  11           H        ARG  11  -6.114   9.400   2.243
   68    HA   ARG  11           HA       ARG  11  -3.678  11.010   1.944
   69   1HB   ARG  11          1HB       ARG  11  -6.388  11.040   0.526
   70   2HB   ARG  11          2HB       ARG  11  -4.830  10.478  -0.062
   71   1HG   ARG  11          1HG       ARG  11  -5.827  13.344   0.174
   72   2HG   ARG  11          2HG       ARG  11  -4.089  13.053   0.261
   73   1HD   ARG  11          1HD       ARG  11  -4.078  11.941  -1.956
   74   2HD   ARG  11          2HD       ARG  11  -4.817  13.534  -2.097
   75    HE   ARG  11           HE       ARG  11  -6.126  11.219  -2.985
   76   1HH1  ARG  11          1HH1      ARG  11  -9.321  11.507  -1.497
   77   2HH1  ARG  11          2HH1      ARG  11  -8.157  10.351  -2.319
   78   1HH2  ARG  11          1HH2      ARG  11  -7.008  14.031  -1.229
   79   2HH2  ARG  11          2HH2      ARG  11  -8.776  13.536  -1.196
   80    H    ALA  12           H        ALA  12  -6.911  11.682   3.220
   81    HA   ALA  12           HA       ALA  12  -6.638  14.622   3.473
   82   1HB   ALA  12          1HB       ALA  12  -8.732  14.506   4.809
   83   2HB   ALA  12          2HB       ALA  12  -8.869  13.557   3.316
   84   3HB   ALA  12          3HB       ALA  12  -8.630  12.730   4.875
   85    H    PHE  13           H        PHE  13  -5.936  11.839   5.514
   86    HA   PHE  13           HA       PHE  13  -5.525  13.183   8.075
   87   1HB   PHE  13          1HB       PHE  13  -4.130  10.609   7.134
   88   2HB   PHE  13          2HB       PHE  13  -5.791  10.653   7.662
   89    HD1  PHE  13           HD1      PHE  13  -2.309  11.599   8.857
   90    HD2  PHE  13           HD2      PHE  13  -6.276  10.385  10.005
   91    HE1  PHE  13           HE1      PHE  13  -1.555  11.289  11.179
   92    HE2  PHE  13           HE2      PHE  13  -5.503  10.087  12.321
   93    HZ   PHE  13           HZ       PHE  13  -3.158  10.581  12.922
   94    H    LEU  14           H        LEU  14  -3.232  12.153   5.534
   95    HA   LEU  14           HA       LEU  14  -0.900  13.571   6.820
   96   1HB   LEU  14          1HB       LEU  14   0.508  12.443   5.319
   97   2HB   LEU  14          2HB       LEU  14  -0.698  12.345   4.054
   98    HG   LEU  14           HG       LEU  14  -1.956  10.645   5.669
   99   1HD1  LEU  14          1HD1      LEU  14  -0.668   8.736   4.699
  100   2HD1  LEU  14          2HD1      LEU  14  -0.932   9.995   3.480
  101   3HD1  LEU  14          3HD1      LEU  14   0.666   9.829   4.249
  102   1HD2  LEU  14          1HD2      LEU  14   0.899  10.487   6.850
  103   2HD2  LEU  14          2HD2      LEU  14  -0.570  10.998   7.718
  104   3HD2  LEU  14          3HD2      LEU  14  -0.418   9.327   7.157
  105    H    SER  15           H        SER  15   0.488  14.884   5.257
  106    HA   SER  15           HA       SER  15  -1.219  17.088   4.054
  107   1HB   SER  15          1HB       SER  15   0.833  17.291   5.801
  108   2HB   SER  15          2HB       SER  15   1.779  17.386   4.314
  109    HG   SER  15           HG       SER  15   0.844  19.369   5.244
  110    H    GLU  16           H        GLU  16   0.450  18.229   2.275
  111    HA   GLU  16           HA       GLU  16   0.357  16.394  -0.104
  112   1HB   GLU  16          1HB       GLU  16  -0.238  19.020   0.107
  113   2HB   GLU  16          2HB       GLU  16   1.450  19.206  -0.323
  114   1HG   GLU  16          1HG       GLU  16   0.432  19.281  -2.436
  115   2HG   GLU  16          2HG       GLU  16   0.900  17.591  -2.362
  116    H    GLU  17           H        GLU  17   2.709  17.949   1.987
  117    HA   GLU  17           HA       GLU  17   5.104  17.382   0.287
  118   1HB   GLU  17          1HB       GLU  17   4.838  18.466   3.128
  119   2HB   GLU  17          2HB       GLU  17   6.398  18.044   2.450
  120   1HG   GLU  17          1HG       GLU  17   5.692  20.530   2.301
  121   2HG   GLU  17          2HG       GLU  17   4.490  20.063   1.109
  122    H    MET  18           H        MET  18   3.449  15.922   3.034
  123    HA   MET  18           HA       MET  18   5.458  13.900   3.777
  124   1HB   MET  18          1HB       MET  18   3.734  14.439   5.395
  125   2HB   MET  18          2HB       MET  18   2.440  14.047   4.277
  126   1HG   MET  18          1HG       MET  18   2.598  11.740   4.646
  127   2HG   MET  18          2HG       MET  18   4.347  11.779   4.915
  128   1HE   MET  18          1HE       MET  18   5.113  10.947   6.696
  129   2HE   MET  18          2HE       MET  18   4.895  11.529   8.373
  130   3HE   MET  18          3HE       MET  18   3.878  10.195   7.754
  131    H    ILE  19           H        ILE  19   2.791  14.037   1.469
  132    HA   ILE  19           HA       ILE  19   2.698  11.206   0.650
  133    HB   ILE  19           HB       ILE  19   1.775  13.759  -0.736
  134   1HG1  ILE  19          1HG1      ILE  19   0.249  11.376   0.507
  135   2HG1  ILE  19          2HG1      ILE  19   0.333  13.005   1.143
  136   1HG2  ILE  19          1HG2      ILE  19   0.765  12.382  -2.569
  137   2HG2  ILE  19          2HG2      ILE  19   2.519  12.200  -2.564
  138   3HG2  ILE  19          3HG2      ILE  19   1.499  10.906  -1.895
  139   1HD1  ILE  19          1HD1      ILE  19  -1.111  12.243  -1.462
  140   2HD1  ILE  19          2HD1      ILE  19  -1.838  12.720   0.086
  141   3HD1  ILE  19          3HD1      ILE  19  -0.912  13.911  -0.859
  142    H    ALA  20           H        ALA  20   4.449  14.078  -0.535
  143    HA   ALA  20           HA       ALA  20   5.738  13.088  -2.867
  144   1HB   ALA  20          1HB       ALA  20   7.523  14.801  -2.447
  145   2HB   ALA  20          2HB       ALA  20   5.887  15.448  -2.221
  146   3HB   ALA  20          3HB       ALA  20   6.895  15.064  -0.803
  147    H    GLU  21           H        GLU  21   6.755  12.761   0.530
  148    HA   GLU  21           HA       GLU  21   9.352  11.469   0.011
  149   1HB   GLU  21          1HB       GLU  21   7.761  11.369   2.626
  150   2HB   GLU  21          2HB       GLU  21   8.704  12.755   2.117
  151   1HG   GLU  21          1HG       GLU  21  10.716  10.950   1.950
  152   2HG   GLU  21          2HG       GLU  21   9.685  10.003   3.009
  153    H    PHE  22           H        PHE  22   6.077  10.327   0.653
  154    HA   PHE  22           HA       PHE  22   6.599   7.512   1.216
  155   1HB   PHE  22          1HB       PHE  22   4.111   7.382   0.035
  156   2HB   PHE  22          2HB       PHE  22   4.167   9.093   0.367
  157    HD1  PHE  22           HD1      PHE  22   2.123   7.463   1.701
  158    HD2  PHE  22           HD2      PHE  22   6.181   8.171   2.949
  159    HE1  PHE  22           HE1      PHE  22   1.484   7.060   4.041
  160    HE2  PHE  22           HE2      PHE  22   5.516   7.787   5.287
  161    HZ   PHE  22           HZ       PHE  22   3.173   7.229   5.838
  162    H    LYS  23           H        LYS  23   5.998   9.300  -1.792
  163    HA   LYS  23           HA       LYS  23   5.763   7.106  -3.680
  164   1HB   LYS  23          1HB       LYS  23   7.059   9.792  -4.400
  165   2HB   LYS  23          2HB       LYS  23   6.211   8.696  -5.469
  166   1HG   LYS  23          1HG       LYS  23   4.059   9.304  -4.606
  167   2HG   LYS  23          2HG       LYS  23   4.716   9.952  -3.116
  168   1HD   LYS  23          1HD       LYS  23   4.079  11.904  -4.327
  169   2HD   LYS  23          2HD       LYS  23   5.820  11.817  -4.541
  170   1HE   LYS  23          1HE       LYS  23   4.891  12.379  -6.706
  171   2HE   LYS  23          2HE       LYS  23   5.484  10.722  -6.831
  172   1HZ   LYS  23          1HZ       LYS  23   3.194  11.193  -7.754
  173   2HZ   LYS  23          2HZ       LYS  23   3.277   9.896  -6.733
  174   3HZ   LYS  23          3HZ       LYS  23   2.639  11.325  -6.203
  175    H    ALA  24           H        ALA  24   8.551   8.732  -2.257
  176    HA   ALA  24           HA       ALA  24  10.687   7.859  -3.995
  177   1HB   ALA  24          1HB       ALA  24  12.220   8.346  -2.098
  178   2HB   ALA  24          2HB       ALA  24  11.002   9.622  -2.282
  179   3HB   ALA  24          3HB       ALA  24  10.847   8.428  -0.968
  180    H    ALA  25           H        ALA  25   9.440   6.374  -0.991
  181    HA   ALA  25           HA       ALA  25  11.303   4.081  -0.963
  182   1HB   ALA  25          1HB       ALA  25   9.896   3.226   0.903
  183   2HB   ALA  25          2HB       ALA  25  10.287   4.941   1.127
  184   3HB   ALA  25          3HB       ALA  25   8.659   4.464   0.581
  185    H    PHE  26           H        PHE  26   8.065   4.662  -2.220
  186    HA   PHE  26           HA       PHE  26   7.228   1.878  -2.676
  187   1HB   PHE  26          1HB       PHE  26   6.226   4.425  -4.084
  188   2HB   PHE  26          2HB       PHE  26   5.658   3.866  -2.532
  189    HD1  PHE  26           HD1      PHE  26   4.202   1.795  -2.395
  190    HD2  PHE  26           HD2      PHE  26   5.597   3.251  -6.195
  191    HE1  PHE  26           HE1      PHE  26   2.487   0.458  -3.549
  192    HE2  PHE  26           HE2      PHE  26   3.879   1.902  -7.332
  193    HZ   PHE  26           HZ       PHE  26   2.314   0.518  -6.014
  194    H    ASP  27           H        ASP  27   9.008   4.292  -4.523
  195    HA   ASP  27           HA       ASP  27   9.053   2.815  -7.113
  196   1HB   ASP  27          1HB       ASP  27   9.391   5.437  -6.625
  197   2HB   ASP  27          2HB       ASP  27  11.077   4.992  -6.490
  198    H    MET  28           H        MET  28  10.942   2.862  -4.187
  199    HA   MET  28           HA       MET  28  13.491   1.802  -5.060
  200   1HB   MET  28          1HB       MET  28  12.482   0.682  -2.455
  201   2HB   MET  28          2HB       MET  28  12.474   2.432  -2.578
  202   1HG   MET  28          1HG       MET  28  14.922   0.586  -2.863
  203   2HG   MET  28          2HG       MET  28  14.971   2.303  -3.294
  204   1HE   MET  28          1HE       MET  28  15.456   4.031  -2.023
  205   2HE   MET  28          2HE       MET  28  15.431   4.207  -0.243
  206   3HE   MET  28          3HE       MET  28  16.746   3.285  -1.028
  207    H    PHE  29           H        PHE  29  10.411   0.193  -4.363
  208    HA   PHE  29           HA       PHE  29  11.567  -2.522  -5.236
  209   1HB   PHE  29          1HB       PHE  29   9.654  -3.589  -3.995
  210   2HB   PHE  29          2HB       PHE  29   9.083  -2.024  -3.489
  211    HD1  PHE  29           HD1      PHE  29   9.288  -3.390  -1.204
  212    HD2  PHE  29           HD2      PHE  29  12.673  -1.899  -3.406
  213    HE1  PHE  29           HE1      PHE  29  10.676  -3.511   0.825
  214    HE2  PHE  29           HE2      PHE  29  14.039  -2.014  -1.362
  215    HZ   PHE  29           HZ       PHE  29  13.049  -2.823   0.750
  216    H    ASP  30           H        ASP  30  10.745  -0.401  -6.984
  217    HA   ASP  30           HA       ASP  30   8.263  -1.599  -8.330
  218   1HB   ASP  30          1HB       ASP  30   9.033   1.324  -8.741
  219   2HB   ASP  30          2HB       ASP  30   8.118   0.853  -7.328
  220    H    ALA  31           H        ALA  31   9.886  -3.037  -9.246
  221    HA   ALA  31           HA       ALA  31  12.047  -2.028 -11.043
  222   1HB   ALA  31          1HB       ALA  31  12.454  -4.443 -11.532
  223   2HB   ALA  31          2HB       ALA  31  12.353  -4.134  -9.788
  224   3HB   ALA  31          3HB       ALA  31  10.987  -4.902 -10.637
  225    H    ASP  32           H        ASP  32   9.538  -4.404 -11.861
  226    HA   ASP  32           HA       ASP  32   8.800  -2.850 -14.386
  227   1HB   ASP  32          1HB       ASP  32   8.675  -4.999 -15.695
  228   2HB   ASP  32          2HB       ASP  32  10.292  -4.479 -15.279
  229    H    GLY  33           H        GLY  33   7.334  -2.519 -12.244
  230   1HA   GLY  33          1HA       GLY  33   4.961  -4.443 -12.272
  231   2HA   GLY  33          2HA       GLY  33   5.251  -3.192 -11.059
  232    H    GLY  34           H        GLY  34   4.870  -0.990 -11.575
  233   1HA   GLY  34          1HA       GLY  34   4.034   0.647 -13.515
  234   2HA   GLY  34          2HA       GLY  34   2.791  -0.578 -13.789
  235    H    GLY  35           H        GLY  35   4.186   1.175 -11.003
  236   1HA   GLY  35          1HA       GLY  35   3.121   2.472  -9.231
  237   2HA   GLY  35          2HA       GLY  35   1.624   2.417 -10.168
  238    H    ASP  36           H        ASP  36   3.411  -0.479  -9.335
  239    HA   ASP  36           HA       ASP  36   1.577  -1.245  -7.049
  240   1HB   ASP  36          1HB       ASP  36   0.782  -3.341  -8.078
  241   2HB   ASP  36          2HB       ASP  36   0.197  -1.929  -8.927
  242    H    ILE  37           H        ILE  37   2.239  -3.347  -6.134
  243    HA   ILE  37           HA       ILE  37   5.022  -4.392  -6.744
  244    HB   ILE  37           HB       ILE  37   5.732  -4.111  -4.305
  245   1HG1  ILE  37          1HG1      ILE  37   4.157  -1.552  -4.040
  246   2HG1  ILE  37          2HG1      ILE  37   3.194  -3.002  -3.854
  247   1HG2  ILE  37          1HG2      ILE  37   6.795  -1.895  -4.751
  248   2HG2  ILE  37          2HG2      ILE  37   6.789  -2.876  -6.223
  249   3HG2  ILE  37          3HG2      ILE  37   5.617  -1.549  -6.041
  250   1HD1  ILE  37          1HD1      ILE  37   5.648  -2.328  -2.130
  251   2HD1  ILE  37          2HD1      ILE  37   3.937  -2.302  -1.648
  252   3HD1  ILE  37          3HD1      ILE  37   4.723  -3.851  -2.033
  253    H    SER  38           H        SER  38   5.442  -6.350  -5.544
  254    HA   SER  38           HA       SER  38   3.202  -8.230  -5.295
  255   1HB   SER  38          1HB       SER  38   5.955  -8.491  -5.445
  256   2HB   SER  38          2HB       SER  38   5.672  -8.916  -3.755
  257    HG   SER  38           HG       SER  38   5.393 -10.473  -5.706
  258    H    THR  39           H        THR  39   2.167  -9.012  -3.514
  259    HA   THR  39           HA       THR  39   1.598  -7.155  -1.288
  260    HB   THR  39           HB       THR  39  -0.074  -8.784  -2.253
  261    HG1  THR  39           HG1      THR  39  -0.126  -9.315   0.424
  262   1HG2  THR  39          1HG2      THR  39  -0.297 -11.046  -1.324
  263   2HG2  THR  39          2HG2      THR  39   1.269 -10.927  -2.160
  264   3HG2  THR  39          3HG2      THR  39   1.200 -10.873  -0.379
  265    H    LYS  40           H        LYS  40   3.973  -9.606  -1.796
  266    HA   LYS  40           HA       LYS  40   4.450 -10.302   1.072
  267   1HB   LYS  40          1HB       LYS  40   5.182 -11.407  -1.516
  268   2HB   LYS  40          2HB       LYS  40   5.259 -12.152   0.067
  269   1HG   LYS  40          1HG       LYS  40   7.491 -10.292  -0.918
  270   2HG   LYS  40          2HG       LYS  40   7.563 -11.435   0.408
  271   1HD   LYS  40          1HD       LYS  40   7.536 -12.067  -2.606
  272   2HD   LYS  40          2HD       LYS  40   8.827 -12.340  -1.447
  273   1HE   LYS  40          1HE       LYS  40   6.736 -13.851  -0.317
  274   2HE   LYS  40          2HE       LYS  40   8.087 -14.494  -1.253
  275   1HZ   LYS  40          1HZ       LYS  40   5.571 -14.877  -1.938
  276   2HZ   LYS  40          2HZ       LYS  40   5.794 -13.470  -2.774
  277   3HZ   LYS  40          3HZ       LYS  40   6.761 -14.775  -3.079
  278    H    GLU  41           H        GLU  41   5.529  -7.879  -1.163
  279    HA   GLU  41           HA       GLU  41   8.162  -7.352   0.186
  280   1HB   GLU  41          1HB       GLU  41   6.799  -5.933  -2.165
  281   2HB   GLU  41          2HB       GLU  41   8.371  -5.491  -1.527
  282   1HG   GLU  41          1HG       GLU  41   7.682  -8.253  -2.728
  283   2HG   GLU  41          2HG       GLU  41   9.259  -7.796  -2.107
  284    H    LEU  42           H        LEU  42   5.001  -5.719  -0.151
  285    HA   LEU  42           HA       LEU  42   5.330  -3.151   0.765
  286   1HB   LEU  42          1HB       LEU  42   3.067  -4.274   2.259
  287   2HB   LEU  42          2HB       LEU  42   3.100  -3.121   0.910
  288    HG   LEU  42           HG       LEU  42   3.237  -6.145   0.397
  289   1HD1  LEU  42          1HD1      LEU  42   0.734  -6.110   0.127
  290   2HD1  LEU  42          2HD1      LEU  42   1.222  -5.804   1.800
  291   3HD1  LEU  42          3HD1      LEU  42   0.682  -4.451   0.775
  292   1HD2  LEU  42          1HD2      LEU  42   2.242  -3.751  -1.316
  293   2HD2  LEU  42          2HD2      LEU  42   3.773  -4.630  -1.547
  294   3HD2  LEU  42          3HD2      LEU  42   2.231  -5.461  -1.820
  295    H    GLY  43           H        GLY  43   5.089  -5.984   2.946
  296   1HA   GLY  43          1HA       GLY  43   5.613  -6.248   5.319
  297   2HA   GLY  43          2HA       GLY  43   5.223  -4.533   5.468
  298    H    THR  44           H        THR  44   7.804  -6.234   3.641
  299    HA   THR  44           HA       THR  44  10.098  -5.672   5.148
  300    HB   THR  44           HB       THR  44   9.737  -5.859   2.157
  301    HG1  THR  44           HG1      THR  44  10.784  -7.684   2.474
  302   1HG2  THR  44          1HG2      THR  44  12.206  -5.728   1.796
  303   2HG2  THR  44          2HG2      THR  44  11.548  -4.157   2.299
  304   3HG2  THR  44          3HG2      THR  44  12.436  -5.165   3.470
  305    H    VAL  45           H        VAL  45   8.192  -3.522   3.115
  306    HA   VAL  45           HA       VAL  45  10.048  -1.216   3.088
  307    HB   VAL  45           HB       VAL  45   7.082  -0.869   2.550
  308   1HG1  VAL  45          1HG1      VAL  45   7.890   0.702   0.788
  309   2HG1  VAL  45          2HG1      VAL  45   8.556   1.151   2.362
  310   3HG1  VAL  45          3HG1      VAL  45   9.585   0.313   1.179
  311   1HG2  VAL  45          1HG2      VAL  45   9.020  -2.211   0.550
  312   2HG2  VAL  45          2HG2      VAL  45   7.616  -2.988   1.318
  313   3HG2  VAL  45          3HG2      VAL  45   7.367  -1.647   0.190
  314    H    MET  46           H        MET  46   7.186  -2.175   4.972
  315    HA   MET  46           HA       MET  46   6.856   0.167   6.655
  316   1HB   MET  46          1HB       MET  46   6.163  -2.775   7.080
  317   2HB   MET  46          2HB       MET  46   5.992  -1.639   8.406
  318   1HG   MET  46          1HG       MET  46   4.569  -0.186   6.649
  319   2HG   MET  46          2HG       MET  46   4.443  -1.722   5.777
  320   1HE   MET  46          1HE       MET  46   3.558   0.522   8.466
  321   2HE   MET  46          2HE       MET  46   2.053  -0.179   9.131
  322   3HE   MET  46          3HE       MET  46   3.618  -0.513   9.927
  323    NH1  ARG  47           NH1      ARG  47  11.673  -7.756   9.983
  324    NH2  ARG  47           NH2      ARG  47  13.427  -8.086  11.390
  325    H    ARG  47           H        ARG  47   9.130  -2.517   6.764
  326    HA   ARG  47           HA       ARG  47  10.162  -2.035   9.521
  327   1HB   ARG  47          1HB       ARG  47  10.246  -4.225   7.879
  328   2HB   ARG  47          2HB       ARG  47  11.826  -3.551   7.508
  329   1HG   ARG  47          1HG       ARG  47  10.839  -4.729  10.113
  330   2HG   ARG  47          2HG       ARG  47  11.978  -3.388  10.245
  331   1HD   ARG  47          1HD       ARG  47  13.702  -4.560   8.973
  332   2HD   ARG  47          2HD       ARG  47  12.572  -5.788   8.405
  333    HE   ARG  47           HE       ARG  47  13.692  -5.622  11.229
  334   1HH1  ARG  47          1HH1      ARG  47  11.456  -8.745  10.148
  335   2HH1  ARG  47          2HH1      ARG  47  11.155  -7.105   9.382
  336   1HH2  ARG  47          1HH2      ARG  47  14.212  -7.675  11.906
  337   2HH2  ARG  47          2HH2      ARG  47  13.123  -9.066  11.410
  338    H    MET  48           H        MET  48  11.365  -1.446   6.213
  339    HA   MET  48           HA       MET  48  13.891  -0.145   7.097
  340   1HB   MET  48          1HB       MET  48  14.423   0.211   4.774
  341   2HB   MET  48          2HB       MET  48  12.744   0.110   4.271
  342   1HG   MET  48          1HG       MET  48  12.935  -2.133   3.897
  343   2HG   MET  48          2HG       MET  48  13.437  -2.421   5.571
  344   1HE   MET  48          1HE       MET  48  15.814  -1.292   6.354
  345   2HE   MET  48          2HE       MET  48  17.311  -1.669   5.451
  346   3HE   MET  48          3HE       MET  48  16.403  -0.174   5.084
  347    H    LEU  49           H        LEU  49  10.756   0.955   7.208
  348    HA   LEU  49           HA       LEU  49  11.386   3.880   6.682
  349   1HB   LEU  49          1HB       LEU  49   8.826   2.350   7.346
  350   2HB   LEU  49          2HB       LEU  49   8.902   4.074   7.640
  351    HG   LEU  49           HG       LEU  49   8.930   2.579   4.988
  352   1HD1  LEU  49          1HD1      LEU  49   7.236   4.308   4.361
  353   2HD1  LEU  49          2HD1      LEU  49   6.768   3.489   5.862
  354   3HD1  LEU  49          3HD1      LEU  49   7.457   5.130   5.926
  355   1HD2  LEU  49          1HD2      LEU  49  10.059   5.441   5.307
  356   2HD2  LEU  49          2HD2      LEU  49  10.973   4.004   4.786
  357   3HD2  LEU  49          3HD2      LEU  49   9.680   4.642   3.760
  358    H    GLY  50           H        GLY  50  10.801   1.555   9.269
  359   1HA   GLY  50          1HA       GLY  50  12.501   2.131  11.289
  360   2HA   GLY  50          2HA       GLY  50  11.567   3.628  11.386
  361    H    GLN  51           H        GLN  51  10.668   0.207  10.911
  362    HA   GLN  51           HA       GLN  51   8.992   0.225  13.469
  363   1HB   GLN  51          1HB       GLN  51   7.891  -0.666  10.736
  364   2HB   GLN  51          2HB       GLN  51   7.120  -0.967  12.283
  365   1HG   GLN  51          1HG       GLN  51   7.755   1.928  11.812
  366   2HG   GLN  51          2HG       GLN  51   6.652   1.247  10.635
  367   1HE2  GLN  51          1HE2      GLN  51   4.243   2.296  13.170
  368   2HE2  GLN  51          2HE2      GLN  51   5.110   2.777  11.625
  369    H    ASN  52           H        ASN  52   8.075  -2.188  13.598
  370    HA   ASN  52           HA       ASN  52  10.255  -4.177  12.904
  371   1HB   ASN  52          1HB       ASN  52   9.489  -3.309  15.712
  372   2HB   ASN  52          2HB       ASN  52   9.998  -4.966  15.467
  373   1HD2  ASN  52          1HD2      ASN  52  12.717  -1.825  15.206
  374   2HD2  ASN  52          2HD2      ASN  52  10.905  -1.546  15.269
  375    HA   PRO  53           HA       PRO  53   5.664  -5.845  13.014
  376   1HB   PRO  53          1HB       PRO  53   5.161  -6.296  10.345
  377   2HB   PRO  53          2HB       PRO  53   4.966  -4.722  11.132
  378   1HG   PRO  53          1HG       PRO  53   7.337  -5.681   9.456
  379   2HG   PRO  53          2HG       PRO  53   6.469  -4.133   9.337
  380   1HD   PRO  53          1HD       PRO  53   8.856  -4.432  10.749
  381   2HD   PRO  53          2HD       PRO  53   7.618  -3.232  11.230
  382    H    THR  54           H        THR  54   5.046  -7.976  11.398
  383    HA   THR  54           HA       THR  54   7.308  -9.998  11.643
  384    HB   THR  54           HB       THR  54   4.555 -10.587  12.833
  385    HG1  THR  54           HG1      THR  54   5.289  -9.416  14.350
  386   1HG2  THR  54          1HG2      THR  54   5.634 -12.562  13.860
  387   2HG2  THR  54          2HG2      THR  54   5.792 -12.645  12.091
  388   3HG2  THR  54          3HG2      THR  54   7.189 -12.169  13.089
  389    H    LYS  55           H        LYS  55   6.902 -11.946  10.444
  390    HA   LYS  55           HA       LYS  55   5.703 -11.468   7.773
  391   1HB   LYS  55          1HB       LYS  55   6.246 -14.054   7.524
  392   2HB   LYS  55          2HB       LYS  55   7.530 -12.864   7.517
  393   1HG   LYS  55          1HG       LYS  55   6.705 -14.343  10.080
  394   2HG   LYS  55          2HG       LYS  55   8.159 -13.397   9.827
  395   1HD   LYS  55          1HD       LYS  55   7.703 -15.849   8.049
  396   2HD   LYS  55          2HD       LYS  55   9.207 -15.066   8.508
  397   1HE   LYS  55          1HE       LYS  55   8.462 -15.854  11.010
  398   2HE   LYS  55          2HE       LYS  55   7.578 -17.081  10.101
  399   1HZ   LYS  55          1HZ       LYS  55   9.525 -18.019   9.362
  400   2HZ   LYS  55          2HZ       LYS  55  10.391 -16.612   9.373
  401   3HZ   LYS  55          3HZ       LYS  55  10.083 -17.403  10.790
  402    H    GLU  56           H        GLU  56   4.821 -13.225  10.700
  403    HA   GLU  56           HA       GLU  56   2.503 -14.709   9.775
  404   1HB   GLU  56          1HB       GLU  56   2.873 -15.477  11.848
  405   2HB   GLU  56          2HB       GLU  56   3.666 -14.008  12.380
  406   1HG   GLU  56          1HG       GLU  56   1.685 -13.074  13.272
  407   2HG   GLU  56          2HG       GLU  56   0.633 -13.914  12.145
  408    H    GLU  57           H        GLU  57   2.934 -11.359  10.801
  409    HA   GLU  57           HA       GLU  57   0.044 -10.650  10.932
  410   1HB   GLU  57          1HB       GLU  57   2.400  -8.703  10.749
  411   2HB   GLU  57          2HB       GLU  57   0.763  -8.334  11.253
  412   1HG   GLU  57          1HG       GLU  57   2.373 -10.414  12.829
  413   2HG   GLU  57          2HG       GLU  57   2.721  -8.707  13.045
  414    H    LEU  58           H        LEU  58   2.635 -10.523   8.548
  415    HA   LEU  58           HA       LEU  58   1.353  -8.897   6.484
  416   1HB   LEU  58          1HB       LEU  58   3.658 -10.842   6.562
  417   2HB   LEU  58          2HB       LEU  58   2.921 -10.613   4.991
  418    HG   LEU  58           HG       LEU  58   4.722  -9.063   5.042
  419   1HD1  LEU  58          1HD1      LEU  58   3.842  -7.969   7.788
  420   2HD1  LEU  58          2HD1      LEU  58   5.097  -9.200   7.584
  421   3HD1  LEU  58          3HD1      LEU  58   5.333  -7.576   6.895
  422   1HD2  LEU  58          1HD2      LEU  58   3.713  -6.813   4.879
  423   2HD2  LEU  58          2HD2      LEU  58   2.539  -7.996   4.250
  424   3HD2  LEU  58          3HD2      LEU  58   2.319  -7.312   5.871
  425    H    ASP  59           H        ASP  59   1.197 -12.309   7.345
  426    HA   ASP  59           HA       ASP  59  -0.319 -13.306   5.046
  427   1HB   ASP  59          1HB       ASP  59   0.115 -14.416   7.854
  428   2HB   ASP  59          2HB       ASP  59  -1.063 -15.158   6.798
  429    H    ALA  60           H        ALA  60  -1.246 -11.884   8.152
  430    HA   ALA  60           HA       ALA  60  -4.143 -12.372   8.063
  431   1HB   ALA  60          1HB       ALA  60  -4.294 -10.610   9.816
  432   2HB   ALA  60          2HB       ALA  60  -2.990 -11.761  10.167
  433   3HB   ALA  60          3HB       ALA  60  -2.600 -10.140   9.536
  434    H    ILE  61           H        ILE  61  -2.132  -9.560   7.135
  435    HA   ILE  61           HA       ILE  61  -4.073  -7.718   6.229
  436    HB   ILE  61           HB       ILE  61  -1.238  -8.175   5.220
  437   1HG1  ILE  61          1HG1      ILE  61  -2.527  -5.953   6.938
  438   2HG1  ILE  61          2HG1      ILE  61  -1.413  -7.183   7.494
  439   1HG2  ILE  61          1HG2      ILE  61  -1.383  -6.058   3.881
  440   2HG2  ILE  61          2HG2      ILE  61  -2.507  -7.265   3.260
  441   3HG2  ILE  61          3HG2      ILE  61  -3.120  -5.922   4.251
  442   1HD1  ILE  61          1HD1      ILE  61  -0.649  -4.910   5.569
  443   2HD1  ILE  61          2HD1      ILE  61  -0.185  -5.096   7.273
  444   3HD1  ILE  61          3HD1      ILE  61   0.437  -6.239   6.060
  445    H    ILE  62           H        ILE  62  -2.780 -10.615   4.701
  446    HA   ILE  62           HA       ILE  62  -3.901 -10.204   1.989
  447    HB   ILE  62           HB       ILE  62  -2.848 -12.747   3.326
  448   1HG1  ILE  62          1HG1      ILE  62  -1.537 -10.557   1.681
  449   2HG1  ILE  62          2HG1      ILE  62  -0.895 -11.486   3.018
  450   1HG2  ILE  62          1HG2      ILE  62  -2.837 -13.804   1.052
  451   2HG2  ILE  62          2HG2      ILE  62  -4.481 -13.376   1.521
  452   3HG2  ILE  62          3HG2      ILE  62  -3.607 -12.357   0.354
  453   1HD1  ILE  62          1HD1      ILE  62  -1.138 -12.545   0.141
  454   2HD1  ILE  62          2HD1      ILE  62   0.341 -12.096   1.016
  455   3HD1  ILE  62          3HD1      ILE  62  -0.598 -13.513   1.541
  456    H    GLU  63           H        GLU  63  -4.905 -11.960   4.907
  457    HA   GLU  63           HA       GLU  63  -7.268 -13.277   3.800
  458   1HB   GLU  63          1HB       GLU  63  -6.163 -14.029   5.881
  459   2HB   GLU  63          2HB       GLU  63  -6.662 -12.574   6.720
  460   1HG   GLU  63          1HG       GLU  63  -8.812 -14.375   5.485
  461   2HG   GLU  63          2HG       GLU  63  -8.963 -13.248   6.822
  462    H    GLU  64           H        GLU  64  -6.706 -10.049   5.040
  463    HA   GLU  64           HA       GLU  64  -9.611  -9.384   5.413
  464   1HB   GLU  64          1HB       GLU  64  -7.908  -8.523   6.994
  465   2HB   GLU  64          2HB       GLU  64  -7.121  -7.623   5.713
  466   1HG   GLU  64          1HG       GLU  64  -9.571  -6.473   5.452
  467   2HG   GLU  64          2HG       GLU  64  -9.781  -7.052   7.096
  468    H    VAL  65           H        VAL  65  -7.010  -8.721   3.113
  469    HA   VAL  65           HA       VAL  65  -8.670  -6.745   1.532
  470    HB   VAL  65           HB       VAL  65  -5.887  -6.981   1.986
  471   1HG1  VAL  65          1HG1      VAL  65  -7.231  -5.112  -0.070
  472   2HG1  VAL  65          2HG1      VAL  65  -7.321  -4.870   1.684
  473   3HG1  VAL  65          3HG1      VAL  65  -5.743  -4.815   0.862
  474   1HG2  VAL  65          1HG2      VAL  65  -4.776  -7.129  -0.184
  475   2HG2  VAL  65          2HG2      VAL  65  -5.787  -8.587  -0.041
  476   3HG2  VAL  65          3HG2      VAL  65  -6.322  -7.242  -1.060
  477    H    ASP  66           H        ASP  66  -6.668  -9.597   0.654
  478    HA   ASP  66           HA       ASP  66  -8.546 -10.281  -1.616
  479   1HB   ASP  66          1HB       ASP  66  -5.877 -10.298  -1.685
  480   2HB   ASP  66          2HB       ASP  66  -6.042 -11.895  -0.994
  481    H    GLU  67           H        GLU  67  -9.912 -10.545   0.577
  482    HA   GLU  67           HA       GLU  67  -9.956 -13.148   1.940
  483   1HB   GLU  67          1HB       GLU  67 -12.514 -12.626   2.197
  484   2HB   GLU  67          2HB       GLU  67 -11.313 -11.698   3.073
  485   1HG   GLU  67          1HG       GLU  67 -11.500  -9.832   1.364
  486   2HG   GLU  67          2HG       GLU  67 -12.681 -10.771   0.465
  487    H    ASP  68           H        ASP  68 -11.208 -11.958  -1.131
  488    HA   ASP  68           HA       ASP  68 -11.357 -14.765  -2.234
  489   1HB   ASP  68          1HB       ASP  68 -13.872 -13.022  -2.034
  490   2HB   ASP  68          2HB       ASP  68 -13.710 -14.303  -3.212
  491    H    GLY  69           H        GLY  69 -10.751 -14.801  -4.290
  492   1HA   GLY  69          1HA       GLY  69 -10.711 -13.848  -6.647
  493   2HA   GLY  69          2HA       GLY  69 -10.711 -12.229  -5.941
  494    H    SER  70           H        SER  70  -8.893 -11.629  -7.072
  495    HA   SER  70           HA       SER  70  -6.218 -12.220  -5.858
  496   1HB   SER  70          1HB       SER  70  -6.761 -14.221  -7.430
  497   2HB   SER  70          2HB       SER  70  -5.176 -13.455  -7.556
  498    HG   SER  70           HG       SER  70  -6.438 -13.871  -9.530
  499    H    GLY  71           H        GLY  71  -4.595 -10.826  -6.652
  500   1HA   GLY  71          1HA       GLY  71  -4.527  -8.998  -8.840
  501   2HA   GLY  71          2HA       GLY  71  -5.568  -8.178  -7.671
  502    H    THR  72           H        THR  72  -3.511  -6.783  -8.148
  503    HA   THR  72           HA       THR  72  -1.349  -7.363  -6.079
  504    HB   THR  72           HB       THR  72   0.280  -6.207  -7.294
  505    HG1  THR  72           HG1      THR  72  -0.118  -4.835  -8.894
  506   1HG2  THR  72          1HG2      THR  72   0.314  -8.169  -8.560
  507   2HG2  THR  72          2HG2      THR  72  -1.354  -7.984  -9.145
  508   3HG2  THR  72          3HG2      THR  72  -0.045  -7.000  -9.850
  509    H    ILE  73           H        ILE  73  -0.335  -5.224  -5.266
  510    HA   ILE  73           HA       ILE  73  -2.612  -3.580  -4.140
  511    HB   ILE  73           HB       ILE  73  -0.958  -4.777  -2.596
  512   1HG1  ILE  73          1HG1      ILE  73  -1.240  -1.826  -1.865
  513   2HG1  ILE  73          2HG1      ILE  73  -2.670  -2.809  -2.123
  514   1HG2  ILE  73          1HG2      ILE  73   1.137  -3.669  -1.912
  515   2HG2  ILE  73          2HG2      ILE  73   1.224  -4.040  -3.640
  516   3HG2  ILE  73          3HG2      ILE  73   0.908  -2.371  -3.107
  517   1HD1  ILE  73          1HD1      ILE  73  -1.987  -2.688   0.318
  518   2HD1  ILE  73          2HD1      ILE  73  -2.100  -4.348  -0.304
  519   3HD1  ILE  73          3HD1      ILE  73  -0.502  -3.595  -0.081
  520    H    ASP  74           H        ASP  74  -2.190  -1.230  -3.840
  521    HA   ASP  74           HA       ASP  74  -0.672  -0.009  -6.204
  522   1HB   ASP  74          1HB       ASP  74  -2.925   1.647  -5.752
  523   2HB   ASP  74          2HB       ASP  74  -3.507  -0.035  -5.920
  524    H    PHE  75           H        PHE  75  -0.773   2.527  -5.809
  525    HA   PHE  75           HA       PHE  75   0.757   3.056  -3.324
  526   1HB   PHE  75          1HB       PHE  75   1.292   4.123  -5.541
  527   2HB   PHE  75          2HB       PHE  75  -0.199   5.027  -5.489
  528    HD1  PHE  75           HD1      PHE  75   1.935   4.418  -2.437
  529    HD2  PHE  75           HD2      PHE  75   0.876   7.238  -5.511
  530    HE1  PHE  75           HE1      PHE  75   2.919   6.245  -1.115
  531    HE2  PHE  75           HE2      PHE  75   1.850   9.055  -4.162
  532    HZ   PHE  75           HZ       PHE  75   2.892   8.560  -1.979
  533    H    GLU  76           H        GLU  76  -2.505   3.645  -4.514
  534    HA   GLU  76           HA       GLU  76  -3.450   5.485  -2.433
  535   1HB   GLU  76          1HB       GLU  76  -5.793   4.583  -3.137
  536   2HB   GLU  76          2HB       GLU  76  -4.949   3.634  -4.344
  537   1HG   GLU  76          1HG       GLU  76  -3.885   5.979  -5.093
  538   2HG   GLU  76          2HG       GLU  76  -5.496   5.513  -5.611
  539    H    GLU  77           H        GLU  77  -3.843   1.963  -2.863
  540    HA   GLU  77           HA       GLU  77  -5.149   1.386  -0.286
  541   1HB   GLU  77          1HB       GLU  77  -3.678  -0.395  -2.275
  542   2HB   GLU  77          2HB       GLU  77  -4.210  -1.023  -0.728
  543   1HG   GLU  77          1HG       GLU  77  -6.253   0.414  -2.498
  544   2HG   GLU  77          2HG       GLU  77  -5.740  -1.206  -2.939
  545    H    PHE  78           H        PHE  78  -1.814   1.686  -1.370
  546    HA   PHE  78           HA       PHE  78  -0.369   0.538   0.848
  547   1HB   PHE  78          1HB       PHE  78   0.866   1.085  -1.133
  548   2HB   PHE  78          2HB       PHE  78   0.370   2.757  -1.125
  549    HD1  PHE  78           HD1      PHE  78   2.671   0.259   0.414
  550    HD2  PHE  78           HD2      PHE  78   1.475   4.391   0.473
  551    HE1  PHE  78           HE1      PHE  78   4.805   0.872   1.476
  552    HE2  PHE  78           HE2      PHE  78   3.616   4.986   1.529
  553    HZ   PHE  78           HZ       PHE  78   5.255   3.224   2.090
  554    H    LEU  79           H        LEU  79  -1.749   3.775   0.378
  555    HA   LEU  79           HA       LEU  79  -0.760   5.016   2.874
  556   1HB   LEU  79          1HB       LEU  79  -2.127   6.882   2.376
  557   2HB   LEU  79          2HB       LEU  79  -3.346   5.929   1.557
  558    HG   LEU  79           HG       LEU  79  -2.127   5.823  -0.485
  559   1HD1  LEU  79          1HD1      LEU  79  -1.486   8.177  -1.023
  560   2HD1  LEU  79          2HD1      LEU  79  -2.967   8.141  -0.047
  561   3HD1  LEU  79          3HD1      LEU  79  -1.418   8.584   0.711
  562   1HD2  LEU  79          1HD2      LEU  79   0.446   6.664   1.012
  563   2HD2  LEU  79          2HD2      LEU  79   0.089   5.044   0.364
  564   3HD2  LEU  79          3HD2      LEU  79   0.306   6.406  -0.745
  565    H    VAL  80           H        VAL  80  -3.568   3.101   1.953
  566    HA   VAL  80           HA       VAL  80  -5.256   3.604   4.293
  567    HB   VAL  80           HB       VAL  80  -5.303   1.548   2.086
  568   1HG1  VAL  80          1HG1      VAL  80  -7.249   0.344   3.099
  569   2HG1  VAL  80          2HG1      VAL  80  -5.792   0.111   4.074
  570   3HG1  VAL  80          3HG1      VAL  80  -7.043   1.250   4.620
  571   1HG2  VAL  80          1HG2      VAL  80  -7.503   3.422   3.180
  572   2HG2  VAL  80          2HG2      VAL  80  -6.493   3.750   1.753
  573   3HG2  VAL  80          3HG2      VAL  80  -7.620   2.386   1.737
  574    H    MET  81           H        MET  81  -2.685   1.310   3.552
  575    HA   MET  81           HA       MET  81  -3.067  -0.455   5.911
  576   1HB   MET  81          1HB       MET  81  -1.924  -1.030   3.612
  577   2HB   MET  81          2HB       MET  81  -1.353  -1.771   5.096
  578   1HG   MET  81          1HG       MET  81   0.281   0.546   4.900
  579   2HG   MET  81          2HG       MET  81   0.092   0.021   3.219
  580   1HE   MET  81          1HE       MET  81   1.985  -0.810   2.409
  581   2HE   MET  81          2HE       MET  81   3.212  -0.627   3.698
  582   3HE   MET  81          3HE       MET  81   2.937  -2.228   2.952
  583    H    MET  82           H        MET  82  -1.122   2.372   5.118
  584    HA   MET  82           HA       MET  82   0.779   2.228   7.367
  585   1HB   MET  82          1HB       MET  82   1.469   4.502   6.773
  586   2HB   MET  82          2HB       MET  82   0.004   4.779   5.849
  587   1HG   MET  82          1HG       MET  82   1.221   2.441   4.660
  588   2HG   MET  82          2HG       MET  82   1.067   4.065   3.971
  589   1HE   MET  82          1HE       MET  82   4.023   1.495   5.406
  590   2HE   MET  82          2HE       MET  82   4.518   2.623   6.703
  591   3HE   MET  82          3HE       MET  82   2.839   2.011   6.648
  592    H    VAL  83           H        VAL  83  -2.233   4.052   6.803
  593    HA   VAL  83           HA       VAL  83  -2.346   5.422   9.397
  594    HB   VAL  83           HB       VAL  83  -4.391   4.938   7.216
  595   1HG1  VAL  83          1HG1      VAL  83  -3.479   7.581   8.514
  596   2HG1  VAL  83          2HG1      VAL  83  -2.676   6.864   7.110
  597   3HG1  VAL  83          3HG1      VAL  83  -4.379   7.364   6.990
  598   1HG2  VAL  83          1HG2      VAL  83  -6.200   6.046   8.423
  599   2HG2  VAL  83          2HG2      VAL  83  -5.664   4.700   9.454
  600   3HG2  VAL  83          3HG2      VAL  83  -5.169   6.354   9.845
  601    NH1  ARG  84           NH1      ARG  84  -8.544  -1.423   8.927
  602    NH2  ARG  84           NH2      ARG  84  -8.949  -0.887   6.757
  603    H    ARG  84           H        ARG  84  -3.444   2.296   8.183
  604    HA   ARG  84           HA       ARG  84  -5.122   1.301  10.303
  605   1HB   ARG  84          1HB       ARG  84  -3.086  -0.571   9.018
  606   2HB   ARG  84          2HB       ARG  84  -4.298   0.201   8.005
  607   1HG   ARG  84          1HG       ARG  84  -4.677  -1.913  10.127
  608   2HG   ARG  84          2HG       ARG  84  -5.962  -0.710  10.005
  609   1HD   ARG  84          1HD       ARG  84  -4.915  -2.192   7.514
  610   2HD   ARG  84          2HD       ARG  84  -6.182  -2.877   8.530
  611    HE   ARG  84           HE       ARG  84  -6.460  -0.415   6.790
  612   1HH1  ARG  84          1HH1      ARG  84  -9.940  -1.004   6.996
  613   2HH1  ARG  84          2HH1      ARG  84  -8.565  -0.593   5.853
  614   1HH2  ARG  84          1HH2      ARG  84  -7.860  -1.721   9.632
  615   2HH2  ARG  84          2HH2      ARG  84  -9.556  -1.310   9.061
  616    H    GLN  85           H        GLN  85  -1.566   0.992   9.963
  617    HA   GLN  85           HA       GLN  85  -1.163  -0.364  12.577
  618   1HB   GLN  85          1HB       GLN  85   1.349   0.686  11.861
  619   2HB   GLN  85          2HB       GLN  85   0.548   0.521  10.308
  620   1HG   GLN  85          1HG       GLN  85   1.876  -1.500  10.869
  621   2HG   GLN  85          2HG       GLN  85   0.977  -1.743  12.352
  622   1HE2  GLN  85          1HE2      GLN  85  -1.681  -3.500  10.700
  623   2HE2  GLN  85          2HE2      GLN  85  -1.078  -2.718  12.247
  624    H    MET  86           H        MET  86  -1.085   2.946  11.392
  625    HA   MET  86           HA       MET  86   0.452   4.315  13.417
  626   1HB   MET  86          1HB       MET  86  -1.890   5.906  12.508
  627   2HB   MET  86          2HB       MET  86  -1.064   5.116  11.178
  628   1HG   MET  86          1HG       MET  86   0.826   6.454  11.345
  629   2HG   MET  86          2HG       MET  86   0.788   6.494  13.115
  630   1HE   MET  86          1HE       MET  86   0.991   9.142  10.626
  631   2HE   MET  86          2HE       MET  86   0.532  10.304  11.906
  632   3HE   MET  86          3HE       MET  86   1.669   8.975  12.277
  633    H    LYS  87           H        LYS  87  -3.051   3.643  13.273
  634    HA   LYS  87           HA       LYS  87  -3.757   4.795  15.908
  635   1HB   LYS  87          1HB       LYS  87  -5.538   4.544  14.288
  636   2HB   LYS  87          2HB       LYS  87  -5.227   2.836  14.058
  637   1HG   LYS  87          1HG       LYS  87  -6.108   2.294  16.290
  638   2HG   LYS  87          2HG       LYS  87  -7.283   3.220  15.378
  639   1HD   LYS  87          1HD       LYS  87  -5.585   5.017  17.037
  640   2HD   LYS  87          2HD       LYS  87  -7.333   4.913  16.897
  641   1HE   LYS  87          1HE       LYS  87  -5.930   2.715  18.472
  642   2HE   LYS  87          2HE       LYS  87  -6.088   4.304  19.224
  643   1HZ   LYS  87          1HZ       LYS  87  -8.537   3.327  18.007
  644   2HZ   LYS  87          2HZ       LYS  87  -7.984   2.387  19.248
  645   3HZ   LYS  87          3HZ       LYS  87  -8.293   3.990  19.501
  646    H    GLU  88           H        GLU  88  -3.031   1.513  14.715
  647    HA   GLU  88           HA       GLU  88  -3.385   0.063  17.257
  648   1HB   GLU  88          1HB       GLU  88  -2.669  -0.623  14.548
  649   2HB   GLU  88          2HB       GLU  88  -1.417  -1.270  15.589
  650   1HG   GLU  88          1HG       GLU  88  -4.410  -1.792  16.113
  651   2HG   GLU  88          2HG       GLU  88  -3.452  -2.800  15.043
  652    H    ASP  89           H        ASP  89  -1.694  -0.823  18.562
  653    HA   ASP  89           HA       ASP  89   1.140  -0.132  18.449
  654   1HB   ASP  89          1HB       ASP  89   0.814   2.137  18.909
  655   2HB   ASP  89          2HB       ASP  89  -0.578   1.870  19.933
  656    H    ALA  90           H        ALA  90   2.242  -0.702  20.487
  657    HA   ALA  90           HA       ALA  90   0.912  -2.118  22.708
  658   1HB   ALA  90          1HB       ALA  90   0.384  -3.983  21.310
  659   2HB   ALA  90          2HB       ALA  90   1.880  -3.849  20.365
  660   3HB   ALA  90          3HB       ALA  90   1.936  -4.484  22.028
   
  Start of MODEL          18
 Raw file had  660 H/Q atoms
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1 -22.348   0.084   2.435
    2   2H    ALA   1          2H        ALA   1 -23.155   1.515   2.800
    3   3H    ALA   1          3H        ALA   1 -23.432   0.744   1.331
    4    HA   ALA   1           HA       ALA   1 -22.008   2.157   0.479
    5   1HB   ALA   1          1HB       ALA   1 -20.166   3.137   2.291
    6   2HB   ALA   1          2HB       ALA   1 -21.769   3.852   2.035
    7   3HB   ALA   1          3HB       ALA   1 -21.499   2.738   3.400
    8    H    SER   2           H        SER   2 -20.434   0.295   3.104
    9    HA   SER   2           HA       SER   2 -18.581  -1.240   3.140
   10   1HB   SER   2          1HB       SER   2 -20.291  -2.176   1.284
   11   2HB   SER   2          2HB       SER   2 -18.947  -1.831   0.193
   12    HG   SER   2           HG       SER   2 -19.119  -3.936   1.397
   13    H    MET   3           H        MET   3 -17.330   0.797   3.387
   14    HA   MET   3           HA       MET   3 -15.436   2.212   2.927
   15   1HB   MET   3          1HB       MET   3 -14.550   0.103   0.889
   16   2HB   MET   3          2HB       MET   3 -13.556   1.249   1.769
   17   1HG   MET   3          1HG       MET   3 -13.502  -0.043   3.721
   18   2HG   MET   3          2HG       MET   3 -15.132  -0.694   3.481
   19   1HE   MET   3          1HE       MET   3 -14.723  -2.757   4.153
   20   2HE   MET   3          2HE       MET   3 -14.859  -3.867   2.757
   21   3HE   MET   3          3HE       MET   3 -13.356  -3.834   3.725
   22    H    THR   4           H        THR   4 -17.081   3.624   2.020
   23    HA   THR   4           HA       THR   4 -17.798   3.724  -0.836
   24    HB   THR   4           HB       THR   4 -19.343   4.802   0.535
   25    HG1  THR   4           HG1      THR   4 -18.884   5.952  -1.324
   26   1HG2  THR   4          1HG2      THR   4 -18.955   6.677   2.090
   27   2HG2  THR   4          2HG2      THR   4 -17.992   5.278   2.616
   28   3HG2  THR   4          3HG2      THR   4 -17.204   6.648   1.791
   29    H    ASP   5           H        ASP   5 -15.200   5.053   1.130
   30    HA   ASP   5           HA       ASP   5 -13.334   5.437  -1.068
   31   1HB   ASP   5          1HB       ASP   5 -13.165   7.923  -1.211
   32   2HB   ASP   5          2HB       ASP   5 -14.642   7.277  -1.890
   33    H    GLN   6           H        GLN   6 -12.890   4.153   1.072
   34    HA   GLN   6           HA       GLN   6 -11.781   5.533   3.442
   35   1HB   GLN   6          1HB       GLN   6 -12.098   2.801   2.592
   36   2HB   GLN   6          2HB       GLN   6 -10.379   3.030   2.857
   37   1HG   GLN   6          1HG       GLN   6 -10.580   3.267   5.146
   38   2HG   GLN   6          2HG       GLN   6 -12.089   4.152   5.060
   39   1HE2  GLN   6          1HE2      GLN   6 -14.109   1.204   5.519
   40   2HE2  GLN   6          2HE2      GLN   6 -14.075   2.965   5.005
   41    H    GLN   7           H        GLN   7 -10.539   4.551   0.283
   42    HA   GLN   7           HA       GLN   7  -7.708   4.878   0.526
   43   1HB   GLN   7          1HB       GLN   7  -9.508   5.568  -1.867
   44   2HB   GLN   7          2HB       GLN   7  -7.757   5.670  -1.926
   45   1HG   GLN   7          1HG       GLN   7  -7.464   3.406  -2.103
   46   2HG   GLN   7          2HG       GLN   7  -8.668   3.026  -0.889
   47   1HE2  GLN   7          1HE2      GLN   7 -11.389   2.909  -3.399
   48   2HE2  GLN   7          2HE2      GLN   7 -11.038   3.445  -1.680
   49    H    ALA   8           H        ALA   8 -10.173   7.372  -0.183
   50    HA   ALA   8           HA       ALA   8  -8.308   9.640  -0.452
   51   1HB   ALA   8          1HB       ALA   8 -10.602  10.957  -0.039
   52   2HB   ALA   8          2HB       ALA   8 -10.311  10.074  -1.551
   53   3HB   ALA   8          3HB       ALA   8 -11.333   9.353  -0.282
   54    H    GLU   9           H        GLU   9 -10.085   8.178   2.212
   55    HA   GLU   9           HA       GLU   9  -9.924  10.361   4.172
   56   1HB   GLU   9          1HB       GLU   9 -11.455   8.240   4.190
   57   2HB   GLU   9          2HB       GLU   9 -10.109   7.418   4.955
   58   1HG   GLU   9          1HG       GLU   9 -11.934   8.390   6.517
   59   2HG   GLU   9          2HG       GLU   9 -10.267   8.712   6.961
   60    H    ALA  10           H        ALA  10  -7.807   7.696   3.256
   61    HA   ALA  10           HA       ALA  10  -5.944   7.692   5.491
   62   1HB   ALA  10          1HB       ALA  10  -4.395   6.474   3.970
   63   2HB   ALA  10          2HB       ALA  10  -6.046   5.836   3.855
   64   3HB   ALA  10          3HB       ALA  10  -5.405   6.882   2.563
   65    NH1  ARG  11           NH1      ARG  11  -6.478  12.005  -3.075
   66    NH2  ARG  11           NH2      ARG  11  -5.445   9.999  -2.805
   67    H    ARG  11           H        ARG  11  -6.008   9.518   2.447
   68    HA   ARG  11           HA       ARG  11  -3.331  10.834   2.775
   69   1HB   ARG  11          1HB       ARG  11  -3.863  10.656   0.508
   70   2HB   ARG  11          2HB       ARG  11  -5.576  10.957   0.759
   71   1HG   ARG  11          1HG       ARG  11  -4.974  13.418   1.331
   72   2HG   ARG  11          2HG       ARG  11  -3.343  13.069   0.754
   73   1HD   ARG  11          1HD       ARG  11  -4.319  13.899  -1.221
   74   2HD   ARG  11          2HD       ARG  11  -5.925  13.282  -0.837
   75    HE   ARG  11           HE       ARG  11  -3.693  11.368  -1.688
   76   1HH1  ARG  11          1HH1      ARG  11  -7.097  11.509  -3.726
   77   2HH1  ARG  11          2HH1      ARG  11  -6.520  12.999  -2.823
   78   1HH2  ARG  11          1HH2      ARG  11  -4.736   9.450  -2.308
   79   2HH2  ARG  11          2HH2      ARG  11  -6.100   9.657  -3.517
   80    H    ALA  12           H        ALA  12  -6.728  11.573   3.385
   81    HA   ALA  12           HA       ALA  12  -6.652  14.368   4.097
   82   1HB   ALA  12          1HB       ALA  12  -8.661  13.941   5.497
   83   2HB   ALA  12          2HB       ALA  12  -8.777  13.104   3.937
   84   3HB   ALA  12          3HB       ALA  12  -8.388  12.184   5.412
   85    H    PHE  13           H        PHE  13  -5.535  11.527   5.839
   86    HA   PHE  13           HA       PHE  13  -5.056  13.066   8.407
   87   1HB   PHE  13          1HB       PHE  13  -4.613  10.065   7.911
   88   2HB   PHE  13          2HB       PHE  13  -6.168  10.732   8.333
   89    HD1  PHE  13           HD1      PHE  13  -3.376   9.130   9.686
   90    HD2  PHE  13           HD2      PHE  13  -5.923  12.493  10.546
   91    HE1  PHE  13           HE1      PHE  13  -2.863   8.921  12.085
   92    HE2  PHE  13           HE2      PHE  13  -5.386  12.276  12.936
   93    HZ   PHE  13           HZ       PHE  13  -3.855  10.498  13.710
   94    H    LEU  14           H        LEU  14  -3.537  13.646   6.017
   95    HA   LEU  14           HA       LEU  14  -0.814  13.731   7.199
   96   1HB   LEU  14          1HB       LEU  14  -0.126  12.648   4.662
   97   2HB   LEU  14          2HB       LEU  14   0.196  11.976   6.246
   98    HG   LEU  14           HG       LEU  14  -2.559  11.381   5.153
   99   1HD1  LEU  14          1HD1      LEU  14  -0.434   9.532   6.415
  100   2HD1  LEU  14          2HD1      LEU  14  -1.656  10.423   7.341
  101   3HD1  LEU  14          3HD1      LEU  14  -2.164   9.171   6.179
  102   1HD2  LEU  14          1HD2      LEU  14  -1.826   9.664   3.552
  103   2HD2  LEU  14          2HD2      LEU  14  -1.046  11.195   3.083
  104   3HD2  LEU  14          3HD2      LEU  14  -0.110   9.956   3.932
  105    H    SER  15           H        SER  15   0.626  15.017   5.838
  106    HA   SER  15           HA       SER  15  -0.798  17.269   4.458
  107   1HB   SER  15          1HB       SER  15   1.980  16.807   5.530
  108   2HB   SER  15          2HB       SER  15   1.827  17.959   4.200
  109    HG   SER  15           HG       SER  15   1.521  18.685   6.458
  110    H    GLU  16           H        GLU  16   0.661  18.125   2.483
  111    HA   GLU  16           HA       GLU  16   0.291  16.145   0.266
  112   1HB   GLU  16          1HB       GLU  16  -0.098  18.841   0.376
  113   2HB   GLU  16          2HB       GLU  16   1.517  18.837  -0.304
  114   1HG   GLU  16          1HG       GLU  16   0.597  17.195  -2.134
  115   2HG   GLU  16          2HG       GLU  16   0.124  18.883  -2.219
  116    H    GLU  17           H        GLU  17   2.909  17.703   2.011
  117    HA   GLU  17           HA       GLU  17   5.095  16.862   0.142
  118   1HB   GLU  17          1HB       GLU  17   5.287  18.086   2.944
  119   2HB   GLU  17          2HB       GLU  17   6.668  17.712   1.931
  120   1HG   GLU  17          1HG       GLU  17   4.537  19.874   1.515
  121   2HG   GLU  17          2HG       GLU  17   5.451  19.295   0.133
  122    H    MET  18           H        MET  18   3.704  15.784   3.209
  123    HA   MET  18           HA       MET  18   5.709  13.801   4.013
  124   1HB   MET  18          1HB       MET  18   3.938  14.667   5.564
  125   2HB   MET  18          2HB       MET  18   2.703  13.824   4.646
  126   1HG   MET  18          1HG       MET  18   4.367  11.680   5.223
  127   2HG   MET  18          2HG       MET  18   2.990  12.176   6.219
  128   1HE   MET  18          1HE       MET  18   5.977  10.753   7.933
  129   2HE   MET  18          2HE       MET  18   4.943  11.508   9.182
  130   3HE   MET  18          3HE       MET  18   4.193  10.697   7.777
  131    H    ILE  19           H        ILE  19   2.857  13.703   1.921
  132    HA   ILE  19           HA       ILE  19   2.830  10.810   1.312
  133    HB   ILE  19           HB       ILE  19   1.694  13.182  -0.249
  134   1HG1  ILE  19          1HG1      ILE  19   0.413  11.108   1.638
  135   2HG1  ILE  19          2HG1      ILE  19   0.434  12.850   1.817
  136   1HG2  ILE  19          1HG2      ILE  19   0.475  11.539  -1.695
  137   2HG2  ILE  19          2HG2      ILE  19   2.217  11.335  -1.873
  138   3HG2  ILE  19          3HG2      ILE  19   1.294  10.182  -0.883
  139   1HD1  ILE  19          1HD1      ILE  19  -1.199  11.354  -0.316
  140   2HD1  ILE  19          2HD1      ILE  19  -1.802  12.191   1.129
  141   3HD1  ILE  19          3HD1      ILE  19  -1.070  13.130  -0.193
  142    H    ALA  20           H        ALA  20   4.346  13.679  -0.154
  143    HA   ALA  20           HA       ALA  20   5.475  12.632  -2.547
  144   1HB   ALA  20          1HB       ALA  20   7.169  14.540  -0.897
  145   2HB   ALA  20          2HB       ALA  20   6.812  14.552  -2.635
  146   3HB   ALA  20          3HB       ALA  20   5.572  15.080  -1.469
  147    H    GLU  21           H        GLU  21   6.566  12.261   0.787
  148    HA   GLU  21           HA       GLU  21   9.256  11.165   0.201
  149   1HB   GLU  21          1HB       GLU  21   7.720  10.910   2.837
  150   2HB   GLU  21          2HB       GLU  21   8.553  12.372   2.346
  151   1HG   GLU  21          1HG       GLU  21   9.702   9.734   3.297
  152   2HG   GLU  21          2HG       GLU  21  10.635  10.571   2.068
  153    H    PHE  22           H        PHE  22   6.088   9.811   1.046
  154    HA   PHE  22           HA       PHE  22   6.740   7.012   1.312
  155   1HB   PHE  22          1HB       PHE  22   4.295   6.612   0.492
  156   2HB   PHE  22          2HB       PHE  22   4.152   8.343   0.329
  157    HD1  PHE  22           HD1      PHE  22   3.167   5.849   2.421
  158    HD2  PHE  22           HD2      PHE  22   5.405   9.515   2.703
  159    HE1  PHE  22           HE1      PHE  22   2.595   6.027   4.806
  160    HE2  PHE  22           HE2      PHE  22   4.761   9.713   5.070
  161    HZ   PHE  22           HZ       PHE  22   3.353   7.977   6.124
  162    H    LYS  23           H        LYS  23   5.638   8.809  -1.574
  163    HA   LYS  23           HA       LYS  23   5.678   6.820  -3.603
  164   1HB   LYS  23          1HB       LYS  23   6.743   9.667  -4.060
  165   2HB   LYS  23          2HB       LYS  23   5.040   9.317  -3.855
  166   1HG   LYS  23          1HG       LYS  23   6.883   8.409  -6.134
  167   2HG   LYS  23          2HG       LYS  23   5.316   7.663  -5.889
  168   1HD   LYS  23          1HD       LYS  23   5.554  10.717  -6.199
  169   2HD   LYS  23          2HD       LYS  23   4.124   9.711  -6.356
  170   1HE   LYS  23          1HE       LYS  23   4.592  10.118  -8.613
  171   2HE   LYS  23          2HE       LYS  23   6.342  10.152  -8.388
  172   1HZ   LYS  23          1HZ       LYS  23   6.420   7.809  -8.354
  173   2HZ   LYS  23          2HZ       LYS  23   4.801   7.629  -8.075
  174   3HZ   LYS  23          3HZ       LYS  23   5.333   8.144  -9.552
  175    H    ALA  24           H        ALA  24   8.398   8.675  -2.266
  176    HA   ALA  24           HA       ALA  24  10.548   8.090  -4.012
  177   1HB   ALA  24          1HB       ALA  24  12.083   8.386  -2.077
  178   2HB   ALA  24          2HB       ALA  24  10.786   9.597  -2.059
  179   3HB   ALA  24          3HB       ALA  24  10.728   8.215  -0.935
  180    H    ALA  25           H        ALA  25   9.969   6.234  -1.004
  181    HA   ALA  25           HA       ALA  25  11.752   4.017  -1.617
  182   1HB   ALA  25          1HB       ALA  25  10.693   2.862   0.316
  183   2HB   ALA  25          2HB       ALA  25  11.059   4.554   0.701
  184   3HB   ALA  25          3HB       ALA  25   9.380   4.064   0.356
  185    H    PHE  26           H        PHE  26   8.350   4.594  -2.294
  186    HA   PHE  26           HA       PHE  26   7.356   1.950  -2.818
  187   1HB   PHE  26          1HB       PHE  26   5.964   4.066  -2.684
  188   2HB   PHE  26          2HB       PHE  26   6.503   4.524  -4.278
  189    HD1  PHE  26           HD1      PHE  26   6.054   2.632  -6.204
  190    HD2  PHE  26           HD2      PHE  26   3.945   2.847  -2.461
  191    HE1  PHE  26           HE1      PHE  26   4.191   1.342  -7.167
  192    HE2  PHE  26           HE2      PHE  26   2.090   1.559  -3.442
  193    HZ   PHE  26           HZ       PHE  26   2.218   0.787  -5.786
  194    H    ASP  27           H        ASP  27   9.230   4.161  -4.828
  195    HA   ASP  27           HA       ASP  27   9.088   2.514  -7.314
  196   1HB   ASP  27          1HB       ASP  27  10.966   4.877  -6.741
  197   2HB   ASP  27          2HB       ASP  27   9.330   5.039  -7.336
  198    H    MET  28           H        MET  28  11.287   2.959  -4.607
  199    HA   MET  28           HA       MET  28  13.725   1.760  -5.483
  200   1HB   MET  28          1HB       MET  28  12.934   2.651  -3.039
  201   2HB   MET  28          2HB       MET  28  12.780   0.931  -2.730
  202   1HG   MET  28          1HG       MET  28  15.138   0.516  -3.063
  203   2HG   MET  28          2HG       MET  28  15.385   2.054  -3.905
  204   1HE   MET  28          1HE       MET  28  16.340   0.618  -0.300
  205   2HE   MET  28          2HE       MET  28  17.146   0.972  -1.856
  206   3HE   MET  28          3HE       MET  28  17.365   2.078  -0.468
  207    H    PHE  29           H        PHE  29  10.761   0.175  -4.316
  208    HA   PHE  29           HA       PHE  29  11.884  -2.614  -4.799
  209   1HB   PHE  29          1HB       PHE  29   9.090  -1.880  -3.720
  210   2HB   PHE  29          2HB       PHE  29   9.801  -3.469  -3.779
  211    HD1  PHE  29           HD1      PHE  29  10.320  -0.096  -2.159
  212    HD2  PHE  29           HD2      PHE  29  11.100  -4.325  -1.958
  213    HE1  PHE  29           HE1      PHE  29  11.308   0.180   0.078
  214    HE2  PHE  29           HE2      PHE  29  12.074  -4.027   0.282
  215    HZ   PHE  29           HZ       PHE  29  12.180  -1.781   1.303
  216    H    ASP  30           H        ASP  30   9.470  -0.325  -5.980
  217    HA   ASP  30           HA       ASP  30   8.231  -2.177  -7.955
  218   1HB   ASP  30          1HB       ASP  30   7.915   0.843  -7.535
  219   2HB   ASP  30          2HB       ASP  30   6.823  -0.429  -7.037
  220    H    ALA  31           H        ALA  31   9.902  -2.955  -9.183
  221    HA   ALA  31           HA       ALA  31  11.864  -1.225 -10.619
  222   1HB   ALA  31          1HB       ALA  31  12.689  -3.368 -11.603
  223   2HB   ALA  31          2HB       ALA  31  12.521  -3.476  -9.840
  224   3HB   ALA  31          3HB       ALA  31  11.315  -4.254 -10.898
  225    H    ASP  32           H        ASP  32   9.559  -3.642 -11.887
  226    HA   ASP  32           HA       ASP  32   8.735  -1.748 -14.135
  227   1HB   ASP  32          1HB       ASP  32   9.019  -4.644 -14.929
  228   2HB   ASP  32          2HB       ASP  32   9.136  -3.191 -15.894
  229    H    GLY  33           H        GLY  33   6.889  -1.402 -12.868
  230   1HA   GLY  33          1HA       GLY  33   4.779  -3.634 -13.030
  231   2HA   GLY  33          2HA       GLY  33   4.906  -2.634 -11.579
  232    H    GLY  34           H        GLY  34   4.920  -0.192 -12.049
  233   1HA   GLY  34          1HA       GLY  34   4.022   1.580 -13.798
  234   2HA   GLY  34          2HA       GLY  34   2.685   0.452 -14.045
  235    H    GLY  35           H        GLY  35   4.327   1.522 -11.066
  236   1HA   GLY  35          1HA       GLY  35   3.473   2.872  -9.189
  237   2HA   GLY  35          2HA       GLY  35   1.950   3.064 -10.064
  238    H    ASP  36           H        ASP  36   3.519  -0.036  -9.524
  239    HA   ASP  36           HA       ASP  36   1.643  -0.878  -7.305
  240   1HB   ASP  36          1HB       ASP  36   1.023  -2.985  -8.838
  241   2HB   ASP  36          2HB       ASP  36   1.335  -1.882 -10.158
  242    H    ILE  37           H        ILE  37   2.221  -2.905  -6.409
  243    HA   ILE  37           HA       ILE  37   4.788  -4.288  -7.269
  244    HB   ILE  37           HB       ILE  37   5.498  -4.138  -4.706
  245   1HG1  ILE  37          1HG1      ILE  37   4.515  -1.250  -4.976
  246   2HG1  ILE  37          2HG1      ILE  37   3.415  -2.453  -4.337
  247   1HG2  ILE  37          1HG2      ILE  37   7.175  -2.402  -5.348
  248   2HG2  ILE  37          2HG2      ILE  37   6.915  -3.525  -6.690
  249   3HG2  ILE  37          3HG2      ILE  37   6.182  -1.904  -6.739
  250   1HD1  ILE  37          1HD1      ILE  37   6.124  -1.747  -3.070
  251   2HD1  ILE  37          2HD1      ILE  37   4.502  -1.354  -2.461
  252   3HD1  ILE  37          3HD1      ILE  37   5.043  -3.048  -2.501
  253    H    SER  38           H        SER  38   5.107  -6.241  -5.874
  254    HA   SER  38           HA       SER  38   2.725  -7.922  -5.649
  255   1HB   SER  38          1HB       SER  38   4.991  -8.851  -5.996
  256   2HB   SER  38          2HB       SER  38   5.495  -8.326  -4.387
  257    HG   SER  38           HG       SER  38   4.865 -10.382  -4.188
  258    H    THR  39           H        THR  39   1.792  -8.808  -3.750
  259    HA   THR  39           HA       THR  39   1.220  -6.801  -1.604
  260    HB   THR  39           HB       THR  39  -0.666  -8.022  -2.449
  261    HG1  THR  39           HG1      THR  39  -1.515  -8.630  -0.545
  262   1HG2  THR  39          1HG2      THR  39  -1.069 -10.428  -2.164
  263   2HG2  THR  39          2HG2      THR  39   0.413 -10.210  -3.123
  264   3HG2  THR  39          3HG2      THR  39   0.521 -10.667  -1.403
  265    H    LYS  40           H        LYS  40   3.060  -9.772  -2.001
  266    HA   LYS  40           HA       LYS  40   3.465 -10.488   0.807
  267   1HB   LYS  40          1HB       LYS  40   4.738 -11.268  -1.811
  268   2HB   LYS  40          2HB       LYS  40   4.027 -12.274  -0.568
  269   1HG   LYS  40          1HG       LYS  40   6.794 -10.935  -0.408
  270   2HG   LYS  40          2HG       LYS  40   6.098 -11.912   0.870
  271   1HD   LYS  40          1HD       LYS  40   5.927 -13.682  -1.307
  272   2HD   LYS  40          2HD       LYS  40   7.349 -12.741  -1.728
  273   1HE   LYS  40          1HE       LYS  40   6.968 -14.620   0.630
  274   2HE   LYS  40          2HE       LYS  40   8.323 -14.509  -0.495
  275   1HZ   LYS  40          1HZ       LYS  40   8.489 -12.123   0.708
  276   2HZ   LYS  40          2HZ       LYS  40   7.818 -12.992   1.942
  277   3HZ   LYS  40          3HZ       LYS  40   9.251 -13.473   1.278
  278    H    GLU  41           H        GLU  41   5.116  -8.321  -1.428
  279    HA   GLU  41           HA       GLU  41   7.399  -7.736   0.444
  280   1HB   GLU  41          1HB       GLU  41   8.413  -6.491  -1.306
  281   2HB   GLU  41          2HB       GLU  41   6.906  -6.243  -2.163
  282   1HG   GLU  41          1HG       GLU  41   6.837  -8.687  -2.794
  283   2HG   GLU  41          2HG       GLU  41   8.304  -8.980  -1.876
  284    H    LEU  42           H        LEU  42   4.395  -6.284  -0.660
  285    HA   LEU  42           HA       LEU  42   4.410  -3.595  -0.048
  286   1HB   LEU  42          1HB       LEU  42   2.364  -4.659  -0.785
  287   2HB   LEU  42          2HB       LEU  42   2.254  -5.652   0.653
  288    HG   LEU  42           HG       LEU  42   1.969  -3.395   1.990
  289   1HD1  LEU  42          1HD1      LEU  42  -0.317  -4.205   0.085
  290   2HD1  LEU  42          2HD1      LEU  42   0.133  -5.128   1.526
  291   3HD1  LEU  42          3HD1      LEU  42  -0.469  -3.461   1.697
  292   1HD2  LEU  42          1HD2      LEU  42   1.073  -1.458   0.748
  293   2HD2  LEU  42          2HD2      LEU  42   2.654  -1.881   0.047
  294   3HD2  LEU  42          3HD2      LEU  42   1.165  -2.340  -0.798
  295    H    GLY  43           H        GLY  43   4.068  -6.200   2.372
  296   1HA   GLY  43          1HA       GLY  43   3.880  -4.648   4.822
  297   2HA   GLY  43          2HA       GLY  43   4.527  -6.290   4.733
  298    H    THR  44           H        THR  44   6.759  -6.140   3.296
  299    HA   THR  44           HA       THR  44   8.794  -5.209   5.016
  300    HB   THR  44           HB       THR  44   9.359  -5.433   2.036
  301    HG1  THR  44           HG1      THR  44   9.647  -7.729   2.742
  302   1HG2  THR  44          1HG2      THR  44  11.457  -6.557   2.803
  303   2HG2  THR  44          2HG2      THR  44  11.345  -4.903   3.441
  304   3HG2  THR  44          3HG2      THR  44  10.994  -6.291   4.502
  305    H    VAL  45           H        VAL  45   7.062  -3.486   2.525
  306    HA   VAL  45           HA       VAL  45   8.967  -1.301   2.015
  307    HB   VAL  45           HB       VAL  45   5.971  -1.483   1.429
  308   1HG1  VAL  45          1HG1      VAL  45   8.333  -1.655  -0.545
  309   2HG1  VAL  45          2HG1      VAL  45   7.546  -3.076   0.153
  310   3HG1  VAL  45          3HG1      VAL  45   6.610  -1.970  -0.877
  311   1HG2  VAL  45          1HG2      VAL  45   6.119   0.494   0.004
  312   2HG2  VAL  45          2HG2      VAL  45   6.757   0.974   1.594
  313   3HG2  VAL  45          3HG2      VAL  45   7.877   0.645   0.264
  314    H    MET  46           H        MET  46   6.398  -1.853   4.351
  315    HA   MET  46           HA       MET  46   6.305   0.977   5.343
  316   1HB   MET  46          1HB       MET  46   4.713  -1.535   5.800
  317   2HB   MET  46          2HB       MET  46   4.839  -0.481   7.197
  318   1HG   MET  46          1HG       MET  46   3.987   1.464   5.672
  319   2HG   MET  46          2HG       MET  46   3.622   0.222   4.462
  320   1HE   MET  46          1HE       MET  46   1.777   0.696   8.685
  321   2HE   MET  46          2HE       MET  46   3.049  -0.559   8.610
  322   3HE   MET  46          3HE       MET  46   3.436   1.129   8.166
  323    NH1  ARG  47           NH1      ARG  47   9.616  -8.292   8.811
  324    NH2  ARG  47           NH2      ARG  47  11.839  -7.920   8.523
  325    H    ARG  47           H        ARG  47   7.323  -2.203   6.623
  326    HA   ARG  47           HA       ARG  47   8.129  -1.141   9.302
  327   1HB   ARG  47          1HB       ARG  47   7.541  -3.307   9.695
  328   2HB   ARG  47          2HB       ARG  47   7.796  -3.791   8.025
  329   1HG   ARG  47          1HG       ARG  47  10.050  -3.482  10.100
  330   2HG   ARG  47          2HG       ARG  47  10.287  -3.953   8.415
  331   1HD   ARG  47          1HD       ARG  47   8.885  -5.550  10.635
  332   2HD   ARG  47          2HD       ARG  47   8.557  -5.918   8.943
  333    HE   ARG  47           HE       ARG  47  11.433  -5.948   9.981
  334   1HH1  ARG  47          1HH1      ARG  47   9.775  -9.165   8.295
  335   2HH1  ARG  47          2HH1      ARG  47   8.730  -7.970   9.216
  336   1HH2  ARG  47          1HH2      ARG  47  12.655  -7.343   8.754
  337   2HH2  ARG  47          2HH2      ARG  47  11.836  -8.793   7.984
  338    H    MET  48           H        MET  48   9.736  -1.848   6.261
  339    HA   MET  48           HA       MET  48  12.456  -2.264   7.259
  340   1HB   MET  48          1HB       MET  48  11.566  -1.247   4.489
  341   2HB   MET  48          2HB       MET  48  11.833  -2.919   4.945
  342   1HG   MET  48          1HG       MET  48  14.341  -1.975   5.528
  343   2HG   MET  48          2HG       MET  48  13.873  -0.770   4.317
  344   1HE   MET  48          1HE       MET  48  13.517  -5.134   4.382
  345   2HE   MET  48          2HE       MET  48  15.208  -5.010   3.814
  346   3HE   MET  48          3HE       MET  48  14.715  -4.195   5.327
  347    H    LEU  49           H        LEU  49  10.725   0.626   6.296
  348    HA   LEU  49           HA       LEU  49  13.040   2.442   7.140
  349   1HB   LEU  49          1HB       LEU  49  11.429   4.134   5.773
  350   2HB   LEU  49          2HB       LEU  49  12.585   3.086   4.955
  351    HG   LEU  49           HG       LEU  49  10.243   3.152   3.927
  352   1HD1  LEU  49          1HD1      LEU  49   9.387   1.459   6.343
  353   2HD1  LEU  49          2HD1      LEU  49   8.965   3.168   6.128
  354   3HD1  LEU  49          3HD1      LEU  49   8.368   1.956   4.967
  355   1HD2  LEU  49          1HD2      LEU  49  10.151   0.783   3.325
  356   2HD2  LEU  49          2HD2      LEU  49  11.869   1.211   3.512
  357   3HD2  LEU  49          3HD2      LEU  49  11.042   0.315   4.795
  358    H    GLY  50           H        GLY  50  11.041   1.122   8.944
  359   1HA   GLY  50          1HA       GLY  50   8.735   2.371   9.825
  360   2HA   GLY  50          2HA       GLY  50   9.897   3.613  10.276
  361    H    GLN  51           H        GLN  51   9.506   0.080  10.649
  362    HA   GLN  51           HA       GLN  51  10.410   0.248  13.574
  363   1HB   GLN  51          1HB       GLN  51   7.900  -1.351  13.062
  364   2HB   GLN  51          2HB       GLN  51   8.438  -0.505  14.502
  365   1HG   GLN  51          1HG       GLN  51   7.721   1.659  13.659
  366   2HG   GLN  51          2HG       GLN  51   7.510   1.058  12.027
  367   1HE2  GLN  51          1HE2      GLN  51   4.035   1.091  13.181
  368   2HE2  GLN  51          2HE2      GLN  51   5.364   2.234  12.639
  369    H    ASN  52           H        ASN  52   9.343  -2.453  14.022
  370    HA   ASN  52           HA       ASN  52  10.841  -4.228  12.089
  371   1HB   ASN  52          1HB       ASN  52  11.601  -4.044  15.056
  372   2HB   ASN  52          2HB       ASN  52  12.547  -3.406  13.728
  373   1HD2  ASN  52          1HD2      ASN  52  13.529  -7.002  14.930
  374   2HD2  ASN  52          2HD2      ASN  52  12.812  -5.614  15.892
  375    HA   PRO  53           HA       PRO  53   6.974  -6.196  14.458
  376   1HB   PRO  53          1HB       PRO  53   5.272  -6.476  12.258
  377   2HB   PRO  53          2HB       PRO  53   5.277  -5.121  13.396
  378   1HG   PRO  53          1HG       PRO  53   5.619  -3.899  11.430
  379   2HG   PRO  53          2HG       PRO  53   6.527  -5.187  10.600
  380   1HD   PRO  53          1HD       PRO  53   8.379  -3.856  11.328
  381   2HD   PRO  53          2HD       PRO  53   7.452  -3.158  12.693
  382    H    THR  54           H        THR  54   5.735  -8.198  12.958
  383    HA   THR  54           HA       THR  54   8.073 -10.107  12.449
  384    HB   THR  54           HB       THR  54   5.926 -10.327  14.312
  385    HG1  THR  54           HG1      THR  54   7.761 -11.152  14.866
  386   1HG2  THR  54          1HG2      THR  54   4.953 -12.547  13.820
  387   2HG2  THR  54          2HG2      THR  54   4.491 -11.394  12.546
  388   3HG2  THR  54          3HG2      THR  54   5.765 -12.602  12.238
  389    H    LYS  55           H        LYS  55   7.307 -12.058  11.112
  390    HA   LYS  55           HA       LYS  55   6.408 -10.960   8.441
  391   1HB   LYS  55          1HB       LYS  55   7.248 -13.860   8.827
  392   2HB   LYS  55          2HB       LYS  55   8.474 -12.622   8.999
  393   1HG   LYS  55          1HG       LYS  55   7.355 -11.836   6.593
  394   2HG   LYS  55          2HG       LYS  55   6.991 -13.549   6.535
  395   1HD   LYS  55          1HD       LYS  55   9.857 -12.636   7.160
  396   2HD   LYS  55          2HD       LYS  55   9.300 -14.188   6.555
  397   1HE   LYS  55          1HE       LYS  55   8.726 -13.219   4.339
  398   2HE   LYS  55          2HE       LYS  55   9.136 -11.593   4.889
  399   1HZ   LYS  55          1HZ       LYS  55  10.912 -13.817   4.202
  400   2HZ   LYS  55          2HZ       LYS  55  11.093 -12.198   3.924
  401   3HZ   LYS  55          3HZ       LYS  55  11.427 -12.822   5.417
  402    H    GLU  56           H        GLU  56   5.475 -13.326  10.895
  403    HA   GLU  56           HA       GLU  56   3.252 -14.642   9.482
  404   1HB   GLU  56          1HB       GLU  56   3.457 -14.329  12.517
  405   2HB   GLU  56          2HB       GLU  56   2.557 -15.537  11.621
  406   1HG   GLU  56          1HG       GLU  56   5.594 -15.413  11.258
  407   2HG   GLU  56          2HG       GLU  56   4.517 -16.782  11.043
  408    H    GLU  57           H        GLU  57   3.602 -11.698  11.378
  409    HA   GLU  57           HA       GLU  57   0.751 -10.956  11.592
  410   1HB   GLU  57          1HB       GLU  57   3.172  -9.077  11.634
  411   2HB   GLU  57          2HB       GLU  57   1.539  -8.659  12.111
  412   1HG   GLU  57          1HG       GLU  57   3.056 -10.933  13.525
  413   2HG   GLU  57          2HG       GLU  57   3.321  -9.254  13.965
  414    H    LEU  58           H        LEU  58   3.305 -10.444   9.203
  415    HA   LEU  58           HA       LEU  58   1.914  -8.579   7.405
  416   1HB   LEU  58          1HB       LEU  58   4.474  -9.541   7.497
  417   2HB   LEU  58          2HB       LEU  58   3.852 -10.597   6.247
  418    HG   LEU  58           HG       LEU  58   4.010  -7.527   6.175
  419   1HD1  LEU  58          1HD1      LEU  58   5.458  -7.935   4.159
  420   2HD1  LEU  58          2HD1      LEU  58   6.139  -8.690   5.608
  421   3HD1  LEU  58          3HD1      LEU  58   5.308  -9.695   4.396
  422   1HD2  LEU  58          1HD2      LEU  58   2.658  -9.336   4.061
  423   2HD2  LEU  58          2HD2      LEU  58   1.824  -8.182   5.131
  424   3HD2  LEU  58          3HD2      LEU  58   2.960  -7.587   3.906
  425    H    ASP  59           H        ASP  59   1.961 -12.079   7.792
  426    HA   ASP  59           HA       ASP  59   0.444 -12.874   5.432
  427   1HB   ASP  59          1HB       ASP  59   1.203 -14.212   7.999
  428   2HB   ASP  59          2HB       ASP  59   1.348 -14.760   6.345
  429    H    ALA  60           H        ALA  60  -0.502 -11.695   8.622
  430    HA   ALA  60           HA       ALA  60  -3.399 -12.074   8.477
  431   1HB   ALA  60          1HB       ALA  60  -3.526 -10.342  10.262
  432   2HB   ALA  60          2HB       ALA  60  -2.252 -11.528  10.602
  433   3HB   ALA  60          3HB       ALA  60  -1.820  -9.906  10.005
  434    H    ILE  61           H        ILE  61  -1.336  -9.263   7.661
  435    HA   ILE  61           HA       ILE  61  -3.260  -7.408   6.723
  436    HB   ILE  61           HB       ILE  61  -0.435  -7.772   5.607
  437   1HG1  ILE  61          1HG1      ILE  61  -0.125  -5.573   7.116
  438   2HG1  ILE  61          2HG1      ILE  61   0.060  -7.173   7.803
  439   1HG2  ILE  61          1HG2      ILE  61  -0.616  -5.412   4.773
  440   2HG2  ILE  61          2HG2      ILE  61  -1.831  -6.436   4.010
  441   3HG2  ILE  61          3HG2      ILE  61  -2.309  -5.330   5.318
  442   1HD1  ILE  61          1HD1      ILE  61  -2.200  -7.129   8.822
  443   2HD1  ILE  61          2HD1      ILE  61  -1.267  -5.694   9.298
  444   3HD1  ILE  61          3HD1      ILE  61  -2.537  -5.550   8.061
  445    H    ILE  62           H        ILE  62  -1.811 -10.218   5.155
  446    HA   ILE  62           HA       ILE  62  -2.854  -9.700   2.409
  447    HB   ILE  62           HB       ILE  62  -1.261 -11.886   3.712
  448   1HG1  ILE  62          1HG1      ILE  62  -0.115 -11.678   1.296
  449   2HG1  ILE  62          2HG1      ILE  62  -1.032 -10.193   1.165
  450   1HG2  ILE  62          1HG2      ILE  62  -1.592 -13.502   1.824
  451   2HG2  ILE  62          2HG2      ILE  62  -3.108 -13.244   2.683
  452   3HG2  ILE  62          3HG2      ILE  62  -2.841 -12.449   1.115
  453   1HD1  ILE  62          1HD1      ILE  62   1.071 -10.734   3.342
  454   2HD1  ILE  62          2HD1      ILE  62   1.197  -9.633   1.955
  455   3HD1  ILE  62          3HD1      ILE  62   0.041  -9.278   3.259
  456    H    GLU  63           H        GLU  63  -3.863 -11.488   5.271
  457    HA   GLU  63           HA       GLU  63  -6.062 -13.021   4.093
  458   1HB   GLU  63          1HB       GLU  63  -6.110 -12.160   7.010
  459   2HB   GLU  63          2HB       GLU  63  -4.859 -13.249   6.445
  460   1HG   GLU  63          1HG       GLU  63  -6.735 -14.820   5.579
  461   2HG   GLU  63          2HG       GLU  63  -7.899 -13.757   6.352
  462    H    GLU  64           H        GLU  64  -5.800  -9.747   5.353
  463    HA   GLU  64           HA       GLU  64  -8.745  -9.252   5.537
  464   1HB   GLU  64          1HB       GLU  64  -6.805  -8.184   6.966
  465   2HB   GLU  64          2HB       GLU  64  -6.647  -7.046   5.642
  466   1HG   GLU  64          1HG       GLU  64  -8.421  -5.817   6.386
  467   2HG   GLU  64          2HG       GLU  64  -9.485  -7.213   6.373
  468    H    VAL  65           H        VAL  65  -6.071  -8.173   3.436
  469    HA   VAL  65           HA       VAL  65  -7.709  -6.422   1.708
  470    HB   VAL  65           HB       VAL  65  -5.693  -6.417   0.161
  471   1HG1  VAL  65          1HG1      VAL  65  -4.314  -4.977   1.673
  472   2HG1  VAL  65          2HG1      VAL  65  -6.043  -4.636   1.880
  473   3HG1  VAL  65          3HG1      VAL  65  -5.178  -5.600   3.101
  474   1HG2  VAL  65          1HG2      VAL  65  -4.316  -8.075   2.386
  475   2HG2  VAL  65          2HG2      VAL  65  -4.613  -8.602   0.711
  476   3HG2  VAL  65          3HG2      VAL  65  -3.494  -7.269   1.028
  477    H    ASP  66           H        ASP  66  -6.730  -9.805   1.684
  478    HA   ASP  66           HA       ASP  66  -7.912 -10.254  -1.094
  479   1HB   ASP  66          1HB       ASP  66  -5.493 -11.062  -0.406
  480   2HB   ASP  66          2HB       ASP  66  -6.312 -12.356   0.435
  481    H    GLU  67           H        GLU  67  -9.793  -9.700   0.664
  482    HA   GLU  67           HA       GLU  67 -11.048 -12.140   1.882
  483   1HB   GLU  67          1HB       GLU  67 -11.373  -9.816   2.815
  484   2HB   GLU  67          2HB       GLU  67 -12.313  -9.391   1.399
  485   1HG   GLU  67          1HG       GLU  67 -13.966  -9.909   3.022
  486   2HG   GLU  67          2HG       GLU  67 -13.921 -11.358   2.032
  487    H    ASP  68           H        ASP  68 -11.679  -9.997  -0.905
  488    HA   ASP  68           HA       ASP  68 -12.554 -12.291  -2.632
  489   1HB   ASP  68          1HB       ASP  68 -14.812 -11.689  -3.073
  490   2HB   ASP  68          2HB       ASP  68 -14.667 -10.120  -2.316
  491    H    GLY  69           H        GLY  69 -10.380 -10.639  -2.790
  492   1HA   GLY  69          1HA       GLY  69 -10.988  -8.733  -5.129
  493   2HA   GLY  69          2HA       GLY  69  -9.643  -8.506  -4.006
  494    H    SER  70           H        SER  70  -7.959 -10.144  -3.956
  495    HA   SER  70           HA       SER  70  -6.255 -11.502  -4.982
  496   1HB   SER  70          1HB       SER  70  -8.397 -12.983  -5.359
  497   2HB   SER  70          2HB       SER  70  -8.284 -12.469  -7.044
  498    HG   SER  70           HG       SER  70  -7.063 -14.411  -6.110
  499    H    GLY  71           H        GLY  71  -5.366  -9.413  -5.577
  500   1HA   GLY  71          1HA       GLY  71  -4.933  -9.089  -8.555
  501   2HA   GLY  71          2HA       GLY  71  -5.767  -7.731  -7.795
  502    H    THR  72           H        THR  72  -4.056  -6.366  -8.259
  503    HA   THR  72           HA       THR  72  -1.393  -6.863  -6.890
  504    HB   THR  72           HB       THR  72  -0.642  -4.809  -8.325
  505    HG1  THR  72           HG1      THR  72  -2.707  -5.711  -9.986
  506   1HG2  THR  72          1HG2      THR  72  -0.098  -7.396  -8.776
  507   2HG2  THR  72          2HG2      THR  72  -1.209  -7.184 -10.148
  508   3HG2  THR  72          3HG2      THR  72   0.255  -6.174 -10.018
  509    H    ILE  73           H        ILE  73  -0.336  -4.937  -5.923
  510    HA   ILE  73           HA       ILE  73  -2.339  -3.392  -4.243
  511    HB   ILE  73           HB       ILE  73   0.463  -4.339  -3.608
  512   1HG1  ILE  73          1HG1      ILE  73  -0.563  -5.324  -1.616
  513   2HG1  ILE  73          2HG1      ILE  73  -1.415  -5.832  -3.064
  514   1HG2  ILE  73          1HG2      ILE  73   0.639  -2.961  -1.569
  515   2HG2  ILE  73          2HG2      ILE  73   0.489  -1.892  -2.970
  516   3HG2  ILE  73          3HG2      ILE  73  -0.913  -2.161  -1.908
  517   1HD1  ILE  73          1HD1      ILE  73  -3.255  -5.379  -1.695
  518   2HD1  ILE  73          2HD1      ILE  73  -2.428  -4.070  -0.824
  519   3HD1  ILE  73          3HD1      ILE  73  -3.078  -3.773  -2.454
  520    H    ASP  74           H        ASP  74  -2.426  -1.248  -4.312
  521    HA   ASP  74           HA       ASP  74  -0.583   0.237  -6.258
  522   1HB   ASP  74          1HB       ASP  74  -2.655   1.926  -6.240
  523   2HB   ASP  74          2HB       ASP  74  -2.569   0.553  -7.321
  524    H    PHE  75           H        PHE  75  -0.557   2.660  -5.757
  525    HA   PHE  75           HA       PHE  75   0.817   3.034  -3.176
  526   1HB   PHE  75          1HB       PHE  75   1.465   4.259  -5.250
  527   2HB   PHE  75          2HB       PHE  75  -0.056   5.113  -5.272
  528    HD1  PHE  75           HD1      PHE  75   1.350   7.248  -5.271
  529    HD2  PHE  75           HD2      PHE  75   1.405   4.546  -1.921
  530    HE1  PHE  75           HE1      PHE  75   2.451   8.963  -3.892
  531    HE2  PHE  75           HE2      PHE  75   2.479   6.287  -0.550
  532    HZ   PHE  75           HZ       PHE  75   2.991   8.497  -1.525
  533    H    GLU  76           H        GLU  76  -2.408   3.686  -4.425
  534    HA   GLU  76           HA       GLU  76  -3.392   5.504  -2.360
  535   1HB   GLU  76          1HB       GLU  76  -4.824   3.699  -4.353
  536   2HB   GLU  76          2HB       GLU  76  -5.730   4.563  -3.127
  537   1HG   GLU  76          1HG       GLU  76  -4.328   6.698  -4.116
  538   2HG   GLU  76          2HG       GLU  76  -4.221   5.663  -5.530
  539    H    GLU  77           H        GLU  77  -3.862   1.991  -2.807
  540    HA   GLU  77           HA       GLU  77  -5.223   1.408  -0.276
  541   1HB   GLU  77          1HB       GLU  77  -3.443  -0.701  -1.514
  542   2HB   GLU  77          2HB       GLU  77  -4.779  -0.094  -2.472
  543   1HG   GLU  77          1HG       GLU  77  -5.068  -1.337   0.341
  544   2HG   GLU  77          2HG       GLU  77  -6.401  -0.753  -0.641
  545    H    PHE  78           H        PHE  78  -1.856   1.819  -1.189
  546    HA   PHE  78           HA       PHE  78  -0.553   0.559   1.094
  547   1HB   PHE  78          1HB       PHE  78   0.863   0.917  -0.750
  548   2HB   PHE  78          2HB       PHE  78   0.350   2.564  -1.007
  549    HD1  PHE  78           HD1      PHE  78   2.246   3.980  -0.750
  550    HD2  PHE  78           HD2      PHE  78   1.687   0.810   2.105
  551    HE1  PHE  78           HE1      PHE  78   4.264   4.700   0.462
  552    HE2  PHE  78           HE2      PHE  78   3.670   1.585   3.340
  553    HZ   PHE  78           HZ       PHE  78   4.961   3.527   2.524
  554    H    LEU  79           H        LEU  79  -1.906   3.766   0.554
  555    HA   LEU  79           HA       LEU  79  -0.902   5.009   3.071
  556   1HB   LEU  79          1HB       LEU  79  -2.091   6.958   2.473
  557   2HB   LEU  79          2HB       LEU  79  -3.346   6.085   1.620
  558    HG   LEU  79           HG       LEU  79  -2.034   5.819  -0.362
  559   1HD1  LEU  79          1HD1      LEU  79  -1.262   8.124  -0.943
  560   2HD1  LEU  79          2HD1      LEU  79  -2.789   8.186  -0.042
  561   3HD1  LEU  79          3HD1      LEU  79  -1.259   8.586   0.778
  562   1HD2  LEU  79          1HD2      LEU  79   0.498   6.598   1.234
  563   2HD2  LEU  79          2HD2      LEU  79   0.101   4.974   0.621
  564   3HD2  LEU  79          3HD2      LEU  79   0.433   6.286  -0.519
  565    H    VAL  80           H        VAL  80  -3.859   3.405   1.969
  566    HA   VAL  80           HA       VAL  80  -5.542   3.680   4.344
  567    HB   VAL  80           HB       VAL  80  -5.450   1.428   2.277
  568   1HG1  VAL  80          1HG1      VAL  80  -7.559   3.655   2.578
  569   2HG1  VAL  80          2HG1      VAL  80  -6.177   3.778   1.481
  570   3HG1  VAL  80          3HG1      VAL  80  -7.379   2.489   1.241
  571   1HG2  VAL  80          1HG2      VAL  80  -7.613   0.608   3.087
  572   2HG2  VAL  80          2HG2      VAL  80  -6.506   0.612   4.479
  573   3HG2  VAL  80          3HG2      VAL  80  -7.718   1.891   4.318
  574    H    MET  81           H        MET  81  -2.771   1.692   3.531
  575    HA   MET  81           HA       MET  81  -2.871  -0.265   5.709
  576   1HB   MET  81          1HB       MET  81  -0.085   0.319   4.957
  577   2HB   MET  81          2HB       MET  81  -1.075   0.368   3.513
  578   1HG   MET  81          1HG       MET  81  -0.237  -1.855   3.690
  579   2HG   MET  81          2HG       MET  81  -1.962  -1.977   4.088
  580   1HE   MET  81          1HE       MET  81   1.365  -3.676   6.496
  581   2HE   MET  81          2HE       MET  81   0.404  -4.317   5.131
  582   3HE   MET  81          3HE       MET  81   1.462  -2.897   4.886
  583    H    MET  82           H        MET  82  -0.331   2.191   5.415
  584    HA   MET  82           HA       MET  82   0.677   2.326   8.012
  585   1HB   MET  82          1HB       MET  82   0.309   4.580   5.981
  586   2HB   MET  82          2HB       MET  82   0.962   4.936   7.570
  587   1HG   MET  82          1HG       MET  82   2.269   2.686   5.962
  588   2HG   MET  82          2HG       MET  82   2.580   4.369   5.509
  589   1HE   MET  82          1HE       MET  82   2.649   6.159   7.422
  590   2HE   MET  82          2HE       MET  82   3.500   5.937   8.979
  591   3HE   MET  82          3HE       MET  82   4.439   6.089   7.465
  592    H    VAL  83           H        VAL  83  -2.141   4.189   6.846
  593    HA   VAL  83           HA       VAL  83  -2.852   5.573   9.283
  594    HB   VAL  83           HB       VAL  83  -4.879   4.595   7.209
  595   1HG1  VAL  83          1HG1      VAL  83  -3.370   7.282   7.129
  596   2HG1  VAL  83          2HG1      VAL  83  -2.901   5.879   6.158
  597   3HG1  VAL  83          3HG1      VAL  83  -4.498   6.625   5.915
  598   1HG2  VAL  83          1HG2      VAL  83  -6.292   6.469   7.879
  599   2HG2  VAL  83          2HG2      VAL  83  -5.847   5.619   9.377
  600   3HG2  VAL  83          3HG2      VAL  83  -5.036   7.134   8.955
  601    NH1  ARG  84           NH1      ARG  84  -6.166  -4.380   6.366
  602    NH2  ARG  84           NH2      ARG  84  -6.906  -2.731   4.990
  603    H    ARG  84           H        ARG  84  -4.043   2.444   8.005
  604    HA   ARG  84           HA       ARG  84  -5.763   1.471  10.028
  605   1HB   ARG  84          1HB       ARG  84  -4.672   0.316   7.807
  606   2HB   ARG  84          2HB       ARG  84  -3.689  -0.488   9.023
  607   1HG   ARG  84          1HG       ARG  84  -5.858  -1.184  10.236
  608   2HG   ARG  84          2HG       ARG  84  -6.760  -0.567   8.851
  609   1HD   ARG  84          1HD       ARG  84  -4.573  -2.740   8.634
  610   2HD   ARG  84          2HD       ARG  84  -6.295  -3.090   8.768
  611    HE   ARG  84           HE       ARG  84  -5.370  -1.338   6.454
  612   1HH1  ARG  84          1HH1      ARG  84  -7.310  -3.490   4.429
  613   2HH1  ARG  84          2HH1      ARG  84  -6.940  -1.727   4.781
  614   1HH2  ARG  84          1HH2      ARG  84  -5.770  -4.633   7.277
  615   2HH2  ARG  84          2HH2      ARG  84  -6.481  -5.026   5.632
  616    H    GLN  85           H        GLN  85  -2.196   1.049   9.995
  617    HA   GLN  85           HA       GLN  85  -1.926  -0.420  12.488
  618   1HB   GLN  85          1HB       GLN  85  -0.152   0.173  10.551
  619   2HB   GLN  85          2HB       GLN  85   0.257   1.505  11.617
  620   1HG   GLN  85          1HG       GLN  85   0.496  -0.335  13.510
  621   2HG   GLN  85          2HG       GLN  85   1.787  -0.084  12.355
  622   1HE2  GLN  85          1HE2      GLN  85  -0.273  -3.668  12.372
  623   2HE2  GLN  85          2HE2      GLN  85  -0.846  -2.217  13.338
  624    H    MET  86           H        MET  86  -1.289   3.046  11.873
  625    HA   MET  86           HA       MET  86  -0.727   3.963  14.511
  626   1HB   MET  86          1HB       MET  86  -1.684   5.300  12.007
  627   2HB   MET  86          2HB       MET  86  -2.094   6.160  13.480
  628   1HG   MET  86          1HG       MET  86   0.628   5.511  13.914
  629   2HG   MET  86          2HG       MET  86   0.563   5.825  12.173
  630   1HE   MET  86          1HE       MET  86   0.162   8.351  15.795
  631   2HE   MET  86          2HE       MET  86   1.106   6.890  15.380
  632   3HE   MET  86          3HE       MET  86   1.728   8.506  14.938
  633    H    LYS  87           H        LYS  87  -3.816   3.223  13.013
  634    HA   LYS  87           HA       LYS  87  -5.660   4.366  14.966
  635   1HB   LYS  87          1HB       LYS  87  -6.126   3.194  12.606
  636   2HB   LYS  87          2HB       LYS  87  -6.317   1.736  13.556
  637   1HG   LYS  87          1HG       LYS  87  -8.515   2.561  13.317
  638   2HG   LYS  87          2HG       LYS  87  -8.042   4.239  13.495
  639   1HD   LYS  87          1HD       LYS  87  -8.186   2.168  15.786
  640   2HD   LYS  87          2HD       LYS  87  -7.588   3.809  15.968
  641   1HE   LYS  87          1HE       LYS  87  -9.950   3.658  16.724
  642   2HE   LYS  87          2HE       LYS  87  -9.804   4.781  15.371
  643   1HZ   LYS  87          1HZ       LYS  87 -11.603   2.832  15.465
  644   2HZ   LYS  87          2HZ       LYS  87 -11.011   3.409  14.035
  645   3HZ   LYS  87          3HZ       LYS  87 -10.414   2.006  14.669
  646    H    GLU  88           H        GLU  88  -4.439   1.006  14.649
  647    HA   GLU  88           HA       GLU  88  -3.870   0.593  17.483
  648   1HB   GLU  88          1HB       GLU  88  -6.661   0.519  16.988
  649   2HB   GLU  88          2HB       GLU  88  -6.202  -1.169  17.101
  650   1HG   GLU  88          1HG       GLU  88  -5.517  -0.987  19.381
  651   2HG   GLU  88          2HG       GLU  88  -5.202   0.737  19.271
  652    H    ASP  89           H        ASP  89  -3.403  -1.696  17.934
  653    HA   ASP  89           HA       ASP  89  -2.905  -3.422  15.460
  654   1HB   ASP  89          1HB       ASP  89  -0.776  -3.798  17.472
  655   2HB   ASP  89          2HB       ASP  89  -0.679  -3.641  15.733
  656    H    ALA  90           H        ALA  90  -3.644  -5.387  15.675
  657    HA   ALA  90           HA       ALA  90  -3.782  -6.881  18.287
  658   1HB   ALA  90          1HB       ALA  90  -6.487  -6.633  16.897
  659   2HB   ALA  90          2HB       ALA  90  -6.119  -6.999  18.594
  660   3HB   ALA  90          3HB       ALA  90  -5.987  -5.326  17.999
   
  Start of MODEL          19
 Raw file had  660 H/Q atoms
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1 -18.832  -1.593   8.269
    2   2H    ALA   1          2H        ALA   1 -17.589  -2.700   8.030
    3   3H    ALA   1          3H        ALA   1 -17.866  -1.489   6.896
    4    HA   ALA   1           HA       ALA   1 -19.116  -4.045   7.252
    5   1HB   ALA   1          1HB       ALA   1 -21.055  -2.989   8.086
    6   2HB   ALA   1          2HB       ALA   1 -20.801  -1.497   7.162
    7   3HB   ALA   1          3HB       ALA   1 -21.400  -2.961   6.341
    8    H    SER   2           H        SER   2 -19.105  -1.009   5.350
    9    HA   SER   2           HA       SER   2 -18.702  -2.587   2.760
   10   1HB   SER   2          1HB       SER   2 -19.835  -0.915   1.585
   11   2HB   SER   2          2HB       SER   2 -20.718  -0.965   3.113
   12    HG   SER   2           HG       SER   2 -20.219   1.131   2.512
   13    H    MET   3           H        MET   3 -17.501   0.135   4.692
   14    HA   MET   3           HA       MET   3 -15.581   1.589   4.488
   15   1HB   MET   3          1HB       MET   3 -13.419   0.455   4.297
   16   2HB   MET   3          2HB       MET   3 -14.485  -0.414   5.385
   17   1HG   MET   3          1HG       MET   3 -13.964  -1.259   2.461
   18   2HG   MET   3          2HG       MET   3 -14.929  -2.157   3.644
   19   1HE   MET   3          1HE       MET   3 -13.616  -4.450   3.884
   20   2HE   MET   3          2HE       MET   3 -12.890  -3.856   2.362
   21   3HE   MET   3          3HE       MET   3 -11.841  -4.522   3.648
   22    H    THR   4           H        THR   4 -17.326   1.703   2.380
   23    HA   THR   4           HA       THR   4 -15.791   1.736  -0.209
   24    HB   THR   4           HB       THR   4 -17.794   2.529  -1.294
   25    HG1  THR   4           HG1      THR   4 -19.069   2.606   1.219
   26   1HG2  THR   4          1HG2      THR   4 -19.457   0.769  -0.824
   27   2HG2  THR   4          2HG2      THR   4 -17.831   0.050  -0.809
   28   3HG2  THR   4          3HG2      THR   4 -18.684   0.363   0.724
   29    H    ASP   5           H        ASP   5 -15.310   3.506   2.364
   30    HA   ASP   5           HA       ASP   5 -14.495   5.967   0.864
   31   1HB   ASP   5          1HB       ASP   5 -17.046   6.141   1.916
   32   2HB   ASP   5          2HB       ASP   5 -16.117   6.732   3.274
   33    H    GLN   6           H        GLN   6 -13.365   3.710   2.399
   34    HA   GLN   6           HA       GLN   6 -12.034   4.934   4.821
   35   1HB   GLN   6          1HB       GLN   6 -12.606   2.327   4.231
   36   2HB   GLN   6          2HB       GLN   6 -10.985   2.396   3.563
   37   1HG   GLN   6          1HG       GLN   6 -10.250   1.887   5.644
   38   2HG   GLN   6          2HG       GLN   6 -10.525   3.570   6.043
   39   1HE2  GLN   6          1HE2      GLN   6 -12.851   0.667   7.777
   40   2HE2  GLN   6          2HE2      GLN   6 -11.521   0.300   6.568
   41    H    GLN   7           H        GLN   7 -11.405   4.236   1.424
   42    HA   GLN   7           HA       GLN   7  -8.575   4.489   1.159
   43   1HB   GLN   7          1HB       GLN   7  -9.325   5.766  -1.149
   44   2HB   GLN   7          2HB       GLN   7  -9.306   4.027  -0.918
   45   1HG   GLN   7          1HG       GLN   7 -11.690   3.891  -0.597
   46   2HG   GLN   7          2HG       GLN   7 -11.856   5.609  -0.294
   47   1HE2  GLN   7          1HE2      GLN   7 -12.066   4.207  -4.136
   48   2HE2  GLN   7          2HE2      GLN   7 -11.795   3.119  -2.683
   49    H    ALA   8           H        ALA   8 -11.025   7.087   1.217
   50    HA   ALA   8           HA       ALA   8  -9.188   9.335   0.727
   51   1HB   ALA   8          1HB       ALA   8 -11.878   9.653   2.137
   52   2HB   ALA   8          2HB       ALA   8 -11.076  10.749   0.996
   53   3HB   ALA   8          3HB       ALA   8 -11.799   9.229   0.411
   54    H    GLU   9           H        GLU   9 -10.498   7.792   3.635
   55    HA   GLU   9           HA       GLU   9  -9.961   9.686   5.692
   56   1HB   GLU   9          1HB       GLU   9  -9.611   6.657   6.001
   57   2HB   GLU   9          2HB       GLU   9  -9.799   7.810   7.307
   58   1HG   GLU   9          1HG       GLU   9 -12.125   8.418   6.271
   59   2HG   GLU   9          2HG       GLU   9 -11.912   7.041   5.203
   60    H    ALA  10           H        ALA  10  -7.731   7.556   3.995
   61    HA   ALA  10           HA       ALA  10  -5.422   7.717   5.775
   62   1HB   ALA  10          1HB       ALA  10  -4.111   6.834   3.851
   63   2HB   ALA  10          2HB       ALA  10  -5.635   5.951   4.054
   64   3HB   ALA  10          3HB       ALA  10  -5.468   7.146   2.743
   65    NH1  ARG  11           NH1      ARG  11  -5.684  14.184  -3.329
   66    NH2  ARG  11           NH2      ARG  11  -4.723  12.194  -3.857
   67    H    ARG  11           H        ARG  11  -6.086   9.417   2.693
   68    HA   ARG  11           HA       ARG  11  -3.686  11.100   2.623
   69   1HB   ARG  11          1HB       ARG  11  -6.334  11.095   1.146
   70   2HB   ARG  11          2HB       ARG  11  -4.692  10.936   0.540
   71   1HG   ARG  11          1HG       ARG  11  -5.831  13.585   1.614
   72   2HG   ARG  11          2HG       ARG  11  -4.245  13.362   0.873
   73   1HD   ARG  11          1HD       ARG  11  -6.884  12.750  -0.609
   74   2HD   ARG  11          2HD       ARG  11  -6.078  14.316  -0.688
   75    HE   ARG  11           HE       ARG  11  -4.248  12.072  -1.421
   76   1HH1  ARG  11          1HH1      ARG  11  -5.788  14.313  -4.341
   77   2HH1  ARG  11          2HH1      ARG  11  -5.952  14.848  -2.594
   78   1HH2  ARG  11          1HH2      ARG  11  -4.254  11.343  -3.525
   79   2HH2  ARG  11          2HH2      ARG  11  -4.897  12.459  -4.832
   80    H    ALA  12           H        ALA  12  -6.895  11.493   4.032
   81    HA   ALA  12           HA       ALA  12  -6.951  14.362   4.513
   82   1HB   ALA  12          1HB       ALA  12  -8.702  13.898   6.216
   83   2HB   ALA  12          2HB       ALA  12  -8.979  12.957   4.737
   84   3HB   ALA  12          3HB       ALA  12  -8.316  12.160   6.186
   85    H    PHE  13           H        PHE  13  -5.451  11.700   6.265
   86    HA   PHE  13           HA       PHE  13  -4.817  13.277   8.723
   87   1HB   PHE  13          1HB       PHE  13  -3.820  10.481   7.914
   88   2HB   PHE  13          2HB       PHE  13  -5.330  10.784   8.731
   89    HD1  PHE  13           HD1      PHE  13  -4.880   9.638  10.825
   90    HD2  PHE  13           HD2      PHE  13  -2.118  12.643   9.457
   91    HE1  PHE  13           HE1      PHE  13  -3.613   9.446  12.926
   92    HE2  PHE  13           HE2      PHE  13  -0.862  12.432  11.561
   93    HZ   PHE  13           HZ       PHE  13  -1.634  10.875  13.318
   94    H    LEU  14           H        LEU  14  -3.046  11.918   5.951
   95    HA   LEU  14           HA       LEU  14  -0.373  12.947   6.770
   96   1HB   LEU  14          1HB       LEU  14  -1.059  12.033   3.934
   97   2HB   LEU  14          2HB       LEU  14   0.489  11.989   4.750
   98    HG   LEU  14           HG       LEU  14  -1.929  10.212   5.460
   99   1HD1  LEU  14          1HD1      LEU  14   0.951  10.011   6.548
  100   2HD1  LEU  14          2HD1      LEU  14  -0.406  10.720   7.443
  101   3HD1  LEU  14          3HD1      LEU  14  -0.439   8.994   7.005
  102   1HD2  LEU  14          1HD2      LEU  14  -0.719   8.348   4.405
  103   2HD2  LEU  14          2HD2      LEU  14  -0.790   9.673   3.217
  104   3HD2  LEU  14          3HD2      LEU  14   0.712   9.367   4.103
  105    H    SER  15           H        SER  15   0.872  14.358   5.262
  106    HA   SER  15           HA       SER  15  -0.753  16.832   4.531
  107   1HB   SER  15          1HB       SER  15   2.265  16.927   4.630
  108   2HB   SER  15          2HB       SER  15   1.410  16.679   6.154
  109    HG   SER  15           HG       SER  15   1.751  18.902   4.843
  110    H    GLU  16           H        GLU  16   1.084  18.042   2.850
  111    HA   GLU  16           HA       GLU  16   0.520  16.641   0.243
  112   1HB   GLU  16          1HB       GLU  16   1.222  19.447   1.048
  113   2HB   GLU  16          2HB       GLU  16   1.830  18.935  -0.514
  114   1HG   GLU  16          1HG       GLU  16  -1.043  19.359   0.383
  115   2HG   GLU  16          2HG       GLU  16  -0.773  18.104  -0.814
  116    H    GLU  17           H        GLU  17   3.274  17.752   2.170
  117    HA   GLU  17           HA       GLU  17   5.342  16.863   0.174
  118   1HB   GLU  17          1HB       GLU  17   5.526  18.923   1.746
  119   2HB   GLU  17          2HB       GLU  17   5.930  17.793   3.023
  120   1HG   GLU  17          1HG       GLU  17   8.019  17.164   1.995
  121   2HG   GLU  17          2HG       GLU  17   7.533  17.740   0.410
  122    H    MET  18           H        MET  18   3.916  15.772   3.207
  123    HA   MET  18           HA       MET  18   5.657  13.547   3.884
  124   1HB   MET  18          1HB       MET  18   3.883  14.419   5.420
  125   2HB   MET  18          2HB       MET  18   2.633  13.776   4.371
  126   1HG   MET  18          1HG       MET  18   2.962  11.556   5.062
  127   2HG   MET  18          2HG       MET  18   4.691  11.779   5.370
  128   1HE   MET  18          1HE       MET  18   5.775  12.222   7.313
  129   2HE   MET  18          2HE       MET  18   5.308  13.884   7.780
  130   3HE   MET  18          3HE       MET  18   5.092  12.539   8.939
  131    H    ILE  19           H        ILE  19   2.960  13.866   1.625
  132    HA   ILE  19           HA       ILE  19   2.675  11.012   0.872
  133    HB   ILE  19           HB       ILE  19   1.758  13.581  -0.497
  134   1HG1  ILE  19          1HG1      ILE  19   0.466  12.887   1.557
  135   2HG1  ILE  19          2HG1      ILE  19  -0.511  12.883   0.104
  136   1HG2  ILE  19          1HG2      ILE  19   0.540  12.200  -2.195
  137   2HG2  ILE  19          2HG2      ILE  19   2.277  11.930  -2.321
  138   3HG2  ILE  19          3HG2      ILE  19   1.254  10.710  -1.530
  139   1HD1  ILE  19          1HD1      ILE  19   0.581  10.346   1.456
  140   2HD1  ILE  19          2HD1      ILE  19  -1.099  10.920   1.413
  141   3HD1  ILE  19          3HD1      ILE  19  -0.315  10.372  -0.088
  142    H    ALA  20           H        ALA  20   4.447  13.817  -0.431
  143    HA   ALA  20           HA       ALA  20   5.539  12.728  -2.846
  144   1HB   ALA  20          1HB       ALA  20   6.425  14.922  -0.953
  145   2HB   ALA  20          2HB       ALA  20   7.553  14.405  -2.221
  146   3HB   ALA  20          3HB       ALA  20   5.941  15.023  -2.663
  147    H    GLU  21           H        GLU  21   6.709  12.481   0.500
  148    HA   GLU  21           HA       GLU  21   9.303  11.222  -0.070
  149   1HB   GLU  21          1HB       GLU  21   9.470  10.780   2.333
  150   2HB   GLU  21          2HB       GLU  21   7.759  11.077   2.571
  151   1HG   GLU  21          1HG       GLU  21   7.996  13.468   2.205
  152   2HG   GLU  21          2HG       GLU  21   9.282  12.983   3.298
  153    H    PHE  22           H        PHE  22   6.060  10.019   0.618
  154    HA   PHE  22           HA       PHE  22   6.662   7.194   1.110
  155   1HB   PHE  22          1HB       PHE  22   4.154   6.941   0.174
  156   2HB   PHE  22          2HB       PHE  22   4.133   8.681   0.276
  157    HD1  PHE  22           HD1      PHE  22   4.297   5.520   2.236
  158    HD2  PHE  22           HD2      PHE  22   4.241   9.815   2.526
  159    HE1  PHE  22           HE1      PHE  22   3.704   5.363   4.617
  160    HE2  PHE  22           HE2      PHE  22   3.715   9.635   4.923
  161    HZ   PHE  22           HZ       PHE  22   3.388   7.415   5.959
  162    H    LYS  23           H        LYS  23   5.711   8.989  -1.820
  163    HA   LYS  23           HA       LYS  23   5.565   6.880  -3.759
  164   1HB   LYS  23          1HB       LYS  23   5.953   8.539  -5.518
  165   2HB   LYS  23          2HB       LYS  23   6.716   9.657  -4.408
  166   1HG   LYS  23          1HG       LYS  23   3.750   8.848  -4.470
  167   2HG   LYS  23          2HG       LYS  23   4.436   9.785  -3.157
  168   1HD   LYS  23          1HD       LYS  23   5.239  11.456  -5.111
  169   2HD   LYS  23          2HD       LYS  23   3.612  11.508  -4.451
  170   1HE   LYS  23          1HE       LYS  23   4.287   9.905  -6.990
  171   2HE   LYS  23          2HE       LYS  23   2.674  10.248  -6.362
  172   1HZ   LYS  23          1HZ       LYS  23   2.802  12.432  -7.067
  173   2HZ   LYS  23          2HZ       LYS  23   4.450  12.518  -7.001
  174   3HZ   LYS  23          3HZ       LYS  23   3.714  11.708  -8.238
  175    H    ALA  24           H        ALA  24   8.383   8.756  -2.652
  176    HA   ALA  24           HA       ALA  24  10.420   7.891  -4.482
  177   1HB   ALA  24          1HB       ALA  24  12.069   8.496  -2.721
  178   2HB   ALA  24          2HB       ALA  24  10.788   9.716  -2.846
  179   3HB   ALA  24          3HB       ALA  24  10.783   8.556  -1.492
  180    H    ALA  25           H        ALA  25   9.513   6.464  -1.329
  181    HA   ALA  25           HA       ALA  25  11.479   4.288  -1.305
  182   1HB   ALA  25          1HB       ALA  25  10.140   3.356   0.574
  183   2HB   ALA  25          2HB       ALA  25  10.403   5.099   0.775
  184   3HB   ALA  25          3HB       ALA  25   8.815   4.496   0.237
  185    H    PHE  26           H        PHE  26   8.213   4.617  -2.574
  186    HA   PHE  26           HA       PHE  26   7.527   1.805  -2.937
  187   1HB   PHE  26          1HB       PHE  26   6.009   3.968  -3.049
  188   2HB   PHE  26          2HB       PHE  26   6.429   4.026  -4.740
  189    HD1  PHE  26           HD1      PHE  26   3.842   3.102  -2.722
  190    HD2  PHE  26           HD2      PHE  26   6.339   1.234  -5.686
  191    HE1  PHE  26           HE1      PHE  26   2.025   1.539  -3.284
  192    HE2  PHE  26           HE2      PHE  26   4.513  -0.325  -6.228
  193    HZ   PHE  26           HZ       PHE  26   2.358  -0.179  -5.030
  194    H    ASP  27           H        ASP  27   9.080   4.213  -5.031
  195    HA   ASP  27           HA       ASP  27   9.215   2.561  -7.466
  196   1HB   ASP  27          1HB       ASP  27  10.976   4.998  -6.843
  197   2HB   ASP  27          2HB       ASP  27   9.323   5.115  -7.401
  198    H    MET  28           H        MET  28  11.250   2.961  -4.651
  199    HA   MET  28           HA       MET  28  13.840   2.128  -5.469
  200   1HB   MET  28          1HB       MET  28  12.408   1.444  -2.844
  201   2HB   MET  28          2HB       MET  28  14.073   0.990  -3.156
  202   1HG   MET  28          1HG       MET  28  13.138   3.920  -3.338
  203   2HG   MET  28          2HG       MET  28  13.703   3.181  -1.831
  204   1HE   MET  28          1HE       MET  28  16.517   1.424  -2.443
  205   2HE   MET  28          2HE       MET  28  17.387   2.920  -1.990
  206   3HE   MET  28          3HE       MET  28  15.841   2.512  -1.189
  207    H    PHE  29           H        PHE  29  10.959   0.158  -4.926
  208    HA   PHE  29           HA       PHE  29  12.431  -2.420  -5.687
  209   1HB   PHE  29          1HB       PHE  29  10.270  -3.586  -4.969
  210   2HB   PHE  29          2HB       PHE  29   9.625  -2.044  -4.477
  211    HD1  PHE  29           HD1      PHE  29  10.422  -0.873  -2.435
  212    HD2  PHE  29           HD2      PHE  29  12.099  -4.671  -3.574
  213    HE1  PHE  29           HE1      PHE  29  11.439  -1.107  -0.206
  214    HE2  PHE  29           HE2      PHE  29  13.102  -4.886  -1.337
  215    HZ   PHE  29           HZ       PHE  29  12.770  -3.113   0.349
  216    H    ASP  30           H        ASP  30   9.808  -0.227  -6.562
  217    HA   ASP  30           HA       ASP  30   8.967  -1.838  -8.963
  218   1HB   ASP  30          1HB       ASP  30   7.950   0.859  -7.907
  219   2HB   ASP  30          2HB       ASP  30   7.200  -0.706  -7.696
  220    H    ALA  31           H        ALA  31  10.966  -1.850 -10.048
  221    HA   ALA  31           HA       ALA  31  12.643   0.360 -10.826
  222   1HB   ALA  31          1HB       ALA  31  13.482  -1.126 -12.650
  223   2HB   ALA  31          2HB       ALA  31  13.332  -1.996 -11.111
  224   3HB   ALA  31          3HB       ALA  31  12.125  -2.250 -12.398
  225    H    ASP  32           H        ASP  32  10.668  -1.309 -13.249
  226    HA   ASP  32           HA       ASP  32   9.435   1.298 -14.220
  227   1HB   ASP  32          1HB       ASP  32   9.954   0.379 -16.679
  228   2HB   ASP  32          2HB       ASP  32  11.283  -0.443 -15.896
  229    H    GLY  33           H        GLY  33   7.396   0.807 -13.821
  230   1HA   GLY  33          1HA       GLY  33   5.882  -1.495 -13.523
  231   2HA   GLY  33          2HA       GLY  33   6.081  -1.512 -15.278
  232    H    GLY  34           H        GLY  34   5.011   0.583 -12.603
  233   1HA   GLY  34          1HA       GLY  34   3.573   2.608 -14.202
  234   2HA   GLY  34          2HA       GLY  34   2.441   1.330 -13.746
  235    H    GLY  35           H        GLY  35   2.765   0.621 -11.338
  236   1HA   GLY  35          1HA       GLY  35   3.622   2.346  -9.186
  237   2HA   GLY  35          2HA       GLY  35   2.023   2.944  -9.642
  238    H    ASP  36           H        ASP  36   3.513  -0.283  -9.306
  239    HA   ASP  36           HA       ASP  36   1.688  -1.134  -7.090
  240   1HB   ASP  36          1HB       ASP  36   0.386  -2.808  -8.175
  241   2HB   ASP  36          2HB       ASP  36   0.177  -1.337  -9.095
  242    H    ILE  37           H        ILE  37   2.273  -3.165  -6.243
  243    HA   ILE  37           HA       ILE  37   4.744  -4.597  -7.289
  244    HB   ILE  37           HB       ILE  37   5.862  -4.543  -5.045
  245   1HG1  ILE  37          1HG1      ILE  37   3.589  -2.666  -4.346
  246   2HG1  ILE  37          2HG1      ILE  37   5.179  -2.130  -3.845
  247   1HG2  ILE  37          1HG2      ILE  37   7.019  -2.365  -5.443
  248   2HG2  ILE  37          2HG2      ILE  37   6.674  -3.163  -6.984
  249   3HG2  ILE  37          3HG2      ILE  37   5.670  -1.792  -6.455
  250   1HD1  ILE  37          1HD1      ILE  37   5.574  -4.164  -2.490
  251   2HD1  ILE  37          2HD1      ILE  37   4.037  -3.398  -2.036
  252   3HD1  ILE  37          3HD1      ILE  37   4.028  -4.864  -3.042
  253    H    SER  38           H        SER  38   5.119  -6.542  -5.790
  254    HA   SER  38           HA       SER  38   2.630  -8.129  -5.564
  255   1HB   SER  38          1HB       SER  38   5.262  -8.792  -5.952
  256   2HB   SER  38          2HB       SER  38   5.114  -9.179  -4.236
  257    HG   SER  38           HG       SER  38   3.654 -10.171  -6.430
  258    H    THR  39           H        THR  39   2.000  -9.251  -3.594
  259    HA   THR  39           HA       THR  39   1.589  -7.386  -1.301
  260    HB   THR  39           HB       THR  39   0.218  -9.168  -0.272
  261    HG1  THR  39           HG1      THR  39   1.623 -10.737  -1.762
  262   1HG2  THR  39          1HG2      THR  39  -1.627  -9.249  -1.892
  263   2HG2  THR  39          2HG2      THR  39  -0.882  -7.635  -1.959
  264   3HG2  THR  39          3HG2      THR  39  -0.544  -8.830  -3.239
  265    H    LYS  40           H        LYS  40   3.592 -10.175  -2.051
  266    HA   LYS  40           HA       LYS  40   4.434 -10.895   0.670
  267   1HB   LYS  40          1HB       LYS  40   5.215 -11.667  -2.105
  268   2HB   LYS  40          2HB       LYS  40   4.956 -12.666  -0.691
  269   1HG   LYS  40          1HG       LYS  40   7.503 -11.047  -1.299
  270   2HG   LYS  40          2HG       LYS  40   7.267 -11.988   0.160
  271   1HD   LYS  40          1HD       LYS  40   6.918 -14.070  -1.433
  272   2HD   LYS  40          2HD       LYS  40   7.504 -13.023  -2.716
  273   1HE   LYS  40          1HE       LYS  40   9.599 -13.736  -2.190
  274   2HE   LYS  40          2HE       LYS  40   9.521 -12.657  -0.796
  275   1HZ   LYS  40          1HZ       LYS  40   9.834 -15.365  -0.712
  276   2HZ   LYS  40          2HZ       LYS  40   9.419 -14.416   0.575
  277   3HZ   LYS  40          3HZ       LYS  40   8.246 -15.193  -0.291
  278    H    GLU  41           H        GLU  41   5.581  -8.610  -1.751
  279    HA   GLU  41           HA       GLU  41   8.123  -7.944  -0.287
  280   1HB   GLU  41          1HB       GLU  41   7.351  -6.162  -2.545
  281   2HB   GLU  41          2HB       GLU  41   8.874  -6.951  -2.184
  282   1HG   GLU  41          1HG       GLU  41   6.584  -7.894  -3.906
  283   2HG   GLU  41          2HG       GLU  41   7.330  -9.156  -2.939
  284    H    LEU  42           H        LEU  42   5.006  -6.415  -1.049
  285    HA   LEU  42           HA       LEU  42   5.159  -3.788  -0.214
  286   1HB   LEU  42          1HB       LEU  42   3.015  -4.342  -0.882
  287   2HB   LEU  42          2HB       LEU  42   2.978  -5.847   0.012
  288    HG   LEU  42           HG       LEU  42   2.849  -4.261   2.176
  289   1HD1  LEU  42          1HD1      LEU  42   0.372  -4.553   0.360
  290   2HD1  LEU  42          2HD1      LEU  42   1.050  -5.880   1.317
  291   3HD1  LEU  42          3HD1      LEU  42   0.399  -4.440   2.139
  292   1HD2  LEU  42          1HD2      LEU  42   1.709  -2.101   1.815
  293   2HD2  LEU  42          2HD2      LEU  42   3.203  -2.107   0.845
  294   3HD2  LEU  42          3HD2      LEU  42   1.638  -2.372   0.055
  295    H    GLY  43           H        GLY  43   4.942  -6.610   1.936
  296   1HA   GLY  43          1HA       GLY  43   4.931  -5.487   4.578
  297   2HA   GLY  43          2HA       GLY  43   5.813  -6.960   4.163
  298    H    THR  44           H        THR  44   7.933  -6.613   3.011
  299    HA   THR  44           HA       THR  44   9.892  -5.478   4.594
  300    HB   THR  44           HB       THR  44   9.938  -5.945   1.597
  301    HG1  THR  44           HG1      THR  44  11.230  -7.599   2.227
  302   1HG2  THR  44          1HG2      THR  44  12.418  -5.633   1.586
  303   2HG2  THR  44          2HG2      THR  44  11.579  -4.095   1.878
  304   3HG2  THR  44          3HG2      THR  44  12.354  -4.956   3.233
  305    H    VAL  45           H        VAL  45   7.867  -3.768   2.316
  306    HA   VAL  45           HA       VAL  45   9.435  -1.323   1.966
  307    HB   VAL  45           HB       VAL  45   6.393  -1.550   1.710
  308   1HG1  VAL  45          1HG1      VAL  45   8.450  -1.951  -0.551
  309   2HG1  VAL  45          2HG1      VAL  45   7.669  -3.290   0.300
  310   3HG1  VAL  45          3HG1      VAL  45   6.680  -2.149  -0.639
  311   1HG2  VAL  45          1HG2      VAL  45   6.482   0.368   0.204
  312   2HG2  VAL  45          2HG2      VAL  45   7.360   0.847   1.675
  313   3HG2  VAL  45          3HG2      VAL  45   8.265   0.398   0.222
  314    H    MET  46           H        MET  46   6.598  -2.027   4.042
  315    HA   MET  46           HA       MET  46   6.578   0.524   5.478
  316   1HB   MET  46          1HB       MET  46   4.524  -0.683   5.487
  317   2HB   MET  46          2HB       MET  46   5.080  -0.657   7.151
  318   1HG   MET  46          1HG       MET  46   5.044  -3.047   5.230
  319   2HG   MET  46          2HG       MET  46   6.072  -3.065   6.672
  320   1HE   MET  46          1HE       MET  46   2.628  -1.725   5.549
  321   2HE   MET  46          2HE       MET  46   1.475  -2.333   6.774
  322   3HE   MET  46          3HE       MET  46   2.528  -0.940   7.157
  323    NH1  ARG  47           NH1      ARG  47  13.950  -4.873   8.612
  324    NH2  ARG  47           NH2      ARG  47  14.441  -6.377  10.243
  325    H    ARG  47           H        ARG  47   8.209  -2.551   6.011
  326    HA   ARG  47           HA       ARG  47   9.023  -2.087   8.846
  327   1HB   ARG  47          1HB       ARG  47   8.755  -4.380   7.559
  328   2HB   ARG  47          2HB       ARG  47  10.369  -4.062   6.939
  329   1HG   ARG  47          1HG       ARG  47   9.537  -4.624   9.816
  330   2HG   ARG  47          2HG       ARG  47  10.998  -3.676   9.531
  331   1HD   ARG  47          1HD       ARG  47  10.451  -6.593   8.820
  332   2HD   ARG  47          2HD       ARG  47  11.560  -5.697   7.784
  333    HE   ARG  47           HE       ARG  47  12.009  -6.194  10.761
  334   1HH1  ARG  47          1HH1      ARG  47  14.965  -4.806   8.477
  335   2HH1  ARG  47          2HH1      ARG  47  13.226  -4.359   8.098
  336   1HH2  ARG  47          1HH2      ARG  47  14.101  -6.936  11.033
  337   2HH2  ARG  47          2HH2      ARG  47  15.415  -6.275   9.935
  338    H    MET  48           H        MET  48  10.363  -1.444   5.661
  339    HA   MET  48           HA       MET  48  13.132  -0.809   6.666
  340   1HB   MET  48          1HB       MET  48  12.075  -0.378   3.815
  341   2HB   MET  48          2HB       MET  48  12.592  -1.948   4.405
  342   1HG   MET  48          1HG       MET  48  14.490   0.469   4.544
  343   2HG   MET  48          2HG       MET  48  14.900  -1.251   4.641
  344   1HE   MET  48          1HE       MET  48  16.443   0.004   1.179
  345   2HE   MET  48          2HE       MET  48  16.492   0.547   2.882
  346   3HE   MET  48          3HE       MET  48  16.772  -1.174   2.488
  347    H    LEU  49           H        LEU  49  10.439   0.795   7.177
  348    HA   LEU  49           HA       LEU  49  11.554   3.585   6.573
  349   1HB   LEU  49          1HB       LEU  49   8.720   2.594   7.194
  350   2HB   LEU  49          2HB       LEU  49   9.153   4.279   7.388
  351    HG   LEU  49           HG       LEU  49   9.628   2.844   4.713
  352   1HD1  LEU  49          1HD1      LEU  49   9.070   5.821   5.303
  353   2HD1  LEU  49          2HD1      LEU  49  10.691   5.132   5.102
  354   3HD1  LEU  49          3HD1      LEU  49   9.545   5.110   3.739
  355   1HD2  LEU  49          1HD2      LEU  49   7.397   3.495   3.910
  356   2HD2  LEU  49          2HD2      LEU  49   7.167   2.565   5.411
  357   3HD2  LEU  49          3HD2      LEU  49   7.022   4.328   5.439
  358    H    GLY  50           H        GLY  50  10.395   1.351   9.052
  359   1HA   GLY  50          1HA       GLY  50  12.121   1.628  11.150
  360   2HA   GLY  50          2HA       GLY  50  11.318   3.194  11.305
  361    H    GLN  51           H        GLN  51  10.086  -0.062  10.531
  362    HA   GLN  51           HA       GLN  51   8.129   0.088  12.900
  363   1HB   GLN  51          1HB       GLN  51   7.832  -1.272  10.166
  364   2HB   GLN  51          2HB       GLN  51   6.855  -1.736  11.548
  365   1HG   GLN  51          1HG       GLN  51   6.313   0.905  11.683
  366   2HG   GLN  51          2HG       GLN  51   6.816   0.894  10.005
  367   1HE2  GLN  51          1HE2      GLN  51   3.057   0.181  10.311
  368   2HE2  GLN  51          2HE2      GLN  51   4.200   1.525  10.816
  369    H    ASN  52           H        ASN  52   7.466  -2.489  13.174
  370    HA   ASN  52           HA       ASN  52   9.862  -4.266  13.383
  371   1HB   ASN  52          1HB       ASN  52   9.808  -2.443  15.357
  372   2HB   ASN  52          2HB       ASN  52   8.680  -3.556  16.099
  373   1HD2  ASN  52          1HD2      ASN  52  11.338  -5.892  16.925
  374   2HD2  ASN  52          2HD2      ASN  52   9.537  -5.543  16.899
  375    HA   PRO  53           HA       PRO  53   5.396  -6.094  14.013
  376   1HB   PRO  53          1HB       PRO  53   4.331  -4.649  12.453
  377   2HB   PRO  53          2HB       PRO  53   4.207  -6.199  11.596
  378   1HG   PRO  53          1HG       PRO  53   5.435  -4.073  10.416
  379   2HG   PRO  53          2HG       PRO  53   5.977  -5.735  10.086
  380   1HD   PRO  53          1HD       PRO  53   7.351  -3.564  11.595
  381   2HD   PRO  53          2HD       PRO  53   8.025  -5.132  11.055
  382    H    THR  54           H        THR  54   4.430  -8.198  13.337
  383    HA   THR  54           HA       THR  54   6.559 -10.281  13.116
  384    HB   THR  54           HB       THR  54   3.695 -11.159  13.043
  385    HG1  THR  54           HG1      THR  54   4.868  -9.675  15.128
  386   1HG2  THR  54          1HG2      THR  54   4.437 -12.769  14.768
  387   2HG2  THR  54          2HG2      THR  54   5.540 -12.832  13.374
  388   3HG2  THR  54          3HG2      THR  54   6.036 -11.994  14.867
  389    H    LYS  55           H        LYS  55   6.518 -11.994  11.565
  390    HA   LYS  55           HA       LYS  55   6.061 -11.106   8.732
  391   1HB   LYS  55          1HB       LYS  55   6.812 -13.969   9.438
  392   2HB   LYS  55          2HB       LYS  55   7.979 -12.709   9.778
  393   1HG   LYS  55          1HG       LYS  55   6.770 -12.708   7.000
  394   2HG   LYS  55          2HG       LYS  55   8.385 -12.257   7.509
  395   1HD   LYS  55          1HD       LYS  55   7.821 -15.181   7.902
  396   2HD   LYS  55          2HD       LYS  55   7.623 -14.648   6.241
  397   1HE   LYS  55          1HE       LYS  55  10.036 -13.440   6.736
  398   2HE   LYS  55          2HE       LYS  55  10.172 -14.776   7.880
  399   1HZ   LYS  55          1HZ       LYS  55  10.911 -15.826   6.031
  400   2HZ   LYS  55          2HZ       LYS  55   9.311 -16.075   5.701
  401   3HZ   LYS  55          3HZ       LYS  55  10.123 -14.837   4.968
  402    H    GLU  56           H        GLU  56   4.559 -13.175  11.150
  403    HA   GLU  56           HA       GLU  56   2.677 -14.524   9.221
  404   1HB   GLU  56          1HB       GLU  56   3.658 -15.775  11.151
  405   2HB   GLU  56          2HB       GLU  56   2.814 -14.730  12.275
  406   1HG   GLU  56          1HG       GLU  56   0.614 -15.593  11.569
  407   2HG   GLU  56          2HG       GLU  56   1.310 -16.431  10.193
  408    H    GLU  57           H        GLU  57   2.718 -11.950  11.620
  409    HA   GLU  57           HA       GLU  57  -0.166 -11.297  11.616
  410   1HB   GLU  57          1HB       GLU  57   0.314  -9.474  12.961
  411   2HB   GLU  57          2HB       GLU  57   1.642 -10.555  13.335
  412   1HG   GLU  57          1HG       GLU  57   3.257  -9.203  12.217
  413   2HG   GLU  57          2HG       GLU  57   2.071  -8.448  11.165
  414    H    LEU  58           H        LEU  58   2.665 -10.127   9.801
  415    HA   LEU  58           HA       LEU  58   1.275  -8.131   8.131
  416   1HB   LEU  58          1HB       LEU  58   3.878  -8.528   8.575
  417   2HB   LEU  58          2HB       LEU  58   3.780  -9.607   7.200
  418    HG   LEU  58           HG       LEU  58   3.447  -7.880   5.645
  419   1HD1  LEU  58          1HD1      LEU  58   4.963  -6.324   7.834
  420   2HD1  LEU  58          2HD1      LEU  58   5.696  -7.612   6.866
  421   3HD1  LEU  58          3HD1      LEU  58   5.113  -6.130   6.068
  422   1HD2  LEU  58          1HD2      LEU  58   2.459  -5.656   6.074
  423   2HD2  LEU  58          2HD2      LEU  58   1.386  -6.888   6.785
  424   3HD2  LEU  58          3HD2      LEU  58   2.458  -5.941   7.833
  425    H    ASP  59           H        ASP  59   1.911 -11.588   7.897
  426    HA   ASP  59           HA       ASP  59   0.887 -12.086   5.192
  427   1HB   ASP  59          1HB       ASP  59   1.225 -13.924   7.611
  428   2HB   ASP  59          2HB       ASP  59   0.417 -14.486   6.166
  429    H    ALA  60           H        ALA  60  -0.612 -11.753   8.367
  430    HA   ALA  60           HA       ALA  60  -3.302 -12.713   7.751
  431   1HB   ALA  60          1HB       ALA  60  -3.999 -11.521   9.823
  432   2HB   ALA  60          2HB       ALA  60  -2.505 -12.442  10.078
  433   3HB   ALA  60          3HB       ALA  60  -2.438 -10.671   9.898
  434    H    ILE  61           H        ILE  61  -2.015  -9.372   7.948
  435    HA   ILE  61           HA       ILE  61  -4.253  -7.841   7.181
  436    HB   ILE  61           HB       ILE  61  -1.300  -7.318   6.688
  437   1HG1  ILE  61          1HG1      ILE  61  -3.225  -6.694   8.858
  438   2HG1  ILE  61          2HG1      ILE  61  -2.516  -5.222   8.231
  439   1HG2  ILE  61          1HG2      ILE  61  -1.833  -5.002   5.885
  440   2HG2  ILE  61          2HG2      ILE  61  -2.476  -6.209   4.774
  441   3HG2  ILE  61          3HG2      ILE  61  -3.573  -5.378   5.900
  442   1HD1  ILE  61          1HD1      ILE  61  -0.206  -5.990   8.698
  443   2HD1  ILE  61          2HD1      ILE  61  -1.214  -6.103  10.156
  444   3HD1  ILE  61          3HD1      ILE  61  -0.819  -7.576   9.240
  445    H    ILE  62           H        ILE  62  -1.985  -9.714   5.231
  446    HA   ILE  62           HA       ILE  62  -2.736  -8.777   2.544
  447    HB   ILE  62           HB       ILE  62  -1.339 -11.311   3.500
  448   1HG1  ILE  62          1HG1      ILE  62   0.497 -10.204   1.880
  449   2HG1  ILE  62          2HG1      ILE  62   0.334  -9.692   3.547
  450   1HG2  ILE  62          1HG2      ILE  62  -0.939 -11.975   1.115
  451   2HG2  ILE  62          2HG2      ILE  62  -2.664 -11.983   1.473
  452   3HG2  ILE  62          3HG2      ILE  62  -1.965 -10.634   0.549
  453   1HD1  ILE  62          1HD1      ILE  62  -0.932  -7.654   2.927
  454   2HD1  ILE  62          2HD1      ILE  62   0.592  -7.746   2.021
  455   3HD1  ILE  62          3HD1      ILE  62  -0.939  -8.152   1.212
  456    H    GLU  63           H        GLU  63  -3.766 -11.547   4.541
  457    HA   GLU  63           HA       GLU  63  -5.605 -12.874   2.832
  458   1HB   GLU  63          1HB       GLU  63  -6.302 -12.483   5.773
  459   2HB   GLU  63          2HB       GLU  63  -4.894 -13.415   5.304
  460   1HG   GLU  63          1HG       GLU  63  -6.634 -15.030   5.624
  461   2HG   GLU  63          2HG       GLU  63  -7.847 -14.050   4.818
  462    H    GLU  64           H        GLU  64  -6.070  -9.919   4.717
  463    HA   GLU  64           HA       GLU  64  -8.981  -9.649   4.199
  464   1HB   GLU  64          1HB       GLU  64  -7.535  -8.679   6.183
  465   2HB   GLU  64          2HB       GLU  64  -7.225  -7.332   5.105
  466   1HG   GLU  64          1HG       GLU  64  -9.917  -8.223   6.283
  467   2HG   GLU  64          2HG       GLU  64  -9.875  -7.189   4.866
  468    H    VAL  65           H        VAL  65  -6.004  -8.310   2.823
  469    HA   VAL  65           HA       VAL  65  -7.556  -6.619   0.827
  470    HB   VAL  65           HB       VAL  65  -4.931  -6.036   0.263
  471   1HG1  VAL  65          1HG1      VAL  65  -4.930  -6.361   3.333
  472   2HG1  VAL  65          2HG1      VAL  65  -4.137  -7.493   2.221
  473   3HG1  VAL  65          3HG1      VAL  65  -3.592  -5.801   2.299
  474   1HG2  VAL  65          1HG2      VAL  65  -5.276  -3.881   1.374
  475   2HG2  VAL  65          2HG2      VAL  65  -6.871  -4.399   0.777
  476   3HG2  VAL  65          3HG2      VAL  65  -6.481  -4.563   2.494
  477    H    ASP  66           H        ASP  66  -7.389  -9.579   0.767
  478    HA   ASP  66           HA       ASP  66  -6.677 -10.007  -2.109
  479   1HB   ASP  66          1HB       ASP  66  -4.451 -10.137  -0.650
  480   2HB   ASP  66          2HB       ASP  66  -5.045 -11.714  -0.185
  481    H    GLU  67           H        GLU  67  -9.040 -10.173  -0.762
  482    HA   GLU  67           HA       GLU  67  -9.761 -12.959   0.056
  483   1HB   GLU  67          1HB       GLU  67 -10.947 -10.620   0.625
  484   2HB   GLU  67          2HB       GLU  67 -11.863 -10.962  -0.829
  485   1HG   GLU  67          1HG       GLU  67 -12.138 -13.403   0.469
  486   2HG   GLU  67          2HG       GLU  67 -11.933 -12.349   1.858
  487    H    ASP  68           H        ASP  68 -10.527 -10.882  -2.760
  488    HA   ASP  68           HA       ASP  68  -9.970 -13.097  -4.700
  489   1HB   ASP  68          1HB       ASP  68 -12.050 -13.638  -5.507
  490   2HB   ASP  68          2HB       ASP  68 -12.447 -13.390  -3.823
  491    H    GLY  69           H        GLY  69 -11.050 -12.103  -6.957
  492   1HA   GLY  69          1HA       GLY  69 -11.135  -9.252  -7.499
  493   2HA   GLY  69          2HA       GLY  69 -10.682 -10.477  -8.689
  494    H    SER  70           H        SER  70  -9.592  -7.956  -6.714
  495    HA   SER  70           HA       SER  70  -7.111  -7.467  -8.023
  496   1HB   SER  70          1HB       SER  70  -6.500  -6.204  -5.782
  497   2HB   SER  70          2HB       SER  70  -7.834  -5.641  -6.794
  498    HG   SER  70           HG       SER  70  -8.580  -5.748  -4.761
  499    H    GLY  71           H        GLY  71  -5.318  -8.601  -8.138
  500   1HA   GLY  71          1HA       GLY  71  -4.637 -10.771  -6.099
  501   2HA   GLY  71          2HA       GLY  71  -3.938 -10.629  -7.715
  502    H    THR  72           H        THR  72  -3.361  -7.840  -7.628
  503    HA   THR  72           HA       THR  72  -0.843  -7.934  -5.951
  504    HB   THR  72           HB       THR  72   0.245  -6.485  -7.401
  505    HG1  THR  72           HG1      THR  72  -2.291  -5.765  -8.405
  506   1HG2  THR  72          1HG2      THR  72   0.282  -8.316  -8.845
  507   2HG2  THR  72          2HG2      THR  72  -1.486  -8.396  -9.010
  508   3HG2  THR  72          3HG2      THR  72  -0.562  -7.152  -9.891
  509    H    ILE  73           H        ILE  73  -0.311  -5.182  -5.846
  510    HA   ILE  73           HA       ILE  73  -2.618  -3.874  -4.446
  511    HB   ILE  73           HB       ILE  73  -1.230  -5.246  -2.735
  512   1HG1  ILE  73          1HG1      ILE  73  -1.695  -2.376  -1.822
  513   2HG1  ILE  73          2HG1      ILE  73  -3.042  -3.312  -2.444
  514   1HG2  ILE  73          1HG2      ILE  73   0.683  -4.163  -1.616
  515   2HG2  ILE  73          2HG2      ILE  73   1.080  -4.400  -3.323
  516   3HG2  ILE  73          3HG2      ILE  73   0.629  -2.781  -2.735
  517   1HD1  ILE  73          1HD1      ILE  73  -3.176  -3.706  -0.101
  518   2HD1  ILE  73          2HD1      ILE  73  -2.373  -5.171  -0.704
  519   3HD1  ILE  73          3HD1      ILE  73  -1.410  -3.896   0.078
  520    H    ASP  74           H        ASP  74  -2.390  -1.604  -4.267
  521    HA   ASP  74           HA       ASP  74  -0.197  -0.350  -6.017
  522   1HB   ASP  74          1HB       ASP  74  -1.598   0.894  -7.216
  523   2HB   ASP  74          2HB       ASP  74  -2.543   1.338  -5.825
  524    H    PHE  75           H        PHE  75  -0.710   2.264  -5.505
  525    HA   PHE  75           HA       PHE  75   0.686   2.539  -2.880
  526   1HB   PHE  75          1HB       PHE  75   0.073   4.595  -5.081
  527   2HB   PHE  75          2HB       PHE  75   1.567   3.721  -4.867
  528    HD1  PHE  75           HD1      PHE  75  -0.466   6.585  -3.729
  529    HD2  PHE  75           HD2      PHE  75   3.046   4.273  -2.812
  530    HE1  PHE  75           HE1      PHE  75   0.475   8.488  -2.485
  531    HE2  PHE  75           HE2      PHE  75   3.950   6.175  -1.535
  532    HZ   PHE  75           HZ       PHE  75   2.657   8.270  -1.344
  533    H    GLU  76           H        GLU  76  -2.472   3.172  -4.250
  534    HA   GLU  76           HA       GLU  76  -3.458   5.177  -2.348
  535   1HB   GLU  76          1HB       GLU  76  -4.412   4.504  -4.689
  536   2HB   GLU  76          2HB       GLU  76  -5.476   5.100  -3.431
  537   1HG   GLU  76          1HG       GLU  76  -6.310   3.074  -4.806
  538   2HG   GLU  76          2HG       GLU  76  -5.093   2.094  -4.005
  539    H    GLU  77           H        GLU  77  -3.893   1.645  -2.568
  540    HA   GLU  77           HA       GLU  77  -5.250   1.252   0.034
  541   1HB   GLU  77          1HB       GLU  77  -3.567  -0.898  -1.321
  542   2HB   GLU  77          2HB       GLU  77  -5.092  -0.384  -2.014
  543   1HG   GLU  77          1HG       GLU  77  -5.008  -2.484  -0.389
  544   2HG   GLU  77          2HG       GLU  77  -4.963  -1.306   0.913
  545    H    PHE  78           H        PHE  78  -1.936   1.633  -1.022
  546    HA   PHE  78           HA       PHE  78  -0.552   0.431   1.259
  547   1HB   PHE  78          1HB       PHE  78   0.836   0.632  -0.599
  548   2HB   PHE  78          2HB       PHE  78   0.252   2.211  -1.050
  549    HD1  PHE  78           HD1      PHE  78   2.183   0.598   1.817
  550    HD2  PHE  78           HD2      PHE  78   1.663   4.103  -0.623
  551    HE1  PHE  78           HE1      PHE  78   4.296   1.521   2.675
  552    HE2  PHE  78           HE2      PHE  78   3.770   5.019   0.260
  553    HZ   PHE  78           HZ       PHE  78   5.061   3.756   1.948
  554    H    LEU  79           H        LEU  79  -1.687   3.721   0.569
  555    HA   LEU  79           HA       LEU  79  -0.493   4.926   3.066
  556   1HB   LEU  79          1HB       LEU  79  -1.753   7.011   2.372
  557   2HB   LEU  79          2HB       LEU  79  -0.519   6.456   1.262
  558    HG   LEU  79           HG       LEU  79  -2.541   5.301  -0.052
  559   1HD1  LEU  79          1HD1      LEU  79  -2.234   8.369  -0.121
  560   2HD1  LEU  79          2HD1      LEU  79  -1.097   7.236  -0.873
  561   3HD1  LEU  79          3HD1      LEU  79  -2.779   7.317  -1.452
  562   1HD2  LEU  79          1HD2      LEU  79  -4.727   6.403   0.165
  563   2HD2  LEU  79          2HD2      LEU  79  -4.267   5.829   1.787
  564   3HD2  LEU  79          3HD2      LEU  79  -4.102   7.544   1.382
  565    H    VAL  80           H        VAL  80  -3.534   3.631   1.872
  566    HA   VAL  80           HA       VAL  80  -5.344   4.448   4.001
  567    HB   VAL  80           HB       VAL  80  -5.657   2.977   1.678
  568   1HG1  VAL  80          1HG1      VAL  80  -7.798   3.120   3.891
  569   2HG1  VAL  80          2HG1      VAL  80  -7.345   4.511   2.896
  570   3HG1  VAL  80          3HG1      VAL  80  -8.048   3.070   2.126
  571   1HG2  VAL  80          1HG2      VAL  80  -6.680   0.806   2.176
  572   2HG2  VAL  80          2HG2      VAL  80  -5.050   0.789   2.890
  573   3HG2  VAL  80          3HG2      VAL  80  -6.463   1.028   3.929
  574    H    MET  81           H        MET  81  -2.977   1.848   3.698
  575    HA   MET  81           HA       MET  81  -3.766   0.311   6.102
  576   1HB   MET  81          1HB       MET  81  -1.723  -1.000   5.776
  577   2HB   MET  81          2HB       MET  81  -1.031   0.217   4.719
  578   1HG   MET  81          1HG       MET  81  -2.004  -0.717   2.879
  579   2HG   MET  81          2HG       MET  81  -3.618  -0.631   3.603
  580   1HE   MET  81          1HE       MET  81  -1.282  -2.616   1.994
  581   2HE   MET  81          2HE       MET  81  -0.299  -3.233   3.355
  582   3HE   MET  81          3HE       MET  81  -1.474  -4.310   2.545
  583    H    MET  82           H        MET  82  -1.241   2.709   5.372
  584    HA   MET  82           HA       MET  82   0.272   2.621   7.832
  585   1HB   MET  82          1HB       MET  82   1.106   4.903   7.275
  586   2HB   MET  82          2HB       MET  82  -0.160   5.104   6.078
  587   1HG   MET  82          1HG       MET  82   1.323   4.306   4.533
  588   2HG   MET  82          2HG       MET  82   1.093   2.700   5.241
  589   1HE   MET  82          1HE       MET  82   2.616   1.367   5.759
  590   2HE   MET  82          2HE       MET  82   4.207   1.801   5.067
  591   3HE   MET  82          3HE       MET  82   4.025   1.620   6.837
  592    H    VAL  83           H        VAL  83  -2.395   4.817   6.911
  593    HA   VAL  83           HA       VAL  83  -2.618   6.314   9.398
  594    HB   VAL  83           HB       VAL  83  -4.524   5.852   7.093
  595   1HG1  VAL  83          1HG1      VAL  83  -6.274   7.291   8.154
  596   2HG1  VAL  83          2HG1      VAL  83  -6.063   5.790   9.066
  597   3HG1  VAL  83          3HG1      VAL  83  -5.365   7.304   9.687
  598   1HG2  VAL  83          1HG2      VAL  83  -3.374   8.443   8.328
  599   2HG2  VAL  83          2HG2      VAL  83  -2.795   7.655   6.843
  600   3HG2  VAL  83          3HG2      VAL  83  -4.423   8.346   6.890
  601    NH1  ARG  84           NH1      ARG  84  -9.000  -1.440   6.598
  602    NH2  ARG  84           NH2      ARG  84  -6.962  -1.847   5.678
  603    H    ARG  84           H        ARG  84  -4.031   3.250   8.310
  604    HA   ARG  84           HA       ARG  84  -5.950   2.733  10.477
  605   1HB   ARG  84          1HB       ARG  84  -4.390   0.537   9.006
  606   2HB   ARG  84          2HB       ARG  84  -5.643   1.478   8.209
  607   1HG   ARG  84          1HG       ARG  84  -5.959  -0.791  10.022
  608   2HG   ARG  84          2HG       ARG  84  -6.794   0.599  10.716
  609   1HD   ARG  84          1HD       ARG  84  -8.233  -0.836   9.146
  610   2HD   ARG  84          2HD       ARG  84  -8.222   0.886   8.769
  611    HE   ARG  84           HE       ARG  84  -6.273   0.131   7.026
  612   1HH1  ARG  84          1HH1      ARG  84  -9.367  -2.061   5.868
  613   2HH1  ARG  84          2HH1      ARG  84  -9.537  -0.983   7.343
  614   1HH2  ARG  84          1HH2      ARG  84  -5.962  -1.619   5.651
  615   2HH2  ARG  84          2HH2      ARG  84  -7.455  -2.521   5.082
  616    H    GLN  85           H        GLN  85  -2.466   2.147  10.127
  617    HA   GLN  85           HA       GLN  85  -2.189   0.430  12.553
  618   1HB   GLN  85          1HB       GLN  85  -0.616   0.822  10.302
  619   2HB   GLN  85          2HB       GLN  85   0.257   1.796  11.472
  620   1HG   GLN  85          1HG       GLN  85   0.100  -0.360  13.040
  621   2HG   GLN  85          2HG       GLN  85   1.338  -0.225  11.809
  622   1HE2  GLN  85          1HE2      GLN  85   0.208  -3.531  10.882
  623   2HE2  GLN  85          2HE2      GLN  85   1.452  -2.556  11.812
  624    H    MET  86           H        MET  86  -1.823   3.840  11.755
  625    HA   MET  86           HA       MET  86  -0.296   4.707  14.125
  626   1HB   MET  86          1HB       MET  86  -1.836   6.158  11.950
  627   2HB   MET  86          2HB       MET  86  -1.494   7.035  13.431
  628   1HG   MET  86          1HG       MET  86   1.035   5.993  12.912
  629   2HG   MET  86          2HG       MET  86   0.400   6.152  11.267
  630   1HE   MET  86          1HE       MET  86   2.949   8.334  11.912
  631   2HE   MET  86          2HE       MET  86   2.027   7.664  10.533
  632   3HE   MET  86          3HE       MET  86   2.053   9.430  10.813
  633    H    LYS  87           H        LYS  87  -3.711   4.314  13.365
  634    HA   LYS  87           HA       LYS  87  -4.949   5.643  15.638
  635   1HB   LYS  87          1HB       LYS  87  -6.044   4.488  13.490
  636   2HB   LYS  87          2HB       LYS  87  -6.150   3.068  14.508
  637   1HG   LYS  87          1HG       LYS  87  -7.288   4.877  16.224
  638   2HG   LYS  87          2HG       LYS  87  -7.621   5.713  14.721
  639   1HD   LYS  87          1HD       LYS  87  -9.555   4.290  15.391
  640   2HD   LYS  87          2HD       LYS  87  -8.893   3.797  13.841
  641   1HE   LYS  87          1HE       LYS  87  -9.422   1.787  15.158
  642   2HE   LYS  87          2HE       LYS  87  -7.677   1.866  14.905
  643   1HZ   LYS  87          1HZ       LYS  87  -8.645   1.392  17.255
  644   2HZ   LYS  87          2HZ       LYS  87  -7.322   2.371  17.125
  645   3HZ   LYS  87          3HZ       LYS  87  -8.816   3.031  17.371
  646    H    GLU  88           H        GLU  88  -3.721   2.326  15.209
  647    HA   GLU  88           HA       GLU  88  -3.154   2.019  18.129
  648   1HB   GLU  88          1HB       GLU  88  -5.430   1.445  18.395
  649   2HB   GLU  88          2HB       GLU  88  -5.502   0.525  16.905
  650   1HG   GLU  88          1HG       GLU  88  -4.291  -1.362  17.882
  651   2HG   GLU  88          2HG       GLU  88  -3.770  -0.418  19.267
  652    H    ASP  89           H        ASP  89  -1.501   0.680  18.409
  653    HA   ASP  89           HA       ASP  89  -0.194  -0.649  16.025
  654   1HB   ASP  89          1HB       ASP  89   1.785  -0.958  17.373
  655   2HB   ASP  89          2HB       ASP  89   0.933  -0.649  18.868
  656    H    ALA  90           H        ALA  90   0.477  -2.855  16.125
  657    HA   ALA  90           HA       ALA  90   0.172  -5.226  16.460
  658   1HB   ALA  90          1HB       ALA  90  -1.175  -4.748  19.160
  659   2HB   ALA  90          2HB       ALA  90  -0.031  -6.017  18.680
  660   3HB   ALA  90          3HB       ALA  90   0.557  -4.366  18.995
   
  Start of MODEL          20
 Raw file had  660 H/Q atoms
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1 -20.492  -3.411  -2.840
    2   2H    ALA   1          2H        ALA   1 -19.008  -4.202  -2.809
    3   3H    ALA   1          3H        ALA   1 -20.084  -4.383  -1.530
    4    HA   ALA   1           HA       ALA   1 -18.321  -2.167  -2.228
    5   1HB   ALA   1          1HB       ALA   1 -20.725  -1.573  -0.442
    6   2HB   ALA   1          2HB       ALA   1 -19.698  -0.448  -1.349
    7   3HB   ALA   1          3HB       ALA   1 -20.906  -1.439  -2.207
    8    H    SER   2           H        SER   2 -16.812  -2.045  -0.700
    9    HA   SER   2           HA       SER   2 -17.198  -3.474   1.991
   10   1HB   SER   2          1HB       SER   2 -14.666  -3.336   0.263
   11   2HB   SER   2          2HB       SER   2 -14.709  -3.951   1.918
   12    HG   SER   2           HG       SER   2 -16.124  -5.534   1.286
   13    H    MET   3           H        MET   3 -14.475  -1.528   0.867
   14    HA   MET   3           HA       MET   3 -15.157   0.731   2.828
   15   1HB   MET   3          1HB       MET   3 -12.494  -0.783   2.638
   16   2HB   MET   3          2HB       MET   3 -12.632   0.806   3.367
   17   1HG   MET   3          1HG       MET   3 -14.579  -0.388   4.843
   18   2HG   MET   3          2HG       MET   3 -12.867  -0.484   5.284
   19   1HE   MET   3          1HE       MET   3 -12.749  -3.152   6.521
   20   2HE   MET   3          2HE       MET   3 -14.327  -2.321   6.654
   21   3HE   MET   3          3HE       MET   3 -14.264  -4.039   6.163
   22    H    THR   4           H        THR   4 -15.903   1.274   0.500
   23    HA   THR   4           HA       THR   4 -13.767   2.219  -1.394
   24    HB   THR   4           HB       THR   4 -16.627   2.926  -1.954
   25    HG1  THR   4           HG1      THR   4 -15.765   0.289  -2.344
   26   1HG2  THR   4          1HG2      THR   4 -16.119   2.138  -4.235
   27   2HG2  THR   4          2HG2      THR   4 -14.879   3.310  -3.737
   28   3HG2  THR   4          3HG2      THR   4 -14.508   1.567  -3.748
   29    H    ASP   5           H        ASP   5 -14.561   3.446   1.406
   30    HA   ASP   5           HA       ASP   5 -14.525   6.365   0.471
   31   1HB   ASP   5          1HB       ASP   5 -15.683   6.853   2.770
   32   2HB   ASP   5          2HB       ASP   5 -16.637   6.338   1.398
   33    H    GLN   6           H        GLN   6 -13.691   4.068   3.054
   34    HA   GLN   6           HA       GLN   6 -11.863   5.521   4.715
   35   1HB   GLN   6          1HB       GLN   6 -12.163   3.362   5.501
   36   2HB   GLN   6          2HB       GLN   6 -12.114   2.637   3.905
   37   1HG   GLN   6          1HG       GLN   6  -9.601   3.716   5.312
   38   2HG   GLN   6          2HG       GLN   6  -9.638   2.810   3.813
   39   1HE2  GLN   6          1HE2      GLN   6 -10.414   0.726   7.352
   40   2HE2  GLN   6          2HE2      GLN   6 -10.889   2.490   7.188
   41    H    GLN   7           H        GLN   7 -11.486   4.367   1.416
   42    HA   GLN   7           HA       GLN   7  -8.672   4.297   0.980
   43   1HB   GLN   7          1HB       GLN   7 -11.041   4.682  -0.758
   44   2HB   GLN   7          2HB       GLN   7  -9.655   5.582  -1.349
   45   1HG   GLN   7          1HG       GLN   7  -8.876   3.701  -2.315
   46   2HG   GLN   7          2HG       GLN   7  -8.538   3.045  -0.727
   47   1HE2  GLN   7          1HE2      GLN   7 -11.124   0.575  -0.977
   48   2HE2  GLN   7          2HE2      GLN   7  -9.863   1.390   0.077
   49    H    ALA   8           H        ALA   8 -10.664   7.155   0.135
   50    HA   ALA   8           HA       ALA   8  -8.441   8.995  -0.243
   51   1HB   ALA   8          1HB       ALA   8 -11.030   9.125  -0.932
   52   2HB   ALA   8          2HB       ALA   8 -11.160  10.089   0.552
   53   3HB   ALA   8          3HB       ALA   8 -10.059  10.606  -0.751
   54    H    GLU   9           H        GLU   9 -10.315   8.085   2.591
   55    HA   GLU   9           HA       GLU   9  -9.946  10.253   4.405
   56   1HB   GLU   9          1HB       GLU   9  -9.947   7.277   5.138
   57   2HB   GLU   9          2HB       GLU   9 -10.094   8.590   6.289
   58   1HG   GLU   9          1HG       GLU   9 -12.103   8.482   3.990
   59   2HG   GLU   9          2HG       GLU   9 -12.248   7.295   5.275
   60    H    ALA  10           H        ALA  10  -7.701   7.671   3.506
   61    HA   ALA  10           HA       ALA  10  -5.659   7.887   5.502
   62   1HB   ALA  10          1HB       ALA  10  -4.101   6.896   3.831
   63   2HB   ALA  10          2HB       ALA  10  -5.677   6.083   3.807
   64   3HB   ALA  10          3HB       ALA  10  -5.250   7.232   2.514
   65    NH1  ARG  11           NH1      ARG  11  -6.950  11.700  -1.710
   66    NH2  ARG  11           NH2      ARG  11  -6.059  11.892  -3.791
   67    H    ARG  11           H        ARG  11  -5.942   9.649   2.409
   68    HA   ARG  11           HA       ARG  11  -3.503  11.232   2.502
   69   1HB   ARG  11          1HB       ARG  11  -6.091  12.283   1.240
   70   2HB   ARG  11          2HB       ARG  11  -5.233  10.912   0.551
   71   1HG   ARG  11          1HG       ARG  11  -3.687  13.488   1.118
   72   2HG   ARG  11          2HG       ARG  11  -3.284  12.186  -0.003
   73   1HD   ARG  11          1HD       ARG  11  -5.861  13.792  -0.442
   74   2HD   ARG  11          2HD       ARG  11  -4.316  14.486  -0.928
   75    HE   ARG  11           HE       ARG  11  -4.013  12.568  -2.543
   76   1HH1  ARG  11          1HH1      ARG  11  -7.750  11.259  -2.178
   77   2HH1  ARG  11          2HH1      ARG  11  -6.832  11.845  -0.701
   78   1HH2  ARG  11          1HH2      ARG  11  -5.272  12.202  -4.372
   79   2HH2  ARG  11          2HH2      ARG  11  -6.911  11.419  -4.111
   80    H    ALA  12           H        ALA  12  -6.712  11.723   3.889
   81    HA   ALA  12           HA       ALA  12  -6.470  14.559   4.634
   82   1HB   ALA  12          1HB       ALA  12  -8.461  14.173   6.070
   83   2HB   ALA  12          2HB       ALA  12  -8.679  13.448   4.465
   84   3HB   ALA  12          3HB       ALA  12  -8.309  12.411   5.865
   85    H    PHE  13           H        PHE  13  -5.519  11.539   6.166
   86    HA   PHE  13           HA       PHE  13  -5.076  12.654   8.887
   87   1HB   PHE  13          1HB       PHE  13  -3.781  10.033   8.107
   88   2HB   PHE  13          2HB       PHE  13  -5.517  10.104   7.951
   89    HD1  PHE  13           HD1      PHE  13  -3.769  12.117  10.590
   90    HD2  PHE  13           HD2      PHE  13  -5.853   8.441   9.766
   91    HE1  PHE  13           HE1      PHE  13  -3.913  11.644  13.001
   92    HE2  PHE  13           HE2      PHE  13  -5.978   7.983  12.179
   93    HZ   PHE  13           HZ       PHE  13  -4.993   9.568  13.799
   94    H    LEU  14           H        LEU  14  -3.136  11.931   6.033
   95    HA   LEU  14           HA       LEU  14  -0.513  12.621   7.416
   96   1HB   LEU  14          1HB       LEU  14   0.624  11.688   5.496
   97   2HB   LEU  14          2HB       LEU  14  -0.820  11.712   4.508
   98    HG   LEU  14           HG       LEU  14  -1.788   9.980   6.307
   99   1HD1  LEU  14          1HD1      LEU  14  -0.900   8.081   4.947
  100   2HD1  LEU  14          2HD1      LEU  14  -1.376   9.431   3.900
  101   3HD1  LEU  14          3HD1      LEU  14   0.349   9.137   4.238
  102   1HD2  LEU  14          1HD2      LEU  14   1.253   9.606   6.731
  103   2HD2  LEU  14          2HD2      LEU  14   0.077  10.127   7.963
  104   3HD2  LEU  14          3HD2      LEU  14  -0.019   8.491   7.293
  105    H    SER  15           H        SER  15   1.005  13.913   5.933
  106    HA   SER  15           HA       SER  15  -0.296  16.553   5.265
  107   1HB   SER  15          1HB       SER  15   2.154  17.308   5.005
  108   2HB   SER  15          2HB       SER  15   2.632  15.701   5.558
  109    HG   SER  15           HG       SER  15   0.881  16.319   7.276
  110    H    GLU  16           H        GLU  16   1.182  17.624   3.346
  111    HA   GLU  16           HA       GLU  16   0.393  16.176   0.827
  112   1HB   GLU  16          1HB       GLU  16   1.813  18.874   0.910
  113   2HB   GLU  16          2HB       GLU  16   0.117  18.735   1.331
  114   1HG   GLU  16          1HG       GLU  16  -0.042  19.286  -0.940
  115   2HG   GLU  16          2HG       GLU  16   1.455  18.477  -1.371
  116    H    GLU  17           H        GLU  17   3.299  17.262   2.517
  117    HA   GLU  17           HA       GLU  17   5.216  16.324   0.392
  118   1HB   GLU  17          1HB       GLU  17   5.904  17.283   3.218
  119   2HB   GLU  17          2HB       GLU  17   7.023  17.041   1.891
  120   1HG   GLU  17          1HG       GLU  17   6.782  19.283   1.507
  121   2HG   GLU  17          2HG       GLU  17   5.266  18.867   0.725
  122    H    MET  18           H        MET  18   3.913  15.258   3.487
  123    HA   MET  18           HA       MET  18   5.631  13.038   4.203
  124   1HB   MET  18          1HB       MET  18   3.720  13.919   5.620
  125   2HB   MET  18          2HB       MET  18   2.580  13.138   4.539
  126   1HG   MET  18          1HG       MET  18   4.112  10.934   5.153
  127   2HG   MET  18          2HG       MET  18   2.698  11.439   6.092
  128   1HE   MET  18          1HE       MET  18   6.228  10.103   7.007
  129   2HE   MET  18          2HE       MET  18   5.501  10.208   8.637
  130   3HE   MET  18          3HE       MET  18   4.528   9.599   7.266
  131    H    ILE  19           H        ILE  19   3.010  13.335   1.846
  132    HA   ILE  19           HA       ILE  19   2.752  10.494   1.094
  133    HB   ILE  19           HB       ILE  19   1.868  13.080  -0.229
  134   1HG1  ILE  19          1HG1      ILE  19  -0.309  12.498   0.392
  135   2HG1  ILE  19          2HG1      ILE  19  -0.038  10.777   0.215
  136   1HG2  ILE  19          1HG2      ILE  19   0.870  11.816  -2.147
  137   2HG2  ILE  19          2HG2      ILE  19   2.624  11.638  -2.145
  138   3HG2  ILE  19          3HG2      ILE  19   1.604  10.303  -1.562
  139   1HD1  ILE  19          1HD1      ILE  19   0.858  12.423   2.653
  140   2HD1  ILE  19          2HD1      ILE  19  -0.460  11.236   2.565
  141   3HD1  ILE  19          3HD1      ILE  19   1.228  10.696   2.400
  142    H    ALA  20           H        ALA  20   4.562  13.260  -0.263
  143    HA   ALA  20           HA       ALA  20   5.765  12.038  -2.558
  144   1HB   ALA  20          1HB       ALA  20   5.972  14.396  -2.363
  145   2HB   ALA  20          2HB       ALA  20   6.713  14.320  -0.753
  146   3HB   ALA  20          3HB       ALA  20   7.646  13.819  -2.186
  147    H    GLU  21           H        GLU  21   6.656  11.862   0.847
  148    HA   GLU  21           HA       GLU  21   9.369  10.754   0.530
  149   1HB   GLU  21          1HB       GLU  21   9.504  10.603   2.853
  150   2HB   GLU  21          2HB       GLU  21   7.800  10.256   3.070
  151   1HG   GLU  21          1HG       GLU  21   8.542  13.014   1.995
  152   2HG   GLU  21          2HG       GLU  21   7.163  12.541   2.973
  153    H    PHE  22           H        PHE  22   6.146   9.374   1.012
  154    HA   PHE  22           HA       PHE  22   6.892   6.564   1.446
  155   1HB   PHE  22          1HB       PHE  22   4.475   6.099   0.606
  156   2HB   PHE  22          2HB       PHE  22   4.287   7.821   0.407
  157    HD1  PHE  22           HD1      PHE  22   2.578   8.179   2.111
  158    HD2  PHE  22           HD2      PHE  22   6.282   6.286   3.219
  159    HE1  PHE  22           HE1      PHE  22   1.885   8.181   4.470
  160    HE2  PHE  22           HE2      PHE  22   5.579   6.317   5.577
  161    HZ   PHE  22           HZ       PHE  22   3.404   7.304   6.212
  162    H    LYS  23           H        LYS  23   5.770   8.332  -1.451
  163    HA   LYS  23           HA       LYS  23   5.945   6.382  -3.504
  164   1HB   LYS  23          1HB       LYS  23   5.328   8.958  -3.634
  165   2HB   LYS  23          2HB       LYS  23   7.018   9.206  -4.018
  166   1HG   LYS  23          1HG       LYS  23   6.857   8.060  -6.107
  167   2HG   LYS  23          2HG       LYS  23   5.422   7.168  -5.640
  168   1HD   LYS  23          1HD       LYS  23   5.363  10.229  -6.025
  169   2HD   LYS  23          2HD       LYS  23   3.997   9.138  -5.864
  170   1HE   LYS  23          1HE       LYS  23   4.159   9.712  -8.216
  171   2HE   LYS  23          2HE       LYS  23   5.886   9.356  -8.286
  172   1HZ   LYS  23          1HZ       LYS  23   5.474   7.085  -8.279
  173   2HZ   LYS  23          2HZ       LYS  23   3.999   7.202  -7.542
  174   3HZ   LYS  23          3HZ       LYS  23   4.166   7.628  -9.130
  175    H    ALA  24           H        ALA  24   8.562   8.288  -2.045
  176    HA   ALA  24           HA       ALA  24  10.785   7.825  -3.725
  177   1HB   ALA  24          1HB       ALA  24  12.244   8.097  -1.729
  178   2HB   ALA  24          2HB       ALA  24  10.908   9.264  -1.711
  179   3HB   ALA  24          3HB       ALA  24  10.858   7.839  -0.642
  180    H    ALA  25           H        ALA  25   9.938   5.780  -0.907
  181    HA   ALA  25           HA       ALA  25  11.913   3.650  -1.479
  182   1HB   ALA  25          1HB       ALA  25  10.799   2.410   0.369
  183   2HB   ALA  25          2HB       ALA  25  11.132   4.089   0.832
  184   3HB   ALA  25          3HB       ALA  25   9.473   3.596   0.409
  185    H    PHE  26           H        PHE  26   8.528   4.216  -2.248
  186    HA   PHE  26           HA       PHE  26   7.627   1.539  -2.923
  187   1HB   PHE  26          1HB       PHE  26   6.235   3.735  -2.657
  188   2HB   PHE  26          2HB       PHE  26   6.615   4.077  -4.325
  189    HD1  PHE  26           HD1      PHE  26   3.834   3.463  -2.928
  190    HD2  PHE  26           HD2      PHE  26   6.508   1.031  -5.260
  191    HE1  PHE  26           HE1      PHE  26   1.948   2.046  -3.633
  192    HE2  PHE  26           HE2      PHE  26   4.611  -0.380  -5.947
  193    HZ   PHE  26           HZ       PHE  26   2.324   0.159  -5.185
  194    H    ASP  27           H        ASP  27   9.478   3.954  -4.699
  195    HA   ASP  27           HA       ASP  27   9.260   2.692  -7.374
  196   1HB   ASP  27          1HB       ASP  27  11.413   4.720  -6.574
  197   2HB   ASP  27          2HB       ASP  27   9.756   5.193  -6.865
  198    H    MET  28           H        MET  28  11.588   2.641  -4.715
  199    HA   MET  28           HA       MET  28  13.894   1.441  -5.921
  200   1HB   MET  28          1HB       MET  28  14.175   0.232  -3.556
  201   2HB   MET  28          2HB       MET  28  12.806   1.223  -3.086
  202   1HG   MET  28          1HG       MET  28  14.278   3.253  -4.083
  203   2HG   MET  28          2HG       MET  28  14.557   2.629  -2.449
  204   1HE   MET  28          1HE       MET  28  16.523   1.131  -1.674
  205   2HE   MET  28          2HE       MET  28  16.062  -0.188  -2.789
  206   3HE   MET  28          3HE       MET  28  17.750   0.399  -2.756
  207    H    PHE  29           H        PHE  29  10.943  -0.092  -4.674
  208    HA   PHE  29           HA       PHE  29  11.869  -2.894  -5.368
  209   1HB   PHE  29          1HB       PHE  29   9.496  -3.538  -4.524
  210   2HB   PHE  29          2HB       PHE  29   9.269  -1.866  -4.088
  211    HD1  PHE  29           HD1      PHE  29  12.576  -3.603  -3.664
  212    HD2  PHE  29           HD2      PHE  29   9.019  -2.189  -1.693
  213    HE1  PHE  29           HE1      PHE  29  13.651  -3.916  -1.472
  214    HE2  PHE  29           HE2      PHE  29  10.106  -2.531   0.488
  215    HZ   PHE  29           HZ       PHE  29  12.420  -3.383   0.603
  216    H    ASP  30           H        ASP  30   9.647  -0.385  -6.465
  217    HA   ASP  30           HA       ASP  30   8.207  -2.033  -8.480
  218   1HB   ASP  30          1HB       ASP  30   8.270   0.969  -7.923
  219   2HB   ASP  30          2HB       ASP  30   6.972  -0.171  -7.653
  220    H    ALA  31           H        ALA  31   9.403  -2.942  -9.993
  221    HA   ALA  31           HA       ALA  31  11.858  -1.832 -11.202
  222   1HB   ALA  31          1HB       ALA  31  11.751  -3.818 -12.714
  223   2HB   ALA  31          2HB       ALA  31  11.505  -4.271 -11.017
  224   3HB   ALA  31          3HB       ALA  31  10.116  -4.210 -12.132
  225    H    ASP  32           H        ASP  32   8.841  -2.759 -12.867
  226    HA   ASP  32           HA       ASP  32   8.627  -0.126 -14.324
  227   1HB   ASP  32          1HB       ASP  32   8.914  -0.854 -16.550
  228   2HB   ASP  32          2HB       ASP  32   8.766  -2.550 -16.150
  229    H    GLY  33           H        GLY  33   6.577   0.374 -14.337
  230   1HA   GLY  33          1HA       GLY  33   4.444  -1.211 -13.168
  231   2HA   GLY  33          2HA       GLY  33   4.311  -1.438 -14.914
  232    H    GLY  34           H        GLY  34   4.580   1.107 -12.436
  233   1HA   GLY  34          1HA       GLY  34   4.017   3.540 -13.738
  234   2HA   GLY  34          2HA       GLY  34   2.436   2.753 -13.775
  235    H    GLY  35           H        GLY  35   2.757   1.324 -11.284
  236   1HA   GLY  35          1HA       GLY  35   3.469   2.801  -8.917
  237   2HA   GLY  35          2HA       GLY  35   1.861   3.399  -9.341
  238    H    ASP  36           H        ASP  36   3.602   0.300  -9.046
  239    HA   ASP  36           HA       ASP  36   1.602  -0.892  -7.176
  240   1HB   ASP  36          1HB       ASP  36   0.849  -2.767  -8.627
  241   2HB   ASP  36          2HB       ASP  36   0.243  -1.209  -9.140
  242    H    ILE  37           H        ILE  37   2.282  -2.930  -6.401
  243    HA   ILE  37           HA       ILE  37   4.967  -4.084  -7.234
  244    HB   ILE  37           HB       ILE  37   5.892  -4.018  -4.924
  245   1HG1  ILE  37          1HG1      ILE  37   3.343  -2.542  -4.285
  246   2HG1  ILE  37          2HG1      ILE  37   4.786  -1.753  -3.684
  247   1HG2  ILE  37          1HG2      ILE  37   6.803  -1.698  -5.091
  248   2HG2  ILE  37          2HG2      ILE  37   6.674  -2.420  -6.701
  249   3HG2  ILE  37          3HG2      ILE  37   5.475  -1.215  -6.173
  250   1HD1  ILE  37          1HD1      ILE  37   5.470  -3.734  -2.367
  251   2HD1  ILE  37          2HD1      ILE  37   3.801  -3.268  -1.975
  252   3HD1  ILE  37          3HD1      ILE  37   4.102  -4.675  -3.021
  253    H    SER  38           H        SER  38   5.380  -6.007  -5.638
  254    HA   SER  38           HA       SER  38   3.058  -7.858  -5.692
  255   1HB   SER  38          1HB       SER  38   5.248  -8.813  -3.991
  256   2HB   SER  38          2HB       SER  38   5.887  -8.128  -5.487
  257    HG   SER  38           HG       SER  38   5.378 -10.166  -5.950
  258    H    THR  39           H        THR  39   1.973  -8.735  -3.949
  259    HA   THR  39           HA       THR  39   1.370  -6.899  -1.681
  260    HB   THR  39           HB       THR  39  -0.379  -8.293  -2.847
  261    HG1  THR  39           HG1      THR  39  -0.408  -7.330  -0.655
  262   1HG2  THR  39          1HG2      THR  39  -0.849 -10.590  -2.115
  263   2HG2  THR  39          2HG2      THR  39   0.766 -10.550  -2.858
  264   3HG2  THR  39          3HG2      THR  39   0.600 -10.624  -1.084
  265    H    LYS  40           H        LYS  40   3.237  -9.834  -2.193
  266    HA   LYS  40           HA       LYS  40   3.568 -10.825   0.497
  267   1HB   LYS  40          1HB       LYS  40   4.779 -11.350  -2.083
  268   2HB   LYS  40          2HB       LYS  40   4.685 -12.392  -0.679
  269   1HG   LYS  40          1HG       LYS  40   6.880 -10.268  -1.042
  270   2HG   LYS  40          2HG       LYS  40   6.829 -11.507   0.197
  271   1HD   LYS  40          1HD       LYS  40   7.487 -13.241  -1.288
  272   2HD   LYS  40          2HD       LYS  40   6.774 -12.448  -2.683
  273   1HE   LYS  40          1HE       LYS  40   9.471 -12.541  -2.279
  274   2HE   LYS  40          2HE       LYS  40   9.153 -11.025  -1.432
  275   1HZ   LYS  40          1HZ       LYS  40   7.937 -11.359  -4.088
  276   2HZ   LYS  40          2HZ       LYS  40   8.549  -9.999  -3.376
  277   3HZ   LYS  40          3HZ       LYS  40   9.572 -11.124  -4.023
  278    H    GLU  41           H        GLU  41   5.226  -8.250  -1.267
  279    HA   GLU  41           HA       GLU  41   7.214  -7.711   0.930
  280   1HB   GLU  41          1HB       GLU  41   6.863  -5.920  -1.508
  281   2HB   GLU  41          2HB       GLU  41   8.291  -6.180  -0.525
  282   1HG   GLU  41          1HG       GLU  41   7.071  -8.143  -2.565
  283   2HG   GLU  41          2HG       GLU  41   8.326  -8.630  -1.438
  284    H    LEU  42           H        LEU  42   4.296  -6.240  -0.474
  285    HA   LEU  42           HA       LEU  42   4.057  -3.770   0.827
  286   1HB   LEU  42          1HB       LEU  42   1.805  -5.838   0.468
  287   2HB   LEU  42          2HB       LEU  42   2.338  -4.682  -0.734
  288    HG   LEU  42           HG       LEU  42   1.350  -3.603   1.944
  289   1HD1  LEU  42          1HD1      LEU  42   0.535  -1.711   0.507
  290   2HD1  LEU  42          2HD1      LEU  42   2.272  -1.978   0.294
  291   3HD1  LEU  42          3HD1      LEU  42   1.132  -2.543  -0.952
  292   1HD2  LEU  42          1HD2      LEU  42  -0.550  -4.554  -0.305
  293   2HD2  LEU  42          2HD2      LEU  42  -0.409  -5.272   1.318
  294   3HD2  LEU  42          3HD2      LEU  42  -1.020  -3.618   1.138
  295    H    GLY  43           H        GLY  43   4.794  -3.470   2.817
  296   1HA   GLY  43          1HA       GLY  43   4.121  -5.398   5.117
  297   2HA   GLY  43          2HA       GLY  43   3.911  -3.652   5.343
  298    H    THR  44           H        THR  44   6.362  -5.981   4.129
  299    HA   THR  44           HA       THR  44   8.570  -5.251   5.734
  300    HB   THR  44           HB       THR  44   8.566  -6.340   2.892
  301    HG1  THR  44           HG1      THR  44   9.236  -7.453   5.404
  302   1HG2  THR  44          1HG2      THR  44  10.970  -6.954   3.193
  303   2HG2  THR  44          2HG2      THR  44  10.763  -5.191   3.125
  304   3HG2  THR  44          3HG2      THR  44  11.043  -5.994   4.692
  305    H    VAL  45           H        VAL  45   7.186  -3.701   2.901
  306    HA   VAL  45           HA       VAL  45   9.447  -1.809   2.391
  307    HB   VAL  45           HB       VAL  45   8.208  -2.556   0.468
  308   1HG1  VAL  45          1HG1      VAL  45   7.449   0.408   0.846
  309   2HG1  VAL  45          2HG1      VAL  45   9.092  -0.135   0.481
  310   3HG1  VAL  45          3HG1      VAL  45   7.784  -0.446  -0.683
  311   1HG2  VAL  45          1HG2      VAL  45   5.851  -2.148  -0.011
  312   2HG2  VAL  45          2HG2      VAL  45   5.909  -2.915   1.593
  313   3HG2  VAL  45          3HG2      VAL  45   5.639  -1.171   1.465
  314    H    MET  46           H        MET  46   6.345  -1.834   4.066
  315    HA   MET  46           HA       MET  46   6.467   1.081   4.833
  316   1HB   MET  46          1HB       MET  46   4.477  -1.178   5.427
  317   2HB   MET  46          2HB       MET  46   4.401   0.348   6.288
  318   1HG   MET  46          1HG       MET  46   3.747   1.584   4.329
  319   2HG   MET  46          2HG       MET  46   4.382   0.358   3.218
  320   1HE   MET  46          1HE       MET  46   2.270   0.017   6.551
  321   2HE   MET  46          2HE       MET  46   1.046  -1.186   6.050
  322   3HE   MET  46          3HE       MET  46   2.772  -1.645   6.110
  323    NH1  ARG  47           NH1      ARG  47   9.675  -7.785  10.649
  324    NH2  ARG  47           NH2      ARG  47  11.894  -7.304  10.590
  325    H    ARG  47           H        ARG  47   8.010  -1.689   5.948
  326    HA   ARG  47           HA       ARG  47   7.832  -0.932   8.921
  327   1HB   ARG  47          1HB       ARG  47   7.256  -3.155   8.999
  328   2HB   ARG  47          2HB       ARG  47   7.995  -3.522   7.447
  329   1HG   ARG  47          1HG       ARG  47   9.565  -3.188  10.075
  330   2HG   ARG  47          2HG       ARG  47  10.289  -3.543   8.505
  331   1HD   ARG  47          1HD       ARG  47   8.561  -5.358  10.256
  332   2HD   ARG  47          2HD       ARG  47   8.536  -5.619   8.514
  333    HE   ARG  47           HE       ARG  47  11.250  -5.652   8.872
  334   1HH1  ARG  47          1HH1      ARG  47   9.940  -8.565  11.260
  335   2HH1  ARG  47          2HH1      ARG  47   8.730  -7.555  10.321
  336   1HH2  ARG  47          1HH2      ARG  47  12.646  -6.737  10.184
  337   2HH2  ARG  47          2HH2      ARG  47  12.001  -8.090  11.242
  338    H    MET  48           H        MET  48  10.096  -1.680   6.289
  339    HA   MET  48           HA       MET  48  12.537  -1.724   7.918
  340   1HB   MET  48          1HB       MET  48  12.103  -1.376   4.903
  341   2HB   MET  48          2HB       MET  48  12.715  -2.775   5.766
  342   1HG   MET  48          1HG       MET  48  14.203  -0.428   4.709
  343   2HG   MET  48          2HG       MET  48  14.639  -0.786   6.387
  344   1HE   MET  48          1HE       MET  48  14.888  -1.437   2.833
  345   2HE   MET  48          2HE       MET  48  15.951  -2.863   2.650
  346   3HE   MET  48          3HE       MET  48  14.180  -3.081   2.765
  347    H    LEU  49           H        LEU  49  10.713   0.827   6.435
  348    HA   LEU  49           HA       LEU  49  12.739   2.974   7.236
  349   1HB   LEU  49          1HB       LEU  49  12.416   3.331   4.959
  350   2HB   LEU  49          2HB       LEU  49  11.081   4.310   5.563
  351    HG   LEU  49           HG       LEU  49  10.187   2.992   3.747
  352   1HD1  LEU  49          1HD1      LEU  49  10.362   0.523   3.550
  353   2HD1  LEU  49          2HD1      LEU  49  11.974   1.261   3.571
  354   3HD1  LEU  49          3HD1      LEU  49  11.351   0.451   5.030
  355   1HD2  LEU  49          1HD2      LEU  49   9.313   1.609   6.355
  356   2HD2  LEU  49          2HD2      LEU  49   8.617   3.103   5.680
  357   3HD2  LEU  49          3HD2      LEU  49   8.425   1.574   4.810
  358    H    GLY  50           H        GLY  50  10.567   1.588   8.920
  359   1HA   GLY  50          1HA       GLY  50   9.167   4.117   9.940
  360   2HA   GLY  50          2HA       GLY  50   8.171   2.743   9.471
  361    H    GLN  51           H        GLN  51   8.911   0.596  10.521
  362    HA   GLN  51           HA       GLN  51   9.466   1.005  13.513
  363   1HB   GLN  51          1HB       GLN  51   7.165  -0.806  12.684
  364   2HB   GLN  51          2HB       GLN  51   7.494  -0.041  14.228
  365   1HG   GLN  51          1HG       GLN  51   6.366   1.883  13.705
  366   2HG   GLN  51          2HG       GLN  51   7.006   1.970  12.076
  367   1HE2  GLN  51          1HE2      GLN  51   3.296   1.297  11.827
  368   2HE2  GLN  51          2HE2      GLN  51   4.423   2.632  12.386
  369    H    ASN  52           H        ASN  52   8.641  -1.741  14.041
  370    HA   ASN  52           HA       ASN  52  10.435  -3.492  12.360
  371   1HB   ASN  52          1HB       ASN  52  11.972  -4.103  14.032
  372   2HB   ASN  52          2HB       ASN  52  10.964  -3.566  15.358
  373   1HD2  ASN  52          1HD2      ASN  52  12.089  -0.057  14.884
  374   2HD2  ASN  52          2HD2      ASN  52  10.723  -1.105  15.516
  375    HA   PRO  53           HA       PRO  53   6.558  -5.457  14.656
  376   1HB   PRO  53          1HB       PRO  53   4.779  -5.842  12.590
  377   2HB   PRO  53          2HB       PRO  53   4.958  -4.313  13.463
  378   1HG   PRO  53          1HG       PRO  53   6.176  -5.064  10.760
  379   2HG   PRO  53          2HG       PRO  53   5.312  -3.570  11.193
  380   1HD   PRO  53          1HD       PRO  53   8.094  -3.763  11.178
  381   2HD   PRO  53          2HD       PRO  53   7.230  -2.665  12.297
  382    H    THR  54           H        THR  54   5.257  -7.536  13.307
  383    HA   THR  54           HA       THR  54   7.534  -9.552  13.023
  384    HB   THR  54           HB       THR  54   6.322 -11.189  14.063
  385    HG1  THR  54           HG1      THR  54   4.400 -11.579  13.538
  386   1HG2  THR  54          1HG2      THR  54   5.141 -10.346  16.066
  387   2HG2  THR  54          2HG2      THR  54   6.592  -9.363  15.768
  388   3HG2  THR  54          3HG2      THR  54   4.982  -8.726  15.346
  389    H    LYS  55           H        LYS  55   7.052 -11.410  11.594
  390    HA   LYS  55           HA       LYS  55   6.337 -10.522   8.838
  391   1HB   LYS  55          1HB       LYS  55   6.565 -13.163   8.442
  392   2HB   LYS  55          2HB       LYS  55   7.266 -13.170  10.046
  393   1HG   LYS  55          1HG       LYS  55   9.181 -12.961   8.763
  394   2HG   LYS  55          2HG       LYS  55   8.874 -11.269   9.100
  395   1HD   LYS  55          1HD       LYS  55   7.589 -12.304   6.561
  396   2HD   LYS  55          2HD       LYS  55   8.338 -10.753   6.906
  397   1HE   LYS  55          1HE       LYS  55  10.534 -11.491   6.426
  398   2HE   LYS  55          2HE       LYS  55  10.178 -13.188   6.754
  399   1HZ   LYS  55          1HZ       LYS  55   8.585 -12.825   4.676
  400   2HZ   LYS  55          2HZ       LYS  55   9.666 -11.626   4.325
  401   3HZ   LYS  55          3HZ       LYS  55  10.185 -13.187   4.484
  402    H    GLU  56           H        GLU  56   4.866 -12.388  11.442
  403    HA   GLU  56           HA       GLU  56   2.575 -13.574  10.106
  404   1HB   GLU  56          1HB       GLU  56   2.188 -12.559  12.920
  405   2HB   GLU  56          2HB       GLU  56   3.508 -13.682  12.661
  406   1HG   GLU  56          1HG       GLU  56   1.418 -15.003  11.330
  407   2HG   GLU  56          2HG       GLU  56   0.540 -14.165  12.599
  408    H    GLU  57           H        GLU  57   3.246 -10.306  11.196
  409    HA   GLU  57           HA       GLU  57   0.479  -9.270  11.131
  410   1HB   GLU  57          1HB       GLU  57   1.496  -6.999  11.284
  411   2HB   GLU  57          2HB       GLU  57   3.092  -7.673  11.021
  412   1HG   GLU  57          1HG       GLU  57   2.769  -9.065  13.189
  413   2HG   GLU  57          2HG       GLU  57   2.954  -7.330  13.382
  414    H    LEU  58           H        LEU  58   3.266  -8.990   8.907
  415    HA   LEU  58           HA       LEU  58   2.035  -7.512   6.747
  416   1HB   LEU  58          1HB       LEU  58   4.502  -8.045   6.950
  417   2HB   LEU  58          2HB       LEU  58   4.177  -9.705   6.497
  418    HG   LEU  58           HG       LEU  58   3.806  -7.220   4.715
  419   1HD1  LEU  58          1HD1      LEU  58   3.273 -10.140   3.878
  420   2HD1  LEU  58          2HD1      LEU  58   1.990  -8.998   4.303
  421   3HD1  LEU  58          3HD1      LEU  58   3.032  -8.672   2.896
  422   1HD2  LEU  58          1HD2      LEU  58   5.639  -8.156   3.350
  423   2HD2  LEU  58          2HD2      LEU  58   6.196  -8.062   5.039
  424   3HD2  LEU  58          3HD2      LEU  58   5.708  -9.624   4.358
  425    H    ASP  59           H        ASP  59   1.995 -10.945   7.567
  426    HA   ASP  59           HA       ASP  59   0.627 -11.900   5.108
  427   1HB   ASP  59          1HB       ASP  59   1.322 -13.222   7.761
  428   2HB   ASP  59          2HB       ASP  59   0.143 -13.981   6.715
  429    H    ALA  60           H        ALA  60  -0.334 -10.726   8.278
  430    HA   ALA  60           HA       ALA  60  -3.064 -11.705   8.439
  431   1HB   ALA  60          1HB       ALA  60  -3.418  -9.927  10.146
  432   2HB   ALA  60          2HB       ALA  60  -1.880 -10.773  10.400
  433   3HB   ALA  60          3HB       ALA  60  -1.889  -9.139   9.688
  434    H    ILE  61           H        ILE  61  -2.075  -8.332   7.736
  435    HA   ILE  61           HA       ILE  61  -4.485  -7.271   6.731
  436    HB   ILE  61           HB       ILE  61  -1.656  -6.526   5.846
  437   1HG1  ILE  61          1HG1      ILE  61  -3.520  -4.992   7.771
  438   2HG1  ILE  61          2HG1      ILE  61  -2.354  -6.170   8.334
  439   1HG2  ILE  61          1HG2      ILE  61  -2.612  -4.396   4.929
  440   2HG2  ILE  61          2HG2      ILE  61  -3.266  -5.790   4.073
  441   3HG2  ILE  61          3HG2      ILE  61  -4.263  -4.960   5.290
  442   1HD1  ILE  61          1HD1      ILE  61  -1.608  -3.575   6.863
  443   2HD1  ILE  61          2HD1      ILE  61  -1.374  -3.959   8.582
  444   3HD1  ILE  61          3HD1      ILE  61  -0.448  -4.843   7.347
  445    H    ILE  62           H        ILE  62  -2.050  -9.287   5.173
  446    HA   ILE  62           HA       ILE  62  -2.767  -9.039   2.366
  447    HB   ILE  62           HB       ILE  62  -0.924 -10.607   3.836
  448   1HG1  ILE  62          1HG1      ILE  62  -1.433 -10.168   0.843
  449   2HG1  ILE  62          2HG1      ILE  62  -0.221 -11.329   1.342
  450   1HG2  ILE  62          1HG2      ILE  62  -1.130 -12.920   2.889
  451   2HG2  ILE  62          2HG2      ILE  62  -2.535 -12.536   3.882
  452   3HG2  ILE  62          3HG2      ILE  62  -2.672 -12.485   2.109
  453   1HD1  ILE  62          1HD1      ILE  62   1.108  -9.613   2.538
  454   2HD1  ILE  62          2HD1      ILE  62   0.792  -9.109   0.865
  455   3HD1  ILE  62          3HD1      ILE  62  -0.135  -8.378   2.196
  456    H    GLU  63           H        GLU  63  -3.863 -11.373   4.841
  457    HA   GLU  63           HA       GLU  63  -5.635 -13.011   3.354
  458   1HB   GLU  63          1HB       GLU  63  -5.092 -13.482   5.692
  459   2HB   GLU  63          2HB       GLU  63  -5.977 -12.076   6.248
  460   1HG   GLU  63          1HG       GLU  63  -8.147 -13.089   5.574
  461   2HG   GLU  63          2HG       GLU  63  -7.332 -14.428   4.783
  462    H    GLU  64           H        GLU  64  -6.286  -9.826   4.784
  463    HA   GLU  64           HA       GLU  64  -9.157  -9.710   4.160
  464   1HB   GLU  64          1HB       GLU  64  -7.677  -8.280   5.852
  465   2HB   GLU  64          2HB       GLU  64  -7.507  -7.181   4.498
  466   1HG   GLU  64          1HG       GLU  64 -10.353  -8.016   5.060
  467   2HG   GLU  64          2HG       GLU  64  -9.578  -7.139   6.368
  468    H    VAL  65           H        VAL  65  -6.226  -8.539   2.536
  469    HA   VAL  65           HA       VAL  65  -7.863  -7.592   0.131
  470    HB   VAL  65           HB       VAL  65  -5.133  -6.737  -0.155
  471   1HG1  VAL  65          1HG1      VAL  65  -6.236  -5.811   2.574
  472   2HG1  VAL  65          2HG1      VAL  65  -4.982  -7.052   2.390
  473   3HG1  VAL  65          3HG1      VAL  65  -4.672  -5.390   1.832
  474   1HG2  VAL  65          1HG2      VAL  65  -6.074  -4.488  -0.313
  475   2HG2  VAL  65          2HG2      VAL  65  -7.277  -5.585  -1.034
  476   3HG2  VAL  65          3HG2      VAL  65  -7.535  -4.948   0.596
  477    H    ASP  66           H        ASP  66  -7.308 -10.350   0.762
  478    HA   ASP  66           HA       ASP  66  -6.126 -11.272  -1.836
  479   1HB   ASP  66          1HB       ASP  66  -4.697 -12.370   0.626
  480   2HB   ASP  66          2HB       ASP  66  -4.161 -10.870  -0.096
  481    H    GLU  67           H        GLU  67  -8.644 -11.344  -0.542
  482    HA   GLU  67           HA       GLU  67  -9.285 -13.912   0.768
  483   1HB   GLU  67          1HB       GLU  67 -11.149 -12.066  -0.816
  484   2HB   GLU  67          2HB       GLU  67 -11.670 -13.454   0.118
  485   1HG   GLU  67          1HG       GLU  67 -11.062 -12.403   2.236
  486   2HG   GLU  67          2HG       GLU  67 -10.100 -11.166   1.444
  487    H    ASP  68           H        ASP  68 -10.472 -12.941  -2.444
  488    HA   ASP  68           HA       ASP  68  -9.323 -15.398  -3.794
  489   1HB   ASP  68          1HB       ASP  68 -11.302 -16.436  -2.949
  490   2HB   ASP  68          2HB       ASP  68 -11.556 -16.157  -4.656
  491    H    GLY  69           H        GLY  69  -8.209 -13.494  -4.693
  492   1HA   GLY  69          1HA       GLY  69  -9.223 -11.314  -6.258
  493   2HA   GLY  69          2HA       GLY  69  -9.404 -12.717  -7.317
  494    H    SER  70           H        SER  70  -7.876 -12.469  -8.778
  495    HA   SER  70           HA       SER  70  -4.944 -12.542  -7.926
  496   1HB   SER  70          1HB       SER  70  -6.470 -13.658 -10.283
  497   2HB   SER  70          2HB       SER  70  -5.244 -14.410  -9.260
  498    HG   SER  70           HG       SER  70  -3.673 -13.299 -10.300
  499    H    GLY  71           H        GLY  71  -4.465 -10.407  -7.633
  500   1HA   GLY  71          1HA       GLY  71  -4.323  -8.610 -10.098
  501   2HA   GLY  71          2HA       GLY  71  -5.215  -7.986  -8.707
  502    H    THR  72           H        THR  72  -3.777  -6.310  -8.431
  503    HA   THR  72           HA       THR  72  -1.163  -6.991  -7.044
  504    HB   THR  72           HB       THR  72  -0.743  -6.496  -9.504
  505    HG1  THR  72           HG1      THR  72   0.991  -6.424  -8.426
  506   1HG2  THR  72          1HG2      THR  72  -2.176  -4.389  -9.770
  507   2HG2  THR  72          2HG2      THR  72  -1.011  -3.525  -8.743
  508   3HG2  THR  72          3HG2      THR  72  -0.492  -4.206 -10.307
  509    H    ILE  73           H        ILE  73  -0.260  -4.993  -5.961
  510    HA   ILE  73           HA       ILE  73  -2.538  -3.527  -4.590
  511    HB   ILE  73           HB       ILE  73   0.001  -4.646  -3.559
  512   1HG1  ILE  73          1HG1      ILE  73  -2.652  -3.970  -2.157
  513   2HG1  ILE  73          2HG1      ILE  73  -1.335  -4.909  -1.477
  514   1HG2  ILE  73          1HG2      ILE  73   0.420  -3.042  -1.732
  515   2HG2  ILE  73          2HG2      ILE  73   0.591  -2.203  -3.280
  516   3HG2  ILE  73          3HG2      ILE  73  -0.877  -1.966  -2.303
  517   1HD1  ILE  73          1HD1      ILE  73  -2.772  -6.631  -2.197
  518   2HD1  ILE  73          2HD1      ILE  73  -3.290  -5.745  -3.647
  519   3HD1  ILE  73          3HD1      ILE  73  -1.683  -6.510  -3.607
  520    H    ASP  74           H        ASP  74  -2.511  -1.317  -4.378
  521    HA   ASP  74           HA       ASP  74  -0.672   0.196  -6.311
  522   1HB   ASP  74          1HB       ASP  74  -2.761   1.841  -6.417
  523   2HB   ASP  74          2HB       ASP  74  -2.614   0.458  -7.476
  524    H    PHE  75           H        PHE  75  -0.714   2.609  -5.788
  525    HA   PHE  75           HA       PHE  75   0.505   3.020  -3.146
  526   1HB   PHE  75          1HB       PHE  75  -0.475   5.254  -5.008
  527   2HB   PHE  75          2HB       PHE  75   0.949   4.315  -5.374
  528    HD1  PHE  75           HD1      PHE  75  -0.049   7.354  -4.032
  529    HD2  PHE  75           HD2      PHE  75   2.552   4.084  -3.002
  530    HE1  PHE  75           HE1      PHE  75   1.366   8.879  -2.718
  531    HE2  PHE  75           HE2      PHE  75   3.918   5.615  -1.640
  532    HZ   PHE  75           HZ       PHE  75   3.339   8.012  -1.507
  533    H    GLU  76           H        GLU  76  -2.726   3.402  -4.461
  534    HA   GLU  76           HA       GLU  76  -3.895   5.167  -2.442
  535   1HB   GLU  76          1HB       GLU  76  -6.130   4.247  -3.236
  536   2HB   GLU  76          2HB       GLU  76  -5.266   3.133  -4.276
  537   1HG   GLU  76          1HG       GLU  76  -4.143   5.254  -5.363
  538   2HG   GLU  76          2HG       GLU  76  -5.328   6.202  -4.480
  539    H    GLU  77           H        GLU  77  -4.666   1.714  -2.886
  540    HA   GLU  77           HA       GLU  77  -5.688   1.046  -0.302
  541   1HB   GLU  77          1HB       GLU  77  -4.519  -1.319  -0.801
  542   2HB   GLU  77          2HB       GLU  77  -4.247  -0.618  -2.384
  543   1HG   GLU  77          1HG       GLU  77  -6.912  -1.287  -1.031
  544   2HG   GLU  77          2HG       GLU  77  -6.882  -0.072  -2.298
  545    H    PHE  78           H        PHE  78  -2.369   1.528  -1.344
  546    HA   PHE  78           HA       PHE  78  -0.937   0.273   0.854
  547   1HB   PHE  78          1HB       PHE  78  -0.227   2.245  -1.308
  548   2HB   PHE  78          2HB       PHE  78   0.482   0.697  -0.928
  549    HD1  PHE  78           HD1      PHE  78   1.773   3.585  -1.462
  550    HD2  PHE  78           HD2      PHE  78   1.038   1.332   2.129
  551    HE1  PHE  78           HE1      PHE  78   3.810   4.521  -0.445
  552    HE2  PHE  78           HE2      PHE  78   3.076   2.279   3.130
  553    HZ   PHE  78           HZ       PHE  78   4.497   3.825   1.826
  554    H    LEU  79           H        LEU  79  -1.986   3.649   0.348
  555    HA   LEU  79           HA       LEU  79  -1.033   4.752   2.925
  556   1HB   LEU  79          1HB       LEU  79  -2.690   6.637   2.425
  557   2HB   LEU  79          2HB       LEU  79  -3.210   5.759   1.003
  558    HG   LEU  79           HG       LEU  79  -0.593   5.838   0.348
  559   1HD1  LEU  79          1HD1      LEU  79  -1.022   7.935  -0.941
  560   2HD1  LEU  79          2HD1      LEU  79  -2.435   6.865  -1.002
  561   3HD1  LEU  79          3HD1      LEU  79  -2.450   8.292   0.063
  562   1HD2  LEU  79          1HD2      LEU  79  -0.843   8.286   2.223
  563   2HD2  LEU  79          2HD2      LEU  79   0.237   6.889   2.457
  564   3HD2  LEU  79          3HD2      LEU  79   0.497   7.981   1.089
  565    H    VAL  80           H        VAL  80  -3.921   3.097   1.799
  566    HA   VAL  80           HA       VAL  80  -5.758   3.753   3.967
  567    HB   VAL  80           HB       VAL  80  -5.809   1.234   2.226
  568   1HG1  VAL  80          1HG1      VAL  80  -7.363   3.847   1.725
  569   2HG1  VAL  80          2HG1      VAL  80  -5.838   3.462   0.916
  570   3HG1  VAL  80          3HG1      VAL  80  -7.255   2.416   0.668
  571   1HG2  VAL  80          1HG2      VAL  80  -8.200   1.046   2.725
  572   2HG2  VAL  80          2HG2      VAL  80  -7.350   1.121   4.286
  573   3HG2  VAL  80          3HG2      VAL  80  -8.193   2.552   3.674
  574    H    MET  81           H        MET  81  -3.333   1.219   3.518
  575    HA   MET  81           HA       MET  81  -4.057  -0.270   6.036
  576   1HB   MET  81          1HB       MET  81  -2.706  -2.002   5.315
  577   2HB   MET  81          2HB       MET  81  -3.189  -1.302   3.781
  578   1HG   MET  81          1HG       MET  81  -0.500  -0.608   5.120
  579   2HG   MET  81          2HG       MET  81  -1.003  -0.222   3.467
  580   1HE   MET  81          1HE       MET  81  -0.013  -4.349   5.273
  581   2HE   MET  81          2HE       MET  81   1.263  -3.096   5.278
  582   3HE   MET  81          3HE       MET  81  -0.290  -2.788   6.108
  583    H    MET  82           H        MET  82  -1.781   2.159   4.954
  584    HA   MET  82           HA       MET  82   0.165   1.960   7.171
  585   1HB   MET  82          1HB       MET  82  -0.306   3.847   4.889
  586   2HB   MET  82          2HB       MET  82   0.373   4.605   6.317
  587   1HG   MET  82          1HG       MET  82   1.920   3.433   4.385
  588   2HG   MET  82          2HG       MET  82   1.721   2.031   5.450
  589   1HE   MET  82          1HE       MET  82   3.741   1.845   7.721
  590   2HE   MET  82          2HE       MET  82   3.024   3.032   8.850
  591   3HE   MET  82          3HE       MET  82   1.960   1.989   7.862
  592    H    VAL  83           H        VAL  83  -2.876   3.647   6.644
  593    HA   VAL  83           HA       VAL  83  -2.777   5.482   8.937
  594    HB   VAL  83           HB       VAL  83  -4.843   4.690   6.950
  595   1HG1  VAL  83          1HG1      VAL  83  -4.378   7.409   8.326
  596   2HG1  VAL  83          2HG1      VAL  83  -3.452   6.864   6.921
  597   3HG1  VAL  83          3HG1      VAL  83  -5.210   7.094   6.781
  598   1HG2  VAL  83          1HG2      VAL  83  -6.822   5.469   8.149
  599   2HG2  VAL  83          2HG2      VAL  83  -6.095   4.197   9.158
  600   3HG2  VAL  83          3HG2      VAL  83  -5.873   5.897   9.596
  601    NH1  ARG  84           NH1      ARG  84  -7.239  -3.513   7.591
  602    NH2  ARG  84           NH2      ARG  84  -8.531  -1.729   7.032
  603    H    ARG  84           H        ARG  84  -4.450   2.354   8.421
  604    HA   ARG  84           HA       ARG  84  -5.555   1.908  11.085
  605   1HB   ARG  84          1HB       ARG  84  -5.583  -0.521  10.493
  606   2HB   ARG  84          2HB       ARG  84  -6.292   0.513   9.260
  607   1HG   ARG  84          1HG       ARG  84  -4.241   0.368   7.853
  608   2HG   ARG  84          2HG       ARG  84  -3.422  -0.593   9.086
  609   1HD   ARG  84          1HD       ARG  84  -4.254  -2.141   7.381
  610   2HD   ARG  84          2HD       ARG  84  -5.195  -2.408   8.847
  611    HE   ARG  84           HE       ARG  84  -6.370  -0.555   6.737
  612   1HH1  ARG  84          1HH1      ARG  84  -8.102  -4.063   7.518
  613   2HH1  ARG  84          2HH1      ARG  84  -6.313  -3.856   7.869
  614   1HH2  ARG  84          1HH2      ARG  84  -8.591  -0.714   6.895
  615   2HH2  ARG  84          2HH2      ARG  84  -9.305  -2.402   6.993
  616    H    GLN  85           H        GLN  85  -2.413   0.987   9.650
  617    HA   GLN  85           HA       GLN  85  -1.381  -0.528  11.959
  618   1HB   GLN  85          1HB       GLN  85   0.892   0.416  10.554
  619   2HB   GLN  85          2HB       GLN  85  -0.356   0.354   9.323
  620   1HG   GLN  85          1HG       GLN  85   1.119  -1.761   9.669
  621   2HG   GLN  85          2HG       GLN  85  -0.602  -1.988   9.433
  622   1HE2  GLN  85          1HE2      GLN  85   1.099  -2.950  13.096
  623   2HE2  GLN  85          2HE2      GLN  85   2.011  -1.979  11.834
  624    H    MET  86           H        MET  86  -1.314   2.850  10.980
  625    HA   MET  86           HA       MET  86   0.865   3.950  12.499
  626   1HB   MET  86          1HB       MET  86  -1.750   5.507  12.240
  627   2HB   MET  86          2HB       MET  86  -0.816   5.113  10.809
  628   1HG   MET  86          1HG       MET  86   0.585   6.870  11.178
  629   2HG   MET  86          2HG       MET  86   1.035   6.238  12.770
  630   1HE   MET  86          1HE       MET  86   1.256   7.810  14.272
  631   2HE   MET  86          2HE       MET  86   0.971   9.399  13.502
  632   3HE   MET  86          3HE       MET  86   0.025   8.925  14.944
  633    H    LYS  87           H        LYS  87  -2.391   3.023  13.473
  634    HA   LYS  87           HA       LYS  87  -2.440   4.154  16.193
  635   1HB   LYS  87          1HB       LYS  87  -4.334   2.879  14.651
  636   2HB   LYS  87          2HB       LYS  87  -3.909   1.554  15.714
  637   1HG   LYS  87          1HG       LYS  87  -5.734   2.562  16.800
  638   2HG   LYS  87          2HG       LYS  87  -5.266   4.191  16.357
  639   1HD   LYS  87          1HD       LYS  87  -3.648   2.554  18.410
  640   2HD   LYS  87          2HD       LYS  87  -3.530   4.273  18.071
  641   1HE   LYS  87          1HE       LYS  87  -4.904   4.575  19.865
  642   2HE   LYS  87          2HE       LYS  87  -6.225   4.120  18.787
  643   1HZ   LYS  87          1HZ       LYS  87  -5.993   2.869  20.976
  644   2HZ   LYS  87          2HZ       LYS  87  -6.210   1.933  19.632
  645   3HZ   LYS  87          3HZ       LYS  87  -4.710   2.067  20.312
  646    H    GLU  88           H        GLU  88  -2.122   0.708  15.260
  647    HA   GLU  88           HA       GLU  88  -0.993  -1.143  16.300
  648   1HB   GLU  88          1HB       GLU  88   0.917  -0.097  15.239
  649   2HB   GLU  88          2HB       GLU  88   1.103   1.071  16.532
  650   1HG   GLU  88          1HG       GLU  88   2.787  -0.405  17.145
  651   2HG   GLU  88          2HG       GLU  88   1.476  -1.121  18.067
  652    H    ASP  89           H        ASP  89   0.616   1.096  18.455
  653    HA   ASP  89           HA       ASP  89  -1.126   0.220  20.809
  654   1HB   ASP  89          1HB       ASP  89   1.298   0.233  22.068
  655   2HB   ASP  89          2HB       ASP  89   1.835  -0.279  20.485
  656    H    ALA  90           H        ALA  90   1.625   2.287  19.840
  657    HA   ALA  90           HA       ALA  90   0.366   4.651  21.349
  658   1HB   ALA  90          1HB       ALA  90   2.497   5.485  21.975
  659   2HB   ALA  90          2HB       ALA  90   2.750   3.737  22.141
  660   3HB   ALA  90          3HB       ALA  90   3.369   4.589  20.706
   
  Start of MODEL          21
 Raw file had  660 H/Q atoms
  Start of MODEL   21
    1   1H    ALA   1          1H        ALA   1 -20.139   2.453   9.437
    2   2H    ALA   1          2H        ALA   1 -20.832   3.521   8.339
    3   3H    ALA   1          3H        ALA   1 -21.666   2.137   8.806
    4    HA   ALA   1           HA       ALA   1 -19.035   1.703   7.697
    5   1HB   ALA   1          1HB       ALA   1 -21.751   0.330   7.731
    6   2HB   ALA   1          2HB       ALA   1 -20.627  -0.082   6.422
    7   3HB   ALA   1          3HB       ALA   1 -20.148  -0.338   8.120
    8    H    SER   2           H        SER   2 -18.439   3.130   6.198
    9    HA   SER   2           HA       SER   2 -19.861   3.390   3.589
   10   1HB   SER   2          1HB       SER   2 -20.939   5.062   5.463
   11   2HB   SER   2          2HB       SER   2 -19.651   6.108   4.862
   12    HG   SER   2           HG       SER   2 -20.432   5.478   2.706
   13    H    MET   3           H        MET   3 -17.847   2.663   2.876
   14    HA   MET   3           HA       MET   3 -15.431   4.526   3.134
   15   1HB   MET   3          1HB       MET   3 -15.516   1.660   2.023
   16   2HB   MET   3          2HB       MET   3 -14.089   2.674   2.136
   17   1HG   MET   3          1HG       MET   3 -14.570   2.767   4.741
   18   2HG   MET   3          2HG       MET   3 -13.880   1.294   4.041
   19   1HE   MET   3          1HE       MET   3 -16.779   0.969   7.003
   20   2HE   MET   3          2HE       MET   3 -15.327  -0.023   6.677
   21   3HE   MET   3          3HE       MET   3 -15.196   1.759   6.720
   22    H    THR   4           H        THR   4 -17.726   5.300   1.692
   23    HA   THR   4           HA       THR   4 -17.767   4.973  -1.165
   24    HB   THR   4           HB       THR   4 -18.625   7.319  -1.330
   25    HG1  THR   4           HG1      THR   4 -18.922   7.646   1.330
   26   1HG2  THR   4          1HG2      THR   4 -20.723   7.039  -0.064
   27   2HG2  THR   4          2HG2      THR   4 -20.290   5.489  -0.820
   28   3HG2  THR   4          3HG2      THR   4 -20.028   5.738   0.926
   29    H    ASP   5           H        ASP   5 -15.455   6.556   0.923
   30    HA   ASP   5           HA       ASP   5 -13.417   6.771  -1.223
   31   1HB   ASP   5          1HB       ASP   5 -13.030   9.241  -1.125
   32   2HB   ASP   5          2HB       ASP   5 -14.519   8.784  -1.918
   33    H    GLN   6           H        GLN   6 -13.017   5.267   0.698
   34    HA   GLN   6           HA       GLN   6 -11.943   6.391   3.248
   35   1HB   GLN   6          1HB       GLN   6 -11.552   4.216   3.921
   36   2HB   GLN   6          2HB       GLN   6 -12.827   3.957   2.743
   37   1HG   GLN   6          1HG       GLN   6 -10.858   3.534   1.009
   38   2HG   GLN   6          2HG       GLN   6  -9.838   3.363   2.422
   39   1HE2  GLN   6          1HE2      GLN   6 -11.732   0.312   3.506
   40   2HE2  GLN   6          2HE2      GLN   6 -11.285   1.940   4.224
   41    H    GLN   7           H        GLN   7 -10.683   5.432   0.091
   42    HA   GLN   7           HA       GLN   7  -7.840   5.435   0.470
   43   1HB   GLN   7          1HB       GLN   7  -8.707   6.829  -2.038
   44   2HB   GLN   7          2HB       GLN   7  -7.606   5.484  -1.799
   45   1HG   GLN   7          1HG       GLN   7 -10.677   5.297  -1.810
   46   2HG   GLN   7          2HG       GLN   7  -9.613   4.815  -3.115
   47   1HE2  GLN   7          1HE2      GLN   7 -10.600   1.837  -0.855
   48   2HE2  GLN   7          2HE2      GLN   7 -11.568   3.259  -1.493
   49    H    ALA   8           H        ALA   8 -10.074   8.164   0.013
   50    HA   ALA   8           HA       ALA   8  -7.924  10.252  -0.065
   51   1HB   ALA   8          1HB       ALA   8 -10.867  10.935   0.284
   52   2HB   ALA   8          2HB       ALA   8  -9.612  11.774  -0.649
   53   3HB   ALA   8          3HB       ALA   8 -10.309  10.253  -1.262
   54    H    GLU   9           H        GLU   9 -10.192   8.883   2.252
   55    HA   GLU   9           HA       GLU   9 -10.197  10.946   4.303
   56   1HB   GLU   9          1HB       GLU   9 -11.927   9.401   4.532
   57   2HB   GLU   9          2HB       GLU   9 -10.894   8.002   4.318
   58   1HG   GLU   9          1HG       GLU   9 -10.624   9.754   6.830
   59   2HG   GLU   9          2HG       GLU   9 -10.071   8.104   6.598
   60    H    ALA  10           H        ALA  10  -8.008   8.269   3.609
   61    HA   ALA  10           HA       ALA  10  -6.480   8.347   6.153
   62   1HB   ALA  10          1HB       ALA  10  -4.936   6.752   5.026
   63   2HB   ALA  10          2HB       ALA  10  -6.629   6.264   4.821
   64   3HB   ALA  10          3HB       ALA  10  -5.750   7.016   3.466
   65    NH1  ARG  11           NH1      ARG  11  -6.124  16.273   0.273
   66    NH2  ARG  11           NH2      ARG  11  -5.232  16.204  -1.815
   67    H    ARG  11           H        ARG  11  -6.079   9.687   2.897
   68    HA   ARG  11           HA       ARG  11  -3.282  10.641   3.159
   69   1HB   ARG  11          1HB       ARG  11  -4.004  10.323   0.916
   70   2HB   ARG  11          2HB       ARG  11  -5.531  11.155   1.175
   71   1HG   ARG  11          1HG       ARG  11  -3.023  12.827   1.516
   72   2HG   ARG  11          2HG       ARG  11  -3.432  12.314  -0.122
   73   1HD   ARG  11          1HD       ARG  11  -5.022  14.133   1.752
   74   2HD   ARG  11          2HD       ARG  11  -5.907  13.207   0.541
   75    HE   ARG  11           HE       ARG  11  -3.664  14.554  -0.785
   76   1HH1  ARG  11          1HH1      ARG  11  -6.640  17.096  -0.059
   77   2HH1  ARG  11          2HH1      ARG  11  -6.184  15.845   1.204
   78   1HH2  ARG  11          1HH2      ARG  11  -4.646  15.699  -2.489
   79   2HH2  ARG  11          2HH2      ARG  11  -5.777  17.056  -1.991
   80    H    ALA  12           H        ALA  12  -6.487  11.989   3.754
   81    HA   ALA  12           HA       ALA  12  -5.837  14.820   4.028
   82   1HB   ALA  12          1HB       ALA  12  -7.984  15.040   5.261
   83   2HB   ALA  12          2HB       ALA  12  -8.175  14.032   3.812
   84   3HB   ALA  12          3HB       ALA  12  -8.110  13.271   5.422
   85    H    PHE  13           H        PHE  13  -5.555  12.088   6.229
   86    HA   PHE  13           HA       PHE  13  -5.243  13.499   8.762
   87   1HB   PHE  13          1HB       PHE  13  -4.027  10.767   8.041
   88   2HB   PHE  13          2HB       PHE  13  -5.712  10.994   8.432
   89    HD1  PHE  13           HD1      PHE  13  -3.441  13.214  10.296
   90    HD2  PHE  13           HD2      PHE  13  -5.227   9.297  10.309
   91    HE1  PHE  13           HE1      PHE  13  -2.871  12.949  12.676
   92    HE2  PHE  13           HE2      PHE  13  -4.649   9.053  12.688
   93    HZ   PHE  13           HZ       PHE  13  -3.499  10.885  13.882
   94    H    LEU  14           H        LEU  14  -2.837  12.171   6.478
   95    HA   LEU  14           HA       LEU  14  -0.460  13.206   7.938
   96   1HB   LEU  14          1HB       LEU  14  -0.376  12.350   5.009
   97   2HB   LEU  14          2HB       LEU  14   0.883  12.246   6.221
   98    HG   LEU  14           HG       LEU  14  -1.683  10.544   6.329
   99   1HD1  LEU  14          1HD1      LEU  14  -0.329   8.661   5.397
  100   2HD1  LEU  14          2HD1      LEU  14  -0.417  10.001   4.239
  101   3HD1  LEU  14          3HD1      LEU  14   1.073   9.740   5.180
  102   1HD2  LEU  14          1HD2      LEU  14   1.004  10.230   7.828
  103   2HD2  LEU  14          2HD2      LEU  14  -0.547  10.729   8.546
  104   3HD2  LEU  14          3HD2      LEU  14  -0.365   9.091   7.900
  105    H    SER  15           H        SER  15   1.132  14.301   6.042
  106    HA   SER  15           HA       SER  15  -0.111  17.059   5.675
  107   1HB   SER  15          1HB       SER  15   2.699  16.069   6.206
  108   2HB   SER  15          2HB       SER  15   2.509  17.587   5.325
  109    HG   SER  15           HG       SER  15   2.567  17.680   7.668
  110    H    GLU  16           H        GLU  16   1.390  18.212   3.826
  111    HA   GLU  16           HA       GLU  16   0.489  16.956   1.248
  112   1HB   GLU  16          1HB       GLU  16   1.597  19.201   0.325
  113   2HB   GLU  16          2HB       GLU  16   1.544  19.701   2.004
  114   1HG   GLU  16          1HG       GLU  16  -1.053  18.947   1.833
  115   2HG   GLU  16          2HG       GLU  16  -0.782  19.127   0.108
  116    H    GLU  17           H        GLU  17   3.487  17.847   2.890
  117    HA   GLU  17           HA       GLU  17   5.286  17.088   0.607
  118   1HB   GLU  17          1HB       GLU  17   5.975  17.907   3.476
  119   2HB   GLU  17          2HB       GLU  17   7.171  17.502   2.261
  120   1HG   GLU  17          1HG       GLU  17   5.121  19.721   1.705
  121   2HG   GLU  17          2HG       GLU  17   6.674  19.460   0.930
  122    H    MET  18           H        MET  18   4.131  15.725   3.644
  123    HA   MET  18           HA       MET  18   5.897  13.478   4.027
  124   1HB   MET  18          1HB       MET  18   2.913  13.724   4.714
  125   2HB   MET  18          2HB       MET  18   4.278  14.102   5.750
  126   1HG   MET  18          1HG       MET  18   3.110  11.399   5.055
  127   2HG   MET  18          2HG       MET  18   4.868  11.457   5.264
  128   1HE   MET  18          1HE       MET  18   5.029  13.532   8.699
  129   2HE   MET  18          2HE       MET  18   6.018  12.180   8.072
  130   3HE   MET  18          3HE       MET  18   5.597  13.547   6.999
  131    H    ILE  19           H        ILE  19   3.131  13.931   1.889
  132    HA   ILE  19           HA       ILE  19   2.673  11.168   1.051
  133    HB   ILE  19           HB       ILE  19   2.096  13.722  -0.537
  134   1HG1  ILE  19          1HG1      ILE  19   0.917  13.104   1.883
  135   2HG1  ILE  19          2HG1      ILE  19   0.132  14.016   0.611
  136   1HG2  ILE  19          1HG2      ILE  19   0.492  12.342  -1.878
  137   2HG2  ILE  19          2HG2      ILE  19   2.128  11.708  -2.043
  138   3HG2  ILE  19          3HG2      ILE  19   0.967  10.878  -0.982
  139   1HD1  ILE  19          1HD1      ILE  19  -0.290  11.008   1.089
  140   2HD1  ILE  19          2HD1      ILE  19  -1.431  12.331   1.404
  141   3HD1  ILE  19          3HD1      ILE  19  -0.986  11.930  -0.271
  142    H    ALA  20           H        ALA  20   4.731  13.775  -0.239
  143    HA   ALA  20           HA       ALA  20   5.703  12.528  -2.660
  144   1HB   ALA  20          1HB       ALA  20   6.006  14.980  -1.765
  145   2HB   ALA  20          2HB       ALA  20   7.486  14.371  -0.997
  146   3HB   ALA  20          3HB       ALA  20   7.301  14.282  -2.767
  147    H    GLU  21           H        GLU  21   6.687  12.192   0.710
  148    HA   GLU  21           HA       GLU  21   9.260  10.798   0.226
  149   1HB   GLU  21          1HB       GLU  21   8.448  12.168   2.339
  150   2HB   GLU  21          2HB       GLU  21   7.768  10.645   2.874
  151   1HG   GLU  21          1HG       GLU  21  10.694  11.434   2.563
  152   2HG   GLU  21          2HG       GLU  21  10.290   9.740   2.339
  153    H    PHE  22           H        PHE  22   5.922   9.859   0.849
  154    HA   PHE  22           HA       PHE  22   6.289   7.008   1.423
  155   1HB   PHE  22          1HB       PHE  22   3.813   6.874   0.482
  156   2HB   PHE  22          2HB       PHE  22   3.894   8.614   0.396
  157    HD1  PHE  22           HD1      PHE  22   3.363   5.748   2.573
  158    HD2  PHE  22           HD2      PHE  22   4.480   9.905   2.638
  159    HE1  PHE  22           HE1      PHE  22   2.697   5.901   4.936
  160    HE2  PHE  22           HE2      PHE  22   3.833  10.029   5.010
  161    HZ   PHE  22           HZ       PHE  22   2.968   8.026   6.169
  162    H    LYS  23           H        LYS  23   5.202   8.631  -1.577
  163    HA   LYS  23           HA       LYS  23   5.294   6.410  -3.402
  164   1HB   LYS  23          1HB       LYS  23   5.706   8.179  -5.242
  165   2HB   LYS  23          2HB       LYS  23   4.239   8.319  -4.296
  166   1HG   LYS  23          1HG       LYS  23   5.460  10.087  -2.850
  167   2HG   LYS  23          2HG       LYS  23   6.791  10.010  -3.987
  168   1HD   LYS  23          1HD       LYS  23   5.309  11.959  -4.474
  169   2HD   LYS  23          2HD       LYS  23   5.383  10.839  -5.825
  170   1HE   LYS  23          1HE       LYS  23   3.158  10.016  -5.494
  171   2HE   LYS  23          2HE       LYS  23   3.063  10.598  -3.831
  172   1HZ   LYS  23          1HZ       LYS  23   2.571  12.706  -4.537
  173   2HZ   LYS  23          2HZ       LYS  23   3.459  12.618  -5.927
  174   3HZ   LYS  23          3HZ       LYS  23   1.976  11.894  -5.847
  175    H    ALA  24           H        ALA  24   7.844   8.561  -2.244
  176    HA   ALA  24           HA       ALA  24  10.006   8.136  -4.040
  177   1HB   ALA  24          1HB       ALA  24  11.543   8.629  -2.148
  178   2HB   ALA  24          2HB       ALA  24  10.144   9.721  -2.141
  179   3HB   ALA  24          3HB       ALA  24  10.229   8.376  -0.974
  180    H    ALA  25           H        ALA  25   9.402   6.251  -1.052
  181    HA   ALA  25           HA       ALA  25  11.447   4.184  -1.586
  182   1HB   ALA  25          1HB       ALA  25  10.499   3.031   0.405
  183   2HB   ALA  25          2HB       ALA  25  10.764   4.754   0.727
  184   3HB   ALA  25          3HB       ALA  25   9.114   4.148   0.433
  185    H    PHE  26           H        PHE  26   8.008   4.530  -2.223
  186    HA   PHE  26           HA       PHE  26   7.192   1.830  -2.783
  187   1HB   PHE  26          1HB       PHE  26   6.182   4.305  -4.304
  188   2HB   PHE  26          2HB       PHE  26   5.706   3.932  -2.669
  189    HD1  PHE  26           HD1      PHE  26   4.699   1.406  -2.340
  190    HD2  PHE  26           HD2      PHE  26   4.860   3.496  -6.097
  191    HE1  PHE  26           HE1      PHE  26   2.924  -0.046  -3.237
  192    HE2  PHE  26           HE2      PHE  26   3.095   2.025  -6.981
  193    HZ   PHE  26           HZ       PHE  26   2.103   0.276  -5.546
  194    H    ASP  27           H        ASP  27   8.976   4.166  -4.728
  195    HA   ASP  27           HA       ASP  27   8.917   2.639  -7.273
  196   1HB   ASP  27          1HB       ASP  27   9.324   5.233  -6.917
  197   2HB   ASP  27          2HB       ASP  27  10.998   4.789  -6.679
  198    H    MET  28           H        MET  28  11.057   2.885  -4.493
  199    HA   MET  28           HA       MET  28  13.497   1.698  -5.382
  200   1HB   MET  28          1HB       MET  28  12.712   2.484  -2.925
  201   2HB   MET  28          2HB       MET  28  12.433   0.767  -2.696
  202   1HG   MET  28          1HG       MET  28  14.784   0.213  -3.054
  203   2HG   MET  28          2HG       MET  28  15.143   1.821  -3.702
  204   1HE   MET  28          1HE       MET  28  16.420   3.244  -2.604
  205   2HE   MET  28          2HE       MET  28  15.169   4.237  -1.798
  206   3HE   MET  28          3HE       MET  28  16.541   3.591  -0.850
  207    H    PHE  29           H        PHE  29  10.473   0.106  -4.403
  208    HA   PHE  29           HA       PHE  29  11.558  -2.675  -4.957
  209   1HB   PHE  29          1HB       PHE  29   8.727  -1.880  -4.020
  210   2HB   PHE  29          2HB       PHE  29   9.346  -3.503  -4.156
  211    HD1  PHE  29           HD1      PHE  29  10.380  -0.279  -2.416
  212    HD2  PHE  29           HD2      PHE  29  10.059  -4.566  -2.182
  213    HE1  PHE  29           HE1      PHE  29  11.284  -0.235  -0.128
  214    HE2  PHE  29           HE2      PHE  29  10.947  -4.496   0.111
  215    HZ   PHE  29           HZ       PHE  29  11.562  -2.337   1.141
  216    H    ASP  30           H        ASP  30   9.312  -0.279  -6.243
  217    HA   ASP  30           HA       ASP  30   8.124  -2.022  -8.339
  218   1HB   ASP  30          1HB       ASP  30   6.776  -0.171  -7.499
  219   2HB   ASP  30          2HB       ASP  30   7.992   1.010  -7.929
  220    H    ALA  31           H        ALA  31   8.295  -1.385 -10.669
  221    HA   ALA  31           HA       ALA  31  11.079  -1.575 -11.622
  222   1HB   ALA  31          1HB       ALA  31  10.072  -1.571 -13.908
  223   2HB   ALA  31          2HB       ALA  31   9.228  -2.690 -12.819
  224   3HB   ALA  31          3HB       ALA  31   8.484  -1.125 -13.238
  225    H    ASP  32           H        ASP  32   8.683   0.783 -12.772
  226    HA   ASP  32           HA       ASP  32  10.373   3.166 -12.030
  227   1HB   ASP  32          1HB       ASP  32  10.076   2.297 -14.933
  228   2HB   ASP  32          2HB       ASP  32  11.507   2.809 -14.067
  229    H    GLY  33           H        GLY  33   7.841   2.580 -14.488
  230   1HA   GLY  33          1HA       GLY  33   5.967   4.520 -13.010
  231   2HA   GLY  33          2HA       GLY  33   5.987   4.321 -14.765
  232    H    GLY  34           H        GLY  34   6.259   1.637 -12.490
  233   1HA   GLY  34          1HA       GLY  34   4.879  -0.318 -12.108
  234   2HA   GLY  34          2HA       GLY  34   4.284  -0.069 -13.753
  235    H    GLY  35           H        GLY  35   3.915   1.168 -10.438
  236   1HA   GLY  35          1HA       GLY  35   0.924   1.687 -10.953
  237   2HA   GLY  35          2HA       GLY  35   1.891   2.713  -9.888
  238    H    ASP  36           H        ASP  36   1.967  -0.822 -10.184
  239    HA   ASP  36           HA       ASP  36   1.205  -1.098  -7.232
  240   1HB   ASP  36          1HB       ASP  36  -0.533  -2.484  -7.588
  241   2HB   ASP  36          2HB       ASP  36  -0.552  -1.830  -9.210
  242    H    ILE  37           H        ILE  37   1.987  -3.075  -6.266
  243    HA   ILE  37           HA       ILE  37   4.328  -4.491  -7.594
  244    HB   ILE  37           HB       ILE  37   5.797  -4.167  -5.581
  245   1HG1  ILE  37          1HG1      ILE  37   4.910  -1.552  -4.685
  246   2HG1  ILE  37          2HG1      ILE  37   3.524  -2.612  -4.544
  247   1HG2  ILE  37          1HG2      ILE  37   6.750  -2.000  -6.379
  248   2HG2  ILE  37          2HG2      ILE  37   6.204  -2.970  -7.755
  249   3HG2  ILE  37          3HG2      ILE  37   5.225  -1.591  -7.202
  250   1HD1  ILE  37          1HD1      ILE  37   6.234  -3.128  -3.189
  251   2HD1  ILE  37          2HD1      ILE  37   4.709  -2.635  -2.422
  252   3HD1  ILE  37          3HD1      ILE  37   4.848  -4.251  -3.152
  253    H    SER  38           H        SER  38   4.979  -6.360  -6.236
  254    HA   SER  38           HA       SER  38   2.710  -7.999  -5.400
  255   1HB   SER  38          1HB       SER  38   4.212  -9.620  -5.731
  256   2HB   SER  38          2HB       SER  38   5.127  -9.111  -4.295
  257    HG   SER  38           HG       SER  38   5.419  -8.239  -6.964
  258    H    THR  39           H        THR  39   2.018  -8.625  -3.410
  259    HA   THR  39           HA       THR  39   2.280  -6.686  -1.158
  260    HB   THR  39           HB       THR  39   0.102  -7.751  -1.712
  261    HG1  THR  39           HG1      THR  39   0.131  -8.614   0.744
  262   1HG2  THR  39          1HG2      THR  39  -0.493 -10.006  -0.943
  263   2HG2  THR  39          2HG2      THR  39   0.827 -10.140  -2.127
  264   3HG2  THR  39          3HG2      THR  39   1.166 -10.322  -0.385
  265    H    LYS  40           H        LYS  40   3.527  -9.862  -1.999
  266    HA   LYS  40           HA       LYS  40   4.338 -10.977   0.498
  267   1HB   LYS  40          1HB       LYS  40   4.703 -11.720  -2.130
  268   2HB   LYS  40          2HB       LYS  40   6.344 -11.242  -1.753
  269   1HG   LYS  40          1HG       LYS  40   6.115 -12.836   0.345
  270   2HG   LYS  40          2HG       LYS  40   4.672 -13.452  -0.436
  271   1HD   LYS  40          1HD       LYS  40   6.320 -13.808  -2.555
  272   2HD   LYS  40          2HD       LYS  40   7.577 -13.671  -1.336
  273   1HE   LYS  40          1HE       LYS  40   6.823 -15.629  -0.119
  274   2HE   LYS  40          2HE       LYS  40   5.286 -15.696  -0.983
  275   1HZ   LYS  40          1HZ       LYS  40   6.588 -17.291  -2.024
  276   2HZ   LYS  40          2HZ       LYS  40   6.795 -16.015  -3.054
  277   3HZ   LYS  40          3HZ       LYS  40   7.981 -16.405  -1.972
  278    H    GLU  41           H        GLU  41   5.805  -8.393  -1.390
  279    HA   GLU  41           HA       GLU  41   8.195  -8.189   0.481
  280   1HB   GLU  41          1HB       GLU  41   8.891  -6.384  -1.334
  281   2HB   GLU  41          2HB       GLU  41   7.658  -7.142  -2.323
  282   1HG   GLU  41          1HG       GLU  41   8.855  -9.391  -2.029
  283   2HG   GLU  41          2HG       GLU  41  10.109  -8.575  -1.112
  284    H    LEU  42           H        LEU  42   5.291  -6.497  -0.532
  285    HA   LEU  42           HA       LEU  42   5.559  -3.827   0.130
  286   1HB   LEU  42          1HB       LEU  42   3.318  -5.717   0.095
  287   2HB   LEU  42          2HB       LEU  42   3.376  -4.039  -0.405
  288    HG   LEU  42           HG       LEU  42   3.125  -4.731   2.572
  289   1HD1  LEU  42          1HD1      LEU  42   1.953  -2.512   2.675
  290   2HD1  LEU  42          2HD1      LEU  42   3.590  -2.344   2.024
  291   3HD1  LEU  42          3HD1      LEU  42   2.191  -2.288   0.923
  292   1HD2  LEU  42          1HD2      LEU  42   0.752  -4.549   0.595
  293   2HD2  LEU  42          2HD2      LEU  42   1.296  -6.017   1.444
  294   3HD2  LEU  42          3HD2      LEU  42   0.631  -4.660   2.370
  295    H    GLY  43           H        GLY  43   5.158  -6.475   2.478
  296   1HA   GLY  43          1HA       GLY  43   5.475  -6.573   4.895
  297   2HA   GLY  43          2HA       GLY  43   5.028  -4.865   4.913
  298    H    THR  44           H        THR  44   7.785  -6.617   3.421
  299    HA   THR  44           HA       THR  44   9.939  -5.915   5.051
  300    HB   THR  44           HB       THR  44   9.791  -6.354   2.086
  301    HG1  THR  44           HG1      THR  44  10.575  -7.577   4.350
  302   1HG2  THR  44          1HG2      THR  44  12.248  -6.021   1.791
  303   2HG2  THR  44          2HG2      THR  44  11.427  -4.478   2.107
  304   3HG2  THR  44          3HG2      THR  44  12.356  -5.272   3.404
  305    H    VAL  45           H        VAL  45   8.133  -3.879   2.826
  306    HA   VAL  45           HA       VAL  45   9.929  -1.513   2.921
  307    HB   VAL  45           HB       VAL  45   8.659  -0.561   1.333
  308   1HG1  VAL  45          1HG1      VAL  45   5.986  -1.606   2.459
  309   2HG1  VAL  45          2HG1      VAL  45   6.714  -0.072   2.952
  310   3HG1  VAL  45          3HG1      VAL  45   6.232  -0.312   1.257
  311   1HG2  VAL  45          1HG2      VAL  45   7.555  -2.097  -0.209
  312   2HG2  VAL  45          2HG2      VAL  45   8.874  -3.017   0.552
  313   3HG2  VAL  45          3HG2      VAL  45   7.207  -3.272   1.087
  314    H    MET  46           H        MET  46   6.838  -2.462   4.440
  315    HA   MET  46           HA       MET  46   6.241  -0.259   6.161
  316   1HB   MET  46          1HB       MET  46   6.074  -3.175   7.105
  317   2HB   MET  46          2HB       MET  46   5.157  -1.804   7.702
  318   1HG   MET  46          1HG       MET  46   4.008  -3.492   6.016
  319   2HG   MET  46          2HG       MET  46   4.898  -2.620   4.758
  320   1HE   MET  46          1HE       MET  46   0.971  -1.430   6.607
  321   2HE   MET  46          2HE       MET  46   1.748  -3.022   6.361
  322   3HE   MET  46          3HE       MET  46   2.156  -2.046   7.802
  323    NH1  ARG  47           NH1      ARG  47  10.216  -8.154  10.992
  324    NH2  ARG  47           NH2      ARG  47  12.454  -8.395  10.687
  325    H    ARG  47           H        ARG  47   8.807  -2.662   6.376
  326    HA   ARG  47           HA       ARG  47   9.706  -1.880   9.146
  327   1HB   ARG  47          1HB       ARG  47  10.427  -4.040   7.165
  328   2HB   ARG  47          2HB       ARG  47  11.736  -3.475   8.192
  329   1HG   ARG  47          1HG       ARG  47   9.070  -4.200   9.496
  330   2HG   ARG  47          2HG       ARG  47  10.678  -4.153  10.222
  331   1HD   ARG  47          1HD       ARG  47   9.372  -6.465   9.239
  332   2HD   ARG  47          2HD       ARG  47  10.515  -6.101   7.949
  333    HE   ARG  47           HE       ARG  47  12.303  -6.009   9.959
  334   1HH1  ARG  47          1HH1      ARG  47  10.254  -9.080  11.432
  335   2HH1  ARG  47          2HH1      ARG  47   9.391  -7.550  10.899
  336   1HH2  ARG  47          1HH2      ARG  47  13.312  -8.042  10.249
  337   2HH2  ARG  47          2HH2      ARG  47  12.362  -9.235  11.268
  338    H    MET  48           H        MET  48  10.760  -1.488   5.781
  339    HA   MET  48           HA       MET  48  13.321  -0.099   6.473
  340   1HB   MET  48          1HB       MET  48  12.526  -1.513   4.243
  341   2HB   MET  48          2HB       MET  48  12.272   0.123   3.661
  342   1HG   MET  48          1HG       MET  48  14.689  -1.211   3.509
  343   2HG   MET  48          2HG       MET  48  14.933  -0.317   5.018
  344   1HE   MET  48          1HE       MET  48  15.594   2.739   4.759
  345   2HE   MET  48          2HE       MET  48  16.450   1.169   4.777
  346   3HE   MET  48          3HE       MET  48  16.763   2.338   3.461
  347    H    LEU  49           H        LEU  49  10.208   0.925   6.744
  348    HA   LEU  49           HA       LEU  49  10.678   3.797   5.856
  349   1HB   LEU  49          1HB       LEU  49   8.260   4.010   6.971
  350   2HB   LEU  49          2HB       LEU  49   8.235   2.264   6.856
  351    HG   LEU  49           HG       LEU  49   8.231   2.263   4.464
  352   1HD1  LEU  49          1HD1      LEU  49   6.328   3.750   3.821
  353   2HD1  LEU  49          2HD1      LEU  49   6.041   3.019   5.411
  354   3HD1  LEU  49          3HD1      LEU  49   6.553   4.721   5.298
  355   1HD2  LEU  49          1HD2      LEU  49   9.064   5.242   4.480
  356   2HD2  LEU  49          2HD2      LEU  49  10.094   3.866   4.012
  357   3HD2  LEU  49          3HD2      LEU  49   8.680   4.279   3.030
  358    H    GLY  50           H        GLY  50  10.317   1.739   8.704
  359   1HA   GLY  50          1HA       GLY  50  12.122   2.598  10.531
  360   2HA   GLY  50          2HA       GLY  50  11.101   4.039  10.563
  361    H    GLN  51           H        GLN  51  10.207   0.601  10.323
  362    HA   GLN  51           HA       GLN  51   8.573   0.815  12.920
  363   1HB   GLN  51          1HB       GLN  51   7.647  -0.705  10.414
  364   2HB   GLN  51          2HB       GLN  51   6.782  -0.520  11.929
  365   1HG   GLN  51          1HG       GLN  51   7.017   2.127  11.358
  366   2HG   GLN  51          2HG       GLN  51   7.198   1.532   9.721
  367   1HE2  GLN  51          1HE2      GLN  51   3.487   2.080  10.752
  368   2HE2  GLN  51          2HE2      GLN  51   5.004   3.070  11.042
  369    H    ASN  52           H        ASN  52   7.985  -1.446  13.672
  370    HA   ASN  52           HA       ASN  52  10.011  -3.591  12.979
  371   1HB   ASN  52          1HB       ASN  52   9.596  -2.901  15.917
  372   2HB   ASN  52          2HB       ASN  52  10.875  -3.852  15.194
  373   1HD2  ASN  52          1HD2      ASN  52  11.215   0.234  15.587
  374   2HD2  ASN  52          2HD2      ASN  52   9.700  -0.691  16.050
  375    HA   PRO  53           HA       PRO  53   5.562  -5.093  14.352
  376   1HB   PRO  53          1HB       PRO  53   4.363  -5.754  11.964
  377   2HB   PRO  53          2HB       PRO  53   4.390  -4.113  12.630
  378   1HG   PRO  53          1HG       PRO  53   6.225  -5.276  10.477
  379   2HG   PRO  53          2HG       PRO  53   5.360  -3.722  10.453
  380   1HD   PRO  53          1HD       PRO  53   8.037  -3.964  11.202
  381   2HD   PRO  53          2HD       PRO  53   6.977  -2.691  11.880
  382    H    THR  54           H        THR  54   4.555  -7.330  13.007
  383    HA   THR  54           HA       THR  54   6.760  -9.400  13.472
  384    HB   THR  54           HB       THR  54   3.947 -10.386  13.535
  385    HG1  THR  54           HG1      THR  54   3.577  -9.572  15.549
  386   1HG2  THR  54          1HG2      THR  54   4.738 -11.667  15.498
  387   2HG2  THR  54          2HG2      THR  54   5.876 -11.877  14.147
  388   3HG2  THR  54          3HG2      THR  54   6.288 -10.792  15.500
  389    H    LYS  55           H        LYS  55   6.970 -11.094  12.038
  390    HA   LYS  55           HA       LYS  55   6.349 -10.615   9.179
  391   1HB   LYS  55          1HB       LYS  55   7.152 -13.203   9.107
  392   2HB   LYS  55          2HB       LYS  55   7.726 -12.850  10.723
  393   1HG   LYS  55          1HG       LYS  55   9.306 -11.223   9.953
  394   2HG   LYS  55          2HG       LYS  55   8.480 -10.977   8.427
  395   1HD   LYS  55          1HD       LYS  55   9.151 -13.594   8.031
  396   2HD   LYS  55          2HD       LYS  55  10.202 -12.248   7.620
  397   1HE   LYS  55          1HE       LYS  55  10.985 -12.627  10.250
  398   2HE   LYS  55          2HE       LYS  55  10.534 -14.280   9.829
  399   1HZ   LYS  55          1HZ       LYS  55  12.696 -12.623   8.759
  400   2HZ   LYS  55          2HZ       LYS  55  12.670 -14.243   9.078
  401   3HZ   LYS  55          3HZ       LYS  55  11.983 -13.663   7.692
  402    H    GLU  56           H        GLU  56   5.024 -12.585  11.788
  403    HA   GLU  56           HA       GLU  56   3.128 -14.246  10.327
  404   1HB   GLU  56          1HB       GLU  56   2.758 -13.160  13.167
  405   2HB   GLU  56          2HB       GLU  56   1.899 -14.508  12.449
  406   1HG   GLU  56          1HG       GLU  56   3.970 -14.929  14.078
  407   2HG   GLU  56          2HG       GLU  56   4.958 -14.601  12.664
  408    H    GLU  57           H        GLU  57   3.051 -10.901  11.412
  409    HA   GLU  57           HA       GLU  57   0.151 -10.417  11.090
  410   1HB   GLU  57          1HB       GLU  57   0.644  -8.027  11.346
  411   2HB   GLU  57          2HB       GLU  57   2.355  -8.288  11.073
  412   1HG   GLU  57          1HG       GLU  57   2.008  -9.951  13.258
  413   2HG   GLU  57          2HG       GLU  57   2.498  -8.268  13.360
  414    H    LEU  58           H        LEU  58   2.989 -10.169   9.015
  415    HA   LEU  58           HA       LEU  58   1.830  -8.769   6.726
  416   1HB   LEU  58          1HB       LEU  58   4.194  -8.924   6.719
  417   2HB   LEU  58          2HB       LEU  58   4.207 -10.640   7.066
  418    HG   LEU  58           HG       LEU  58   3.161  -9.574   4.380
  419   1HD1  LEU  58          1HD1      LEU  58   4.383 -12.323   5.059
  420   2HD1  LEU  58          2HD1      LEU  58   2.643 -12.000   5.064
  421   3HD1  LEU  58          3HD1      LEU  58   3.565 -11.846   3.549
  422   1HD2  LEU  58          1HD2      LEU  58   5.401  -9.880   3.384
  423   2HD2  LEU  58          2HD2      LEU  58   5.551  -8.752   4.755
  424   3HD2  LEU  58          3HD2      LEU  58   6.072 -10.437   4.938
  425    H    ASP  59           H        ASP  59   1.809 -12.126   7.787
  426    HA   ASP  59           HA       ASP  59   0.690 -13.356   5.369
  427   1HB   ASP  59          1HB       ASP  59   0.851 -14.327   8.263
  428   2HB   ASP  59          2HB       ASP  59  -0.048 -15.231   7.066
  429    H    ALA  60           H        ALA  60  -0.747 -12.011   8.327
  430    HA   ALA  60           HA       ALA  60  -3.561 -12.735   7.854
  431   1HB   ALA  60          1HB       ALA  60  -4.090 -10.982   9.542
  432   2HB   ALA  60          2HB       ALA  60  -2.764 -12.028  10.087
  433   3HB   ALA  60          3HB       ALA  60  -2.414 -10.385   9.493
  434    H    ILE  61           H        ILE  61  -1.544  -9.946   6.972
  435    HA   ILE  61           HA       ILE  61  -3.403  -8.117   5.887
  436    HB   ILE  61           HB       ILE  61  -0.575  -8.667   4.869
  437   1HG1  ILE  61          1HG1      ILE  61  -0.580  -6.140   6.117
  438   2HG1  ILE  61          2HG1      ILE  61   0.076  -7.619   6.784
  439   1HG2  ILE  61          1HG2      ILE  61  -0.667  -6.437   3.723
  440   2HG2  ILE  61          2HG2      ILE  61  -1.876  -7.531   3.054
  441   3HG2  ILE  61          3HG2      ILE  61  -2.378  -6.251   4.183
  442   1HD1  ILE  61          1HD1      ILE  61  -1.995  -8.108   8.055
  443   2HD1  ILE  61          2HD1      ILE  61  -1.407  -6.471   8.415
  444   3HD1  ILE  61          3HD1      ILE  61  -2.801  -6.689   7.332
  445    H    ILE  62           H        ILE  62  -2.102 -11.112   4.568
  446    HA   ILE  62           HA       ILE  62  -3.138 -10.772   1.792
  447    HB   ILE  62           HB       ILE  62  -1.719 -13.009   3.263
  448   1HG1  ILE  62          1HG1      ILE  62  -0.429 -12.769   0.841
  449   2HG1  ILE  62          2HG1      ILE  62  -1.097 -11.153   0.937
  450   1HG2  ILE  62          1HG2      ILE  62  -1.960 -14.557   1.304
  451   2HG2  ILE  62          2HG2      ILE  62  -3.536 -14.216   2.014
  452   3HG2  ILE  62          3HG2      ILE  62  -3.060 -13.406   0.505
  453   1HD1  ILE  62          1HD1      ILE  62   0.793 -12.366   3.038
  454   2HD1  ILE  62          2HD1      ILE  62   1.153 -11.093   1.854
  455   3HD1  ILE  62          3HD1      ILE  62   0.007 -10.769   3.175
  456    H    GLU  63           H        GLU  63  -4.170 -12.403   4.756
  457    HA   GLU  63           HA       GLU  63  -6.529 -13.803   3.767
  458   1HB   GLU  63          1HB       GLU  63  -6.082 -12.608   6.553
  459   2HB   GLU  63          2HB       GLU  63  -5.552 -14.191   6.018
  460   1HG   GLU  63          1HG       GLU  63  -8.199 -14.539   5.492
  461   2HG   GLU  63          2HG       GLU  63  -8.379 -13.230   6.648
  462    H    GLU  64           H        GLU  64  -5.900 -10.433   4.486
  463    HA   GLU  64           HA       GLU  64  -8.750  -9.572   4.618
  464   1HB   GLU  64          1HB       GLU  64  -6.351  -7.705   4.326
  465   2HB   GLU  64          2HB       GLU  64  -6.715  -8.513   5.838
  466   1HG   GLU  64          1HG       GLU  64  -7.673  -6.299   5.988
  467   2HG   GLU  64          2HG       GLU  64  -8.380  -6.384   4.384
  468    H    VAL  65           H        VAL  65  -6.083  -8.594   2.434
  469    HA   VAL  65           HA       VAL  65  -7.891  -7.361   0.442
  470    HB   VAL  65           HB       VAL  65  -5.554  -6.555   0.896
  471   1HG1  VAL  65          1HG1      VAL  65  -6.016  -7.144  -2.099
  472   2HG1  VAL  65          2HG1      VAL  65  -6.910  -5.912  -1.189
  473   3HG1  VAL  65          3HG1      VAL  65  -5.147  -5.763  -1.384
  474   1HG2  VAL  65          1HG2      VAL  65  -3.571  -7.573  -0.111
  475   2HG2  VAL  65          2HG2      VAL  65  -4.376  -8.857   0.823
  476   3HG2  VAL  65          3HG2      VAL  65  -4.536  -8.820  -0.939
  477    H    ASP  66           H        ASP  66  -5.910 -10.337   0.543
  478    HA   ASP  66           HA       ASP  66  -7.160 -11.390  -1.999
  479   1HB   ASP  66          1HB       ASP  66  -4.596 -11.642  -1.098
  480   2HB   ASP  66          2HB       ASP  66  -5.251 -13.110  -0.410
  481    H    GLU  67           H        GLU  67  -9.045 -11.004  -0.127
  482    HA   GLU  67           HA       GLU  67  -9.772 -13.603   1.223
  483   1HB   GLU  67          1HB       GLU  67 -10.501 -11.820   2.524
  484   2HB   GLU  67          2HB       GLU  67 -10.983 -10.835   1.157
  485   1HG   GLU  67          1HG       GLU  67 -13.078 -12.024   0.874
  486   2HG   GLU  67          2HG       GLU  67 -12.541 -13.394   1.831
  487    H    ASP  68           H        ASP  68 -10.749 -11.619  -1.554
  488    HA   ASP  68           HA       ASP  68 -11.739 -14.030  -3.071
  489   1HB   ASP  68          1HB       ASP  68 -13.746 -13.425  -1.722
  490   2HB   ASP  68          2HB       ASP  68 -14.004 -13.315  -3.448
  491    H    GLY  69           H        GLY  69  -9.550 -12.360  -3.441
  492   1HA   GLY  69          1HA       GLY  69  -9.397 -10.014  -4.917
  493   2HA   GLY  69          2HA       GLY  69 -10.188 -11.052  -6.108
  494    H    SER  70           H        SER  70  -7.582  -9.821  -6.227
  495    HA   SER  70           HA       SER  70  -5.864 -12.294  -6.771
  496   1HB   SER  70          1HB       SER  70  -5.189  -9.623  -8.018
  497   2HB   SER  70          2HB       SER  70  -6.639 -10.452  -8.590
  498    HG   SER  70           HG       SER  70  -4.974 -12.358  -8.485
  499    H    GLY  71           H        GLY  71  -3.410 -11.247  -6.978
  500   1HA   GLY  71          1HA       GLY  71  -1.614 -11.222  -5.179
  501   2HA   GLY  71          2HA       GLY  71  -2.730 -10.325  -4.144
  502    H    THR  72           H        THR  72  -3.659  -8.342  -5.715
  503    HA   THR  72           HA       THR  72  -1.232  -6.829  -6.761
  504    HB   THR  72           HB       THR  72  -2.677  -5.427  -8.107
  505    HG1  THR  72           HG1      THR  72  -4.678  -5.301  -7.799
  506   1HG2  THR  72          1HG2      THR  72  -2.097  -7.318  -9.455
  507   2HG2  THR  72          2HG2      THR  72  -3.166  -8.423  -8.562
  508   3HG2  THR  72          3HG2      THR  72  -3.860  -7.183  -9.639
  509    H    ILE  73           H        ILE  73  -0.879  -4.706  -6.132
  510    HA   ILE  73           HA       ILE  73  -2.448  -3.562  -3.845
  511    HB   ILE  73           HB       ILE  73   0.469  -4.367  -3.489
  512   1HG1  ILE  73          1HG1      ILE  73  -1.421  -6.086  -3.078
  513   2HG1  ILE  73          2HG1      ILE  73  -0.197  -5.880  -1.838
  514   1HG2  ILE  73          1HG2      ILE  73   0.554  -3.234  -1.299
  515   2HG2  ILE  73          2HG2      ILE  73   0.176  -2.038  -2.546
  516   3HG2  ILE  73          3HG2      ILE  73  -1.113  -2.641  -1.476
  517   1HD1  ILE  73          1HD1      ILE  73  -2.934  -4.480  -1.627
  518   2HD1  ILE  73          2HD1      ILE  73  -2.576  -6.082  -0.946
  519   3HD1  ILE  73          3HD1      ILE  73  -1.694  -4.654  -0.355
  520    H    ASP  74           H        ASP  74  -2.927  -1.683  -4.695
  521    HA   ASP  74           HA       ASP  74  -0.936  -0.027  -6.280
  522   1HB   ASP  74          1HB       ASP  74  -2.563   1.213  -7.160
  523   2HB   ASP  74          2HB       ASP  74  -3.445   1.328  -5.665
  524    H    PHE  75           H        PHE  75  -1.192   2.436  -5.669
  525    HA   PHE  75           HA       PHE  75   0.169   2.616  -3.002
  526   1HB   PHE  75          1HB       PHE  75  -0.111   4.604  -5.322
  527   2HB   PHE  75          2HB       PHE  75   1.298   3.671  -4.892
  528    HD1  PHE  75           HD1      PHE  75  -0.243   6.865  -4.613
  529    HD2  PHE  75           HD2      PHE  75   2.164   4.147  -2.302
  530    HE1  PHE  75           HE1      PHE  75   0.708   8.756  -3.360
  531    HE2  PHE  75           HE2      PHE  75   3.086   6.053  -1.043
  532    HZ   PHE  75           HZ       PHE  75   2.330   8.351  -1.539
  533    H    GLU  76           H        GLU  76  -2.884   3.426  -4.480
  534    HA   GLU  76           HA       GLU  76  -3.888   5.429  -2.575
  535   1HB   GLU  76          1HB       GLU  76  -5.985   5.224  -3.564
  536   2HB   GLU  76          2HB       GLU  76  -5.819   3.511  -3.893
  537   1HG   GLU  76          1HG       GLU  76  -3.942   5.360  -5.413
  538   2HG   GLU  76          2HG       GLU  76  -4.673   3.848  -5.924
  539    H    GLU  77           H        GLU  77  -4.518   1.921  -2.851
  540    HA   GLU  77           HA       GLU  77  -5.743   1.543  -0.194
  541   1HB   GLU  77          1HB       GLU  77  -5.695  -0.043  -2.350
  542   2HB   GLU  77          2HB       GLU  77  -4.286  -0.735  -1.569
  543   1HG   GLU  77          1HG       GLU  77  -5.766  -1.097   0.548
  544   2HG   GLU  77          2HG       GLU  77  -7.145  -0.608  -0.424
  545    H    PHE  78           H        PHE  78  -2.456   1.686  -1.401
  546    HA   PHE  78           HA       PHE  78  -0.997   0.472   0.795
  547   1HB   PHE  78          1HB       PHE  78  -0.125   2.705  -1.128
  548   2HB   PHE  78          2HB       PHE  78   0.064   0.990  -1.382
  549    HD1  PHE  78           HD1      PHE  78   2.084   3.569  -1.020
  550    HD2  PHE  78           HD2      PHE  78   1.110   0.128   1.371
  551    HE1  PHE  78           HE1      PHE  78   4.350   3.583  -0.056
  552    HE2  PHE  78           HE2      PHE  78   3.363   0.187   2.358
  553    HZ   PHE  78           HZ       PHE  78   4.995   1.892   1.627
  554    H    LEU  79           H        LEU  79  -2.117   3.808   0.254
  555    HA   LEU  79           HA       LEU  79  -0.989   4.983   2.743
  556   1HB   LEU  79          1HB       LEU  79  -3.284   6.015   0.973
  557   2HB   LEU  79          2HB       LEU  79  -2.529   6.915   2.269
  558    HG   LEU  79           HG       LEU  79  -0.964   5.920  -0.190
  559   1HD1  LEU  79          1HD1      LEU  79  -1.176   8.230  -1.119
  560   2HD1  LEU  79          2HD1      LEU  79  -2.773   7.478  -0.947
  561   3HD1  LEU  79          3HD1      LEU  79  -2.240   8.704   0.230
  562   1HD2  LEU  79          1HD2      LEU  79  -0.253   8.060   1.927
  563   2HD2  LEU  79          2HD2      LEU  79   0.511   6.460   1.752
  564   3HD2  LEU  79          3HD2      LEU  79   0.711   7.673   0.480
  565    H    VAL  80           H        VAL  80  -3.945   3.335   1.805
  566    HA   VAL  80           HA       VAL  80  -5.639   4.113   4.072
  567    HB   VAL  80           HB       VAL  80  -5.913   1.692   2.218
  568   1HG1  VAL  80          1HG1      VAL  80  -8.303   1.580   2.960
  569   2HG1  VAL  80          2HG1      VAL  80  -7.210   1.279   4.317
  570   3HG1  VAL  80          3HG1      VAL  80  -8.008   2.861   4.164
  571   1HG2  VAL  80          1HG2      VAL  80  -7.387   4.405   2.107
  572   2HG2  VAL  80          2HG2      VAL  80  -6.121   3.878   0.974
  573   3HG2  VAL  80          3HG2      VAL  80  -7.662   3.011   1.035
  574    H    MET  81           H        MET  81  -3.325   1.518   3.486
  575    HA   MET  81           HA       MET  81  -4.050  -0.104   5.901
  576   1HB   MET  81          1HB       MET  81  -2.980  -0.905   3.583
  577   2HB   MET  81          2HB       MET  81  -2.693  -1.752   5.092
  578   1HG   MET  81          1HG       MET  81  -0.746   0.270   3.806
  579   2HG   MET  81          2HG       MET  81  -0.469  -0.556   5.348
  580   1HE   MET  81          1HE       MET  81  -0.791  -4.421   3.999
  581   2HE   MET  81          2HE       MET  81  -0.987  -3.378   5.439
  582   3HE   MET  81          3HE       MET  81  -2.254  -3.403   4.178
  583    H    MET  82           H        MET  82  -1.667   2.314   4.967
  584    HA   MET  82           HA       MET  82   0.245   1.968   7.165
  585   1HB   MET  82          1HB       MET  82   1.159   4.184   6.540
  586   2HB   MET  82          2HB       MET  82  -0.261   4.547   5.577
  587   1HG   MET  82          1HG       MET  82   0.655   2.097   4.452
  588   2HG   MET  82          2HG       MET  82   0.860   3.720   3.776
  589   1HE   MET  82          1HE       MET  82   3.943   1.764   6.710
  590   2HE   MET  82          2HE       MET  82   2.682   2.866   7.338
  591   3HE   MET  82          3HE       MET  82   2.212   1.323   6.568
  592    H    VAL  83           H        VAL  83  -2.509   4.179   6.676
  593    HA   VAL  83           HA       VAL  83  -2.326   5.696   9.173
  594    HB   VAL  83           HB       VAL  83  -4.549   5.252   7.171
  595   1HG1  VAL  83          1HG1      VAL  83  -3.383   7.882   8.279
  596   2HG1  VAL  83          2HG1      VAL  83  -2.719   7.048   6.867
  597   3HG1  VAL  83          3HG1      VAL  83  -4.389   7.659   6.825
  598   1HG2  VAL  83          1HG2      VAL  83  -6.200   6.539   8.428
  599   2HG2  VAL  83          2HG2      VAL  83  -5.691   5.207   9.490
  600   3HG2  VAL  83          3HG2      VAL  83  -5.063   6.838   9.768
  601    NH1  ARG  84           NH1      ARG  84  -9.692  -2.114   8.344
  602    NH2  ARG  84           NH2      ARG  84  -9.708  -1.854   6.087
  603    H    ARG  84           H        ARG  84  -4.130   2.755   8.249
  604    HA   ARG  84           HA       ARG  84  -5.597   2.118  10.647
  605   1HB   ARG  84          1HB       ARG  84  -4.867  -0.402   9.889
  606   2HB   ARG  84          2HB       ARG  84  -4.387   0.454   8.431
  607   1HG   ARG  84          1HG       ARG  84  -7.184   0.922   9.577
  608   2HG   ARG  84          2HG       ARG  84  -6.609   1.206   7.933
  609   1HD   ARG  84          1HD       ARG  84  -6.140  -1.488   8.015
  610   2HD   ARG  84          2HD       ARG  84  -7.399  -1.431   9.247
  611    HE   ARG  84           HE       ARG  84  -7.978  -0.128   6.555
  612   1HH1  ARG  84          1HH1      ARG  84 -10.498  -2.732   8.201
  613   2HH1  ARG  84          2HH1      ARG  84  -9.278  -1.842   9.242
  614   1HH2  ARG  84          1HH2      ARG  84  -9.251  -1.463   5.255
  615   2HH2  ARG  84          2HH2      ARG  84 -10.568  -2.413   6.110
  616    H    GLN  85           H        GLN  85  -2.255   1.161   9.774
  617    HA   GLN  85           HA       GLN  85  -1.639  -0.330  12.222
  618   1HB   GLN  85          1HB       GLN  85  -0.035   0.741   9.903
  619   2HB   GLN  85          2HB       GLN  85   0.854   0.491  11.395
  620   1HG   GLN  85          1HG       GLN  85   0.774  -1.464   9.678
  621   2HG   GLN  85          2HG       GLN  85  -0.885  -1.730  10.170
  622   1HE2  GLN  85          1HE2      GLN  85   0.053  -3.195  13.363
  623   2HE2  GLN  85          2HE2      GLN  85  -1.261  -2.251  12.497
  624    H    MET  86           H        MET  86  -1.363   3.060  11.301
  625    HA   MET  86           HA       MET  86   0.449   4.054  13.352
  626   1HB   MET  86          1HB       MET  86  -1.805   5.843  12.374
  627   2HB   MET  86          2HB       MET  86  -0.653   5.240  11.196
  628   1HG   MET  86          1HG       MET  86   0.597   7.083  11.740
  629   2HG   MET  86          2HG       MET  86   1.089   6.172  13.177
  630   1HE   MET  86          1HE       MET  86   1.292   7.174  15.099
  631   2HE   MET  86          2HE       MET  86   1.315   8.913  14.680
  632   3HE   MET  86          3HE       MET  86   0.200   8.316  15.944
  633    H    LYS  87           H        LYS  87  -3.067   3.600  13.291
  634    HA   LYS  87           HA       LYS  87  -3.680   4.784  15.938
  635   1HB   LYS  87          1HB       LYS  87  -5.199   3.170  13.902
  636   2HB   LYS  87          2HB       LYS  87  -5.745   2.964  15.552
  637   1HG   LYS  87          1HG       LYS  87  -6.497   4.995  13.764
  638   2HG   LYS  87          2HG       LYS  87  -5.342   5.833  14.780
  639   1HD   LYS  87          1HD       LYS  87  -8.030   4.597  15.568
  640   2HD   LYS  87          2HD       LYS  87  -6.771   4.739  16.785
  641   1HE   LYS  87          1HE       LYS  87  -6.613   7.210  16.433
  642   2HE   LYS  87          2HE       LYS  87  -7.825   7.140  15.153
  643   1HZ   LYS  87          1HZ       LYS  87  -8.184   6.777  18.055
  644   2HZ   LYS  87          2HZ       LYS  87  -9.073   7.680  16.995
  645   3HZ   LYS  87          3HZ       LYS  87  -9.255   6.038  17.037
  646    H    GLU  88           H        GLU  88  -3.115   1.472  14.733
  647    HA   GLU  88           HA       GLU  88  -2.329  -0.522  15.821
  648   1HB   GLU  88          1HB       GLU  88  -0.794   1.324  16.924
  649   2HB   GLU  88          2HB       GLU  88  -1.780   1.079  18.352
  650   1HG   GLU  88          1HG       GLU  88  -0.943  -1.096  18.752
  651   2HG   GLU  88          2HG       GLU  88  -0.611  -1.415  17.058
  652    H    ASP  89           H        ASP  89  -2.747  -1.729  18.046
  653    HA   ASP  89           HA       ASP  89  -5.708  -2.054  18.242
  654   1HB   ASP  89          1HB       ASP  89  -3.597  -3.490  19.948
  655   2HB   ASP  89          2HB       ASP  89  -4.029  -3.989  18.329
  656    H    ALA  90           H        ALA  90  -3.092  -1.156  20.503
  657    HA   ALA  90           HA       ALA  90  -5.062   0.545  22.123
  658   1HB   ALA  90          1HB       ALA  90  -4.403  -1.824  23.191
  659   2HB   ALA  90          2HB       ALA  90  -2.870  -1.019  23.582
  660   3HB   ALA  90          3HB       ALA  90  -4.400  -0.373  24.224
   
  Start of MODEL          22
 Raw file had  660 H/Q atoms
  Start of MODEL   22
    1   1H    ALA   1          1H        ALA   1 -22.910   3.789   7.998
    2   2H    ALA   1          2H        ALA   1 -21.542   4.340   8.805
    3   3H    ALA   1          3H        ALA   1 -22.693   5.436   8.257
    4    HA   ALA   1           HA       ALA   1 -22.256   4.604   5.958
    5   1HB   ALA   1          1HB       ALA   1 -20.701   6.346   5.609
    6   2HB   ALA   1          2HB       ALA   1 -21.392   6.819   7.173
    7   3HB   ALA   1          3HB       ALA   1 -19.796   6.028   7.108
    8    H    SER   2           H        SER   2 -20.284   3.950   4.685
    9    HA   SER   2           HA       SER   2 -18.811   1.601   6.006
   10   1HB   SER   2          1HB       SER   2 -19.031   1.503   3.037
   11   2HB   SER   2          2HB       SER   2 -19.258   0.236   4.246
   12    HG   SER   2           HG       SER   2 -21.195   0.680   3.325
   13    H    MET   3           H        MET   3 -17.123   1.204   3.740
   14    HA   MET   3           HA       MET   3 -15.314   3.688   3.780
   15   1HB   MET   3          1HB       MET   3 -13.418   2.067   3.197
   16   2HB   MET   3          2HB       MET   3 -14.038   2.014   4.837
   17   1HG   MET   3          1HG       MET   3 -15.111   0.024   2.760
   18   2HG   MET   3          2HG       MET   3 -13.549  -0.250   3.546
   19   1HE   MET   3          1HE       MET   3 -15.837  -2.575   4.201
   20   2HE   MET   3          2HE       MET   3 -14.095  -2.366   4.548
   21   3HE   MET   3          3HE       MET   3 -15.237  -2.685   5.886
   22    H    THR   4           H        THR   4 -17.524   3.503   2.117
   23    HA   THR   4           HA       THR   4 -17.216   2.548  -0.582
   24    HB   THR   4           HB       THR   4 -18.410   5.281   0.069
   25    HG1  THR   4           HG1      THR   4 -19.739   2.795   0.114
   26   1HG2  THR   4          1HG2      THR   4 -19.995   4.819  -1.764
   27   2HG2  THR   4          2HG2      THR   4 -18.337   4.762  -2.403
   28   3HG2  THR   4          3HG2      THR   4 -19.236   3.251  -2.112
   29    H    ASP   5           H        ASP   5 -15.545   5.077   1.152
   30    HA   ASP   5           HA       ASP   5 -13.564   5.424  -1.077
   31   1HB   ASP   5          1HB       ASP   5 -13.768   8.053  -0.835
   32   2HB   ASP   5          2HB       ASP   5 -14.742   7.167  -1.985
   33    H    GLN   6           H        GLN   6 -12.918   4.177   1.024
   34    HA   GLN   6           HA       GLN   6 -11.889   5.750   3.338
   35   1HB   GLN   6          1HB       GLN   6 -11.873   2.908   2.490
   36   2HB   GLN   6          2HB       GLN   6 -10.322   3.399   3.148
   37   1HG   GLN   6          1HG       GLN   6 -13.030   3.650   4.586
   38   2HG   GLN   6          2HG       GLN   6 -11.537   4.300   5.228
   39   1HE2  GLN   6          1HE2      GLN   6 -11.131   0.213   4.837
   40   2HE2  GLN   6          2HE2      GLN   6 -11.579   1.260   3.399
   41    H    GLN   7           H        GLN   7 -10.729   4.813   0.154
   42    HA   GLN   7           HA       GLN   7  -7.899   5.014   0.290
   43   1HB   GLN   7          1HB       GLN   7  -7.919   5.810  -2.102
   44   2HB   GLN   7          2HB       GLN   7  -8.869   4.368  -1.793
   45   1HG   GLN   7          1HG       GLN   7 -10.827   6.342  -1.514
   46   2HG   GLN   7          2HG       GLN   7  -9.780   7.082  -2.707
   47   1HE2  GLN   7          1HE2      GLN   7 -12.113   3.843  -3.754
   48   2HE2  GLN   7          2HE2      GLN   7 -11.804   4.256  -1.993
   49    H    ALA   8           H        ALA   8 -10.200   7.704  -0.269
   50    HA   ALA   8           HA       ALA   8  -8.146   9.830  -0.297
   51   1HB   ALA   8          1HB       ALA   8 -11.048  10.511   0.240
   52   2HB   ALA   8          2HB       ALA   8  -9.877  11.285  -0.846
   53   3HB   ALA   8          3HB       ALA   8 -10.645   9.746  -1.315
   54    H    GLU   9           H        GLU   9 -10.249   8.399   2.136
   55    HA   GLU   9           HA       GLU   9 -10.200  10.477   4.187
   56   1HB   GLU   9          1HB       GLU   9 -11.828   8.568   4.136
   57   2HB   GLU   9          2HB       GLU   9 -10.555   7.464   4.618
   58   1HG   GLU   9          1HG       GLU   9 -11.675   7.904   6.657
   59   2HG   GLU   9          2HG       GLU   9 -10.272   8.953   6.764
   60    H    ALA  10           H        ALA  10  -7.992   7.868   3.340
   61    HA   ALA  10           HA       ALA  10  -6.379   7.781   5.797
   62   1HB   ALA  10          1HB       ALA  10  -4.747   6.476   4.443
   63   2HB   ALA  10          2HB       ALA  10  -6.405   5.893   4.196
   64   3HB   ALA  10          3HB       ALA  10  -5.616   6.886   2.944
   65    NH1  ARG  11           NH1      ARG  11  -4.864  13.159  -3.048
   66    NH2  ARG  11           NH2      ARG  11  -4.681  14.948  -1.660
   67    H    ARG  11           H        ARG  11  -5.936   9.386   2.639
   68    HA   ARG  11           HA       ARG  11  -3.287  10.600   3.173
   69   1HB   ARG  11          1HB       ARG  11  -3.806  10.359   0.867
   70   2HB   ARG  11          2HB       ARG  11  -3.860  12.087   1.182
   71   1HG   ARG  11          1HG       ARG  11  -6.330  10.265   0.949
   72   2HG   ARG  11          2HG       ARG  11  -6.397  11.980   1.358
   73   1HD   ARG  11          1HD       ARG  11  -6.680  11.150  -1.197
   74   2HD   ARG  11          2HD       ARG  11  -4.918  11.154  -1.194
   75    HE   ARG  11           HE       ARG  11  -6.345  13.689  -0.294
   76   1HH1  ARG  11          1HH1      ARG  11  -4.403  13.753  -3.746
   77   2HH1  ARG  11          2HH1      ARG  11  -5.161  12.184  -3.171
   78   1HH2  ARG  11          1HH2      ARG  11  -4.954  15.385  -0.773
   79   2HH2  ARG  11          2HH2      ARG  11  -4.119  15.370  -2.407
   80    H    ALA  12           H        ALA  12  -6.646  11.583   3.613
   81    HA   ALA  12           HA       ALA  12  -6.582  14.371   4.047
   82   1HB   ALA  12          1HB       ALA  12  -8.492  14.106   5.617
   83   2HB   ALA  12          2HB       ALA  12  -8.671  13.048   4.203
   84   3HB   ALA  12          3HB       ALA  12  -8.168  12.362   5.768
   85    H    PHE  13           H        PHE  13  -5.347  11.830   6.153
   86    HA   PHE  13           HA       PHE  13  -4.839  13.666   8.484
   87   1HB   PHE  13          1HB       PHE  13  -4.251  10.672   8.103
   88   2HB   PHE  13          2HB       PHE  13  -5.643  11.354   8.903
   89    HD1  PHE  13           HD1      PHE  13  -4.086  13.619  10.461
   90    HD2  PHE  13           HD2      PHE  13  -3.296   9.421   9.929
   91    HE1  PHE  13           HE1      PHE  13  -2.860  13.567  12.595
   92    HE2  PHE  13           HE2      PHE  13  -2.062   9.394  12.057
   93    HZ   PHE  13           HZ       PHE  13  -1.896  11.447  13.422
   94    H    LEU  14           H        LEU  14  -3.027  11.821   6.052
   95    HA   LEU  14           HA       LEU  14  -0.305  12.598   6.928
   96   1HB   LEU  14          1HB       LEU  14  -1.005  11.727   4.079
   97   2HB   LEU  14          2HB       LEU  14   0.516  11.546   4.927
   98    HG   LEU  14           HG       LEU  14  -2.023   9.883   5.171
   99   1HD1  LEU  14          1HD1      LEU  14   0.119   9.909   7.392
  100   2HD1  LEU  14          2HD1      LEU  14  -1.486  10.647   7.546
  101   3HD1  LEU  14          3HD1      LEU  14  -1.338   8.886   7.322
  102   1HD2  LEU  14          1HD2      LEU  14  -0.487   7.976   4.933
  103   2HD2  LEU  14          2HD2      LEU  14  -0.040   9.174   3.694
  104   3HD2  LEU  14          3HD2      LEU  14   0.940   9.019   5.159
  105    H    SER  15           H        SER  15   0.722  14.418   6.596
  106    HA   SER  15           HA       SER  15  -0.400  16.866   5.567
  107   1HB   SER  15          1HB       SER  15   2.598  16.598   5.439
  108   2HB   SER  15          2HB       SER  15   1.842  16.283   7.003
  109    HG   SER  15           HG       SER  15   2.431  18.534   6.272
  110    H    GLU  16           H        GLU  16   0.394  18.125   3.709
  111    HA   GLU  16           HA       GLU  16  -0.009  16.685   1.158
  112   1HB   GLU  16          1HB       GLU  16   0.786  19.113   0.262
  113   2HB   GLU  16          2HB       GLU  16   0.451  19.573   1.919
  114   1HG   GLU  16          1HG       GLU  16  -1.899  19.054   1.733
  115   2HG   GLU  16          2HG       GLU  16  -1.475  19.907   0.258
  116    H    GLU  17           H        GLU  17   2.741  18.005   2.912
  117    HA   GLU  17           HA       GLU  17   4.735  17.501   0.701
  118   1HB   GLU  17          1HB       GLU  17   4.827  19.500   2.326
  119   2HB   GLU  17          2HB       GLU  17   5.373  18.382   3.560
  120   1HG   GLU  17          1HG       GLU  17   7.457  19.062   2.829
  121   2HG   GLU  17          2HG       GLU  17   7.244  17.758   1.674
  122    H    MET  18           H        MET  18   3.656  16.117   3.756
  123    HA   MET  18           HA       MET  18   5.734  14.133   4.239
  124   1HB   MET  18          1HB       MET  18   2.779  14.205   5.038
  125   2HB   MET  18          2HB       MET  18   4.185  14.579   6.019
  126   1HG   MET  18          1HG       MET  18   3.093  11.844   5.237
  127   2HG   MET  18          2HG       MET  18   4.828  11.990   5.558
  128   1HE   MET  18          1HE       MET  18   4.892  14.305   8.334
  129   2HE   MET  18          2HE       MET  18   5.330  12.762   9.125
  130   3HE   MET  18          3HE       MET  18   5.876  13.093   7.455
  131    H    ILE  19           H        ILE  19   2.896  14.183   2.154
  132    HA   ILE  19           HA       ILE  19   2.668  11.379   1.435
  133    HB   ILE  19           HB       ILE  19   1.873  13.903  -0.071
  134   1HG1  ILE  19          1HG1      ILE  19   0.147  13.657   1.454
  135   2HG1  ILE  19          2HG1      ILE  19  -0.463  12.551   0.242
  136   1HG2  ILE  19          1HG2      ILE  19   0.752  12.510  -1.825
  137   2HG2  ILE  19          2HG2      ILE  19   2.492  12.230  -1.843
  138   3HG2  ILE  19          3HG2      ILE  19   1.416  11.024  -1.101
  139   1HD1  ILE  19          1HD1      ILE  19   1.029  11.673   2.783
  140   2HD1  ILE  19          2HD1      ILE  19  -0.698  11.489   2.416
  141   3HD1  ILE  19          3HD1      ILE  19   0.505  10.573   1.478
  142    H    ALA  20           H        ALA  20   4.569  14.031  -0.009
  143    HA   ALA  20           HA       ALA  20   5.720  12.740  -2.283
  144   1HB   ALA  20          1HB       ALA  20   6.702  14.992  -0.486
  145   2HB   ALA  20          2HB       ALA  20   7.751  14.382  -1.781
  146   3HB   ALA  20          3HB       ALA  20   6.150  15.057  -2.176
  147    H    GLU  21           H        GLU  21   6.621  12.546   1.124
  148    HA   GLU  21           HA       GLU  21   9.239  11.238   0.813
  149   1HB   GLU  21          1HB       GLU  21   8.803  10.568   3.317
  150   2HB   GLU  21          2HB       GLU  21   7.370  11.570   3.198
  151   1HG   GLU  21          1HG       GLU  21   8.646  13.597   2.894
  152   2HG   GLU  21          2HG       GLU  21   9.448  12.708   4.179
  153    H    PHE  22           H        PHE  22   5.934  10.078   1.380
  154    HA   PHE  22           HA       PHE  22   6.507   7.246   1.833
  155   1HB   PHE  22          1HB       PHE  22   3.975   8.687   0.883
  156   2HB   PHE  22          2HB       PHE  22   4.024   6.947   0.997
  157    HD1  PHE  22           HD1      PHE  22   4.670   5.920   3.370
  158    HD2  PHE  22           HD2      PHE  22   3.553  10.041   2.824
  159    HE1  PHE  22           HE1      PHE  22   4.038   6.074   5.742
  160    HE2  PHE  22           HE2      PHE  22   2.924  10.174   5.199
  161    HZ   PHE  22           HZ       PHE  22   3.192   8.205   6.668
  162    H    LYS  23           H        LYS  23   5.804   9.156  -1.071
  163    HA   LYS  23           HA       LYS  23   5.593   7.056  -3.060
  164   1HB   LYS  23          1HB       LYS  23   6.687   9.903  -3.476
  165   2HB   LYS  23          2HB       LYS  23   4.991   9.469  -3.486
  166   1HG   LYS  23          1HG       LYS  23   6.398   9.752  -5.743
  167   2HG   LYS  23          2HG       LYS  23   6.907   8.103  -5.441
  168   1HD   LYS  23          1HD       LYS  23   4.549   7.289  -5.538
  169   2HD   LYS  23          2HD       LYS  23   3.955   8.940  -5.593
  170   1HE   LYS  23          1HE       LYS  23   4.375   9.218  -7.849
  171   2HE   LYS  23          2HE       LYS  23   5.874   8.288  -7.824
  172   1HZ   LYS  23          1HZ       LYS  23   3.705   7.364  -8.948
  173   2HZ   LYS  23          2HZ       LYS  23   4.736   6.334  -8.171
  174   3HZ   LYS  23          3HZ       LYS  23   3.346   6.828  -7.427
  175    H    ALA  24           H        ALA  24   8.407   8.859  -1.831
  176    HA   ALA  24           HA       ALA  24  10.489   8.019  -3.596
  177   1HB   ALA  24          1HB       ALA  24  12.085   8.500  -1.749
  178   2HB   ALA  24          2HB       ALA  24  10.830   9.749  -1.854
  179   3HB   ALA  24          3HB       ALA  24  10.757   8.521  -0.564
  180    H    ALA  25           H        ALA  25   9.356   6.420  -0.608
  181    HA   ALA  25           HA       ALA  25  11.282   4.197  -0.631
  182   1HB   ALA  25          1HB       ALA  25   9.864   3.211   1.161
  183   2HB   ALA  25          2HB       ALA  25  10.169   4.933   1.458
  184   3HB   ALA  25          3HB       ALA  25   8.581   4.404   0.846
  185    H    PHE  26           H        PHE  26   8.040   4.666  -1.933
  186    HA   PHE  26           HA       PHE  26   7.348   1.876  -2.517
  187   1HB   PHE  26          1HB       PHE  26   5.713   3.824  -2.373
  188   2HB   PHE  26          2HB       PHE  26   6.278   4.400  -3.919
  189    HD1  PHE  26           HD1      PHE  26   4.260   1.813  -2.192
  190    HD2  PHE  26           HD2      PHE  26   5.786   3.035  -6.024
  191    HE1  PHE  26           HE1      PHE  26   2.555   0.442  -3.320
  192    HE2  PHE  26           HE2      PHE  26   4.047   1.691  -7.134
  193    HZ   PHE  26           HZ       PHE  26   2.447   0.375  -5.788
  194    H    ASP  27           H        ASP  27   9.089   4.405  -4.241
  195    HA   ASP  27           HA       ASP  27   9.230   3.128  -6.887
  196   1HB   ASP  27          1HB       ASP  27  10.715   5.457  -5.615
  197   2HB   ASP  27          2HB       ASP  27  11.363   4.749  -7.078
  198    H    MET  28           H        MET  28  11.010   2.729  -3.923
  199    HA   MET  28           HA       MET  28  13.543   1.672  -4.791
  200   1HB   MET  28          1HB       MET  28  13.442   0.201  -2.627
  201   2HB   MET  28          2HB       MET  28  11.896   0.968  -2.312
  202   1HG   MET  28          1HG       MET  28  14.479   2.598  -2.739
  203   2HG   MET  28          2HG       MET  28  12.923   3.199  -2.144
  204   1HE   MET  28          1HE       MET  28  13.934   4.300  -0.191
  205   2HE   MET  28          2HE       MET  28  14.602   3.493   1.259
  206   3HE   MET  28          3HE       MET  28  15.628   3.716  -0.188
  207    H    PHE  29           H        PHE  29  10.401   0.044  -4.418
  208    HA   PHE  29           HA       PHE  29  11.525  -2.492  -5.756
  209   1HB   PHE  29          1HB       PHE  29   9.783  -3.811  -4.575
  210   2HB   PHE  29          2HB       PHE  29   9.107  -2.373  -3.860
  211    HD1  PHE  29           HD1      PHE  29   9.874  -4.657  -2.150
  212    HD2  PHE  29           HD2      PHE  29  12.289  -1.338  -3.451
  213    HE1  PHE  29           HE1      PHE  29  11.271  -4.867  -0.135
  214    HE2  PHE  29           HE2      PHE  29  13.679  -1.575  -1.434
  215    HZ   PHE  29           HZ       PHE  29  13.175  -3.333   0.224
  216    H    ASP  30           H        ASP  30  10.580  -0.147  -7.107
  217    HA   ASP  30           HA       ASP  30   8.014  -1.158  -8.447
  218   1HB   ASP  30          1HB       ASP  30   8.365   1.367  -7.529
  219   2HB   ASP  30          2HB       ASP  30   7.298   0.925  -8.841
  220    H    ALA  31           H        ALA  31   8.799  -2.716  -9.714
  221    HA   ALA  31           HA       ALA  31  11.202  -2.360 -11.498
  222   1HB   ALA  31          1HB       ALA  31  10.783  -4.738 -12.142
  223   2HB   ALA  31          2HB       ALA  31  10.852  -4.536 -10.380
  224   3HB   ALA  31          3HB       ALA  31   9.280  -4.761 -11.189
  225    H    ASP  32           H        ASP  32   7.687  -2.455 -11.693
  226    HA   ASP  32           HA       ASP  32   7.589  -2.412 -14.713
  227   1HB   ASP  32          1HB       ASP  32   5.058  -1.923 -13.142
  228   2HB   ASP  32          2HB       ASP  32   5.821  -3.480 -12.918
  229    H    GLY  33           H        GLY  33   5.340  -0.657 -14.927
  230   1HA   GLY  33          1HA       GLY  33   5.905   1.643 -16.063
  231   2HA   GLY  33          2HA       GLY  33   6.722   2.055 -14.553
  232    H    GLY  34           H        GLY  34   3.644   0.315 -14.893
  233   1HA   GLY  34          1HA       GLY  34   1.437   0.765 -13.983
  234   2HA   GLY  34          2HA       GLY  34   1.685   2.373 -14.669
  235    H    GLY  35           H        GLY  35   2.885   0.475 -11.888
  236   1HA   GLY  35          1HA       GLY  35   3.877   1.974  -9.906
  237   2HA   GLY  35          2HA       GLY  35   2.356   2.864 -10.044
  238    H    ASP  36           H        ASP  36   3.496  -0.500  -9.723
  239    HA   ASP  36           HA       ASP  36   1.759  -0.982  -7.315
  240   1HB   ASP  36          1HB       ASP  36   0.504  -2.892  -8.163
  241   2HB   ASP  36          2HB       ASP  36   0.123  -1.457  -9.086
  242    H    ILE  37           H        ILE  37   2.353  -2.866  -6.196
  243    HA   ILE  37           HA       ILE  37   4.855  -4.389  -7.091
  244    HB   ILE  37           HB       ILE  37   5.916  -4.169  -4.900
  245   1HG1  ILE  37          1HG1      ILE  37   3.432  -2.590  -4.141
  246   2HG1  ILE  37          2HG1      ILE  37   4.955  -1.961  -3.550
  247   1HG2  ILE  37          1HG2      ILE  37   6.784  -1.841  -5.164
  248   2HG2  ILE  37          2HG2      ILE  37   6.554  -2.591  -6.751
  249   3HG2  ILE  37          3HG2      ILE  37   5.379  -1.392  -6.161
  250   1HD1  ILE  37          1HD1      ILE  37   5.492  -4.053  -2.340
  251   2HD1  ILE  37          2HD1      ILE  37   3.883  -3.458  -1.879
  252   3HD1  ILE  37          3HD1      ILE  37   4.028  -4.837  -2.992
  253    H    SER  38           H        SER  38   5.101  -6.382  -5.861
  254    HA   SER  38           HA       SER  38   2.706  -8.006  -5.631
  255   1HB   SER  38          1HB       SER  38   4.669  -9.228  -6.007
  256   2HB   SER  38          2HB       SER  38   5.588  -8.399  -4.748
  257    HG   SER  38           HG       SER  38   3.898 -10.546  -4.602
  258    H    THR  39           H        THR  39   1.750  -8.939  -3.772
  259    HA   THR  39           HA       THR  39   1.216  -7.011  -1.550
  260    HB   THR  39           HB       THR  39  -0.493  -8.611  -2.738
  261    HG1  THR  39           HG1      THR  39  -1.154  -7.272  -1.207
  262   1HG2  THR  39          1HG2      THR  39  -1.070 -10.666  -1.522
  263   2HG2  THR  39          2HG2      THR  39   0.595 -10.815  -2.131
  264   3HG2  THR  39          3HG2      THR  39   0.301 -10.465  -0.407
  265    H    LYS  40           H        LYS  40   3.028  -9.981  -2.054
  266    HA   LYS  40           HA       LYS  40   3.432 -10.698   0.789
  267   1HB   LYS  40          1HB       LYS  40   4.088 -11.861  -1.794
  268   2HB   LYS  40          2HB       LYS  40   3.990 -12.635  -0.226
  269   1HG   LYS  40          1HG       LYS  40   6.469 -11.266  -1.430
  270   2HG   LYS  40          2HG       LYS  40   6.417 -11.881   0.210
  271   1HD   LYS  40          1HD       LYS  40   5.718 -14.205  -0.979
  272   2HD   LYS  40          2HD       LYS  40   6.371 -13.433  -2.415
  273   1HE   LYS  40          1HE       LYS  40   7.869 -14.275   0.103
  274   2HE   LYS  40          2HE       LYS  40   8.530 -12.957  -0.866
  275   1HZ   LYS  40          1HZ       LYS  40   8.228 -15.792  -1.559
  276   2HZ   LYS  40          2HZ       LYS  40   8.103 -14.705  -2.797
  277   3HZ   LYS  40          3HZ       LYS  40   9.476 -14.757  -1.879
  278    H    GLU  41           H        GLU  41   5.161  -8.788  -1.616
  279    HA   GLU  41           HA       GLU  41   7.598  -8.389   0.108
  280   1HB   GLU  41          1HB       GLU  41   8.403  -6.943  -1.825
  281   2HB   GLU  41          2HB       GLU  41   6.919  -7.316  -2.679
  282   1HG   GLU  41          1HG       GLU  41   7.871  -9.894  -2.022
  283   2HG   GLU  41          2HG       GLU  41   8.012  -9.098  -3.580
  284    H    LEU  42           H        LEU  42   4.732  -6.639  -0.958
  285    HA   LEU  42           HA       LEU  42   5.171  -3.950  -0.430
  286   1HB   LEU  42          1HB       LEU  42   2.970  -3.869  -0.849
  287   2HB   LEU  42          2HB       LEU  42   2.862  -5.607  -0.672
  288    HG   LEU  42           HG       LEU  42   2.633  -5.048   1.954
  289   1HD1  LEU  42          1HD1      LEU  42   0.254  -4.533   0.060
  290   2HD1  LEU  42          2HD1      LEU  42   0.886  -6.145   0.425
  291   3HD1  LEU  42          3HD1      LEU  42   0.189  -5.152   1.730
  292   1HD2  LEU  42          1HD2      LEU  42   1.507  -2.908   2.449
  293   2HD2  LEU  42          2HD2      LEU  42   3.048  -2.546   1.633
  294   3HD2  LEU  42          3HD2      LEU  42   1.527  -2.439   0.730
  295    H    GLY  43           H        GLY  43   4.634  -6.482   2.006
  296   1HA   GLY  43          1HA       GLY  43   4.945  -6.501   4.427
  297   2HA   GLY  43          2HA       GLY  43   4.610  -4.767   4.391
  298    H    THR  44           H        THR  44   7.211  -6.744   2.906
  299    HA   THR  44           HA       THR  44   9.412  -6.157   4.524
  300    HB   THR  44           HB       THR  44   9.251  -6.685   1.560
  301    HG1  THR  44           HG1      THR  44  10.147  -8.506   2.168
  302   1HG2  THR  44          1HG2      THR  44  11.741  -6.715   1.352
  303   2HG2  THR  44          2HG2      THR  44  11.139  -5.064   1.609
  304   3HG2  THR  44          3HG2      THR  44  11.899  -5.953   2.954
  305    H    VAL  45           H        VAL  45   7.811  -4.067   2.199
  306    HA   VAL  45           HA       VAL  45   9.842  -1.874   2.275
  307    HB   VAL  45           HB       VAL  45   8.673  -0.758   0.661
  308   1HG1  VAL  45          1HG1      VAL  45   5.947  -1.974   1.431
  309   2HG1  VAL  45          2HG1      VAL  45   6.535  -0.431   2.063
  310   3HG1  VAL  45          3HG1      VAL  45   6.263  -0.619   0.316
  311   1HG2  VAL  45          1HG2      VAL  45   7.834  -2.276  -1.053
  312   2HG2  VAL  45          2HG2      VAL  45   9.103  -3.166  -0.180
  313   3HG2  VAL  45          3HG2      VAL  45   7.400  -3.520   0.148
  314    H    MET  46           H        MET  46   6.660  -2.577   3.695
  315    HA   MET  46           HA       MET  46   6.113  -0.226   5.247
  316   1HB   MET  46          1HB       MET  46   5.589  -2.727   6.778
  317   2HB   MET  46          2HB       MET  46   5.026  -2.816   5.119
  318   1HG   MET  46          1HG       MET  46   3.227  -1.471   5.552
  319   2HG   MET  46          2HG       MET  46   4.233  -0.223   6.304
  320   1HE   MET  46          1HE       MET  46   1.406  -0.650   8.562
  321   2HE   MET  46          2HE       MET  46   2.844   0.048   9.365
  322   3HE   MET  46          3HE       MET  46   2.517   0.416   7.646
  323    NH1  ARG  47           NH1      ARG  47  13.056  -7.619  10.113
  324    NH2  ARG  47           NH2      ARG  47  13.640  -6.325  11.886
  325    H    ARG  47           H        ARG  47   8.510  -2.758   5.726
  326    HA   ARG  47           HA       ARG  47   9.257  -1.853   8.522
  327   1HB   ARG  47          1HB       ARG  47   9.139  -4.341   7.703
  328   2HB   ARG  47          2HB       ARG  47  10.658  -4.021   6.878
  329   1HG   ARG  47          1HG       ARG  47  11.513  -3.139   9.244
  330   2HG   ARG  47          2HG       ARG  47  10.140  -4.038   9.892
  331   1HD   ARG  47          1HD       ARG  47  12.071  -5.426   7.950
  332   2HD   ARG  47          2HD       ARG  47  10.979  -6.168   9.117
  333    HE   ARG  47           HE       ARG  47  13.253  -4.471  10.213
  334   1HH1  ARG  47          1HH1      ARG  47  14.016  -7.189  12.292
  335   2HH1  ARG  47          2HH1      ARG  47  13.613  -5.399  12.327
  336   1HH2  ARG  47          1HH2      ARG  47  12.568  -7.684   9.212
  337   2HH2  ARG  47          2HH2      ARG  47  13.496  -8.389  10.630
  338    H    MET  48           H        MET  48  10.639  -1.979   5.246
  339    HA   MET  48           HA       MET  48  13.308  -0.897   6.069
  340   1HB   MET  48          1HB       MET  48  12.625  -0.835   3.144
  341   2HB   MET  48          2HB       MET  48  12.464  -2.411   3.901
  342   1HG   MET  48          1HG       MET  48  14.875  -2.199   4.769
  343   2HG   MET  48          2HG       MET  48  15.018  -0.685   3.860
  344   1HE   MET  48          1HE       MET  48  15.979  -0.476   1.893
  345   2HE   MET  48          2HE       MET  48  16.215  -1.676   0.588
  346   3HE   MET  48          3HE       MET  48  14.656  -0.811   0.731
  347    H    LEU  49           H        LEU  49  10.361   0.585   5.827
  348    HA   LEU  49           HA       LEU  49  11.419   3.246   4.788
  349   1HB   LEU  49          1HB       LEU  49   9.268   2.811   3.885
  350   2HB   LEU  49          2HB       LEU  49   9.037   4.030   5.119
  351    HG   LEU  49           HG       LEU  49   8.534   1.103   5.848
  352   1HD1  LEU  49          1HD1      LEU  49   6.445   2.880   4.435
  353   2HD1  LEU  49          2HD1      LEU  49   7.315   1.549   3.651
  354   3HD1  LEU  49          3HD1      LEU  49   6.216   1.210   5.011
  355   1HD2  LEU  49          1HD2      LEU  49   6.939   2.039   7.468
  356   2HD2  LEU  49          2HD2      LEU  49   8.454   2.961   7.628
  357   3HD2  LEU  49          3HD2      LEU  49   7.083   3.669   6.762
  358    H    GLY  50           H        GLY  50  10.289   1.552   7.668
  359   1HA   GLY  50          1HA       GLY  50  11.926   2.388   9.696
  360   2HA   GLY  50          2HA       GLY  50  11.042   3.900   9.466
  361    H    GLN  51           H        GLN  51  10.469   0.424   9.976
  362    HA   GLN  51           HA       GLN  51   8.520   1.031  12.234
  363   1HB   GLN  51          1HB       GLN  51   7.749  -0.467   9.685
  364   2HB   GLN  51          2HB       GLN  51   7.030  -0.918  11.220
  365   1HG   GLN  51          1HG       GLN  51   6.944   2.034  10.598
  366   2HG   GLN  51          2HG       GLN  51   6.013   1.015   9.520
  367   1HE2  GLN  51          1HE2      GLN  51   3.782   1.976  12.415
  368   2HE2  GLN  51          2HE2      GLN  51   4.796   2.884  11.184
  369    H    ASN  52           H        ASN  52   7.749  -1.418  12.905
  370    HA   ASN  52           HA       ASN  52   9.972  -3.431  12.723
  371   1HB   ASN  52          1HB       ASN  52  10.866  -2.118  14.508
  372   2HB   ASN  52          2HB       ASN  52   9.329  -1.965  15.331
  373   1HD2  ASN  52          1HD2      ASN  52  11.571  -5.478  15.702
  374   2HD2  ASN  52          2HD2      ASN  52  11.851  -4.309  14.316
  375    HA   PRO  53           HA       PRO  53   5.469  -5.002  13.518
  376   1HB   PRO  53          1HB       PRO  53   4.796  -6.158  11.118
  377   2HB   PRO  53          2HB       PRO  53   4.737  -4.413  11.414
  378   1HG   PRO  53          1HG       PRO  53   6.144  -4.403   9.532
  379   2HG   PRO  53          2HG       PRO  53   6.917  -5.959   9.911
  380   1HD   PRO  53          1HD       PRO  53   7.554  -3.177  10.922
  381   2HD   PRO  53          2HD       PRO  53   8.615  -4.618  10.861
  382    H    THR  54           H        THR  54   4.669  -7.463  12.624
  383    HA   THR  54           HA       THR  54   6.833  -9.429  13.531
  384    HB   THR  54           HB       THR  54   3.908 -10.197  13.604
  385    HG1  THR  54           HG1      THR  54   4.270  -9.436  15.917
  386   1HG2  THR  54          1HG2      THR  54   4.592 -11.572  15.543
  387   2HG2  THR  54          2HG2      THR  54   5.623 -11.953  14.145
  388   3HG2  THR  54          3HG2      THR  54   6.252 -10.935  15.466
  389    H    LYS  55           H        LYS  55   6.535 -11.635  12.567
  390    HA   LYS  55           HA       LYS  55   6.494 -11.376   9.555
  391   1HB   LYS  55          1HB       LYS  55   7.258 -13.902   9.763
  392   2HB   LYS  55          2HB       LYS  55   7.480 -13.562  11.466
  393   1HG   LYS  55          1HG       LYS  55   8.885 -12.120   9.137
  394   2HG   LYS  55          2HG       LYS  55   9.075 -11.658  10.817
  395   1HD   LYS  55          1HD       LYS  55  10.994 -13.060  10.020
  396   2HD   LYS  55          2HD       LYS  55  10.152 -13.784  11.381
  397   1HE   LYS  55          1HE       LYS  55   9.181 -15.531  10.090
  398   2HE   LYS  55          2HE       LYS  55   9.345 -14.665   8.561
  399   1HZ   LYS  55          1HZ       LYS  55  11.606 -15.181   8.454
  400   2HZ   LYS  55          2HZ       LYS  55  11.766 -15.459  10.075
  401   3HZ   LYS  55          3HZ       LYS  55  10.981 -16.556   9.122
  402    H    GLU  56           H        GLU  56   4.942 -13.255  12.150
  403    HA   GLU  56           HA       GLU  56   3.039 -14.762  10.472
  404   1HB   GLU  56          1HB       GLU  56   3.383 -14.298  13.422
  405   2HB   GLU  56          2HB       GLU  56   1.763 -14.710  12.897
  406   1HG   GLU  56          1HG       GLU  56   4.147 -16.436  12.016
  407   2HG   GLU  56          2HG       GLU  56   2.447 -16.873  12.050
  408    H    GLU  57           H        GLU  57   3.051 -11.607  12.034
  409    HA   GLU  57           HA       GLU  57   0.152 -11.030  11.799
  410   1HB   GLU  57          1HB       GLU  57   2.450  -9.047  12.226
  411   2HB   GLU  57          2HB       GLU  57   0.743  -8.681  12.382
  412   1HG   GLU  57          1HG       GLU  57   1.911 -10.931  14.096
  413   2HG   GLU  57          2HG       GLU  57   2.275  -9.267  14.521
  414    H    LEU  58           H        LEU  58   3.022 -10.487   9.826
  415    HA   LEU  58           HA       LEU  58   1.928  -8.687   7.802
  416   1HB   LEU  58          1HB       LEU  58   4.335  -9.009   7.954
  417   2HB   LEU  58          2HB       LEU  58   4.207 -10.734   7.688
  418    HG   LEU  58           HG       LEU  58   3.471  -8.638   5.549
  419   1HD1  LEU  58          1HD1      LEU  58   5.683  -9.188   4.485
  420   2HD1  LEU  58          2HD1      LEU  58   5.898  -8.438   6.073
  421   3HD1  LEU  58          3HD1      LEU  58   6.120 -10.195   5.888
  422   1HD2  LEU  58          1HD2      LEU  58   3.957 -11.681   5.270
  423   2HD2  LEU  58          2HD2      LEU  58   2.377 -10.865   5.170
  424   3HD2  LEU  58          3HD2      LEU  58   3.614 -10.547   3.940
  425    H    ASP  59           H        ASP  59   1.843 -12.181   8.241
  426    HA   ASP  59           HA       ASP  59   0.718 -12.893   5.609
  427   1HB   ASP  59          1HB       ASP  59   0.334 -14.686   8.043
  428   2HB   ASP  59          2HB       ASP  59   0.517 -15.127   6.361
  429    H    ALA  60           H        ALA  60  -0.616 -11.996   8.738
  430    HA   ALA  60           HA       ALA  60  -3.427 -12.692   8.298
  431   1HB   ALA  60          1HB       ALA  60  -3.903 -11.177  10.216
  432   2HB   ALA  60          2HB       ALA  60  -2.528 -12.244  10.561
  433   3HB   ALA  60          3HB       ALA  60  -2.246 -10.531  10.159
  434    H    ILE  61           H        ILE  61  -1.684  -9.575   7.988
  435    HA   ILE  61           HA       ILE  61  -3.700  -7.845   7.047
  436    HB   ILE  61           HB       ILE  61  -0.735  -7.890   6.375
  437   1HG1  ILE  61          1HG1      ILE  61  -2.175  -5.600   7.802
  438   2HG1  ILE  61          2HG1      ILE  61  -1.890  -7.078   8.696
  439   1HG2  ILE  61          1HG2      ILE  61  -0.955  -5.671   5.227
  440   2HG2  ILE  61          2HG2      ILE  61  -1.843  -6.916   4.350
  441   3HG2  ILE  61          3HG2      ILE  61  -2.729  -5.754   5.366
  442   1HD1  ILE  61          1HD1      ILE  61   0.337  -5.364   7.447
  443   2HD1  ILE  61          2HD1      ILE  61  -0.063  -5.545   9.169
  444   3HD1  ILE  61          3HD1      ILE  61   0.592  -6.930   8.265
  445    H    ILE  62           H        ILE  62  -1.882 -10.362   5.375
  446    HA   ILE  62           HA       ILE  62  -2.691  -9.746   2.595
  447    HB   ILE  62           HB       ILE  62  -1.468 -12.222   3.882
  448   1HG1  ILE  62          1HG1      ILE  62  -0.034 -11.076   1.560
  449   2HG1  ILE  62          2HG1      ILE  62  -0.339  -9.825   2.746
  450   1HG2  ILE  62          1HG2      ILE  62  -1.317 -13.311   1.628
  451   2HG2  ILE  62          2HG2      ILE  62  -3.003 -13.081   2.087
  452   3HG2  ILE  62          3HG2      ILE  62  -2.258 -11.984   0.902
  453   1HD1  ILE  62          1HD1      ILE  62   1.183 -12.431   3.340
  454   2HD1  ILE  62          2HD1      ILE  62   1.844 -10.788   3.211
  455   3HD1  ILE  62          3HD1      ILE  62   0.759 -11.197   4.560
  456    H    GLU  63           H        GLU  63  -3.852 -11.992   5.107
  457    HA   GLU  63           HA       GLU  63  -6.033 -13.303   3.853
  458   1HB   GLU  63          1HB       GLU  63  -5.199 -13.508   6.301
  459   2HB   GLU  63          2HB       GLU  63  -6.286 -12.189   6.687
  460   1HG   GLU  63          1HG       GLU  63  -7.272 -14.448   7.188
  461   2HG   GLU  63          2HG       GLU  63  -8.267 -13.511   6.085
  462    H    GLU  64           H        GLU  64  -6.170 -10.141   5.523
  463    HA   GLU  64           HA       GLU  64  -8.947  -9.502   5.082
  464   1HB   GLU  64          1HB       GLU  64  -6.824  -7.318   5.139
  465   2HB   GLU  64          2HB       GLU  64  -7.133  -8.298   6.559
  466   1HG   GLU  64          1HG       GLU  64  -9.376  -7.443   6.827
  467   2HG   GLU  64          2HG       GLU  64  -8.366  -6.053   6.469
  468    H    VAL  65           H        VAL  65  -6.091  -8.425   3.215
  469    HA   VAL  65           HA       VAL  65  -7.399  -6.868   1.179
  470    HB   VAL  65           HB       VAL  65  -4.764  -7.485   1.697
  471   1HG1  VAL  65          1HG1      VAL  65  -5.711  -6.143  -0.917
  472   2HG1  VAL  65          2HG1      VAL  65  -5.772  -5.356   0.672
  473   3HG1  VAL  65          3HG1      VAL  65  -4.203  -5.833  -0.020
  474   1HG2  VAL  65          1HG2      VAL  65  -3.669  -8.487  -0.248
  475   2HG2  VAL  65          2HG2      VAL  65  -4.935  -9.631   0.261
  476   3HG2  VAL  65          3HG2      VAL  65  -5.200  -8.598  -1.150
  477    H    ASP  66           H        ASP  66  -6.985 -10.349   1.533
  478    HA   ASP  66           HA       ASP  66  -8.102 -10.921  -1.237
  479   1HB   ASP  66          1HB       ASP  66  -6.039 -12.157  -0.550
  480   2HB   ASP  66          2HB       ASP  66  -6.889 -12.868   0.803
  481    H    GLU  67           H        GLU  67  -9.939  -9.719   0.186
  482    HA   GLU  67           HA       GLU  67 -11.815 -11.635   1.556
  483   1HB   GLU  67          1HB       GLU  67 -13.055  -9.851   2.219
  484   2HB   GLU  67          2HB       GLU  67 -11.523  -9.034   1.982
  485   1HG   GLU  67          1HG       GLU  67 -12.263  -8.050  -0.146
  486   2HG   GLU  67          2HG       GLU  67 -13.677  -9.088  -0.218
  487    H    ASP  68           H        ASP  68 -11.539  -9.899  -1.534
  488    HA   ASP  68           HA       ASP  68 -13.760 -11.594  -2.756
  489   1HB   ASP  68          1HB       ASP  68 -12.681  -8.851  -3.396
  490   2HB   ASP  68          2HB       ASP  68 -14.331  -9.426  -3.310
  491    H    GLY  69           H        GLY  69 -10.629 -10.233  -3.866
  492   1HA   GLY  69          1HA       GLY  69  -9.117 -12.570  -4.468
  493   2HA   GLY  69          2HA       GLY  69 -10.212 -12.445  -5.849
  494    H    SER  70           H        SER  70  -7.873 -10.569  -3.951
  495    HA   SER  70           HA       SER  70  -7.285  -8.726  -6.314
  496   1HB   SER  70          1HB       SER  70  -6.249  -8.362  -3.458
  497   2HB   SER  70          2HB       SER  70  -7.849  -7.809  -3.960
  498    HG   SER  70           HG       SER  70  -6.429  -6.175  -4.266
  499    H    GLY  71           H        GLY  71  -5.238  -8.543  -7.148
  500   1HA   GLY  71          1HA       GLY  71  -3.316 -10.877  -6.670
  501   2HA   GLY  71          2HA       GLY  71  -3.352  -9.869  -8.120
  502    H    THR  72           H        THR  72  -2.946  -7.478  -7.691
  503    HA   THR  72           HA       THR  72  -0.483  -7.230  -5.917
  504    HB   THR  72           HB       THR  72   0.079  -5.238  -7.533
  505    HG1  THR  72           HG1      THR  72  -1.510  -5.071  -8.840
  506   1HG2  THR  72          1HG2      THR  72   0.542  -8.188  -8.139
  507   2HG2  THR  72          2HG2      THR  72   1.015  -6.970  -9.344
  508   3HG2  THR  72          3HG2      THR  72   1.722  -6.931  -7.707
  509    H    ILE  73           H        ILE  73  -0.068  -4.698  -5.567
  510    HA   ILE  73           HA       ILE  73  -2.642  -3.292  -4.814
  511    HB   ILE  73           HB       ILE  73  -1.452  -4.546  -2.832
  512   1HG1  ILE  73          1HG1      ILE  73  -3.470  -2.801  -2.929
  513   2HG1  ILE  73          2HG1      ILE  73  -2.324  -1.705  -2.178
  514   1HG2  ILE  73          1HG2      ILE  73   0.132  -3.241  -1.462
  515   2HG2  ILE  73          2HG2      ILE  73   0.837  -3.494  -3.064
  516   3HG2  ILE  73          3HG2      ILE  73   0.144  -1.910  -2.641
  517   1HD1  ILE  73          1HD1      ILE  73  -3.919  -3.160  -0.623
  518   2HD1  ILE  73          2HD1      ILE  73  -2.719  -4.442  -0.893
  519   3HD1  ILE  73          3HD1      ILE  73  -2.219  -2.909  -0.139
  520    H    ASP  74           H        ASP  74  -2.448  -0.996  -4.672
  521    HA   ASP  74           HA       ASP  74  -0.098   0.177  -6.263
  522   1HB   ASP  74          1HB       ASP  74  -1.412   1.388  -7.587
  523   2HB   ASP  74          2HB       ASP  74  -2.395   1.930  -6.259
  524    H    PHE  75           H        PHE  75  -0.595   2.817  -5.854
  525    HA   PHE  75           HA       PHE  75   0.807   3.196  -3.287
  526   1HB   PHE  75          1HB       PHE  75   1.351   4.477  -5.378
  527   2HB   PHE  75          2HB       PHE  75  -0.181   5.307  -5.301
  528    HD1  PHE  75           HD1      PHE  75   0.952   7.526  -5.192
  529    HD2  PHE  75           HD2      PHE  75   1.676   4.585  -2.135
  530    HE1  PHE  75           HE1      PHE  75   2.102   9.216  -3.823
  531    HE2  PHE  75           HE2      PHE  75   2.826   6.291  -0.782
  532    HZ   PHE  75           HZ       PHE  75   3.005   8.614  -1.602
  533    H    GLU  76           H        GLU  76  -2.446   3.720  -4.517
  534    HA   GLU  76           HA       GLU  76  -3.557   5.406  -2.415
  535   1HB   GLU  76          1HB       GLU  76  -4.979   3.415  -4.256
  536   2HB   GLU  76          2HB       GLU  76  -5.816   4.493  -3.156
  537   1HG   GLU  76          1HG       GLU  76  -4.437   5.110  -5.773
  538   2HG   GLU  76          2HG       GLU  76  -5.938   5.745  -5.119
  539    H    GLU  77           H        GLU  77  -3.991   1.892  -2.919
  540    HA   GLU  77           HA       GLU  77  -5.215   1.251  -0.345
  541   1HB   GLU  77          1HB       GLU  77  -4.116  -1.139  -0.875
  542   2HB   GLU  77          2HB       GLU  77  -3.822  -0.427  -2.449
  543   1HG   GLU  77          1HG       GLU  77  -6.415   0.174  -2.437
  544   2HG   GLU  77          2HG       GLU  77  -5.895  -1.463  -2.800
  545    H    PHE  78           H        PHE  78  -1.882   1.610  -1.409
  546    HA   PHE  78           HA       PHE  78  -0.450   0.434   0.817
  547   1HB   PHE  78          1HB       PHE  78   0.624   1.103  -1.337
  548   2HB   PHE  78          2HB       PHE  78   0.409   2.793  -0.966
  549    HD1  PHE  78           HD1      PHE  78   1.171   2.436   2.139
  550    HD2  PHE  78           HD2      PHE  78   3.057   1.221  -1.533
  551    HE1  PHE  78           HE1      PHE  78   3.365   2.429   3.255
  552    HE2  PHE  78           HE2      PHE  78   5.239   1.205  -0.396
  553    HZ   PHE  78           HZ       PHE  78   5.403   1.840   1.986
  554    H    LEU  79           H        LEU  79  -1.665   3.741   0.295
  555    HA   LEU  79           HA       LEU  79  -0.623   4.907   2.822
  556   1HB   LEU  79          1HB       LEU  79  -2.255   6.807   2.300
  557   2HB   LEU  79          2HB       LEU  79  -2.814   5.903   0.909
  558    HG   LEU  79           HG       LEU  79  -0.296   5.923   0.104
  559   1HD1  LEU  79          1HD1      LEU  79  -0.155   8.308   2.055
  560   2HD1  LEU  79          2HD1      LEU  79   0.644   6.749   2.328
  561   3HD1  LEU  79          3HD1      LEU  79   1.123   7.760   0.942
  562   1HD2  LEU  79          1HD2      LEU  79  -0.622   8.047  -1.087
  563   2HD2  LEU  79          2HD2      LEU  79  -2.223   7.284  -0.928
  564   3HD2  LEU  79          3HD2      LEU  79  -1.780   8.628   0.135
  565    H    VAL  80           H        VAL  80  -3.565   3.283   1.779
  566    HA   VAL  80           HA       VAL  80  -5.302   3.933   4.040
  567    HB   VAL  80           HB       VAL  80  -5.401   1.783   1.909
  568   1HG1  VAL  80          1HG1      VAL  80  -7.518   3.886   2.682
  569   2HG1  VAL  80          2HG1      VAL  80  -6.238   4.195   1.501
  570   3HG1  VAL  80          3HG1      VAL  80  -7.433   2.914   1.190
  571   1HG2  VAL  80          1HG2      VAL  80  -7.470   0.798   2.778
  572   2HG2  VAL  80          2HG2      VAL  80  -6.247   0.650   4.061
  573   3HG2  VAL  80          3HG2      VAL  80  -7.492   1.902   4.175
  574    H    MET  81           H        MET  81  -2.877   1.445   3.435
  575    HA   MET  81           HA       MET  81  -3.500  -0.260   5.801
  576   1HB   MET  81          1HB       MET  81  -2.185  -0.810   3.483
  577   2HB   MET  81          2HB       MET  81  -2.034  -1.761   4.949
  578   1HG   MET  81          1HG       MET  81  -0.074   0.547   4.582
  579   2HG   MET  81          2HG       MET  81   0.133  -0.904   3.588
  580   1HE   MET  81          1HE       MET  81   0.720  -2.960   4.087
  581   2HE   MET  81          2HE       MET  81   1.891  -3.267   5.403
  582   3HE   MET  81          3HE       MET  81   0.189  -3.782   5.588
  583    H    MET  82           H        MET  82  -1.308   2.382   5.009
  584    HA   MET  82           HA       MET  82   0.521   2.180   7.291
  585   1HB   MET  82          1HB       MET  82  -0.048   4.285   5.202
  586   2HB   MET  82          2HB       MET  82   0.698   4.848   6.687
  587   1HG   MET  82          1HG       MET  82   1.971   2.408   5.395
  588   2HG   MET  82          2HG       MET  82   2.148   3.960   4.561
  589   1HE   MET  82          1HE       MET  82   3.422   2.086   8.203
  590   2HE   MET  82          2HE       MET  82   3.619   1.613   6.490
  591   3HE   MET  82          3HE       MET  82   4.963   2.417   7.352
  592    H    VAL  83           H        VAL  83  -2.189   4.437   6.672
  593    HA   VAL  83           HA       VAL  83  -2.317   5.698   9.280
  594    HB   VAL  83           HB       VAL  83  -4.301   5.437   7.019
  595   1HG1  VAL  83          1HG1      VAL  83  -3.307   7.953   8.496
  596   2HG1  VAL  83          2HG1      VAL  83  -2.470   7.255   7.103
  597   3HG1  VAL  83          3HG1      VAL  83  -4.130   7.866   6.917
  598   1HG2  VAL  83          1HG2      VAL  83  -6.105   6.598   8.182
  599   2HG2  VAL  83          2HG2      VAL  83  -5.709   5.174   9.171
  600   3HG2  VAL  83          3HG2      VAL  83  -5.140   6.773   9.670
  601    NH1  ARG  84           NH1      ARG  84  -9.537  -1.218   9.422
  602    NH2  ARG  84           NH2      ARG  84  -9.388  -2.110   7.338
  603    H    ARG  84           H        ARG  84  -3.694   2.702   8.004
  604    HA   ARG  84           HA       ARG  84  -5.500   1.836  10.059
  605   1HB   ARG  84          1HB       ARG  84  -3.663  -0.310   9.017
  606   2HB   ARG  84          2HB       ARG  84  -4.453   0.663   7.785
  607   1HG   ARG  84          1HG       ARG  84  -5.825  -1.314   8.251
  608   2HG   ARG  84          2HG       ARG  84  -5.866  -0.963   9.980
  609   1HD   ARG  84          1HD       ARG  84  -7.603   0.530   9.770
  610   2HD   ARG  84          2HD       ARG  84  -6.847   1.370   8.418
  611    HE   ARG  84           HE       ARG  84  -8.089  -0.026   6.862
  612   1HH1  ARG  84          1HH1      ARG  84 -10.244  -1.941   9.595
  613   2HH1  ARG  84          2HH1      ARG  84  -9.204  -0.512  10.088
  614   1HH2  ARG  84          1HH2      ARG  84  -9.008  -2.033   6.388
  615   2HH2  ARG  84          2HH2      ARG  84 -10.040  -2.824   7.683
  616    H    GLN  85           H        GLN  85  -1.971   1.235   9.860
  617    HA   GLN  85           HA       GLN  85  -1.730  -0.205  12.419
  618   1HB   GLN  85          1HB       GLN  85   0.173   0.863  10.356
  619   2HB   GLN  85          2HB       GLN  85   0.818   0.808  11.988
  620   1HG   GLN  85          1HG       GLN  85   0.814  -1.520  12.109
  621   2HG   GLN  85          2HG       GLN  85   1.139  -1.276  10.405
  622   1HE2  GLN  85          1HE2      GLN  85  -1.707  -3.822  10.992
  623   2HE2  GLN  85          2HE2      GLN  85  -0.109  -3.556  11.852
  624    H    MET  86           H        MET  86  -1.329   3.171  11.427
  625    HA   MET  86           HA       MET  86  -0.016   4.333  13.710
  626   1HB   MET  86          1HB       MET  86  -1.772   5.420  11.528
  627   2HB   MET  86          2HB       MET  86  -1.734   6.384  12.993
  628   1HG   MET  86          1HG       MET  86   0.663   6.768  12.832
  629   2HG   MET  86          2HG       MET  86   0.872   5.481  11.634
  630   1HE   MET  86          1HE       MET  86   1.952   6.901   9.491
  631   2HE   MET  86          2HE       MET  86   0.712   5.633   9.264
  632   3HE   MET  86          3HE       MET  86   0.601   7.162   8.344
  633    H    LYS  87           H        LYS  87  -3.422   3.551  13.154
  634    HA   LYS  87           HA       LYS  87  -4.535   4.739  15.635
  635   1HB   LYS  87          1HB       LYS  87  -6.093   4.348  13.840
  636   2HB   LYS  87          2HB       LYS  87  -5.625   2.671  13.651
  637   1HG   LYS  87          1HG       LYS  87  -6.726   3.367  16.365
  638   2HG   LYS  87          2HG       LYS  87  -6.984   1.936  15.387
  639   1HD   LYS  87          1HD       LYS  87  -8.290   4.655  14.722
  640   2HD   LYS  87          2HD       LYS  87  -8.622   3.106  13.964
  641   1HE   LYS  87          1HE       LYS  87 -10.238   4.064  15.886
  642   2HE   LYS  87          2HE       LYS  87  -9.972   2.329  15.708
  643   1HZ   LYS  87          1HZ       LYS  87  -8.414   2.375  17.506
  644   2HZ   LYS  87          2HZ       LYS  87  -8.359   4.025  17.552
  645   3HZ   LYS  87          3HZ       LYS  87  -9.732   3.231  18.014
  646    H    GLU  88           H        GLU  88  -3.911   1.344  14.654
  647    HA   GLU  88           HA       GLU  88  -4.271   0.143  17.319
  648   1HB   GLU  88          1HB       GLU  88  -4.025  -0.880  14.758
  649   2HB   GLU  88          2HB       GLU  88  -2.460  -1.300  15.425
  650   1HG   GLU  88          1HG       GLU  88  -3.626  -3.211  16.039
  651   2HG   GLU  88          2HG       GLU  88  -3.925  -2.261  17.486
  652    H    ASP  89           H        ASP  89  -3.115   1.077  18.884
  653    HA   ASP  89           HA       ASP  89  -0.212   1.744  18.699
  654   1HB   ASP  89          1HB       ASP  89  -1.077   3.184  20.249
  655   2HB   ASP  89          2HB       ASP  89  -0.529   1.932  21.339
  656    H    ALA  90           H        ALA  90  -2.157  -0.701  20.429
  657    HA   ALA  90           HA       ALA  90   0.241  -2.402  21.133
  658   1HB   ALA  90          1HB       ALA  90  -2.036  -2.148  22.529
  659   2HB   ALA  90          2HB       ALA  90  -2.644  -3.389  21.416
  660   3HB   ALA  90          3HB       ALA  90  -1.235  -3.737  22.448
   
  Start of MODEL          23
 Raw file had  660 H/Q atoms
  Start of MODEL   23
    1   1H    ALA   1          1H        ALA   1 -18.927   3.742   8.258
    2   2H    ALA   1          2H        ALA   1 -18.475   5.198   8.966
    3   3H    ALA   1          3H        ALA   1 -19.825   4.370   9.533
    4    HA   ALA   1           HA       ALA   1 -21.150   4.923   7.816
    5   1HB   ALA   1          1HB       ALA   1 -20.298   7.472   7.237
    6   2HB   ALA   1          2HB       ALA   1 -21.080   7.037   8.768
    7   3HB   ALA   1          3HB       ALA   1 -19.304   7.163   8.681
    8    H    SER   2           H        SER   2 -18.162   6.513   6.705
    9    HA   SER   2           HA       SER   2 -18.622   5.510   3.869
   10   1HB   SER   2          1HB       SER   2 -16.625   7.280   3.505
   11   2HB   SER   2          2HB       SER   2 -18.319   7.764   3.615
   12    HG   SER   2           HG       SER   2 -16.923   8.960   4.957
   13    H    MET   3           H        MET   3 -17.721   3.596   3.539
   14    HA   MET   3           HA       MET   3 -14.864   3.016   4.498
   15   1HB   MET   3          1HB       MET   3 -16.375   0.669   3.490
   16   2HB   MET   3          2HB       MET   3 -17.206   1.467   4.813
   17   1HG   MET   3          1HG       MET   3 -14.220   0.905   5.159
   18   2HG   MET   3          2HG       MET   3 -15.496   0.963   6.387
   19   1HE   MET   3          1HE       MET   3 -17.535  -2.403   5.604
   20   2HE   MET   3          2HE       MET   3 -17.381  -1.030   6.740
   21   3HE   MET   3          3HE       MET   3 -17.864  -0.733   5.045
   22    H    THR   4           H        THR   4 -17.120   3.033   1.787
   23    HA   THR   4           HA       THR   4 -15.346   2.109  -0.351
   24    HB   THR   4           HB       THR   4 -17.584   4.156  -0.715
   25    HG1  THR   4           HG1      THR   4 -17.878   1.384  -0.970
   26   1HG2  THR   4          1HG2      THR   4 -17.894   3.160  -2.949
   27   2HG2  THR   4          2HG2      THR   4 -16.231   3.774  -2.814
   28   3HG2  THR   4          3HG2      THR   4 -16.551   2.024  -2.701
   29    H    ASP   5           H        ASP   5 -15.353   4.941   1.601
   30    HA   ASP   5           HA       ASP   5 -13.276   6.287  -0.209
   31   1HB   ASP   5          1HB       ASP   5 -15.175   7.792   1.675
   32   2HB   ASP   5          2HB       ASP   5 -13.991   8.490   0.593
   33    H    GLN   6           H        GLN   6 -12.767   4.271   1.716
   34    HA   GLN   6           HA       GLN   6 -11.577   5.416   4.204
   35   1HB   GLN   6          1HB       GLN   6 -11.687   2.717   2.904
   36   2HB   GLN   6          2HB       GLN   6 -10.190   3.044   3.759
   37   1HG   GLN   6          1HG       GLN   6 -13.014   2.865   4.891
   38   2HG   GLN   6          2HG       GLN   6 -11.583   1.976   5.369
   39   1HE2  GLN   6          1HE2      GLN   6 -10.530   4.490   7.740
   40   2HE2  GLN   6          2HE2      GLN   6 -10.127   2.935   6.854
   41    H    GLN   7           H        GLN   7 -10.382   4.386   1.009
   42    HA   GLN   7           HA       GLN   7  -7.582   4.962   1.119
   43   1HB   GLN   7          1HB       GLN   7  -7.735   5.594  -1.338
   44   2HB   GLN   7          2HB       GLN   7  -8.387   4.024  -0.904
   45   1HG   GLN   7          1HG       GLN   7 -10.702   5.540  -0.745
   46   2HG   GLN   7          2HG       GLN   7  -9.828   6.459  -1.953
   47   1HE2  GLN   7          1HE2      GLN   7 -11.226   2.665  -2.892
   48   2HE2  GLN   7          2HE2      GLN   7 -10.957   3.159  -1.145
   49    H    ALA   8           H        ALA   8 -10.178   7.252   0.166
   50    HA   ALA   8           HA       ALA   8  -8.544   9.632  -0.126
   51   1HB   ALA   8          1HB       ALA   8 -10.621   9.907  -1.110
   52   2HB   ALA   8          2HB       ALA   8 -11.510   9.119   0.208
   53   3HB   ALA   8          3HB       ALA   8 -10.928  10.792   0.403
   54    H    GLU   9           H        GLU   9 -10.064   8.131   2.673
   55    HA   GLU   9           HA       GLU   9  -9.973  10.381   4.557
   56   1HB   GLU   9          1HB       GLU   9 -11.322   8.137   4.710
   57   2HB   GLU   9          2HB       GLU   9  -9.881   7.466   5.449
   58   1HG   GLU   9          1HG       GLU   9 -10.162   9.709   7.038
   59   2HG   GLU   9          2HG       GLU   9 -11.836   9.505   6.552
   60    H    ALA  10           H        ALA  10  -7.718   7.799   3.687
   61    HA   ALA  10           HA       ALA  10  -5.773   8.202   5.871
   62   1HB   ALA  10          1HB       ALA  10  -4.296   6.688   4.558
   63   2HB   ALA  10          2HB       ALA  10  -5.942   6.039   4.677
   64   3HB   ALA  10          3HB       ALA  10  -5.389   6.785   3.157
   65    NH1  ARG  11           NH1      ARG  11  -5.669  16.297   0.324
   66    NH2  ARG  11           NH2      ARG  11  -6.795  16.347  -1.649
   67    H    ARG  11           H        ARG  11  -6.112   9.416   2.567
   68    HA   ARG  11           HA       ARG  11  -3.422  10.621   2.249
   69   1HB   ARG  11          1HB       ARG  11  -4.488  10.204   0.187
   70   2HB   ARG  11          2HB       ARG  11  -6.046  10.803   0.738
   71   1HG   ARG  11          1HG       ARG  11  -3.777  12.820   0.557
   72   2HG   ARG  11          2HG       ARG  11  -4.485  12.233  -0.949
   73   1HD   ARG  11          1HD       ARG  11  -5.777  13.910   1.241
   74   2HD   ARG  11          2HD       ARG  11  -6.826  12.795   0.369
   75    HE   ARG  11           HE       ARG  11  -5.860  13.993  -1.815
   76   1HH1  ARG  11          1HH1      ARG  11  -6.947  17.341  -1.446
   77   2HH1  ARG  11          2HH1      ARG  11  -7.084  15.839  -2.492
   78   1HH2  ARG  11          1HH2      ARG  11  -5.258  15.729   1.072
   79   2HH2  ARG  11          2HH2      ARG  11  -5.743  17.321   0.299
   80    H    ALA  12           H        ALA  12  -6.596  11.769   3.331
   81    HA   ALA  12           HA       ALA  12  -5.880  14.651   3.593
   82   1HB   ALA  12          1HB       ALA  12  -8.079  14.875   4.734
   83   2HB   ALA  12          2HB       ALA  12  -8.232  13.963   3.219
   84   3HB   ALA  12          3HB       ALA  12  -8.271  13.105   4.780
   85    H    PHE  13           H        PHE  13  -5.822  11.786   5.639
   86    HA   PHE  13           HA       PHE  13  -5.510  13.021   8.259
   87   1HB   PHE  13          1HB       PHE  13  -4.578  10.270   7.251
   88   2HB   PHE  13          2HB       PHE  13  -6.116  10.637   7.988
   89    HD1  PHE  13           HD1      PHE  13  -6.257   9.761  10.190
   90    HD2  PHE  13           HD2      PHE  13  -2.503  11.451   8.931
   91    HE1  PHE  13           HE1      PHE  13  -5.260   9.198  12.368
   92    HE2  PHE  13           HE2      PHE  13  -1.529  10.891  11.118
   93    HZ   PHE  13           HZ       PHE  13  -2.909   9.792  12.850
   94    H    LEU  14           H        LEU  14  -3.214  12.080   5.735
   95    HA   LEU  14           HA       LEU  14  -0.829  13.187   7.278
   96   1HB   LEU  14          1HB       LEU  14   0.602  12.048   5.771
   97   2HB   LEU  14          2HB       LEU  14  -0.603  11.952   4.505
   98    HG   LEU  14           HG       LEU  14  -1.894  10.342   6.237
   99   1HD1  LEU  14          1HD1      LEU  14  -0.777   8.371   5.181
  100   2HD1  LEU  14          2HD1      LEU  14  -1.077   9.640   3.979
  101   3HD1  LEU  14          3HD1      LEU  14   0.567   9.399   4.622
  102   1HD2  LEU  14          1HD2      LEU  14   1.033  10.051   7.193
  103   2HD2  LEU  14          2HD2      LEU  14  -0.337  10.632   8.170
  104   3HD2  LEU  14          3HD2      LEU  14  -0.309   8.954   7.608
  105    H    SER  15           H        SER  15   0.693  14.509   5.927
  106    HA   SER  15           HA       SER  15  -0.783  16.839   4.700
  107   1HB   SER  15          1HB       SER  15   1.370  16.721   6.416
  108   2HB   SER  15          2HB       SER  15   0.910  18.130   5.458
  109    HG   SER  15           HG       SER  15   2.962  16.295   5.102
  110    H    GLU  16           H        GLU  16   0.460  17.902   2.812
  111    HA   GLU  16           HA       GLU  16   0.359  16.109   0.460
  112   1HB   GLU  16          1HB       GLU  16   0.751  19.053   0.895
  113   2HB   GLU  16          2HB       GLU  16   1.472  18.405  -0.565
  114   1HG   GLU  16          1HG       GLU  16  -0.714  17.598  -1.389
  115   2HG   GLU  16          2HG       GLU  16  -1.488  17.928   0.152
  116    H    GLU  17           H        GLU  17   2.874  17.512   2.464
  117    HA   GLU  17           HA       GLU  17   5.158  16.874   0.637
  118   1HB   GLU  17          1HB       GLU  17   5.561  18.776   1.957
  119   2HB   GLU  17          2HB       GLU  17   4.992  18.032   3.438
  120   1HG   GLU  17          1HG       GLU  17   7.660  18.390   2.773
  121   2HG   GLU  17          2HG       GLU  17   7.440  16.742   2.209
  122    H    MET  18           H        MET  18   3.555  15.432   3.422
  123    HA   MET  18           HA       MET  18   5.565  13.368   4.058
  124   1HB   MET  18          1HB       MET  18   3.995  14.017   5.794
  125   2HB   MET  18          2HB       MET  18   2.604  13.622   4.800
  126   1HG   MET  18          1HG       MET  18   4.322  11.228   5.130
  127   2HG   MET  18          2HG       MET  18   2.600  11.443   5.485
  128   1HE   MET  18          1HE       MET  18   6.342  11.564   7.656
  129   2HE   MET  18          2HE       MET  18   5.363  10.237   8.348
  130   3HE   MET  18          3HE       MET  18   5.578  10.355   6.577
  131    H    ILE  19           H        ILE  19   2.776  13.566   1.916
  132    HA   ILE  19           HA       ILE  19   2.696  10.746   1.012
  133    HB   ILE  19           HB       ILE  19   1.685  13.295  -0.344
  134   1HG1  ILE  19          1HG1      ILE  19   0.245  11.086   1.261
  135   2HG1  ILE  19          2HG1      ILE  19   0.365  12.784   1.668
  136   1HG2  ILE  19          1HG2      ILE  19   0.468  11.833  -1.974
  137   2HG2  ILE  19          2HG2      ILE  19   2.208  11.586  -2.113
  138   3HG2  ILE  19          3HG2      ILE  19   1.214  10.380  -1.263
  139   1HD1  ILE  19          1HD1      ILE  19  -1.279  11.687  -0.688
  140   2HD1  ILE  19          2HD1      ILE  19  -1.882  12.366   0.839
  141   3HD1  ILE  19          3HD1      ILE  19  -1.048  13.420  -0.327
  142    H    ALA  20           H        ALA  20   4.340  13.712  -0.064
  143    HA   ALA  20           HA       ALA  20   5.511  12.960  -2.528
  144   1HB   ALA  20          1HB       ALA  20   6.873  14.821  -2.324
  145   2HB   ALA  20          2HB       ALA  20   5.699  15.194  -1.047
  146   3HB   ALA  20          3HB       ALA  20   7.292  14.519  -0.621
  147    H    GLU  21           H        GLU  21   6.887  12.422   0.732
  148    HA   GLU  21           HA       GLU  21   9.356  11.080  -0.202
  149   1HB   GLU  21          1HB       GLU  21   9.199  10.288   2.426
  150   2HB   GLU  21          2HB       GLU  21   9.952  11.755   1.835
  151   1HG   GLU  21          1HG       GLU  21   7.815  13.045   2.312
  152   2HG   GLU  21          2HG       GLU  21   7.057  11.571   2.891
  153    H    PHE  22           H        PHE  22   6.164  10.041   0.873
  154    HA   PHE  22           HA       PHE  22   6.604   7.216   1.348
  155   1HB   PHE  22          1HB       PHE  22   4.130   8.792   0.502
  156   2HB   PHE  22          2HB       PHE  22   4.060   7.050   0.526
  157    HD1  PHE  22           HD1      PHE  22   2.372   7.034   2.353
  158    HD2  PHE  22           HD2      PHE  22   6.202   8.893   2.988
  159    HE1  PHE  22           HE1      PHE  22   1.923   7.159   4.768
  160    HE2  PHE  22           HE2      PHE  22   5.735   9.005   5.402
  161    HZ   PHE  22           HZ       PHE  22   3.608   8.121   6.299
  162    H    LYS  23           H        LYS  23   5.930   9.041  -1.611
  163    HA   LYS  23           HA       LYS  23   5.589   6.808  -3.496
  164   1HB   LYS  23          1HB       LYS  23   5.048   9.367  -3.828
  165   2HB   LYS  23          2HB       LYS  23   6.725   9.542  -4.301
  166   1HG   LYS  23          1HG       LYS  23   6.437   8.094  -6.239
  167   2HG   LYS  23          2HG       LYS  23   4.889   7.499  -5.673
  168   1HD   LYS  23          1HD       LYS  23   3.813   9.714  -6.095
  169   2HD   LYS  23          2HD       LYS  23   5.376  10.433  -6.443
  170   1HE   LYS  23          1HE       LYS  23   5.650   9.122  -8.511
  171   2HE   LYS  23          2HE       LYS  23   4.209   8.161  -8.173
  172   1HZ   LYS  23          1HZ       LYS  23   2.831   9.971  -8.646
  173   2HZ   LYS  23          2HZ       LYS  23   4.004  11.109  -8.405
  174   3HZ   LYS  23          3HZ       LYS  23   4.037  10.162  -9.758
  175    H    ALA  24           H        ALA  24   8.375   8.683  -2.349
  176    HA   ALA  24           HA       ALA  24  10.445   7.913  -4.167
  177   1HB   ALA  24          1HB       ALA  24  12.062   8.426  -2.349
  178   2HB   ALA  24          2HB       ALA  24  10.776   9.644  -2.426
  179   3HB   ALA  24          3HB       ALA  24  10.756   8.411  -1.139
  180    H    ALA  25           H        ALA  25   9.560   6.328  -1.081
  181    HA   ALA  25           HA       ALA  25  11.456   4.093  -1.257
  182   1HB   ALA  25          1HB       ALA  25  10.172   3.111   0.634
  183   2HB   ALA  25          2HB       ALA  25  10.505   4.831   0.909
  184   3HB   ALA  25          3HB       ALA  25   8.874   4.309   0.417
  185    H    PHE  26           H        PHE  26   8.162   4.604  -2.373
  186    HA   PHE  26           HA       PHE  26   7.278   1.889  -2.834
  187   1HB   PHE  26          1HB       PHE  26   6.448   4.251  -4.608
  188   2HB   PHE  26          2HB       PHE  26   5.915   4.122  -2.952
  189    HD1  PHE  26           HD1      PHE  26   4.650   3.738  -6.049
  190    HD2  PHE  26           HD2      PHE  26   5.238   1.259  -2.583
  191    HE1  PHE  26           HE1      PHE  26   2.792   2.287  -6.758
  192    HE2  PHE  26           HE2      PHE  26   3.375  -0.178  -3.305
  193    HZ   PHE  26           HZ       PHE  26   2.134   0.346  -5.376
  194    H    ASP  27           H        ASP  27   9.283   4.075  -4.733
  195    HA   ASP  27           HA       ASP  27   9.321   2.451  -7.220
  196   1HB   ASP  27          1HB       ASP  27  11.323   4.667  -6.522
  197   2HB   ASP  27          2HB       ASP  27   9.694   5.008  -7.057
  198    H    MET  28           H        MET  28  11.205   2.616  -4.284
  199    HA   MET  28           HA       MET  28  13.739   1.524  -4.879
  200   1HB   MET  28          1HB       MET  28  11.997   0.747  -2.469
  201   2HB   MET  28          2HB       MET  28  13.689   0.314  -2.641
  202   1HG   MET  28          1HG       MET  28  12.850   3.266  -2.782
  203   2HG   MET  28          2HG       MET  28  13.059   2.447  -1.226
  204   1HE   MET  28          1HE       MET  28  15.881   0.578  -1.336
  205   2HE   MET  28          2HE       MET  28  16.677   2.013  -0.626
  206   3HE   MET  28          3HE       MET  28  14.984   1.630  -0.196
  207    H    PHE  29           H        PHE  29  10.675  -0.256  -4.544
  208    HA   PHE  29           HA       PHE  29  11.998  -2.839  -5.533
  209   1HB   PHE  29          1HB       PHE  29   9.891  -3.993  -4.712
  210   2HB   PHE  29          2HB       PHE  29   9.275  -2.466  -4.145
  211    HD1  PHE  29           HD1      PHE  29  12.865  -2.630  -3.631
  212    HD2  PHE  29           HD2      PHE  29   9.102  -3.840  -1.924
  213    HE1  PHE  29           HE1      PHE  29  13.935  -2.899  -1.431
  214    HE2  PHE  29           HE2      PHE  29  10.197  -4.120   0.262
  215    HZ   PHE  29           HZ       PHE  29  12.606  -3.643   0.515
  216    H    ASP  30           H        ASP  30   9.409  -0.510  -6.103
  217    HA   ASP  30           HA       ASP  30   8.363  -1.863  -8.560
  218   1HB   ASP  30          1HB       ASP  30   7.742   1.023  -7.739
  219   2HB   ASP  30          2HB       ASP  30   6.993  -0.346  -6.950
  220    H    ALA  31           H        ALA  31   9.915  -2.059 -10.052
  221    HA   ALA  31           HA       ALA  31  11.742   0.170 -10.884
  222   1HB   ALA  31          1HB       ALA  31  12.634  -1.483 -12.530
  223   2HB   ALA  31          2HB       ALA  31  12.572  -2.157 -10.890
  224   3HB   ALA  31          3HB       ALA  31  11.357  -2.645 -12.099
  225    H    ASP  32           H        ASP  32   9.719  -1.908 -12.941
  226    HA   ASP  32           HA       ASP  32   8.388   0.506 -14.236
  227   1HB   ASP  32          1HB       ASP  32   8.710  -0.831 -16.529
  228   2HB   ASP  32          2HB       ASP  32   9.866   0.352 -15.962
  229    H    GLY  33           H        GLY  33   6.367   0.142 -13.688
  230   1HA   GLY  33          1HA       GLY  33   4.938  -2.371 -14.653
  231   2HA   GLY  33          2HA       GLY  33   4.850  -2.033 -12.922
  232    H    GLY  34           H        GLY  34   3.988   0.052 -12.237
  233   1HA   GLY  34          1HA       GLY  34   2.664   2.094 -13.745
  234   2HA   GLY  34          2HA       GLY  34   1.489   0.776 -13.708
  235    H    GLY  35           H        GLY  35   3.835   1.685 -11.201
  236   1HA   GLY  35          1HA       GLY  35   3.553   2.597  -8.956
  237   2HA   GLY  35          2HA       GLY  35   1.930   3.107  -9.432
  238    H    ASP  36           H        ASP  36   3.402  -0.132  -9.407
  239    HA   ASP  36           HA       ASP  36   1.625  -1.117  -7.164
  240   1HB   ASP  36          1HB       ASP  36   0.841  -3.084  -8.732
  241   2HB   ASP  36          2HB       ASP  36   1.227  -2.011 -10.058
  242    H    ILE  37           H        ILE  37   2.359  -2.990  -6.251
  243    HA   ILE  37           HA       ILE  37   4.751  -4.492  -7.378
  244    HB   ILE  37           HB       ILE  37   5.833  -4.308  -4.991
  245   1HG1  ILE  37          1HG1      ILE  37   3.887  -1.996  -4.904
  246   2HG1  ILE  37          2HG1      ILE  37   5.535  -1.578  -4.487
  247   1HG2  ILE  37          1HG2      ILE  37   7.356  -2.517  -5.836
  248   2HG2  ILE  37          2HG2      ILE  37   6.911  -3.611  -7.154
  249   3HG2  ILE  37          3HG2      ILE  37   6.148  -2.007  -7.040
  250   1HD1  ILE  37          1HD1      ILE  37   5.616  -3.222  -2.637
  251   2HD1  ILE  37          2HD1      ILE  37   4.206  -2.154  -2.465
  252   3HD1  ILE  37          3HD1      ILE  37   3.987  -3.816  -3.059
  253    H    SER  38           H        SER  38   5.217  -6.364  -5.835
  254    HA   SER  38           HA       SER  38   2.779  -7.992  -5.463
  255   1HB   SER  38          1HB       SER  38   5.168  -8.974  -4.007
  256   2HB   SER  38          2HB       SER  38   5.528  -8.528  -5.677
  257    HG   SER  38           HG       SER  38   3.420  -9.735  -6.076
  258    H    THR  39           H        THR  39   2.127  -8.938  -3.430
  259    HA   THR  39           HA       THR  39   1.800  -6.903  -1.248
  260    HB   THR  39           HB       THR  39   0.090  -8.208  -0.327
  261    HG1  THR  39           HG1      THR  39  -0.186 -10.421  -1.270
  262   1HG2  THR  39          1HG2      THR  39  -1.454  -8.817  -2.137
  263   2HG2  THR  39          2HG2      THR  39  -0.588  -7.336  -2.604
  264   3HG2  THR  39          3HG2      THR  39  -0.130  -8.903  -3.322
  265    H    LYS  40           H        LYS  40   3.545  -9.895  -1.851
  266    HA   LYS  40           HA       LYS  40   4.221 -10.688   0.866
  267   1HB   LYS  40          1HB       LYS  40   5.366 -11.298  -1.870
  268   2HB   LYS  40          2HB       LYS  40   6.410 -11.627  -0.503
  269   1HG   LYS  40          1HG       LYS  40   4.446 -13.022   0.495
  270   2HG   LYS  40          2HG       LYS  40   3.630 -12.825  -1.043
  271   1HD   LYS  40          1HD       LYS  40   5.461 -14.045  -2.236
  272   2HD   LYS  40          2HD       LYS  40   6.423 -14.077  -0.768
  273   1HE   LYS  40          1HE       LYS  40   3.688 -15.345  -0.529
  274   2HE   LYS  40          2HE       LYS  40   5.213 -15.828   0.216
  275   1HZ   LYS  40          1HZ       LYS  40   5.800 -16.353  -2.308
  276   2HZ   LYS  40          2HZ       LYS  40   4.984 -17.439  -1.367
  277   3HZ   LYS  40          3HZ       LYS  40   4.159 -16.491  -2.439
  278    H    GLU  41           H        GLU  41   5.654  -8.391  -1.389
  279    HA   GLU  41           HA       GLU  41   8.012  -7.803   0.419
  280   1HB   GLU  41          1HB       GLU  41   7.580  -6.327  -2.190
  281   2HB   GLU  41          2HB       GLU  41   9.073  -6.750  -1.375
  282   1HG   GLU  41          1HG       GLU  41   7.324  -8.998  -2.504
  283   2HG   GLU  41          2HG       GLU  41   8.276  -8.020  -3.607
  284    H    LEU  42           H        LEU  42   5.012  -6.386  -0.743
  285    HA   LEU  42           HA       LEU  42   5.097  -3.665  -0.252
  286   1HB   LEU  42          1HB       LEU  42   3.019  -4.504  -1.000
  287   2HB   LEU  42          2HB       LEU  42   2.921  -5.729   0.245
  288    HG   LEU  42           HG       LEU  42   1.165  -4.058   0.548
  289   1HD1  LEU  42          1HD1      LEU  42   3.300  -1.876   1.003
  290   2HD1  LEU  42          2HD1      LEU  42   2.439  -2.097  -0.528
  291   3HD1  LEU  42          3HD1      LEU  42   1.531  -1.669   0.943
  292   1HD2  LEU  42          1HD2      LEU  42   1.404  -3.498   2.926
  293   2HD2  LEU  42          2HD2      LEU  42   2.182  -5.077   2.657
  294   3HD2  LEU  42          3HD2      LEU  42   3.180  -3.625   2.842
  295    H    GLY  43           H        GLY  43   4.239  -6.014   2.310
  296   1HA   GLY  43          1HA       GLY  43   4.662  -6.007   4.718
  297   2HA   GLY  43          2HA       GLY  43   4.321  -4.281   4.601
  298    H    THR  44           H        THR  44   7.005  -6.248   3.256
  299    HA   THR  44           HA       THR  44   9.088  -5.615   5.021
  300    HB   THR  44           HB       THR  44   9.126  -6.335   2.110
  301    HG1  THR  44           HG1      THR  44  10.725  -7.312   4.191
  302   1HG2  THR  44          1HG2      THR  44  11.616  -6.223   1.980
  303   2HG2  THR  44          2HG2      THR  44  10.908  -4.597   2.079
  304   3HG2  THR  44          3HG2      THR  44  11.673  -5.323   3.516
  305    H    VAL  45           H        VAL  45   7.654  -3.626   2.504
  306    HA   VAL  45           HA       VAL  45   9.633  -1.410   2.595
  307    HB   VAL  45           HB       VAL  45   6.824  -1.479   1.378
  308   1HG1  VAL  45          1HG1      VAL  45   9.538  -1.569  -0.083
  309   2HG1  VAL  45          2HG1      VAL  45   8.595  -3.014   0.304
  310   3HG1  VAL  45          3HG1      VAL  45   7.913  -1.785  -0.785
  311   1HG2  VAL  45          1HG2      VAL  45   7.302   0.608   0.209
  312   2HG2  VAL  45          2HG2      VAL  45   7.610   0.920   1.933
  313   3HG2  VAL  45          3HG2      VAL  45   8.972   0.666   0.831
  314    H    MET  46           H        MET  46   6.429  -2.082   3.996
  315    HA   MET  46           HA       MET  46   5.881   0.389   5.370
  316   1HB   MET  46          1HB       MET  46   4.573  -1.049   7.056
  317   2HB   MET  46          2HB       MET  46   5.158  -2.471   6.213
  318   1HG   MET  46          1HG       MET  46   3.307  -0.293   5.070
  319   2HG   MET  46          2HG       MET  46   4.069  -1.523   4.049
  320   1HE   MET  46          1HE       MET  46   1.232  -0.402   5.456
  321   2HE   MET  46          2HE       MET  46   0.394  -1.694   4.547
  322   3HE   MET  46          3HE       MET  46   0.314  -1.666   6.333
  323    NH1  ARG  47           NH1      ARG  47  12.511  -7.295  10.072
  324    NH2  ARG  47           NH2      ARG  47  13.881  -5.952  11.288
  325    H    ARG  47           H        ARG  47   8.095  -2.229   6.152
  326    HA   ARG  47           HA       ARG  47   8.700  -1.172   8.939
  327   1HB   ARG  47          1HB       ARG  47   8.493  -3.533   8.972
  328   2HB   ARG  47          2HB       ARG  47   9.330  -3.742   7.441
  329   1HG   ARG  47          1HG       ARG  47  10.712  -2.847  10.042
  330   2HG   ARG  47          2HG       ARG  47  11.521  -3.096   8.493
  331   1HD   ARG  47          1HD       ARG  47  11.225  -5.476   8.542
  332   2HD   ARG  47          2HD       ARG  47   9.885  -5.400   9.685
  333    HE   ARG  47           HE       ARG  47  11.812  -4.505  11.370
  334   1HH1  ARG  47          1HH1      ARG  47  14.545  -6.734  11.258
  335   2HH1  ARG  47          2HH1      ARG  47  14.010  -5.056  11.771
  336   1HH2  ARG  47          1HH2      ARG  47  11.675  -7.372   9.483
  337   2HH2  ARG  47          2HH2      ARG  47  13.188  -8.039  10.279
  338    H    MET  48           H        MET  48  10.123  -1.459   5.731
  339    HA   MET  48           HA       MET  48  12.914  -0.875   6.513
  340   1HB   MET  48          1HB       MET  48  13.095  -0.272   3.905
  341   2HB   MET  48          2HB       MET  48  11.484  -0.960   3.817
  342   1HG   MET  48          1HG       MET  48  12.595  -2.939   3.443
  343   2HG   MET  48          2HG       MET  48  12.769  -2.992   5.204
  344   1HE   MET  48          1HE       MET  48  14.560  -4.315   5.478
  345   2HE   MET  48          2HE       MET  48  15.441  -4.633   3.954
  346   3HE   MET  48          3HE       MET  48  16.280  -3.840   5.319
  347    H    LEU  49           H        LEU  49  10.165   1.090   6.246
  348    HA   LEU  49           HA       LEU  49  11.578   3.715   5.746
  349   1HB   LEU  49          1HB       LEU  49   8.720   3.167   6.749
  350   2HB   LEU  49          2HB       LEU  49   9.367   4.740   6.339
  351    HG   LEU  49           HG       LEU  49   8.534   2.463   4.503
  352   1HD1  LEU  49          1HD1      LEU  49  10.508   4.636   3.554
  353   2HD1  LEU  49          2HD1      LEU  49  10.958   2.951   3.872
  354   3HD1  LEU  49          3HD1      LEU  49   9.801   3.329   2.571
  355   1HD2  LEU  49          1HD2      LEU  49   7.361   4.234   3.264
  356   2HD2  LEU  49          2HD2      LEU  49   7.024   4.489   4.994
  357   3HD2  LEU  49          3HD2      LEU  49   8.208   5.514   4.169
  358    H    GLY  50           H        GLY  50  10.324   1.715   8.375
  359   1HA   GLY  50          1HA       GLY  50  11.600   3.491  10.531
  360   2HA   GLY  50          2HA       GLY  50  12.156   1.817  10.340
  361    H    GLN  51           H        GLN  51  10.982   0.151  11.057
  362    HA   GLN  51           HA       GLN  51   8.606   0.643  12.881
  363   1HB   GLN  51          1HB       GLN  51   7.928   0.224  10.277
  364   2HB   GLN  51          2HB       GLN  51   8.144  -1.452  10.747
  365   1HG   GLN  51          1HG       GLN  51   5.757  -0.512  10.924
  366   2HG   GLN  51          2HG       GLN  51   6.339  -1.428  12.299
  367   1HE2  GLN  51          1HE2      GLN  51   5.414   2.572  12.752
  368   2HE2  GLN  51          2HE2      GLN  51   5.454   1.760  11.107
  369    H    ASN  52           H        ASN  52   7.857  -1.607  13.688
  370    HA   ASN  52           HA       ASN  52  10.138  -3.606  13.887
  371   1HB   ASN  52          1HB       ASN  52  10.316  -3.560  16.194
  372   2HB   ASN  52          2HB       ASN  52   8.671  -3.029  16.466
  373   1HD2  ASN  52          1HD2      ASN  52  11.762  -0.341  16.311
  374   2HD2  ASN  52          2HD2      ASN  52  11.987  -2.143  16.048
  375    HA   PRO  53           HA       PRO  53   5.543  -5.317  13.834
  376   1HB   PRO  53          1HB       PRO  53   5.015  -5.918  11.202
  377   2HB   PRO  53          2HB       PRO  53   4.852  -4.295  11.890
  378   1HG   PRO  53          1HG       PRO  53   7.196  -5.398  10.265
  379   2HG   PRO  53          2HG       PRO  53   6.352  -3.847  10.052
  380   1HD   PRO  53          1HD       PRO  53   8.743  -4.097  11.470
  381   2HD   PRO  53          2HD       PRO  53   7.529  -2.846  11.876
  382    H    THR  54           H        THR  54   4.934  -7.524  12.245
  383    HA   THR  54           HA       THR  54   7.248  -9.501  12.513
  384    HB   THR  54           HB       THR  54   4.662 -10.791  13.081
  385    HG1  THR  54           HG1      THR  54   4.661  -9.942  15.236
  386   1HG2  THR  54          1HG2      THR  54   5.896 -11.815  14.964
  387   2HG2  THR  54          2HG2      THR  54   6.872 -11.919  13.481
  388   3HG2  THR  54          3HG2      THR  54   7.268 -10.707  14.725
  389    H    LYS  55           H        LYS  55   7.235 -11.173  11.025
  390    HA   LYS  55           HA       LYS  55   6.210 -10.493   8.324
  391   1HB   LYS  55          1HB       LYS  55   7.726 -12.923   9.419
  392   2HB   LYS  55          2HB       LYS  55   7.137 -12.893   7.771
  393   1HG   LYS  55          1HG       LYS  55   8.823 -10.541   8.710
  394   2HG   LYS  55          2HG       LYS  55   8.663 -11.210   7.098
  395   1HD   LYS  55          1HD       LYS  55   9.913 -13.125   9.055
  396   2HD   LYS  55          2HD       LYS  55  10.342 -12.752   7.393
  397   1HE   LYS  55          1HE       LYS  55  10.926 -10.687   9.576
  398   2HE   LYS  55          2HE       LYS  55  12.017 -12.054   9.343
  399   1HZ   LYS  55          1HZ       LYS  55  11.756 -11.171   6.819
  400   2HZ   LYS  55          2HZ       LYS  55  11.561  -9.746   7.631
  401   3HZ   LYS  55          3HZ       LYS  55  12.932 -10.641   7.851
  402    H    GLU  56           H        GLU  56   5.336 -12.717  10.917
  403    HA   GLU  56           HA       GLU  56   3.320 -14.323   9.546
  404   1HB   GLU  56          1HB       GLU  56   3.074 -13.703  12.511
  405   2HB   GLU  56          2HB       GLU  56   4.462 -14.604  11.934
  406   1HG   GLU  56          1HG       GLU  56   2.498 -16.100  10.725
  407   2HG   GLU  56          2HG       GLU  56   1.541 -15.435  12.038
  408    H    GLU  57           H        GLU  57   3.249 -11.176  11.124
  409    HA   GLU  57           HA       GLU  57   0.310 -10.804  11.238
  410   1HB   GLU  57          1HB       GLU  57   0.764  -8.428  11.691
  411   2HB   GLU  57          2HB       GLU  57   2.442  -8.605  11.221
  412   1HG   GLU  57          1HG       GLU  57   2.769 -10.240  13.181
  413   2HG   GLU  57          2HG       GLU  57   2.422  -8.578  13.626
  414    H    LEU  58           H        LEU  58   2.880 -10.047   8.922
  415    HA   LEU  58           HA       LEU  58   1.432  -8.407   6.989
  416   1HB   LEU  58          1HB       LEU  58   3.775  -8.478   6.677
  417   2HB   LEU  58          2HB       LEU  58   3.867 -10.221   6.815
  418    HG   LEU  58           HG       LEU  58   2.450  -8.941   4.414
  419   1HD1  LEU  58          1HD1      LEU  58   4.620  -9.039   3.145
  420   2HD1  LEU  58          2HD1      LEU  58   4.701  -7.875   4.476
  421   3HD1  LEU  58          3HD1      LEU  58   5.488  -9.464   4.643
  422   1HD2  LEU  58          1HD2      LEU  58   3.912 -11.649   4.726
  423   2HD2  LEU  58          2HD2      LEU  58   2.146 -11.414   4.711
  424   3HD2  LEU  58          3HD2      LEU  58   3.095 -11.061   3.255
  425    H    ASP  59           H        ASP  59   1.603 -11.873   7.581
  426    HA   ASP  59           HA       ASP  59   0.265 -12.850   5.176
  427   1HB   ASP  59          1HB       ASP  59   0.113 -14.299   7.869
  428   2HB   ASP  59          2HB       ASP  59  -0.008 -14.983   6.264
  429    H    ALA  60           H        ALA  60  -0.947 -11.892   8.381
  430    HA   ALA  60           HA       ALA  60  -3.739 -12.655   8.064
  431   1HB   ALA  60          1HB       ALA  60  -4.185 -11.155  10.002
  432   2HB   ALA  60          2HB       ALA  60  -2.751 -12.162  10.279
  433   3HB   ALA  60          3HB       ALA  60  -2.562 -10.439   9.862
  434    H    ILE  61           H        ILE  61  -2.207  -9.426   7.761
  435    HA   ILE  61           HA       ILE  61  -4.382  -7.873   6.829
  436    HB   ILE  61           HB       ILE  61  -1.432  -7.560   6.104
  437   1HG1  ILE  61          1HG1      ILE  61  -1.664  -7.149   8.467
  438   2HG1  ILE  61          2HG1      ILE  61  -3.213  -6.354   8.289
  439   1HG2  ILE  61          1HG2      ILE  61  -1.960  -5.241   5.308
  440   2HG2  ILE  61          2HG2      ILE  61  -2.790  -6.441   4.321
  441   3HG2  ILE  61          3HG2      ILE  61  -3.700  -5.534   5.551
  442   1HD1  ILE  61          1HD1      ILE  61  -2.194  -4.319   7.307
  443   2HD1  ILE  61          2HD1      ILE  61  -1.421  -4.727   8.854
  444   3HD1  ILE  61          3HD1      ILE  61  -0.584  -5.089   7.327
  445    H    ILE  62           H        ILE  62  -2.251 -10.114   5.127
  446    HA   ILE  62           HA       ILE  62  -3.012  -9.442   2.350
  447    HB   ILE  62           HB       ILE  62  -1.372 -11.588   3.649
  448   1HG1  ILE  62          1HG1      ILE  62  -0.662 -10.455   0.931
  449   2HG1  ILE  62          2HG1      ILE  62   0.367 -10.804   2.304
  450   1HG2  ILE  62          1HG2      ILE  62  -1.282 -13.041   1.607
  451   2HG2  ILE  62          2HG2      ILE  62  -2.913 -13.022   2.275
  452   3HG2  ILE  62          3HG2      ILE  62  -2.546 -12.058   0.827
  453   1HD1  ILE  62          1HD1      ILE  62  -0.292  -8.726   3.483
  454   2HD1  ILE  62          2HD1      ILE  62   0.271  -8.362   1.838
  455   3HD1  ILE  62          3HD1      ILE  62  -1.471  -8.343   2.198
  456    H    GLU  63           H        GLU  63  -4.162 -11.744   4.777
  457    HA   GLU  63           HA       GLU  63  -6.037 -13.233   3.083
  458   1HB   GLU  63          1HB       GLU  63  -5.521 -13.046   6.029
  459   2HB   GLU  63          2HB       GLU  63  -5.581 -14.442   4.971
  460   1HG   GLU  63          1HG       GLU  63  -7.455 -14.063   6.835
  461   2HG   GLU  63          2HG       GLU  63  -8.174 -12.960   5.673
  462    H    GLU  64           H        GLU  64  -6.276 -10.272   4.979
  463    HA   GLU  64           HA       GLU  64  -9.214 -10.006   4.960
  464   1HB   GLU  64          1HB       GLU  64  -7.380  -7.602   5.288
  465   2HB   GLU  64          2HB       GLU  64  -7.386  -8.860   6.508
  466   1HG   GLU  64          1HG       GLU  64 -10.038  -8.494   6.537
  467   2HG   GLU  64          2HG       GLU  64  -9.680  -6.990   5.705
  468    H    VAL  65           H        VAL  65  -6.584  -8.661   2.978
  469    HA   VAL  65           HA       VAL  65  -8.370  -6.980   1.269
  470    HB   VAL  65           HB       VAL  65  -6.066  -6.247   1.766
  471   1HG1  VAL  65          1HG1      VAL  65  -4.071  -7.258   0.644
  472   2HG1  VAL  65          2HG1      VAL  65  -4.843  -8.427   1.732
  473   3HG1  VAL  65          3HG1      VAL  65  -5.076  -8.566  -0.027
  474   1HG2  VAL  65          1HG2      VAL  65  -6.533  -6.639  -1.271
  475   2HG2  VAL  65          2HG2      VAL  65  -7.147  -5.297  -0.276
  476   3HG2  VAL  65          3HG2      VAL  65  -5.406  -5.475  -0.532
  477    H    ASP  66           H        ASP  66  -7.053 -10.226   1.256
  478    HA   ASP  66           HA       ASP  66  -8.008 -10.726  -1.611
  479   1HB   ASP  66          1HB       ASP  66  -6.021 -12.523  -0.131
  480   2HB   ASP  66          2HB       ASP  66  -5.493 -11.081  -0.968
  481    H    GLU  67           H        GLU  67  -9.990 -10.608   0.053
  482    HA   GLU  67           HA       GLU  67 -10.691 -13.039   1.595
  483   1HB   GLU  67          1HB       GLU  67 -12.166 -10.555   0.768
  484   2HB   GLU  67          2HB       GLU  67 -13.158 -11.969   1.065
  485   1HG   GLU  67          1HG       GLU  67 -11.616 -12.054   3.354
  486   2HG   GLU  67          2HG       GLU  67 -11.509 -10.334   3.016
  487    H    ASP  68           H        ASP  68 -11.149 -11.924  -1.719
  488    HA   ASP  68           HA       ASP  68 -11.654 -14.753  -2.669
  489   1HB   ASP  68          1HB       ASP  68 -13.950 -13.942  -2.167
  490   2HB   ASP  68          2HB       ASP  68 -13.717 -12.540  -3.186
  491    H    GLY  69           H        GLY  69 -11.939 -11.386  -3.884
  492   1HA   GLY  69          1HA       GLY  69 -10.340 -12.070  -6.381
  493   2HA   GLY  69          2HA       GLY  69 -11.235 -10.571  -6.107
  494    H    SER  70           H        SER  70  -9.306  -9.541  -6.866
  495    HA   SER  70           HA       SER  70  -7.459  -8.042  -6.425
  496   1HB   SER  70          1HB       SER  70  -7.330  -9.046  -3.546
  497   2HB   SER  70          2HB       SER  70  -8.623  -7.966  -4.075
  498    HG   SER  70           HG       SER  70  -7.145  -6.570  -3.580
  499    H    GLY  71           H        GLY  71  -5.110  -8.200  -5.831
  500   1HA   GLY  71          1HA       GLY  71  -3.722 -10.419  -7.074
  501   2HA   GLY  71          2HA       GLY  71  -3.798 -10.817  -5.354
  502    H    THR  72           H        THR  72  -3.460  -7.656  -6.951
  503    HA   THR  72           HA       THR  72  -0.658  -7.356  -5.808
  504    HB   THR  72           HB       THR  72  -0.044  -5.856  -7.497
  505    HG1  THR  72           HG1      THR  72  -2.641  -5.757  -8.541
  506   1HG2  THR  72          1HG2      THR  72  -0.130  -7.036  -9.519
  507   2HG2  THR  72          2HG2      THR  72  -0.519  -8.341  -8.377
  508   3HG2  THR  72          3HG2      THR  72  -1.818  -7.552  -9.309
  509    H    ILE  73           H        ILE  73  -0.407  -4.618  -5.864
  510    HA   ILE  73           HA       ILE  73  -2.611  -3.365  -4.282
  511    HB   ILE  73           HB       ILE  73  -1.163  -4.778  -2.667
  512   1HG1  ILE  73          1HG1      ILE  73  -1.281  -2.528  -1.021
  513   2HG1  ILE  73          2HG1      ILE  73  -2.369  -2.067  -2.318
  514   1HG2  ILE  73          1HG2      ILE  73   0.822  -3.750  -1.624
  515   2HG2  ILE  73          2HG2      ILE  73   1.130  -3.960  -3.353
  516   3HG2  ILE  73          3HG2      ILE  73   0.739  -2.346  -2.713
  517   1HD1  ILE  73          1HD1      ILE  73  -2.772  -4.830  -1.076
  518   2HD1  ILE  73          2HD1      ILE  73  -3.321  -3.378  -0.213
  519   3HD1  ILE  73          3HD1      ILE  73  -3.961  -3.737  -1.835
  520    H    ASP  74           H        ASP  74  -2.593  -1.180  -4.381
  521    HA   ASP  74           HA       ASP  74  -0.486   0.124  -6.168
  522   1HB   ASP  74          1HB       ASP  74  -2.367   2.020  -6.238
  523   2HB   ASP  74          2HB       ASP  74  -2.393   0.633  -7.303
  524    H    PHE  75           H        PHE  75  -0.722   2.715  -5.593
  525    HA   PHE  75           HA       PHE  75   0.824   2.917  -3.033
  526   1HB   PHE  75          1HB       PHE  75   1.703   4.090  -4.978
  527   2HB   PHE  75          2HB       PHE  75   0.207   4.941  -5.259
  528    HD1  PHE  75           HD1      PHE  75   2.722   4.494  -2.422
  529    HD2  PHE  75           HD2      PHE  75   0.106   7.199  -4.510
  530    HE1  PHE  75           HE1      PHE  75   3.623   6.382  -1.126
  531    HE2  PHE  75           HE2      PHE  75   1.046   9.079  -3.227
  532    HZ   PHE  75           HZ       PHE  75   2.785   8.674  -1.522
  533    H    GLU  76           H        GLU  76  -2.325   3.817  -4.325
  534    HA   GLU  76           HA       GLU  76  -3.231   5.636  -2.222
  535   1HB   GLU  76          1HB       GLU  76  -4.387   5.629  -4.335
  536   2HB   GLU  76          2HB       GLU  76  -5.518   5.261  -3.049
  537   1HG   GLU  76          1HG       GLU  76  -4.328   3.222  -5.039
  538   2HG   GLU  76          2HG       GLU  76  -5.362   2.775  -3.692
  539    H    GLU  77           H        GLU  77  -3.722   2.140  -2.731
  540    HA   GLU  77           HA       GLU  77  -5.204   1.603  -0.226
  541   1HB   GLU  77          1HB       GLU  77  -3.599  -0.554  -1.644
  542   2HB   GLU  77          2HB       GLU  77  -4.997   0.144  -2.437
  543   1HG   GLU  77          1HG       GLU  77  -4.872  -1.663  -0.005
  544   2HG   GLU  77          2HG       GLU  77  -6.149  -0.459   0.000
  545    H    PHE  78           H        PHE  78  -1.815   1.628  -1.206
  546    HA   PHE  78           HA       PHE  78  -0.514   0.439   1.067
  547   1HB   PHE  78          1HB       PHE  78   0.662   1.100  -1.042
  548   2HB   PHE  78          2HB       PHE  78   0.504   2.790  -0.641
  549    HD1  PHE  78           HD1      PHE  78   1.153   0.570   2.238
  550    HD2  PHE  78           HD2      PHE  78   3.053   2.857  -0.871
  551    HE1  PHE  78           HE1      PHE  78   3.297   0.444   3.441
  552    HE2  PHE  78           HE2      PHE  78   5.194   2.695   0.331
  553    HZ   PHE  78           HZ       PHE  78   5.313   1.524   2.503
  554    H    LEU  79           H        LEU  79  -1.613   3.780   0.532
  555    HA   LEU  79           HA       LEU  79  -0.657   4.956   3.050
  556   1HB   LEU  79          1HB       LEU  79  -2.371   6.786   2.573
  557   2HB   LEU  79          2HB       LEU  79  -2.953   5.852   1.212
  558    HG   LEU  79           HG       LEU  79  -1.066   6.297  -0.124
  559   1HD1  LEU  79          1HD1      LEU  79  -0.562   8.739   0.041
  560   2HD1  LEU  79          2HD1      LEU  79  -2.289   8.438   0.314
  561   3HD1  LEU  79          3HD1      LEU  79  -1.222   8.790   1.696
  562   1HD2  LEU  79          1HD2      LEU  79   0.600   6.938   2.402
  563   2HD2  LEU  79          2HD2      LEU  79   0.726   5.467   1.406
  564   3HD2  LEU  79          3HD2      LEU  79   1.186   7.033   0.722
  565    H    VAL  80           H        VAL  80  -3.587   3.261   2.067
  566    HA   VAL  80           HA       VAL  80  -5.302   3.917   4.346
  567    HB   VAL  80           HB       VAL  80  -5.480   2.107   2.031
  568   1HG1  VAL  80          1HG1      VAL  80  -7.758   3.392   3.662
  569   2HG1  VAL  80          2HG1      VAL  80  -6.828   4.274   2.443
  570   3HG1  VAL  80          3HG1      VAL  80  -7.793   2.860   1.961
  571   1HG2  VAL  80          1HG2      VAL  80  -7.102   0.476   2.878
  572   2HG2  VAL  80          2HG2      VAL  80  -5.638   0.318   3.876
  573   3HG2  VAL  80          3HG2      VAL  80  -7.051   1.171   4.516
  574    H    MET  81           H        MET  81  -2.893   1.420   3.717
  575    HA   MET  81           HA       MET  81  -3.450  -0.259   6.099
  576   1HB   MET  81          1HB       MET  81  -1.466  -1.543   5.502
  577   2HB   MET  81          2HB       MET  81  -0.846  -0.255   4.484
  578   1HG   MET  81          1HG       MET  81  -3.284  -0.715   3.221
  579   2HG   MET  81          2HG       MET  81  -1.748  -1.469   2.762
  580   1HE   MET  81          1HE       MET  81  -4.715  -2.215   2.341
  581   2HE   MET  81          2HE       MET  81  -4.024  -3.808   1.914
  582   3HE   MET  81          3HE       MET  81  -5.296  -3.696   3.166
  583    H    MET  82           H        MET  82  -1.179   2.329   5.277
  584    HA   MET  82           HA       MET  82   0.632   2.133   7.560
  585   1HB   MET  82          1HB       MET  82   1.391   4.414   7.010
  586   2HB   MET  82          2HB       MET  82  -0.028   4.704   6.020
  587   1HG   MET  82          1HG       MET  82   1.387   2.288   5.052
  588   2HG   MET  82          2HG       MET  82   0.944   3.764   4.178
  589   1HE   MET  82          1HE       MET  82   3.951   3.268   7.333
  590   2HE   MET  82          2HE       MET  82   3.219   1.901   6.441
  591   3HE   MET  82          3HE       MET  82   4.860   2.466   6.013
  592    H    VAL  83           H        VAL  83  -2.226   4.197   6.981
  593    HA   VAL  83           HA       VAL  83  -2.276   5.541   9.592
  594    HB   VAL  83           HB       VAL  83  -4.896   5.717   8.906
  595   1HG1  VAL  83          1HG1      VAL  83  -4.342   7.872   7.764
  596   2HG1  VAL  83          2HG1      VAL  83  -3.355   7.665   9.218
  597   3HG1  VAL  83          3HG1      VAL  83  -2.635   7.380   7.616
  598   1HG2  VAL  83          1HG2      VAL  83  -3.506   5.316   6.173
  599   2HG2  VAL  83          2HG2      VAL  83  -4.779   4.276   6.853
  600   3HG2  VAL  83          3HG2      VAL  83  -5.152   5.952   6.427
  601    NH1  ARG  84           NH1      ARG  84  -9.923  -1.560  10.229
  602    NH2  ARG  84           NH2      ARG  84 -11.065  -0.080   8.939
  603    H    ARG  84           H        ARG  84  -3.957   2.679   8.273
  604    HA   ARG  84           HA       ARG  84  -5.574   1.833  10.490
  605   1HB   ARG  84          1HB       ARG  84  -4.188   0.316   8.247
  606   2HB   ARG  84          2HB       ARG  84  -4.837  -0.605   9.596
  607   1HG   ARG  84          1HG       ARG  84  -6.668   1.461   8.316
  608   2HG   ARG  84          2HG       ARG  84  -6.337  -0.025   7.423
  609   1HD   ARG  84          1HD       ARG  84  -7.088  -1.399   9.431
  610   2HD   ARG  84          2HD       ARG  84  -7.459   0.086  10.304
  611    HE   ARG  84           HE       ARG  84  -8.872  -0.027   7.682
  612   1HH1  ARG  84          1HH1      ARG  84 -11.905  -0.451   9.396
  613   2HH1  ARG  84          2HH1      ARG  84 -11.025   0.672   8.242
  614   1HH2  ARG  84          1HH2      ARG  84  -9.011  -1.902  10.552
  615   2HH2  ARG  84          2HH2      ARG  84 -10.846  -1.865  10.559
  616    H    GLN  85           H        GLN  85  -2.094   1.536   9.971
  617    HA   GLN  85           HA       GLN  85  -1.587  -0.388  12.208
  618   1HB   GLN  85          1HB       GLN  85  -0.166   0.204   9.946
  619   2HB   GLN  85          2HB       GLN  85   0.663   1.272  11.064
  620   1HG   GLN  85          1HG       GLN  85   1.885  -0.823  10.975
  621   2HG   GLN  85          2HG       GLN  85   1.201  -0.660  12.579
  622   1HE2  GLN  85          1HE2      GLN  85   0.231  -3.910  10.304
  623   2HE2  GLN  85          2HE2      GLN  85   1.342  -2.575   9.713
  624    H    MET  86           H        MET  86  -1.312   3.098  11.644
  625    HA   MET  86           HA       MET  86   0.187   3.838  14.057
  626   1HB   MET  86          1HB       MET  86  -1.519   5.430  12.092
  627   2HB   MET  86          2HB       MET  86  -0.999   6.180  13.590
  628   1HG   MET  86          1HG       MET  86   1.414   5.771  13.005
  629   2HG   MET  86          2HG       MET  86   0.923   4.943  11.519
  630   1HE   MET  86          1HE       MET  86   2.346   6.274  10.150
  631   2HE   MET  86          2HE       MET  86   1.954   7.898   9.513
  632   3HE   MET  86          3HE       MET  86   2.886   7.739  11.030
  633    H    LYS  87           H        LYS  87  -3.228   3.374  13.337
  634    HA   LYS  87           HA       LYS  87  -4.364   4.517  15.830
  635   1HB   LYS  87          1HB       LYS  87  -5.901   4.353  14.013
  636   2HB   LYS  87          2HB       LYS  87  -5.488   2.690  13.650
  637   1HG   LYS  87          1HG       LYS  87  -6.735   1.843  15.544
  638   2HG   LYS  87          2HG       LYS  87  -6.827   3.416  16.311
  639   1HD   LYS  87          1HD       LYS  87  -8.268   4.141  14.188
  640   2HD   LYS  87          2HD       LYS  87  -8.363   2.419  13.859
  641   1HE   LYS  87          1HE       LYS  87  -9.615   1.933  15.852
  642   2HE   LYS  87          2HE       LYS  87  -9.198   3.465  16.624
  643   1HZ   LYS  87          1HZ       LYS  87 -11.198   2.924  14.545
  644   2HZ   LYS  87          2HZ       LYS  87 -11.289   3.919  15.861
  645   3HZ   LYS  87          3HZ       LYS  87 -10.471   4.407  14.511
  646    H    GLU  88           H        GLU  88  -3.657   1.197  14.691
  647    HA   GLU  88           HA       GLU  88  -4.357  -0.209  17.189
  648   1HB   GLU  88          1HB       GLU  88  -3.950  -1.104  14.686
  649   2HB   GLU  88          2HB       GLU  88  -2.323  -1.381  15.274
  650   1HG   GLU  88          1HG       GLU  88  -4.062  -3.341  15.416
  651   2HG   GLU  88          2HG       GLU  88  -2.989  -3.083  16.781
  652    H    ASP  89           H        ASP  89  -3.055  -0.896  18.834
  653    HA   ASP  89           HA       ASP  89  -0.794   0.823  19.640
  654   1HB   ASP  89          1HB       ASP  89  -2.068  -1.636  20.927
  655   2HB   ASP  89          2HB       ASP  89  -2.168   0.037  21.423
  656    H    ALA  90           H        ALA  90  -0.828  -2.741  19.405
  657    HA   ALA  90           HA       ALA  90   2.025  -2.693  18.267
  658   1HB   ALA  90          1HB       ALA  90   1.390  -3.938  20.593
  659   2HB   ALA  90          2HB       ALA  90   0.870  -5.234  19.498
  660   3HB   ALA  90          3HB       ALA  90   2.557  -4.667  19.461
   
  Start of MODEL          24
 Raw file had  660 H/Q atoms
  Start of MODEL   24
    1   1H    ALA   1          1H        ALA   1 -23.923   2.622   5.491
    2   2H    ALA   1          2H        ALA   1 -23.768   1.874   6.989
    3   3H    ALA   1          3H        ALA   1 -24.061   3.528   6.901
    4    HA   ALA   1           HA       ALA   1 -21.980   4.083   6.319
    5   1HB   ALA   1          1HB       ALA   1 -20.750   3.325   8.117
    6   2HB   ALA   1          2HB       ALA   1 -22.259   2.517   8.582
    7   3HB   ALA   1          3HB       ALA   1 -20.987   1.604   7.731
    8    H    SER   2           H        SER   2 -20.787   3.990   4.558
    9    HA   SER   2           HA       SER   2 -20.072   1.310   3.256
   10   1HB   SER   2          1HB       SER   2 -20.664   3.671   1.447
   11   2HB   SER   2          2HB       SER   2 -20.733   1.939   1.110
   12    HG   SER   2           HG       SER   2 -22.630   1.790   2.072
   13    H    MET   3           H        MET   3 -17.973   1.115   2.999
   14    HA   MET   3           HA       MET   3 -16.105   3.543   3.096
   15   1HB   MET   3          1HB       MET   3 -14.273   1.965   3.599
   16   2HB   MET   3          2HB       MET   3 -15.562   1.872   4.785
   17   1HG   MET   3          1HG       MET   3 -14.699  -0.216   2.751
   18   2HG   MET   3          2HG       MET   3 -16.405  -0.191   3.224
   19   1HE   MET   3          1HE       MET   3 -16.530  -1.008   6.952
   20   2HE   MET   3          2HE       MET   3 -16.303   0.717   6.536
   21   3HE   MET   3          3HE       MET   3 -17.346  -0.316   5.515
   22    H    THR   4           H        THR   4 -17.583   3.312   0.848
   23    HA   THR   4           HA       THR   4 -15.990   2.000  -1.341
   24    HB   THR   4           HB       THR   4 -17.633   2.710  -2.897
   25    HG1  THR   4           HG1      THR   4 -18.785   4.395  -2.680
   26   1HG2  THR   4          1HG2      THR   4 -19.806   1.937  -2.024
   27   2HG2  THR   4          2HG2      THR   4 -18.524   0.860  -1.426
   28   3HG2  THR   4          3HG2      THR   4 -19.252   2.073  -0.341
   29    H    ASP   5           H        ASP   5 -15.135   4.411   0.517
   30    HA   ASP   5           HA       ASP   5 -13.492   5.804  -1.539
   31   1HB   ASP   5          1HB       ASP   5 -14.328   8.171  -0.730
   32   2HB   ASP   5          2HB       ASP   5 -15.133   7.333  -2.037
   33    H    GLN   6           H        GLN   6 -13.226   4.168   0.845
   34    HA   GLN   6           HA       GLN   6 -12.156   5.676   3.143
   35   1HB   GLN   6          1HB       GLN   6 -11.309   3.630   3.966
   36   2HB   GLN   6          2HB       GLN   6 -12.770   3.192   3.100
   37   1HG   GLN   6          1HG       GLN   6 -11.169   2.660   1.055
   38   2HG   GLN   6          2HG       GLN   6  -9.871   2.706   2.230
   39   1HE2  GLN   6          1HE2      GLN   6 -12.222  -0.620   1.975
   40   2HE2  GLN   6          2HE2      GLN   6 -12.263   0.784   0.795
   41    H    GLN   7           H        GLN   7 -10.883   4.661   0.021
   42    HA   GLN   7           HA       GLN   7  -8.056   4.823   0.279
   43   1HB   GLN   7          1HB       GLN   7  -8.230   5.946  -2.177
   44   2HB   GLN   7          2HB       GLN   7  -8.486   4.238  -1.865
   45   1HG   GLN   7          1HG       GLN   7 -10.677   4.293  -2.496
   46   2HG   GLN   7          2HG       GLN   7 -11.029   5.742  -1.578
   47   1HE2  GLN   7          1HE2      GLN   7 -10.037   6.062  -5.595
   48   2HE2  GLN   7          2HE2      GLN   7  -9.587   4.567  -4.631
   49    H    ALA   8           H        ALA   8 -10.178   7.554  -0.689
   50    HA   ALA   8           HA       ALA   8  -8.124   9.634  -0.625
   51   1HB   ALA   8          1HB       ALA   8 -10.472   9.655  -1.769
   52   2HB   ALA   8          2HB       ALA   8 -11.098  10.219  -0.208
   53   3HB   ALA   8          3HB       ALA   8  -9.879  11.184  -1.078
   54    H    GLU   9           H        GLU   9 -10.302   8.299   1.799
   55    HA   GLU   9           HA       GLU   9 -10.241  10.386   3.823
   56   1HB   GLU   9          1HB       GLU   9 -11.030   7.502   3.789
   57   2HB   GLU   9          2HB       GLU   9 -10.535   8.101   5.360
   58   1HG   GLU   9          1HG       GLU   9 -13.094   8.232   4.562
   59   2HG   GLU   9          2HG       GLU   9 -12.587   9.698   3.740
   60    H    ALA  10           H        ALA  10  -8.055   7.716   3.077
   61    HA   ALA  10           HA       ALA  10  -6.443   7.706   5.532
   62   1HB   ALA  10          1HB       ALA  10  -4.812   6.357   4.222
   63   2HB   ALA  10          2HB       ALA  10  -6.470   5.774   3.982
   64   3HB   ALA  10          3HB       ALA  10  -5.670   6.730   2.708
   65    NH1  ARG  11           NH1      ARG  11  -7.065  12.708  -3.245
   66    NH2  ARG  11           NH2      ARG  11  -4.831  13.016  -3.526
   67    H    ARG  11           H        ARG  11  -6.283   9.497   2.497
   68    HA   ARG  11           HA       ARG  11  -3.561  10.649   2.770
   69   1HB   ARG  11          1HB       ARG  11  -5.212  10.474   0.642
   70   2HB   ARG  11          2HB       ARG  11  -3.926  11.665   0.772
   71   1HG   ARG  11          1HG       ARG  11  -6.659  12.463   1.841
   72   2HG   ARG  11          2HG       ARG  11  -5.383  13.479   1.167
   73   1HD   ARG  11          1HD       ARG  11  -7.308  11.640  -0.383
   74   2HD   ARG  11          2HD       ARG  11  -7.191  13.395  -0.483
   75    HE   ARG  11           HE       ARG  11  -4.676  11.951  -1.288
   76   1HH1  ARG  11          1HH1      ARG  11  -7.140  12.920  -4.246
   77   2HH1  ARG  11          2HH1      ARG  11  -7.836  12.493  -2.603
   78   1HH2  ARG  11          1HH2      ARG  11  -3.896  13.019  -3.103
   79   2HH2  ARG  11          2HH2      ARG  11  -5.065  13.222  -4.503
   80    H    ALA  12           H        ALA  12  -6.829  11.592   3.718
   81    HA   ALA  12           HA       ALA  12  -6.502  14.315   4.561
   82   1HB   ALA  12          1HB       ALA  12  -8.404  13.949   6.120
   83   2HB   ALA  12          2HB       ALA  12  -8.711  13.195   4.543
   84   3HB   ALA  12          3HB       ALA  12  -8.255  12.184   5.938
   85    H    PHE  13           H        PHE  13  -5.515  11.317   6.136
   86    HA   PHE  13           HA       PHE  13  -4.638  12.752   8.666
   87   1HB   PHE  13          1HB       PHE  13  -4.622   9.722   8.153
   88   2HB   PHE  13          2HB       PHE  13  -6.051  10.573   8.678
   89    HD1  PHE  13           HD1      PHE  13  -5.562  12.200  10.892
   90    HD2  PHE  13           HD2      PHE  13  -3.226   8.754   9.799
   91    HE1  PHE  13           HE1      PHE  13  -4.905  11.885  13.243
   92    HE2  PHE  13           HE2      PHE  13  -2.528   8.497  12.143
   93    HZ   PHE  13           HZ       PHE  13  -3.363  10.057  13.868
   94    H    LEU  14           H        LEU  14  -3.275  13.209   6.196
   95    HA   LEU  14           HA       LEU  14  -0.443  12.626   7.025
   96   1HB   LEU  14          1HB       LEU  14  -1.258  11.735   4.207
   97   2HB   LEU  14          2HB       LEU  14   0.299  11.545   4.985
   98    HG   LEU  14           HG       LEU  14  -2.215  10.147   6.072
   99   1HD1  LEU  14          1HD1      LEU  14   0.761   9.403   6.393
  100   2HD1  LEU  14          2HD1      LEU  14  -0.174  10.313   7.594
  101   3HD1  LEU  14          3HD1      LEU  14  -0.628   8.635   7.204
  102   1HD2  LEU  14          1HD2      LEU  14  -1.668   8.133   4.770
  103   2HD2  LEU  14          2HD2      LEU  14  -1.797   9.488   3.621
  104   3HD2  LEU  14          3HD2      LEU  14  -0.201   8.892   4.100
  105    H    SER  15           H        SER  15   0.817  14.273   6.479
  106    HA   SER  15           HA       SER  15  -0.234  16.803   5.474
  107   1HB   SER  15          1HB       SER  15   2.436  17.252   5.279
  108   2HB   SER  15          2HB       SER  15   2.496  15.790   6.267
  109    HG   SER  15           HG       SER  15   2.273  17.412   7.657
  110    H    GLU  16           H        GLU  16   1.017  17.981   3.655
  111    HA   GLU  16           HA       GLU  16   0.476  16.535   1.088
  112   1HB   GLU  16          1HB       GLU  16  -0.114  18.998   1.605
  113   2HB   GLU  16          2HB       GLU  16   1.580  19.374   1.362
  114   1HG   GLU  16          1HG       GLU  16   1.490  18.677  -1.004
  115   2HG   GLU  16          2HG       GLU  16  -0.104  17.969  -0.804
  116    H    GLU  17           H        GLU  17   3.246  17.966   2.774
  117    HA   GLU  17           HA       GLU  17   5.238  17.297   0.636
  118   1HB   GLU  17          1HB       GLU  17   5.973  19.196   1.675
  119   2HB   GLU  17          2HB       GLU  17   5.351  18.751   3.252
  120   1HG   GLU  17          1HG       GLU  17   7.285  17.206   3.633
  121   2HG   GLU  17          2HG       GLU  17   7.872  17.483   2.002
  122    H    MET  18           H        MET  18   4.132  15.968   3.704
  123    HA   MET  18           HA       MET  18   6.080  13.874   4.184
  124   1HB   MET  18          1HB       MET  18   4.584  14.184   5.969
  125   2HB   MET  18          2HB       MET  18   3.162  14.211   4.942
  126   1HG   MET  18          1HG       MET  18   4.705  11.584   5.115
  127   2HG   MET  18          2HG       MET  18   2.974  11.858   4.858
  128   1HE   MET  18          1HE       MET  18   4.283  10.080   8.436
  129   2HE   MET  18          2HE       MET  18   2.971   9.683   7.287
  130   3HE   MET  18          3HE       MET  18   4.639   9.920   6.687
  131    H    ILE  19           H        ILE  19   3.311  14.085   2.013
  132    HA   ILE  19           HA       ILE  19   3.085  11.317   1.137
  133    HB   ILE  19           HB       ILE  19   2.476  13.812  -0.533
  134   1HG1  ILE  19          1HG1      ILE  19   1.147  12.916   1.863
  135   2HG1  ILE  19          2HG1      ILE  19   0.651  14.186   0.765
  136   1HG2  ILE  19          1HG2      ILE  19   0.980  12.326  -1.886
  137   2HG2  ILE  19          2HG2      ILE  19   2.643  11.745  -1.956
  138   3HG2  ILE  19          3HG2      ILE  19   1.465  10.914  -0.915
  139   1HD1  ILE  19          1HD1      ILE  19  -0.246  11.254   0.529
  140   2HD1  ILE  19          2HD1      ILE  19  -1.216  12.653   1.035
  141   3HD1  ILE  19          3HD1      ILE  19  -0.643  12.538  -0.646
  142    H    ALA  20           H        ALA  20   5.108  14.025   0.034
  143    HA   ALA  20           HA       ALA  20   6.300  13.009  -2.338
  144   1HB   ALA  20          1HB       ALA  20   6.623  15.313  -1.102
  145   2HB   ALA  20          2HB       ALA  20   8.025  14.541  -0.337
  146   3HB   ALA  20          3HB       ALA  20   7.952  14.694  -2.110
  147    H    GLU  21           H        GLU  21   7.030  12.232   1.028
  148    HA   GLU  21           HA       GLU  21   9.579  10.801   0.563
  149   1HB   GLU  21          1HB       GLU  21   7.727  10.735   3.004
  150   2HB   GLU  21          2HB       GLU  21   9.035  11.869   2.735
  151   1HG   GLU  21          1HG       GLU  21  10.677   9.873   2.737
  152   2HG   GLU  21          2HG       GLU  21   9.330   8.828   3.158
  153    H    PHE  22           H        PHE  22   6.189   9.847   1.009
  154    HA   PHE  22           HA       PHE  22   6.502   6.939   1.091
  155   1HB   PHE  22          1HB       PHE  22   4.123   8.677   0.226
  156   2HB   PHE  22          2HB       PHE  22   4.042   6.935   0.224
  157    HD1  PHE  22           HD1      PHE  22   2.056   7.665   1.880
  158    HD2  PHE  22           HD2      PHE  22   6.227   7.964   2.901
  159    HE1  PHE  22           HE1      PHE  22   1.474   7.785   4.266
  160    HE2  PHE  22           HE2      PHE  22   5.622   8.116   5.282
  161    HZ   PHE  22           HZ       PHE  22   3.252   7.993   5.971
  162    H    LYS  23           H        LYS  23   6.310   9.305  -1.505
  163    HA   LYS  23           HA       LYS  23   5.849   7.531  -3.787
  164   1HB   LYS  23          1HB       LYS  23   7.047   9.503  -5.103
  165   2HB   LYS  23          2HB       LYS  23   7.014  10.354  -3.573
  166   1HG   LYS  23          1HG       LYS  23   4.500   9.198  -4.919
  167   2HG   LYS  23          2HG       LYS  23   4.529  10.225  -3.499
  168   1HD   LYS  23          1HD       LYS  23   5.854  11.405  -5.957
  169   2HD   LYS  23          2HD       LYS  23   4.894  12.175  -4.705
  170   1HE   LYS  23          1HE       LYS  23   2.831  10.859  -5.744
  171   2HE   LYS  23          2HE       LYS  23   3.408  12.332  -6.525
  172   1HZ   LYS  23          1HZ       LYS  23   3.675   9.545  -7.407
  173   2HZ   LYS  23          2HZ       LYS  23   3.333  10.900  -8.289
  174   3HZ   LYS  23          3HZ       LYS  23   4.888  10.584  -7.829
  175    H    ALA  24           H        ALA  24   8.827   8.893  -2.361
  176    HA   ALA  24           HA       ALA  24  10.745   7.808  -4.287
  177   1HB   ALA  24          1HB       ALA  24  12.480   8.391  -2.602
  178   2HB   ALA  24          2HB       ALA  24  11.309   9.709  -2.797
  179   3HB   ALA  24          3HB       ALA  24  11.232   8.656  -1.361
  180    H    ALA  25           H        ALA  25   9.299   6.541  -1.331
  181    HA   ALA  25           HA       ALA  25  11.163   4.247  -0.972
  182   1HB   ALA  25          1HB       ALA  25   9.617   3.555   0.852
  183   2HB   ALA  25          2HB       ALA  25  10.032   5.275   0.980
  184   3HB   ALA  25          3HB       ALA  25   8.433   4.790   0.361
  185    H    PHE  26           H        PHE  26   8.022   4.794  -2.470
  186    HA   PHE  26           HA       PHE  26   7.223   1.966  -2.826
  187   1HB   PHE  26          1HB       PHE  26   5.662   4.017  -2.797
  188   2HB   PHE  26          2HB       PHE  26   6.193   4.390  -4.416
  189    HD1  PHE  26           HD1      PHE  26   3.590   4.147  -4.797
  190    HD2  PHE  26           HD2      PHE  26   6.094   0.788  -3.819
  191    HE1  PHE  26           HE1      PHE  26   1.934   2.612  -5.779
  192    HE2  PHE  26           HE2      PHE  26   4.422  -0.731  -4.798
  193    HZ   PHE  26           HZ       PHE  26   2.342   0.175  -5.774
  194    H    ASP  27           H        ASP  27   8.889   4.415  -4.766
  195    HA   ASP  27           HA       ASP  27   8.986   2.969  -7.324
  196   1HB   ASP  27          1HB       ASP  27   9.332   5.445  -7.153
  197   2HB   ASP  27          2HB       ASP  27  10.516   4.612  -8.133
  198    H    MET  28           H        MET  28  10.890   2.863  -4.397
  199    HA   MET  28           HA       MET  28  13.379   1.712  -5.352
  200   1HB   MET  28          1HB       MET  28  13.491   0.615  -2.959
  201   2HB   MET  28          2HB       MET  28  12.006   1.491  -2.633
  202   1HG   MET  28          1HG       MET  28  14.558   2.915  -3.615
  203   2HG   MET  28          2HG       MET  28  13.093   3.669  -2.965
  204   1HE   MET  28          1HE       MET  28  14.908   4.985  -1.002
  205   2HE   MET  28          2HE       MET  28  16.192   3.950  -0.310
  206   3HE   MET  28          3HE       MET  28  16.067   4.149  -2.082
  207    H    PHE  29           H        PHE  29  10.284   0.228  -4.467
  208    HA   PHE  29           HA       PHE  29  11.297  -2.540  -5.351
  209   1HB   PHE  29          1HB       PHE  29   9.710  -3.606  -3.874
  210   2HB   PHE  29          2HB       PHE  29   8.824  -2.132  -3.599
  211    HD1  PHE  29           HD1      PHE  29  12.424  -3.275  -3.094
  212    HD2  PHE  29           HD2      PHE  29   9.063  -1.109  -1.499
  213    HE1  PHE  29           HE1      PHE  29  13.640  -2.917  -0.983
  214    HE2  PHE  29           HE2      PHE  29  10.305  -0.747   0.594
  215    HZ   PHE  29           HZ       PHE  29  12.588  -1.649   0.858
  216    H    ASP  30           H        ASP  30  10.424  -0.434  -7.085
  217    HA   ASP  30           HA       ASP  30   8.200  -1.808  -8.576
  218   1HB   ASP  30          1HB       ASP  30   6.829  -0.447  -7.080
  219   2HB   ASP  30          2HB       ASP  30   7.758   0.994  -7.419
  220    H    ALA  31           H        ALA  31  10.482  -1.918  -9.576
  221    HA   ALA  31           HA       ALA  31  11.361   0.436 -11.222
  222   1HB   ALA  31          1HB       ALA  31  13.086  -1.130 -12.124
  223   2HB   ALA  31          2HB       ALA  31  13.055  -1.137 -10.350
  224   3HB   ALA  31          3HB       ALA  31  12.341  -2.495 -11.259
  225    H    ASP  32           H        ASP  32   9.330   0.799 -12.272
  226    HA   ASP  32           HA       ASP  32   9.072  -0.585 -14.913
  227   1HB   ASP  32          1HB       ASP  32   6.443  -0.845 -14.487
  228   2HB   ASP  32          2HB       ASP  32   6.912  -0.982 -12.808
  229    H    GLY  33           H        GLY  33   6.549   1.154 -13.126
  230   1HA   GLY  33          1HA       GLY  33   6.425   3.282 -15.274
  231   2HA   GLY  33          2HA       GLY  33   6.854   3.892 -13.674
  232    H    GLY  34           H        GLY  34   4.668   1.186 -14.393
  233   1HA   GLY  34          1HA       GLY  34   2.070   2.352 -14.456
  234   2HA   GLY  34          2HA       GLY  34   2.385   0.773 -13.731
  235    H    GLY  35           H        GLY  35   3.223   0.771 -11.486
  236   1HA   GLY  35          1HA       GLY  35   3.420   2.308  -9.315
  237   2HA   GLY  35          2HA       GLY  35   1.834   2.919  -9.798
  238    H    ASP  36           H        ASP  36   3.476  -0.195  -9.232
  239    HA   ASP  36           HA       ASP  36   1.443  -1.080  -7.231
  240   1HB   ASP  36          1HB       ASP  36   0.791  -3.212  -8.418
  241   2HB   ASP  36          2HB       ASP  36   0.085  -1.748  -9.063
  242    H    ILE  37           H        ILE  37   2.100  -2.991  -6.148
  243    HA   ILE  37           HA       ILE  37   4.841  -4.182  -6.705
  244    HB   ILE  37           HB       ILE  37   5.632  -3.822  -4.371
  245   1HG1  ILE  37          1HG1      ILE  37   3.124  -2.080  -4.125
  246   2HG1  ILE  37          2HG1      ILE  37   4.578  -1.584  -3.285
  247   1HG2  ILE  37          1HG2      ILE  37   6.517  -1.520  -4.767
  248   2HG2  ILE  37          2HG2      ILE  37   6.491  -2.432  -6.283
  249   3HG2  ILE  37          3HG2      ILE  37   5.246  -1.199  -5.971
  250   1HD1  ILE  37          1HD1      ILE  37   4.673  -3.671  -1.958
  251   2HD1  ILE  37          2HD1      ILE  37   3.079  -2.901  -1.801
  252   3HD1  ILE  37          3HD1      ILE  37   3.271  -4.329  -2.844
  253    H    SER  38           H        SER  38   5.069  -6.203  -5.764
  254    HA   SER  38           HA       SER  38   2.800  -7.964  -5.440
  255   1HB   SER  38          1HB       SER  38   5.237  -8.705  -3.861
  256   2HB   SER  38          2HB       SER  38   5.528  -8.334  -5.562
  257    HG   SER  38           HG       SER  38   3.273  -9.826  -5.181
  258    H    THR  39           H        THR  39   1.782  -8.802  -3.641
  259    HA   THR  39           HA       THR  39   1.330  -6.933  -1.354
  260    HB   THR  39           HB       THR  39  -0.388  -8.559  -2.611
  261    HG1  THR  39           HG1      THR  39  -0.734  -6.948  -1.004
  262   1HG2  THR  39          1HG2      THR  39  -1.079 -10.487  -1.255
  263   2HG2  THR  39          2HG2      THR  39   0.605 -10.733  -1.774
  264   3HG2  THR  39          3HG2      THR  39   0.250 -10.230  -0.100
  265    H    LYS  40           H        LYS  40   3.037  -9.946  -1.964
  266    HA   LYS  40           HA       LYS  40   3.588 -10.761   0.800
  267   1HB   LYS  40          1HB       LYS  40   4.063 -11.889  -1.700
  268   2HB   LYS  40          2HB       LYS  40   4.585 -12.544  -0.163
  269   1HG   LYS  40          1HG       LYS  40   6.225 -12.019  -2.320
  270   2HG   LYS  40          2HG       LYS  40   6.450 -10.527  -1.430
  271   1HD   LYS  40          1HD       LYS  40   8.082 -11.623  -0.251
  272   2HD   LYS  40          2HD       LYS  40   6.766 -12.411   0.604
  273   1HE   LYS  40          1HE       LYS  40   8.207 -14.199  -0.095
  274   2HE   LYS  40          2HE       LYS  40   8.402 -13.558  -1.728
  275   1HZ   LYS  40          1HZ       LYS  40   5.685 -13.968  -1.451
  276   2HZ   LYS  40          2HZ       LYS  40   6.743 -14.937  -2.270
  277   3HZ   LYS  40          3HZ       LYS  40   6.361 -15.273  -0.698
  278    H    GLU  41           H        GLU  41   5.119  -8.541  -1.465
  279    HA   GLU  41           HA       GLU  41   7.582  -8.109   0.205
  280   1HB   GLU  41          1HB       GLU  41   6.657  -6.871  -2.434
  281   2HB   GLU  41          2HB       GLU  41   8.090  -6.321  -1.589
  282   1HG   GLU  41          1HG       GLU  41   8.311  -8.114  -3.529
  283   2HG   GLU  41          2HG       GLU  41   7.771  -9.285  -2.337
  284    H    LEU  42           H        LEU  42   4.532  -6.503  -0.525
  285    HA   LEU  42           HA       LEU  42   4.706  -3.874   0.304
  286   1HB   LEU  42          1HB       LEU  42   2.507  -4.143  -0.082
  287   2HB   LEU  42          2HB       LEU  42   2.572  -5.861   0.252
  288    HG   LEU  42           HG       LEU  42   2.364  -3.771   2.503
  289   1HD1  LEU  42          1HD1      LEU  42  -0.108  -4.210   2.538
  290   2HD1  LEU  42          2HD1      LEU  42   0.390  -3.459   1.014
  291   3HD1  LEU  42          3HD1      LEU  42   0.033  -5.204   1.065
  292   1HD2  LEU  42          1HD2      LEU  42   1.695  -6.792   2.482
  293   2HD2  LEU  42          2HD2      LEU  42   3.112  -6.040   3.255
  294   3HD2  LEU  42          3HD2      LEU  42   1.485  -5.682   3.861
  295    H    GLY  43           H        GLY  43   4.681  -6.711   2.425
  296   1HA   GLY  43          1HA       GLY  43   4.715  -5.523   5.087
  297   2HA   GLY  43          2HA       GLY  43   5.502  -7.048   4.663
  298    H    THR  44           H        THR  44   7.572  -6.807   3.375
  299    HA   THR  44           HA       THR  44   9.703  -5.766   4.778
  300    HB   THR  44           HB       THR  44   9.459  -6.146   1.775
  301    HG1  THR  44           HG1      THR  44  10.842  -7.850   2.299
  302   1HG2  THR  44          1HG2      THR  44  11.945  -5.981   1.568
  303   2HG2  THR  44          2HG2      THR  44  11.230  -4.408   1.979
  304   3HG2  THR  44          3HG2      THR  44  12.057  -5.365   3.235
  305    H    VAL  45           H        VAL  45   7.682  -3.978   2.509
  306    HA   VAL  45           HA       VAL  45   9.278  -1.589   2.097
  307    HB   VAL  45           HB       VAL  45   6.226  -1.828   2.047
  308   1HG1  VAL  45          1HG1      VAL  45   8.166  -1.840  -0.349
  309   2HG1  VAL  45          2HG1      VAL  45   7.512  -3.312   0.378
  310   3HG1  VAL  45          3HG1      VAL  45   6.407  -2.136  -0.368
  311   1HG2  VAL  45          1HG2      VAL  45   6.118   0.251   0.772
  312   2HG2  VAL  45          2HG2      VAL  45   7.053   0.614   2.242
  313   3HG2  VAL  45          3HG2      VAL  45   7.894   0.391   0.701
  314    H    MET  46           H        MET  46   6.598  -2.175   4.408
  315    HA   MET  46           HA       MET  46   6.618   0.321   5.824
  316   1HB   MET  46          1HB       MET  46   5.400  -0.745   7.627
  317   2HB   MET  46          2HB       MET  46   6.032  -2.333   7.233
  318   1HG   MET  46          1HG       MET  46   3.746  -0.831   5.966
  319   2HG   MET  46          2HG       MET  46   4.755  -1.753   4.840
  320   1HE   MET  46          1HE       MET  46   3.359  -1.788   8.385
  321   2HE   MET  46          2HE       MET  46   2.442  -3.317   8.513
  322   3HE   MET  46          3HE       MET  46   4.206  -3.311   8.799
  323    NH1  ARG  47           NH1      ARG  47   9.087  -8.730   8.036
  324    NH2  ARG  47           NH2      ARG  47  11.104  -9.187   8.975
  325    H    ARG  47           H        ARG  47   8.661  -2.529   6.179
  326    HA   ARG  47           HA       ARG  47   9.928  -1.863   8.764
  327   1HB   ARG  47          1HB       ARG  47  10.638  -3.811   6.511
  328   2HB   ARG  47          2HB       ARG  47  11.785  -3.494   7.806
  329   1HG   ARG  47          1HG       ARG  47   8.988  -4.125   8.740
  330   2HG   ARG  47          2HG       ARG  47  10.542  -4.584   9.438
  331   1HD   ARG  47          1HD       ARG  47  10.428  -5.916   6.875
  332   2HD   ARG  47          2HD       ARG  47   8.830  -6.120   7.588
  333    HE   ARG  47           HE       ARG  47  11.006  -6.726   9.538
  334   1HH1  ARG  47          1HH1      ARG  47  10.819 -10.171   8.918
  335   2HH1  ARG  47          2HH1      ARG  47  12.000  -8.824   9.319
  336   1HH2  ARG  47          1HH2      ARG  47   8.459  -8.025   7.634
  337   2HH2  ARG  47          2HH2      ARG  47   8.928  -9.744   8.074
  338    H    MET  48           H        MET  48  10.776  -1.300   5.361
  339    HA   MET  48           HA       MET  48  13.344   0.124   6.024
  340   1HB   MET  48          1HB       MET  48  13.142   0.589   3.367
  341   2HB   MET  48          2HB       MET  48  11.973  -0.718   3.448
  342   1HG   MET  48          1HG       MET  48  14.650  -1.236   4.794
  343   2HG   MET  48          2HG       MET  48  13.584  -2.354   3.928
  344   1HE   MET  48          1HE       MET  48  16.736  -2.720   2.783
  345   2HE   MET  48          2HE       MET  48  15.130  -3.501   2.694
  346   3HE   MET  48          3HE       MET  48  15.943  -2.966   1.195
  347    H    LEU  49           H        LEU  49  10.345   1.077   6.569
  348    HA   LEU  49           HA       LEU  49  10.718   3.961   5.603
  349   1HB   LEU  49          1HB       LEU  49   8.230   2.417   6.528
  350   2HB   LEU  49          2HB       LEU  49   8.253   4.165   6.439
  351    HG   LEU  49           HG       LEU  49   8.300   2.115   4.185
  352   1HD1  LEU  49          1HD1      LEU  49   6.568   3.621   3.197
  353   2HD1  LEU  49          2HD1      LEU  49   6.126   3.164   4.852
  354   3HD1  LEU  49          3HD1      LEU  49   6.782   4.788   4.527
  355   1HD2  LEU  49          1HD2      LEU  49   9.373   4.994   3.823
  356   2HD2  LEU  49          2HD2      LEU  49  10.312   3.492   3.639
  357   3HD2  LEU  49          3HD2      LEU  49   8.999   3.851   2.508
  358    H    GLY  50           H        GLY  50  10.258   1.808   8.361
  359   1HA   GLY  50          1HA       GLY  50  11.959   2.701  10.301
  360   2HA   GLY  50          2HA       GLY  50  10.835   4.063  10.337
  361    H    GLN  51           H        GLN  51  10.211   0.585   9.903
  362    HA   GLN  51           HA       GLN  51   8.387   0.574  12.379
  363   1HB   GLN  51          1HB       GLN  51   7.313   0.669   9.881
  364   2HB   GLN  51          2HB       GLN  51   7.608  -1.059   9.952
  365   1HG   GLN  51          1HG       GLN  51   5.272  -0.248  10.685
  366   2HG   GLN  51          2HG       GLN  51   6.058  -1.428  11.712
  367   1HE2  GLN  51          1HE2      GLN  51   5.410   2.416  13.150
  368   2HE2  GLN  51          2HE2      GLN  51   5.134   1.972  11.391
  369    H    ASN  52           H        ASN  52   8.051  -1.558  13.246
  370    HA   ASN  52           HA       ASN  52  10.134  -3.650  12.489
  371   1HB   ASN  52          1HB       ASN  52  10.410  -2.044  14.694
  372   2HB   ASN  52          2HB       ASN  52   9.519  -3.358  15.431
  373   1HD2  ASN  52          1HD2      ASN  52  12.363  -5.674  14.948
  374   2HD2  ASN  52          2HD2      ASN  52  10.540  -5.578  15.135
  375    HA   PRO  53           HA       PRO  53   5.680  -5.459  13.351
  376   1HB   PRO  53          1HB       PRO  53   4.875  -6.230  10.834
  377   2HB   PRO  53          2HB       PRO  53   4.687  -4.587  11.467
  378   1HG   PRO  53          1HG       PRO  53   5.888  -4.087   9.507
  379   2HG   PRO  53          2HG       PRO  53   6.850  -5.583   9.533
  380   1HD   PRO  53          1HD       PRO  53   7.263  -2.971  11.028
  381   2HD   PRO  53          2HD       PRO  53   8.477  -4.203  10.567
  382    H    THR  54           H        THR  54   4.962  -7.773  12.777
  383    HA   THR  54           HA       THR  54   7.348  -9.645  13.026
  384    HB   THR  54           HB       THR  54   4.533 -10.659  13.425
  385    HG1  THR  54           HG1      THR  54   5.921  -9.382  15.498
  386   1HG2  THR  54          1HG2      THR  54   5.569 -12.023  15.210
  387   2HG2  THR  54          2HG2      THR  54   6.458 -12.254  13.687
  388   3HG2  THR  54          3HG2      THR  54   7.141 -11.223  14.971
  389    H    LYS  55           H        LYS  55   6.899 -11.868  12.011
  390    HA   LYS  55           HA       LYS  55   6.426 -11.513   9.058
  391   1HB   LYS  55          1HB       LYS  55   7.207 -14.100  10.523
  392   2HB   LYS  55          2HB       LYS  55   7.317 -13.797   8.802
  393   1HG   LYS  55          1HG       LYS  55   9.103 -12.086   9.189
  394   2HG   LYS  55          2HG       LYS  55   8.940 -12.265  10.925
  395   1HD   LYS  55          1HD       LYS  55  10.272 -14.125   8.920
  396   2HD   LYS  55          2HD       LYS  55  10.836 -13.555  10.483
  397   1HE   LYS  55          1HE       LYS  55  10.344 -15.656  11.235
  398   2HE   LYS  55          2HE       LYS  55   8.676 -15.088  11.329
  399   1HZ   LYS  55          1HZ       LYS  55   8.437 -16.943  10.037
  400   2HZ   LYS  55          2HZ       LYS  55   8.693 -15.867   8.809
  401   3HZ   LYS  55          3HZ       LYS  55   9.926 -16.836   9.329
  402    H    GLU  56           H        GLU  56   5.097 -13.358  11.792
  403    HA   GLU  56           HA       GLU  56   3.080 -14.881  10.296
  404   1HB   GLU  56          1HB       GLU  56   4.054 -15.354  12.665
  405   2HB   GLU  56          2HB       GLU  56   2.860 -14.223  13.270
  406   1HG   GLU  56          1HG       GLU  56   2.449 -16.995  12.083
  407   2HG   GLU  56          2HG       GLU  56   1.161 -15.827  11.840
  408    H    GLU  57           H        GLU  57   3.126 -11.740  11.888
  409    HA   GLU  57           HA       GLU  57   0.213 -11.155  11.727
  410   1HB   GLU  57          1HB       GLU  57   1.448  -9.990  13.416
  411   2HB   GLU  57          2HB       GLU  57   0.819  -8.816  12.277
  412   1HG   GLU  57          1HG       GLU  57   3.680  -9.768  11.836
  413   2HG   GLU  57          2HG       GLU  57   3.375  -8.757  13.238
  414    H    LEU  58           H        LEU  58   3.063 -10.670   9.708
  415    HA   LEU  58           HA       LEU  58   1.984  -8.901   7.662
  416   1HB   LEU  58          1HB       LEU  58   4.457  -9.857   8.080
  417   2HB   LEU  58          2HB       LEU  58   3.970 -11.100   6.947
  418    HG   LEU  58           HG       LEU  58   4.393  -8.121   6.452
  419   1HD1  LEU  58          1HD1      LEU  58   5.694  -8.978   4.476
  420   2HD1  LEU  58          2HD1      LEU  58   6.294  -9.666   5.992
  421   3HD1  LEU  58          3HD1      LEU  58   5.277 -10.654   4.915
  422   1HD2  LEU  58          1HD2      LEU  58   2.707  -9.914   4.578
  423   2HD2  LEU  58          2HD2      LEU  58   2.100  -8.529   5.520
  424   3HD2  LEU  58          3HD2      LEU  58   3.276  -8.264   4.220
  425    H    ASP  59           H        ASP  59   1.804 -12.383   8.167
  426    HA   ASP  59           HA       ASP  59   0.624 -13.122   5.572
  427   1HB   ASP  59          1HB       ASP  59   1.079 -14.578   8.176
  428   2HB   ASP  59          2HB       ASP  59   1.607 -14.970   6.556
  429    H    ALA  60           H        ALA  60  -0.659 -12.092   8.683
  430    HA   ALA  60           HA       ALA  60  -3.479 -12.801   8.286
  431   1HB   ALA  60          1HB       ALA  60  -3.924 -11.306  10.227
  432   2HB   ALA  60          2HB       ALA  60  -2.547 -12.379  10.539
  433   3HB   ALA  60          3HB       ALA  60  -2.267 -10.662  10.152
  434    H    ILE  61           H        ILE  61  -1.796  -9.641   8.082
  435    HA   ILE  61           HA       ILE  61  -3.837  -7.931   7.170
  436    HB   ILE  61           HB       ILE  61  -0.876  -7.861   6.444
  437   1HG1  ILE  61          1HG1      ILE  61  -2.580  -6.256   8.459
  438   2HG1  ILE  61          2HG1      ILE  61  -1.310  -7.401   8.834
  439   1HG2  ILE  61          1HG2      ILE  61  -1.201  -5.537   5.557
  440   2HG2  ILE  61          2HG2      ILE  61  -2.105  -6.703   4.593
  441   3HG2  ILE  61          3HG2      ILE  61  -2.963  -5.683   5.771
  442   1HD1  ILE  61          1HD1      ILE  61  -0.831  -4.670   7.504
  443   2HD1  ILE  61          2HD1      ILE  61  -0.428  -5.158   9.164
  444   3HD1  ILE  61          3HD1      ILE  61   0.431  -5.899   7.793
  445    H    ILE  62           H        ILE  62  -1.952 -10.352   5.440
  446    HA   ILE  62           HA       ILE  62  -2.683  -9.656   2.667
  447    HB   ILE  62           HB       ILE  62  -1.439 -12.087   3.964
  448   1HG1  ILE  62          1HG1      ILE  62   0.511 -11.324   3.042
  449   2HG1  ILE  62          2HG1      ILE  62  -0.203 -11.152   1.453
  450   1HG2  ILE  62          1HG2      ILE  62  -1.445 -13.366   1.807
  451   2HG2  ILE  62          2HG2      ILE  62  -3.094 -13.114   2.375
  452   3HG2  ILE  62          3HG2      ILE  62  -2.461 -12.117   1.046
  453   1HD1  ILE  62          1HD1      ILE  62  -0.302  -8.984   3.633
  454   2HD1  ILE  62          2HD1      ILE  62   0.651  -8.981   2.134
  455   3HD1  ILE  62          3HD1      ILE  62  -1.123  -8.878   2.051
  456    H    GLU  63           H        GLU  63  -3.930 -12.045   5.011
  457    HA   GLU  63           HA       GLU  63  -6.049 -13.245   3.525
  458   1HB   GLU  63          1HB       GLU  63  -5.750 -12.703   6.499
  459   2HB   GLU  63          2HB       GLU  63  -5.591 -14.212   5.622
  460   1HG   GLU  63          1HG       GLU  63  -8.337 -12.871   5.664
  461   2HG   GLU  63          2HG       GLU  63  -7.761 -13.630   7.138
  462    H    GLU  64           H        GLU  64  -6.119 -10.248   5.453
  463    HA   GLU  64           HA       GLU  64  -8.945  -9.594   5.088
  464   1HB   GLU  64          1HB       GLU  64  -6.930  -8.569   6.662
  465   2HB   GLU  64          2HB       GLU  64  -7.063  -7.290   5.472
  466   1HG   GLU  64          1HG       GLU  64  -8.518  -6.641   7.263
  467   2HG   GLU  64          2HG       GLU  64  -9.170  -8.258   7.470
  468    H    VAL  65           H        VAL  65  -6.025  -8.893   3.241
  469    HA   VAL  65           HA       VAL  65  -7.567  -7.221   1.206
  470    HB   VAL  65           HB       VAL  65  -4.532  -7.547   1.260
  471   1HG1  VAL  65          1HG1      VAL  65  -4.539  -5.411  -0.042
  472   2HG1  VAL  65          2HG1      VAL  65  -5.478  -6.662  -0.878
  473   3HG1  VAL  65          3HG1      VAL  65  -6.319  -5.359  -0.004
  474   1HG2  VAL  65          1HG2      VAL  65  -6.134  -5.326   2.706
  475   2HG2  VAL  65          2HG2      VAL  65  -5.139  -6.581   3.483
  476   3HG2  VAL  65          3HG2      VAL  65  -4.370  -5.352   2.470
  477    H    ASP  66           H        ASP  66  -7.973 -10.036   1.496
  478    HA   ASP  66           HA       ASP  66  -7.486 -10.854  -1.368
  479   1HB   ASP  66          1HB       ASP  66  -6.763 -12.964   0.710
  480   2HB   ASP  66          2HB       ASP  66  -5.563 -11.791   0.219
  481    H    GLU  67           H        GLU  67  -9.703  -9.953   0.158
  482    HA   GLU  67           HA       GLU  67 -11.526 -12.301   0.681
  483   1HB   GLU  67          1HB       GLU  67 -11.503  -9.926   1.885
  484   2HB   GLU  67          2HB       GLU  67 -12.512  -9.430   0.541
  485   1HG   GLU  67          1HG       GLU  67 -14.323 -10.868   1.181
  486   2HG   GLU  67          2HG       GLU  67 -13.291 -11.937   2.116
  487    H    ASP  68           H        ASP  68 -10.863  -9.870  -1.780
  488    HA   ASP  68           HA       ASP  68 -12.637 -11.376  -3.761
  489   1HB   ASP  68          1HB       ASP  68 -14.043  -9.564  -3.636
  490   2HB   ASP  68          2HB       ASP  68 -12.803  -8.463  -3.083
  491    H    GLY  69           H        GLY  69 -11.969 -10.917  -6.026
  492   1HA   GLY  69          1HA       GLY  69 -10.297 -10.898  -7.783
  493   2HA   GLY  69          2HA       GLY  69  -9.236 -11.641  -6.581
  494    H    SER  70           H        SER  70  -7.726 -10.464  -5.544
  495    HA   SER  70           HA       SER  70  -7.597  -7.440  -5.797
  496   1HB   SER  70          1HB       SER  70  -5.499  -7.906  -4.209
  497   2HB   SER  70          2HB       SER  70  -6.278  -9.471  -3.964
  498    HG   SER  70           HG       SER  70  -7.778  -7.088  -3.830
  499    H    GLY  71           H        GLY  71  -4.983  -9.865  -5.758
  500   1HA   GLY  71          1HA       GLY  71  -4.034  -9.097  -8.554
  501   2HA   GLY  71          2HA       GLY  71  -3.471 -10.491  -7.626
  502    H    THR  72           H        THR  72  -3.442  -6.943  -7.643
  503    HA   THR  72           HA       THR  72  -0.766  -6.922  -6.190
  504    HB   THR  72           HB       THR  72   0.299  -5.446  -7.724
  505    HG1  THR  72           HG1      THR  72  -0.670  -4.454  -9.299
  506   1HG2  THR  72          1HG2      THR  72  -0.939  -7.837  -9.176
  507   2HG2  THR  72          2HG2      THR  72   0.108  -6.691 -10.042
  508   3HG2  THR  72          3HG2      THR  72   0.743  -7.606  -8.649
  509    H    ILE  73           H        ILE  73  -0.289  -5.008  -5.084
  510    HA   ILE  73           HA       ILE  73  -2.708  -3.327  -4.366
  511    HB   ILE  73           HB       ILE  73  -1.625  -4.482  -2.482
  512   1HG1  ILE  73          1HG1      ILE  73  -2.816  -2.069  -2.451
  513   2HG1  ILE  73          2HG1      ILE  73  -1.234  -1.525  -1.922
  514   1HG2  ILE  73          1HG2      ILE  73   0.545  -3.836  -1.503
  515   2HG2  ILE  73          2HG2      ILE  73   0.808  -4.380  -3.166
  516   3HG2  ILE  73          3HG2      ILE  73   0.835  -2.641  -2.788
  517   1HD1  ILE  73          1HD1      ILE  73  -1.311  -2.736   0.143
  518   2HD1  ILE  73          2HD1      ILE  73  -2.971  -2.144  -0.076
  519   3HD1  ILE  73          3HD1      ILE  73  -2.585  -3.843  -0.437
  520    H    ASP  74           H        ASP  74  -2.574  -1.063  -4.341
  521    HA   ASP  74           HA       ASP  74  -0.460   0.141  -6.209
  522   1HB   ASP  74          1HB       ASP  74  -1.959   1.367  -7.304
  523   2HB   ASP  74          2HB       ASP  74  -2.753   1.870  -5.841
  524    H    PHE  75           H        PHE  75  -0.905   2.777  -5.718
  525    HA   PHE  75           HA       PHE  75   0.757   3.112  -3.265
  526   1HB   PHE  75          1HB       PHE  75   1.325   4.252  -5.426
  527   2HB   PHE  75          2HB       PHE  75  -0.133   5.206  -5.341
  528    HD1  PHE  75           HD1      PHE  75   0.027   7.383  -4.348
  529    HD2  PHE  75           HD2      PHE  75   2.941   4.416  -3.242
  530    HE1  PHE  75           HE1      PHE  75   1.305   9.083  -3.109
  531    HE2  PHE  75           HE2      PHE  75   4.152   6.112  -1.928
  532    HZ   PHE  75           HZ       PHE  75   3.356   8.449  -1.884
  533    H    GLU  76           H        GLU  76  -2.475   3.915  -4.411
  534    HA   GLU  76           HA       GLU  76  -3.241   5.805  -2.284
  535   1HB   GLU  76          1HB       GLU  76  -5.090   4.176  -4.105
  536   2HB   GLU  76          2HB       GLU  76  -5.576   5.522  -3.096
  537   1HG   GLU  76          1HG       GLU  76  -5.101   5.882  -5.694
  538   2HG   GLU  76          2HG       GLU  76  -3.408   5.925  -5.230
  539    H    GLU  77           H        GLU  77  -3.861   2.346  -2.853
  540    HA   GLU  77           HA       GLU  77  -5.334   1.785  -0.347
  541   1HB   GLU  77          1HB       GLU  77  -3.898  -0.062  -2.313
  542   2HB   GLU  77          2HB       GLU  77  -4.636  -0.663  -0.842
  543   1HG   GLU  77          1HG       GLU  77  -6.850  -0.263  -1.604
  544   2HG   GLU  77          2HG       GLU  77  -6.373   1.037  -2.684
  545    H    PHE  78           H        PHE  78  -1.955   1.865  -1.330
  546    HA   PHE  78           HA       PHE  78  -0.683   0.527   0.896
  547   1HB   PHE  78          1HB       PHE  78   0.710   0.946  -0.964
  548   2HB   PHE  78          2HB       PHE  78   0.273   2.629  -1.088
  549    HD1  PHE  78           HD1      PHE  78   2.705   3.238  -1.208
  550    HD2  PHE  78           HD2      PHE  78   1.118   1.293   2.287
  551    HE1  PHE  78           HE1      PHE  78   4.817   3.644  -0.008
  552    HE2  PHE  78           HE2      PHE  78   3.183   1.834   3.513
  553    HZ   PHE  78           HZ       PHE  78   5.040   2.994   2.366
  554    H    LEU  79           H        LEU  79  -1.598   3.940   0.435
  555    HA   LEU  79           HA       LEU  79  -0.654   4.975   3.030
  556   1HB   LEU  79          1HB       LEU  79  -3.019   6.251   1.607
  557   2HB   LEU  79          2HB       LEU  79  -1.720   7.009   2.503
  558    HG   LEU  79           HG       LEU  79  -1.783   6.101  -0.392
  559   1HD1  LEU  79          1HD1      LEU  79   0.893   6.377   1.121
  560   2HD1  LEU  79          2HD1      LEU  79   0.187   4.830   0.619
  561   3HD1  LEU  79          3HD1      LEU  79   0.675   6.021  -0.611
  562   1HD2  LEU  79          1HD2      LEU  79  -0.756   8.291  -0.823
  563   2HD2  LEU  79          2HD2      LEU  79  -2.086   8.552   0.333
  564   3HD2  LEU  79          3HD2      LEU  79  -0.412   8.541   0.907
  565    H    VAL  80           H        VAL  80  -3.577   3.380   1.910
  566    HA   VAL  80           HA       VAL  80  -5.360   4.077   4.133
  567    HB   VAL  80           HB       VAL  80  -5.518   1.813   2.090
  568   1HG1  VAL  80          1HG1      VAL  80  -7.300   4.315   2.338
  569   2HG1  VAL  80          2HG1      VAL  80  -5.869   4.249   1.301
  570   3HG1  VAL  80          3HG1      VAL  80  -7.231   3.148   0.991
  571   1HG2  VAL  80          1HG2      VAL  80  -7.809   1.302   2.796
  572   2HG2  VAL  80          2HG2      VAL  80  -6.773   1.134   4.233
  573   3HG2  VAL  80          3HG2      VAL  80  -7.783   2.574   4.041
  574    H    MET  81           H        MET  81  -3.028   1.501   3.538
  575    HA   MET  81           HA       MET  81  -3.783  -0.264   5.788
  576   1HB   MET  81          1HB       MET  81  -2.298  -0.700   3.555
  577   2HB   MET  81          2HB       MET  81  -2.262  -1.728   4.975
  578   1HG   MET  81          1HG       MET  81  -0.224  -0.122   5.744
  579   2HG   MET  81          2HG       MET  81  -0.153   0.250   4.014
  580   1HE   MET  81          1HE       MET  81   0.962  -3.732   6.095
  581   2HE   MET  81          2HE       MET  81   1.001  -2.076   6.769
  582   3HE   MET  81          3HE       MET  81  -0.566  -2.899   6.520
  583    H    MET  82           H        MET  82  -1.285   2.218   5.280
  584    HA   MET  82           HA       MET  82   0.058   1.860   7.898
  585   1HB   MET  82          1HB       MET  82   1.477   3.700   7.310
  586   2HB   MET  82          2HB       MET  82   0.300   4.393   6.209
  587   1HG   MET  82          1HG       MET  82   0.677   2.030   4.881
  588   2HG   MET  82          2HG       MET  82   1.705   3.448   4.627
  589   1HE   MET  82          1HE       MET  82   3.542   4.099   6.165
  590   2HE   MET  82          2HE       MET  82   3.945   3.146   7.623
  591   3HE   MET  82          3HE       MET  82   4.934   2.972   6.144
  592    H    VAL  83           H        VAL  83  -2.600   3.798   6.689
  593    HA   VAL  83           HA       VAL  83  -2.747   5.703   8.957
  594    HB   VAL  83           HB       VAL  83  -4.668   5.071   6.678
  595   1HG1  VAL  83          1HG1      VAL  83  -6.147   6.939   7.439
  596   2HG1  VAL  83          2HG1      VAL  83  -6.128   5.633   8.632
  597   3HG1  VAL  83          3HG1      VAL  83  -5.192   7.116   8.933
  598   1HG2  VAL  83          1HG2      VAL  83  -3.105   7.650   7.363
  599   2HG2  VAL  83          2HG2      VAL  83  -2.702   6.506   6.062
  600   3HG2  VAL  83          3HG2      VAL  83  -4.208   7.431   5.980
  601    NH1  ARG  84           NH1      ARG  84 -11.170   1.341   9.581
  602    NH2  ARG  84           NH2      ARG  84 -11.297   2.582   7.682
  603    H    ARG  84           H        ARG  84  -4.087   2.542   8.184
  604    HA   ARG  84           HA       ARG  84  -6.075   2.402  10.404
  605   1HB   ARG  84          1HB       ARG  84  -4.917   0.305   8.485
  606   2HB   ARG  84          2HB       ARG  84  -5.959  -0.146   9.828
  607   1HG   ARG  84          1HG       ARG  84  -6.811   1.916   7.711
  608   2HG   ARG  84          2HG       ARG  84  -7.138   0.188   7.565
  609   1HD   ARG  84          1HD       ARG  84  -8.743   0.170   9.288
  610   2HD   ARG  84          2HD       ARG  84  -7.980   1.482  10.184
  611    HE   ARG  84           HE       ARG  84  -8.878   2.950   8.062
  612   1HH1  ARG  84          1HH1      ARG  84 -12.196   1.372   9.576
  613   2HH1  ARG  84          2HH1      ARG  84 -10.573   0.861  10.263
  614   1HH2  ARG  84          1HH2      ARG  84 -10.798   3.049   6.917
  615   2HH2  ARG  84          2HH2      ARG  84 -12.313   2.524   7.808
  616    H    GLN  85           H        GLN  85  -2.741   1.271   9.878
  617    HA   GLN  85           HA       GLN  85  -2.567  -0.389  12.340
  618   1HB   GLN  85          1HB       GLN  85  -1.174  -0.736  10.222
  619   2HB   GLN  85          2HB       GLN  85  -0.257   0.700  10.640
  620   1HG   GLN  85          1HG       GLN  85  -0.211  -2.034  11.940
  621   2HG   GLN  85          2HG       GLN  85   0.051  -0.669  13.006
  622   1HE2  GLN  85          1HE2      GLN  85   3.354  -1.883  11.454
  623   2HE2  GLN  85          2HE2      GLN  85   1.916  -2.786  12.150
  624    H    MET  86           H        MET  86  -1.204   2.759  11.352
  625    HA   MET  86           HA       MET  86   0.341   3.477  13.629
  626   1HB   MET  86          1HB       MET  86  -1.340   5.568  12.146
  627   2HB   MET  86          2HB       MET  86   0.031   4.774  11.391
  628   1HG   MET  86          1HG       MET  86   1.299   6.471  12.255
  629   2HG   MET  86          2HG       MET  86   1.167   5.639  13.813
  630   1HE   MET  86          1HE       MET  86   0.141   8.230  15.937
  631   2HE   MET  86          2HE       MET  86   1.472   7.260  15.241
  632   3HE   MET  86          3HE       MET  86   1.252   8.961  14.736
  633    H    LYS  87           H        LYS  87  -3.149   3.906  13.111
  634    HA   LYS  87           HA       LYS  87  -3.740   5.269  15.685
  635   1HB   LYS  87          1HB       LYS  87  -5.230   5.383  13.622
  636   2HB   LYS  87          2HB       LYS  87  -5.693   3.715  13.879
  637   1HG   LYS  87          1HG       LYS  87  -7.089   4.213  15.671
  638   2HG   LYS  87          2HG       LYS  87  -6.084   5.522  16.262
  639   1HD   LYS  87          1HD       LYS  87  -6.938   6.871  14.128
  640   2HD   LYS  87          2HD       LYS  87  -8.135   5.594  13.990
  641   1HE   LYS  87          1HE       LYS  87  -9.383   7.064  15.273
  642   2HE   LYS  87          2HE       LYS  87  -8.635   6.164  16.593
  643   1HZ   LYS  87          1HZ       LYS  87  -8.020   8.218  17.248
  644   2HZ   LYS  87          2HZ       LYS  87  -6.804   8.100  16.136
  645   3HZ   LYS  87          3HZ       LYS  87  -8.196   8.905  15.755
  646    H    GLU  88           H        GLU  88  -4.303   1.942  14.466
  647    HA   GLU  88           HA       GLU  88  -4.520  -0.177  15.573
  648   1HB   GLU  88          1HB       GLU  88  -2.876  -0.725  17.057
  649   2HB   GLU  88          2HB       GLU  88  -2.179   0.729  16.369
  650   1HG   GLU  88          1HG       GLU  88  -2.338   1.939  18.364
  651   2HG   GLU  88          2HG       GLU  88  -3.841   1.176  18.855
  652    H    ASP  89           H        ASP  89  -5.020  -0.980  18.042
  653    HA   ASP  89           HA       ASP  89  -7.719   0.208  18.674
  654   1HB   ASP  89          1HB       ASP  89  -8.242  -1.960  18.917
  655   2HB   ASP  89          2HB       ASP  89  -7.444  -1.892  20.471
  656    H    ALA  90           H        ALA  90  -8.200   1.359  20.402
  657    HA   ALA  90           HA       ALA  90  -6.036   1.948  22.502
  658   1HB   ALA  90          1HB       ALA  90  -8.134   3.745  21.185
  659   2HB   ALA  90          2HB       ALA  90  -7.596   4.114  22.835
  660   3HB   ALA  90          3HB       ALA  90  -6.414   4.079  21.505
   
  Start of MODEL          25
 Raw file had  660 H/Q atoms
  Start of MODEL   25
    1   1H    ALA   1          1H        ALA   1 -20.640   2.161   7.294
    2   2H    ALA   1          2H        ALA   1 -19.815   1.488   5.992
    3   3H    ALA   1          3H        ALA   1 -19.424   3.034   6.526
    4    HA   ALA   1           HA       ALA   1 -21.723   2.088   4.983
    5   1HB   ALA   1          1HB       ALA   1 -22.448   4.712   5.749
    6   2HB   ALA   1          2HB       ALA   1 -23.195   3.212   6.331
    7   3HB   ALA   1          3HB       ALA   1 -21.895   3.983   7.276
    8    H    SER   2           H        SER   2 -21.679   2.988   2.999
    9    HA   SER   2           HA       SER   2 -20.696   3.972   1.021
   10   1HB   SER   2          1HB       SER   2 -20.240   6.559   1.489
   11   2HB   SER   2          2HB       SER   2 -21.878   5.902   1.438
   12    HG   SER   2           HG       SER   2 -20.572   7.067   3.448
   13    H    MET   3           H        MET   3 -18.828   2.533   1.315
   14    HA   MET   3           HA       MET   3 -16.219   3.918   2.124
   15   1HB   MET   3          1HB       MET   3 -16.459   1.714   3.130
   16   2HB   MET   3          2HB       MET   3 -16.841   0.967   1.586
   17   1HG   MET   3          1HG       MET   3 -14.116   2.323   1.940
   18   2HG   MET   3          2HG       MET   3 -14.577   1.029   0.823
   19   1HE   MET   3          1HE       MET   3 -13.750  -2.157   2.572
   20   2HE   MET   3          2HE       MET   3 -14.735  -1.404   1.283
   21   3HE   MET   3          3HE       MET   3 -12.981  -1.068   1.375
   22    H    THR   4           H        THR   4 -17.815   4.697  -0.139
   23    HA   THR   4           HA       THR   4 -16.291   3.857  -2.599
   24    HB   THR   4           HB       THR   4 -17.706   5.308  -3.890
   25    HG1  THR   4           HG1      THR   4 -19.186   6.654  -2.940
   26   1HG2  THR   4          1HG2      THR   4 -19.993   4.503  -3.439
   27   2HG2  THR   4          2HG2      THR   4 -18.852   3.154  -3.234
   28   3HG2  THR   4          3HG2      THR   4 -19.550   3.960  -1.806
   29    H    ASP   5           H        ASP   5 -15.203   5.410  -0.095
   30    HA   ASP   5           HA       ASP   5 -13.151   6.971  -1.432
   31   1HB   ASP   5          1HB       ASP   5 -13.874   9.321  -0.549
   32   2HB   ASP   5          2HB       ASP   5 -14.505   8.734  -2.071
   33    H    GLN   6           H        GLN   6 -13.119   5.056   0.447
   34    HA   GLN   6           HA       GLN   6 -12.627   6.189   3.201
   35   1HB   GLN   6          1HB       GLN   6 -12.582   3.437   1.969
   36   2HB   GLN   6          2HB       GLN   6 -11.442   3.709   3.274
   37   1HG   GLN   6          1HG       GLN   6 -13.912   2.808   3.764
   38   2HG   GLN   6          2HG       GLN   6 -14.367   4.498   3.692
   39   1HE2  GLN   6          1HE2      GLN   6 -13.383   3.481   7.263
   40   2HE2  GLN   6          2HE2      GLN   6 -14.387   2.644   5.976
   41    H    GLN   7           H        GLN   7 -10.847   5.232   0.311
   42    HA   GLN   7           HA       GLN   7  -8.079   5.497   1.171
   43   1HB   GLN   7          1HB       GLN   7  -9.071   6.447  -1.572
   44   2HB   GLN   7          2HB       GLN   7  -7.470   5.880  -1.130
   45   1HG   GLN   7          1HG       GLN   7  -8.009   3.655  -1.338
   46   2HG   GLN   7          2HG       GLN   7  -9.594   3.833  -0.615
   47   1HE2  GLN   7          1HE2      GLN   7 -10.751   3.162  -3.976
   48   2HE2  GLN   7          2HE2      GLN   7 -10.472   2.496  -2.289
   49    H    ALA   8           H        ALA   8 -10.525   7.891   0.235
   50    HA   ALA   8           HA       ALA   8  -8.849  10.276   0.026
   51   1HB   ALA   8          1HB       ALA   8 -11.232  11.383   0.699
   52   2HB   ALA   8          2HB       ALA   8 -10.909  10.708  -0.909
   53   3HB   ALA   8          3HB       ALA   8 -11.818   9.753   0.290
   54    H    GLU   9           H        GLU   9 -10.359   8.604   2.730
   55    HA   GLU   9           HA       GLU   9 -10.138  10.685   4.783
   56   1HB   GLU   9          1HB       GLU   9 -11.596   8.557   4.849
   57   2HB   GLU   9          2HB       GLU   9 -10.164   7.681   5.351
   58   1HG   GLU   9          1HG       GLU   9 -10.033   9.541   7.294
   59   2HG   GLU   9          2HG       GLU   9 -11.715   9.829   6.884
   60    H    ALA  10           H        ALA  10  -7.974   8.168   3.591
   61    HA   ALA  10           HA       ALA  10  -5.958   8.205   5.730
   62   1HB   ALA  10          1HB       ALA  10  -4.508   6.987   4.114
   63   2HB   ALA  10          2HB       ALA  10  -6.145   6.305   4.152
   64   3HB   ALA  10          3HB       ALA  10  -5.641   7.334   2.787
   65    NH1  ARG  11           NH1      ARG  11  -5.411  14.876  -3.255
   66    NH2  ARG  11           NH2      ARG  11  -4.303  16.577  -2.235
   67    H    ARG  11           H        ARG  11  -6.208   9.849   2.578
   68    HA   ARG  11           HA       ARG  11  -3.606  11.269   2.696
   69   1HB   ARG  11          1HB       ARG  11  -4.926  10.709   0.558
   70   2HB   ARG  11          2HB       ARG  11  -6.042  12.000   0.980
   71   1HG   ARG  11          1HG       ARG  11  -3.981  13.604   1.060
   72   2HG   ARG  11          2HG       ARG  11  -3.067  12.308   0.286
   73   1HD   ARG  11          1HD       ARG  11  -4.428  12.357  -1.721
   74   2HD   ARG  11          2HD       ARG  11  -5.723  13.262  -0.939
   75    HE   ARG  11           HE       ARG  11  -3.099  14.733  -1.077
   76   1HH1  ARG  11          1HH1      ARG  11  -5.829  15.605  -3.844
   77   2HH1  ARG  11          2HH1      ARG  11  -5.570  13.865  -3.324
   78   1HH2  ARG  11          1HH2      ARG  11  -3.603  16.861  -1.541
   79   2HH2  ARG  11          2HH2      ARG  11  -4.812  17.191  -2.882
   80    H    ALA  12           H        ALA  12  -6.928  11.994   3.624
   81    HA   ALA  12           HA       ALA  12  -6.798  14.841   4.128
   82   1HB   ALA  12          1HB       ALA  12  -8.725  14.526   5.664
   83   2HB   ALA  12          2HB       ALA  12  -8.935  13.587   4.173
   84   3HB   ALA  12          3HB       ALA  12  -8.467  12.765   5.682
   85    H    PHE  13           H        PHE  13  -5.525  12.128   5.947
   86    HA   PHE  13           HA       PHE  13  -5.174  13.538   8.534
   87   1HB   PHE  13          1HB       PHE  13  -5.522  11.030   8.266
   88   2HB   PHE  13          2HB       PHE  13  -3.911  10.885   7.615
   89    HD1  PHE  13           HD1      PHE  13  -3.380   9.293   9.511
   90    HD2  PHE  13           HD2      PHE  13  -4.441  13.386  10.317
   91    HE1  PHE  13           HE1      PHE  13  -2.560   9.063  11.821
   92    HE2  PHE  13           HE2      PHE  13  -3.584  13.146  12.610
   93    HZ   PHE  13           HZ       PHE  13  -2.609  11.001  13.355
   94    H    LEU  14           H        LEU  14  -3.030  12.551   5.864
   95    HA   LEU  14           HA       LEU  14  -0.669  14.034   7.125
   96   1HB   LEU  14          1HB       LEU  14   0.476  12.699   5.024
   97   2HB   LEU  14          2HB       LEU  14   0.377  12.088   6.661
   98    HG   LEU  14           HG       LEU  14  -1.937  11.440   4.786
   99   1HD1  LEU  14          1HD1      LEU  14  -0.505   9.711   6.903
  100   2HD1  LEU  14          2HD1      LEU  14  -1.931  10.712   7.233
  101   3HD1  LEU  14          3HD1      LEU  14  -2.050   9.349   6.092
  102   1HD2  LEU  14          1HD2      LEU  14  -0.767   9.552   3.732
  103   2HD2  LEU  14          2HD2      LEU  14   0.207  11.012   3.433
  104   3HD2  LEU  14          3HD2      LEU  14   0.711   9.860   4.678
  105    H    SER  15           H        SER  15   0.044  15.835   6.266
  106    HA   SER  15           HA       SER  15  -1.163  17.382   4.136
  107   1HB   SER  15          1HB       SER  15   1.786  17.695   4.842
  108   2HB   SER  15          2HB       SER  15   0.535  18.093   6.022
  109    HG   SER  15           HG       SER  15  -0.152  19.688   4.810
  110    H    GLU  16           H        GLU  16   0.295  18.121   2.207
  111    HA   GLU  16           HA       GLU  16   0.594  15.798   0.372
  112   1HB   GLU  16          1HB       GLU  16   0.794  18.807   0.021
  113   2HB   GLU  16          2HB       GLU  16   1.448  17.762  -1.224
  114   1HG   GLU  16          1HG       GLU  16  -0.659  17.040  -1.947
  115   2HG   GLU  16          2HG       GLU  16  -1.369  17.094  -0.343
  116    H    GLU  17           H        GLU  17   2.702  18.026   2.081
  117    HA   GLU  17           HA       GLU  17   5.224  17.683   0.763
  118   1HB   GLU  17          1HB       GLU  17   4.752  18.090   3.759
  119   2HB   GLU  17          2HB       GLU  17   6.350  18.073   3.038
  120   1HG   GLU  17          1HG       GLU  17   6.136  20.205   2.157
  121   2HG   GLU  17          2HG       GLU  17   4.950  20.363   3.442
  122    H    MET  18           H        MET  18   3.942  15.741   3.486
  123    HA   MET  18           HA       MET  18   6.183  13.861   3.683
  124   1HB   MET  18          1HB       MET  18   4.583  12.385   4.986
  125   2HB   MET  18          2HB       MET  18   4.793  14.013   5.605
  126   1HG   MET  18          1HG       MET  18   2.526  14.340   3.966
  127   2HG   MET  18          2HG       MET  18   2.321  12.689   4.574
  128   1HE   MET  18          1HE       MET  18   4.067  15.823   5.687
  129   2HE   MET  18          2HE       MET  18   2.752  16.665   6.558
  130   3HE   MET  18          3HE       MET  18   3.951  15.703   7.471
  131    H    ILE  19           H        ILE  19   3.214  13.936   1.788
  132    HA   ILE  19           HA       ILE  19   3.147  11.229   0.730
  133    HB   ILE  19           HB       ILE  19   2.263  13.722  -0.810
  134   1HG1  ILE  19          1HG1      ILE  19   1.263  13.183   1.693
  135   2HG1  ILE  19          2HG1      ILE  19   0.325  13.919   0.412
  136   1HG2  ILE  19          1HG2      ILE  19   0.692  12.169  -1.991
  137   2HG2  ILE  19          2HG2      ILE  19   2.358  11.641  -2.219
  138   3HG2  ILE  19          3HG2      ILE  19   1.317  10.788  -1.057
  139   1HD1  ILE  19          1HD1      ILE  19   0.216  10.931   1.132
  140   2HD1  ILE  19          2HD1      ILE  19  -1.025  12.167   1.423
  141   3HD1  ILE  19          3HD1      ILE  19  -0.640  11.679  -0.244
  142    H    ALA  20           H        ALA  20   4.881  14.154  -0.308
  143    HA   ALA  20           HA       ALA  20   5.995  13.362  -2.810
  144   1HB   ALA  20          1HB       ALA  20   7.472  15.170  -2.614
  145   2HB   ALA  20          2HB       ALA  20   6.192  15.634  -1.476
  146   3HB   ALA  20          3HB       ALA  20   7.725  14.962  -0.864
  147    H    GLU  21           H        GLU  21   7.146  12.659   0.478
  148    HA   GLU  21           HA       GLU  21   9.667  11.313  -0.371
  149   1HB   GLU  21          1HB       GLU  21   9.157  12.591   1.873
  150   2HB   GLU  21          2HB       GLU  21   8.470  11.075   2.422
  151   1HG   GLU  21          1HG       GLU  21  10.544  10.044   2.660
  152   2HG   GLU  21          2HG       GLU  21  11.043  11.712   2.883
  153    H    PHE  22           H        PHE  22   6.420  10.361   0.624
  154    HA   PHE  22           HA       PHE  22   6.695   7.536   1.127
  155   1HB   PHE  22          1HB       PHE  22   4.343   9.036  -0.164
  156   2HB   PHE  22          2HB       PHE  22   4.269   7.346   0.260
  157    HD1  PHE  22           HD1      PHE  22   6.303   8.340   2.835
  158    HD2  PHE  22           HD2      PHE  22   2.297   9.107   1.458
  159    HE1  PHE  22           HE1      PHE  22   5.615   8.916   5.125
  160    HE2  PHE  22           HE2      PHE  22   1.637   9.711   3.751
  161    HZ   PHE  22           HZ       PHE  22   3.284   9.596   5.590
  162    H    LYS  23           H        LYS  23   6.131   9.273  -1.935
  163    HA   LYS  23           HA       LYS  23   5.881   7.063  -3.764
  164   1HB   LYS  23          1HB       LYS  23   7.376   9.504  -4.760
  165   2HB   LYS  23          2HB       LYS  23   6.116   8.574  -5.543
  166   1HG   LYS  23          1HG       LYS  23   4.460   9.581  -3.808
  167   2HG   LYS  23          2HG       LYS  23   5.762  10.632  -3.285
  168   1HD   LYS  23          1HD       LYS  23   4.726  12.064  -4.813
  169   2HD   LYS  23          2HD       LYS  23   4.080  10.736  -5.764
  170   1HE   LYS  23          1HE       LYS  23   7.039  11.583  -5.871
  171   2HE   LYS  23          2HE       LYS  23   6.278  10.362  -6.892
  172   1HZ   LYS  23          1HZ       LYS  23   5.105  13.063  -6.891
  173   2HZ   LYS  23          2HZ       LYS  23   6.544  12.845  -7.673
  174   3HZ   LYS  23          3HZ       LYS  23   5.218  11.969  -8.124
  175    H    ALA  24           H        ALA  24   8.777   8.782  -2.611
  176    HA   ALA  24           HA       ALA  24  10.835   7.713  -4.289
  177   1HB   ALA  24          1HB       ALA  24  12.428   8.225  -2.448
  178   2HB   ALA  24          2HB       ALA  24  11.251   9.535  -2.660
  179   3HB   ALA  24          3HB       ALA  24  11.086   8.404  -1.293
  180    H    ALA  25           H        ALA  25   9.370   6.330  -1.361
  181    HA   ALA  25           HA       ALA  25  11.211   4.015  -1.113
  182   1HB   ALA  25          1HB       ALA  25   9.658   3.242   0.671
  183   2HB   ALA  25          2HB       ALA  25  10.071   4.954   0.876
  184   3HB   ALA  25          3HB       ALA  25   8.475   4.496   0.229
  185    H    PHE  26           H        PHE  26   7.901   4.501  -2.328
  186    HA   PHE  26           HA       PHE  26   7.131   1.739  -2.776
  187   1HB   PHE  26          1HB       PHE  26   5.631   3.850  -2.815
  188   2HB   PHE  26          2HB       PHE  26   6.149   4.117  -4.459
  189    HD1  PHE  26           HD1      PHE  26   5.221   2.747  -6.297
  190    HD2  PHE  26           HD2      PHE  26   4.295   1.749  -2.216
  191    HE1  PHE  26           HE1      PHE  26   3.451   1.217  -7.061
  192    HE2  PHE  26           HE2      PHE  26   2.505   0.251  -2.998
  193    HZ   PHE  26           HZ       PHE  26   2.069  -0.005  -5.417
  194    H    ASP  27           H        ASP  27   8.989   4.038  -4.692
  195    HA   ASP  27           HA       ASP  27   9.013   2.441  -7.204
  196   1HB   ASP  27          1HB       ASP  27  10.298   5.051  -6.351
  197   2HB   ASP  27          2HB       ASP  27   9.196   4.720  -7.668
  198    H    MET  28           H        MET  28  11.078   2.844  -4.391
  199    HA   MET  28           HA       MET  28  13.610   1.835  -5.265
  200   1HB   MET  28          1HB       MET  28  13.427   0.689  -2.708
  201   2HB   MET  28          2HB       MET  28  12.270   2.004  -2.611
  202   1HG   MET  28          1HG       MET  28  14.077   3.637  -3.376
  203   2HG   MET  28          2HG       MET  28  14.431   2.834  -1.838
  204   1HE   MET  28          1HE       MET  28  15.920   1.138  -1.333
  205   2HE   MET  28          2HE       MET  28  17.245   0.484  -2.340
  206   3HE   MET  28          3HE       MET  28  17.355   2.148  -1.695
  207    H    PHE  29           H        PHE  29  10.640   0.111  -4.471
  208    HA   PHE  29           HA       PHE  29  11.905  -2.631  -4.770
  209   1HB   PHE  29          1HB       PHE  29   9.344  -3.327  -4.395
  210   2HB   PHE  29          2HB       PHE  29   9.140  -1.675  -3.881
  211    HD1  PHE  29           HD1      PHE  29  12.469  -2.977  -3.094
  212    HD2  PHE  29           HD2      PHE  29   8.420  -2.731  -1.650
  213    HE1  PHE  29           HE1      PHE  29  13.235  -3.517  -0.819
  214    HE2  PHE  29           HE2      PHE  29   9.208  -3.279   0.616
  215    HZ   PHE  29           HZ       PHE  29  11.610  -3.664   1.038
  216    H    ASP  30           H        ASP  30   9.138  -0.835  -6.170
  217    HA   ASP  30           HA       ASP  30   8.739  -2.785  -8.383
  218   1HB   ASP  30          1HB       ASP  30   6.774  -1.727  -8.865
  219   2HB   ASP  30          2HB       ASP  30   6.968  -1.169  -7.220
  220    H    ALA  31           H        ALA  31   8.393  -1.482 -10.645
  221    HA   ALA  31           HA       ALA  31  11.190  -0.917 -11.584
  222   1HB   ALA  31          1HB       ALA  31  10.180  -0.928 -13.869
  223   2HB   ALA  31          2HB       ALA  31   9.724  -2.371 -12.942
  224   3HB   ALA  31          3HB       ALA  31   8.545  -1.055 -13.177
  225    H    ASP  32           H        ASP  32  10.631   0.858 -13.654
  226    HA   ASP  32           HA       ASP  32  10.283   3.514 -12.207
  227   1HB   ASP  32          1HB       ASP  32  11.513   4.596 -13.928
  228   2HB   ASP  32          2HB       ASP  32  12.387   3.128 -13.552
  229    H    GLY  33           H        GLY  33   8.193   3.972 -12.095
  230   1HA   GLY  33          1HA       GLY  33   6.063   4.870 -12.950
  231   2HA   GLY  33          2HA       GLY  33   6.567   4.424 -14.583
  232    H    GLY  34           H        GLY  34   6.684   2.199 -11.851
  233   1HA   GLY  34          1HA       GLY  34   5.209   0.015 -13.148
  234   2HA   GLY  34          2HA       GLY  34   5.593   0.100 -11.425
  235    H    GLY  35           H        GLY  35   4.228   1.397 -10.040
  236   1HA   GLY  35          1HA       GLY  35   2.046   2.794  -9.804
  237   2HA   GLY  35          2HA       GLY  35   1.352   1.745 -11.044
  238    H    ASP  36           H        ASP  36   2.613  -0.676 -10.008
  239    HA   ASP  36           HA       ASP  36   1.122  -1.153  -7.383
  240   1HB   ASP  36          1HB       ASP  36   0.081  -3.229  -8.244
  241   2HB   ASP  36          2HB       ASP  36  -0.501  -1.795  -9.059
  242    H    ILE  37           H        ILE  37   1.700  -3.267  -6.442
  243    HA   ILE  37           HA       ILE  37   4.378  -4.480  -7.244
  244    HB   ILE  37           HB       ILE  37   5.350  -4.279  -5.006
  245   1HG1  ILE  37          1HG1      ILE  37   3.563  -2.047  -4.050
  246   2HG1  ILE  37          2HG1      ILE  37   2.806  -3.626  -4.017
  247   1HG2  ILE  37          1HG2      ILE  37   6.074  -1.893  -5.161
  248   2HG2  ILE  37          2HG2      ILE  37   5.946  -2.598  -6.779
  249   3HG2  ILE  37          3HG2      ILE  37   4.677  -1.498  -6.191
  250   1HD1  ILE  37          1HD1      ILE  37   5.410  -2.930  -2.540
  251   2HD1  ILE  37          2HD1      ILE  37   3.804  -3.224  -1.837
  252   3HD1  ILE  37          3HD1      ILE  37   4.686  -4.559  -2.613
  253    H    SER  38           H        SER  38   4.751  -6.215  -5.283
  254    HA   SER  38           HA       SER  38   2.417  -8.103  -5.367
  255   1HB   SER  38          1HB       SER  38   4.618  -8.936  -3.590
  256   2HB   SER  38          2HB       SER  38   5.223  -8.412  -5.163
  257    HG   SER  38           HG       SER  38   3.209 -10.331  -4.619
  258    H    THR  39           H        THR  39   1.299  -8.850  -3.589
  259    HA   THR  39           HA       THR  39   0.611  -6.873  -1.492
  260    HB   THR  39           HB       THR  39  -1.024  -8.412  -0.645
  261    HG1  THR  39           HG1      THR  39   0.588 -10.273  -1.893
  262   1HG2  THR  39          1HG2      THR  39  -2.410  -8.927  -2.605
  263   2HG2  THR  39          2HG2      THR  39  -1.631  -7.348  -2.860
  264   3HG2  THR  39          3HG2      THR  39  -1.017  -8.795  -3.703
  265    H    LYS  40           H        LYS  40   2.849  -9.523  -1.742
  266    HA   LYS  40           HA       LYS  40   3.217 -10.022   1.169
  267   1HB   LYS  40          1HB       LYS  40   4.011 -11.311  -1.296
  268   2HB   LYS  40          2HB       LYS  40   5.494 -10.944  -0.441
  269   1HG   LYS  40          1HG       LYS  40   4.767 -12.227   1.530
  270   2HG   LYS  40          2HG       LYS  40   3.140 -12.400   0.901
  271   1HD   LYS  40          1HD       LYS  40   4.117 -14.533   0.481
  272   2HD   LYS  40          2HD       LYS  40   4.167 -13.728  -1.079
  273   1HE   LYS  40          1HE       LYS  40   6.488 -14.397   0.767
  274   2HE   LYS  40          2HE       LYS  40   6.657 -12.978  -0.269
  275   1HZ   LYS  40          1HZ       LYS  40   5.693 -15.438  -1.549
  276   2HZ   LYS  40          2HZ       LYS  40   6.714 -14.277  -2.134
  277   3HZ   LYS  40          3HZ       LYS  40   7.275 -15.413  -1.073
  278    H    GLU  41           H        GLU  41   4.445  -7.738  -1.129
  279    HA   GLU  41           HA       GLU  41   7.096  -7.261   0.190
  280   1HB   GLU  41          1HB       GLU  41   6.634  -5.097  -1.570
  281   2HB   GLU  41          2HB       GLU  41   5.783  -6.431  -2.325
  282   1HG   GLU  41          1HG       GLU  41   8.752  -6.033  -1.912
  283   2HG   GLU  41          2HG       GLU  41   8.193  -7.686  -1.722
  284    H    LEU  42           H        LEU  42   4.026  -5.442  -0.148
  285    HA   LEU  42           HA       LEU  42   4.511  -2.961   0.948
  286   1HB   LEU  42          1HB       LEU  42   2.066  -3.958   2.217
  287   2HB   LEU  42          2HB       LEU  42   2.285  -2.752   0.929
  288    HG   LEU  42           HG       LEU  42   2.216  -5.761   0.325
  289   1HD1  LEU  42          1HD1      LEU  42  -0.228  -5.487  -0.215
  290   2HD1  LEU  42          2HD1      LEU  42   0.094  -5.242   1.508
  291   3HD1  LEU  42          3HD1      LEU  42  -0.197  -3.835   0.455
  292   1HD2  LEU  42          1HD2      LEU  42   1.647  -3.270  -1.435
  293   2HD2  LEU  42          2HD2      LEU  42   3.106  -4.289  -1.510
  294   3HD2  LEU  42          3HD2      LEU  42   1.534  -4.968  -1.969
  295    H    GLY  43           H        GLY  43   4.000  -5.932   2.862
  296   1HA   GLY  43          1HA       GLY  43   4.247  -4.996   5.578
  297   2HA   GLY  43          2HA       GLY  43   4.867  -6.559   5.030
  298    H    THR  44           H        THR  44   6.934  -6.379   3.669
  299    HA   THR  44           HA       THR  44   9.152  -5.748   5.192
  300    HB   THR  44           HB       THR  44   8.916  -5.842   2.167
  301    HG1  THR  44           HG1      THR  44   9.755  -7.776   2.458
  302   1HG2  THR  44          1HG2      THR  44  11.407  -5.944   1.985
  303   2HG2  THR  44          2HG2      THR  44  10.868  -4.339   2.522
  304   3HG2  THR  44          3HG2      THR  44  11.565  -5.482   3.698
  305    H    VAL  45           H        VAL  45   7.704  -3.561   2.767
  306    HA   VAL  45           HA       VAL  45   9.655  -1.414   2.890
  307    HB   VAL  45           HB       VAL  45   7.359  -0.009   2.252
  308   1HG1  VAL  45          1HG1      VAL  45   6.875  -2.807   1.049
  309   2HG1  VAL  45          2HG1      VAL  45   5.955  -2.166   2.416
  310   3HG1  VAL  45          3HG1      VAL  45   5.882  -1.340   0.843
  311   1HG2  VAL  45          1HG2      VAL  45   8.072  -0.136  -0.073
  312   2HG2  VAL  45          2HG2      VAL  45   9.557  -0.207   0.904
  313   3HG2  VAL  45          3HG2      VAL  45   8.912  -1.688   0.182
  314    H    MET  46           H        MET  46   6.680  -2.019   4.744
  315    HA   MET  46           HA       MET  46   6.556   0.508   6.207
  316   1HB   MET  46          1HB       MET  46   5.023  -0.682   7.807
  317   2HB   MET  46          2HB       MET  46   5.428  -2.218   7.063
  318   1HG   MET  46          1HG       MET  46   3.635  -0.016   6.022
  319   2HG   MET  46          2HG       MET  46   4.578  -0.890   4.804
  320   1HE   MET  46          1HE       MET  46   1.417  -1.986   4.158
  321   2HE   MET  46          2HE       MET  46   0.653  -1.945   5.775
  322   3HE   MET  46          3HE       MET  46   1.596  -0.539   5.200
  323    NH1  ARG  47           NH1      ARG  47  12.516  -7.748   7.234
  324    NH2  ARG  47           NH2      ARG  47  10.652  -8.624   8.192
  325    H    ARG  47           H        ARG  47   8.318  -2.488   6.751
  326    HA   ARG  47           HA       ARG  47   9.018  -1.987   9.608
  327   1HB   ARG  47          1HB       ARG  47   8.885  -4.300   8.924
  328   2HB   ARG  47          2HB       ARG  47   9.929  -4.044   7.532
  329   1HG   ARG  47          1HG       ARG  47  11.624  -3.281   9.643
  330   2HG   ARG  47          2HG       ARG  47  10.687  -4.589  10.369
  331   1HD   ARG  47          1HD       ARG  47  11.814  -5.049   7.568
  332   2HD   ARG  47          2HD       ARG  47  12.942  -5.078   8.923
  333    HE   ARG  47           HE       ARG  47  11.046  -6.834   9.893
  334   1HH1  ARG  47          1HH1      ARG  47  12.508  -8.585   6.640
  335   2HH1  ARG  47          2HH1      ARG  47  13.198  -6.982   7.207
  336   1HH2  ARG  47          1HH2      ARG  47   9.928  -8.542   8.914
  337   2HH2  ARG  47          2HH2      ARG  47  10.753  -9.381   7.507
  338    H    MET  48           H        MET  48  10.768  -1.783   6.497
  339    HA   MET  48           HA       MET  48  13.311  -0.819   7.773
  340   1HB   MET  48          1HB       MET  48  12.708  -0.728   4.759
  341   2HB   MET  48          2HB       MET  48  13.097  -2.235   5.567
  342   1HG   MET  48          1HG       MET  48  15.036   0.064   6.017
  343   2HG   MET  48          2HG       MET  48  14.991  -0.665   4.404
  344   1HE   MET  48          1HE       MET  48  17.462  -1.051   4.852
  345   2HE   MET  48          2HE       MET  48  18.065  -2.592   5.530
  346   3HE   MET  48          3HE       MET  48  17.054  -2.604   4.056
  347    H    LEU  49           H        LEU  49  10.375   0.615   7.197
  348    HA   LEU  49           HA       LEU  49  11.344   3.388   6.524
  349   1HB   LEU  49          1HB       LEU  49   8.642   2.134   7.126
  350   2HB   LEU  49          2HB       LEU  49   8.827   3.849   7.426
  351    HG   LEU  49           HG       LEU  49   8.999   2.361   4.757
  352   1HD1  LEU  49          1HD1      LEU  49   7.300   4.052   4.047
  353   2HD1  LEU  49          2HD1      LEU  49   6.750   3.183   5.491
  354   3HD1  LEU  49          3HD1      LEU  49   7.380   4.842   5.642
  355   1HD2  LEU  49          1HD2      LEU  49  10.008   5.248   5.222
  356   2HD2  LEU  49          2HD2      LEU  49  11.003   3.852   4.738
  357   3HD2  LEU  49          3HD2      LEU  49   9.768   4.475   3.635
  358    H    GLY  50           H        GLY  50  10.667   1.363   9.310
  359   1HA   GLY  50          1HA       GLY  50  10.405   3.530  11.305
  360   2HA   GLY  50          2HA       GLY  50  12.072   2.984  11.330
  361    H    GLN  51           H        GLN  51   9.389   0.817  10.603
  362    HA   GLN  51           HA       GLN  51   8.889  -0.041  13.444
  363   1HB   GLN  51          1HB       GLN  51   7.765  -1.430  10.951
  364   2HB   GLN  51          2HB       GLN  51   7.139  -1.444  12.590
  365   1HG   GLN  51          1HG       GLN  51   7.230   1.091  10.849
  366   2HG   GLN  51          2HG       GLN  51   5.851   0.013  10.916
  367   1HE2  GLN  51          1HE2      GLN  51   4.878   2.504  13.422
  368   2HE2  GLN  51          2HE2      GLN  51   4.749   2.012  11.659
  369    H    ASN  52           H        ASN  52   8.594  -2.617  13.515
  370    HA   ASN  52           HA       ASN  52  10.796  -4.173  12.215
  371   1HB   ASN  52          1HB       ASN  52  11.823  -2.916  14.215
  372   2HB   ASN  52          2HB       ASN  52  10.880  -3.939  15.277
  373   1HD2  ASN  52          1HD2      ASN  52  14.390  -5.269  13.640
  374   2HD2  ASN  52          2HD2      ASN  52  13.753  -3.554  13.501
  375    HA   PRO  53           HA       PRO  53   6.791  -6.324  14.128
  376   1HB   PRO  53          1HB       PRO  53   5.223  -6.795  11.901
  377   2HB   PRO  53          2HB       PRO  53   5.233  -5.277  12.813
  378   1HG   PRO  53          1HG       PRO  53   5.737  -4.421  10.682
  379   2HG   PRO  53          2HG       PRO  53   6.665  -5.846  10.160
  380   1HD   PRO  53          1HD       PRO  53   8.513  -4.486  10.815
  381   2HD   PRO  53          2HD       PRO  53   7.501  -3.491  11.907
  382    H    THR  54           H        THR  54   5.697  -8.487  12.876
  383    HA   THR  54           HA       THR  54   8.072 -10.394  12.739
  384    HB   THR  54           HB       THR  54   5.454 -11.698  13.115
  385    HG1  THR  54           HG1      THR  54   5.951 -10.707  15.469
  386   1HG2  THR  54          1HG2      THR  54   6.589 -12.811  15.011
  387   2HG2  THR  54          2HG2      THR  54   7.636 -12.859  13.574
  388   3HG2  THR  54          3HG2      THR  54   7.977 -11.704  14.887
  389    H    LYS  55           H        LYS  55   7.549 -12.436  11.454
  390    HA   LYS  55           HA       LYS  55   6.889 -11.620   8.618
  391   1HB   LYS  55          1HB       LYS  55   7.868 -14.376   9.551
  392   2HB   LYS  55          2HB       LYS  55   8.970 -13.034   9.326
  393   1HG   LYS  55          1HG       LYS  55   8.779 -14.696   7.391
  394   2HG   LYS  55          2HG       LYS  55   7.139 -14.144   7.111
  395   1HD   LYS  55          1HD       LYS  55   8.325 -11.706   6.913
  396   2HD   LYS  55          2HD       LYS  55   9.765 -12.675   6.641
  397   1HE   LYS  55          1HE       LYS  55   7.236 -12.609   4.906
  398   2HE   LYS  55          2HE       LYS  55   8.879 -12.167   4.438
  399   1HZ   LYS  55          1HZ       LYS  55   8.567 -14.914   5.362
  400   2HZ   LYS  55          2HZ       LYS  55   7.766 -14.556   3.963
  401   3HZ   LYS  55          3HZ       LYS  55   9.399 -14.327   4.062
  402    H    GLU  56           H        GLU  56   5.746 -13.726  11.208
  403    HA   GLU  56           HA       GLU  56   3.713 -15.248   9.694
  404   1HB   GLU  56          1HB       GLU  56   4.481 -14.964  12.565
  405   2HB   GLU  56          2HB       GLU  56   2.777 -15.281  12.310
  406   1HG   GLU  56          1HG       GLU  56   4.752 -17.056  10.812
  407   2HG   GLU  56          2HG       GLU  56   4.649 -17.253  12.553
  408    H    GLU  57           H        GLU  57   3.817 -12.172  11.396
  409    HA   GLU  57           HA       GLU  57   0.906 -11.647  11.479
  410   1HB   GLU  57          1HB       GLU  57   3.235  -9.672  11.743
  411   2HB   GLU  57          2HB       GLU  57   1.552  -9.265  12.007
  412   1HG   GLU  57          1HG       GLU  57   3.242 -11.240  13.669
  413   2HG   GLU  57          2HG       GLU  57   1.507 -11.072  13.877
  414    H    LEU  58           H        LEU  58   3.524 -10.999   9.212
  415    HA   LEU  58           HA       LEU  58   2.119  -9.200   7.365
  416   1HB   LEU  58          1HB       LEU  58   4.617  -9.517   7.410
  417   2HB   LEU  58          2HB       LEU  58   4.433 -11.138   6.775
  418    HG   LEU  58           HG       LEU  58   5.102  -9.225   5.130
  419   1HD1  LEU  58          1HD1      LEU  58   2.070  -8.661   5.095
  420   2HD1  LEU  58          2HD1      LEU  58   3.248  -7.615   5.900
  421   3HD1  LEU  58          3HD1      LEU  58   3.333  -7.847   4.136
  422   1HD2  LEU  58          1HD2      LEU  58   3.967 -10.299   3.216
  423   2HD2  LEU  58          2HD2      LEU  58   4.374 -11.564   4.402
  424   3HD2  LEU  58          3HD2      LEU  58   2.706 -10.975   4.278
  425    H    ASP  59           H        ASP  59   2.337 -12.698   7.719
  426    HA   ASP  59           HA       ASP  59   0.962 -13.531   5.281
  427   1HB   ASP  59          1HB       ASP  59   1.277 -14.960   7.974
  428   2HB   ASP  59          2HB       ASP  59   0.374 -15.662   6.651
  429    H    ALA  60           H        ALA  60  -0.188 -12.642   8.520
  430    HA   ALA  60           HA       ALA  60  -3.027 -13.331   8.248
  431   1HB   ALA  60          1HB       ALA  60  -3.383 -11.804  10.182
  432   2HB   ALA  60          2HB       ALA  60  -1.999 -12.881  10.454
  433   3HB   ALA  60          3HB       ALA  60  -1.726 -11.171  10.029
  434    H    ILE  61           H        ILE  61  -1.270 -10.239   7.809
  435    HA   ILE  61           HA       ILE  61  -3.334  -8.492   7.008
  436    HB   ILE  61           HB       ILE  61  -0.393  -8.542   6.444
  437   1HG1  ILE  61          1HG1      ILE  61  -2.383  -6.678   7.807
  438   2HG1  ILE  61          2HG1      ILE  61  -0.959  -5.941   7.104
  439   1HG2  ILE  61          1HG2      ILE  61  -0.465  -6.596   4.862
  440   2HG2  ILE  61          2HG2      ILE  61  -1.244  -8.007   4.149
  441   3HG2  ILE  61          3HG2      ILE  61  -2.242  -6.688   4.802
  442   1HD1  ILE  61          1HD1      ILE  61   0.581  -7.291   8.501
  443   2HD1  ILE  61          2HD1      ILE  61  -0.616  -6.453   9.512
  444   3HD1  ILE  61          3HD1      ILE  61  -0.798  -8.193   9.189
  445    H    ILE  62           H        ILE  62  -1.681 -11.036   5.225
  446    HA   ILE  62           HA       ILE  62  -2.526 -10.437   2.497
  447    HB   ILE  62           HB       ILE  62  -0.884 -12.355   3.602
  448   1HG1  ILE  62          1HG1      ILE  62  -1.948 -12.707   0.736
  449   2HG1  ILE  62          2HG1      ILE  62  -1.012 -11.291   1.165
  450   1HG2  ILE  62          1HG2      ILE  62  -1.739 -14.627   2.972
  451   2HG2  ILE  62          2HG2      ILE  62  -2.777 -13.898   4.195
  452   3HG2  ILE  62          3HG2      ILE  62  -3.307 -13.927   2.498
  453   1HD1  ILE  62          1HD1      ILE  62   0.040 -14.175   1.350
  454   2HD1  ILE  62          2HD1      ILE  62   0.497 -12.920   0.179
  455   3HD1  ILE  62          3HD1      ILE  62   0.933 -12.727   1.892
  456    H    GLU  63           H        GLU  63  -3.947 -12.558   4.994
  457    HA   GLU  63           HA       GLU  63  -6.192 -13.627   3.609
  458   1HB   GLU  63          1HB       GLU  63  -5.480 -13.267   6.448
  459   2HB   GLU  63          2HB       GLU  63  -7.212 -13.149   6.208
  460   1HG   GLU  63          1HG       GLU  63  -5.527 -15.519   5.173
  461   2HG   GLU  63          2HG       GLU  63  -7.278 -15.405   5.146
  462    H    GLU  64           H        GLU  64  -5.957 -10.521   5.341
  463    HA   GLU  64           HA       GLU  64  -8.782  -9.723   4.948
  464   1HB   GLU  64          1HB       GLU  64  -6.748  -8.857   6.618
  465   2HB   GLU  64          2HB       GLU  64  -6.813  -7.534   5.470
  466   1HG   GLU  64          1HG       GLU  64  -8.378  -7.695   7.731
  467   2HG   GLU  64          2HG       GLU  64  -9.481  -8.451   6.593
  468    H    VAL  65           H        VAL  65  -5.771  -9.265   3.198
  469    HA   VAL  65           HA       VAL  65  -6.609  -7.021   1.469
  470    HB   VAL  65           HB       VAL  65  -4.276  -8.978   1.228
  471   1HG1  VAL  65          1HG1      VAL  65  -3.359  -7.562  -0.619
  472   2HG1  VAL  65          2HG1      VAL  65  -4.904  -8.293  -1.093
  473   3HG1  VAL  65          3HG1      VAL  65  -4.841  -6.574  -0.636
  474   1HG2  VAL  65          1HG2      VAL  65  -4.318  -5.968   1.960
  475   2HG2  VAL  65          2HG2      VAL  65  -4.012  -7.319   3.078
  476   3HG2  VAL  65          3HG2      VAL  65  -2.861  -6.976   1.779
  477    H    ASP  66           H        ASP  66  -5.675 -10.270   0.309
  478    HA   ASP  66           HA       ASP  66  -7.755 -10.056  -1.897
  479   1HB   ASP  66          1HB       ASP  66  -5.418 -10.505  -2.610
  480   2HB   ASP  66          2HB       ASP  66  -5.360 -11.958  -1.639
  481    H    GLU  67           H        GLU  67  -9.243 -10.378   0.027
  482    HA   GLU  67           HA       GLU  67  -9.790 -12.926   1.298
  483   1HB   GLU  67          1HB       GLU  67 -11.501 -10.554   0.600
  484   2HB   GLU  67          2HB       GLU  67 -12.351 -12.059   0.889
  485   1HG   GLU  67          1HG       GLU  67 -11.441 -12.230   3.182
  486   2HG   GLU  67          2HG       GLU  67 -10.322 -10.906   2.903
  487    H    ASP  68           H        ASP  68 -11.048 -11.637  -1.792
  488    HA   ASP  68           HA       ASP  68 -10.780 -14.286  -3.175
  489   1HB   ASP  68          1HB       ASP  68 -13.523 -13.296  -2.316
  490   2HB   ASP  68          2HB       ASP  68 -12.843 -14.905  -2.239
  491    H    GLY  69           H        GLY  69  -9.807 -13.623  -4.934
  492   1HA   GLY  69          1HA       GLY  69 -10.761 -12.214  -7.167
  493   2HA   GLY  69          2HA       GLY  69 -10.255 -10.880  -6.125
  494    H    SER  70           H        SER  70  -8.493 -10.129  -7.057
  495    HA   SER  70           HA       SER  70  -6.161 -12.001  -7.744
  496   1HB   SER  70          1HB       SER  70  -6.950  -9.285  -8.909
  497   2HB   SER  70          2HB       SER  70  -6.827 -10.842  -9.733
  498    HG   SER  70           HG       SER  70  -5.044  -9.334  -9.963
  499    H    GLY  71           H        GLY  71  -4.117 -11.478  -6.992
  500   1HA   GLY  71          1HA       GLY  71  -2.799 -11.029  -4.917
  501   2HA   GLY  71          2HA       GLY  71  -4.022  -9.850  -4.432
  502    H    THR  72           H        THR  72  -4.045  -7.790  -5.343
  503    HA   THR  72           HA       THR  72  -1.357  -6.779  -6.257
  504    HB   THR  72           HB       THR  72  -1.888  -5.810  -8.255
  505    HG1  THR  72           HG1      THR  72  -3.827  -5.127  -8.834
  506   1HG2  THR  72          1HG2      THR  72  -3.618  -7.370  -9.582
  507   2HG2  THR  72          2HG2      THR  72  -2.008  -7.979  -9.140
  508   3HG2  THR  72          3HG2      THR  72  -3.434  -8.437  -8.172
  509    H    ILE  73           H        ILE  73  -1.130  -4.496  -5.979
  510    HA   ILE  73           HA       ILE  73  -3.218  -3.006  -4.462
  511    HB   ILE  73           HB       ILE  73  -1.785  -4.494  -2.806
  512   1HG1  ILE  73          1HG1      ILE  73  -2.497  -1.600  -2.058
  513   2HG1  ILE  73          2HG1      ILE  73  -3.686  -2.861  -2.328
  514   1HG2  ILE  73          1HG2      ILE  73   0.113  -3.376  -1.695
  515   2HG2  ILE  73          2HG2      ILE  73   0.493  -3.578  -3.411
  516   3HG2  ILE  73          3HG2      ILE  73   0.008  -1.981  -2.793
  517   1HD1  ILE  73          1HD1      ILE  73  -2.843  -2.349   0.161
  518   2HD1  ILE  73          2HD1      ILE  73  -3.208  -4.011  -0.348
  519   3HD1  ILE  73          3HD1      ILE  73  -1.517  -3.461  -0.276
  520    H    ASP  74           H        ASP  74  -2.907  -0.795  -4.488
  521    HA   ASP  74           HA       ASP  74  -0.783   0.206  -6.451
  522   1HB   ASP  74          1HB       ASP  74  -2.528   2.228  -6.610
  523   2HB   ASP  74          2HB       ASP  74  -2.662   0.787  -7.591
  524    H    PHE  75           H        PHE  75  -0.827   2.844  -6.042
  525    HA   PHE  75           HA       PHE  75   0.730   3.172  -3.532
  526   1HB   PHE  75          1HB       PHE  75   1.450   4.261  -5.636
  527   2HB   PHE  75          2HB       PHE  75  -0.021   5.194  -5.726
  528    HD1  PHE  75           HD1      PHE  75   1.855   4.605  -2.503
  529    HD2  PHE  75           HD2      PHE  75   1.007   7.404  -5.659
  530    HE1  PHE  75           HE1      PHE  75   3.027   6.376  -1.261
  531    HE2  PHE  75           HE2      PHE  75   2.204   9.157  -4.410
  532    HZ   PHE  75           HZ       PHE  75   3.193   8.655  -2.204
  533    H    GLU  76           H        GLU  76  -2.465   4.042  -4.729
  534    HA   GLU  76           HA       GLU  76  -3.277   5.905  -2.612
  535   1HB   GLU  76          1HB       GLU  76  -5.243   4.167  -4.169
  536   2HB   GLU  76          2HB       GLU  76  -5.522   5.731  -3.431
  537   1HG   GLU  76          1HG       GLU  76  -4.023   5.090  -6.022
  538   2HG   GLU  76          2HG       GLU  76  -3.659   6.586  -5.178
  539    H    GLU  77           H        GLU  77  -3.907   2.431  -3.126
  540    HA   GLU  77           HA       GLU  77  -5.278   1.859  -0.589
  541   1HB   GLU  77          1HB       GLU  77  -4.366  -0.576  -1.052
  542   2HB   GLU  77          2HB       GLU  77  -3.835   0.075  -2.590
  543   1HG   GLU  77          1HG       GLU  77  -6.340   0.881  -2.907
  544   2HG   GLU  77          2HG       GLU  77  -5.940  -0.812  -3.145
  545    H    PHE  78           H        PHE  78  -1.906   2.051  -1.584
  546    HA   PHE  78           HA       PHE  78  -0.596   0.732   0.632
  547   1HB   PHE  78          1HB       PHE  78   0.676   1.236  -1.364
  548   2HB   PHE  78          2HB       PHE  78   0.381   2.951  -1.246
  549    HD1  PHE  78           HD1      PHE  78   2.214   4.246  -0.464
  550    HD2  PHE  78           HD2      PHE  78   1.861   0.192   0.933
  551    HE1  PHE  78           HE1      PHE  78   4.341   4.469   0.754
  552    HE2  PHE  78           HE2      PHE  78   3.985   0.437   2.151
  553    HZ   PHE  78           HZ       PHE  78   5.244   2.560   2.039
  554    H    LEU  79           H        LEU  79  -1.771   4.042   0.213
  555    HA   LEU  79           HA       LEU  79  -0.732   5.154   2.763
  556   1HB   LEU  79          1HB       LEU  79  -3.096   6.217   1.112
  557   2HB   LEU  79          2HB       LEU  79  -2.191   7.090   2.330
  558    HG   LEU  79           HG       LEU  79  -0.695   6.024  -0.113
  559   1HD1  LEU  79          1HD1      LEU  79  -0.304   8.610   1.523
  560   2HD1  LEU  79          2HD1      LEU  79   0.562   7.094   1.833
  561   3HD1  LEU  79          3HD1      LEU  79   0.797   7.948   0.287
  562   1HD2  LEU  79          1HD2      LEU  79  -1.250   8.002  -1.460
  563   2HD2  LEU  79          2HD2      LEU  79  -2.789   7.254  -0.968
  564   3HD2  LEU  79          3HD2      LEU  79  -2.215   8.709  -0.140
  565    H    VAL  80           H        VAL  80  -3.673   3.541   1.682
  566    HA   VAL  80           HA       VAL  80  -5.416   4.094   3.948
  567    HB   VAL  80           HB       VAL  80  -5.458   2.039   1.746
  568   1HG1  VAL  80          1HG1      VAL  80  -7.700   3.903   2.746
  569   2HG1  VAL  80          2HG1      VAL  80  -6.497   4.398   1.548
  570   3HG1  VAL  80          3HG1      VAL  80  -7.599   3.051   1.184
  571   1HG2  VAL  80          1HG2      VAL  80  -7.408   0.830   2.609
  572   2HG2  VAL  80          2HG2      VAL  80  -6.126   0.689   3.834
  573   3HG2  VAL  80          3HG2      VAL  80  -7.459   1.825   4.084
  574    H    MET  81           H        MET  81  -2.943   1.656   3.331
  575    HA   MET  81           HA       MET  81  -3.493  -0.076   5.668
  576   1HB   MET  81          1HB       MET  81  -1.362  -1.211   5.138
  577   2HB   MET  81          2HB       MET  81  -0.884   0.088   4.060
  578   1HG   MET  81          1HG       MET  81  -3.171  -0.542   2.756
  579   2HG   MET  81          2HG       MET  81  -1.669  -1.442   2.490
  580   1HE   MET  81          1HE       MET  81  -5.432  -1.760   3.459
  581   2HE   MET  81          2HE       MET  81  -4.717  -2.384   1.943
  582   3HE   MET  81          3HE       MET  81  -5.406  -3.522   3.137
  583    H    MET  82           H        MET  82  -1.378   2.665   4.983
  584    HA   MET  82           HA       MET  82   0.383   2.524   7.310
  585   1HB   MET  82          1HB       MET  82  -0.201   4.562   5.201
  586   2HB   MET  82          2HB       MET  82   0.278   5.257   6.738
  587   1HG   MET  82          1HG       MET  82   2.446   4.174   6.713
  588   2HG   MET  82          2HG       MET  82   2.189   4.815   5.083
  589   1HE   MET  82          1HE       MET  82   4.167   2.120   6.237
  590   2HE   MET  82          2HE       MET  82   4.143   1.326   4.635
  591   3HE   MET  82          3HE       MET  82   4.334   3.100   4.747
  592    H    VAL  83           H        VAL  83  -2.421   4.665   6.692
  593    HA   VAL  83           HA       VAL  83  -2.676   5.729   9.399
  594    HB   VAL  83           HB       VAL  83  -4.591   5.664   7.041
  595   1HG1  VAL  83          1HG1      VAL  83  -3.414   8.080   8.552
  596   2HG1  VAL  83          2HG1      VAL  83  -2.632   7.342   7.147
  597   3HG1  VAL  83          3HG1      VAL  83  -4.244   8.075   6.974
  598   1HG2  VAL  83          1HG2      VAL  83  -6.305   6.938   8.225
  599   2HG2  VAL  83          2HG2      VAL  83  -6.013   5.474   9.192
  600   3HG2  VAL  83          3HG2      VAL  83  -5.327   7.019   9.713
  601    NH1  ARG  84           NH1      ARG  84  -8.950  -0.932   8.152
  602    NH2  ARG  84           NH2      ARG  84  -9.120  -0.714   5.897
  603    H    ARG  84           H        ARG  84  -3.955   2.874   7.767
  604    HA   ARG  84           HA       ARG  84  -5.962   1.937   9.683
  605   1HB   ARG  84          1HB       ARG  84  -5.892   0.875   7.514
  606   2HB   ARG  84          2HB       ARG  84  -4.191   0.462   7.674
  607   1HG   ARG  84          1HG       ARG  84  -4.584  -1.312   9.225
  608   2HG   ARG  84          2HG       ARG  84  -6.190  -0.724   9.662
  609   1HD   ARG  84          1HD       ARG  84  -5.339  -2.268   7.172
  610   2HD   ARG  84          2HD       ARG  84  -6.704  -2.564   8.245
  611    HE   ARG  84           HE       ARG  84  -6.645  -0.536   5.997
  612   1HH1  ARG  84          1HH1      ARG  84  -9.967  -0.792   8.163
  613   2HH1  ARG  84          2HH1      ARG  84  -8.343  -1.088   8.964
  614   1HH2  ARG  84          1HH2      ARG  84  -8.636  -0.632   4.996
  615   2HH2  ARG  84          2HH2      ARG  84 -10.131  -0.660   6.059
  616    H    GLN  85           H        GLN  85  -2.437   1.696   9.559
  617    HA   GLN  85           HA       GLN  85  -2.175  -0.338  11.742
  618   1HB   GLN  85          1HB       GLN  85  -0.494   0.485   9.682
  619   2HB   GLN  85          2HB       GLN  85   0.220   1.322  11.050
  620   1HG   GLN  85          1HG       GLN  85   1.401  -0.730  10.947
  621   2HG   GLN  85          2HG       GLN  85   0.315  -0.931  12.305
  622   1HE2  GLN  85          1HE2      GLN  85  -1.507  -3.642  10.748
  623   2HE2  GLN  85          2HE2      GLN  85  -1.374  -2.472  12.156
  624    H    MET  86           H        MET  86  -1.772   3.170  11.370
  625    HA   MET  86           HA       MET  86  -0.600   3.782  13.983
  626   1HB   MET  86          1HB       MET  86  -1.862   5.406  11.782
  627   2HB   MET  86          2HB       MET  86  -1.914   6.130  13.379
  628   1HG   MET  86          1HG       MET  86   0.320   6.044  11.537
  629   2HG   MET  86          2HG       MET  86   0.797   5.115  12.967
  630   1HE   MET  86          1HE       MET  86   0.923   9.053  11.839
  631   2HE   MET  86          2HE       MET  86  -0.601   8.207  11.442
  632   3HE   MET  86          3HE       MET  86  -0.593   9.490  12.687
  633    H    LYS  87           H        LYS  87  -3.905   3.417  12.819
  634    HA   LYS  87           HA       LYS  87  -5.335   4.443  15.207
  635   1HB   LYS  87          1HB       LYS  87  -6.110   2.982  12.697
  636   2HB   LYS  87          2HB       LYS  87  -7.133   2.636  14.076
  637   1HG   LYS  87          1HG       LYS  87  -7.698   4.619  12.400
  638   2HG   LYS  87          2HG       LYS  87  -6.511   5.536  13.306
  639   1HD   LYS  87          1HD       LYS  87  -8.699   6.079  14.230
  640   2HD   LYS  87          2HD       LYS  87  -9.169   4.388  14.291
  641   1HE   LYS  87          1HE       LYS  87  -7.731   3.900  16.187
  642   2HE   LYS  87          2HE       LYS  87  -6.857   5.426  16.039
  643   1HZ   LYS  87          1HZ       LYS  87  -8.887   5.056  17.711
  644   2HZ   LYS  87          2HZ       LYS  87  -8.524   6.542  17.086
  645   3HZ   LYS  87          3HZ       LYS  87  -9.748   5.647  16.431
  646    H    GLU  88           H        GLU  88  -4.404   1.200  14.030
  647    HA   GLU  88           HA       GLU  88  -4.108  -0.908  15.140
  648   1HB   GLU  88          1HB       GLU  88  -2.397   0.560  16.353
  649   2HB   GLU  88          2HB       GLU  88  -3.564   0.765  17.645
  650   1HG   GLU  88          1HG       GLU  88  -3.509  -2.028  17.438
  651   2HG   GLU  88          2HG       GLU  88  -1.871  -1.626  16.951
  652    H    ASP  89           H        ASP  89  -6.291  -1.396  14.795
  653    HA   ASP  89           HA       ASP  89  -8.002  -1.483  17.324
  654   1HB   ASP  89          1HB       ASP  89  -9.314  -1.017  14.598
  655   2HB   ASP  89          2HB       ASP  89  -8.793   0.318  15.601
  656    H    ALA  90           H        ALA  90  -7.283  -3.555  17.651
  657    HA   ALA  90           HA       ALA  90  -8.130  -5.713  15.635
  658   1HB   ALA  90          1HB       ALA  90  -6.284  -6.390  17.965
  659   2HB   ALA  90          2HB       ALA  90  -6.368  -7.108  16.344
  660   3HB   ALA  90          3HB       ALA  90  -5.585  -5.525  16.574
   
  Start of MODEL          26
 Raw file had  660 H/Q atoms
  Start of MODEL   26
    1   1H    ALA   1          1H        ALA   1 -18.733   0.447  10.043
    2   2H    ALA   1          2H        ALA   1 -19.450   1.910  10.462
    3   3H    ALA   1          3H        ALA   1 -19.891   0.497  11.262
    4    HA   ALA   1           HA       ALA   1 -21.088  -0.345   9.548
    5   1HB   ALA   1          1HB       ALA   1 -22.612   1.264  10.185
    6   2HB   ALA   1          2HB       ALA   1 -21.453   2.600  10.054
    7   3HB   ALA   1          3HB       ALA   1 -22.270   1.985   8.594
    8    H    SER   2           H        SER   2 -19.854  -1.261   7.964
    9    HA   SER   2           HA       SER   2 -19.086  -1.620   5.709
   10   1HB   SER   2          1HB       SER   2 -20.856   0.738   5.512
   11   2HB   SER   2          2HB       SER   2 -19.576   0.771   4.296
   12    HG   SER   2           HG       SER   2 -21.348  -0.400   3.599
   13    H    MET   3           H        MET   3 -18.576   1.850   5.510
   14    HA   MET   3           HA       MET   3 -16.579   3.187   5.236
   15   1HB   MET   3          1HB       MET   3 -15.835   1.402   7.618
   16   2HB   MET   3          2HB       MET   3 -16.594   2.986   7.658
   17   1HG   MET   3          1HG       MET   3 -14.363   3.878   6.532
   18   2HG   MET   3          2HG       MET   3 -13.667   2.328   7.038
   19   1HE   MET   3          1HE       MET   3 -14.650   1.399   9.709
   20   2HE   MET   3          2HE       MET   3 -12.914   1.738   9.442
   21   3HE   MET   3          3HE       MET   3 -13.728   2.363  10.905
   22    H    THR   4           H        THR   4 -16.914   0.736   3.648
   23    HA   THR   4           HA       THR   4 -14.114  -0.244   3.113
   24    HB   THR   4           HB       THR   4 -16.277  -0.850   1.125
   25    HG1  THR   4           HG1      THR   4 -16.250  -2.331   3.478
   26   1HG2  THR   4          1HG2      THR   4 -15.366  -3.141   1.201
   27   2HG2  THR   4          2HG2      THR   4 -14.036  -1.998   0.912
   28   3HG2  THR   4          3HG2      THR   4 -14.256  -2.725   2.524
   29    H    ASP   5           H        ASP   5 -15.228   2.665   2.770
   30    HA   ASP   5           HA       ASP   5 -13.888   3.174   0.098
   31   1HB   ASP   5          1HB       ASP   5 -16.744   4.147   0.673
   32   2HB   ASP   5          2HB       ASP   5 -15.730   4.810  -0.589
   33    H    GLN   6           H        GLN   6 -13.561   3.674   3.122
   34    HA   GLN   6           HA       GLN   6 -13.234   6.689   3.248
   35   1HB   GLN   6          1HB       GLN   6 -13.121   4.434   5.230
   36   2HB   GLN   6          2HB       GLN   6 -11.943   5.705   5.504
   37   1HG   GLN   6          1HG       GLN   6 -13.966   7.391   5.280
   38   2HG   GLN   6          2HG       GLN   6 -13.703   6.522   6.777
   39   1HE2  GLN   6          1HE2      GLN   6 -16.966   5.084   6.671
   40   2HE2  GLN   6          2HE2      GLN   6 -15.570   5.792   7.627
   41    H    GLN   7           H        GLN   7 -11.877   5.654   1.119
   42    HA   GLN   7           HA       GLN   7  -9.052   4.842   1.706
   43   1HB   GLN   7          1HB       GLN   7  -9.652   5.887  -1.036
   44   2HB   GLN   7          2HB       GLN   7  -8.813   4.433  -0.522
   45   1HG   GLN   7          1HG       GLN   7 -11.115   3.411   0.076
   46   2HG   GLN   7          2HG       GLN   7 -11.865   4.802  -0.679
   47   1HE2  GLN   7          1HE2      GLN   7 -11.294   1.845  -3.140
   48   2HE2  GLN   7          2HE2      GLN   7 -11.830   1.881  -1.386
   49    H    ALA   8           H        ALA   8 -10.852   7.773   0.892
   50    HA   ALA   8           HA       ALA   8  -8.508   9.543   0.467
   51   1HB   ALA   8          1HB       ALA   8 -10.295  10.464  -0.635
   52   2HB   ALA   8          2HB       ALA   8 -11.499   9.866   0.522
   53   3HB   ALA   8          3HB       ALA   8 -10.551  11.326   0.900
   54    H    GLU   9           H        GLU   9 -10.534   8.613   3.187
   55    HA   GLU   9           HA       GLU   9 -10.094  10.732   5.077
   56   1HB   GLU   9          1HB       GLU   9 -11.594   8.532   5.214
   57   2HB   GLU   9          2HB       GLU   9 -10.225   7.871   6.086
   58   1HG   GLU   9          1HG       GLU   9 -10.447  10.089   7.592
   59   2HG   GLU   9          2HG       GLU   9 -11.467   8.689   7.876
   60    H    ALA  10           H        ALA  10  -8.078   7.959   4.219
   61    HA   ALA  10           HA       ALA  10  -6.168   7.936   6.391
   62   1HB   ALA  10          1HB       ALA  10  -4.665   6.693   4.842
   63   2HB   ALA  10          2HB       ALA  10  -6.331   6.092   4.746
   64   3HB   ALA  10          3HB       ALA  10  -5.685   7.131   3.450
   65    NH1  ARG  11           NH1      ARG  11  -4.991  13.641  -2.491
   66    NH2  ARG  11           NH2      ARG  11  -3.256  12.178  -2.424
   67    H    ARG  11           H        ARG  11  -6.081   9.647   3.260
   68    HA   ARG  11           HA       ARG  11  -3.398  10.897   3.637
   69   1HB   ARG  11          1HB       ARG  11  -3.842  12.117   1.561
   70   2HB   ARG  11          2HB       ARG  11  -4.250  10.417   1.380
   71   1HG   ARG  11          1HG       ARG  11  -6.565  10.785   1.222
   72   2HG   ARG  11          2HG       ARG  11  -6.522  12.286   2.148
   73   1HD   ARG  11          1HD       ARG  11  -5.609  13.562   0.278
   74   2HD   ARG  11          2HD       ARG  11  -6.967  12.628  -0.347
   75    HE   ARG  11           HE       ARG  11  -4.881  10.898  -0.952
   76   1HH1  ARG  11          1HH1      ARG  11  -2.824  12.779  -3.135
   77   2HH1  ARG  11          2HH1      ARG  11  -2.876  11.304  -2.044
   78   1HH2  ARG  11          1HH2      ARG  11  -5.843  13.995  -2.041
   79   2HH2  ARG  11          2HH2      ARG  11  -4.534  14.023  -3.327
   80    H    ALA  12           H        ALA  12  -6.764  11.805   4.162
   81    HA   ALA  12           HA       ALA  12  -6.653  14.625   4.619
   82   1HB   ALA  12          1HB       ALA  12  -8.622  14.363   6.115
   83   2HB   ALA  12          2HB       ALA  12  -8.784  13.363   4.658
   84   3HB   ALA  12          3HB       ALA  12  -8.355  12.606   6.212
   85    H    PHE  13           H        PHE  13  -5.599  11.969   6.690
   86    HA   PHE  13           HA       PHE  13  -5.163  13.567   9.155
   87   1HB   PHE  13          1HB       PHE  13  -5.645  11.090   9.160
   88   2HB   PHE  13          2HB       PHE  13  -4.093  10.770   8.433
   89    HD1  PHE  13           HD1      PHE  13  -3.965  13.570  10.788
   90    HD2  PHE  13           HD2      PHE  13  -3.852   9.273  10.561
   91    HE1  PHE  13           HE1      PHE  13  -2.929  13.467  13.018
   92    HE2  PHE  13           HE2      PHE  13  -2.838   9.191  12.799
   93    HZ   PHE  13           HZ       PHE  13  -2.340  11.283  14.016
   94    H    LEU  14           H        LEU  14  -2.991  12.017   6.771
   95    HA   LEU  14           HA       LEU  14  -0.518  13.333   7.793
   96   1HB   LEU  14          1HB       LEU  14  -0.212  11.156   6.848
   97   2HB   LEU  14          2HB       LEU  14   0.594  12.294   5.791
   98    HG   LEU  14           HG       LEU  14  -2.250  11.471   5.066
   99   1HD1  LEU  14          1HD1      LEU  14   0.180   9.672   4.454
  100   2HD1  LEU  14          2HD1      LEU  14  -1.042   9.310   5.686
  101   3HD1  LEU  14          3HD1      LEU  14  -1.511   9.388   3.969
  102   1HD2  LEU  14          1HD2      LEU  14  -1.481  11.791   2.752
  103   2HD2  LEU  14          2HD2      LEU  14  -0.928  13.198   3.693
  104   3HD2  LEU  14          3HD2      LEU  14   0.219  11.918   3.270
  105    H    SER  15           H        SER  15   0.883  14.474   6.081
  106    HA   SER  15           HA       SER  15  -0.707  16.785   4.895
  107   1HB   SER  15          1HB       SER  15   1.810  17.719   4.723
  108   2HB   SER  15          2HB       SER  15   0.861  17.813   6.209
  109    HG   SER  15           HG       SER  15   2.477  15.571   5.613
  110    H    GLU  16           H        GLU  16   0.149  17.701   2.853
  111    HA   GLU  16           HA       GLU  16   0.170  15.737   0.657
  112   1HB   GLU  16          1HB       GLU  16   0.923  17.939  -0.682
  113   2HB   GLU  16          2HB       GLU  16   0.448  18.751   0.796
  114   1HG   GLU  16          1HG       GLU  16  -1.556  18.855  -0.403
  115   2HG   GLU  16          2HG       GLU  16  -1.842  17.397   0.531
  116    H    GLU  17           H        GLU  17   2.617  17.528   2.420
  117    HA   GLU  17           HA       GLU  17   4.878  17.024   0.545
  118   1HB   GLU  17          1HB       GLU  17   4.667  18.946   2.308
  119   2HB   GLU  17          2HB       GLU  17   5.265  17.781   3.474
  120   1HG   GLU  17          1HG       GLU  17   7.281  17.443   1.737
  121   2HG   GLU  17          2HG       GLU  17   7.269  18.798   2.853
  122    H    MET  18           H        MET  18   3.533  15.489   3.416
  123    HA   MET  18           HA       MET  18   5.618  13.496   3.963
  124   1HB   MET  18          1HB       MET  18   3.755  14.055   5.568
  125   2HB   MET  18          2HB       MET  18   2.604  13.260   4.510
  126   1HG   MET  18          1HG       MET  18   3.491  11.060   4.962
  127   2HG   MET  18          2HG       MET  18   5.014  11.701   5.598
  128   1HE   MET  18          1HE       MET  18   5.056  13.250   8.113
  129   2HE   MET  18          2HE       MET  18   4.503  11.997   9.264
  130   3HE   MET  18          3HE       MET  18   5.535  11.539   7.878
  131    H    ILE  19           H        ILE  19   2.879  13.655   1.749
  132    HA   ILE  19           HA       ILE  19   2.771  10.867   0.867
  133    HB   ILE  19           HB       ILE  19   1.976  13.337  -0.760
  134   1HG1  ILE  19          1HG1      ILE  19   0.598  11.934   1.526
  135   2HG1  ILE  19          2HG1      ILE  19   0.451  13.588   0.972
  136   1HG2  ILE  19          1HG2      ILE  19   0.529  11.779  -2.083
  137   2HG2  ILE  19          2HG2      ILE  19   2.219  11.291  -2.202
  138   3HG2  ILE  19          3HG2      ILE  19   1.117  10.391  -1.136
  139   1HD1  ILE  19          1HD1      ILE  19  -0.986  11.200  -0.327
  140   2HD1  ILE  19          2HD1      ILE  19  -1.698  12.496   0.658
  141   3HD1  ILE  19          3HD1      ILE  19  -1.028  12.873  -0.947
  142    H    ALA  20           H        ALA  20   4.601  13.705  -0.245
  143    HA   ALA  20           HA       ALA  20   5.808  12.618  -2.650
  144   1HB   ALA  20          1HB       ALA  20   7.008  14.587  -2.754
  145   2HB   ALA  20          2HB       ALA  20   5.787  15.091  -1.570
  146   3HB   ALA  20          3HB       ALA  20   7.414  14.612  -1.022
  147    H    GLU  21           H        GLU  21   6.686  12.390   0.759
  148    HA   GLU  21           HA       GLU  21   9.417  11.303   0.394
  149   1HB   GLU  21          1HB       GLU  21   7.638  11.896   2.719
  150   2HB   GLU  21          2HB       GLU  21   9.323  12.291   2.444
  151   1HG   GLU  21          1HG       GLU  21  10.014   9.961   3.079
  152   2HG   GLU  21          2HG       GLU  21   8.333   9.479   3.243
  153    H    PHE  22           H        PHE  22   6.185   9.973   0.807
  154    HA   PHE  22           HA       PHE  22   6.882   7.165   1.324
  155   1HB   PHE  22          1HB       PHE  22   4.325   8.450   0.216
  156   2HB   PHE  22          2HB       PHE  22   4.470   6.723   0.414
  157    HD1  PHE  22           HD1      PHE  22   2.666   8.995   1.865
  158    HD2  PHE  22           HD2      PHE  22   6.137   6.752   3.069
  159    HE1  PHE  22           HE1      PHE  22   1.992   9.196   4.221
  160    HE2  PHE  22           HE2      PHE  22   5.447   6.968   5.421
  161    HZ   PHE  22           HZ       PHE  22   3.397   8.218   6.004
  162    H    LYS  23           H        LYS  23   6.087   8.998  -1.623
  163    HA   LYS  23           HA       LYS  23   6.156   7.031  -3.675
  164   1HB   LYS  23          1HB       LYS  23   7.106   8.832  -5.216
  165   2HB   LYS  23          2HB       LYS  23   7.328   9.876  -3.828
  166   1HG   LYS  23          1HG       LYS  23   4.692   8.871  -5.029
  167   2HG   LYS  23          2HG       LYS  23   4.736   9.559  -3.418
  168   1HD   LYS  23          1HD       LYS  23   5.728  11.717  -4.412
  169   2HD   LYS  23          2HD       LYS  23   5.590  10.988  -6.003
  170   1HE   LYS  23          1HE       LYS  23   3.065  11.135  -4.301
  171   2HE   LYS  23          2HE       LYS  23   3.648  12.615  -5.065
  172   1HZ   LYS  23          1HZ       LYS  23   3.746  10.975  -7.151
  173   2HZ   LYS  23          2HZ       LYS  23   2.558  10.199  -6.305
  174   3HZ   LYS  23          3HZ       LYS  23   2.366  11.783  -6.735
  175    H    ALA  24           H        ALA  24   8.823   8.493  -1.885
  176    HA   ALA  24           HA       ALA  24  11.119   7.795  -3.446
  177   1HB   ALA  24          1HB       ALA  24  12.433   7.923  -1.338
  178   2HB   ALA  24          2HB       ALA  24  11.257   9.247  -1.442
  179   3HB   ALA  24          3HB       ALA  24  10.942   7.861  -0.367
  180    H    ALA  25           H        ALA  25  10.385   6.004  -0.459
  181    HA   ALA  25           HA       ALA  25  11.977   3.684  -0.952
  182   1HB   ALA  25          1HB       ALA  25  10.632   2.534   0.797
  183   2HB   ALA  25          2HB       ALA  25  11.022   4.196   1.277
  184   3HB   ALA  25          3HB       ALA  25   9.380   3.796   0.711
  185    H    PHE  26           H        PHE  26   8.637   4.362  -1.898
  186    HA   PHE  26           HA       PHE  26   7.683   1.784  -2.698
  187   1HB   PHE  26          1HB       PHE  26   6.458   4.122  -2.630
  188   2HB   PHE  26          2HB       PHE  26   6.963   4.302  -4.290
  189    HD1  PHE  26           HD1      PHE  26   4.059   4.038  -3.091
  190    HD2  PHE  26           HD2      PHE  26   6.679   1.152  -4.911
  191    HE1  PHE  26           HE1      PHE  26   2.113   2.782  -3.926
  192    HE2  PHE  26           HE2      PHE  26   4.721  -0.094  -5.732
  193    HZ   PHE  26           HZ       PHE  26   2.439   0.714  -5.239
  194    H    ASP  27           H        ASP  27   9.404   4.233  -4.647
  195    HA   ASP  27           HA       ASP  27   9.573   2.655  -7.127
  196   1HB   ASP  27          1HB       ASP  27  11.295   5.059  -6.293
  197   2HB   ASP  27          2HB       ASP  27   9.747   5.150  -7.100
  198    H    MET  28           H        MET  28  11.548   2.940  -4.245
  199    HA   MET  28           HA       MET  28  14.075   1.847  -4.947
  200   1HB   MET  28          1HB       MET  28  12.943   0.626  -2.443
  201   2HB   MET  28          2HB       MET  28  12.867   2.378  -2.517
  202   1HG   MET  28          1HG       MET  28  15.520   0.966  -3.135
  203   2HG   MET  28          2HG       MET  28  15.250   2.630  -2.594
  204   1HE   MET  28          1HE       MET  28  13.865   3.176  -0.463
  205   2HE   MET  28          2HE       MET  28  12.887   1.778   0.073
  206   3HE   MET  28          3HE       MET  28  14.218   2.380   1.103
  207    H    PHE  29           H        PHE  29  10.976   0.202  -4.594
  208    HA   PHE  29           HA       PHE  29  12.173  -2.536  -5.217
  209   1HB   PHE  29          1HB       PHE  29   9.256  -1.825  -4.503
  210   2HB   PHE  29          2HB       PHE  29   9.867  -3.430  -4.795
  211    HD1  PHE  29           HD1      PHE  29  11.881  -0.925  -2.859
  212    HD2  PHE  29           HD2      PHE  29   9.251  -4.324  -2.605
  213    HE1  PHE  29           HE1      PHE  29  12.486  -1.233  -0.493
  214    HE2  PHE  29           HE2      PHE  29   9.865  -4.608  -0.239
  215    HZ   PHE  29           HZ       PHE  29  11.478  -3.068   0.820
  216    H    ASP  30           H        ASP  30  10.024  -0.032  -6.472
  217    HA   ASP  30           HA       ASP  30   9.334  -1.532  -8.977
  218   1HB   ASP  30          1HB       ASP  30   8.472   1.019  -9.534
  219   2HB   ASP  30          2HB       ASP  30   8.493   1.104  -7.787
  220    H    ALA  31           H        ALA  31  11.313  -1.946  -9.899
  221    HA   ALA  31           HA       ALA  31  13.610  -0.274 -10.315
  222   1HB   ALA  31          1HB       ALA  31  14.165  -1.769 -12.238
  223   2HB   ALA  31          2HB       ALA  31  13.614  -2.692 -10.826
  224   3HB   ALA  31          3HB       ALA  31  12.523  -2.455 -12.217
  225    H    ASP  32           H        ASP  32  11.493  -1.046 -13.050
  226    HA   ASP  32           HA       ASP  32  11.637   1.858 -14.016
  227   1HB   ASP  32          1HB       ASP  32  11.688  -0.647 -15.795
  228   2HB   ASP  32          2HB       ASP  32  13.093   0.291 -15.344
  229    H    GLY  33           H        GLY  33   9.648   1.964 -12.690
  230   1HA   GLY  33          1HA       GLY  33   7.282   2.110 -14.460
  231   2HA   GLY  33          2HA       GLY  33   7.099   0.743 -13.356
  232    H    GLY  34           H        GLY  34   6.865   1.071 -11.155
  233   1HA   GLY  34          1HA       GLY  34   6.771   3.851  -9.946
  234   2HA   GLY  34          2HA       GLY  34   6.532   2.323  -9.085
  235    H    GLY  35           H        GLY  35   4.552   1.488  -8.823
  236   1HA   GLY  35          1HA       GLY  35   2.122   2.125 -10.388
  237   2HA   GLY  35          2HA       GLY  35   2.159   3.139  -8.943
  238    H    ASP  36           H        ASP  36   3.428  -0.151  -9.224
  239    HA   ASP  36           HA       ASP  36   1.761  -1.147  -6.918
  240   1HB   ASP  36          1HB       ASP  36   0.964  -1.693  -9.742
  241   2HB   ASP  36          2HB       ASP  36   0.013  -1.680  -8.275
  242    H    ILE  37           H        ILE  37   2.399  -3.231  -6.221
  243    HA   ILE  37           HA       ILE  37   4.861  -4.555  -7.418
  244    HB   ILE  37           HB       ILE  37   5.534  -4.496  -4.694
  245   1HG1  ILE  37          1HG1      ILE  37   5.347  -1.538  -5.400
  246   2HG1  ILE  37          2HG1      ILE  37   3.891  -2.300  -4.796
  247   1HG2  ILE  37          1HG2      ILE  37   7.586  -3.308  -5.480
  248   2HG2  ILE  37          2HG2      ILE  37   7.106  -4.540  -6.656
  249   3HG2  ILE  37          3HG2      ILE  37   6.772  -2.824  -6.988
  250   1HD1  ILE  37          1HD1      ILE  37   6.547  -2.188  -3.254
  251   2HD1  ILE  37          2HD1      ILE  37   5.051  -1.292  -2.913
  252   3HD1  ILE  37          3HD1      ILE  37   5.089  -3.058  -2.706
  253    H    SER  38           H        SER  38   5.361  -6.489  -5.805
  254    HA   SER  38           HA       SER  38   2.953  -8.229  -5.717
  255   1HB   SER  38          1HB       SER  38   5.327  -9.011  -6.224
  256   2HB   SER  38          2HB       SER  38   5.709  -8.829  -4.510
  257    HG   SER  38           HG       SER  38   3.382 -10.221  -5.176
  258    H    THR  39           H        THR  39   2.226  -9.320  -3.792
  259    HA   THR  39           HA       THR  39   1.768  -7.453  -1.484
  260    HB   THR  39           HB       THR  39  -0.014  -8.750  -0.812
  261    HG1  THR  39           HG1      THR  39  -0.190 -10.879  -1.076
  262   1HG2  THR  39          1HG2      THR  39  -1.368  -9.439  -2.742
  263   2HG2  THR  39          2HG2      THR  39  -0.490  -7.952  -3.166
  264   3HG2  THR  39          3HG2      THR  39   0.064  -9.527  -3.794
  265    H    LYS  40           H        LYS  40   3.563 -10.386  -2.225
  266    HA   LYS  40           HA       LYS  40   4.102 -11.381   0.469
  267   1HB   LYS  40          1HB       LYS  40   5.085 -11.953  -2.263
  268   2HB   LYS  40          2HB       LYS  40   4.777 -13.046  -0.931
  269   1HG   LYS  40          1HG       LYS  40   7.345 -11.482  -1.532
  270   2HG   LYS  40          2HG       LYS  40   7.080 -12.192   0.048
  271   1HD   LYS  40          1HD       LYS  40   8.480 -13.622  -1.553
  272   2HD   LYS  40          2HD       LYS  40   7.121 -14.436  -0.796
  273   1HE   LYS  40          1HE       LYS  40   6.622 -13.201  -3.531
  274   2HE   LYS  40          2HE       LYS  40   7.600 -14.669  -3.463
  275   1HZ   LYS  40          1HZ       LYS  40   5.600 -15.672  -3.475
  276   2HZ   LYS  40          2HZ       LYS  40   5.495 -15.300  -1.869
  277   3HZ   LYS  40          3HZ       LYS  40   4.767 -14.330  -2.991
  278    H    GLU  41           H        GLU  41   5.613  -8.936  -1.566
  279    HA   GLU  41           HA       GLU  41   7.890  -8.462   0.378
  280   1HB   GLU  41          1HB       GLU  41   8.728  -6.851  -1.399
  281   2HB   GLU  41          2HB       GLU  41   7.374  -7.308  -2.413
  282   1HG   GLU  41          1HG       GLU  41   8.365  -9.822  -1.985
  283   2HG   GLU  41          2HG       GLU  41   8.907  -8.787  -3.295
  284    H    LEU  42           H        LEU  42   4.900  -7.030  -0.754
  285    HA   LEU  42           HA       LEU  42   4.965  -4.314  -0.287
  286   1HB   LEU  42          1HB       LEU  42   2.798  -4.680  -0.768
  287   2HB   LEU  42          2HB       LEU  42   2.878  -6.345  -0.234
  288    HG   LEU  42           HG       LEU  42   2.612  -5.308   2.225
  289   1HD1  LEU  42          1HD1      LEU  42   1.223  -3.216   2.261
  290   2HD1  LEU  42          2HD1      LEU  42   2.833  -2.907   1.593
  291   3HD1  LEU  42          3HD1      LEU  42   1.432  -3.030   0.501
  292   1HD2  LEU  42          1HD2      LEU  42   0.226  -5.433   0.258
  293   2HD2  LEU  42          2HD2      LEU  42   0.918  -6.810   1.152
  294   3HD2  LEU  42          3HD2      LEU  42   0.123  -5.495   2.037
  295    H    GLY  43           H        GLY  43   4.691  -6.789   2.269
  296   1HA   GLY  43          1HA       GLY  43   4.980  -6.664   4.691
  297   2HA   GLY  43          2HA       GLY  43   4.512  -4.966   4.558
  298    H    THR  44           H        THR  44   7.288  -6.808   3.217
  299    HA   THR  44           HA       THR  44   9.428  -5.884   4.778
  300    HB   THR  44           HB       THR  44   9.317  -6.659   1.867
  301    HG1  THR  44           HG1      THR  44  11.102  -7.971   2.970
  302   1HG2  THR  44          1HG2      THR  44  11.795  -6.443   1.638
  303   2HG2  THR  44          2HG2      THR  44  11.022  -4.850   1.771
  304   3HG2  THR  44          3HG2      THR  44  11.874  -5.545   3.174
  305    H    VAL  45           H        VAL  45   7.544  -4.156   2.387
  306    HA   VAL  45           HA       VAL  45   9.383  -1.820   2.100
  307    HB   VAL  45           HB       VAL  45   7.435  -2.836   0.460
  308   1HG1  VAL  45          1HG1      VAL  45   5.598  -1.167   0.207
  309   2HG1  VAL  45          2HG1      VAL  45   5.516  -1.933   1.798
  310   3HG1  VAL  45          3HG1      VAL  45   6.164  -0.284   1.649
  311   1HG2  VAL  45          1HG2      VAL  45   8.471   0.075   0.371
  312   2HG2  VAL  45          2HG2      VAL  45   9.295  -1.344  -0.317
  313   3HG2  VAL  45          3HG2      VAL  45   7.744  -0.820  -0.988
  314    H    MET  46           H        MET  46   6.375  -2.625   3.808
  315    HA   MET  46           HA       MET  46   5.800  -0.057   5.056
  316   1HB   MET  46          1HB       MET  46   5.173  -2.886   6.086
  317   2HB   MET  46          2HB       MET  46   4.581  -1.414   6.835
  318   1HG   MET  46          1HG       MET  46   3.167  -2.807   4.943
  319   2HG   MET  46          2HG       MET  46   4.014  -1.682   3.870
  320   1HE   MET  46          1HE       MET  46   0.410  -1.683   5.301
  321   2HE   MET  46          2HE       MET  46   1.535  -2.423   6.478
  322   3HE   MET  46          3HE       MET  46   0.685  -0.905   6.891
  323    NH1  ARG  47           NH1      ARG  47  10.866  -7.663  10.340
  324    NH2  ARG  47           NH2      ARG  47   9.503  -7.993   8.552
  325    H    ARG  47           H        ARG  47   8.169  -2.541   5.772
  326    HA   ARG  47           HA       ARG  47   8.868  -1.371   8.500
  327   1HB   ARG  47          1HB       ARG  47   8.660  -3.743   8.617
  328   2HB   ARG  47          2HB       ARG  47   9.498  -3.999   7.093
  329   1HG   ARG  47          1HG       ARG  47  11.636  -3.803   8.006
  330   2HG   ARG  47          2HG       ARG  47  11.136  -2.680   9.273
  331   1HD   ARG  47          1HD       ARG  47  11.768  -5.193   9.917
  332   2HD   ARG  47          2HD       ARG  47  10.442  -4.383  10.748
  333    HE   ARG  47           HE       ARG  47   8.922  -5.602   8.890
  334   1HH1  ARG  47          1HH1      ARG  47  10.925  -8.686  10.386
  335   2HH1  ARG  47          2HH1      ARG  47  11.348  -6.991  10.947
  336   1HH2  ARG  47          1HH2      ARG  47   8.916  -7.577   7.821
  337   2HH2  ARG  47          2HH2      ARG  47   9.692  -8.992   8.694
  338    H    MET  48           H        MET  48  10.052  -1.629   5.212
  339    HA   MET  48           HA       MET  48  12.898  -0.917   5.873
  340   1HB   MET  48          1HB       MET  48  11.552  -1.248   3.126
  341   2HB   MET  48          2HB       MET  48  12.355  -2.522   4.028
  342   1HG   MET  48          1HG       MET  48  14.495  -0.910   3.949
  343   2HG   MET  48          2HG       MET  48  13.620  -0.114   2.631
  344   1HE   MET  48          1HE       MET  48  16.488  -2.624   1.217
  345   2HE   MET  48          2HE       MET  48  16.321  -1.190   2.272
  346   3HE   MET  48          3HE       MET  48  16.407  -2.822   2.996
  347    H    LEU  49           H        LEU  49  10.286   0.921   6.092
  348    HA   LEU  49           HA       LEU  49  11.579   3.435   4.897
  349   1HB   LEU  49          1HB       LEU  49   9.467   3.542   3.984
  350   2HB   LEU  49          2HB       LEU  49   9.199   4.426   5.472
  351    HG   LEU  49           HG       LEU  49   8.590   1.429   5.403
  352   1HD1  LEU  49          1HD1      LEU  49   6.882   2.046   7.120
  353   2HD1  LEU  49          2HD1      LEU  49   8.494   2.592   7.617
  354   3HD1  LEU  49          3HD1      LEU  49   7.319   3.767   6.975
  355   1HD2  LEU  49          1HD2      LEU  49   6.679   3.629   4.363
  356   2HD2  LEU  49          2HD2      LEU  49   7.401   2.321   3.394
  357   3HD2  LEU  49          3HD2      LEU  49   6.237   1.930   4.668
  358    H    GLY  50           H        GLY  50  10.095   1.927   7.742
  359   1HA   GLY  50          1HA       GLY  50  11.907   2.598   9.773
  360   2HA   GLY  50          2HA       GLY  50  11.015   4.115   9.618
  361    H    GLN  51           H        GLN  51  10.443   0.617   9.951
  362    HA   GLN  51           HA       GLN  51   8.327   1.045  12.094
  363   1HB   GLN  51          1HB       GLN  51   7.419   0.915   9.493
  364   2HB   GLN  51          2HB       GLN  51   7.469  -0.797   9.874
  365   1HG   GLN  51          1HG       GLN  51   5.818  -0.645  11.572
  366   2HG   GLN  51          2HG       GLN  51   6.092   1.061  11.864
  367   1HE2  GLN  51          1HE2      GLN  51   3.173   1.701   9.893
  368   2HE2  GLN  51          2HE2      GLN  51   4.203   2.061  11.368
  369    H    ASN  52           H        ASN  52   7.617  -1.112  12.931
  370    HA   ASN  52           HA       ASN  52   9.819  -3.207  12.795
  371   1HB   ASN  52          1HB       ASN  52   9.661  -3.311  15.396
  372   2HB   ASN  52          2HB       ASN  52   8.864  -1.755  15.321
  373   1HD2  ASN  52          1HD2      ASN  52  12.949  -2.092  14.853
  374   2HD2  ASN  52          2HD2      ASN  52  11.843  -3.549  14.993
  375    HA   PRO  53           HA       PRO  53   5.314  -4.972  13.360
  376   1HB   PRO  53          1HB       PRO  53   4.680  -5.913  10.854
  377   2HB   PRO  53          2HB       PRO  53   4.474  -4.227  11.351
  378   1HG   PRO  53          1HG       PRO  53   5.821  -3.883   9.453
  379   2HG   PRO  53          2HG       PRO  53   6.752  -5.385   9.654
  380   1HD   PRO  53          1HD       PRO  53   8.326  -3.928  10.685
  381   2HD   PRO  53          2HD       PRO  53   7.083  -2.682  11.006
  382    H    THR  54           H        THR  54   4.607  -7.334  12.771
  383    HA   THR  54           HA       THR  54   6.970  -9.225  13.158
  384    HB   THR  54           HB       THR  54   5.820 -10.129  14.810
  385    HG1  THR  54           HG1      THR  54   4.581 -11.653  14.222
  386   1HG2  THR  54          1HG2      THR  54   3.564  -9.441  15.556
  387   2HG2  THR  54          2HG2      THR  54   4.521  -8.002  15.135
  388   3HG2  THR  54          3HG2      THR  54   3.265  -8.595  14.019
  389    H    LYS  55           H        LYS  55   6.545 -11.457  12.213
  390    HA   LYS  55           HA       LYS  55   6.249 -11.102   9.232
  391   1HB   LYS  55          1HB       LYS  55   7.346 -13.340  11.002
  392   2HB   LYS  55          2HB       LYS  55   8.208 -12.339   9.853
  393   1HG   LYS  55          1HG       LYS  55   7.146 -14.952   9.458
  394   2HG   LYS  55          2HG       LYS  55   6.077 -13.927   8.521
  395   1HD   LYS  55          1HD       LYS  55   7.698 -14.422   6.898
  396   2HD   LYS  55          2HD       LYS  55   8.305 -12.895   7.516
  397   1HE   LYS  55          1HE       LYS  55   9.480 -15.659   7.841
  398   2HE   LYS  55          2HE       LYS  55  10.299 -14.121   7.560
  399   1HZ   LYS  55          1HZ       LYS  55  10.617 -15.095   9.818
  400   2HZ   LYS  55          2HZ       LYS  55  10.023 -13.554   9.864
  401   3HZ   LYS  55          3HZ       LYS  55   9.021 -14.834  10.157
  402    H    GLU  56           H        GLU  56   4.713 -12.768  11.939
  403    HA   GLU  56           HA       GLU  56   2.853 -14.432  10.301
  404   1HB   GLU  56          1HB       GLU  56   1.922 -15.245  12.344
  405   2HB   GLU  56          2HB       GLU  56   3.664 -15.188  12.526
  406   1HG   GLU  56          1HG       GLU  56   2.216 -12.741  13.551
  407   2HG   GLU  56          2HG       GLU  56   3.592 -13.596  14.229
  408    H    GLU  57           H        GLU  57   2.800 -11.338  11.981
  409    HA   GLU  57           HA       GLU  57  -0.097 -10.746  11.713
  410   1HB   GLU  57          1HB       GLU  57   0.538  -8.369  12.197
  411   2HB   GLU  57          2HB       GLU  57   2.235  -8.800  12.123
  412   1HG   GLU  57          1HG       GLU  57   2.078 -10.183  14.146
  413   2HG   GLU  57          2HG       GLU  57   0.323 -10.151  14.123
  414    H    LEU  58           H        LEU  58   2.798 -10.310   9.753
  415    HA   LEU  58           HA       LEU  58   1.733  -8.572   7.654
  416   1HB   LEU  58          1HB       LEU  58   4.158  -8.945   7.922
  417   2HB   LEU  58          2HB       LEU  58   3.993 -10.650   7.562
  418    HG   LEU  58           HG       LEU  58   4.912  -9.083   5.696
  419   1HD1  LEU  58          1HD1      LEU  58   3.815 -10.415   3.866
  420   2HD1  LEU  58          2HD1      LEU  58   4.293 -11.449   5.220
  421   3HD1  LEU  58          3HD1      LEU  58   2.583 -10.997   5.014
  422   1HD2  LEU  58          1HD2      LEU  58   1.915  -8.406   5.336
  423   2HD2  LEU  58          2HD2      LEU  58   3.188  -7.266   5.840
  424   3HD2  LEU  58          3HD2      LEU  58   3.230  -7.974   4.214
  425    H    ASP  59           H        ASP  59   1.679 -12.053   8.206
  426    HA   ASP  59           HA       ASP  59   0.572 -12.888   5.602
  427   1HB   ASP  59          1HB       ASP  59   0.906 -14.281   8.279
  428   2HB   ASP  59          2HB       ASP  59   1.627 -14.648   6.729
  429    H    ALA  60           H        ALA  60  -0.782 -11.784   8.655
  430    HA   ALA  60           HA       ALA  60  -3.582 -12.550   8.244
  431   1HB   ALA  60          1HB       ALA  60  -4.083 -10.977  10.109
  432   2HB   ALA  60          2HB       ALA  60  -2.692 -12.012  10.488
  433   3HB   ALA  60          3HB       ALA  60  -2.435 -10.309  10.030
  434    H    ILE  61           H        ILE  61  -2.051  -9.310   8.054
  435    HA   ILE  61           HA       ILE  61  -4.150  -7.779   6.954
  436    HB   ILE  61           HB       ILE  61  -1.151  -7.464   6.757
  437   1HG1  ILE  61          1HG1      ILE  61  -2.038  -5.071   7.724
  438   2HG1  ILE  61          2HG1      ILE  61  -3.442  -6.021   8.163
  439   1HG2  ILE  61          1HG2      ILE  61  -1.368  -5.338   5.444
  440   2HG2  ILE  61          2HG2      ILE  61  -1.919  -6.715   4.493
  441   3HG2  ILE  61          3HG2      ILE  61  -3.113  -5.624   5.233
  442   1HD1  ILE  61          1HD1      ILE  61  -0.588  -6.605   9.150
  443   2HD1  ILE  61          2HD1      ILE  61  -1.950  -5.946  10.082
  444   3HD1  ILE  61          3HD1      ILE  61  -2.015  -7.623   9.492
  445    H    ILE  62           H        ILE  62  -1.870  -9.985   5.410
  446    HA   ILE  62           HA       ILE  62  -2.410  -9.323   2.583
  447    HB   ILE  62           HB       ILE  62  -1.017 -11.624   3.971
  448   1HG1  ILE  62          1HG1      ILE  62   0.816 -10.928   2.221
  449   2HG1  ILE  62          2HG1      ILE  62   0.532  -9.877   3.592
  450   1HG2  ILE  62          1HG2      ILE  62  -0.644 -12.826   1.802
  451   2HG2  ILE  62          2HG2      ILE  62  -2.362 -12.787   2.195
  452   3HG2  ILE  62          3HG2      ILE  62  -1.718 -11.681   0.960
  453   1HD1  ILE  62          1HD1      ILE  62  -0.770  -8.260   2.239
  454   2HD1  ILE  62          2HD1      ILE  62   0.810  -8.575   1.491
  455   3HD1  ILE  62          3HD1      ILE  62  -0.652  -9.324   0.810
  456    H    GLU  63           H        GLU  63  -3.669 -11.763   4.848
  457    HA   GLU  63           HA       GLU  63  -5.532 -13.109   3.064
  458   1HB   GLU  63          1HB       GLU  63  -4.747 -13.818   5.437
  459   2HB   GLU  63          2HB       GLU  63  -6.025 -12.794   6.062
  460   1HG   GLU  63          1HG       GLU  63  -7.562 -14.266   4.347
  461   2HG   GLU  63          2HG       GLU  63  -6.246 -15.415   4.524
  462    H    GLU  64           H        GLU  64  -5.733 -10.103   4.863
  463    HA   GLU  64           HA       GLU  64  -8.649  -9.731   4.862
  464   1HB   GLU  64          1HB       GLU  64  -8.069  -7.265   5.296
  465   2HB   GLU  64          2HB       GLU  64  -6.377  -7.713   5.212
  466   1HG   GLU  64          1HG       GLU  64  -6.785  -7.754   7.534
  467   2HG   GLU  64          2HG       GLU  64  -6.915  -9.455   7.122
  468    H    VAL  65           H        VAL  65  -6.022  -8.518   2.776
  469    HA   VAL  65           HA       VAL  65  -7.770  -6.913   0.996
  470    HB   VAL  65           HB       VAL  65  -5.675  -5.999   0.995
  471   1HG1  VAL  65          1HG1      VAL  65  -5.331  -7.808  -1.483
  472   2HG1  VAL  65          2HG1      VAL  65  -6.445  -6.429  -1.418
  473   3HG1  VAL  65          3HG1      VAL  65  -4.694  -6.162  -1.242
  474   1HG2  VAL  65          1HG2      VAL  65  -3.487  -7.093   1.007
  475   2HG2  VAL  65          2HG2      VAL  65  -4.495  -7.973   2.182
  476   3HG2  VAL  65          3HG2      VAL  65  -4.189  -8.675   0.587
  477    H    ASP  66           H        ASP  66  -6.447 -10.184   1.032
  478    HA   ASP  66           HA       ASP  66  -7.618 -10.803  -1.722
  479   1HB   ASP  66          1HB       ASP  66  -5.660 -12.615  -0.219
  480   2HB   ASP  66          2HB       ASP  66  -5.105 -11.259  -1.174
  481    H    GLU  67           H        GLU  67  -9.406 -10.460   0.276
  482    HA   GLU  67           HA       GLU  67 -10.179 -12.965   1.709
  483   1HB   GLU  67          1HB       GLU  67 -12.110 -11.822   2.503
  484   2HB   GLU  67          2HB       GLU  67 -10.761 -10.708   2.593
  485   1HG   GLU  67          1HG       GLU  67 -11.690  -9.810   0.230
  486   2HG   GLU  67          2HG       GLU  67 -13.168 -10.632   0.704
  487    H    ASP  68           H        ASP  68 -11.073 -11.275  -1.273
  488    HA   ASP  68           HA       ASP  68 -12.641 -13.731  -2.215
  489   1HB   ASP  68          1HB       ASP  68 -12.918 -11.031  -3.598
  490   2HB   ASP  68          2HB       ASP  68 -13.746 -11.304  -2.082
  491    H    GLY  69           H        GLY  69 -10.291 -11.225  -3.164
  492   1HA   GLY  69          1HA       GLY  69  -9.279 -12.930  -5.499
  493   2HA   GLY  69          2HA       GLY  69  -8.162 -12.601  -4.171
  494    H    SER  70           H        SER  70  -7.213 -10.654  -3.963
  495    HA   SER  70           HA       SER  70  -7.906  -8.328  -5.803
  496   1HB   SER  70          1HB       SER  70  -7.508  -7.864  -3.378
  497   2HB   SER  70          2HB       SER  70  -5.851  -8.454  -3.525
  498    HG   SER  70           HG       SER  70  -7.041  -6.143  -4.507
  499    H    GLY  71           H        GLY  71  -4.835  -9.807  -4.696
  500   1HA   GLY  71          1HA       GLY  71  -3.204 -11.022  -6.205
  501   2HA   GLY  71          2HA       GLY  71  -3.912 -10.174  -7.583
  502    H    THR  72           H        THR  72  -3.794  -7.696  -7.364
  503    HA   THR  72           HA       THR  72  -0.891  -6.996  -6.812
  504    HB   THR  72           HB       THR  72  -1.087  -5.152  -8.416
  505    HG1  THR  72           HG1      THR  72  -3.493  -6.033  -9.400
  506   1HG2  THR  72          1HG2      THR  72  -2.247  -7.429 -10.052
  507   2HG2  THR  72          2HG2      THR  72  -0.881  -6.352 -10.416
  508   3HG2  THR  72          3HG2      THR  72  -0.678  -7.694  -9.260
  509    H    ILE  73           H        ILE  73  -0.354  -5.013  -5.837
  510    HA   ILE  73           HA       ILE  73  -2.571  -3.521  -4.398
  511    HB   ILE  73           HB       ILE  73  -1.444  -5.122  -2.826
  512   1HG1  ILE  73          1HG1      ILE  73  -1.035  -3.146  -1.026
  513   2HG1  ILE  73          2HG1      ILE  73  -1.703  -2.148  -2.305
  514   1HG2  ILE  73          1HG2      ILE  73   0.763  -4.663  -1.822
  515   2HG2  ILE  73          2HG2      ILE  73   0.964  -4.894  -3.565
  516   3HG2  ILE  73          3HG2      ILE  73   1.013  -3.253  -2.877
  517   1HD1  ILE  73          1HD1      ILE  73  -3.734  -3.842  -2.372
  518   2HD1  ILE  73          2HD1      ILE  73  -3.112  -4.405  -0.806
  519   3HD1  ILE  73          3HD1      ILE  73  -3.613  -2.708  -0.998
  520    H    ASP  74           H        ASP  74  -2.515  -1.417  -4.673
  521    HA   ASP  74           HA       ASP  74  -0.199  -0.186  -6.247
  522   1HB   ASP  74          1HB       ASP  74  -1.595   1.008  -7.500
  523   2HB   ASP  74          2HB       ASP  74  -2.527   1.528  -6.128
  524    H    PHE  75           H        PHE  75  -0.714   2.451  -5.837
  525    HA   PHE  75           HA       PHE  75   0.722   2.836  -3.256
  526   1HB   PHE  75          1HB       PHE  75  -0.072   5.020  -5.264
  527   2HB   PHE  75          2HB       PHE  75   1.290   3.963  -5.525
  528    HD1  PHE  75           HD1      PHE  75   2.489   6.310  -5.593
  529    HD2  PHE  75           HD2      PHE  75   0.913   4.598  -1.972
  530    HE1  PHE  75           HE1      PHE  75   3.699   7.988  -4.261
  531    HE2  PHE  75           HE2      PHE  75   2.123   6.295  -0.658
  532    HZ   PHE  75           HZ       PHE  75   3.542   7.966  -1.794
  533    H    GLU  76           H        GLU  76  -2.459   3.467  -4.608
  534    HA   GLU  76           HA       GLU  76  -3.480   5.385  -2.648
  535   1HB   GLU  76          1HB       GLU  76  -5.796   4.538  -3.416
  536   2HB   GLU  76          2HB       GLU  76  -4.764   5.364  -4.565
  537   1HG   GLU  76          1HG       GLU  76  -4.118   2.611  -4.959
  538   2HG   GLU  76          2HG       GLU  76  -5.080   3.639  -6.008
  539    H    GLU  77           H        GLU  77  -4.539   1.997  -2.993
  540    HA   GLU  77           HA       GLU  77  -5.560   1.471  -0.359
  541   1HB   GLU  77          1HB       GLU  77  -3.989  -0.716  -1.757
  542   2HB   GLU  77          2HB       GLU  77  -5.419  -0.069  -2.537
  543   1HG   GLU  77          1HG       GLU  77  -5.196  -1.766  -0.034
  544   2HG   GLU  77          2HG       GLU  77  -6.481  -0.569  -0.033
  545    H    PHE  78           H        PHE  78  -2.267   1.792  -1.493
  546    HA   PHE  78           HA       PHE  78  -0.777   0.524   0.639
  547   1HB   PHE  78          1HB       PHE  78  -0.148   2.164  -1.663
  548   2HB   PHE  78          2HB       PHE  78   0.627   2.933  -0.307
  549    HD1  PHE  78           HD1      PHE  78   0.125  -0.647  -1.548
  550    HD2  PHE  78           HD2      PHE  78   2.850   2.207   0.168
  551    HE1  PHE  78           HE1      PHE  78   1.986  -2.234  -1.836
  552    HE2  PHE  78           HE2      PHE  78   4.679   0.575  -0.047
  553    HZ   PHE  78           HZ       PHE  78   4.265  -1.623  -1.099
  554    H    LEU  79           H        LEU  79  -1.665   3.967   0.231
  555    HA   LEU  79           HA       LEU  79  -0.768   4.930   2.866
  556   1HB   LEU  79          1HB       LEU  79  -2.140   6.945   2.418
  557   2HB   LEU  79          2HB       LEU  79  -2.980   6.140   1.110
  558    HG   LEU  79           HG       LEU  79  -0.554   5.897   0.012
  559   1HD1  LEU  79          1HD1      LEU  79  -0.854   8.095  -1.138
  560   2HD1  LEU  79          2HD1      LEU  79  -2.412   7.266  -0.961
  561   3HD1  LEU  79          3HD1      LEU  79  -2.004   8.625   0.116
  562   1HD2  LEU  79          1HD2      LEU  79  -0.064   8.260   1.947
  563   2HD2  LEU  79          2HD2      LEU  79   0.796   6.700   1.954
  564   3HD2  LEU  79          3HD2      LEU  79   0.986   7.802   0.582
  565    H    VAL  80           H        VAL  80  -3.680   3.388   1.648
  566    HA   VAL  80           HA       VAL  80  -5.536   4.053   3.798
  567    HB   VAL  80           HB       VAL  80  -5.561   1.754   1.790
  568   1HG1  VAL  80          1HG1      VAL  80  -7.461   4.171   1.996
  569   2HG1  VAL  80          2HG1      VAL  80  -6.009   4.170   0.986
  570   3HG1  VAL  80          3HG1      VAL  80  -7.312   3.005   0.655
  571   1HG2  VAL  80          1HG2      VAL  80  -7.837   1.139   2.456
  572   2HG2  VAL  80          2HG2      VAL  80  -6.821   1.024   3.912
  573   3HG2  VAL  80          3HG2      VAL  80  -7.894   2.415   3.697
  574    H    MET  81           H        MET  81  -3.130   1.507   3.352
  575    HA   MET  81           HA       MET  81  -3.917  -0.071   5.773
  576   1HB   MET  81          1HB       MET  81  -1.970  -1.514   5.263
  577   2HB   MET  81          2HB       MET  81  -1.368  -0.362   4.085
  578   1HG   MET  81          1HG       MET  81  -3.743  -0.752   2.877
  579   2HG   MET  81          2HG       MET  81  -2.410  -1.898   2.665
  580   1HE   MET  81          1HE       MET  81  -5.640  -2.105   2.363
  581   2HE   MET  81          2HE       MET  81  -6.382  -3.302   3.465
  582   3HE   MET  81          3HE       MET  81  -6.218  -1.598   3.981
  583    H    MET  82           H        MET  82  -1.506   2.337   4.875
  584    HA   MET  82           HA       MET  82   0.337   2.088   7.119
  585   1HB   MET  82          1HB       MET  82  -0.223   4.290   5.104
  586   2HB   MET  82          2HB       MET  82   0.702   4.702   6.536
  587   1HG   MET  82          1HG       MET  82   1.632   2.217   5.069
  588   2HG   MET  82          2HG       MET  82   1.841   3.761   4.228
  589   1HE   MET  82          1HE       MET  82   2.190   1.739   7.352
  590   2HE   MET  82          2HE       MET  82   3.882   2.027   7.854
  591   3HE   MET  82          3HE       MET  82   2.571   3.042   8.522
  592    H    VAL  83           H        VAL  83  -2.198   4.560   6.577
  593    HA   VAL  83           HA       VAL  83  -2.232   5.784   9.174
  594    HB   VAL  83           HB       VAL  83  -4.679   5.462   7.363
  595   1HG1  VAL  83          1HG1      VAL  83  -2.700   7.825   7.371
  596   2HG1  VAL  83          2HG1      VAL  83  -2.626   6.505   6.196
  597   3HG1  VAL  83          3HG1      VAL  83  -4.066   7.547   6.260
  598   1HG2  VAL  83          1HG2      VAL  83  -5.618   7.449   8.426
  599   2HG2  VAL  83          2HG2      VAL  83  -5.174   6.340   9.744
  600   3HG2  VAL  83          3HG2      VAL  83  -4.141   7.730   9.383
  601    NH1  ARG  84           NH1      ARG  84 -10.179   1.663   8.476
  602    NH2  ARG  84           NH2      ARG  84 -10.339   2.722   6.473
  603    H    ARG  84           H        ARG  84  -3.956   2.922   7.959
  604    HA   ARG  84           HA       ARG  84  -5.736   2.259  10.149
  605   1HB   ARG  84          1HB       ARG  84  -4.406   0.699   7.946
  606   2HB   ARG  84          2HB       ARG  84  -4.842  -0.241   9.366
  607   1HG   ARG  84          1HG       ARG  84  -6.581   0.143   7.342
  608   2HG   ARG  84          2HG       ARG  84  -7.113  -0.079   9.010
  609   1HD   ARG  84          1HD       ARG  84  -7.757   2.162   9.286
  610   2HD   ARG  84          2HD       ARG  84  -6.508   2.785   8.210
  611    HE   ARG  84           HE       ARG  84  -7.948   2.104   6.235
  612   1HH1  ARG  84          1HH1      ARG  84 -11.198   1.776   8.528
  613   2HH1  ARG  84          2HH1      ARG  84  -9.573   1.227   9.180
  614   1HH2  ARG  84          1HH2      ARG  84  -9.849   3.176   5.694
  615   2HH2  ARG  84          2HH2      ARG  84 -11.354   2.677   6.618
  616    H    GLN  85           H        GLN  85  -2.279   1.506   9.671
  617    HA   GLN  85           HA       GLN  85  -1.926  -0.148  12.079
  618   1HB   GLN  85          1HB       GLN  85   0.397   1.389  10.832
  619   2HB   GLN  85          2HB       GLN  85  -0.413   0.141   9.902
  620   1HG   GLN  85          1HG       GLN  85   0.493  -1.589  11.109
  621   2HG   GLN  85          2HG       GLN  85   1.732  -0.398  11.449
  622   1HE2  GLN  85          1HE2      GLN  85  -0.749  -1.700  14.501
  623   2HE2  GLN  85          2HE2      GLN  85  -1.217  -1.930  12.742
  624    H    MET  86           H        MET  86  -1.225   3.268  11.342
  625    HA   MET  86           HA       MET  86   0.142   4.087  13.742
  626   1HB   MET  86          1HB       MET  86  -1.447   5.563  11.640
  627   2HB   MET  86          2HB       MET  86  -1.219   6.396  13.167
  628   1HG   MET  86          1HG       MET  86   1.166   6.504  12.928
  629   2HG   MET  86          2HG       MET  86   0.544   6.819  11.300
  630   1HE   MET  86          1HE       MET  86   3.275   4.863   9.751
  631   2HE   MET  86          2HE       MET  86   1.651   5.231   9.098
  632   3HE   MET  86          3HE       MET  86   2.496   6.435  10.115
  633    H    LYS  87           H        LYS  87  -3.330   3.905  13.016
  634    HA   LYS  87           HA       LYS  87  -4.510   5.012  15.390
  635   1HB   LYS  87          1HB       LYS  87  -5.983   4.396  13.585
  636   2HB   LYS  87          2HB       LYS  87  -5.469   2.723  13.589
  637   1HG   LYS  87          1HG       LYS  87  -6.626   3.525  16.209
  638   2HG   LYS  87          2HG       LYS  87  -6.974   2.126  15.213
  639   1HD   LYS  87          1HD       LYS  87  -8.070   4.874  14.386
  640   2HD   LYS  87          2HD       LYS  87  -8.631   3.276  13.922
  641   1HE   LYS  87          1HE       LYS  87  -9.365   4.882  16.319
  642   2HE   LYS  87          2HE       LYS  87 -10.280   3.618  15.495
  643   1HZ   LYS  87          1HZ       LYS  87  -8.499   2.081  16.640
  644   2HZ   LYS  87          2HZ       LYS  87  -8.320   3.356  17.675
  645   3HZ   LYS  87          3HZ       LYS  87  -9.796   2.636  17.500
  646    H    GLU  88           H        GLU  88  -3.551   1.616  14.769
  647    HA   GLU  88           HA       GLU  88  -3.700   0.956  17.733
  648   1HB   GLU  88          1HB       GLU  88  -4.582  -0.514  15.645
  649   2HB   GLU  88          2HB       GLU  88  -2.943  -1.133  15.682
  650   1HG   GLU  88          1HG       GLU  88  -3.236  -2.237  17.744
  651   2HG   GLU  88          2HG       GLU  88  -4.410  -1.077  18.341
  652    H    ASP  89           H        ASP  89  -1.943   2.032  18.522
  653    HA   ASP  89           HA       ASP  89   0.843   1.473  17.485
  654   1HB   ASP  89          1HB       ASP  89   0.203   3.800  18.250
  655   2HB   ASP  89          2HB       ASP  89   1.676   3.154  18.934
  656    H    ALA  90           H        ALA  90  -1.128   0.950  20.402
  657    HA   ALA  90           HA       ALA  90  -1.006  -0.672  22.184
  658   1HB   ALA  90          1HB       ALA  90  -1.064  -2.270  20.127
  659   2HB   ALA  90          2HB       ALA  90   0.700  -2.392  20.275
  660   3HB   ALA  90          3HB       ALA  90  -0.343  -2.950  21.607
   
  Start of MODEL          27
 Raw file had  660 H/Q atoms
  Start of MODEL   27
    1   1H    ALA   1          1H        ALA   1 -21.383   2.199   3.395
    2   2H    ALA   1          2H        ALA   1 -22.036   0.698   3.782
    3   3H    ALA   1          3H        ALA   1 -22.947   1.812   2.912
    4    HA   ALA   1           HA       ALA   1 -23.878   2.273   4.839
    5   1HB   ALA   1          1HB       ALA   1 -22.302   1.889   7.036
    6   2HB   ALA   1          2HB       ALA   1 -23.201   0.565   6.270
    7   3HB   ALA   1          3HB       ALA   1 -21.465   0.778   5.925
    8    H    SER   2           H        SER   2 -20.432   2.889   5.568
    9    HA   SER   2           HA       SER   2 -20.812   5.897   5.258
   10   1HB   SER   2          1HB       SER   2 -20.214   4.485   7.874
   11   2HB   SER   2          2HB       SER   2 -19.442   6.042   7.563
   12    HG   SER   2           HG       SER   2 -21.854   6.440   6.799
   13    H    MET   3           H        MET   3 -18.271   3.991   6.852
   14    HA   MET   3           HA       MET   3 -16.220   5.004   4.807
   15   1HB   MET   3          1HB       MET   3 -15.686   5.863   7.008
   16   2HB   MET   3          2HB       MET   3 -15.902   4.295   7.767
   17   1HG   MET   3          1HG       MET   3 -13.846   3.887   5.784
   18   2HG   MET   3          2HG       MET   3 -13.479   5.433   6.568
   19   1HE   MET   3          1HE       MET   3 -14.771   5.400   9.111
   20   2HE   MET   3          2HE       MET   3 -14.447   4.097  10.293
   21   3HE   MET   3          3HE       MET   3 -13.166   5.281   9.898
   22    H    THR   4           H        THR   4 -17.475   3.106   3.713
   23    HA   THR   4           HA       THR   4 -16.976   0.309   4.185
   24    HB   THR   4           HB       THR   4 -18.311   1.559   2.243
   25    HG1  THR   4           HG1      THR   4 -17.880  -0.793   2.913
   26   1HG2  THR   4          1HG2      THR   4 -17.343   1.216   0.000
   27   2HG2  THR   4          2HG2      THR   4 -16.340   2.381   0.893
   28   3HG2  THR   4          3HG2      THR   4 -15.785   0.701   0.680
   29    H    ASP   5           H        ASP   5 -14.859   2.874   3.080
   30    HA   ASP   5           HA       ASP   5 -12.361   1.725   3.784
   31   1HB   ASP   5          1HB       ASP   5 -13.345   0.485   1.270
   32   2HB   ASP   5          2HB       ASP   5 -11.777   1.232   1.069
   33    H    GLN   6           H        GLN   6 -12.887   4.082   4.150
   34    HA   GLN   6           HA       GLN   6 -12.825   6.159   2.129
   35   1HB   GLN   6          1HB       GLN   6 -11.823   6.284   5.035
   36   2HB   GLN   6          2HB       GLN   6 -11.958   7.676   3.975
   37   1HG   GLN   6          1HG       GLN   6 -14.353   5.891   4.713
   38   2HG   GLN   6          2HG       GLN   6 -13.902   7.323   5.615
   39   1HE2  GLN   6          1HE2      GLN   6 -15.912   7.708   2.032
   40   2HE2  GLN   6          2HE2      GLN   6 -15.126   6.122   2.515
   41    H    GLN   7           H        GLN   7 -11.352   5.699   0.557
   42    HA   GLN   7           HA       GLN   7  -8.438   5.213   0.933
   43   1HB   GLN   7          1HB       GLN   7  -8.409   6.083  -1.578
   44   2HB   GLN   7          2HB       GLN   7  -9.021   4.492  -1.161
   45   1HG   GLN   7          1HG       GLN   7 -11.089   6.695  -1.203
   46   2HG   GLN   7          2HG       GLN   7 -10.364   6.309  -2.750
   47   1HE2  GLN   7          1HE2      GLN   7 -13.420   4.075  -1.979
   48   2HE2  GLN   7          2HE2      GLN   7 -13.110   5.883  -1.937
   49    H    ALA   8           H        ALA   8 -10.553   8.021   0.482
   50    HA   ALA   8           HA       ALA   8  -8.443  10.077   0.116
   51   1HB   ALA   8          1HB       ALA   8 -11.150  10.866   1.201
   52   2HB   ALA   8          2HB       ALA   8 -10.178  11.598  -0.090
   53   3HB   ALA   8          3HB       ALA   8 -11.105  10.110  -0.409
   54    H    GLU   9           H        GLU   9 -10.159   8.629   2.830
   55    HA   GLU   9           HA       GLU   9  -9.582  10.459   4.983
   56   1HB   GLU   9          1HB       GLU   9 -11.129   8.799   5.532
   57   2HB   GLU   9          2HB       GLU   9 -10.148   7.485   4.917
   58   1HG   GLU   9          1HG       GLU   9  -8.500   8.100   6.948
   59   2HG   GLU   9          2HG       GLU   9  -9.925   7.107   7.204
   60    H    ALA  10           H        ALA  10  -7.605   7.982   3.438
   61    HA   ALA  10           HA       ALA  10  -5.449   7.715   5.362
   62   1HB   ALA  10          1HB       ALA  10  -4.119   6.759   3.486
   63   2HB   ALA  10          2HB       ALA  10  -5.769   6.107   3.508
   64   3HB   ALA  10          3HB       ALA  10  -5.315   7.338   2.302
   65    NH1  ARG  11           NH1      ARG  11  -5.820  12.434  -3.447
   66    NH2  ARG  11           NH2      ARG  11  -5.348  14.329  -2.286
   67    H    ARG  11           H        ARG  11  -5.659   9.732   2.413
   68    HA   ARG  11           HA       ARG  11  -3.032  11.059   2.645
   69   1HB   ARG  11          1HB       ARG  11  -3.580  12.225   0.726
   70   2HB   ARG  11          2HB       ARG  11  -5.227  12.551   1.246
   71   1HG   ARG  11          1HG       ARG  11  -4.594   9.660   0.596
   72   2HG   ARG  11          2HG       ARG  11  -6.103  10.553   0.394
   73   1HD   ARG  11          1HD       ARG  11  -3.762  10.320  -1.492
   74   2HD   ARG  11          2HD       ARG  11  -5.481  10.461  -1.853
   75    HE   ARG  11           HE       ARG  11  -3.759  12.866  -1.063
   76   1HH1  ARG  11          1HH1      ARG  11  -6.331  13.049  -4.089
   77   2HH1  ARG  11          2HH1      ARG  11  -5.712  11.417  -3.525
   78   1HH2  ARG  11          1HH2      ARG  11  -4.916  14.754  -1.458
   79   2HH2  ARG  11          2HH2      ARG  11  -5.857  14.816  -3.032
   80    H    ALA  12           H        ALA  12  -6.302  11.775   3.770
   81    HA   ALA  12           HA       ALA  12  -6.089  14.505   4.642
   82   1HB   ALA  12          1HB       ALA  12  -7.930  14.022   6.243
   83   2HB   ALA  12          2HB       ALA  12  -8.241  13.279   4.661
   84   3HB   ALA  12          3HB       ALA  12  -7.701  12.270   6.027
   85    H    PHE  13           H        PHE  13  -4.935  11.531   6.154
   86    HA   PHE  13           HA       PHE  13  -4.327  12.688   8.823
   87   1HB   PHE  13          1HB       PHE  13  -3.538  10.018   7.524
   88   2HB   PHE  13          2HB       PHE  13  -4.865  10.297   8.621
   89    HD1  PHE  13           HD1      PHE  13  -1.192   9.843   8.343
   90    HD2  PHE  13           HD2      PHE  13  -4.397  10.677  11.094
   91    HE1  PHE  13           HE1      PHE  13   0.254   9.222  10.236
   92    HE2  PHE  13           HE2      PHE  13  -2.943  10.027  12.969
   93    HZ   PHE  13           HZ       PHE  13  -0.610   9.330  12.549
   94    H    LEU  14           H        LEU  14  -2.424  11.698   5.975
   95    HA   LEU  14           HA       LEU  14   0.193  12.692   6.989
   96   1HB   LEU  14          1HB       LEU  14  -0.279  12.270   4.021
   97   2HB   LEU  14          2HB       LEU  14   1.147  11.942   4.982
   98    HG   LEU  14           HG       LEU  14  -1.444  10.271   5.012
   99   1HD1  LEU  14          1HD1      LEU  14  -0.084   8.514   3.867
  100   2HD1  LEU  14          2HD1      LEU  14  -0.143   9.994   2.892
  101   3HD1  LEU  14          3HD1      LEU  14   1.328   9.601   3.817
  102   1HD2  LEU  14          1HD2      LEU  14   1.214   9.743   6.505
  103   2HD2  LEU  14          2HD2      LEU  14  -0.348  10.157   7.255
  104   3HD2  LEU  14          3HD2      LEU  14  -0.163   8.616   6.404
  105    H    SER  15           H        SER  15   1.384  14.225   5.331
  106    HA   SER  15           HA       SER  15  -0.247  16.794   5.097
  107   1HB   SER  15          1HB       SER  15   2.644  16.188   5.650
  108   2HB   SER  15          2HB       SER  15   2.330  17.622   4.669
  109    HG   SER  15           HG       SER  15   2.295  17.717   7.086
  110    H    GLU  16           H        GLU  16   0.507  18.216   3.232
  111    HA   GLU  16           HA       GLU  16  -0.087  16.867   0.659
  112   1HB   GLU  16          1HB       GLU  16   0.739  19.396  -0.099
  113   2HB   GLU  16          2HB       GLU  16   0.272  19.696   1.563
  114   1HG   GLU  16          1HG       GLU  16  -1.529  18.532  -0.654
  115   2HG   GLU  16          2HG       GLU  16  -2.020  18.609   1.030
  116    H    GLU  17           H        GLU  17   2.765  18.127   2.288
  117    HA   GLU  17           HA       GLU  17   4.612  17.690  -0.060
  118   1HB   GLU  17          1HB       GLU  17   5.065  19.671   1.207
  119   2HB   GLU  17          2HB       GLU  17   5.056  18.820   2.739
  120   1HG   GLU  17          1HG       GLU  17   7.215  17.729   2.247
  121   2HG   GLU  17          2HG       GLU  17   7.179  18.264   0.575
  122    H    MET  18           H        MET  18   3.795  16.262   3.064
  123    HA   MET  18           HA       MET  18   6.013  14.406   3.406
  124   1HB   MET  18          1HB       MET  18   4.490  14.905   5.272
  125   2HB   MET  18          2HB       MET  18   3.125  14.205   4.422
  126   1HG   MET  18          1HG       MET  18   4.403  11.926   4.468
  127   2HG   MET  18          2HG       MET  18   3.769  12.535   6.005
  128   1HE   MET  18          1HE       MET  18   6.979  11.051   7.481
  129   2HE   MET  18          2HE       MET  18   5.223  10.885   7.182
  130   3HE   MET  18          3HE       MET  18   6.393  10.302   5.961
  131    H    ILE  19           H        ILE  19   2.989  14.233   1.602
  132    HA   ILE  19           HA       ILE  19   2.894  11.398   0.955
  133    HB   ILE  19           HB       ILE  19   1.834  13.742  -0.704
  134   1HG1  ILE  19          1HG1      ILE  19   0.912  12.932   1.812
  135   2HG1  ILE  19          2HG1      ILE  19  -0.023  13.810   0.620
  136   1HG2  ILE  19          1HG2      ILE  19   0.401  12.076  -1.906
  137   2HG2  ILE  19          2HG2      ILE  19   2.106  11.706  -2.155
  138   3HG2  ILE  19          3HG2      ILE  19   1.157  10.740  -1.002
  139   1HD1  ILE  19          1HD1      ILE  19  -0.118  10.758   0.981
  140   2HD1  ILE  19          2HD1      ILE  19  -1.368  11.944   1.407
  141   3HD1  ILE  19          3HD1      ILE  19  -0.970  11.657  -0.303
  142    H    ALA  20           H        ALA  20   4.502  14.153  -0.619
  143    HA   ALA  20           HA       ALA  20   5.478  12.929  -3.027
  144   1HB   ALA  20          1HB       ALA  20   6.714  14.858  -3.343
  145   2HB   ALA  20          2HB       ALA  20   5.615  15.444  -2.079
  146   3HB   ALA  20          3HB       ALA  20   7.277  14.958  -1.658
  147    H    GLU  21           H        GLU  21   6.758  12.861   0.268
  148    HA   GLU  21           HA       GLU  21   9.397  11.676  -0.390
  149   1HB   GLU  21          1HB       GLU  21   8.189  12.849   1.930
  150   2HB   GLU  21          2HB       GLU  21   8.656  11.227   2.399
  151   1HG   GLU  21          1HG       GLU  21  10.362  13.252   2.677
  152   2HG   GLU  21          2HG       GLU  21  10.671  13.042   0.961
  153    H    PHE  22           H        PHE  22   6.272  10.478   0.766
  154    HA   PHE  22           HA       PHE  22   6.868   7.699   1.274
  155   1HB   PHE  22          1HB       PHE  22   4.350   7.391   0.351
  156   2HB   PHE  22          2HB       PHE  22   4.327   9.134   0.394
  157    HD1  PHE  22           HD1      PHE  22   3.901  10.265   2.495
  158    HD2  PHE  22           HD2      PHE  22   5.059   6.119   2.569
  159    HE1  PHE  22           HE1      PHE  22   3.398  10.156   4.900
  160    HE2  PHE  22           HE2      PHE  22   4.533   6.027   4.971
  161    HZ   PHE  22           HZ       PHE  22   3.677   8.032   6.134
  162    H    LYS  23           H        LYS  23   5.912   9.337  -1.744
  163    HA   LYS  23           HA       LYS  23   5.673   7.160  -3.572
  164   1HB   LYS  23          1HB       LYS  23   7.054   9.735  -4.474
  165   2HB   LYS  23          2HB       LYS  23   5.382   9.782  -3.956
  166   1HG   LYS  23          1HG       LYS  23   6.608   8.580  -6.438
  167   2HG   LYS  23          2HG       LYS  23   5.256   7.688  -5.769
  168   1HD   LYS  23          1HD       LYS  23   3.753   9.661  -5.987
  169   2HD   LYS  23          2HD       LYS  23   5.114  10.691  -6.398
  170   1HE   LYS  23          1HE       LYS  23   3.751   8.601  -8.149
  171   2HE   LYS  23          2HE       LYS  23   4.124  10.285  -8.525
  172   1HZ   LYS  23          1HZ       LYS  23   5.733   9.156  -9.692
  173   2HZ   LYS  23          2HZ       LYS  23   6.581   9.422  -8.300
  174   3HZ   LYS  23          3HZ       LYS  23   5.907   7.942  -8.585
  175    H    ALA  24           H        ALA  24   8.596   8.893  -2.522
  176    HA   ALA  24           HA       ALA  24  10.618   7.878  -4.235
  177   1HB   ALA  24          1HB       ALA  24  12.245   8.287  -2.399
  178   2HB   ALA  24          2HB       ALA  24  11.069   9.609  -2.520
  179   3HB   ALA  24          3HB       ALA  24  10.924   8.408  -1.212
  180    H    ALA  25           H        ALA  25   9.573   6.441  -1.126
  181    HA   ALA  25           HA       ALA  25  11.324   4.114  -1.132
  182   1HB   ALA  25          1HB       ALA  25   9.838   3.211   0.649
  183   2HB   ALA  25          2HB       ALA  25  10.211   4.922   0.929
  184   3HB   ALA  25          3HB       ALA  25   8.611   4.452   0.299
  185    H    PHE  26           H        PHE  26   8.152   4.718  -2.531
  186    HA   PHE  26           HA       PHE  26   7.275   1.975  -3.043
  187   1HB   PHE  26          1HB       PHE  26   6.473   4.352  -4.801
  188   2HB   PHE  26          2HB       PHE  26   5.922   4.242  -3.150
  189    HD1  PHE  26           HD1      PHE  26   4.086   4.247  -5.574
  190    HD2  PHE  26           HD2      PHE  26   5.866   0.942  -3.472
  191    HE1  PHE  26           HE1      PHE  26   2.176   2.817  -6.182
  192    HE2  PHE  26           HE2      PHE  26   3.982  -0.490  -4.147
  193    HZ   PHE  26           HZ       PHE  26   2.124   0.448  -5.479
  194    H    ASP  27           H        ASP  27   9.152   4.333  -4.913
  195    HA   ASP  27           HA       ASP  27   9.365   2.715  -7.384
  196   1HB   ASP  27          1HB       ASP  27   9.573   5.312  -7.163
  197   2HB   ASP  27          2HB       ASP  27  11.230   5.035  -6.678
  198    H    MET  28           H        MET  28  11.171   2.955  -4.410
  199    HA   MET  28           HA       MET  28  13.736   1.819  -5.207
  200   1HB   MET  28          1HB       MET  28  12.309   2.046  -2.549
  201   2HB   MET  28          2HB       MET  28  13.599   0.862  -2.661
  202   1HG   MET  28          1HG       MET  28  15.260   2.589  -3.267
  203   2HG   MET  28          2HG       MET  28  13.995   3.815  -3.447
  204   1HE   MET  28          1HE       MET  28  14.410   5.596  -0.345
  205   2HE   MET  28          2HE       MET  28  15.954   5.141  -1.123
  206   3HE   MET  28          3HE       MET  28  14.523   5.505  -2.131
  207    H    PHE  29           H        PHE  29  10.626   0.366  -4.386
  208    HA   PHE  29           HA       PHE  29  11.732  -2.469  -4.816
  209   1HB   PHE  29          1HB       PHE  29   9.083  -1.642  -3.462
  210   2HB   PHE  29          2HB       PHE  29   9.600  -3.280  -3.747
  211    HD1  PHE  29           HD1      PHE  29  12.679  -1.923  -2.994
  212    HD2  PHE  29           HD2      PHE  29   8.924  -2.683  -1.031
  213    HE1  PHE  29           HE1      PHE  29  13.828  -2.058  -0.821
  214    HE2  PHE  29           HE2      PHE  29  10.091  -2.803   1.131
  215    HZ   PHE  29           HZ       PHE  29  12.538  -2.491   1.242
  216    H    ASP  30           H        ASP  30  11.150  -0.490  -6.895
  217    HA   ASP  30           HA       ASP  30   9.029  -2.015  -8.477
  218   1HB   ASP  30          1HB       ASP  30   9.143   1.001  -8.835
  219   2HB   ASP  30          2HB       ASP  30   8.287   0.358  -7.453
  220    H    ALA  31           H        ALA  31   9.660  -2.527 -10.450
  221    HA   ALA  31           HA       ALA  31  12.406  -2.320 -11.372
  222   1HB   ALA  31          1HB       ALA  31  11.571  -3.304 -13.511
  223   2HB   ALA  31          2HB       ALA  31  10.903  -4.143 -12.097
  224   3HB   ALA  31          3HB       ALA  31   9.885  -3.009 -13.022
  225    H    ASP  32           H        ASP  32   9.769  -1.159 -13.413
  226    HA   ASP  32           HA       ASP  32  10.764   1.672 -13.597
  227   1HB   ASP  32          1HB       ASP  32  11.459  -0.343 -15.752
  228   2HB   ASP  32          2HB       ASP  32  12.417   0.954 -15.075
  229    H    GLY  33           H        GLY  33   8.960   2.759 -13.586
  230   1HA   GLY  33          1HA       GLY  33   6.371   1.611 -14.728
  231   2HA   GLY  33          2HA       GLY  33   6.896   3.180 -15.348
  232    H    GLY  34           H        GLY  34   6.210   1.455 -12.307
  233   1HA   GLY  34          1HA       GLY  34   5.721   4.027 -10.758
  234   2HA   GLY  34          2HA       GLY  34   5.738   2.391 -10.085
  235    H    GLY  35           H        GLY  35   3.919   1.232  -9.933
  236   1HA   GLY  35          1HA       GLY  35   1.455   1.232 -11.356
  237   2HA   GLY  35          2HA       GLY  35   1.279   2.622 -10.280
  238    H    ASP  36           H        ASP  36   2.817  -0.560  -9.814
  239    HA   ASP  36           HA       ASP  36   1.521  -0.987  -7.134
  240   1HB   ASP  36          1HB       ASP  36   0.418  -3.182  -7.837
  241   2HB   ASP  36          2HB       ASP  36  -0.395  -1.704  -8.298
  242    H    ILE  37           H        ILE  37   2.048  -3.339  -6.441
  243    HA   ILE  37           HA       ILE  37   4.643  -4.470  -7.548
  244    HB   ILE  37           HB       ILE  37   5.104  -4.412  -4.746
  245   1HG1  ILE  37          1HG1      ILE  37   4.876  -1.482  -5.601
  246   2HG1  ILE  37          2HG1      ILE  37   3.451  -2.277  -4.967
  247   1HG2  ILE  37          1HG2      ILE  37   7.204  -3.227  -5.391
  248   2HG2  ILE  37          2HG2      ILE  37   6.835  -4.496  -6.567
  249   3HG2  ILE  37          3HG2      ILE  37   6.517  -2.793  -6.975
  250   1HD1  ILE  37          1HD1      ILE  37   6.085  -1.960  -3.415
  251   2HD1  ILE  37          2HD1      ILE  37   4.547  -1.118  -3.133
  252   3HD1  ILE  37          3HD1      ILE  37   4.663  -2.867  -2.831
  253    H    SER  38           H        SER  38   5.146  -6.270  -5.563
  254    HA   SER  38           HA       SER  38   2.833  -8.192  -5.692
  255   1HB   SER  38          1HB       SER  38   5.220  -8.960  -4.059
  256   2HB   SER  38          2HB       SER  38   5.575  -8.553  -5.739
  257    HG   SER  38           HG       SER  38   4.961 -10.758  -5.277
  258    H    THR  39           H        THR  39   2.094  -9.284  -3.753
  259    HA   THR  39           HA       THR  39   1.308  -7.381  -1.586
  260    HB   THR  39           HB       THR  39  -0.285  -9.063  -2.565
  261    HG1  THR  39           HG1      THR  39  -0.352  -8.008  -0.432
  262   1HG2  THR  39          1HG2      THR  39  -0.380 -11.366  -1.718
  263   2HG2  THR  39          2HG2      THR  39   1.169 -11.135  -2.561
  264   3HG2  THR  39          3HG2      THR  39   1.115 -11.149  -0.779
  265    H    LYS  40           H        LYS  40   3.558 -10.042  -2.036
  266    HA   LYS  40           HA       LYS  40   4.121 -10.663   0.779
  267   1HB   LYS  40          1HB       LYS  40   5.346 -11.377  -1.872
  268   2HB   LYS  40          2HB       LYS  40   6.466 -11.410  -0.527
  269   1HG   LYS  40          1HG       LYS  40   5.446 -13.248   0.481
  270   2HG   LYS  40          2HG       LYS  40   3.834 -12.814  -0.051
  271   1HD   LYS  40          1HD       LYS  40   4.025 -14.532  -1.560
  272   2HD   LYS  40          2HD       LYS  40   5.027 -13.428  -2.488
  273   1HE   LYS  40          1HE       LYS  40   6.462 -15.262  -2.411
  274   2HE   LYS  40          2HE       LYS  40   5.899 -15.813  -0.833
  275   1HZ   LYS  40          1HZ       LYS  40   8.207 -14.785  -0.977
  276   2HZ   LYS  40          2HZ       LYS  40   7.476 -13.310  -1.114
  277   3HZ   LYS  40          3HZ       LYS  40   7.246 -14.224   0.243
  278    H    GLU  41           H        GLU  41   5.392  -8.339  -1.539
  279    HA   GLU  41           HA       GLU  41   7.777  -7.552   0.112
  280   1HB   GLU  41          1HB       GLU  41   8.250  -5.897  -1.657
  281   2HB   GLU  41          2HB       GLU  41   6.704  -6.205  -2.422
  282   1HG   GLU  41          1HG       GLU  41   8.594  -7.330  -3.617
  283   2HG   GLU  41          2HG       GLU  41   7.383  -8.482  -3.082
  284    H    LEU  42           H        LEU  42   4.559  -6.309  -0.667
  285    HA   LEU  42           HA       LEU  42   4.438  -3.681   0.174
  286   1HB   LEU  42          1HB       LEU  42   2.360  -4.454  -0.481
  287   2HB   LEU  42          2HB       LEU  42   2.493  -5.962   0.399
  288    HG   LEU  42           HG       LEU  42   2.209  -4.392   2.574
  289   1HD1  LEU  42          1HD1      LEU  42   0.698  -2.434   2.140
  290   2HD1  LEU  42          2HD1      LEU  42   2.283  -2.202   1.386
  291   3HD1  LEU  42          3HD1      LEU  42   0.884  -2.661   0.382
  292   1HD2  LEU  42          1HD2      LEU  42  -0.176  -5.118   0.744
  293   2HD2  LEU  42          2HD2      LEU  42   0.602  -6.199   1.925
  294   3HD2  LEU  42          3HD2      LEU  42  -0.265  -4.759   2.488
  295    H    GLY  43           H        GLY  43   4.203  -6.472   2.405
  296   1HA   GLY  43          1HA       GLY  43   4.241  -5.267   5.000
  297   2HA   GLY  43          2HA       GLY  43   5.083  -6.778   4.637
  298    H    THR  44           H        THR  44   7.198  -6.490   3.413
  299    HA   THR  44           HA       THR  44   9.232  -5.386   4.916
  300    HB   THR  44           HB       THR  44   9.143  -5.848   1.921
  301    HG1  THR  44           HG1      THR  44  10.760  -7.376   2.669
  302   1HG2  THR  44          1HG2      THR  44  11.623  -5.554   1.795
  303   2HG2  THR  44          2HG2      THR  44  10.810  -4.010   2.124
  304   3HG2  THR  44          3HG2      THR  44  11.640  -4.875   3.442
  305    H    VAL  45           H        VAL  45   7.161  -3.651   2.693
  306    HA   VAL  45           HA       VAL  45   8.725  -1.221   2.290
  307    HB   VAL  45           HB       VAL  45   5.671  -1.311   2.223
  308   1HG1  VAL  45          1HG1      VAL  45   5.896   0.480   0.499
  309   2HG1  VAL  45          2HG1      VAL  45   6.646   0.989   2.017
  310   3HG1  VAL  45          3HG1      VAL  45   7.671   0.455   0.666
  311   1HG2  VAL  45          1HG2      VAL  45   7.580  -2.100  -0.077
  312   2HG2  VAL  45          2HG2      VAL  45   6.482  -3.201   0.787
  313   3HG2  VAL  45          3HG2      VAL  45   5.814  -1.897  -0.205
  314    H    MET  46           H        MET  46   5.969  -1.868   4.493
  315    HA   MET  46           HA       MET  46   6.010   0.670   5.916
  316   1HB   MET  46          1HB       MET  46   4.650  -0.496   7.699
  317   2HB   MET  46          2HB       MET  46   4.008  -0.622   6.071
  318   1HG   MET  46          1HG       MET  46   4.495  -2.957   5.893
  319   2HG   MET  46          2HG       MET  46   5.740  -2.903   7.151
  320   1HE   MET  46          1HE       MET  46   2.671  -5.198   8.022
  321   2HE   MET  46          2HE       MET  46   4.291  -5.072   7.274
  322   3HE   MET  46          3HE       MET  46   4.131  -5.082   9.055
  323    NH1  ARG  47           NH1      ARG  47  10.615  -8.514   9.812
  324    NH2  ARG  47           NH2      ARG  47  11.854  -8.358   7.914
  325    H    ARG  47           H        ARG  47   7.739  -2.363   6.396
  326    HA   ARG  47           HA       ARG  47   8.754  -1.882   9.129
  327   1HB   ARG  47          1HB       ARG  47   8.728  -4.087   7.418
  328   2HB   ARG  47          2HB       ARG  47  10.419  -3.613   7.338
  329   1HG   ARG  47          1HG       ARG  47   9.138  -3.824  10.095
  330   2HG   ARG  47          2HG       ARG  47  10.833  -4.005   9.640
  331   1HD   ARG  47          1HD       ARG  47   8.781  -6.018   8.570
  332   2HD   ARG  47          2HD       ARG  47   9.354  -6.171  10.229
  333    HE   ARG  47           HE       ARG  47  11.633  -5.903   8.342
  334   1HH1  ARG  47          1HH1      ARG  47  10.898  -9.500   9.821
  335   2HH1  ARG  47          2HH1      ARG  47  10.000  -8.044  10.485
  336   1HH2  ARG  47          1HH2      ARG  47  12.173  -7.775   7.132
  337   2HH2  ARG  47          2HH2      ARG  47  12.068  -9.350   8.068
  338    H    MET  48           H        MET  48   9.970  -1.221   5.870
  339    HA   MET  48           HA       MET  48  12.617  -0.144   6.848
  340   1HB   MET  48          1HB       MET  48  12.011  -1.465   4.547
  341   2HB   MET  48          2HB       MET  48  11.753   0.169   3.959
  342   1HG   MET  48          1HG       MET  48  14.377  -0.600   5.373
  343   2HG   MET  48          2HG       MET  48  14.062   0.815   4.356
  344   1HE   MET  48          1HE       MET  48  16.585  -1.468   2.241
  345   2HE   MET  48          2HE       MET  48  16.239   0.234   2.663
  346   3HE   MET  48          3HE       MET  48  16.539  -0.961   3.959
  347    H    LEU  49           H        LEU  49   9.731   1.098   7.234
  348    HA   LEU  49           HA       LEU  49  10.473   3.968   6.445
  349   1HB   LEU  49          1HB       LEU  49   7.767   2.633   6.990
  350   2HB   LEU  49          2HB       LEU  49   7.956   4.371   7.084
  351    HG   LEU  49           HG       LEU  49   8.520   2.656   4.580
  352   1HD1  LEU  49          1HD1      LEU  49   6.443   3.677   3.636
  353   2HD1  LEU  49          2HD1      LEU  49   6.075   2.767   5.112
  354   3HD1  LEU  49          3HD1      LEU  49   6.142   4.546   5.162
  355   1HD2  LEU  49          1HD2      LEU  49   8.539   5.737   4.865
  356   2HD2  LEU  49          2HD2      LEU  49   9.955   4.702   4.557
  357   3HD2  LEU  49          3HD2      LEU  49   8.682   4.835   3.335
  358    H    GLY  50           H        GLY  50   9.516   1.747   9.017
  359   1HA   GLY  50          1HA       GLY  50  11.094   2.384  11.163
  360   2HA   GLY  50          2HA       GLY  50  10.086   3.836  11.168
  361    H    GLN  51           H        GLN  51   9.428   0.363  10.671
  362    HA   GLN  51           HA       GLN  51   7.689   0.266  13.180
  363   1HB   GLN  51          1HB       GLN  51   6.700  -0.656  10.415
  364   2HB   GLN  51          2HB       GLN  51   5.928  -1.052  11.940
  365   1HG   GLN  51          1HG       GLN  51   6.053   1.729  12.143
  366   2HG   GLN  51          2HG       GLN  51   5.896   1.536  10.409
  367   1HE2  GLN  51          1HE2      GLN  51   2.470   1.594  12.209
  368   2HE2  GLN  51          2HE2      GLN  51   3.937   2.695  12.150
  369    H    ASN  52           H        ASN  52   7.550  -1.802  14.056
  370    HA   ASN  52           HA       ASN  52   9.598  -3.812  13.018
  371   1HB   ASN  52          1HB       ASN  52   9.930  -4.247  15.641
  372   2HB   ASN  52          2HB       ASN  52  10.847  -3.033  14.774
  373   1HD2  ASN  52          1HD2      ASN  52   7.975  -1.938  17.593
  374   2HD2  ASN  52          2HD2      ASN  52   8.142  -3.660  16.983
  375    HA   PRO  53           HA       PRO  53   5.424  -5.987  14.321
  376   1HB   PRO  53          1HB       PRO  53   4.324  -6.643  11.886
  377   2HB   PRO  53          2HB       PRO  53   4.087  -5.079  12.681
  378   1HG   PRO  53          1HG       PRO  53   4.933  -4.313  10.624
  379   2HG   PRO  53          2HG       PRO  53   6.013  -5.705  10.377
  380   1HD   PRO  53          1HD       PRO  53   7.647  -4.226  11.276
  381   2HD   PRO  53          2HD       PRO  53   6.405  -3.195  12.048
  382    H    THR  54           H        THR  54   4.773  -8.298  13.217
  383    HA   THR  54           HA       THR  54   7.355  -9.938  13.128
  384    HB   THR  54           HB       THR  54   4.634 -11.040  13.963
  385    HG1  THR  54           HG1      THR  54   5.192 -10.646  16.000
  386   1HG2  THR  54          1HG2      THR  54   5.938 -12.833  15.060
  387   2HG2  THR  54          2HG2      THR  54   6.331 -12.781  13.326
  388   3HG2  THR  54          3HG2      THR  54   7.472 -12.110  14.519
  389    H    LYS  55           H        LYS  55   7.347 -11.803  11.758
  390    HA   LYS  55           HA       LYS  55   6.475 -11.254   9.003
  391   1HB   LYS  55          1HB       LYS  55   8.521 -12.568   9.477
  392   2HB   LYS  55          2HB       LYS  55   7.595 -13.838  10.250
  393   1HG   LYS  55          1HG       LYS  55   6.731 -13.259   7.437
  394   2HG   LYS  55          2HG       LYS  55   6.955 -14.797   8.245
  395   1HD   LYS  55          1HD       LYS  55   9.448 -13.173   7.521
  396   2HD   LYS  55          2HD       LYS  55   9.269 -14.906   7.744
  397   1HE   LYS  55          1HE       LYS  55   8.833 -13.282   5.271
  398   2HE   LYS  55          2HE       LYS  55   9.341 -14.965   5.433
  399   1HZ   LYS  55          1HZ       LYS  55   7.245 -15.155   4.528
  400   2HZ   LYS  55          2HZ       LYS  55   6.848 -15.293   6.126
  401   3HZ   LYS  55          3HZ       LYS  55   6.608 -13.862   5.336
  402    H    GLU  56           H        GLU  56   5.250 -13.229  11.655
  403    HA   GLU  56           HA       GLU  56   3.265 -14.820  10.239
  404   1HB   GLU  56          1HB       GLU  56   4.114 -15.240  12.591
  405   2HB   GLU  56          2HB       GLU  56   2.402 -15.492  12.316
  406   1HG   GLU  56          1HG       GLU  56   3.737 -13.189  13.853
  407   2HG   GLU  56          2HG       GLU  56   2.075 -13.053  13.303
  408    H    GLU  57           H        GLU  57   3.225 -11.562  11.574
  409    HA   GLU  57           HA       GLU  57   0.303 -11.071  11.398
  410   1HB   GLU  57          1HB       GLU  57   2.447  -8.893  11.427
  411   2HB   GLU  57          2HB       GLU  57   0.762  -8.751  11.885
  412   1HG   GLU  57          1HG       GLU  57   3.048 -10.080  13.429
  413   2HG   GLU  57          2HG       GLU  57   1.397 -10.581  13.756
  414    H    LEU  58           H        LEU  58   3.096 -10.660   9.286
  415    HA   LEU  58           HA       LEU  58   2.009  -9.060   7.142
  416   1HB   LEU  58          1HB       LEU  58   4.446 -10.044   7.510
  417   2HB   LEU  58          2HB       LEU  58   3.875 -11.419   6.589
  418    HG   LEU  58           HG       LEU  58   4.269  -8.535   5.646
  419   1HD1  LEU  58          1HD1      LEU  58   2.712 -10.634   4.008
  420   2HD1  LEU  58          2HD1      LEU  58   1.935  -9.313   4.892
  421   3HD1  LEU  58          3HD1      LEU  58   3.052  -8.944   3.556
  422   1HD2  LEU  58          1HD2      LEU  58   5.654  -9.567   3.879
  423   2HD2  LEU  58          2HD2      LEU  58   6.172 -10.230   5.450
  424   3HD2  LEU  58          3HD2      LEU  58   5.155 -11.205   4.373
  425    H    ASP  59           H        ASP  59   1.729 -12.509   7.861
  426    HA   ASP  59           HA       ASP  59   0.448 -13.344   5.343
  427   1HB   ASP  59          1HB       ASP  59   0.600 -14.747   8.065
  428   2HB   ASP  59          2HB       ASP  59  -0.246 -15.434   6.698
  429    H    ALA  60           H        ALA  60  -0.701 -12.138   8.441
  430    HA   ALA  60           HA       ALA  60  -3.541 -12.806   8.207
  431   1HB   ALA  60          1HB       ALA  60  -3.883 -11.161  10.046
  432   2HB   ALA  60          2HB       ALA  60  -2.508 -12.231  10.380
  433   3HB   ALA  60          3HB       ALA  60  -2.222 -10.553   9.853
  434    H    ILE  61           H        ILE  61  -1.863  -9.668   7.749
  435    HA   ILE  61           HA       ILE  61  -3.938  -8.036   6.770
  436    HB   ILE  61           HB       ILE  61  -0.973  -7.961   6.437
  437   1HG1  ILE  61          1HG1      ILE  61  -1.814  -5.337   6.858
  438   2HG1  ILE  61          2HG1      ILE  61  -3.153  -6.205   7.579
  439   1HG2  ILE  61          1HG2      ILE  61  -0.982  -6.110   4.744
  440   2HG2  ILE  61          2HG2      ILE  61  -1.629  -7.594   4.047
  441   3HG2  ILE  61          3HG2      ILE  61  -2.740  -6.291   4.528
  442   1HD1  ILE  61          1HD1      ILE  61  -0.223  -6.516   8.459
  443   2HD1  ILE  61          2HD1      ILE  61  -1.542  -5.707   9.332
  444   3HD1  ILE  61          3HD1      ILE  61  -1.588  -7.470   9.101
  445    H    ILE  62           H        ILE  62  -2.044 -10.529   5.155
  446    HA   ILE  62           HA       ILE  62  -2.831 -10.001   2.358
  447    HB   ILE  62           HB       ILE  62  -1.621 -12.433   3.733
  448   1HG1  ILE  62          1HG1      ILE  62  -0.278 -10.236   2.980
  449   2HG1  ILE  62          2HG1      ILE  62  -0.429 -10.891   1.364
  450   1HG2  ILE  62          1HG2      ILE  62  -1.471 -13.614   1.526
  451   2HG2  ILE  62          2HG2      ILE  62  -3.156 -13.365   1.975
  452   3HG2  ILE  62          3HG2      ILE  62  -2.411 -12.318   0.746
  453   1HD1  ILE  62          1HD1      ILE  62   0.815 -12.953   1.951
  454   2HD1  ILE  62          2HD1      ILE  62   1.748 -11.509   2.395
  455   3HD1  ILE  62          3HD1      ILE  62   0.908 -12.438   3.658
  456    H    GLU  63           H        GLU  63  -3.997 -12.253   4.870
  457    HA   GLU  63           HA       GLU  63  -6.072 -13.634   3.496
  458   1HB   GLU  63          1HB       GLU  63  -7.218 -13.237   6.032
  459   2HB   GLU  63          2HB       GLU  63  -5.504 -13.048   6.346
  460   1HG   GLU  63          1HG       GLU  63  -5.186 -15.339   5.070
  461   2HG   GLU  63          2HG       GLU  63  -6.930 -15.512   5.183
  462    H    GLU  64           H        GLU  64  -6.141 -10.413   4.975
  463    HA   GLU  64           HA       GLU  64  -9.045  -9.924   4.611
  464   1HB   GLU  64          1HB       GLU  64  -7.764  -8.805   6.402
  465   2HB   GLU  64          2HB       GLU  64  -6.781  -7.954   5.227
  466   1HG   GLU  64          1HG       GLU  64  -8.397  -6.352   5.994
  467   2HG   GLU  64          2HG       GLU  64  -8.920  -6.788   4.376
  468    H    VAL  65           H        VAL  65  -6.087  -9.172   2.825
  469    HA   VAL  65           HA       VAL  65  -7.695  -7.833   0.587
  470    HB   VAL  65           HB       VAL  65  -4.723  -7.479   0.579
  471   1HG1  VAL  65          1HG1      VAL  65  -5.334  -5.171  -0.168
  472   2HG1  VAL  65          2HG1      VAL  65  -6.166  -6.392  -1.149
  473   3HG1  VAL  65          3HG1      VAL  65  -7.061  -5.507   0.110
  474   1HG2  VAL  65          1HG2      VAL  65  -6.419  -5.996   2.704
  475   2HG2  VAL  65          2HG2      VAL  65  -5.098  -7.144   3.026
  476   3HG2  VAL  65          3HG2      VAL  65  -4.746  -5.597   2.243
  477    H    ASP  66           H        ASP  66  -7.528 -10.663   1.024
  478    HA   ASP  66           HA       ASP  66  -6.726 -11.464  -1.756
  479   1HB   ASP  66          1HB       ASP  66  -5.467 -13.174   0.435
  480   2HB   ASP  66          2HB       ASP  66  -4.637 -11.748  -0.143
  481    H    GLU  67           H        GLU  67  -9.126 -11.156  -0.239
  482    HA   GLU  67           HA       GLU  67 -10.272 -13.852   0.378
  483   1HB   GLU  67          1HB       GLU  67 -12.513 -12.377   0.120
  484   2HB   GLU  67          2HB       GLU  67 -11.546 -12.441   1.580
  485   1HG   GLU  67          1HG       GLU  67 -10.688 -10.244   1.294
  486   2HG   GLU  67          2HG       GLU  67 -10.873 -10.268  -0.452
  487    H    ASP  68           H        ASP  68 -10.326 -11.522  -2.301
  488    HA   ASP  68           HA       ASP  68 -10.743 -13.723  -4.318
  489   1HB   ASP  68          1HB       ASP  68 -12.727 -11.555  -4.821
  490   2HB   ASP  68          2HB       ASP  68 -12.837 -13.280  -5.083
  491    H    GLY  69           H        GLY  69 -10.623 -12.823  -6.549
  492   1HA   GLY  69          1HA       GLY  69  -9.382 -10.135  -7.008
  493   2HA   GLY  69          2HA       GLY  69  -9.634 -11.381  -8.234
  494    H    SER  70           H        SER  70  -7.328  -9.942  -8.167
  495    HA   SER  70           HA       SER  70  -5.267 -12.100  -8.073
  496   1HB   SER  70          1HB       SER  70  -4.628  -9.199  -8.748
  497   2HB   SER  70          2HB       SER  70  -3.893 -10.681  -9.364
  498    HG   SER  70           HG       SER  70  -6.107 -11.123 -10.202
  499    H    GLY  71           H        GLY  71  -2.964 -11.032  -7.369
  500   1HA   GLY  71          1HA       GLY  71  -3.240 -10.269  -4.399
  501   2HA   GLY  71          2HA       GLY  71  -1.965 -11.325  -5.015
  502    H    THR  72           H        THR  72  -3.296  -8.149  -5.965
  503    HA   THR  72           HA       THR  72  -0.480  -6.979  -5.937
  504    HB   THR  72           HB       THR  72  -1.349  -5.473  -7.911
  505    HG1  THR  72           HG1      THR  72  -2.636  -6.944  -9.278
  506   1HG2  THR  72          1HG2      THR  72  -0.726  -8.321  -8.824
  507   2HG2  THR  72          2HG2      THR  72  -0.243  -6.777  -9.561
  508   3HG2  THR  72          3HG2      THR  72   0.540  -7.335  -8.060
  509    H    ILE  73           H        ILE  73  -0.444  -4.630  -5.707
  510    HA   ILE  73           HA       ILE  73  -2.854  -3.358  -4.441
  511    HB   ILE  73           HB       ILE  73  -1.482  -4.658  -2.656
  512   1HG1  ILE  73          1HG1      ILE  73  -3.377  -2.754  -2.476
  513   2HG1  ILE  73          2HG1      ILE  73  -2.068  -1.811  -1.786
  514   1HG2  ILE  73          1HG2      ILE  73   0.337  -3.480  -1.478
  515   2HG2  ILE  73          2HG2      ILE  73   0.813  -3.725  -3.164
  516   3HG2  ILE  73          3HG2      ILE  73   0.273  -2.118  -2.621
  517   1HD1  ILE  73          1HD1      ILE  73  -3.152  -4.458  -0.646
  518   2HD1  ILE  73          2HD1      ILE  73  -1.669  -3.671  -0.064
  519   3HD1  ILE  73          3HD1      ILE  73  -3.230  -2.829   0.081
  520    H    ASP  74           H        ASP  74  -2.835  -1.139  -4.501
  521    HA   ASP  74           HA       ASP  74  -0.688   0.137  -6.262
  522   1HB   ASP  74          1HB       ASP  74  -2.393   1.888  -6.812
  523   2HB   ASP  74          2HB       ASP  74  -2.813   0.277  -7.349
  524    H    PHE  75           H        PHE  75  -0.819   2.692  -5.821
  525    HA   PHE  75           HA       PHE  75   0.583   3.052  -3.228
  526   1HB   PHE  75          1HB       PHE  75  -0.251   5.292  -5.153
  527   2HB   PHE  75          2HB       PHE  75   1.087   4.229  -5.506
  528    HD1  PHE  75           HD1      PHE  75   0.596   7.413  -4.553
  529    HD2  PHE  75           HD2      PHE  75   2.519   3.928  -2.917
  530    HE1  PHE  75           HE1      PHE  75   2.062   8.847  -3.194
  531    HE2  PHE  75           HE2      PHE  75   3.973   5.381  -1.562
  532    HZ   PHE  75           HZ       PHE  75   3.767   7.837  -1.716
  533    H    GLU  76           H        GLU  76  -2.653   3.565  -4.458
  534    HA   GLU  76           HA       GLU  76  -3.632   5.527  -2.515
  535   1HB   GLU  76          1HB       GLU  76  -5.965   4.484  -3.180
  536   2HB   GLU  76          2HB       GLU  76  -5.055   3.564  -4.362
  537   1HG   GLU  76          1HG       GLU  76  -4.704   6.606  -4.294
  538   2HG   GLU  76          2HG       GLU  76  -4.472   5.502  -5.639
  539    H    GLU  77           H        GLU  77  -4.682   2.128  -2.735
  540    HA   GLU  77           HA       GLU  77  -5.611   1.701  -0.053
  541   1HB   GLU  77          1HB       GLU  77  -4.195  -0.451  -1.708
  542   2HB   GLU  77          2HB       GLU  77  -5.300  -0.701  -0.370
  543   1HG   GLU  77          1HG       GLU  77  -7.093   0.567  -1.861
  544   2HG   GLU  77          2HG       GLU  77  -5.965   0.331  -3.185
  545    H    PHE  78           H        PHE  78  -2.347   1.734  -1.363
  546    HA   PHE  78           HA       PHE  78  -0.846   0.513   0.779
  547   1HB   PHE  78          1HB       PHE  78  -0.128   2.520  -1.389
  548   2HB   PHE  78          2HB       PHE  78   0.367   0.856  -1.218
  549    HD1  PHE  78           HD1      PHE  78   1.140   1.336   1.924
  550    HD2  PHE  78           HD2      PHE  78   2.163   3.338  -1.744
  551    HE1  PHE  78           HE1      PHE  78   3.319   1.981   2.871
  552    HE2  PHE  78           HE2      PHE  78   4.356   3.932  -0.798
  553    HZ   PHE  78           HZ       PHE  78   4.924   3.287   1.519
  554    H    LEU  79           H        LEU  79  -1.721   3.935   0.247
  555    HA   LEU  79           HA       LEU  79  -0.549   5.038   2.728
  556   1HB   LEU  79          1HB       LEU  79  -2.199   6.983   2.274
  557   2HB   LEU  79          2HB       LEU  79  -2.745   6.102   0.863
  558    HG   LEU  79           HG       LEU  79  -0.395   6.185  -0.097
  559   1HD1  LEU  79          1HD1      LEU  79  -0.462   8.600  -0.733
  560   2HD1  LEU  79          2HD1      LEU  79  -2.092   7.901  -0.767
  561   3HD1  LEU  79          3HD1      LEU  79  -1.604   8.945   0.591
  562   1HD2  LEU  79          1HD2      LEU  79   0.232   8.008   2.321
  563   2HD2  LEU  79          2HD2      LEU  79   0.953   6.412   1.993
  564   3HD2  LEU  79          3HD2      LEU  79   1.285   7.767   0.904
  565    H    VAL  80           H        VAL  80  -3.579   3.492   1.861
  566    HA   VAL  80           HA       VAL  80  -5.200   4.353   4.152
  567    HB   VAL  80           HB       VAL  80  -5.570   2.043   2.190
  568   1HG1  VAL  80          1HG1      VAL  80  -7.248   4.610   2.501
  569   2HG1  VAL  80          2HG1      VAL  80  -5.891   4.475   1.374
  570   3HG1  VAL  80          3HG1      VAL  80  -7.307   3.417   1.178
  571   1HG2  VAL  80          1HG2      VAL  80  -7.827   1.626   3.055
  572   2HG2  VAL  80          2HG2      VAL  80  -6.704   1.449   4.424
  573   3HG2  VAL  80          3HG2      VAL  80  -7.675   2.920   4.269
  574    H    MET  81           H        MET  81  -2.917   1.734   3.603
  575    HA   MET  81           HA       MET  81  -3.650   0.223   6.114
  576   1HB   MET  81          1HB       MET  81  -1.926  -1.411   5.431
  577   2HB   MET  81          2HB       MET  81  -1.315  -0.333   4.189
  578   1HG   MET  81          1HG       MET  81  -3.675  -0.487   3.063
  579   2HG   MET  81          2HG       MET  81  -4.013  -1.804   4.196
  580   1HE   MET  81          1HE       MET  81  -3.077  -4.596   1.885
  581   2HE   MET  81          2HE       MET  81  -3.451  -4.309   3.611
  582   3HE   MET  81          3HE       MET  81  -4.438  -3.523   2.343
  583    H    MET  82           H        MET  82  -1.200   2.477   4.967
  584    HA   MET  82           HA       MET  82   0.732   2.292   7.177
  585   1HB   MET  82          1HB       MET  82   0.131   4.351   5.067
  586   2HB   MET  82          2HB       MET  82   0.832   4.992   6.542
  587   1HG   MET  82          1HG       MET  82   2.332   4.042   4.449
  588   2HG   MET  82          2HG       MET  82   2.227   2.556   5.407
  589   1HE   MET  82          1HE       MET  82   5.276   2.747   6.498
  590   2HE   MET  82          2HE       MET  82   4.478   2.717   8.099
  591   3HE   MET  82          3HE       MET  82   3.722   1.881   6.711
  592    H    VAL  83           H        VAL  83  -2.079   4.435   6.658
  593    HA   VAL  83           HA       VAL  83  -2.291   5.791   9.170
  594    HB   VAL  83           HB       VAL  83  -4.016   6.614   8.014
  595   1HG1  VAL  83          1HG1      VAL  83  -5.714   4.174   8.777
  596   2HG1  VAL  83          2HG1      VAL  83  -5.254   5.432   9.933
  597   3HG1  VAL  83          3HG1      VAL  83  -6.251   5.855   8.521
  598   1HG2  VAL  83          1HG2      VAL  83  -5.167   5.677   6.092
  599   2HG2  VAL  83          2HG2      VAL  83  -3.475   5.147   5.950
  600   3HG2  VAL  83          3HG2      VAL  83  -4.704   4.010   6.523
  601    NH1  ARG  84           NH1      ARG  84  -9.130  -1.567   9.113
  602    NH2  ARG  84           NH2      ARG  84 -10.420  -1.293   7.262
  603    H    ARG  84           H        ARG  84  -4.455   3.125   8.372
  604    HA   ARG  84           HA       ARG  84  -5.402   2.044  10.704
  605   1HB   ARG  84          1HB       ARG  84  -4.767  -0.365   9.556
  606   2HB   ARG  84          2HB       ARG  84  -4.440   0.688   8.186
  607   1HG   ARG  84          1HG       ARG  84  -7.116   0.472   9.686
  608   2HG   ARG  84          2HG       ARG  84  -6.792   1.710   8.471
  609   1HD   ARG  84          1HD       ARG  84  -6.323  -0.082   6.744
  610   2HD   ARG  84          2HD       ARG  84  -6.636  -1.334   7.944
  611    HE   ARG  84           HE       ARG  84  -8.725   0.422   6.650
  612   1HH1  ARG  84          1HH1      ARG  84  -9.897  -2.153   9.463
  613   2HH1  ARG  84          2HH1      ARG  84  -8.243  -1.366   9.587
  614   1HH2  ARG  84          1HH2      ARG  84 -10.541  -0.842   6.348
  615   2HH2  ARG  84          2HH2      ARG  84 -11.072  -1.939   7.720
  616    H    GLN  85           H        GLN  85  -2.030   1.615   9.623
  617    HA   GLN  85           HA       GLN  85  -1.269  -0.439  11.615
  618   1HB   GLN  85          1HB       GLN  85   0.297   1.362   9.723
  619   2HB   GLN  85          2HB       GLN  85   1.152   0.583  11.042
  620   1HG   GLN  85          1HG       GLN  85  -0.045  -0.639   8.563
  621   2HG   GLN  85          2HG       GLN  85   1.474  -0.988   9.362
  622   1HE2  GLN  85          1HE2      GLN  85   0.070  -3.646  11.376
  623   2HE2  GLN  85          2HE2      GLN  85   1.505  -2.548  11.059
  624    H    MET  86           H        MET  86  -0.400   3.019  11.362
  625    HA   MET  86           HA       MET  86   1.001   3.385  13.828
  626   1HB   MET  86          1HB       MET  86  -0.772   5.481  12.440
  627   2HB   MET  86          2HB       MET  86   0.880   5.092  11.996
  628   1HG   MET  86          1HG       MET  86   0.495   5.879  14.896
  629   2HG   MET  86          2HG       MET  86   0.213   7.147  13.692
  630   1HE   MET  86          1HE       MET  86   1.611   7.212  11.539
  631   2HE   MET  86          2HE       MET  86   3.304   7.729  11.796
  632   3HE   MET  86          3HE       MET  86   2.953   6.052  11.286
  633    H    LYS  87           H        LYS  87  -2.454   3.274  13.185
  634    HA   LYS  87           HA       LYS  87  -3.439   4.190  15.806
  635   1HB   LYS  87          1HB       LYS  87  -4.663   3.522  13.373
  636   2HB   LYS  87          2HB       LYS  87  -5.185   2.203  14.399
  637   1HG   LYS  87          1HG       LYS  87  -5.530   4.688  15.889
  638   2HG   LYS  87          2HG       LYS  87  -6.158   4.944  14.274
  639   1HD   LYS  87          1HD       LYS  87  -7.042   2.366  15.605
  640   2HD   LYS  87          2HD       LYS  87  -7.573   3.851  16.380
  641   1HE   LYS  87          1HE       LYS  87  -8.168   4.414  13.696
  642   2HE   LYS  87          2HE       LYS  87  -8.481   2.679  13.772
  643   1HZ   LYS  87          1HZ       LYS  87 -10.458   3.391  14.563
  644   2HZ   LYS  87          2HZ       LYS  87  -9.693   3.535  16.020
  645   3HZ   LYS  87          3HZ       LYS  87  -9.897   4.863  15.060
  646    H    GLU  88           H        GLU  88  -3.129   0.905  14.398
  647    HA   GLU  88           HA       GLU  88  -2.880  -1.268  15.387
  648   1HB   GLU  88          1HB       GLU  88  -0.754  -0.431  16.147
  649   2HB   GLU  88          2HB       GLU  88  -1.472   0.467  17.469
  650   1HG   GLU  88          1HG       GLU  88  -2.279  -1.996  18.285
  651   2HG   GLU  88          2HG       GLU  88  -0.970  -2.536  17.247
  652    H    ASP  89           H        ASP  89  -3.150   0.209  18.550
  653    HA   ASP  89           HA       ASP  89  -4.744  -0.035  20.327
  654   1HB   ASP  89          1HB       ASP  89  -7.057   0.005  18.377
  655   2HB   ASP  89          2HB       ASP  89  -5.976   1.380  18.356
  656    H    ALA  90           H        ALA  90  -7.139  -1.294  20.524
  657    HA   ALA  90           HA       ALA  90  -8.056  -3.454  21.080
  658   1HB   ALA  90          1HB       ALA  90  -8.029  -5.186  19.385
  659   2HB   ALA  90          2HB       ALA  90  -8.053  -3.656  18.486
  660   3HB   ALA  90          3HB       ALA  90  -6.534  -4.574  18.634
   
  Start of MODEL          28
 Raw file had  660 H/Q atoms
  Start of MODEL   28
    1   1H    ALA   1          1H        ALA   1 -21.532   2.678   7.368
    2   2H    ALA   1          2H        ALA   1 -20.815   1.703   8.535
    3   3H    ALA   1          3H        ALA   1 -19.891   2.323   7.274
    4    HA   ALA   1           HA       ALA   1 -20.932  -0.130   7.360
    5   1HB   ALA   1          1HB       ALA   1 -22.783   0.251   5.378
    6   2HB   ALA   1          2HB       ALA   1 -23.220   0.192   7.096
    7   3HB   ALA   1          3HB       ALA   1 -23.042   1.765   6.278
    8    H    SER   2           H        SER   2 -19.565  -1.083   6.033
    9    HA   SER   2           HA       SER   2 -18.008  -1.530   4.252
   10   1HB   SER   2          1HB       SER   2 -19.486   0.470   2.496
   11   2HB   SER   2          2HB       SER   2 -18.708  -1.052   2.054
   12    HG   SER   2           HG       SER   2 -21.142  -0.812   2.394
   13    H    MET   3           H        MET   3 -17.111   0.269   2.248
   14    HA   MET   3           HA       MET   3 -15.306   2.119   3.870
   15   1HB   MET   3          1HB       MET   3 -15.016   1.180   0.955
   16   2HB   MET   3          2HB       MET   3 -13.910   2.257   1.788
   17   1HG   MET   3          1HG       MET   3 -12.725   0.362   2.293
   18   2HG   MET   3          2HG       MET   3 -13.936   0.088   3.556
   19   1HE   MET   3          1HE       MET   3 -14.430  -2.230   3.875
   20   2HE   MET   3          2HE       MET   3 -16.049  -1.731   3.303
   21   3HE   MET   3          3HE       MET   3 -15.321  -3.249   2.702
   22    H    THR   4           H        THR   4 -17.173   3.514   4.194
   23    HA   THR   4           HA       THR   4 -18.737   4.863   2.176
   24    HB   THR   4           HB       THR   4 -17.876   6.150   4.812
   25    HG1  THR   4           HG1      THR   4 -18.712   4.285   5.387
   26   1HG2  THR   4          1HG2      THR   4 -20.060   7.297   4.774
   27   2HG2  THR   4          2HG2      THR   4 -19.145   7.744   3.317
   28   3HG2  THR   4          3HG2      THR   4 -20.486   6.574   3.208
   29    H    ASP   5           H        ASP   5 -15.484   5.458   3.390
   30    HA   ASP   5           HA       ASP   5 -14.383   6.671   1.025
   31   1HB   ASP   5          1HB       ASP   5 -14.258   9.142   1.790
   32   2HB   ASP   5          2HB       ASP   5 -15.720   8.576   1.017
   33    H    GLN   6           H        GLN   6 -13.319   4.906   2.511
   34    HA   GLN   6           HA       GLN   6 -11.564   5.902   4.734
   35   1HB   GLN   6          1HB       GLN   6 -12.486   3.364   3.975
   36   2HB   GLN   6          2HB       GLN   6 -10.815   3.320   3.441
   37   1HG   GLN   6          1HG       GLN   6 -10.557   4.398   6.028
   38   2HG   GLN   6          2HG       GLN   6 -10.226   2.746   5.549
   39   1HE2  GLN   6          1HE2      GLN   6 -12.953   1.451   7.475
   40   2HE2  GLN   6          2HE2      GLN   6 -11.402   1.167   6.537
   41    H    GLN   7           H        GLN   7 -11.287   5.098   1.295
   42    HA   GLN   7           HA       GLN   7  -8.488   5.241   0.765
   43   1HB   GLN   7          1HB       GLN   7  -9.765   4.704  -1.129
   44   2HB   GLN   7          2HB       GLN   7 -10.917   6.003  -0.873
   45   1HG   GLN   7          1HG       GLN   7  -8.907   7.635  -1.459
   46   2HG   GLN   7          2HG       GLN   7  -8.115   6.209  -2.097
   47   1HE2  GLN   7          1HE2      GLN   7 -10.024   6.270  -5.128
   48   2HE2  GLN   7          2HE2      GLN   7  -8.746   5.438  -4.108
   49    H    ALA   8           H        ALA   8 -10.731   8.027   0.453
   50    HA   ALA   8           HA       ALA   8  -8.626  10.058   0.193
   51   1HB   ALA   8          1HB       ALA   8 -10.727  11.617   0.807
   52   2HB   ALA   8          2HB       ALA   8 -10.602  10.803  -0.764
   53   3HB   ALA   8          3HB       ALA   8 -11.647  10.123   0.508
   54    H    GLU   9           H        GLU   9 -10.384   8.681   2.908
   55    HA   GLU   9           HA       GLU   9 -10.081  10.680   4.953
   56   1HB   GLU   9          1HB       GLU   9 -10.676   7.775   4.935
   57   2HB   GLU   9          2HB       GLU   9  -9.832   8.276   6.387
   58   1HG   GLU   9          1HG       GLU   9 -12.577   9.186   5.376
   59   2HG   GLU   9          2HG       GLU   9 -11.689  10.218   6.483
   60    H    ALA  10           H        ALA  10  -7.812   8.278   3.724
   61    HA   ALA  10           HA       ALA  10  -5.789   8.422   5.851
   62   1HB   ALA  10          1HB       ALA  10  -4.312   7.209   4.254
   63   2HB   ALA  10          2HB       ALA  10  -5.930   6.484   4.314
   64   3HB   ALA  10          3HB       ALA  10  -5.460   7.496   2.925
   65    NH1  ARG  11           NH1      ARG  11  -5.771  13.855  -3.328
   66    NH2  ARG  11           NH2      ARG  11  -5.492  11.632  -3.703
   67    H    ARG  11           H        ARG  11  -6.105  10.000   2.671
   68    HA   ARG  11           HA       ARG  11  -3.492  11.409   2.682
   69   1HB   ARG  11          1HB       ARG  11  -4.861  10.820   0.596
   70   2HB   ARG  11          2HB       ARG  11  -4.136  12.420   0.658
   71   1HG   ARG  11          1HG       ARG  11  -7.075  11.674   0.801
   72   2HG   ARG  11          2HG       ARG  11  -6.565  13.128   1.662
   73   1HD   ARG  11          1HD       ARG  11  -7.134  13.974  -0.490
   74   2HD   ARG  11          2HD       ARG  11  -5.377  13.861  -0.572
   75    HE   ARG  11           HE       ARG  11  -6.919  11.470  -1.618
   76   1HH1  ARG  11          1HH1      ARG  11  -5.063  11.916  -4.590
   77   2HH1  ARG  11          2HH1      ARG  11  -5.659  10.673  -3.379
   78   1HH2  ARG  11          1HH2      ARG  11  -5.981  14.599  -2.655
   79   2HH2  ARG  11          2HH2      ARG  11  -5.492  13.974  -4.309
   80    H    ALA  12           H        ALA  12  -6.742  12.124   3.814
   81    HA   ALA  12           HA       ALA  12  -6.622  15.005   4.138
   82   1HB   ALA  12          1HB       ALA  12  -8.473  14.760   5.779
   83   2HB   ALA  12          2HB       ALA  12  -8.747  13.749   4.347
   84   3HB   ALA  12          3HB       ALA  12  -8.204  13.003   5.871
   85    H    PHE  13           H        PHE  13  -5.364  12.369   6.104
   86    HA   PHE  13           HA       PHE  13  -4.592  14.094   8.430
   87   1HB   PHE  13          1HB       PHE  13  -3.965  11.142   7.831
   88   2HB   PHE  13          2HB       PHE  13  -5.321  11.725   8.758
   89    HD1  PHE  13           HD1      PHE  13  -4.455  10.204  10.618
   90    HD2  PHE  13           HD2      PHE  13  -2.167  13.590   9.264
   91    HE1  PHE  13           HE1      PHE  13  -3.014  10.041  12.607
   92    HE2  PHE  13           HE2      PHE  13  -0.716  13.387  11.240
   93    HZ   PHE  13           HZ       PHE  13  -1.129  11.611  12.908
   94    H    LEU  14           H        LEU  14  -2.866  12.150   5.974
   95    HA   LEU  14           HA       LEU  14  -0.149  13.075   6.672
   96   1HB   LEU  14          1HB       LEU  14  -0.869  11.954   3.923
   97   2HB   LEU  14          2HB       LEU  14   0.646  11.834   4.790
   98    HG   LEU  14           HG       LEU  14  -1.921  10.441   5.763
   99   1HD1  LEU  14          1HD1      LEU  14  -1.061   8.344   4.711
  100   2HD1  LEU  14          2HD1      LEU  14  -1.363   9.583   3.480
  101   3HD1  LEU  14          3HD1      LEU  14   0.306   9.233   3.992
  102   1HD2  LEU  14          1HD2      LEU  14   1.046   9.947   6.482
  103   2HD2  LEU  14          2HD2      LEU  14  -0.183  10.679   7.542
  104   3HD2  LEU  14          3HD2      LEU  14  -0.337   8.983   7.060
  105    H    SER  15           H        SER  15   0.994  14.740   5.930
  106    HA   SER  15           HA       SER  15  -0.296  17.133   4.856
  107   1HB   SER  15          1HB       SER  15   2.304  17.775   4.489
  108   2HB   SER  15          2HB       SER  15   2.552  16.362   5.518
  109    HG   SER  15           HG       SER  15   1.510  17.303   7.123
  110    H    GLU  16           H        GLU  16   0.794  18.280   2.905
  111    HA   GLU  16           HA       GLU  16   0.153  16.689   0.452
  112   1HB   GLU  16          1HB       GLU  16  -0.267  19.289   1.017
  113   2HB   GLU  16          2HB       GLU  16   1.305  19.482   0.268
  114   1HG   GLU  16          1HG       GLU  16   0.013  19.736  -1.635
  115   2HG   GLU  16          2HG       GLU  16   0.184  17.991  -1.710
  116    H    GLU  17           H        GLU  17   2.975  18.008   2.083
  117    HA   GLU  17           HA       GLU  17   4.906  17.342  -0.136
  118   1HB   GLU  17          1HB       GLU  17   5.366  19.387   1.035
  119   2HB   GLU  17          2HB       GLU  17   5.286  18.621   2.609
  120   1HG   GLU  17          1HG       GLU  17   7.450  17.820   0.571
  121   2HG   GLU  17          2HG       GLU  17   7.639  19.233   1.596
  122    H    MET  18           H        MET  18   3.932  16.162   3.050
  123    HA   MET  18           HA       MET  18   5.828  14.029   3.547
  124   1HB   MET  18          1HB       MET  18   4.178  14.627   5.251
  125   2HB   MET  18          2HB       MET  18   2.838  14.178   4.211
  126   1HG   MET  18          1HG       MET  18   4.335  11.771   4.341
  127   2HG   MET  18          2HG       MET  18   2.857  12.147   5.241
  128   1HE   MET  18          1HE       MET  18   6.215  14.054   5.408
  129   2HE   MET  18          2HE       MET  18   6.931  13.585   6.978
  130   3HE   MET  18          3HE       MET  18   7.022  12.464   5.588
  131    H    ILE  19           H        ILE  19   3.051  14.267   1.388
  132    HA   ILE  19           HA       ILE  19   2.817  11.447   0.596
  133    HB   ILE  19           HB       ILE  19   1.889  14.004  -0.789
  134   1HG1  ILE  19          1HG1      ILE  19   0.199  13.802   0.748
  135   2HG1  ILE  19          2HG1      ILE  19  -0.393  12.513  -0.279
  136   1HG2  ILE  19          1HG2      ILE  19   0.639  12.602  -2.447
  137   2HG2  ILE  19          2HG2      ILE  19   2.372  12.320  -2.594
  138   3HG2  ILE  19          3HG2      ILE  19   1.354  11.119  -1.767
  139   1HD1  ILE  19          1HD1      ILE  19   1.311  12.067   2.242
  140   2HD1  ILE  19          2HD1      ILE  19  -0.415  11.717   2.018
  141   3HD1  ILE  19          3HD1      ILE  19   0.799  10.779   1.118
  142    H    ALA  20           H        ALA  20   4.579  14.241  -0.740
  143    HA   ALA  20           HA       ALA  20   5.644  13.126  -3.155
  144   1HB   ALA  20          1HB       ALA  20   5.799  15.568  -2.096
  145   2HB   ALA  20          2HB       ALA  20   7.386  15.016  -1.526
  146   3HB   ALA  20          3HB       ALA  20   7.021  15.025  -3.271
  147    H    GLU  21           H        GLU  21   6.815  12.877   0.182
  148    HA   GLU  21           HA       GLU  21   9.398  11.554  -0.492
  149   1HB   GLU  21          1HB       GLU  21   8.012  11.997   2.202
  150   2HB   GLU  21          2HB       GLU  21   9.249  13.002   1.476
  151   1HG   GLU  21          1HG       GLU  21  10.378  11.720   3.159
  152   2HG   GLU  21          2HG       GLU  21   9.551  10.230   2.738
  153    H    PHE  22           H        PHE  22   6.174  10.577   0.530
  154    HA   PHE  22           HA       PHE  22   6.606   7.801   1.275
  155   1HB   PHE  22          1HB       PHE  22   4.110   7.589   0.242
  156   2HB   PHE  22          2HB       PHE  22   4.190   9.331   0.234
  157    HD1  PHE  22           HD1      PHE  22   2.118   8.300   1.878
  158    HD2  PHE  22           HD2      PHE  22   6.283   8.582   2.928
  159    HE1  PHE  22           HE1      PHE  22   1.525   8.334   4.265
  160    HE2  PHE  22           HE2      PHE  22   5.669   8.617   5.311
  161    HZ   PHE  22           HZ       PHE  22   3.297   8.453   5.985
  162    H    LYS  23           H        LYS  23   5.762   9.270  -1.868
  163    HA   LYS  23           HA       LYS  23   5.538   6.972  -3.547
  164   1HB   LYS  23          1HB       LYS  23   6.403   8.492  -5.458
  165   2HB   LYS  23          2HB       LYS  23   6.647   9.750  -4.266
  166   1HG   LYS  23          1HG       LYS  23   4.007   8.492  -5.176
  167   2HG   LYS  23          2HG       LYS  23   4.084   9.396  -3.677
  168   1HD   LYS  23          1HD       LYS  23   5.058  11.390  -5.096
  169   2HD   LYS  23          2HD       LYS  23   4.635  10.438  -6.509
  170   1HE   LYS  23          1HE       LYS  23   2.573  11.275  -4.380
  171   2HE   LYS  23          2HE       LYS  23   2.870  12.178  -5.867
  172   1HZ   LYS  23          1HZ       LYS  23   1.008  10.384  -5.764
  173   2HZ   LYS  23          2HZ       LYS  23   1.919  10.507  -7.137
  174   3HZ   LYS  23          3HZ       LYS  23   2.221   9.300  -6.051
  175    H    ALA  24           H        ALA  24   8.422   8.659  -2.393
  176    HA   ALA  24           HA       ALA  24  10.519   7.643  -4.045
  177   1HB   ALA  24          1HB       ALA  24  12.057   8.034  -2.131
  178   2HB   ALA  24          2HB       ALA  24  10.907   9.372  -2.314
  179   3HB   ALA  24          3HB       ALA  24  10.680   8.176  -1.012
  180    H    ALA  25           H        ALA  25   9.445   6.258  -0.919
  181    HA   ALA  25           HA       ALA  25  11.107   3.878  -0.943
  182   1HB   ALA  25          1HB       ALA  25   9.632   3.037   0.876
  183   2HB   ALA  25          2HB       ALA  25  10.055   4.740   1.129
  184   3HB   ALA  25          3HB       ALA  25   8.432   4.306   0.535
  185    H    PHE  26           H        PHE  26   7.953   4.565  -2.330
  186    HA   PHE  26           HA       PHE  26   7.000   1.842  -2.788
  187   1HB   PHE  26          1HB       PHE  26   5.607   3.998  -2.839
  188   2HB   PHE  26          2HB       PHE  26   6.239   4.331  -4.430
  189    HD1  PHE  26           HD1      PHE  26   4.162   1.900  -2.449
  190    HD2  PHE  26           HD2      PHE  26   5.324   3.168  -6.392
  191    HE1  PHE  26           HE1      PHE  26   2.412   0.476  -3.435
  192    HE2  PHE  26           HE2      PHE  26   3.550   1.761  -7.358
  193    HZ   PHE  26           HZ       PHE  26   2.091   0.418  -5.885
  194    H    ASP  27           H        ASP  27   8.945   4.102  -4.696
  195    HA   ASP  27           HA       ASP  27   9.085   2.391  -7.138
  196   1HB   ASP  27          1HB       ASP  27  10.999   4.714  -6.635
  197   2HB   ASP  27          2HB       ASP  27   9.310   5.028  -6.958
  198    H    MET  28           H        MET  28  10.998   2.943  -4.251
  199    HA   MET  28           HA       MET  28  13.580   1.918  -4.875
  200   1HB   MET  28          1HB       MET  28  11.979   1.979  -2.334
  201   2HB   MET  28          2HB       MET  28  13.256   0.776  -2.376
  202   1HG   MET  28          1HG       MET  28  13.749   3.758  -2.996
  203   2HG   MET  28          2HG       MET  28  13.937   3.033  -1.392
  204   1HE   MET  28          1HE       MET  28  16.040   3.738  -1.030
  205   2HE   MET  28          2HE       MET  28  17.445   2.682  -1.359
  206   3HE   MET  28          3HE       MET  28  17.131   4.097  -2.406
  207    H    PHE  29           H        PHE  29  10.558   0.174  -4.392
  208    HA   PHE  29           HA       PHE  29  11.903  -2.550  -4.689
  209   1HB   PHE  29          1HB       PHE  29   8.944  -1.967  -4.040
  210   2HB   PHE  29          2HB       PHE  29   9.716  -3.529  -4.047
  211    HD1  PHE  29           HD1      PHE  29  11.297  -4.229  -2.239
  212    HD2  PHE  29           HD2      PHE  29   9.369  -0.382  -2.105
  213    HE1  PHE  29           HE1      PHE  29  11.855  -4.019   0.149
  214    HE2  PHE  29           HE2      PHE  29   9.944  -0.190   0.280
  215    HZ   PHE  29           HZ       PHE  29  11.184  -2.002   1.409
  216    H    ASP  30           H        ASP  30   9.632  -0.334  -6.228
  217    HA   ASP  30           HA       ASP  30   8.692  -2.219  -8.328
  218   1HB   ASP  30          1HB       ASP  30   8.414   0.793  -8.663
  219   2HB   ASP  30          2HB       ASP  30   7.537   0.004  -7.373
  220    H    ALA  31           H        ALA  31   9.252  -2.254 -10.485
  221    HA   ALA  31           HA       ALA  31  12.086  -1.702 -11.184
  222   1HB   ALA  31          1HB       ALA  31  11.509  -2.732 -13.386
  223   2HB   ALA  31          2HB       ALA  31  10.944  -3.725 -12.029
  224   3HB   ALA  31          3HB       ALA  31   9.781  -2.746 -12.960
  225    H    ASP  32           H        ASP  32   9.382  -0.937 -13.317
  226    HA   ASP  32           HA       ASP  32   9.901   2.039 -13.257
  227   1HB   ASP  32          1HB       ASP  32  10.046   0.684 -15.997
  228   2HB   ASP  32          2HB       ASP  32  11.482   0.927 -15.028
  229    H    GLY  33           H        GLY  33   7.963   2.807 -12.937
  230   1HA   GLY  33          1HA       GLY  33   5.681   2.885 -14.575
  231   2HA   GLY  33          2HA       GLY  33   5.449   1.343 -13.746
  232    H    GLY  34           H        GLY  34   6.595   2.015 -11.242
  233   1HA   GLY  34          1HA       GLY  34   5.796   2.763  -9.072
  234   2HA   GLY  34          2HA       GLY  34   5.721   4.348  -9.849
  235    H    GLY  35           H        GLY  35   3.884   1.294 -10.143
  236   1HA   GLY  35          1HA       GLY  35   1.412   1.561 -11.034
  237   2HA   GLY  35          2HA       GLY  35   1.267   2.864  -9.849
  238    H    ASP  36           H        ASP  36   2.642  -0.426  -9.714
  239    HA   ASP  36           HA       ASP  36   1.099  -1.022  -7.150
  240   1HB   ASP  36          1HB       ASP  36   0.755  -3.436  -8.398
  241   2HB   ASP  36          2HB       ASP  36   0.682  -2.397  -9.803
  242    H    ILE  37           H        ILE  37   1.840  -3.118  -6.213
  243    HA   ILE  37           HA       ILE  37   4.688  -3.976  -6.887
  244    HB   ILE  37           HB       ILE  37   5.173  -3.889  -4.315
  245   1HG1  ILE  37          1HG1      ILE  37   3.072  -1.629  -4.504
  246   2HG1  ILE  37          2HG1      ILE  37   2.945  -3.072  -3.521
  247   1HG2  ILE  37          1HG2      ILE  37   6.352  -1.707  -4.611
  248   2HG2  ILE  37          2HG2      ILE  37   6.468  -2.668  -6.092
  249   3HG2  ILE  37          3HG2      ILE  37   5.330  -1.303  -6.011
  250   1HD1  ILE  37          1HD1      ILE  37   5.005  -0.840  -3.052
  251   2HD1  ILE  37          2HD1      ILE  37   3.574  -1.224  -2.072
  252   3HD1  ILE  37          3HD1      ILE  37   4.935  -2.368  -2.134
  253    H    SER  38           H        SER  38   5.224  -5.897  -5.423
  254    HA   SER  38           HA       SER  38   3.067  -7.954  -5.572
  255   1HB   SER  38          1HB       SER  38   5.663  -8.473  -4.091
  256   2HB   SER  38          2HB       SER  38   5.724  -8.188  -5.832
  257    HG   SER  38           HG       SER  38   5.373 -10.396  -5.007
  258    H    THR  39           H        THR  39   2.494  -9.271  -3.699
  259    HA   THR  39           HA       THR  39   1.618  -7.597  -1.366
  260    HB   THR  39           HB       THR  39   0.188  -9.390  -2.589
  261    HG1  THR  39           HG1      THR  39   0.382  -8.649   0.035
  262   1HG2  THR  39          1HG2      THR  39   0.115 -11.638  -1.603
  263   2HG2  THR  39          2HG2      THR  39   1.729 -11.378  -2.306
  264   3HG2  THR  39          3HG2      THR  39   1.497 -11.284  -0.540
  265    H    LYS  40           H        LYS  40   3.952 -10.126  -2.102
  266    HA   LYS  40           HA       LYS  40   4.609 -10.907   0.671
  267   1HB   LYS  40          1HB       LYS  40   5.537 -11.629  -2.046
  268   2HB   LYS  40          2HB       LYS  40   5.378 -12.623  -0.614
  269   1HG   LYS  40          1HG       LYS  40   7.738 -12.264  -1.726
  270   2HG   LYS  40          2HG       LYS  40   7.741 -10.693  -0.950
  271   1HD   LYS  40          1HD       LYS  40   8.132 -11.573   1.179
  272   2HD   LYS  40          2HD       LYS  40   7.087 -12.957   0.902
  273   1HE   LYS  40          1HE       LYS  40  10.044 -12.715   0.442
  274   2HE   LYS  40          2HE       LYS  40   9.189 -13.588  -0.831
  275   1HZ   LYS  40          1HZ       LYS  40   8.559 -15.239   0.646
  276   2HZ   LYS  40          2HZ       LYS  40  10.023 -14.821   1.288
  277   3HZ   LYS  40          3HZ       LYS  40   8.629 -14.277   1.987
  278    H    GLU  41           H        GLU  41   5.804  -8.526  -1.633
  279    HA   GLU  41           HA       GLU  41   8.203  -7.756   0.010
  280   1HB   GLU  41          1HB       GLU  41   7.129  -6.850  -2.689
  281   2HB   GLU  41          2HB       GLU  41   8.335  -5.887  -1.860
  282   1HG   GLU  41          1HG       GLU  41   8.880  -8.872  -2.264
  283   2HG   GLU  41          2HG       GLU  41  10.031  -7.562  -2.067
  284    H    LEU  42           H        LEU  42   5.064  -6.379  -0.931
  285    HA   LEU  42           HA       LEU  42   5.009  -3.775  -0.014
  286   1HB   LEU  42          1HB       LEU  42   2.845  -4.044  -0.523
  287   2HB   LEU  42          2HB       LEU  42   3.017  -5.785  -0.487
  288    HG   LEU  42           HG       LEU  42   2.511  -4.234   2.111
  289   1HD1  LEU  42          1HD1      LEU  42   0.046  -4.589   1.789
  290   2HD1  LEU  42          2HD1      LEU  42   0.706  -3.509   0.552
  291   3HD1  LEU  42          3HD1      LEU  42   0.335  -5.202   0.141
  292   1HD2  LEU  42          1HD2      LEU  42   1.828  -7.137   1.287
  293   2HD2  LEU  42          2HD2      LEU  42   3.161  -6.640   2.359
  294   3HD2  LEU  42          3HD2      LEU  42   1.481  -6.387   2.867
  295    H    GLY  43           H        GLY  43   4.537  -6.635   2.078
  296   1HA   GLY  43          1HA       GLY  43   4.396  -5.503   4.722
  297   2HA   GLY  43          2HA       GLY  43   5.184  -7.045   4.368
  298    H    THR  44           H        THR  44   7.392  -6.819   3.285
  299    HA   THR  44           HA       THR  44   9.361  -5.869   4.977
  300    HB   THR  44           HB       THR  44   9.458  -6.293   1.981
  301    HG1  THR  44           HG1      THR  44   9.889  -8.138   2.707
  302   1HG2  THR  44          1HG2      THR  44  11.947  -6.063   1.997
  303   2HG2  THR  44          2HG2      THR  44  11.157  -4.498   2.282
  304   3HG2  THR  44          3HG2      THR  44  11.889  -5.386   3.643
  305    H    VAL  45           H        VAL  45   7.532  -3.956   2.695
  306    HA   VAL  45           HA       VAL  45   9.255  -1.595   2.515
  307    HB   VAL  45           HB       VAL  45   6.219  -1.566   2.150
  308   1HG1  VAL  45          1HG1      VAL  45   8.278  -2.189  -0.058
  309   2HG1  VAL  45          2HG1      VAL  45   7.337  -3.435   0.772
  310   3HG1  VAL  45          3HG1      VAL  45   6.500  -2.198  -0.192
  311   1HG2  VAL  45          1HG2      VAL  45   6.550   0.328   0.647
  312   2HG2  VAL  45          2HG2      VAL  45   7.436   0.714   2.140
  313   3HG2  VAL  45          3HG2      VAL  45   8.324   0.168   0.710
  314    H    MET  46           H        MET  46   6.289  -2.218   4.432
  315    HA   MET  46           HA       MET  46   6.188   0.231   5.944
  316   1HB   MET  46          1HB       MET  46   5.014  -2.520   6.338
  317   2HB   MET  46          2HB       MET  46   5.105  -1.513   7.772
  318   1HG   MET  46          1HG       MET  46   3.684  -0.724   5.148
  319   2HG   MET  46          2HG       MET  46   3.808   0.314   6.577
  320   1HE   MET  46          1HE       MET  46   1.353   0.634   6.652
  321   2HE   MET  46          2HE       MET  46   0.280  -0.454   7.580
  322   3HE   MET  46          3HE       MET  46   1.684   0.309   8.382
  323    NH1  ARG  47           NH1      ARG  47  14.174  -6.399   8.715
  324    NH2  ARG  47           NH2      ARG  47  14.624  -6.115  10.923
  325    H    ARG  47           H        ARG  47   8.057  -2.719   6.443
  326    HA   ARG  47           HA       ARG  47   8.968  -2.075   9.231
  327   1HB   ARG  47          1HB       ARG  47   8.676  -4.456   8.147
  328   2HB   ARG  47          2HB       ARG  47  10.227  -4.159   7.376
  329   1HG   ARG  47          1HG       ARG  47   9.639  -4.780  10.247
  330   2HG   ARG  47          2HG       ARG  47  10.838  -3.504  10.028
  331   1HD   ARG  47          1HD       ARG  47  11.031  -6.439   9.341
  332   2HD   ARG  47          2HD       ARG  47  11.747  -5.358   8.148
  333    HE   ARG  47           HE       ARG  47  12.645  -4.607  10.866
  334   1HH1  ARG  47          1HH1      ARG  47  15.091  -6.859   8.667
  335   2HH1  ARG  47          2HH1      ARG  47  13.504  -6.285   7.947
  336   1HH2  ARG  47          1HH2      ARG  47  14.364  -5.667  11.809
  337   2HH2  ARG  47          2HH2      ARG  47  15.441  -6.711  10.753
  338    H    MET  48           H        MET  48  10.137  -1.666   5.938
  339    HA   MET  48           HA       MET  48  12.946  -0.924   6.766
  340   1HB   MET  48          1HB       MET  48  13.283  -0.575   4.245
  341   2HB   MET  48          2HB       MET  48  11.626  -1.099   3.998
  342   1HG   MET  48          1HG       MET  48  12.635  -3.160   3.689
  343   2HG   MET  48          2HG       MET  48  12.489  -3.260   5.451
  344   1HE   MET  48          1HE       MET  48  16.150  -4.399   3.643
  345   2HE   MET  48          2HE       MET  48  14.904  -5.189   4.653
  346   3HE   MET  48          3HE       MET  48  14.452  -4.475   3.077
  347    H    LEU  49           H        LEU  49  10.257   0.693   7.217
  348    HA   LEU  49           HA       LEU  49  11.329   3.417   6.301
  349   1HB   LEU  49          1HB       LEU  49   8.910   4.163   7.009
  350   2HB   LEU  49          2HB       LEU  49   8.501   2.462   6.995
  351    HG   LEU  49           HG       LEU  49   9.353   2.391   4.526
  352   1HD1  LEU  49          1HD1      LEU  49   7.169   3.218   3.638
  353   2HD1  LEU  49          2HD1      LEU  49   6.925   2.287   5.127
  354   3HD1  LEU  49          3HD1      LEU  49   6.834   4.065   5.169
  355   1HD2  LEU  49          1HD2      LEU  49   9.106   5.463   4.802
  356   2HD2  LEU  49          2HD2      LEU  49  10.600   4.556   4.458
  357   3HD2  LEU  49          3HD2      LEU  49   9.287   4.568   3.272
  358    H    GLY  50           H        GLY  50  10.189   1.420   8.980
  359   1HA   GLY  50          1HA       GLY  50  11.826   2.056  11.097
  360   2HA   GLY  50          2HA       GLY  50  10.873   3.543  11.055
  361    H    GLN  51           H        GLN  51  10.190   0.049  10.784
  362    HA   GLN  51           HA       GLN  51   8.144   0.209  13.056
  363   1HB   GLN  51          1HB       GLN  51   7.267   0.256  10.424
  364   2HB   GLN  51          2HB       GLN  51   7.324  -1.475  10.711
  365   1HG   GLN  51          1HG       GLN  51   5.103  -0.878  11.270
  366   2HG   GLN  51          2HG       GLN  51   5.880  -1.107  12.823
  367   1HE2  GLN  51          1HE2      GLN  51   3.926   2.111  13.016
  368   2HE2  GLN  51          2HE2      GLN  51   3.557   0.349  12.659
  369    H    ASN  52           H        ASN  52   7.580  -1.957  13.825
  370    HA   ASN  52           HA       ASN  52   9.891  -3.927  13.531
  371   1HB   ASN  52          1HB       ASN  52   8.589  -2.854  16.073
  372   2HB   ASN  52          2HB       ASN  52   9.436  -4.386  16.096
  373   1HD2  ASN  52          1HD2      ASN  52  12.650  -2.728  16.147
  374   2HD2  ASN  52          2HD2      ASN  52  11.739  -4.312  15.980
  375    HA   PRO  53           HA       PRO  53   5.428  -6.080  13.494
  376   1HB   PRO  53          1HB       PRO  53   4.945  -6.440  10.805
  377   2HB   PRO  53          2HB       PRO  53   4.473  -4.992  11.708
  378   1HG   PRO  53          1HG       PRO  53   6.934  -5.353   9.931
  379   2HG   PRO  53          2HG       PRO  53   5.781  -3.999   9.940
  380   1HD   PRO  53          1HD       PRO  53   8.219  -3.920  11.287
  381   2HD   PRO  53          2HD       PRO  53   6.785  -3.030  11.883
  382    H    THR  54           H        THR  54   5.177  -8.176  11.726
  383    HA   THR  54           HA       THR  54   7.771  -9.749  11.752
  384    HB   THR  54           HB       THR  54   7.205 -11.428  13.186
  385    HG1  THR  54           HG1      THR  54   4.551 -11.011  13.568
  386   1HG2  THR  54          1HG2      THR  54   6.185 -10.600  15.281
  387   2HG2  THR  54          2HG2      THR  54   7.267  -9.358  14.609
  388   3HG2  THR  54          3HG2      THR  54   5.501  -9.187  14.442
  389    H    LYS  55           H        LYS  55   7.473 -11.867  10.651
  390    HA   LYS  55           HA       LYS  55   6.101 -11.658   8.040
  391   1HB   LYS  55          1HB       LYS  55   8.197 -13.054   8.523
  392   2HB   LYS  55          2HB       LYS  55   6.974 -13.803   7.518
  393   1HG   LYS  55          1HG       LYS  55   7.393 -14.369  10.515
  394   2HG   LYS  55          2HG       LYS  55   6.161 -15.127   9.527
  395   1HD   LYS  55          1HD       LYS  55   7.658 -16.611   8.529
  396   2HD   LYS  55          2HD       LYS  55   8.921 -15.398   8.404
  397   1HE   LYS  55          1HE       LYS  55   8.278 -16.457  11.187
  398   2HE   LYS  55          2HE       LYS  55   9.182 -17.500  10.089
  399   1HZ   LYS  55          1HZ       LYS  55  10.084 -14.711  10.401
  400   2HZ   LYS  55          2HZ       LYS  55  10.385 -15.774  11.630
  401   3HZ   LYS  55          3HZ       LYS  55  10.974 -16.073  10.115
  402    H    GLU  56           H        GLU  56   5.371 -13.088  11.178
  403    HA   GLU  56           HA       GLU  56   3.146 -14.816  10.476
  404   1HB   GLU  56          1HB       GLU  56   3.772 -13.413  13.122
  405   2HB   GLU  56          2HB       GLU  56   2.434 -14.527  12.927
  406   1HG   GLU  56          1HG       GLU  56   5.239 -15.469  12.143
  407   2HG   GLU  56          2HG       GLU  56   4.837 -15.332  13.846
  408    H    GLU  57           H        GLU  57   3.173 -11.447  11.673
  409    HA   GLU  57           HA       GLU  57   0.245 -11.011  11.482
  410   1HB   GLU  57          1HB       GLU  57   0.842  -8.540  11.696
  411   2HB   GLU  57          2HB       GLU  57   1.266  -9.594  13.033
  412   1HG   GLU  57          1HG       GLU  57   3.691  -9.632  12.142
  413   2HG   GLU  57          2HG       GLU  57   3.212  -8.443  10.939
  414    H    LEU  58           H        LEU  58   3.026 -10.600   9.362
  415    HA   LEU  58           HA       LEU  58   1.881  -9.036   7.203
  416   1HB   LEU  58          1HB       LEU  58   4.359  -9.894   7.592
  417   2HB   LEU  58          2HB       LEU  58   3.861 -11.309   6.690
  418    HG   LEU  58           HG       LEU  58   4.279  -8.464   5.723
  419   1HD1  LEU  58          1HD1      LEU  58   5.362  -9.650   3.787
  420   2HD1  LEU  58          2HD1      LEU  58   6.064 -10.157   5.330
  421   3HD1  LEU  58          3HD1      LEU  58   4.914 -11.226   4.489
  422   1HD2  LEU  58          1HD2      LEU  58   2.358 -10.400   4.263
  423   2HD2  LEU  58          2HD2      LEU  58   1.896  -8.869   5.048
  424   3HD2  LEU  58          3HD2      LEU  58   2.963  -8.848   3.631
  425    H    ASP  59           H        ASP  59   1.700 -12.460   8.015
  426    HA   ASP  59           HA       ASP  59   0.467 -13.460   5.557
  427   1HB   ASP  59          1HB       ASP  59   0.962 -14.584   8.283
  428   2HB   ASP  59          2HB       ASP  59   1.266 -15.264   6.701
  429    H    ALA  60           H        ALA  60  -0.833 -12.135   8.571
  430    HA   ALA  60           HA       ALA  60  -3.671 -12.662   8.152
  431   1HB   ALA  60          1HB       ALA  60  -4.065 -10.928   9.895
  432   2HB   ALA  60          2HB       ALA  60  -2.765 -12.040  10.368
  433   3HB   ALA  60          3HB       ALA  60  -2.368 -10.399   9.797
  434    H    ILE  61           H        ILE  61  -1.823  -9.623   7.687
  435    HA   ILE  61           HA       ILE  61  -3.735  -7.942   6.485
  436    HB   ILE  61           HB       ILE  61  -0.746  -8.052   6.294
  437   1HG1  ILE  61          1HG1      ILE  61  -2.516  -6.615   7.899
  438   2HG1  ILE  61          2HG1      ILE  61  -2.232  -5.440   6.633
  439   1HG2  ILE  61          1HG2      ILE  61  -0.602  -6.221   4.586
  440   2HG2  ILE  61          2HG2      ILE  61  -1.310  -7.673   3.883
  441   3HG2  ILE  61          3HG2      ILE  61  -2.361  -6.306   4.319
  442   1HD1  ILE  61          1HD1      ILE  61   0.215  -5.425   7.026
  443   2HD1  ILE  61          2HD1      ILE  61  -0.667  -5.115   8.537
  444   3HD1  ILE  61          3HD1      ILE  61   0.049  -6.717   8.248
  445    H    ILE  62           H        ILE  62  -1.876 -10.613   5.132
  446    HA   ILE  62           HA       ILE  62  -2.402 -10.208   2.266
  447    HB   ILE  62           HB       ILE  62  -1.167 -12.317   3.913
  448   1HG1  ILE  62          1HG1      ILE  62  -0.070 -12.607   1.383
  449   2HG1  ILE  62          2HG1      ILE  62  -0.692 -10.978   1.235
  450   1HG2  ILE  62          1HG2      ILE  62  -1.533 -14.247   2.354
  451   2HG2  ILE  62          2HG2      ILE  62  -3.060 -13.742   3.074
  452   3HG2  ILE  62          3HG2      ILE  62  -2.685 -13.282   1.398
  453   1HD1  ILE  62          1HD1      ILE  62   1.335 -11.862   3.371
  454   2HD1  ILE  62          2HD1      ILE  62   1.626 -10.836   1.951
  455   3HD1  ILE  62          3HD1      ILE  62   0.599 -10.238   3.275
  456    H    GLU  63           H        GLU  63  -3.946 -12.288   4.732
  457    HA   GLU  63           HA       GLU  63  -6.019 -13.498   3.186
  458   1HB   GLU  63          1HB       GLU  63  -5.980 -14.454   5.251
  459   2HB   GLU  63          2HB       GLU  63  -5.650 -12.956   6.097
  460   1HG   GLU  63          1HG       GLU  63  -8.439 -13.268   4.916
  461   2HG   GLU  63          2HG       GLU  63  -7.935 -12.418   6.367
  462    H    GLU  64           H        GLU  64  -5.839 -10.277   4.597
  463    HA   GLU  64           HA       GLU  64  -8.645  -9.480   4.240
  464   1HB   GLU  64          1HB       GLU  64  -6.770  -8.418   5.752
  465   2HB   GLU  64          2HB       GLU  64  -6.356  -7.470   4.338
  466   1HG   GLU  64          1HG       GLU  64  -8.748  -6.567   4.272
  467   2HG   GLU  64          2HG       GLU  64  -7.828  -6.114   5.697
  468    H    VAL  65           H        VAL  65  -5.674  -8.886   2.356
  469    HA   VAL  65           HA       VAL  65  -7.318  -7.885  -0.016
  470    HB   VAL  65           HB       VAL  65  -4.301  -7.666  -0.005
  471   1HG1  VAL  65          1HG1      VAL  65  -6.043  -5.596   1.482
  472   2HG1  VAL  65          2HG1      VAL  65  -5.077  -6.839   2.300
  473   3HG1  VAL  65          3HG1      VAL  65  -4.270  -5.601   1.308
  474   1HG2  VAL  65          1HG2      VAL  65  -4.660  -5.675  -1.379
  475   2HG2  VAL  65          2HG2      VAL  65  -5.745  -6.931  -2.023
  476   3HG2  VAL  65          3HG2      VAL  65  -6.401  -5.638  -1.010
  477    H    ASP  66           H        ASP  66  -7.259 -10.630   0.782
  478    HA   ASP  66           HA       ASP  66  -6.523 -11.868  -1.856
  479   1HB   ASP  66          1HB       ASP  66  -4.421 -11.957  -0.215
  480   2HB   ASP  66          2HB       ASP  66  -5.293 -13.263   0.554
  481    H    GLU  67           H        GLU  67  -8.899 -11.266  -0.423
  482    HA   GLU  67           HA       GLU  67 -10.047 -13.768   0.778
  483   1HB   GLU  67          1HB       GLU  67 -11.728 -12.499   1.542
  484   2HB   GLU  67          2HB       GLU  67 -10.687 -11.149   1.138
  485   1HG   GLU  67          1HG       GLU  67 -11.905 -11.045  -1.171
  486   2HG   GLU  67          2HG       GLU  67 -13.039 -12.225  -0.535
  487    H    ASP  68           H        ASP  68 -10.522 -11.846  -2.198
  488    HA   ASP  68           HA       ASP  68 -10.890 -14.321  -3.873
  489   1HB   ASP  68          1HB       ASP  68 -13.227 -12.347  -3.909
  490   2HB   ASP  68          2HB       ASP  68 -13.205 -13.701  -2.803
  491    H    GLY  69           H        GLY  69 -10.358 -13.969  -5.958
  492   1HA   GLY  69          1HA       GLY  69  -9.393 -12.875  -7.894
  493   2HA   GLY  69          2HA       GLY  69 -10.429 -11.500  -7.495
  494    H    SER  70           H        SER  70  -8.894  -9.987  -7.974
  495    HA   SER  70           HA       SER  70  -7.038  -8.484  -7.652
  496   1HB   SER  70          1HB       SER  70  -6.948  -7.576  -5.534
  497   2HB   SER  70          2HB       SER  70  -8.487  -8.435  -5.425
  498    HG   SER  70           HG       SER  70  -7.671  -9.715  -4.019
  499    H    GLY  71           H        GLY  71  -4.971  -8.620  -5.735
  500   1HA   GLY  71          1HA       GLY  71  -3.173 -10.729  -6.990
  501   2HA   GLY  71          2HA       GLY  71  -3.382 -10.848  -5.240
  502    H    THR  72           H        THR  72  -3.353  -7.840  -7.083
  503    HA   THR  72           HA       THR  72  -0.657  -7.092  -5.867
  504    HB   THR  72           HB       THR  72  -0.572  -5.358  -7.818
  505    HG1  THR  72           HG1      THR  72  -1.994  -7.258  -9.241
  506   1HG2  THR  72          1HG2      THR  72   1.170  -6.902  -8.077
  507   2HG2  THR  72          2HG2      THR  72   0.097  -8.319  -8.070
  508   3HG2  THR  72          3HG2      THR  72   0.206  -7.286  -9.520
  509    H    ILE  73           H        ILE  73  -0.403  -5.080  -4.960
  510    HA   ILE  73           HA       ILE  73  -2.961  -3.612  -4.224
  511    HB   ILE  73           HB       ILE  73  -1.759  -4.654  -2.330
  512   1HG1  ILE  73          1HG1      ILE  73  -3.305  -2.913  -1.784
  513   2HG1  ILE  73          2HG1      ILE  73  -2.238  -1.643  -2.355
  514   1HG2  ILE  73          1HG2      ILE  73   0.331  -3.767  -1.364
  515   2HG2  ILE  73          2HG2      ILE  73   0.649  -4.305  -3.019
  516   3HG2  ILE  73          3HG2      ILE  73   0.491  -2.567  -2.667
  517   1HD1  ILE  73          1HD1      ILE  73  -1.225  -3.277   0.007
  518   2HD1  ILE  73          2HD1      ILE  73  -0.958  -1.569  -0.405
  519   3HD1  ILE  73          3HD1      ILE  73  -2.521  -2.079   0.276
  520    H    ASP  74           H        ASP  74  -2.979  -1.337  -4.208
  521    HA   ASP  74           HA       ASP  74  -1.052  -0.043  -6.199
  522   1HB   ASP  74          1HB       ASP  74  -2.997   1.790  -6.207
  523   2HB   ASP  74          2HB       ASP  74  -3.039   0.372  -7.229
  524    H    PHE  75           H        PHE  75  -0.998   2.454  -5.777
  525    HA   PHE  75           HA       PHE  75   0.554   2.828  -3.288
  526   1HB   PHE  75          1HB       PHE  75   1.129   3.975  -5.434
  527   2HB   PHE  75          2HB       PHE  75  -0.352   4.894  -5.383
  528    HD1  PHE  75           HD1      PHE  75   2.109   4.128  -2.574
  529    HD2  PHE  75           HD2      PHE  75   0.280   7.162  -5.017
  530    HE1  PHE  75           HE1      PHE  75   3.309   5.874  -1.323
  531    HE2  PHE  75           HE2      PHE  75   1.498   8.893  -3.759
  532    HZ   PHE  75           HZ       PHE  75   2.963   8.259  -1.876
  533    H    GLU  76           H        GLU  76  -2.714   3.549  -4.375
  534    HA   GLU  76           HA       GLU  76  -3.564   5.405  -2.293
  535   1HB   GLU  76          1HB       GLU  76  -5.939   4.553  -2.865
  536   2HB   GLU  76          2HB       GLU  76  -5.187   3.494  -4.042
  537   1HG   GLU  76          1HG       GLU  76  -6.130   5.793  -4.865
  538   2HG   GLU  76          2HG       GLU  76  -4.571   5.275  -5.483
  539    H    GLU  77           H        GLU  77  -4.264   1.913  -2.619
  540    HA   GLU  77           HA       GLU  77  -5.395   1.433   0.016
  541   1HB   GLU  77          1HB       GLU  77  -4.013  -0.457  -1.939
  542   2HB   GLU  77          2HB       GLU  77  -4.548  -1.015  -0.366
  543   1HG   GLU  77          1HG       GLU  77  -6.420   0.292  -2.446
  544   2HG   GLU  77          2HG       GLU  77  -6.173  -1.439  -2.298
  545    H    PHE  78           H        PHE  78  -2.079   1.610  -1.150
  546    HA   PHE  78           HA       PHE  78  -0.651   0.422   1.073
  547   1HB   PHE  78          1HB       PHE  78   0.159   2.450  -1.056
  548   2HB   PHE  78          2HB       PHE  78   0.599   0.768  -0.925
  549    HD1  PHE  78           HD1      PHE  78   1.404   0.864   2.137
  550    HD2  PHE  78           HD2      PHE  78   2.342   3.456  -1.167
  551    HE1  PHE  78           HE1      PHE  78   3.530   1.485   3.213
  552    HE2  PHE  78           HE2      PHE  78   4.460   4.067  -0.074
  553    HZ   PHE  78           HZ       PHE  78   5.035   3.123   2.135
  554    H    LEU  79           H        LEU  79  -1.724   3.759   0.469
  555    HA   LEU  79           HA       LEU  79  -0.618   4.999   2.911
  556   1HB   LEU  79          1HB       LEU  79  -2.390   6.821   2.430
  557   2HB   LEU  79          2HB       LEU  79  -2.902   5.871   1.052
  558    HG   LEU  79           HG       LEU  79  -0.558   6.063   0.067
  559   1HD1  LEU  79          1HD1      LEU  79  -0.038   8.115   2.312
  560   2HD1  LEU  79          2HD1      LEU  79   0.659   6.485   2.270
  561   3HD1  LEU  79          3HD1      LEU  79   1.077   7.660   0.999
  562   1HD2  LEU  79          1HD2      LEU  79  -0.832   8.359  -0.766
  563   2HD2  LEU  79          2HD2      LEU  79  -2.464   7.683  -0.543
  564   3HD2  LEU  79          3HD2      LEU  79  -1.815   8.821   0.647
  565    H    VAL  80           H        VAL  80  -3.611   3.340   2.070
  566    HA   VAL  80           HA       VAL  80  -5.233   4.058   4.392
  567    HB   VAL  80           HB       VAL  80  -5.433   1.837   2.343
  568   1HG1  VAL  80          1HG1      VAL  80  -7.509   3.971   3.140
  569   2HG1  VAL  80          2HG1      VAL  80  -6.285   4.235   1.891
  570   3HG1  VAL  80          3HG1      VAL  80  -7.494   2.948   1.680
  571   1HG2  VAL  80          1HG2      VAL  80  -7.462   0.888   3.340
  572   2HG2  VAL  80          2HG2      VAL  80  -6.180   0.781   4.569
  573   3HG2  VAL  80          3HG2      VAL  80  -7.417   2.040   4.697
  574    H    MET  81           H        MET  81  -2.827   1.563   3.765
  575    HA   MET  81           HA       MET  81  -3.308  -0.141   6.113
  576   1HB   MET  81          1HB       MET  81  -1.189  -1.248   5.600
  577   2HB   MET  81          2HB       MET  81  -0.646   0.096   4.612
  578   1HG   MET  81          1HG       MET  81  -1.495  -0.951   2.777
  579   2HG   MET  81          2HG       MET  81  -3.130  -0.722   3.417
  580   1HE   MET  81          1HE       MET  81  -0.041  -2.718   3.032
  581   2HE   MET  81          2HE       MET  81  -0.073  -3.667   4.547
  582   3HE   MET  81          3HE       MET  81  -0.609  -4.417   3.015
  583    H    MET  82           H        MET  82  -0.866   2.375   5.416
  584    HA   MET  82           HA       MET  82   0.594   2.265   7.922
  585   1HB   MET  82          1HB       MET  82   1.541   4.467   7.359
  586   2HB   MET  82          2HB       MET  82   0.265   4.782   6.197
  587   1HG   MET  82          1HG       MET  82   1.113   2.765   4.815
  588   2HG   MET  82          2HG       MET  82   2.482   2.660   5.933
  589   1HE   MET  82          1HE       MET  82   4.344   5.350   6.142
  590   2HE   MET  82          2HE       MET  82   4.416   3.598   5.790
  591   3HE   MET  82          3HE       MET  82   5.017   4.772   4.585
  592    H    VAL  83           H        VAL  83  -2.117   4.342   6.897
  593    HA   VAL  83           HA       VAL  83  -2.417   5.851   9.391
  594    HB   VAL  83           HB       VAL  83  -4.152   5.478   6.952
  595   1HG1  VAL  83          1HG1      VAL  83  -3.287   8.065   8.388
  596   2HG1  VAL  83          2HG1      VAL  83  -2.312   7.279   7.138
  597   3HG1  VAL  83          3HG1      VAL  83  -3.931   7.895   6.734
  598   1HG2  VAL  83          1HG2      VAL  83  -6.056   6.724   7.839
  599   2HG2  VAL  83          2HG2      VAL  83  -5.797   5.354   8.944
  600   3HG2  VAL  83          3HG2      VAL  83  -5.259   6.973   9.414
  601    NH1  ARG  84           NH1      ARG  84  -8.893  -3.155   8.319
  602    NH2  ARG  84           NH2      ARG  84  -9.025  -2.770   6.085
  603    H    ARG  84           H        ARG  84  -3.648   2.760   8.234
  604    HA   ARG  84           HA       ARG  84  -5.730   2.208  10.242
  605   1HB   ARG  84          1HB       ARG  84  -4.694  -0.317   9.570
  606   2HB   ARG  84          2HB       ARG  84  -4.257   0.653   8.170
  607   1HG   ARG  84          1HG       ARG  84  -7.066   1.170   9.004
  608   2HG   ARG  84          2HG       ARG  84  -6.405   0.829   7.404
  609   1HD   ARG  84          1HD       ARG  84  -6.112  -1.679   8.427
  610   2HD   ARG  84          2HD       ARG  84  -7.388  -1.144   9.518
  611    HE   ARG  84           HE       ARG  84  -8.237  -0.472   6.813
  612   1HH1  ARG  84          1HH1      ARG  84  -9.469  -3.694   6.032
  613   2HH1  ARG  84          2HH1      ARG  84  -8.869  -2.118   5.308
  614   1HH2  ARG  84          1HH2      ARG  84  -8.475  -2.893   9.219
  615   2HH2  ARG  84          2HH2      ARG  84  -9.514  -3.952   8.139
  616    H    GLN  85           H        GLN  85  -2.216   1.719  10.154
  617    HA   GLN  85           HA       GLN  85  -2.053   0.002  12.584
  618   1HB   GLN  85          1HB       GLN  85  -0.345  -0.051  10.718
  619   2HB   GLN  85          2HB       GLN  85   0.181   1.561  11.169
  620   1HG   GLN  85          1HG       GLN  85   1.751  -0.052  12.092
  621   2HG   GLN  85          2HG       GLN  85   0.928   0.745  13.417
  622   1HE2  GLN  85          1HE2      GLN  85   0.689  -3.320  13.056
  623   2HE2  GLN  85          2HE2      GLN  85   1.710  -2.252  11.967
  624    H    MET  86           H        MET  86  -1.019   3.349  11.863
  625    HA   MET  86           HA       MET  86  -0.130   4.207  14.437
  626   1HB   MET  86          1HB       MET  86  -1.046   5.613  11.975
  627   2HB   MET  86          2HB       MET  86  -1.352   6.533  13.438
  628   1HG   MET  86          1HG       MET  86   1.290   5.737  13.894
  629   2HG   MET  86          2HG       MET  86   1.265   5.870  12.129
  630   1HE   MET  86          1HE       MET  86   0.313   9.437  11.284
  631   2HE   MET  86          2HE       MET  86   1.863   8.572  11.065
  632   3HE   MET  86          3HE       MET  86   0.319   7.708  10.812
  633    H    LYS  87           H        LYS  87  -3.396   3.937  13.148
  634    HA   LYS  87           HA       LYS  87  -4.950   5.284  15.190
  635   1HB   LYS  87          1HB       LYS  87  -5.725   4.129  12.920
  636   2HB   LYS  87          2HB       LYS  87  -5.975   2.702  13.905
  637   1HG   LYS  87          1HG       LYS  87  -7.748   4.905  13.493
  638   2HG   LYS  87          2HG       LYS  87  -8.020   3.476  14.471
  639   1HD   LYS  87          1HD       LYS  87  -6.662   4.864  16.359
  640   2HD   LYS  87          2HD       LYS  87  -7.068   6.237  15.341
  641   1HE   LYS  87          1HE       LYS  87  -9.384   6.109  15.757
  642   2HE   LYS  87          2HE       LYS  87  -9.363   4.381  16.113
  643   1HZ   LYS  87          1HZ       LYS  87  -9.541   5.249  18.204
  644   2HZ   LYS  87          2HZ       LYS  87  -7.890   5.230  18.134
  645   3HZ   LYS  87          3HZ       LYS  87  -8.713   6.639  17.869
  646    H    GLU  88           H        GLU  88  -4.117   1.804  14.935
  647    HA   GLU  88           HA       GLU  88  -5.161   0.836  17.444
  648   1HB   GLU  88          1HB       GLU  88  -4.304  -0.642  15.636
  649   2HB   GLU  88          2HB       GLU  88  -2.657  -0.153  15.980
  650   1HG   GLU  88          1HG       GLU  88  -2.553  -1.389  18.018
  651   2HG   GLU  88          2HG       GLU  88  -4.293  -1.369  18.256
  652    H    ASP  89           H        ASP  89  -1.682   1.400  16.872
  653    HA   ASP  89           HA       ASP  89  -1.352   3.164  19.278
  654   1HB   ASP  89          1HB       ASP  89  -1.340   1.217  20.606
  655   2HB   ASP  89          2HB       ASP  89  -0.525   0.245  19.403
  656    H    ALA  90           H        ALA  90   1.025   0.898  17.993
  657    HA   ALA  90           HA       ALA  90   2.900   1.141  16.488
  658   1HB   ALA  90          1HB       ALA  90   1.709   3.855  15.638
  659   2HB   ALA  90          2HB       ALA  90   2.813   2.814  14.719
  660   3HB   ALA  90          3HB       ALA  90   1.125   2.309  14.974
   
  Start of MODEL          29
 Raw file had  660 H/Q atoms
  Start of MODEL   29
    1   1H    ALA   1          1H        ALA   1 -20.940   9.091   4.593
    2   2H    ALA   1          2H        ALA   1 -22.111   8.173   5.377
    3   3H    ALA   1          3H        ALA   1 -21.886   9.786   5.797
    4    HA   ALA   1           HA       ALA   1 -19.440   8.941   6.198
    5   1HB   ALA   1          1HB       ALA   1 -19.872   9.314   8.482
    6   2HB   ALA   1          2HB       ALA   1 -21.273  10.124   7.755
    7   3HB   ALA   1          3HB       ALA   1 -21.454   8.498   8.463
    8    H    SER   2           H        SER   2 -19.214   6.993   4.920
    9    HA   SER   2           HA       SER   2 -20.080   4.397   6.312
   10   1HB   SER   2          1HB       SER   2 -19.487   3.371   3.958
   11   2HB   SER   2          2HB       SER   2 -21.036   4.182   4.207
   12    HG   SER   2           HG       SER   2 -20.382   5.219   2.524
   13    H    MET   3           H        MET   3 -17.469   5.775   4.284
   14    HA   MET   3           HA       MET   3 -15.145   5.154   4.031
   15   1HB   MET   3          1HB       MET   3 -14.943   6.824   5.757
   16   2HB   MET   3          2HB       MET   3 -13.807   5.529   6.081
   17   1HG   MET   3          1HG       MET   3 -15.732   4.626   7.753
   18   2HG   MET   3          2HG       MET   3 -14.590   5.889   8.237
   19   1HE   MET   3          1HE       MET   3 -16.838   8.408   9.631
   20   2HE   MET   3          2HE       MET   3 -16.795   6.720  10.222
   21   3HE   MET   3          3HE       MET   3 -15.300   7.489   9.612
   22    H    THR   4           H        THR   4 -16.815   2.960   3.936
   23    HA   THR   4           HA       THR   4 -16.257   0.639   5.533
   24    HB   THR   4           HB       THR   4 -17.026   1.041   2.671
   25    HG1  THR   4           HG1      THR   4 -18.352   0.699   4.597
   26   1HG2  THR   4          1HG2      THR   4 -16.902  -1.346   2.062
   27   2HG2  THR   4          2HG2      THR   4 -15.256  -0.728   2.324
   28   3HG2  THR   4          3HG2      THR   4 -16.035  -1.750   3.559
   29    H    ASP   5           H        ASP   5 -14.225   2.457   3.348
   30    HA   ASP   5           HA       ASP   5 -11.720   1.227   4.396
   31   1HB   ASP   5          1HB       ASP   5 -10.844   0.440   2.153
   32   2HB   ASP   5          2HB       ASP   5 -12.059  -0.575   2.896
   33    H    GLN   6           H        GLN   6 -11.926   3.541   4.917
   34    HA   GLN   6           HA       GLN   6 -12.080   5.821   3.266
   35   1HB   GLN   6          1HB       GLN   6 -10.019   6.598   5.003
   36   2HB   GLN   6          2HB       GLN   6 -11.748   6.761   5.260
   37   1HG   GLN   6          1HG       GLN   6 -10.545   5.741   7.212
   38   2HG   GLN   6          2HG       GLN   6 -11.874   4.762   6.628
   39   1HE2  GLN   6          1HE2      GLN   6  -9.637   1.970   6.585
   40   2HE2  GLN   6          2HE2      GLN   6 -11.243   2.706   7.082
   41    H    GLN   7           H        GLN   7 -11.255   5.624   1.262
   42    HA   GLN   7           HA       GLN   7  -8.364   5.032   0.663
   43   1HB   GLN   7          1HB       GLN   7  -9.232   6.060  -1.692
   44   2HB   GLN   7          2HB       GLN   7  -9.461   4.389  -1.208
   45   1HG   GLN   7          1HG       GLN   7 -11.771   4.649  -0.763
   46   2HG   GLN   7          2HG       GLN   7 -11.654   6.373  -0.476
   47   1HE2  GLN   7          1HE2      GLN   7 -12.882   6.915  -3.786
   48   2HE2  GLN   7          2HE2      GLN   7 -12.778   7.421  -2.025
   49    H    ALA   8           H        ALA   8 -10.548   7.868   0.464
   50    HA   ALA   8           HA       ALA   8  -8.363   9.782  -0.231
   51   1HB   ALA   8          1HB       ALA   8 -11.022   9.788  -0.773
   52   2HB   ALA   8          2HB       ALA   8 -11.055  10.818   0.671
   53   3HB   ALA   8          3HB       ALA   8 -10.060  11.285  -0.731
   54    H    GLU   9           H        GLU   9 -10.359   9.020   2.612
   55    HA   GLU   9           HA       GLU   9  -9.663  11.022   4.503
   56   1HB   GLU   9          1HB       GLU   9 -10.966   8.539   4.651
   57   2HB   GLU   9          2HB       GLU   9  -9.614   8.329   5.746
   58   1HG   GLU   9          1HG       GLU   9 -11.202  10.902   6.061
   59   2HG   GLU   9          2HG       GLU   9 -10.403   9.928   7.284
   60    H    ALA  10           H        ALA  10  -7.755   8.295   3.344
   61    HA   ALA  10           HA       ALA  10  -5.646   8.115   5.279
   62   1HB   ALA  10          1HB       ALA  10  -4.263   7.092   3.480
   63   2HB   ALA  10          2HB       ALA  10  -5.921   6.463   3.458
   64   3HB   ALA  10          3HB       ALA  10  -5.406   7.656   2.238
   65    NH1  ARG  11           NH1      ARG  11  -4.780  11.266  -4.334
   66    NH2  ARG  11           NH2      ARG  11  -6.311   9.595  -4.188
   67    H    ARG  11           H        ARG  11  -5.703  10.041   2.263
   68    HA   ARG  11           HA       ARG  11  -3.139  11.444   2.640
   69   1HB   ARG  11          1HB       ARG  11  -3.702  12.772   0.737
   70   2HB   ARG  11          2HB       ARG  11  -5.431  12.621   1.013
   71   1HG   ARG  11          1HG       ARG  11  -3.679  10.223   0.214
   72   2HG   ARG  11          2HG       ARG  11  -5.440  10.248   0.323
   73   1HD   ARG  11          1HD       ARG  11  -3.676  11.711  -1.731
   74   2HD   ARG  11          2HD       ARG  11  -5.352  12.191  -1.476
   75    HE   ARG  11           HE       ARG  11  -5.203   9.275  -1.932
   76   1HH1  ARG  11          1HH1      ARG  11  -6.513   9.801  -5.172
   77   2HH1  ARG  11          2HH1      ARG  11  -6.730   8.853  -3.616
   78   1HH2  ARG  11          1HH2      ARG  11  -4.169  11.926  -3.839
   79   2HH2  ARG  11          2HH2      ARG  11  -4.947  11.224  -5.346
   80    H    ALA  12           H        ALA  12  -6.491  12.115   3.520
   81    HA   ALA  12           HA       ALA  12  -6.311  14.940   4.241
   82   1HB   ALA  12          1HB       ALA  12  -8.392  14.580   5.552
   83   2HB   ALA  12          2HB       ALA  12  -8.494  13.805   3.959
   84   3HB   ALA  12          3HB       ALA  12  -8.213  12.815   5.413
   85    H    PHE  13           H        PHE  13  -5.492  11.971   5.953
   86    HA   PHE  13           HA       PHE  13  -5.104  13.213   8.629
   87   1HB   PHE  13          1HB       PHE  13  -5.764  10.782   8.227
   88   2HB   PHE  13          2HB       PHE  13  -4.150  10.453   7.653
   89    HD1  PHE  13           HD1      PHE  13  -4.588   8.719   9.702
   90    HD2  PHE  13           HD2      PHE  13  -3.846  12.926  10.229
   91    HE1  PHE  13           HE1      PHE  13  -3.949   8.325  12.046
   92    HE2  PHE  13           HE2      PHE  13  -3.230  12.513  12.574
   93    HZ   PHE  13           HZ       PHE  13  -3.264  10.216  13.483
   94    H    LEU  14           H        LEU  14  -3.039  12.116   5.956
   95    HA   LEU  14           HA       LEU  14  -0.472  12.943   7.298
   96   1HB   LEU  14          1HB       LEU  14  -0.677  12.096   4.372
   97   2HB   LEU  14          2HB       LEU  14   0.685  11.954   5.462
   98    HG   LEU  14           HG       LEU  14  -1.909  10.308   5.718
   99   1HD1  LEU  14          1HD1      LEU  14   0.784   9.881   7.161
  100   2HD1  LEU  14          2HD1      LEU  14  -0.632  10.651   7.900
  101   3HD1  LEU  14          3HD1      LEU  14  -0.715   8.945   7.393
  102   1HD2  LEU  14          1HD2      LEU  14  -0.689   8.402   4.754
  103   2HD2  LEU  14          2HD2      LEU  14  -0.520   9.766   3.622
  104   3HD2  LEU  14          3HD2      LEU  14   0.829   9.332   4.681
  105    H    SER  15           H        SER  15   1.065  14.226   5.810
  106    HA   SER  15           HA       SER  15  -0.177  16.918   5.284
  107   1HB   SER  15          1HB       SER  15   2.777  16.309   4.866
  108   2HB   SER  15          2HB       SER  15   2.110  16.383   6.499
  109    HG   SER  15           HG       SER  15   2.925  18.365   5.325
  110    H    GLU  16           H        GLU  16   0.991  18.062   3.303
  111    HA   GLU  16           HA       GLU  16   0.001  16.661   0.830
  112   1HB   GLU  16          1HB       GLU  16  -0.358  19.182   1.499
  113   2HB   GLU  16          2HB       GLU  16   1.249  19.441   0.850
  114   1HG   GLU  16          1HG       GLU  16  -0.910  18.059  -0.849
  115   2HG   GLU  16          2HG       GLU  16   0.575  18.814  -1.400
  116    H    GLU  17           H        GLU  17   3.016  17.848   2.232
  117    HA   GLU  17           HA       GLU  17   4.688  17.153  -0.182
  118   1HB   GLU  17          1HB       GLU  17   5.368  18.444   2.498
  119   2HB   GLU  17          2HB       GLU  17   6.625  17.894   1.408
  120   1HG   GLU  17          1HG       GLU  17   4.445  19.882   0.511
  121   2HG   GLU  17          2HG       GLU  17   5.922  19.476  -0.347
  122    H    MET  18           H        MET  18   3.975  15.957   3.055
  123    HA   MET  18           HA       MET  18   5.919  13.892   3.480
  124   1HB   MET  18          1HB       MET  18   4.368  14.286   5.256
  125   2HB   MET  18          2HB       MET  18   2.965  14.036   4.233
  126   1HG   MET  18          1HG       MET  18   3.226  11.629   4.226
  127   2HG   MET  18          2HG       MET  18   4.899  11.718   4.801
  128   1HE   MET  18          1HE       MET  18   4.865  11.786   8.448
  129   2HE   MET  18          2HE       MET  18   5.736  11.963   6.896
  130   3HE   MET  18          3HE       MET  18   5.067  13.407   7.710
  131    H    ILE  19           H        ILE  19   3.097  13.983   1.366
  132    HA   ILE  19           HA       ILE  19   2.883  11.221   0.533
  133    HB   ILE  19           HB       ILE  19   2.086  13.829  -0.755
  134   1HG1  ILE  19          1HG1      ILE  19  -0.151  13.058  -0.513
  135   2HG1  ILE  19          2HG1      ILE  19   0.296  11.365  -0.554
  136   1HG2  ILE  19          1HG2      ILE  19   1.296  12.710  -2.852
  137   2HG2  ILE  19          2HG2      ILE  19   3.047  12.574  -2.711
  138   3HG2  ILE  19          3HG2      ILE  19   2.024  11.170  -2.332
  139   1HD1  ILE  19          1HD1      ILE  19   0.733  13.208   1.869
  140   2HD1  ILE  19          2HD1      ILE  19  -0.450  11.894   1.699
  141   3HD1  ILE  19          3HD1      ILE  19   1.288  11.515   1.765
  142    H    ALA  20           H        ALA  20   4.783  13.895  -0.903
  143    HA   ALA  20           HA       ALA  20   6.047  12.584  -3.086
  144   1HB   ALA  20          1HB       ALA  20   7.754  14.506  -1.484
  145   2HB   ALA  20          2HB       ALA  20   7.455  14.431  -3.232
  146   3HB   ALA  20          3HB       ALA  20   6.216  15.109  -2.145
  147    H    GLU  21           H        GLU  21   6.850  12.462   0.351
  148    HA   GLU  21           HA       GLU  21   9.502  11.193   0.115
  149   1HB   GLU  21          1HB       GLU  21   8.791  10.546   2.675
  150   2HB   GLU  21          2HB       GLU  21   7.642  11.837   2.390
  151   1HG   GLU  21          1HG       GLU  21   9.558  12.871   3.415
  152   2HG   GLU  21          2HG       GLU  21  10.702  11.994   2.413
  153    H    PHE  22           H        PHE  22   6.210  10.011   0.726
  154    HA   PHE  22           HA       PHE  22   6.806   7.183   1.219
  155   1HB   PHE  22          1HB       PHE  22   4.274   8.629   0.290
  156   2HB   PHE  22          2HB       PHE  22   4.318   6.886   0.336
  157    HD1  PHE  22           HD1      PHE  22   5.107   5.814   2.704
  158    HD2  PHE  22           HD2      PHE  22   3.628   9.829   2.237
  159    HE1  PHE  22           HE1      PHE  22   4.741   5.972   5.130
  160    HE2  PHE  22           HE2      PHE  22   3.269   9.967   4.668
  161    HZ   PHE  22           HZ       PHE  22   3.793   8.032   6.113
  162    H    LYS  23           H        LYS  23   6.347   9.133  -1.673
  163    HA   LYS  23           HA       LYS  23   6.003   7.060  -3.690
  164   1HB   LYS  23          1HB       LYS  23   7.078   8.876  -5.281
  165   2HB   LYS  23          2HB       LYS  23   7.068   9.928  -3.882
  166   1HG   LYS  23          1HG       LYS  23   4.625   8.621  -5.217
  167   2HG   LYS  23          2HG       LYS  23   4.519   9.482  -3.694
  168   1HD   LYS  23          1HD       LYS  23   5.834  11.358  -5.383
  169   2HD   LYS  23          2HD       LYS  23   4.159  11.378  -4.856
  170   1HE   LYS  23          1HE       LYS  23   4.925   9.751  -7.335
  171   2HE   LYS  23          2HE       LYS  23   3.332  10.363  -6.885
  172   1HZ   LYS  23          1HZ       LYS  23   5.416  12.380  -7.287
  173   2HZ   LYS  23          2HZ       LYS  23   4.917  11.570  -8.637
  174   3HZ   LYS  23          3HZ       LYS  23   3.824  12.408  -7.725
  175    H    ALA  24           H        ALA  24   8.920   8.733  -2.488
  176    HA   ALA  24           HA       ALA  24  10.931   7.641  -4.220
  177   1HB   ALA  24          1HB       ALA  24  12.576   8.212  -2.444
  178   2HB   ALA  24          2HB       ALA  24  11.386   9.510  -2.655
  179   3HB   ALA  24          3HB       ALA  24  11.269   8.416  -1.253
  180    H    ALA  25           H        ALA  25   9.515   6.312  -1.251
  181    HA   ALA  25           HA       ALA  25  11.377   4.015  -0.982
  182   1HB   ALA  25          1HB       ALA  25   9.866   3.281   0.854
  183   2HB   ALA  25          2HB       ALA  25  10.274   5.001   1.006
  184   3HB   ALA  25          3HB       ALA  25   8.667   4.518   0.405
  185    H    PHE  26           H        PHE  26   8.104   4.506  -2.253
  186    HA   PHE  26           HA       PHE  26   7.332   1.751  -2.745
  187   1HB   PHE  26          1HB       PHE  26   6.423   4.127  -4.464
  188   2HB   PHE  26          2HB       PHE  26   5.859   3.899  -2.830
  189    HD1  PHE  26           HD1      PHE  26   3.922   2.521  -2.459
  190    HD2  PHE  26           HD2      PHE  26   6.123   2.020  -6.121
  191    HE1  PHE  26           HE1      PHE  26   2.147   1.059  -3.338
  192    HE2  PHE  26           HE2      PHE  26   4.344   0.550  -6.978
  193    HZ   PHE  26           HZ       PHE  26   2.376   0.035  -5.576
  194    H    ASP  27           H        ASP  27   9.234   4.070  -4.597
  195    HA   ASP  27           HA       ASP  27   9.363   2.633  -7.167
  196   1HB   ASP  27          1HB       ASP  27   9.945   5.140  -6.710
  197   2HB   ASP  27          2HB       ASP  27  11.514   4.574  -6.187
  198    H    MET  28           H        MET  28  11.077   2.397  -4.131
  199    HA   MET  28           HA       MET  28  13.490   0.991  -4.868
  200   1HB   MET  28          1HB       MET  28  12.477   1.752  -2.441
  201   2HB   MET  28          2HB       MET  28  12.136   0.034  -2.348
  202   1HG   MET  28          1HG       MET  28  14.401  -0.577  -2.227
  203   2HG   MET  28          2HG       MET  28  14.947   0.788  -3.215
  204   1HE   MET  28          1HE       MET  28  16.922   0.719  -0.535
  205   2HE   MET  28          2HE       MET  28  16.746   1.567  -2.100
  206   3HE   MET  28          3HE       MET  28  16.789   2.505  -0.578
  207    H    PHE  29           H        PHE  29  10.232  -0.278  -4.161
  208    HA   PHE  29           HA       PHE  29  11.070  -3.070  -5.137
  209   1HB   PHE  29          1HB       PHE  29   9.162  -3.999  -3.875
  210   2HB   PHE  29          2HB       PHE  29   8.577  -2.410  -3.467
  211    HD1  PHE  29           HD1      PHE  29  12.102  -2.148  -3.162
  212    HD2  PHE  29           HD2      PHE  29   8.686  -3.813  -1.140
  213    HE1  PHE  29           HE1      PHE  29  13.362  -2.198  -1.048
  214    HE2  PHE  29           HE2      PHE  29   9.964  -3.853   0.962
  215    HZ   PHE  29           HZ       PHE  29  12.296  -3.045   1.015
  216    H    ASP  30           H        ASP  30  10.434  -0.780  -6.813
  217    HA   ASP  30           HA       ASP  30   8.072  -1.896  -8.377
  218   1HB   ASP  30          1HB       ASP  30   8.248   1.098  -7.715
  219   2HB   ASP  30          2HB       ASP  30   7.211  -0.032  -6.874
  220    H    ALA  31           H        ALA  31   9.165  -2.534 -10.096
  221    HA   ALA  31           HA       ALA  31  11.583  -1.351 -11.259
  222   1HB   ALA  31          1HB       ALA  31  11.160  -2.889 -13.183
  223   2HB   ALA  31          2HB       ALA  31  10.977  -3.720 -11.626
  224   3HB   ALA  31          3HB       ALA  31   9.533  -3.262 -12.566
  225    H    ASP  32           H        ASP  32   8.147  -0.818 -11.725
  226    HA   ASP  32           HA       ASP  32   8.405   0.790 -14.253
  227   1HB   ASP  32          1HB       ASP  32   5.892   1.397 -13.681
  228   2HB   ASP  32          2HB       ASP  32   6.010   0.123 -12.488
  229    H    GLY  33           H        GLY  33   6.510   1.923 -11.511
  230   1HA   GLY  33          1HA       GLY  33   8.165   3.685 -10.039
  231   2HA   GLY  33          2HA       GLY  33   7.875   4.608 -11.515
  232    H    GLY  34           H        GLY  34   6.214   2.926  -8.862
  233   1HA   GLY  34          1HA       GLY  34   4.475   4.034  -7.437
  234   2HA   GLY  34          2HA       GLY  34   4.131   5.137  -8.769
  235    H    GLY  35           H        GLY  35   4.125   2.862 -10.723
  236   1HA   GLY  35          1HA       GLY  35   2.556   1.285 -11.711
  237   2HA   GLY  35          2HA       GLY  35   1.367   2.472 -11.171
  238    H    ASP  36           H        ASP  36   3.314  -0.243  -9.950
  239    HA   ASP  36           HA       ASP  36   1.537  -0.859  -7.635
  240   1HB   ASP  36          1HB       ASP  36   0.966  -3.243  -8.692
  241   2HB   ASP  36          2HB       ASP  36  -0.090  -1.861  -8.875
  242    H    ILE  37           H        ILE  37   2.172  -3.009  -6.690
  243    HA   ILE  37           HA       ILE  37   4.956  -4.033  -7.357
  244    HB   ILE  37           HB       ILE  37   5.794  -3.769  -5.047
  245   1HG1  ILE  37          1HG1      ILE  37   3.143  -2.333  -4.559
  246   2HG1  ILE  37          2HG1      ILE  37   4.569  -1.690  -3.774
  247   1HG2  ILE  37          1HG2      ILE  37   6.474  -1.374  -5.263
  248   2HG2  ILE  37          2HG2      ILE  37   6.462  -2.150  -6.853
  249   3HG2  ILE  37          3HG2      ILE  37   5.134  -1.057  -6.392
  250   1HD1  ILE  37          1HD1      ILE  37   5.015  -3.805  -2.569
  251   2HD1  ILE  37          2HD1      ILE  37   3.347  -3.262  -2.285
  252   3HD1  ILE  37          3HD1      ILE  37   3.659  -4.602  -3.412
  253    H    SER  38           H        SER  38   5.403  -5.995  -6.092
  254    HA   SER  38           HA       SER  38   3.451  -8.063  -6.121
  255   1HB   SER  38          1HB       SER  38   6.072  -8.076  -5.565
  256   2HB   SER  38          2HB       SER  38   5.507  -8.135  -3.893
  257    HG   SER  38           HG       SER  38   5.756 -10.125  -5.389
  258    H    THR  39           H        THR  39   2.194  -9.051  -4.506
  259    HA   THR  39           HA       THR  39   0.791  -7.145  -2.649
  260    HB   THR  39           HB       THR  39  -0.634  -9.352  -2.206
  261    HG1  THR  39           HG1      THR  39   0.065 -10.905  -3.326
  262   1HG2  THR  39          1HG2      THR  39  -2.147  -8.803  -4.060
  263   2HG2  THR  39          2HG2      THR  39  -1.522  -7.288  -3.370
  264   3HG2  THR  39          3HG2      THR  39  -0.874  -7.901  -4.915
  265    H    LYS  40           H        LYS  40   3.185  -9.652  -2.468
  266    HA   LYS  40           HA       LYS  40   2.729 -10.299   0.439
  267   1HB   LYS  40          1HB       LYS  40   4.553 -11.364  -1.754
  268   2HB   LYS  40          2HB       LYS  40   5.049 -11.618  -0.093
  269   1HG   LYS  40          1HG       LYS  40   3.308 -13.122   0.361
  270   2HG   LYS  40          2HG       LYS  40   2.195 -12.382  -0.772
  271   1HD   LYS  40          1HD       LYS  40   2.842 -13.757  -2.525
  272   2HD   LYS  40          2HD       LYS  40   4.547 -13.597  -2.134
  273   1HE   LYS  40          1HE       LYS  40   2.649 -15.434  -0.551
  274   2HE   LYS  40          2HE       LYS  40   4.401 -15.336  -0.358
  275   1HZ   LYS  40          1HZ       LYS  40   4.735 -16.504  -2.290
  276   2HZ   LYS  40          2HZ       LYS  40   3.262 -17.136  -1.890
  277   3HZ   LYS  40          3HZ       LYS  40   3.370 -15.957  -3.043
  278    H    GLU  41           H        GLU  41   4.662  -8.133  -1.470
  279    HA   GLU  41           HA       GLU  41   6.945  -7.901   0.465
  280   1HB   GLU  41          1HB       GLU  41   7.694  -6.024  -1.133
  281   2HB   GLU  41          2HB       GLU  41   6.305  -6.407  -2.132
  282   1HG   GLU  41          1HG       GLU  41   7.207  -8.468  -2.872
  283   2HG   GLU  41          2HG       GLU  41   8.148  -8.721  -1.411
  284    H    LEU  42           H        LEU  42   3.899  -6.272  -0.039
  285    HA   LEU  42           HA       LEU  42   4.212  -3.606   0.649
  286   1HB   LEU  42          1HB       LEU  42   1.948  -4.553   2.212
  287   2HB   LEU  42          2HB       LEU  42   1.976  -3.627   0.696
  288    HG   LEU  42           HG       LEU  42   2.211  -6.680   0.730
  289   1HD1  LEU  42          1HD1      LEU  42   1.147  -4.788  -1.471
  290   2HD1  LEU  42          2HD1      LEU  42   2.812  -5.384  -1.410
  291   3HD1  LEU  42          3HD1      LEU  42   1.469  -6.534  -1.626
  292   1HD2  LEU  42          1HD2      LEU  42  -0.244  -6.876   0.432
  293   2HD2  LEU  42          2HD2      LEU  42   0.074  -5.985   1.942
  294   3HD2  LEU  42          3HD2      LEU  42  -0.436  -5.105   0.490
  295    H    GLY  43           H        GLY  43   4.522  -6.351   2.834
  296   1HA   GLY  43          1HA       GLY  43   4.987  -6.506   5.235
  297   2HA   GLY  43          2HA       GLY  43   4.395  -4.848   5.375
  298    H    THR  44           H        THR  44   7.146  -6.365   3.628
  299    HA   THR  44           HA       THR  44   9.330  -5.388   5.118
  300    HB   THR  44           HB       THR  44   9.185  -5.849   2.108
  301    HG1  THR  44           HG1      THR  44   9.264  -7.399   4.198
  302   1HG2  THR  44          1HG2      THR  44  11.683  -5.956   2.095
  303   2HG2  THR  44          2HG2      THR  44  11.113  -4.314   2.460
  304   3HG2  THR  44          3HG2      THR  44  11.732  -5.351   3.770
  305    H    VAL  45           H        VAL  45   7.317  -3.764   2.721
  306    HA   VAL  45           HA       VAL  45   8.999  -1.323   2.405
  307    HB   VAL  45           HB       VAL  45   7.219  -2.394   0.735
  308   1HG1  VAL  45          1HG1      VAL  45   5.068  -1.134   0.636
  309   2HG1  VAL  45          2HG1      VAL  45   5.177  -2.046   2.146
  310   3HG1  VAL  45          3HG1      VAL  45   5.460  -0.290   2.157
  311   1HG2  VAL  45          1HG2      VAL  45   7.618   0.665   0.926
  312   2HG2  VAL  45          2HG2      VAL  45   8.710  -0.476   0.108
  313   3HG2  VAL  45          3HG2      VAL  45   7.072  -0.232  -0.515
  314    H    MET  46           H        MET  46   6.293  -2.405   4.384
  315    HA   MET  46           HA       MET  46   5.588   0.295   5.460
  316   1HB   MET  46          1HB       MET  46   4.452  -1.801   7.115
  317   2HB   MET  46          2HB       MET  46   4.371  -2.353   5.452
  318   1HG   MET  46          1HG       MET  46   3.486   0.440   5.502
  319   2HG   MET  46          2HG       MET  46   2.585  -1.011   5.034
  320   1HE   MET  46          1HE       MET  46   2.649  -2.293   8.909
  321   2HE   MET  46          2HE       MET  46   1.187  -2.584   7.920
  322   3HE   MET  46          3HE       MET  46   2.808  -2.828   7.206
  323    NH1  ARG  47           NH1      ARG  47  10.326  -7.605   8.068
  324    NH2  ARG  47           NH2      ARG  47  11.251  -7.469  10.139
  325    H    ARG  47           H        ARG  47   7.900  -2.154   6.228
  326    HA   ARG  47           HA       ARG  47   8.077  -1.479   9.188
  327   1HB   ARG  47          1HB       ARG  47   9.395  -3.657   7.465
  328   2HB   ARG  47          2HB       ARG  47   9.882  -3.336   9.123
  329   1HG   ARG  47          1HG       ARG  47   7.637  -3.871   9.998
  330   2HG   ARG  47          2HG       ARG  47   6.978  -4.024   8.367
  331   1HD   ARG  47          1HD       ARG  47   7.538  -6.257   9.516
  332   2HD   ARG  47          2HD       ARG  47   8.222  -6.057   7.904
  333    HE   ARG  47           HE       ARG  47  10.093  -5.202  10.086
  334   1HH1  ARG  47          1HH1      ARG  47  11.854  -8.241   9.834
  335   2HH1  ARG  47          2HH1      ARG  47  11.233  -7.032  11.067
  336   1HH2  ARG  47          1HH2      ARG  47   9.595  -7.284   7.424
  337   2HH2  ARG  47          2HH2      ARG  47  11.009  -8.353   7.899
  338    H    MET  48           H        MET  48  10.280  -1.738   6.380
  339    HA   MET  48           HA       MET  48  12.645  -0.719   7.736
  340   1HB   MET  48          1HB       MET  48  12.284  -1.875   5.269
  341   2HB   MET  48          2HB       MET  48  12.450  -0.206   4.755
  342   1HG   MET  48          1HG       MET  48  14.720  -0.071   5.364
  343   2HG   MET  48          2HG       MET  48  14.562  -1.244   6.681
  344   1HE   MET  48          1HE       MET  48  16.984  -2.290   3.480
  345   2HE   MET  48          2HE       MET  48  16.759  -0.913   4.598
  346   3HE   MET  48          3HE       MET  48  17.125  -2.537   5.249
  347    H    LEU  49           H        LEU  49   9.887   0.931   6.583
  348    HA   LEU  49           HA       LEU  49  11.214   3.675   6.817
  349   1HB   LEU  49          1HB       LEU  49   9.850   3.354   4.794
  350   2HB   LEU  49          2HB       LEU  49   9.181   4.596   5.832
  351    HG   LEU  49           HG       LEU  49   8.072   1.729   5.824
  352   1HD1  LEU  49          1HD1      LEU  49   6.993   4.099   4.165
  353   2HD1  LEU  49          2HD1      LEU  49   7.940   2.761   3.490
  354   3HD1  LEU  49          3HD1      LEU  49   6.341   2.441   4.208
  355   1HD2  LEU  49          1HD2      LEU  49   6.070   2.700   6.874
  356   2HD2  LEU  49          2HD2      LEU  49   7.481   3.252   7.809
  357   3HD2  LEU  49          3HD2      LEU  49   6.694   4.356   6.673
  358    H    GLY  50           H        GLY  50   8.780   1.509   8.172
  359   1HA   GLY  50          1HA       GLY  50   7.866   3.505  10.255
  360   2HA   GLY  50          2HA       GLY  50   7.138   1.933   9.944
  361    H    GLN  51           H        GLN  51   8.480   0.006  10.552
  362    HA   GLN  51           HA       GLN  51  10.331   0.248  12.916
  363   1HB   GLN  51          1HB       GLN  51   7.831  -1.194  13.727
  364   2HB   GLN  51          2HB       GLN  51   8.951  -0.226  14.670
  365   1HG   GLN  51          1HG       GLN  51   6.810   0.899  14.687
  366   2HG   GLN  51          2HG       GLN  51   7.926   1.894  13.774
  367   1HE2  GLN  51          1HE2      GLN  51   5.085   2.030  11.505
  368   2HE2  GLN  51          2HE2      GLN  51   5.753   2.772  13.045
  369    H    ASN  52           H        ASN  52   9.444  -2.327  13.971
  370    HA   ASN  52           HA       ASN  52   9.595  -4.266  11.660
  371   1HB   ASN  52          1HB       ASN  52  11.677  -5.051  12.004
  372   2HB   ASN  52          2HB       ASN  52  11.492  -5.147  13.742
  373   1HD2  ASN  52          1HD2      ASN  52  13.449  -1.966  11.960
  374   2HD2  ASN  52          2HD2      ASN  52  12.671  -3.333  11.014
  375    HA   PRO  53           HA       PRO  53   6.811  -5.617  15.263
  376   1HB   PRO  53          1HB       PRO  53   4.549  -6.371  13.903
  377   2HB   PRO  53          2HB       PRO  53   5.021  -4.682  14.165
  378   1HG   PRO  53          1HG       PRO  53   4.839  -4.626  11.828
  379   2HG   PRO  53          2HG       PRO  53   5.358  -6.310  11.590
  380   1HD   PRO  53          1HD       PRO  53   7.010  -3.800  11.921
  381   2HD   PRO  53          2HD       PRO  53   7.485  -5.365  11.192
  382    H    THR  54           H        THR  54   5.699  -7.781  12.736
  383    HA   THR  54           HA       THR  54   7.579 -10.031  13.508
  384    HB   THR  54           HB       THR  54   4.685 -10.830  13.547
  385    HG1  THR  54           HG1      THR  54   5.914  -9.793  15.852
  386   1HG2  THR  54          1HG2      THR  54   5.434 -12.415  15.291
  387   2HG2  THR  54          2HG2      THR  54   6.481 -12.559  13.860
  388   3HG2  THR  54          3HG2      THR  54   7.063 -11.697  15.307
  389    H    LYS  55           H        LYS  55   7.179 -11.961  12.117
  390    HA   LYS  55           HA       LYS  55   6.938 -11.075   9.235
  391   1HB   LYS  55          1HB       LYS  55   8.095 -13.528  10.625
  392   2HB   LYS  55          2HB       LYS  55   7.637 -13.666   8.941
  393   1HG   LYS  55          1HG       LYS  55   9.935 -12.222  10.206
  394   2HG   LYS  55          2HG       LYS  55   9.159 -11.299   8.935
  395   1HD   LYS  55          1HD       LYS  55   9.413 -13.603   7.523
  396   2HD   LYS  55          2HD       LYS  55  10.695 -12.408   7.639
  397   1HE   LYS  55          1HE       LYS  55  10.507 -14.939   9.386
  398   2HE   LYS  55          2HE       LYS  55  11.582 -14.731   8.003
  399   1HZ   LYS  55          1HZ       LYS  55  13.009 -14.023   9.575
  400   2HZ   LYS  55          2HZ       LYS  55  12.200 -12.583   9.539
  401   3HZ   LYS  55          3HZ       LYS  55  11.839 -13.705  10.696
  402    H    GLU  56           H        GLU  56   5.362 -13.147  11.613
  403    HA   GLU  56           HA       GLU  56   3.488 -14.544   9.777
  404   1HB   GLU  56          1HB       GLU  56   3.942 -14.453  12.718
  405   2HB   GLU  56          2HB       GLU  56   2.254 -14.623  12.280
  406   1HG   GLU  56          1HG       GLU  56   3.117 -16.859  12.570
  407   2HG   GLU  56          2HG       GLU  56   2.870 -16.656  10.844
  408    H    GLU  57           H        GLU  57   3.516 -11.566  11.652
  409    HA   GLU  57           HA       GLU  57   0.725 -10.737  11.317
  410   1HB   GLU  57          1HB       GLU  57   1.554  -8.386  11.735
  411   2HB   GLU  57          2HB       GLU  57   3.204  -8.976  11.690
  412   1HG   GLU  57          1HG       GLU  57   2.857 -10.349  13.720
  413   2HG   GLU  57          2HG       GLU  57   1.127 -10.051  13.699
  414    H    LEU  58           H        LEU  58   3.601 -10.503   9.296
  415    HA   LEU  58           HA       LEU  58   2.670  -8.703   7.210
  416   1HB   LEU  58          1HB       LEU  58   5.058  -9.760   7.624
  417   2HB   LEU  58          2HB       LEU  58   4.495 -11.091   6.637
  418    HG   LEU  58           HG       LEU  58   5.378  -8.363   5.829
  419   1HD1  LEU  58          1HD1      LEU  58   5.954  -9.564   3.695
  420   2HD1  LEU  58          2HD1      LEU  58   6.588 -10.418   5.108
  421   3HD1  LEU  58          3HD1      LEU  58   5.132 -11.030   4.287
  422   1HD2  LEU  58          1HD2      LEU  58   2.900  -9.523   4.387
  423   2HD2  LEU  58          2HD2      LEU  58   2.938  -8.027   5.353
  424   3HD2  LEU  58          3HD2      LEU  58   3.870  -8.129   3.848
  425    H    ASP  59           H        ASP  59   2.187 -12.143   7.794
  426    HA   ASP  59           HA       ASP  59   0.939 -12.754   5.165
  427   1HB   ASP  59          1HB       ASP  59   2.160 -14.366   6.996
  428   2HB   ASP  59          2HB       ASP  59   1.117 -14.931   5.711
  429    H    ALA  60           H        ALA  60  -0.166 -11.841   8.374
  430    HA   ALA  60           HA       ALA  60  -2.975 -12.586   8.214
  431   1HB   ALA  60          1HB       ALA  60  -3.319 -11.005  10.107
  432   2HB   ALA  60          2HB       ALA  60  -1.881 -12.013  10.359
  433   3HB   ALA  60          3HB       ALA  60  -1.698 -10.311   9.864
  434    H    ILE  61           H        ILE  61  -1.440  -9.382   7.720
  435    HA   ILE  61           HA       ILE  61  -3.654  -7.861   6.821
  436    HB   ILE  61           HB       ILE  61  -0.745  -7.557   5.933
  437   1HG1  ILE  61          1HG1      ILE  61  -2.372  -6.172   8.163
  438   2HG1  ILE  61          2HG1      ILE  61  -0.983  -7.218   8.369
  439   1HG2  ILE  61          1HG2      ILE  61  -1.335  -5.238   5.179
  440   2HG2  ILE  61          2HG2      ILE  61  -2.232  -6.440   4.254
  441   3HG2  ILE  61          3HG2      ILE  61  -3.052  -5.536   5.547
  442   1HD1  ILE  61          1HD1      ILE  61  -0.856  -4.411   7.120
  443   2HD1  ILE  61          2HD1      ILE  61  -0.258  -4.923   8.713
  444   3HD1  ILE  61          3HD1      ILE  61   0.523  -5.539   7.238
  445    H    ILE  62           H        ILE  62  -1.582 -10.153   5.115
  446    HA   ILE  62           HA       ILE  62  -2.442  -9.574   2.347
  447    HB   ILE  62           HB       ILE  62  -0.954 -11.915   3.601
  448   1HG1  ILE  62          1HG1      ILE  62  -0.101  -9.858   1.454
  449   2HG1  ILE  62          2HG1      ILE  62   0.312  -9.760   3.152
  450   1HG2  ILE  62          1HG2      ILE  62  -0.695 -12.973   1.342
  451   2HG2  ILE  62          2HG2      ILE  62  -2.393 -12.937   1.811
  452   3HG2  ILE  62          3HG2      ILE  62  -1.784 -11.760   0.626
  453   1HD1  ILE  62          1HD1      ILE  62   1.295 -11.980   1.265
  454   2HD1  ILE  62          2HD1      ILE  62   2.236 -10.644   1.960
  455   3HD1  ILE  62          3HD1      ILE  62   1.606 -11.924   3.022
  456    H    GLU  63           H        GLU  63  -3.516 -11.770   4.900
  457    HA   GLU  63           HA       GLU  63  -5.351 -13.422   3.356
  458   1HB   GLU  63          1HB       GLU  63  -5.645 -12.776   6.334
  459   2HB   GLU  63          2HB       GLU  63  -4.459 -13.899   5.701
  460   1HG   GLU  63          1HG       GLU  63  -7.027 -14.577   6.549
  461   2HG   GLU  63          2HG       GLU  63  -7.298 -14.444   4.820
  462    H    GLU  64           H        GLU  64  -5.734 -10.301   4.960
  463    HA   GLU  64           HA       GLU  64  -8.695 -10.180   4.739
  464   1HB   GLU  64          1HB       GLU  64  -6.952  -8.924   6.383
  465   2HB   GLU  64          2HB       GLU  64  -7.094  -7.656   5.182
  466   1HG   GLU  64          1HG       GLU  64  -9.714  -8.819   6.180
  467   2HG   GLU  64          2HG       GLU  64  -9.326  -7.168   5.727
  468    H    VAL  65           H        VAL  65  -5.965  -8.652   3.031
  469    HA   VAL  65           HA       VAL  65  -7.564  -6.929   1.260
  470    HB   VAL  65           HB       VAL  65  -5.082  -6.638   1.899
  471   1HG1  VAL  65          1HG1      VAL  65  -5.749  -6.190  -1.081
  472   2HG1  VAL  65          2HG1      VAL  65  -6.400  -5.194   0.234
  473   3HG1  VAL  65          3HG1      VAL  65  -4.645  -5.236  -0.060
  474   1HG2  VAL  65          1HG2      VAL  65  -3.327  -7.553   0.462
  475   2HG2  VAL  65          2HG2      VAL  65  -4.287  -8.941   1.028
  476   3HG2  VAL  65          3HG2      VAL  65  -4.509  -8.332  -0.618
  477    H    ASP  66           H        ASP  66  -6.377 -10.241   1.108
  478    HA   ASP  66           HA       ASP  66  -7.432 -10.591  -1.746
  479   1HB   ASP  66          1HB       ASP  66  -5.328 -12.301  -0.302
  480   2HB   ASP  66          2HB       ASP  66  -4.980 -11.034  -1.456
  481    H    GLU  67           H        GLU  67  -9.430 -10.510  -0.197
  482    HA   GLU  67           HA       GLU  67 -10.262 -13.083   1.078
  483   1HB   GLU  67          1HB       GLU  67 -11.649 -10.458   0.495
  484   2HB   GLU  67          2HB       GLU  67 -12.649 -11.875   0.744
  485   1HG   GLU  67          1HG       GLU  67 -11.214 -12.197   2.986
  486   2HG   GLU  67          2HG       GLU  67 -10.751 -10.522   2.733
  487    H    ASP  68           H        ASP  68 -10.542 -11.498  -2.054
  488    HA   ASP  68           HA       ASP  68 -12.035 -13.890  -3.228
  489   1HB   ASP  68          1HB       ASP  68 -11.803 -11.007  -4.244
  490   2HB   ASP  68          2HB       ASP  68 -12.390 -12.311  -5.250
  491    H    GLY  69           H        GLY  69 -10.104 -11.612  -5.079
  492   1HA   GLY  69          1HA       GLY  69  -8.881 -13.501  -6.862
  493   2HA   GLY  69          2HA       GLY  69  -7.758 -13.411  -5.501
  494    H    SER  70           H        SER  70  -6.469 -11.688  -5.238
  495    HA   SER  70           HA       SER  70  -6.041  -9.828  -7.543
  496   1HB   SER  70          1HB       SER  70  -7.954  -8.782  -6.123
  497   2HB   SER  70          2HB       SER  70  -6.721  -8.430  -4.910
  498    HG   SER  70           HG       SER  70  -7.200  -6.846  -6.643
  499    H    GLY  71           H        GLY  71  -3.983 -10.610  -7.623
  500   1HA   GLY  71          1HA       GLY  71  -2.132 -10.521  -5.204
  501   2HA   GLY  71          2HA       GLY  71  -1.749 -11.254  -6.766
  502    H    THR  72           H        THR  72  -3.096  -8.031  -6.163
  503    HA   THR  72           HA       THR  72  -0.518  -6.689  -7.020
  504    HB   THR  72           HB       THR  72  -1.956  -5.109  -8.525
  505    HG1  THR  72           HG1      THR  72  -3.704  -6.027  -9.402
  506   1HG2  THR  72          1HG2      THR  72  -1.083  -6.079 -10.406
  507   2HG2  THR  72          2HG2      THR  72  -0.254  -7.174  -9.277
  508   3HG2  THR  72          3HG2      THR  72  -1.774  -7.680 -10.060
  509    H    ILE  73           H        ILE  73  -0.352  -4.522  -6.373
  510    HA   ILE  73           HA       ILE  73  -2.516  -3.347  -4.637
  511    HB   ILE  73           HB       ILE  73  -0.590  -4.799  -3.365
  512   1HG1  ILE  73          1HG1      ILE  73  -1.331  -3.564  -1.249
  513   2HG1  ILE  73          2HG1      ILE  73  -2.159  -2.403  -2.270
  514   1HG2  ILE  73          1HG2      ILE  73   1.026  -3.374  -2.164
  515   2HG2  ILE  73          2HG2      ILE  73   1.292  -3.198  -3.904
  516   3HG2  ILE  73          3HG2      ILE  73   0.450  -1.915  -3.002
  517   1HD1  ILE  73          1HD1      ILE  73  -3.935  -3.823  -2.757
  518   2HD1  ILE  73          2HD1      ILE  73  -2.907  -5.271  -2.815
  519   3HD1  ILE  73          3HD1      ILE  73  -3.414  -4.611  -1.242
  520    H    ASP  74           H        ASP  74  -2.027  -1.071  -4.050
  521    HA   ASP  74           HA       ASP  74  -0.320   0.368  -6.130
  522   1HB   ASP  74          1HB       ASP  74  -2.460   2.015  -6.265
  523   2HB   ASP  74          2HB       ASP  74  -2.166   0.708  -7.388
  524    H    PHE  75           H        PHE  75  -0.686   2.879  -5.638
  525    HA   PHE  75           HA       PHE  75   0.660   3.269  -3.022
  526   1HB   PHE  75          1HB       PHE  75  -0.291   5.523  -4.871
  527   2HB   PHE  75          2HB       PHE  75   1.079   4.530  -5.293
  528    HD1  PHE  75           HD1      PHE  75  -0.159   6.381  -2.187
  529    HD2  PHE  75           HD2      PHE  75   3.205   5.404  -4.686
  530    HE1  PHE  75           HE1      PHE  75   1.230   8.009  -0.972
  531    HE2  PHE  75           HE2      PHE  75   4.582   7.029  -3.448
  532    HZ   PHE  75           HZ       PHE  75   3.603   8.323  -1.586
  533    H    GLU  76           H        GLU  76  -2.536   3.840  -4.386
  534    HA   GLU  76           HA       GLU  76  -3.646   5.609  -2.343
  535   1HB   GLU  76          1HB       GLU  76  -4.843   5.614  -4.348
  536   2HB   GLU  76          2HB       GLU  76  -5.915   4.831  -3.204
  537   1HG   GLU  76          1HG       GLU  76  -5.772   2.721  -4.273
  538   2HG   GLU  76          2HG       GLU  76  -4.165   3.018  -4.916
  539    H    GLU  77           H        GLU  77  -4.358   2.148  -2.889
  540    HA   GLU  77           HA       GLU  77  -5.491   1.482  -0.304
  541   1HB   GLU  77          1HB       GLU  77  -3.860  -0.431  -2.054
  542   2HB   GLU  77          2HB       GLU  77  -5.527   0.007  -2.368
  543   1HG   GLU  77          1HG       GLU  77  -4.906  -2.238  -1.037
  544   2HG   GLU  77          2HG       GLU  77  -4.787  -1.180   0.359
  545    H    PHE  78           H        PHE  78  -2.166   1.833  -1.391
  546    HA   PHE  78           HA       PHE  78  -0.758   0.481   0.760
  547   1HB   PHE  78          1HB       PHE  78   0.024   2.533  -1.322
  548   2HB   PHE  78          2HB       PHE  78   0.612   0.909  -1.084
  549    HD1  PHE  78           HD1      PHE  78   2.153   0.514   1.076
  550    HD2  PHE  78           HD2      PHE  78   1.227   4.430  -0.446
  551    HE1  PHE  78           HE1      PHE  78   4.219   1.403   2.075
  552    HE2  PHE  78           HE2      PHE  78   3.292   5.303   0.568
  553    HZ   PHE  78           HZ       PHE  78   4.766   3.805   1.867
  554    H    LEU  79           H        LEU  79  -2.008   3.772   0.419
  555    HA   LEU  79           HA       LEU  79  -0.859   4.852   2.967
  556   1HB   LEU  79          1HB       LEU  79  -3.067   5.947   1.126
  557   2HB   LEU  79          2HB       LEU  79  -2.489   6.774   2.556
  558    HG   LEU  79           HG       LEU  79  -0.932   6.207  -0.030
  559   1HD1  LEU  79          1HD1      LEU  79  -0.701   8.695  -0.113
  560   2HD1  LEU  79          2HD1      LEU  79  -2.411   8.229  -0.051
  561   3HD1  LEU  79          3HD1      LEU  79  -1.611   8.857   1.411
  562   1HD2  LEU  79          1HD2      LEU  79   0.252   7.322   2.602
  563   2HD2  LEU  79          2HD2      LEU  79   0.673   5.771   1.834
  564   3HD2  LEU  79          3HD2      LEU  79   1.079   7.292   1.024
  565    H    VAL  80           H        VAL  80  -3.843   3.352   1.838
  566    HA   VAL  80           HA       VAL  80  -5.584   3.835   4.106
  567    HB   VAL  80           HB       VAL  80  -5.584   1.566   2.067
  568   1HG1  VAL  80          1HG1      VAL  80  -7.841   0.878   2.901
  569   2HG1  VAL  80          2HG1      VAL  80  -6.607   0.613   4.140
  570   3HG1  VAL  80          3HG1      VAL  80  -7.700   2.009   4.272
  571   1HG2  VAL  80          1HG2      VAL  80  -7.547   3.921   2.449
  572   2HG2  VAL  80          2HG2      VAL  80  -6.298   3.822   1.187
  573   3HG2  VAL  80          3HG2      VAL  80  -7.637   2.665   1.190
  574    H    MET  81           H        MET  81  -3.065   1.444   3.493
  575    HA   MET  81           HA       MET  81  -3.613  -0.297   5.838
  576   1HB   MET  81          1HB       MET  81  -0.995  -0.166   4.236
  577   2HB   MET  81          2HB       MET  81  -1.532  -1.461   5.290
  578   1HG   MET  81          1HG       MET  81  -3.381  -0.787   2.976
  579   2HG   MET  81          2HG       MET  81  -1.829  -1.544   2.581
  580   1HE   MET  81          1HE       MET  81  -5.587  -3.484   3.800
  581   2HE   MET  81          2HE       MET  81  -5.176  -1.954   2.970
  582   3HE   MET  81          3HE       MET  81  -4.834  -3.518   2.174
  583    H    MET  82           H        MET  82  -1.538   2.458   5.111
  584    HA   MET  82           HA       MET  82   0.297   2.357   7.365
  585   1HB   MET  82          1HB       MET  82  -0.589   4.591   5.502
  586   2HB   MET  82          2HB       MET  82   0.289   5.019   6.959
  587   1HG   MET  82          1HG       MET  82   1.506   4.393   4.565
  588   2HG   MET  82          2HG       MET  82   1.548   2.801   5.339
  589   1HE   MET  82          1HE       MET  82   3.116   1.994   6.529
  590   2HE   MET  82          2HE       MET  82   4.618   2.844   6.060
  591   3HE   MET  82          3HE       MET  82   4.148   2.753   7.783
  592    H    VAL  83           H        VAL  83  -2.421   4.651   6.972
  593    HA   VAL  83           HA       VAL  83  -2.695   5.567   9.656
  594    HB   VAL  83           HB       VAL  83  -4.958   5.191   7.630
  595   1HG1  VAL  83          1HG1      VAL  83  -3.426   7.781   8.296
  596   2HG1  VAL  83          2HG1      VAL  83  -3.014   6.737   6.928
  597   3HG1  VAL  83          3HG1      VAL  83  -4.612   7.517   6.992
  598   1HG2  VAL  83          1HG2      VAL  83  -6.322   6.771   8.896
  599   2HG2  VAL  83          2HG2      VAL  83  -5.820   5.510  10.046
  600   3HG2  VAL  83          3HG2      VAL  83  -5.013   7.085  10.065
  601    NH1  ARG  84           NH1      ARG  84  -9.555  -1.096   7.010
  602    NH2  ARG  84           NH2      ARG  84  -8.485  -0.988   5.008
  603    H    ARG  84           H        ARG  84  -3.815   2.579   8.162
  604    HA   ARG  84           HA       ARG  84  -5.593   1.454  10.126
  605   1HB   ARG  84          1HB       ARG  84  -3.581  -0.436   8.881
  606   2HB   ARG  84          2HB       ARG  84  -4.553   0.528   7.777
  607   1HG   ARG  84          1HG       ARG  84  -5.449  -1.832   8.502
  608   2HG   ARG  84          2HG       ARG  84  -5.900  -1.066  10.026
  609   1HD   ARG  84          1HD       ARG  84  -7.887  -0.593   8.953
  610   2HD   ARG  84          2HD       ARG  84  -7.004   0.776   8.280
  611    HE   ARG  84           HE       ARG  84  -6.438  -1.227   6.396
  612   1HH1  ARG  84          1HH1      ARG  84 -10.421  -1.113   6.459
  613   2HH1  ARG  84          2HH1      ARG  84  -9.475  -1.164   8.030
  614   1HH2  ARG  84          1HH2      ARG  84  -7.594  -0.926   4.504
  615   2HH2  ARG  84          2HH2      ARG  84  -9.421  -1.064   4.595
  616    H    GLN  85           H        GLN  85  -2.040   0.998   9.904
  617    HA   GLN  85           HA       GLN  85  -1.782  -0.555  12.390
  618   1HB   GLN  85          1HB       GLN  85  -0.094   0.018  10.223
  619   2HB   GLN  85          2HB       GLN  85   0.662   0.917  11.527
  620   1HG   GLN  85          1HG       GLN  85   0.757  -1.175  12.940
  621   2HG   GLN  85          2HG       GLN  85   1.709  -1.260  11.472
  622   1HE2  GLN  85          1HE2      GLN  85  -1.366  -3.924  12.062
  623   2HE2  GLN  85          2HE2      GLN  85  -1.105  -2.486  13.171
  624    H    MET  86           H        MET  86  -0.775   2.782  11.593
  625    HA   MET  86           HA       MET  86   0.270   3.688  14.064
  626   1HB   MET  86          1HB       MET  86  -1.471   5.587  12.420
  627   2HB   MET  86          2HB       MET  86   0.012   4.937  11.743
  628   1HG   MET  86          1HG       MET  86   1.157   6.624  12.760
  629   2HG   MET  86          2HG       MET  86   0.791   5.892  14.330
  630   1HE   MET  86          1HE       MET  86  -0.320   9.789  12.697
  631   2HE   MET  86          2HE       MET  86   0.677   9.605  14.170
  632   3HE   MET  86          3HE       MET  86   1.125   8.729  12.677
  633    H    LYS  87           H        LYS  87  -3.101   3.326  13.115
  634    HA   LYS  87           HA       LYS  87  -4.319   4.681  15.478
  635   1HB   LYS  87          1HB       LYS  87  -5.372   3.049  13.152
  636   2HB   LYS  87          2HB       LYS  87  -6.365   3.084  14.593
  637   1HG   LYS  87          1HG       LYS  87  -5.456   5.810  13.861
  638   2HG   LYS  87          2HG       LYS  87  -6.225   5.021  12.498
  639   1HD   LYS  87          1HD       LYS  87  -8.322   5.330  13.380
  640   2HD   LYS  87          2HD       LYS  87  -7.851   4.577  14.895
  641   1HE   LYS  87          1HE       LYS  87  -6.984   6.697  15.809
  642   2HE   LYS  87          2HE       LYS  87  -7.206   7.529  14.269
  643   1HZ   LYS  87          1HZ       LYS  87  -9.391   7.805  14.697
  644   2HZ   LYS  87          2HZ       LYS  87  -9.620   6.277  15.282
  645   3HZ   LYS  87          3HZ       LYS  87  -9.018   7.457  16.269
  646    H    GLU  88           H        GLU  88  -4.135   1.253  14.428
  647    HA   GLU  88           HA       GLU  88  -5.059   0.025  16.917
  648   1HB   GLU  88          1HB       GLU  88  -3.680  -0.972  14.439
  649   2HB   GLU  88          2HB       GLU  88  -3.483  -1.960  15.872
  650   1HG   GLU  88          1HG       GLU  88  -6.123  -1.866  16.081
  651   2HG   GLU  88          2HG       GLU  88  -6.106  -1.228  14.446
  652    H    ASP  89           H        ASP  89  -3.607  -1.409  18.244
  653    HA   ASP  89           HA       ASP  89  -0.719  -0.611  18.574
  654   1HB   ASP  89          1HB       ASP  89  -0.770   0.576  20.509
  655   2HB   ASP  89          2HB       ASP  89  -2.368   1.016  19.954
  656    H    ALA  90           H        ALA  90   0.434  -2.261  19.278
  657    HA   ALA  90           HA       ALA  90  -0.762  -4.607  20.781
  658   1HB   ALA  90          1HB       ALA  90   0.767  -5.510  18.349
  659   2HB   ALA  90          2HB       ALA  90  -0.680  -6.206  19.105
  660   3HB   ALA  90          3HB       ALA  90  -0.837  -4.819  17.999
   
  Start of MODEL          30
 Raw file had  660 H/Q atoms
  Start of MODEL   30
    1   1H    ALA   1          1H        ALA   1 -18.556  -5.437   3.003
    2   2H    ALA   1          2H        ALA   1 -18.408  -4.140   4.064
    3   3H    ALA   1          3H        ALA   1 -19.525  -5.359   4.376
    4    HA   ALA   1           HA       ALA   1 -20.533  -4.768   2.138
    5   1HB   ALA   1          1HB       ALA   1 -20.834  -3.360   4.817
    6   2HB   ALA   1          2HB       ALA   1 -21.734  -2.705   3.435
    7   3HB   ALA   1          3HB       ALA   1 -21.997  -4.392   3.949
    8    H    SER   2           H        SER   2 -18.031  -4.117   1.439
    9    HA   SER   2           HA       SER   2 -16.918  -2.606  -0.087
   10   1HB   SER   2          1HB       SER   2 -19.051  -0.483   0.370
   11   2HB   SER   2          2HB       SER   2 -18.089  -0.817  -1.072
   12    HG   SER   2           HG       SER   2 -20.367  -2.053  -0.095
   13    H    MET   3           H        MET   3 -15.298  -1.181   0.232
   14    HA   MET   3           HA       MET   3 -15.155   0.391   2.869
   15   1HB   MET   3          1HB       MET   3 -12.958  -1.290   1.540
   16   2HB   MET   3          2HB       MET   3 -13.721  -1.557   3.097
   17   1HG   MET   3          1HG       MET   3 -12.125  -0.306   4.131
   18   2HG   MET   3          2HG       MET   3 -12.572   1.118   3.177
   19   1HE   MET   3          1HE       MET   3  -9.836  -2.220   1.470
   20   2HE   MET   3          2HE       MET   3  -9.680  -1.969   3.234
   21   3HE   MET   3          3HE       MET   3 -11.263  -2.419   2.535
   22    H    THR   4           H        THR   4 -16.207   1.467   0.585
   23    HA   THR   4           HA       THR   4 -14.145   3.171  -0.793
   24    HB   THR   4           HB       THR   4 -15.963   4.184  -2.046
   25    HG1  THR   4           HG1      THR   4 -18.042   3.736  -1.654
   26   1HG2  THR   4          1HG2      THR   4 -16.934   2.264  -3.252
   27   2HG2  THR   4          2HG2      THR   4 -15.215   1.939  -2.932
   28   3HG2  THR   4          3HG2      THR   4 -16.474   1.136  -1.958
   29    H    ASP   5           H        ASP   5 -14.983   3.219   2.250
   30    HA   ASP   5           HA       ASP   5 -15.484   6.223   2.503
   31   1HB   ASP   5          1HB       ASP   5 -16.932   4.304   3.730
   32   2HB   ASP   5          2HB       ASP   5 -15.643   4.382   4.908
   33    H    GLN   6           H        GLN   6 -13.341   3.572   3.364
   34    HA   GLN   6           HA       GLN   6 -11.579   5.026   5.240
   35   1HB   GLN   6          1HB       GLN   6 -10.752   2.536   3.653
   36   2HB   GLN   6          2HB       GLN   6 -10.138   3.102   5.196
   37   1HG   GLN   6          1HG       GLN   6 -11.679   1.097   5.354
   38   2HG   GLN   6          2HG       GLN   6 -13.009   2.070   4.760
   39   1HE2  GLN   6          1HE2      GLN   6 -13.725   2.601   8.252
   40   2HE2  GLN   6          2HE2      GLN   6 -14.262   1.954   6.621
   41    H    GLN   7           H        GLN   7 -11.695   4.615   1.756
   42    HA   GLN   7           HA       GLN   7  -9.056   5.065   0.828
   43   1HB   GLN   7          1HB       GLN   7 -11.721   6.024  -0.333
   44   2HB   GLN   7          2HB       GLN   7 -10.201   6.436  -1.106
   45   1HG   GLN   7          1HG       GLN   7  -9.637   4.064  -1.478
   46   2HG   GLN   7          2HG       GLN   7 -10.998   3.522  -0.517
   47   1HE2  GLN   7          1HE2      GLN   7 -12.334   5.436  -3.942
   48   2HE2  GLN   7          2HE2      GLN   7 -11.343   6.308  -2.666
   49    H    ALA   8           H        ALA   8 -11.467   7.669   1.368
   50    HA   ALA   8           HA       ALA   8  -9.582   9.888   0.946
   51   1HB   ALA   8          1HB       ALA   8 -12.234   9.793   0.783
   52   2HB   ALA   8          2HB       ALA   8 -12.183  10.269   2.491
   53   3HB   ALA   8          3HB       ALA   8 -11.436  11.312   1.254
   54    H    GLU   9           H        GLU   9 -10.527   8.001   3.742
   55    HA   GLU   9           HA       GLU   9  -9.771   9.756   5.928
   56   1HB   GLU   9          1HB       GLU   9  -9.646   6.694   5.872
   57   2HB   GLU   9          2HB       GLU   9  -9.479   7.678   7.312
   58   1HG   GLU   9          1HG       GLU   9 -12.002   7.998   5.605
   59   2HG   GLU   9          2HG       GLU   9 -11.833   6.572   6.616
   60    H    ALA  10           H        ALA  10  -7.885   7.706   3.778
   61    HA   ALA  10           HA       ALA  10  -5.384   7.552   5.272
   62   1HB   ALA  10          1HB       ALA  10  -4.360   6.824   3.123
   63   2HB   ALA  10          2HB       ALA  10  -5.907   6.005   3.412
   64   3HB   ALA  10          3HB       ALA  10  -5.810   7.330   2.224
   65    NH1  ARG  11           NH1      ARG  11  -3.770  12.984  -1.712
   66    NH2  ARG  11           NH2      ARG  11  -5.479  14.335  -2.360
   67    H    ARG  11           H        ARG  11  -6.194   9.566   2.421
   68    HA   ARG  11           HA       ARG  11  -3.701  11.168   2.449
   69   1HB   ARG  11          1HB       ARG  11  -6.211  12.207   1.079
   70   2HB   ARG  11          2HB       ARG  11  -4.527  12.302   0.582
   71   1HG   ARG  11          1HG       ARG  11  -4.551   9.756   0.186
   72   2HG   ARG  11          2HG       ARG  11  -6.292   9.784   0.471
   73   1HD   ARG  11          1HD       ARG  11  -4.808  10.532  -1.968
   74   2HD   ARG  11          2HD       ARG  11  -6.529  10.206  -1.773
   75    HE   ARG  11           HE       ARG  11  -6.931  12.612  -1.358
   76   1HH1  ARG  11          1HH1      ARG  11  -3.159  13.769  -1.964
   77   2HH1  ARG  11          2HH1      ARG  11  -3.478  12.062  -1.370
   78   1HH2  ARG  11          1HH2      ARG  11  -6.492  14.467  -2.455
   79   2HH2  ARG  11          2HH2      ARG  11  -4.745  15.002  -2.623
   80    H    ALA  12           H        ALA  12  -6.906  11.507   3.855
   81    HA   ALA  12           HA       ALA  12  -6.759  14.406   4.505
   82   1HB   ALA  12          1HB       ALA  12  -8.845  14.010   5.798
   83   2HB   ALA  12          2HB       ALA  12  -8.943  13.269   4.188
   84   3HB   ALA  12          3HB       ALA  12  -8.664  12.248   5.621
   85    H    PHE  13           H        PHE  13  -5.139  11.745   5.789
   86    HA   PHE  13           HA       PHE  13  -4.717  13.147   8.480
   87   1HB   PHE  13          1HB       PHE  13  -5.925  10.907   8.588
   88   2HB   PHE  13          2HB       PHE  13  -4.508  10.123   7.940
   89    HD1  PHE  13           HD1      PHE  13  -4.895  12.830  10.605
   90    HD2  PHE  13           HD2      PHE  13  -3.510   8.859   9.689
   91    HE1  PHE  13           HE1      PHE  13  -4.015  12.597  12.892
   92    HE2  PHE  13           HE2      PHE  13  -2.652   8.640  11.984
   93    HZ   PHE  13           HZ       PHE  13  -2.943  10.486  13.601
   94    H    LEU  14           H        LEU  14  -3.367  13.638   5.962
   95    HA   LEU  14           HA       LEU  14  -0.610  13.852   6.969
   96   1HB   LEU  14          1HB       LEU  14  -0.005  11.684   6.481
   97   2HB   LEU  14          2HB       LEU  14   0.401  12.462   4.966
   98    HG   LEU  14           HG       LEU  14  -2.377  11.247   5.173
   99   1HD1  LEU  14          1HD1      LEU  14   0.114   9.481   4.731
  100   2HD1  LEU  14          2HD1      LEU  14  -0.830   9.516   6.231
  101   3HD1  LEU  14          3HD1      LEU  14  -1.588   8.953   4.721
  102   1HD2  LEU  14          1HD2      LEU  14  -2.056  10.763   2.782
  103   2HD2  LEU  14          2HD2      LEU  14  -1.526  12.441   3.059
  104   3HD2  LEU  14          3HD2      LEU  14  -0.321  11.158   2.873
  105    H    SER  15           H        SER  15   0.437  15.409   5.883
  106    HA   SER  15           HA       SER  15  -0.967  17.192   4.034
  107   1HB   SER  15          1HB       SER  15   0.679  18.130   5.526
  108   2HB   SER  15          2HB       SER  15   1.226  18.415   3.872
  109    HG   SER  15           HG       SER  15   2.058  16.042   5.059
  110    H    GLU  16           H        GLU  16  -0.185  17.815   1.892
  111    HA   GLU  16           HA       GLU  16   0.120  15.554   0.013
  112   1HB   GLU  16          1HB       GLU  16   0.599  17.631  -1.634
  113   2HB   GLU  16          2HB       GLU  16  -0.044  18.561  -0.295
  114   1HG   GLU  16          1HG       GLU  16  -1.563  17.407  -2.324
  115   2HG   GLU  16          2HG       GLU  16  -1.719  16.174  -1.084
  116    H    GLU  17           H        GLU  17   2.266  17.869   1.530
  117    HA   GLU  17           HA       GLU  17   4.606  17.507  -0.263
  118   1HB   GLU  17          1HB       GLU  17   5.809  18.976   1.047
  119   2HB   GLU  17          2HB       GLU  17   4.162  19.522   1.295
  120   1HG   GLU  17          1HG       GLU  17   5.462  17.602   3.311
  121   2HG   GLU  17          2HG       GLU  17   4.075  18.650   3.553
  122    H    MET  18           H        MET  18   3.450  16.033   2.725
  123    HA   MET  18           HA       MET  18   5.787  14.334   3.323
  124   1HB   MET  18          1HB       MET  18   4.346  14.623   5.168
  125   2HB   MET  18          2HB       MET  18   2.889  14.328   4.237
  126   1HG   MET  18          1HG       MET  18   3.896  11.830   3.989
  127   2HG   MET  18          2HG       MET  18   2.996  12.329   5.429
  128   1HE   MET  18          1HE       MET  18   3.699  12.274   7.655
  129   2HE   MET  18          2HE       MET  18   5.364  12.180   8.301
  130   3HE   MET  18          3HE       MET  18   4.745  13.728   7.657
  131    H    ILE  19           H        ILE  19   2.892  14.010   1.337
  132    HA   ILE  19           HA       ILE  19   3.038  11.181   0.604
  133    HB   ILE  19           HB       ILE  19   1.991  13.447  -1.170
  134   1HG1  ILE  19          1HG1      ILE  19   0.816  12.219   1.306
  135   2HG1  ILE  19          2HG1      ILE  19   0.476  13.759   0.547
  136   1HG2  ILE  19          1HG2      ILE  19   0.622  11.671  -2.286
  137   2HG2  ILE  19          2HG2      ILE  19   2.338  11.295  -2.424
  138   3HG2  ILE  19          3HG2      ILE  19   1.341  10.425  -1.237
  139   1HD1  ILE  19          1HD1      ILE  19  -0.745  11.085  -0.354
  140   2HD1  ILE  19          2HD1      ILE  19  -1.555  12.425   0.484
  141   3HD1  ILE  19          3HD1      ILE  19  -0.985  12.645  -1.187
  142    H    ALA  20           H        ALA  20   4.563  14.117  -0.694
  143    HA   ALA  20           HA       ALA  20   5.788  13.212  -3.089
  144   1HB   ALA  20          1HB       ALA  20   7.430  15.007  -1.272
  145   2HB   ALA  20          2HB       ALA  20   7.125  15.130  -3.015
  146   3HB   ALA  20          3HB       ALA  20   5.853  15.589  -1.855
  147    H    GLU  21           H        GLU  21   6.809  12.694   0.257
  148    HA   GLU  21           HA       GLU  21   9.474  11.518  -0.403
  149   1HB   GLU  21          1HB       GLU  21   7.948  11.777   2.233
  150   2HB   GLU  21          2HB       GLU  21   9.275  12.767   1.658
  151   1HG   GLU  21          1HG       GLU  21   9.568   9.766   2.321
  152   2HG   GLU  21          2HG       GLU  21  10.873  10.863   1.906
  153    H    PHE  22           H        PHE  22   6.265  10.362   0.539
  154    HA   PHE  22           HA       PHE  22   6.721   7.575   1.000
  155   1HB   PHE  22          1HB       PHE  22   4.287   7.333  -0.115
  156   2HB   PHE  22          2HB       PHE  22   4.304   9.077  -0.101
  157    HD1  PHE  22           HD1      PHE  22   2.271   7.581   1.462
  158    HD2  PHE  22           HD2      PHE  22   6.215   8.832   2.649
  159    HE1  PHE  22           HE1      PHE  22   1.597   7.500   3.824
  160    HE2  PHE  22           HE2      PHE  22   5.519   8.747   5.008
  161    HZ   PHE  22           HZ       PHE  22   3.205   8.111   5.599
  162    H    LYS  23           H        LYS  23   6.105   9.273  -2.069
  163    HA   LYS  23           HA       LYS  23   5.927   7.113  -3.930
  164   1HB   LYS  23          1HB       LYS  23   7.322   9.801  -4.483
  165   2HB   LYS  23          2HB       LYS  23   6.758   8.681  -5.705
  166   1HG   LYS  23          1HG       LYS  23   4.410   9.080  -5.109
  167   2HG   LYS  23          2HG       LYS  23   4.852   9.951  -3.654
  168   1HD   LYS  23          1HD       LYS  23   5.647  11.890  -4.918
  169   2HD   LYS  23          2HD       LYS  23   5.703  10.971  -6.413
  170   1HE   LYS  23          1HE       LYS  23   3.726  12.641  -6.135
  171   2HE   LYS  23          2HE       LYS  23   3.337  11.034  -6.753
  172   1HZ   LYS  23          1HZ       LYS  23   3.202  11.392  -3.843
  173   2HZ   LYS  23          2HZ       LYS  23   2.038  12.145  -4.742
  174   3HZ   LYS  23          3HZ       LYS  23   2.227  10.506  -4.841
  175    H    ALA  24           H        ALA  24   8.790   8.654  -2.520
  176    HA   ALA  24           HA       ALA  24  10.905   7.589  -4.173
  177   1HB   ALA  24          1HB       ALA  24  12.425   8.051  -2.259
  178   2HB   ALA  24          2HB       ALA  24  11.292   9.391  -2.517
  179   3HB   ALA  24          3HB       ALA  24  11.036   8.258  -1.165
  180    H    ALA  25           H        ALA  25   9.833   6.371  -0.977
  181    HA   ALA  25           HA       ALA  25  11.481   3.979  -0.888
  182   1HB   ALA  25          1HB       ALA  25  10.003   3.238   0.972
  183   2HB   ALA  25          2HB       ALA  25  10.442   4.948   1.143
  184   3HB   ALA  25          3HB       ALA  25   8.814   4.501   0.573
  185    H    PHE  26           H        PHE  26   8.306   4.618  -2.261
  186    HA   PHE  26           HA       PHE  26   7.385   1.859  -2.632
  187   1HB   PHE  26          1HB       PHE  26   6.518   4.301  -4.287
  188   2HB   PHE  26          2HB       PHE  26   5.949   4.003  -2.665
  189    HD1  PHE  26           HD1      PHE  26   3.634   3.453  -2.947
  190    HD2  PHE  26           HD2      PHE  26   6.514   1.512  -5.485
  191    HE1  PHE  26           HE1      PHE  26   1.877   1.965  -3.821
  192    HE2  PHE  26           HE2      PHE  26   4.737   0.060  -6.377
  193    HZ   PHE  26           HZ       PHE  26   2.422   0.275  -5.540
  194    H    ASP  27           H        ASP  27   9.284   4.115  -4.567
  195    HA   ASP  27           HA       ASP  27   9.315   2.482  -7.063
  196   1HB   ASP  27          1HB       ASP  27  10.627   5.087  -6.229
  197   2HB   ASP  27          2HB       ASP  27  11.346   4.197  -7.551
  198    H    MET  28           H        MET  28  10.991   2.350  -4.089
  199    HA   MET  28           HA       MET  28  13.660   1.473  -4.901
  200   1HB   MET  28          1HB       MET  28  12.098   1.032  -2.311
  201   2HB   MET  28          2HB       MET  28  13.643   0.241  -2.572
  202   1HG   MET  28          1HG       MET  28  14.459   2.773  -3.175
  203   2HG   MET  28          2HG       MET  28  13.064   3.195  -2.169
  204   1HE   MET  28          1HE       MET  28  15.948   0.361  -2.191
  205   2HE   MET  28          2HE       MET  28  16.743   1.961  -2.252
  206   3HE   MET  28          3HE       MET  28  16.908   0.940  -0.794
  207    H    PHE  29           H        PHE  29  10.640  -0.292  -4.252
  208    HA   PHE  29           HA       PHE  29  11.881  -2.929  -5.214
  209   1HB   PHE  29          1HB       PHE  29   9.140  -2.529  -3.852
  210   2HB   PHE  29          2HB       PHE  29   9.838  -4.050  -4.333
  211    HD1  PHE  29           HD1      PHE  29  11.578  -5.175  -3.010
  212    HD2  PHE  29           HD2      PHE  29  10.197  -1.265  -1.853
  213    HE1  PHE  29           HE1      PHE  29  12.558  -5.477  -0.773
  214    HE2  PHE  29           HE2      PHE  29  11.204  -1.580   0.370
  215    HZ   PHE  29           HZ       PHE  29  12.381  -3.681   0.915
  216    H    ASP  30           H        ASP  30  11.177  -0.591  -6.884
  217    HA   ASP  30           HA       ASP  30   9.832  -1.996  -9.126
  218   1HB   ASP  30          1HB       ASP  30   7.907  -1.199  -7.470
  219   2HB   ASP  30          2HB       ASP  30   8.205   0.386  -8.146
  220    H    ALA  31           H        ALA  31  11.827  -1.387 -10.016
  221    HA   ALA  31           HA       ALA  31  13.124   1.137 -10.264
  222   1HB   ALA  31          1HB       ALA  31  14.038   0.323 -12.442
  223   2HB   ALA  31          2HB       ALA  31  14.075  -0.943 -11.199
  224   3HB   ALA  31          3HB       ALA  31  12.841  -0.994 -12.485
  225    H    ASP  32           H        ASP  32  11.203  -0.066 -12.996
  226    HA   ASP  32           HA       ASP  32  10.039   2.716 -13.469
  227   1HB   ASP  32          1HB       ASP  32   9.794   0.565 -15.588
  228   2HB   ASP  32          2HB       ASP  32   9.889   2.303 -15.757
  229    H    GLY  33           H        GLY  33   7.828   2.936 -13.940
  230   1HA   GLY  33          1HA       GLY  33   5.978   0.630 -13.079
  231   2HA   GLY  33          2HA       GLY  33   5.540   1.782 -14.346
  232    H    GLY  34           H        GLY  34   6.762   1.928 -10.984
  233   1HA   GLY  34          1HA       GLY  34   5.988   3.172  -9.045
  234   2HA   GLY  34          2HA       GLY  34   5.863   4.516 -10.186
  235    H    GLY  35           H        GLY  35   4.069   1.440  -9.985
  236   1HA   GLY  35          1HA       GLY  35   1.425   2.973  -9.640
  237   2HA   GLY  35          2HA       GLY  35   1.573   1.717 -10.874
  238    H    ASP  36           H        ASP  36   2.802  -0.324  -9.805
  239    HA   ASP  36           HA       ASP  36   1.419  -1.099  -7.194
  240   1HB   ASP  36          1HB       ASP  36   0.748  -3.330  -8.254
  241   2HB   ASP  36          2HB       ASP  36  -0.201  -1.926  -8.682
  242    H    ILE  37           H        ILE  37   2.291  -3.065  -6.279
  243    HA   ILE  37           HA       ILE  37   5.027  -4.020  -7.231
  244    HB   ILE  37           HB       ILE  37   5.936  -3.800  -4.864
  245   1HG1  ILE  37          1HG1      ILE  37   3.531  -1.900  -4.533
  246   2HG1  ILE  37          2HG1      ILE  37   5.005  -1.675  -3.615
  247   1HG2  ILE  37          1HG2      ILE  37   6.819  -1.500  -5.275
  248   2HG2  ILE  37          2HG2      ILE  37   6.733  -2.401  -6.795
  249   3HG2  ILE  37          3HG2      ILE  37   5.507  -1.163  -6.430
  250   1HD1  ILE  37          1HD1      ILE  37   4.792  -3.874  -2.499
  251   2HD1  ILE  37          2HD1      ILE  37   3.302  -2.926  -2.304
  252   3HD1  ILE  37          3HD1      ILE  37   3.351  -4.261  -3.478
  253    H    SER  38           H        SER  38   5.670  -5.949  -5.947
  254    HA   SER  38           HA       SER  38   3.605  -7.992  -5.835
  255   1HB   SER  38          1HB       SER  38   5.402  -9.320  -5.850
  256   2HB   SER  38          2HB       SER  38   5.827  -8.829  -4.196
  257    HG   SER  38           HG       SER  38   7.338  -8.516  -6.024
  258    H    THR  39           H        THR  39   2.892  -9.191  -3.995
  259    HA   THR  39           HA       THR  39   2.052  -7.456  -1.681
  260    HB   THR  39           HB       THR  39   0.589  -9.318  -0.990
  261    HG1  THR  39           HG1      THR  39   2.220 -10.753  -2.406
  262   1HG2  THR  39          1HG2      THR  39  -1.014  -9.309  -2.850
  263   2HG2  THR  39          2HG2      THR  39  -0.303  -7.685  -2.705
  264   3HG2  THR  39          3HG2      THR  39   0.233  -8.783  -4.004
  265    H    LYS  40           H        LYS  40   4.188 -10.155  -2.393
  266    HA   LYS  40           HA       LYS  40   4.729 -11.105   0.321
  267   1HB   LYS  40          1HB       LYS  40   6.232 -11.341  -2.326
  268   2HB   LYS  40          2HB       LYS  40   7.030 -11.848  -0.852
  269   1HG   LYS  40          1HG       LYS  40   4.771 -13.118  -2.368
  270   2HG   LYS  40          2HG       LYS  40   6.119 -13.866  -1.534
  271   1HD   LYS  40          1HD       LYS  40   4.915 -13.349   0.709
  272   2HD   LYS  40          2HD       LYS  40   3.556 -12.769  -0.240
  273   1HE   LYS  40          1HE       LYS  40   2.942 -14.914  -1.026
  274   2HE   LYS  40          2HE       LYS  40   4.557 -15.596  -0.822
  275   1HZ   LYS  40          1HZ       LYS  40   3.597 -16.458   1.019
  276   2HZ   LYS  40          2HZ       LYS  40   3.931 -15.000   1.721
  277   3HZ   LYS  40          3HZ       LYS  40   2.419 -15.305   1.130
  278    H    GLU  41           H        GLU  41   6.065  -8.528  -1.676
  279    HA   GLU  41           HA       GLU  41   8.262  -7.877   0.302
  280   1HB   GLU  41          1HB       GLU  41   7.663  -6.932  -2.532
  281   2HB   GLU  41          2HB       GLU  41   8.777  -6.040  -1.514
  282   1HG   GLU  41          1HG       GLU  41  10.284  -8.011  -1.320
  283   2HG   GLU  41          2HG       GLU  41   9.119  -9.042  -2.134
  284    H    LEU  42           H        LEU  42   5.209  -6.625  -0.920
  285    HA   LEU  42           HA       LEU  42   5.097  -3.930  -0.299
  286   1HB   LEU  42          1HB       LEU  42   3.075  -6.121  -0.322
  287   2HB   LEU  42          2HB       LEU  42   3.065  -4.568  -1.130
  288    HG   LEU  42           HG       LEU  42   2.524  -4.690   1.883
  289   1HD1  LEU  42          1HD1      LEU  42   1.144  -2.649   1.400
  290   2HD1  LEU  42          2HD1      LEU  42   2.822  -2.426   0.884
  291   3HD1  LEU  42          3HD1      LEU  42   1.561  -2.758  -0.330
  292   1HD2  LEU  42          1HD2      LEU  42   0.391  -5.191  -0.300
  293   2HD2  LEU  42          2HD2      LEU  42   0.970  -6.383   0.890
  294   3HD2  LEU  42          3HD2      LEU  42   0.076  -4.954   1.438
  295    H    GLY  43           H        GLY  43   4.592  -6.561   2.074
  296   1HA   GLY  43          1HA       GLY  43   4.551  -6.552   4.523
  297   2HA   GLY  43          2HA       GLY  43   4.111  -4.846   4.422
  298    H    THR  44           H        THR  44   7.020  -6.577   3.233
  299    HA   THR  44           HA       THR  44   8.952  -5.806   5.126
  300    HB   THR  44           HB       THR  44   9.243  -6.325   2.158
  301    HG1  THR  44           HG1      THR  44  10.727  -7.622   4.055
  302   1HG2  THR  44          1HG2      THR  44  11.730  -6.248   2.363
  303   2HG2  THR  44          2HG2      THR  44  11.023  -4.629   2.548
  304   3HG2  THR  44          3HG2      THR  44  11.591  -5.520   3.983
  305    H    VAL  45           H        VAL  45   7.380  -3.890   2.653
  306    HA   VAL  45           HA       VAL  45   9.186  -1.533   2.754
  307    HB   VAL  45           HB       VAL  45   6.324  -1.565   1.673
  308   1HG1  VAL  45          1HG1      VAL  45   8.867  -2.151   0.031
  309   2HG1  VAL  45          2HG1      VAL  45   7.781  -3.414   0.623
  310   3HG1  VAL  45          3HG1      VAL  45   7.174  -2.201  -0.526
  311   1HG2  VAL  45          1HG2      VAL  45   6.967   0.329   0.276
  312   2HG2  VAL  45          2HG2      VAL  45   7.460   0.742   1.934
  313   3HG2  VAL  45          3HG2      VAL  45   8.678   0.210   0.765
  314    H    MET  46           H        MET  46   6.052  -2.460   4.172
  315    HA   MET  46           HA       MET  46   5.430   0.061   5.517
  316   1HB   MET  46          1HB       MET  46   3.544  -0.957   6.288
  317   2HB   MET  46          2HB       MET  46   3.965  -2.161   5.081
  318   1HG   MET  46          1HG       MET  46   5.287  -3.338   7.124
  319   2HG   MET  46          2HG       MET  46   3.543  -3.557   6.905
  320   1HE   MET  46          1HE       MET  46   2.021  -3.449   8.916
  321   2HE   MET  46          2HE       MET  46   3.472  -4.292   9.534
  322   3HE   MET  46          3HE       MET  46   2.684  -3.031  10.527
  323    NH1  ARG  47           NH1      ARG  47  12.878  -6.184   9.400
  324    NH2  ARG  47           NH2      ARG  47  12.566  -7.520  11.211
  325    H    ARG  47           H        ARG  47   7.533  -2.611   6.343
  326    HA   ARG  47           HA       ARG  47   7.823  -1.757   9.263
  327   1HB   ARG  47          1HB       ARG  47   7.561  -4.088   9.243
  328   2HB   ARG  47          2HB       ARG  47   8.382  -4.291   7.703
  329   1HG   ARG  47          1HG       ARG  47   9.714  -3.799  10.425
  330   2HG   ARG  47          2HG       ARG  47  10.604  -3.651   8.909
  331   1HD   ARG  47          1HD       ARG  47   9.002  -6.211   9.388
  332   2HD   ARG  47          2HD       ARG  47  10.439  -5.979   8.394
  333    HE   ARG  47           HE       ARG  47  10.488  -6.087  11.451
  334   1HH1  ARG  47          1HH1      ARG  47  13.558  -7.759  11.106
  335   2HH1  ARG  47          2HH1      ARG  47  11.909  -7.905  11.898
  336   1HH2  ARG  47          1HH2      ARG  47  12.456  -5.569   8.696
  337   2HH2  ARG  47          2HH2      ARG  47  13.856  -6.494   9.439
  338    H    MET  48           H        MET  48   9.520  -1.865   6.191
  339    HA   MET  48           HA       MET  48  12.213  -1.240   7.409
  340   1HB   MET  48          1HB       MET  48  11.928  -2.774   5.365
  341   2HB   MET  48          2HB       MET  48  11.490  -1.363   4.419
  342   1HG   MET  48          1HG       MET  48  13.700  -1.069   3.949
  343   2HG   MET  48          2HG       MET  48  13.962  -0.610   5.638
  344   1HE   MET  48          1HE       MET  48  16.312  -1.642   4.184
  345   2HE   MET  48          2HE       MET  48  16.723  -3.378   4.312
  346   3HE   MET  48          3HE       MET  48  15.572  -2.826   3.061
  347    H    LEU  49           H        LEU  49   9.665   0.598   7.298
  348    HA   LEU  49           HA       LEU  49  11.057   3.144   6.332
  349   1HB   LEU  49          1HB       LEU  49   8.671   4.142   6.858
  350   2HB   LEU  49          2HB       LEU  49   8.120   2.481   6.887
  351    HG   LEU  49           HG       LEU  49   8.706   2.128   4.532
  352   1HD1  LEU  49          1HD1      LEU  49   7.201   3.783   3.417
  353   2HD1  LEU  49          2HD1      LEU  49   6.506   3.245   4.957
  354   3HD1  LEU  49          3HD1      LEU  49   7.272   4.849   4.843
  355   1HD2  LEU  49          1HD2      LEU  49   9.944   4.964   4.529
  356   2HD2  LEU  49          2HD2      LEU  49  10.834   3.429   4.373
  357   3HD2  LEU  49          3HD2      LEU  49   9.715   3.929   3.096
  358    H    GLY  50           H        GLY  50   9.932   1.321   9.099
  359   1HA   GLY  50          1HA       GLY  50   9.706   3.506  11.045
  360   2HA   GLY  50          2HA       GLY  50  11.355   2.912  11.146
  361    H    GLN  51           H        GLN  51   8.616   0.823  10.371
  362    HA   GLN  51           HA       GLN  51   8.033   0.017  13.213
  363   1HB   GLN  51          1HB       GLN  51   6.839  -0.716  10.502
  364   2HB   GLN  51          2HB       GLN  51   6.545  -1.757  11.884
  365   1HG   GLN  51          1HG       GLN  51   4.686  -0.366  12.004
  366   2HG   GLN  51          2HG       GLN  51   5.751   0.438  13.138
  367   1HE2  GLN  51          1HE2      GLN  51   4.583   3.272  11.110
  368   2HE2  GLN  51          2HE2      GLN  51   3.987   2.116  12.405
  369    H    ASN  52           H        ASN  52   7.697  -2.523  13.376
  370    HA   ASN  52           HA       ASN  52   9.993  -4.147  12.338
  371   1HB   ASN  52          1HB       ASN  52  11.031  -2.726  14.113
  372   2HB   ASN  52          2HB       ASN  52   9.932  -3.370  15.314
  373   1HD2  ASN  52          1HD2      ASN  52  13.327  -5.420  14.214
  374   2HD2  ASN  52          2HD2      ASN  52  12.819  -3.835  13.442
  375    HA   PRO  53           HA       PRO  53   6.099  -6.373  14.202
  376   1HB   PRO  53          1HB       PRO  53   4.644  -7.118  11.996
  377   2HB   PRO  53          2HB       PRO  53   4.624  -5.481  12.670
  378   1HG   PRO  53          1HG       PRO  53   6.198  -6.484  10.254
  379   2HG   PRO  53          2HG       PRO  53   5.252  -4.985  10.401
  380   1HD   PRO  53          1HD       PRO  53   8.042  -5.137  10.749
  381   2HD   PRO  53          2HD       PRO  53   7.034  -3.866  11.507
  382    H    THR  54           H        THR  54   5.135  -8.682  12.956
  383    HA   THR  54           HA       THR  54   7.572 -10.525  12.843
  384    HB   THR  54           HB       THR  54   4.801 -11.618  13.370
  385    HG1  THR  54           HG1      THR  54   4.912 -10.005  14.815
  386   1HG2  THR  54          1HG2      THR  54   6.006 -13.267  14.764
  387   2HG2  THR  54          2HG2      THR  54   6.705 -13.240  13.129
  388   3HG2  THR  54          3HG2      THR  54   7.557 -12.444  14.476
  389    H    LYS  55           H        LYS  55   6.934 -12.633  11.599
  390    HA   LYS  55           HA       LYS  55   6.383 -11.845   8.751
  391   1HB   LYS  55          1HB       LYS  55   7.391 -14.391  10.101
  392   2HB   LYS  55          2HB       LYS  55   6.782 -14.483   8.462
  393   1HG   LYS  55          1HG       LYS  55   9.008 -12.535   9.304
  394   2HG   LYS  55          2HG       LYS  55   9.335 -14.184   8.808
  395   1HD   LYS  55          1HD       LYS  55   8.916 -13.753   6.534
  396   2HD   LYS  55          2HD       LYS  55   7.658 -12.580   6.888
  397   1HE   LYS  55          1HE       LYS  55   9.180 -10.773   7.215
  398   2HE   LYS  55          2HE       LYS  55  10.561 -11.828   7.518
  399   1HZ   LYS  55          1HZ       LYS  55   9.971 -12.546   5.020
  400   2HZ   LYS  55          2HZ       LYS  55   9.391 -11.000   4.973
  401   3HZ   LYS  55          3HZ       LYS  55  10.971 -11.277   5.366
  402    H    GLU  56           H        GLU  56   4.926 -13.771  11.334
  403    HA   GLU  56           HA       GLU  56   2.762 -15.031   9.821
  404   1HB   GLU  56          1HB       GLU  56   2.127 -15.996  11.758
  405   2HB   GLU  56          2HB       GLU  56   3.698 -15.445  12.305
  406   1HG   GLU  56          1HG       GLU  56   2.334 -13.260  13.119
  407   2HG   GLU  56          2HG       GLU  56   0.938 -14.316  12.986
  408    H    GLU  57           H        GLU  57   3.128 -11.915  11.418
  409    HA   GLU  57           HA       GLU  57   0.317 -11.005  11.335
  410   1HB   GLU  57          1HB       GLU  57   2.733  -9.136  11.286
  411   2HB   GLU  57          2HB       GLU  57   1.108  -8.786  11.840
  412   1HG   GLU  57          1HG       GLU  57   2.745 -10.961  13.256
  413   2HG   GLU  57          2HG       GLU  57   3.078  -9.269  13.580
  414    H    LEU  58           H        LEU  58   3.066 -10.900   9.119
  415    HA   LEU  58           HA       LEU  58   2.052  -9.084   7.059
  416   1HB   LEU  58          1HB       LEU  58   4.443 -10.088   7.307
  417   2HB   LEU  58          2HB       LEU  58   3.827 -11.531   6.531
  418    HG   LEU  58           HG       LEU  58   3.388  -8.888   5.087
  419   1HD1  LEU  58          1HD1      LEU  58   4.211 -11.651   3.991
  420   2HD1  LEU  58          2HD1      LEU  58   2.528 -11.140   4.187
  421   3HD1  LEU  58          3HD1      LEU  58   3.593 -10.260   3.064
  422   1HD2  LEU  58          1HD2      LEU  58   5.657  -8.875   4.107
  423   2HD2  LEU  58          2HD2      LEU  58   5.816  -8.811   5.880
  424   3HD2  LEU  58          3HD2      LEU  58   6.115 -10.333   5.022
  425    H    ASP  59           H        ASP  59   1.526 -12.489   7.790
  426    HA   ASP  59           HA       ASP  59   0.163 -13.223   5.276
  427   1HB   ASP  59          1HB       ASP  59   0.465 -14.642   7.959
  428   2HB   ASP  59          2HB       ASP  59   1.185 -15.036   6.415
  429    H    ALA  60           H        ALA  60  -0.854 -11.973   8.402
  430    HA   ALA  60           HA       ALA  60  -3.762 -12.296   8.162
  431   1HB   ALA  60          1HB       ALA  60  -3.907 -10.556   9.937
  432   2HB   ALA  60          2HB       ALA  60  -2.682 -11.779  10.328
  433   3HB   ALA  60          3HB       ALA  60  -2.180 -10.171   9.746
  434    H    ILE  61           H        ILE  61  -1.664  -9.448   7.569
  435    HA   ILE  61           HA       ILE  61  -3.529  -7.633   6.448
  436    HB   ILE  61           HB       ILE  61  -0.551  -7.897   6.197
  437   1HG1  ILE  61          1HG1      ILE  61  -0.949  -5.255   6.710
  438   2HG1  ILE  61          2HG1      ILE  61  -2.529  -5.807   7.224
  439   1HG2  ILE  61          1HG2      ILE  61  -0.352  -6.035   4.528
  440   2HG2  ILE  61          2HG2      ILE  61  -1.150  -7.433   3.809
  441   3HG2  ILE  61          3HG2      ILE  61  -2.118  -6.024   4.303
  442   1HD1  ILE  61          1HD1      ILE  61   0.119  -6.774   8.453
  443   2HD1  ILE  61          2HD1      ILE  61  -1.091  -5.698   9.182
  444   3HD1  ILE  61          3HD1      ILE  61  -1.495  -7.404   8.882
  445    H    ILE  62           H        ILE  62  -1.864 -10.393   5.027
  446    HA   ILE  62           HA       ILE  62  -2.536  -9.852   2.186
  447    HB   ILE  62           HB       ILE  62  -1.456 -12.355   3.568
  448   1HG1  ILE  62          1HG1      ILE  62  -0.042 -10.068   3.035
  449   2HG1  ILE  62          2HG1      ILE  62   0.671 -11.667   3.019
  450   1HG2  ILE  62          1HG2      ILE  62  -1.081 -13.360   1.301
  451   2HG2  ILE  62          2HG2      ILE  62  -2.801 -13.099   1.580
  452   3HG2  ILE  62          3HG2      ILE  62  -1.901 -11.979   0.532
  453   1HD1  ILE  62          1HD1      ILE  62  -0.231 -10.156   0.497
  454   2HD1  ILE  62          2HD1      ILE  62   1.429 -10.485   1.036
  455   3HD1  ILE  62          3HD1      ILE  62   0.389 -11.830   0.515
  456    H    GLU  63           H        GLU  63  -3.960 -11.683   4.840
  457    HA   GLU  63           HA       GLU  63  -5.977 -13.149   3.273
  458   1HB   GLU  63          1HB       GLU  63  -5.257 -14.001   5.436
  459   2HB   GLU  63          2HB       GLU  63  -5.814 -12.565   6.272
  460   1HG   GLU  63          1HG       GLU  63  -8.220 -13.315   5.210
  461   2HG   GLU  63          2HG       GLU  63  -7.439 -14.886   5.156
  462    H    GLU  64           H        GLU  64  -5.861  -9.980   4.778
  463    HA   GLU  64           HA       GLU  64  -8.814  -9.490   4.642
  464   1HB   GLU  64          1HB       GLU  64  -6.702  -7.377   5.280
  465   2HB   GLU  64          2HB       GLU  64  -7.154  -8.607   6.445
  466   1HG   GLU  64          1HG       GLU  64  -9.394  -6.952   5.189
  467   2HG   GLU  64          2HG       GLU  64  -8.342  -6.167   6.355
  468    H    VAL  65           H        VAL  65  -5.901  -8.467   2.894
  469    HA   VAL  65           HA       VAL  65  -7.270  -6.421   1.212
  470    HB   VAL  65           HB       VAL  65  -4.452  -7.595   1.019
  471   1HG1  VAL  65          1HG1      VAL  65  -3.921  -5.796  -0.638
  472   2HG1  VAL  65          2HG1      VAL  65  -5.167  -6.888  -1.270
  473   3HG1  VAL  65          3HG1      VAL  65  -5.625  -5.278  -0.664
  474   1HG2  VAL  65          1HG2      VAL  65  -5.394  -4.813   2.003
  475   2HG2  VAL  65          2HG2      VAL  65  -4.749  -6.125   3.018
  476   3HG2  VAL  65          3HG2      VAL  65  -3.701  -5.338   1.829
  477    H    ASP  66           H        ASP  66  -6.110  -9.765   0.816
  478    HA   ASP  66           HA       ASP  66  -7.221  -9.901  -2.018
  479   1HB   ASP  66          1HB       ASP  66  -4.778 -10.683  -1.337
  480   2HB   ASP  66          2HB       ASP  66  -5.569 -12.128  -0.752
  481    H    GLU  67           H        GLU  67  -9.077  -9.697  -0.040
  482    HA   GLU  67           HA       GLU  67 -10.166 -12.333   0.870
  483   1HB   GLU  67          1HB       GLU  67 -10.730 -10.598   2.334
  484   2HB   GLU  67          2HB       GLU  67 -11.123  -9.465   1.056
  485   1HG   GLU  67          1HG       GLU  67 -13.313 -10.352   0.734
  486   2HG   GLU  67          2HG       GLU  67 -12.892 -11.936   1.365
  487    H    ASP  68           H        ASP  68 -10.607 -10.075  -1.796
  488    HA   ASP  68           HA       ASP  68 -12.826 -11.737  -3.049
  489   1HB   ASP  68          1HB       ASP  68 -11.740  -8.965  -3.783
  490   2HB   ASP  68          2HB       ASP  68 -12.813  -9.860  -4.833
  491    H    GLY  69           H        GLY  69 -10.394  -9.956  -4.864
  492   1HA   GLY  69          1HA       GLY  69  -9.815 -11.795  -6.962
  493   2HA   GLY  69          2HA       GLY  69  -8.804 -12.380  -5.636
  494    H    SER  70           H        SER  70  -7.597 -11.558  -7.869
  495    HA   SER  70           HA       SER  70  -5.870 -10.134  -8.766
  496   1HB   SER  70          1HB       SER  70  -6.875  -7.748  -7.180
  497   2HB   SER  70          2HB       SER  70  -7.894  -8.412  -8.460
  498    HG   SER  70           HG       SER  70  -6.435  -7.920  -9.929
  499    H    GLY  71           H        GLY  71  -3.985 -10.751  -7.968
  500   1HA   GLY  71          1HA       GLY  71  -2.373 -11.409  -6.164
  501   2HA   GLY  71          2HA       GLY  71  -3.270 -10.389  -5.035
  502    H    THR  72           H        THR  72  -3.391  -7.990  -5.911
  503    HA   THR  72           HA       THR  72  -0.538  -7.042  -6.273
  504    HB   THR  72           HB       THR  72  -1.474  -5.236  -7.937
  505    HG1  THR  72           HG1      THR  72  -3.407  -5.569  -8.418
  506   1HG2  THR  72          1HG2      THR  72  -1.256  -7.896  -9.375
  507   2HG2  THR  72          2HG2      THR  72  -0.534  -6.323  -9.780
  508   3HG2  THR  72          3HG2      THR  72   0.173  -7.325  -8.485
  509    H    ILE  73           H        ILE  73  -0.248  -4.817  -5.666
  510    HA   ILE  73           HA       ILE  73  -2.499  -3.544  -4.088
  511    HB   ILE  73           HB       ILE  73  -0.930  -4.874  -2.571
  512   1HG1  ILE  73          1HG1      ILE  73  -0.853  -2.690  -0.915
  513   2HG1  ILE  73          2HG1      ILE  73  -1.925  -2.060  -2.153
  514   1HG2  ILE  73          1HG2      ILE  73   1.170  -3.873  -1.750
  515   2HG2  ILE  73          2HG2      ILE  73   1.305  -4.134  -3.495
  516   3HG2  ILE  73          3HG2      ILE  73   1.015  -2.494  -2.864
  517   1HD1  ILE  73          1HD1      ILE  73  -2.883  -3.458  -0.023
  518   2HD1  ILE  73          2HD1      ILE  73  -3.689  -3.452  -1.606
  519   3HD1  ILE  73          3HD1      ILE  73  -2.650  -4.822  -1.150
  520    H    ASP  74           H        ASP  74  -2.475  -1.314  -4.022
  521    HA   ASP  74           HA       ASP  74  -0.749   0.023  -6.170
  522   1HB   ASP  74          1HB       ASP  74  -3.049   1.617  -5.707
  523   2HB   ASP  74          2HB       ASP  74  -3.579  -0.079  -5.909
  524    H    PHE  75           H        PHE  75  -0.765   2.510  -5.791
  525    HA   PHE  75           HA       PHE  75   0.773   2.982  -3.288
  526   1HB   PHE  75          1HB       PHE  75   1.489   3.988  -5.435
  527   2HB   PHE  75          2HB       PHE  75   0.002   4.886  -5.579
  528    HD1  PHE  75           HD1      PHE  75  -0.157   7.097  -4.591
  529    HD2  PHE  75           HD2      PHE  75   3.034   4.492  -3.345
  530    HE1  PHE  75           HE1      PHE  75   0.941   8.975  -3.441
  531    HE2  PHE  75           HE2      PHE  75   4.108   6.381  -2.187
  532    HZ   PHE  75           HZ       PHE  75   3.070   8.621  -2.236
  533    H    GLU  76           H        GLU  76  -2.433   3.714  -4.547
  534    HA   GLU  76           HA       GLU  76  -3.329   5.650  -2.544
  535   1HB   GLU  76          1HB       GLU  76  -4.840   3.800  -4.434
  536   2HB   GLU  76          2HB       GLU  76  -5.703   4.729  -3.225
  537   1HG   GLU  76          1HG       GLU  76  -3.829   6.030  -5.304
  538   2HG   GLU  76          2HG       GLU  76  -4.908   6.871  -4.203
  539    H    GLU  77           H        GLU  77  -3.967   2.146  -2.847
  540    HA   GLU  77           HA       GLU  77  -5.301   1.733  -0.272
  541   1HB   GLU  77          1HB       GLU  77  -3.675  -0.535  -1.421
  542   2HB   GLU  77          2HB       GLU  77  -5.254  -0.550  -0.662
  543   1HG   GLU  77          1HG       GLU  77  -6.082   0.738  -2.844
  544   2HG   GLU  77          2HG       GLU  77  -4.556   0.230  -3.547
  545    H    PHE  78           H        PHE  78  -1.930   1.823  -1.284
  546    HA   PHE  78           HA       PHE  78  -0.598   0.699   1.015
  547   1HB   PHE  78          1HB       PHE  78   0.377   2.915  -0.880
  548   2HB   PHE  78          2HB       PHE  78   0.593   1.198  -1.098
  549    HD1  PHE  78           HD1      PHE  78   1.584   0.198   1.510
  550    HD2  PHE  78           HD2      PHE  78   2.426   3.962  -0.396
  551    HE1  PHE  78           HE1      PHE  78   3.748   0.317   2.677
  552    HE2  PHE  78           HE2      PHE  78   4.597   4.051   0.759
  553    HZ   PHE  78           HZ       PHE  78   5.252   2.245   2.313
  554    H    LEU  79           H        LEU  79  -1.683   4.021   0.346
  555    HA   LEU  79           HA       LEU  79  -0.681   5.311   2.794
  556   1HB   LEU  79          1HB       LEU  79  -2.414   7.110   2.269
  557   2HB   LEU  79          2HB       LEU  79  -3.010   6.118   0.956
  558    HG   LEU  79           HG       LEU  79  -0.549   6.208  -0.002
  559   1HD1  LEU  79          1HD1      LEU  79  -0.395   8.681   1.836
  560   2HD1  LEU  79          2HD1      LEU  79   0.487   7.169   2.123
  561   3HD1  LEU  79          3HD1      LEU  79   0.837   8.137   0.669
  562   1HD2  LEU  79          1HD2      LEU  79  -1.038   8.263  -1.258
  563   2HD2  LEU  79          2HD2      LEU  79  -2.592   7.443  -0.967
  564   3HD2  LEU  79          3HD2      LEU  79  -2.145   8.849   0.010
  565    H    VAL  80           H        VAL  80  -3.618   3.563   1.934
  566    HA   VAL  80           HA       VAL  80  -5.316   4.315   4.189
  567    HB   VAL  80           HB       VAL  80  -5.431   2.176   2.095
  568   1HG1  VAL  80          1HG1      VAL  80  -7.681   3.967   3.205
  569   2HG1  VAL  80          2HG1      VAL  80  -6.574   4.489   1.928
  570   3HG1  VAL  80          3HG1      VAL  80  -7.641   3.093   1.651
  571   1HG2  VAL  80          1HG2      VAL  80  -7.273   0.906   3.094
  572   2HG2  VAL  80          2HG2      VAL  80  -5.914   0.837   4.240
  573   3HG2  VAL  80          3HG2      VAL  80  -7.275   1.923   4.556
  574    H    MET  81           H        MET  81  -2.858   1.836   3.697
  575    HA   MET  81           HA       MET  81  -3.369   0.249   6.135
  576   1HB   MET  81          1HB       MET  81  -0.797   0.357   4.451
  577   2HB   MET  81          2HB       MET  81  -1.173  -0.839   5.678
  578   1HG   MET  81          1HG       MET  81  -2.932  -0.456   3.175
  579   2HG   MET  81          2HG       MET  81  -3.003  -1.788   4.340
  580   1HE   MET  81          1HE       MET  81  -2.364  -3.898   2.206
  581   2HE   MET  81          2HE       MET  81  -0.847  -4.381   3.020
  582   3HE   MET  81          3HE       MET  81  -2.237  -3.811   3.991
  583    H    MET  82           H        MET  82  -0.873   2.652   5.256
  584    HA   MET  82           HA       MET  82   0.696   2.666   7.658
  585   1HB   MET  82          1HB       MET  82   1.461   4.954   7.045
  586   2HB   MET  82          2HB       MET  82   0.137   5.127   5.907
  587   1HG   MET  82          1HG       MET  82   2.173   4.590   4.653
  588   2HG   MET  82          2HG       MET  82   1.079   3.203   4.529
  589   1HE   MET  82          1HE       MET  82   3.297   4.031   7.956
  590   2HE   MET  82          2HE       MET  82   4.846   3.453   7.274
  591   3HE   MET  82          3HE       MET  82   3.998   4.831   6.514
  592    H    VAL  83           H        VAL  83  -2.085   4.749   6.821
  593    HA   VAL  83           HA       VAL  83  -2.293   6.266   9.273
  594    HB   VAL  83           HB       VAL  83  -4.515   5.500   7.316
  595   1HG1  VAL  83          1HG1      VAL  83  -3.074   8.209   7.612
  596   2HG1  VAL  83          2HG1      VAL  83  -2.591   6.979   6.436
  597   3HG1  VAL  83          3HG1      VAL  83  -4.209   7.710   6.332
  598   1HG2  VAL  83          1HG2      VAL  83  -5.961   7.217   8.280
  599   2HG2  VAL  83          2HG2      VAL  83  -5.465   6.166   9.627
  600   3HG2  VAL  83          3HG2      VAL  83  -4.700   7.748   9.422
  601    NH1  ARG  84           NH1      ARG  84  -9.395  -1.758   7.851
  602    NH2  ARG  84           NH2      ARG  84  -9.720  -0.334   6.111
  603    H    ARG  84           H        ARG  84  -3.855   3.196   8.321
  604    HA   ARG  84           HA       ARG  84  -5.467   2.620  10.667
  605   1HB   ARG  84          1HB       ARG  84  -4.806   0.094   9.993
  606   2HB   ARG  84          2HB       ARG  84  -4.134   0.875   8.568
  607   1HG   ARG  84          1HG       ARG  84  -6.972   1.643   9.338
  608   2HG   ARG  84          2HG       ARG  84  -6.218   1.599   7.743
  609   1HD   ARG  84          1HD       ARG  84  -6.067  -1.102   8.436
  610   2HD   ARG  84          2HD       ARG  84  -7.537  -0.638   9.289
  611    HE   ARG  84           HE       ARG  84  -7.210  -0.097   6.293
  612   1HH1  ARG  84          1HH1      ARG  84 -10.637  -0.785   6.016
  613   2HH1  ARG  84          2HH1      ARG  84  -9.361   0.452   5.558
  614   1HH2  ARG  84          1HH2      ARG  84  -8.796  -2.046   8.633
  615   2HH2  ARG  84          2HH2      ARG  84 -10.326  -2.125   7.621
  616    H    GLN  85           H        GLN  85  -2.005   2.281  10.067
  617    HA   GLN  85           HA       GLN  85  -1.425   0.562  12.450
  618   1HB   GLN  85          1HB       GLN  85  -0.046   1.155  10.068
  619   2HB   GLN  85          2HB       GLN  85   0.878   2.034  11.274
  620   1HG   GLN  85          1HG       GLN  85   1.356   0.018  12.559
  621   2HG   GLN  85          2HG       GLN  85   1.782  -0.263  10.884
  622   1HE2  GLN  85          1HE2      GLN  85  -0.599  -2.947  10.489
  623   2HE2  GLN  85          2HE2      GLN  85   0.707  -1.896   9.744
  624    H    MET  86           H        MET  86  -1.339   3.982  11.612
  625    HA   MET  86           HA       MET  86   0.311   4.988  13.825
  626   1HB   MET  86          1HB       MET  86  -1.498   6.257  11.769
  627   2HB   MET  86          2HB       MET  86  -1.233   7.180  13.238
  628   1HG   MET  86          1HG       MET  86   1.387   6.256  12.414
  629   2HG   MET  86          2HG       MET  86   0.563   6.830  10.956
  630   1HE   MET  86          1HE       MET  86   3.123   9.401  12.500
  631   2HE   MET  86          2HE       MET  86   2.868   8.020  11.393
  632   3HE   MET  86          3HE       MET  86   2.291   9.648  10.932
  633    H    LYS  87           H        LYS  87  -3.124   4.319  13.417
  634    HA   LYS  87           HA       LYS  87  -4.094   5.566  15.938
  635   1HB   LYS  87          1HB       LYS  87  -5.581   5.078  13.938
  636   2HB   LYS  87          2HB       LYS  87  -5.443   3.362  14.259
  637   1HG   LYS  87          1HG       LYS  87  -6.846   3.439  16.133
  638   2HG   LYS  87          2HG       LYS  87  -6.403   5.079  16.563
  639   1HD   LYS  87          1HD       LYS  87  -7.754   5.827  14.411
  640   2HD   LYS  87          2HD       LYS  87  -8.349   4.176  14.373
  641   1HE   LYS  87          1HE       LYS  87  -9.516   4.378  16.481
  642   2HE   LYS  87          2HE       LYS  87  -8.670   5.861  16.926
  643   1HZ   LYS  87          1HZ       LYS  87 -10.933   5.496  15.124
  644   2HZ   LYS  87          2HZ       LYS  87 -10.570   6.764  16.118
  645   3HZ   LYS  87          3HZ       LYS  87  -9.834   6.633  14.645
  646    H    GLU  88           H        GLU  88  -3.012   2.351  14.901
  647    HA   GLU  88           HA       GLU  88  -2.254   0.426  16.119
  648   1HB   GLU  88          1HB       GLU  88  -1.261   2.554  17.523
  649   2HB   GLU  88          2HB       GLU  88  -2.269   1.848  18.771
  650   1HG   GLU  88          1HG       GLU  88  -0.300   0.062  17.238
  651   2HG   GLU  88          2HG       GLU  88   0.290   1.128  18.503
  652    H    ASP  89           H        ASP  89  -4.010  -0.826  15.890
  653    HA   ASP  89           HA       ASP  89  -6.138  -0.803  18.098
  654   1HB   ASP  89          1HB       ASP  89  -7.684  -1.864  16.265
  655   2HB   ASP  89          2HB       ASP  89  -6.537  -1.247  15.100
  656    H    ALA  90           H        ALA  90  -7.244  -2.980  18.219
  657    HA   ALA  90           HA       ALA  90  -5.462  -5.380  17.667
  658   1HB   ALA  90          1HB       ALA  90  -5.996  -6.001  20.269
  659   2HB   ALA  90          2HB       ALA  90  -4.529  -5.123  19.796
  660   3HB   ALA  90          3HB       ALA  90  -5.923  -4.230  20.452
   
  Start of MODEL          31
 Raw file had  660 H/Q atoms
  Start of MODEL   31
    1   1H    ALA   1          1H        ALA   1 -21.464  -2.165   8.485
    2   2H    ALA   1          2H        ALA   1 -22.713  -1.196   7.912
    3   3H    ALA   1          3H        ALA   1 -22.548  -2.773   7.352
    4    HA   ALA   1           HA       ALA   1 -20.245  -2.069   6.586
    5   1HB   ALA   1          1HB       ALA   1 -22.911  -1.372   5.236
    6   2HB   ALA   1          2HB       ALA   1 -21.367  -1.108   4.402
    7   3HB   ALA   1          3HB       ALA   1 -21.835  -2.752   4.908
    8    H    SER   2           H        SER   2 -19.178  -0.215   5.669
    9    HA   SER   2           HA       SER   2 -20.123   2.590   6.229
   10   1HB   SER   2          1HB       SER   2 -19.215   1.666   8.459
   11   2HB   SER   2          2HB       SER   2 -17.610   1.675   7.722
   12    HG   SER   2           HG       SER   2 -17.725   3.618   8.526
   13    H    MET   3           H        MET   3 -19.771   1.910   3.821
   14    HA   MET   3           HA       MET   3 -16.917   2.607   2.920
   15   1HB   MET   3          1HB       MET   3 -18.995   1.345   1.066
   16   2HB   MET   3          2HB       MET   3 -18.057   0.347   2.164
   17   1HG   MET   3          1HG       MET   3 -15.972   0.838   1.063
   18   2HG   MET   3          2HG       MET   3 -16.617   2.284   0.271
   19   1HE   MET   3          1HE       MET   3 -17.727  -2.122  -0.884
   20   2HE   MET   3          2HE       MET   3 -16.463  -1.668   0.297
   21   3HE   MET   3          3HE       MET   3 -18.187  -1.415   0.696
   22    H    THR   4           H        THR   4 -17.902   4.736   3.735
   23    HA   THR   4           HA       THR   4 -19.587   6.230   1.738
   24    HB   THR   4           HB       THR   4 -18.143   7.464   4.127
   25    HG1  THR   4           HG1      THR   4 -19.340   6.165   5.184
   26   1HG2  THR   4          1HG2      THR   4 -19.966   9.124   4.135
   27   2HG2  THR   4          2HG2      THR   4 -19.157   9.159   2.553
   28   3HG2  THR   4          3HG2      THR   4 -20.747   8.371   2.728
   29    H    ASP   5           H        ASP   5 -16.691   5.080   1.332
   30    HA   ASP   5           HA       ASP   5 -15.029   5.650  -0.342
   31   1HB   ASP   5          1HB       ASP   5 -15.758   8.595  -0.362
   32   2HB   ASP   5          2HB       ASP   5 -15.071   7.602  -1.627
   33    H    GLN   6           H        GLN   6 -14.434   5.250   2.162
   34    HA   GLN   6           HA       GLN   6 -12.952   7.546   3.452
   35   1HB   GLN   6          1HB       GLN   6 -12.303   5.533   5.095
   36   2HB   GLN   6          2HB       GLN   6 -13.859   6.340   5.166
   37   1HG   GLN   6          1HG       GLN   6 -13.658   3.875   3.397
   38   2HG   GLN   6          2HG       GLN   6 -15.050   4.511   4.250
   39   1HE2  GLN   6          1HE2      GLN   6 -13.404   1.417   5.977
   40   2HE2  GLN   6          2HE2      GLN   6 -13.749   1.802   4.217
   41    H    GLN   7           H        GLN   7 -12.103   6.429   0.794
   42    HA   GLN   7           HA       GLN   7  -9.410   5.162   1.224
   43   1HB   GLN   7          1HB       GLN   7  -9.168   5.105  -1.118
   44   2HB   GLN   7          2HB       GLN   7 -10.882   4.835  -0.854
   45   1HG   GLN   7          1HG       GLN   7 -11.240   7.378  -1.308
   46   2HG   GLN   7          2HG       GLN   7  -9.571   7.437  -1.837
   47   1HE2  GLN   7          1HE2      GLN   7 -12.447   5.881  -4.328
   48   2HE2  GLN   7          2HE2      GLN   7 -12.796   6.682  -2.714
   49    H    ALA   8           H        ALA   8 -10.742   8.363   0.384
   50    HA   ALA   8           HA       ALA   8  -8.044   9.709   0.448
   51   1HB   ALA   8          1HB       ALA   8  -9.610  11.807   0.030
   52   2HB   ALA   8          2HB       ALA   8  -9.358  10.623  -1.266
   53   3HB   ALA   8          3HB       ALA   8 -10.866  10.595  -0.317
   54    H    GLU   9           H        GLU   9  -9.514   8.497   2.903
   55    HA   GLU   9           HA       GLU   9  -9.888  10.843   4.744
   56   1HB   GLU   9          1HB       GLU   9 -11.292   9.347   5.636
   57   2HB   GLU   9          2HB       GLU   9 -10.549   7.990   4.812
   58   1HG   GLU   9          1HG       GLU   9  -9.734   9.180   7.533
   59   2HG   GLU   9          2HG       GLU   9  -8.703   8.047   6.677
   60    H    ALA  10           H        ALA  10  -7.461   8.416   3.953
   61    HA   ALA  10           HA       ALA  10  -5.687   8.850   6.294
   62   1HB   ALA  10          1HB       ALA  10  -4.082   7.387   5.077
   63   2HB   ALA  10          2HB       ALA  10  -5.709   6.680   5.101
   64   3HB   ALA  10          3HB       ALA  10  -5.093   7.444   3.613
   65    NH1  ARG  11           NH1      ARG  11  -4.786  15.832  -1.863
   66    NH2  ARG  11           NH2      ARG  11  -6.848  15.204  -2.579
   67    H    ARG  11           H        ARG  11  -5.733   9.918   2.902
   68    HA   ARG  11           HA       ARG  11  -3.144  11.365   2.840
   69   1HB   ARG  11          1HB       ARG  11  -4.162  10.688   0.726
   70   2HB   ARG  11          2HB       ARG  11  -5.648  11.553   1.087
   71   1HG   ARG  11          1HG       ARG  11  -3.125  13.229   1.027
   72   2HG   ARG  11          2HG       ARG  11  -3.690  12.583  -0.515
   73   1HD   ARG  11          1HD       ARG  11  -4.599  14.959   0.568
   74   2HD   ARG  11          2HD       ARG  11  -5.820  13.871   1.223
   75    HE   ARG  11           HE       ARG  11  -6.285  13.135  -1.226
   76   1HH1  ARG  11          1HH1      ARG  11  -6.749  15.953  -3.273
   77   2HH1  ARG  11          2HH1      ARG  11  -7.660  14.591  -2.448
   78   1HH2  ARG  11          1HH2      ARG  11  -4.043  15.724  -1.163
   79   2HH2  ARG  11          2HH2      ARG  11  -4.814  16.513  -2.631
   80    H    ALA  12           H        ALA  12  -6.478  12.166   3.677
   81    HA   ALA  12           HA       ALA  12  -6.347  15.072   3.821
   82   1HB   ALA  12          1HB       ALA  12  -8.332  14.943   5.312
   83   2HB   ALA  12          2HB       ALA  12  -8.502  13.856   3.919
   84   3HB   ALA  12          3HB       ALA  12  -8.101  13.190   5.522
   85    H    PHE  13           H        PHE  13  -5.327  12.534   6.043
   86    HA   PHE  13           HA       PHE  13  -4.875  14.260   8.408
   87   1HB   PHE  13          1HB       PHE  13  -3.869  11.414   7.813
   88   2HB   PHE  13          2HB       PHE  13  -5.373  11.816   8.600
   89    HD1  PHE  13           HD1      PHE  13  -4.792  13.754  10.685
   90    HD2  PHE  13           HD2      PHE  13  -2.248  10.573   9.293
   91    HE1  PHE  13           HE1      PHE  13  -3.578  13.772  12.826
   92    HE2  PHE  13           HE2      PHE  13  -1.079  10.574  11.457
   93    HZ   PHE  13           HZ       PHE  13  -1.753  12.155  13.233
   94    H    LEU  14           H        LEU  14  -2.617  12.458   6.290
   95    HA   LEU  14           HA       LEU  14  -0.172  13.837   7.221
   96   1HB   LEU  14          1HB       LEU  14   0.054  11.595   6.343
   97   2HB   LEU  14          2HB       LEU  14   0.979  12.690   5.339
   98    HG   LEU  14           HG       LEU  14  -1.795  11.572   4.589
   99   1HD1  LEU  14          1HD1      LEU  14  -1.335  12.476   2.305
  100   2HD1  LEU  14          2HD1      LEU  14  -1.354  13.783   3.503
  101   3HD1  LEU  14          3HD1      LEU  14   0.200  13.188   2.866
  102   1HD2  LEU  14          1HD2      LEU  14   0.997  10.713   3.571
  103   2HD2  LEU  14          2HD2      LEU  14  -0.094   9.742   4.591
  104   3HD2  LEU  14          3HD2      LEU  14  -0.564  10.139   2.931
  105    H    SER  15           H        SER  15   1.263  14.881   5.459
  106    HA   SER  15           HA       SER  15  -0.256  17.292   4.415
  107   1HB   SER  15          1HB       SER  15   2.311  18.061   4.091
  108   2HB   SER  15          2HB       SER  15   2.600  16.786   5.278
  109    HG   SER  15           HG       SER  15   0.472  18.554   5.711
  110    H    GLU  16           H        GLU  16   1.208  18.250   2.442
  111    HA   GLU  16           HA       GLU  16   0.649  16.402   0.131
  112   1HB   GLU  16          1HB       GLU  16   1.640  18.667  -1.067
  113   2HB   GLU  16          2HB       GLU  16   1.082  19.356   0.444
  114   1HG   GLU  16          1HG       GLU  16  -1.223  18.172  -0.050
  115   2HG   GLU  16          2HG       GLU  16  -0.798  19.612  -0.959
  116    H    GLU  17           H        GLU  17   3.356  17.885   1.806
  117    HA   GLU  17           HA       GLU  17   5.434  17.160  -0.228
  118   1HB   GLU  17          1HB       GLU  17   6.103  17.996   2.624
  119   2HB   GLU  17          2HB       GLU  17   7.078  18.153   1.176
  120   1HG   GLU  17          1HG       GLU  17   4.455  19.659   1.107
  121   2HG   GLU  17          2HG       GLU  17   6.031  20.126   0.492
  122    H    MET  18           H        MET  18   4.162  15.877   2.796
  123    HA   MET  18           HA       MET  18   6.188  13.847   3.374
  124   1HB   MET  18          1HB       MET  18   3.240  14.043   4.198
  125   2HB   MET  18          2HB       MET  18   4.657  14.486   5.134
  126   1HG   MET  18          1HG       MET  18   3.380  11.808   4.805
  127   2HG   MET  18          2HG       MET  18   5.141  11.753   4.625
  128   1HE   MET  18          1HE       MET  18   5.122  10.207   7.342
  129   2HE   MET  18          2HE       MET  18   6.342  11.003   6.305
  130   3HE   MET  18          3HE       MET  18   6.278  11.377   8.052
  131    H    ILE  19           H        ILE  19   3.305  13.910   1.346
  132    HA   ILE  19           HA       ILE  19   3.034  11.071   0.715
  133    HB   ILE  19           HB       ILE  19   2.249  13.482  -1.002
  134   1HG1  ILE  19          1HG1      ILE  19   1.115  12.840   1.430
  135   2HG1  ILE  19          2HG1      ILE  19   0.253  13.621   0.123
  136   1HG2  ILE  19          1HG2      ILE  19   0.791  11.918  -2.306
  137   2HG2  ILE  19          2HG2      ILE  19   2.480  11.434  -2.444
  138   3HG2  ILE  19          3HG2      ILE  19   1.394  10.532  -1.363
  139   1HD1  ILE  19          1HD1      ILE  19   0.127  10.606   0.714
  140   2HD1  ILE  19          2HD1      ILE  19  -1.141  11.821   0.975
  141   3HD1  ILE  19          3HD1      ILE  19  -0.648  11.403  -0.683
  142    H    ALA  20           H        ALA  20   4.928  13.704  -0.748
  143    HA   ALA  20           HA       ALA  20   5.966  12.385  -3.093
  144   1HB   ALA  20          1HB       ALA  20   7.756  14.336  -1.615
  145   2HB   ALA  20          2HB       ALA  20   7.372  14.229  -3.344
  146   3HB   ALA  20          3HB       ALA  20   6.182  14.917  -2.209
  147    H    GLU  21           H        GLU  21   6.962  12.254   0.284
  148    HA   GLU  21           HA       GLU  21   9.608  10.993  -0.122
  149   1HB   GLU  21          1HB       GLU  21   9.406  10.485   2.414
  150   2HB   GLU  21          2HB       GLU  21   7.884  11.352   2.376
  151   1HG   GLU  21          1HG       GLU  21   8.921  13.463   1.984
  152   2HG   GLU  21          2HG       GLU  21  10.355  12.757   1.258
  153    H    PHE  22           H        PHE  22   6.328   9.862   0.501
  154    HA   PHE  22           HA       PHE  22   6.911   7.031   1.092
  155   1HB   PHE  22          1HB       PHE  22   4.379   8.494   0.191
  156   2HB   PHE  22          2HB       PHE  22   4.402   6.751   0.264
  157    HD1  PHE  22           HD1      PHE  22   2.771   8.884   1.972
  158    HD2  PHE  22           HD2      PHE  22   6.319   6.590   2.800
  159    HE1  PHE  22           HE1      PHE  22   2.312   9.025   4.384
  160    HE2  PHE  22           HE2      PHE  22   5.825   6.716   5.207
  161    HZ   PHE  22           HZ       PHE  22   3.835   7.946   6.005
  162    H    LYS  23           H        LYS  23   6.381   8.937  -1.820
  163    HA   LYS  23           HA       LYS  23   5.997   6.890  -3.827
  164   1HB   LYS  23          1HB       LYS  23   6.893   8.536  -5.501
  165   2HB   LYS  23          2HB       LYS  23   7.471   9.569  -4.211
  166   1HG   LYS  23          1HG       LYS  23   4.534   8.882  -4.816
  167   2HG   LYS  23          2HG       LYS  23   5.032   9.801  -3.409
  168   1HD   LYS  23          1HD       LYS  23   5.039  11.740  -4.623
  169   2HD   LYS  23          2HD       LYS  23   6.253  11.073  -5.703
  170   1HE   LYS  23          1HE       LYS  23   3.330  10.295  -6.144
  171   2HE   LYS  23          2HE       LYS  23   3.897  11.873  -6.695
  172   1HZ   LYS  23          1HZ       LYS  23   4.045   9.929  -8.308
  173   2HZ   LYS  23          2HZ       LYS  23   5.408  10.854  -8.172
  174   3HZ   LYS  23          3HZ       LYS  23   5.334   9.377  -7.433
  175    H    ALA  24           H        ALA  24   8.990   8.368  -2.566
  176    HA   ALA  24           HA       ALA  24  10.977   7.218  -4.270
  177   1HB   ALA  24          1HB       ALA  24  12.597   7.583  -2.418
  178   2HB   ALA  24          2HB       ALA  24  11.502   8.966  -2.591
  179   3HB   ALA  24          3HB       ALA  24  11.269   7.810  -1.256
  180    H    ALA  25           H        ALA  25   9.545   5.869  -1.294
  181    HA   ALA  25           HA       ALA  25  11.231   3.430  -1.198
  182   1HB   ALA  25          1HB       ALA  25   9.731   2.722   0.657
  183   2HB   ALA  25          2HB       ALA  25  10.270   4.399   0.870
  184   3HB   ALA  25          3HB       ALA  25   8.613   4.062   0.307
  185    H    PHE  26           H        PHE  26   8.026   4.257  -2.428
  186    HA   PHE  26           HA       PHE  26   6.975   1.602  -2.972
  187   1HB   PHE  26          1HB       PHE  26   5.685   3.825  -2.977
  188   2HB   PHE  26          2HB       PHE  26   6.320   4.149  -4.569
  189    HD1  PHE  26           HD1      PHE  26   5.826   0.586  -4.228
  190    HD2  PHE  26           HD2      PHE  26   3.646   4.238  -4.869
  191    HE1  PHE  26           HE1      PHE  26   4.002  -0.678  -5.294
  192    HE2  PHE  26           HE2      PHE  26   1.821   2.955  -5.910
  193    HZ   PHE  26           HZ       PHE  26   1.979   0.497  -6.094
  194    H    ASP  27           H        ASP  27   9.165   3.715  -4.745
  195    HA   ASP  27           HA       ASP  27   9.049   2.313  -7.343
  196   1HB   ASP  27          1HB       ASP  27  10.828   4.507  -6.222
  197   2HB   ASP  27          2HB       ASP  27   9.701   4.555  -7.558
  198    H    MET  28           H        MET  28  10.926   1.952  -4.415
  199    HA   MET  28           HA       MET  28  13.311   0.626  -5.218
  200   1HB   MET  28          1HB       MET  28  11.647   0.449  -2.711
  201   2HB   MET  28          2HB       MET  28  12.761  -0.878  -2.983
  202   1HG   MET  28          1HG       MET  28  13.634   2.082  -2.986
  203   2HG   MET  28          2HG       MET  28  13.715   1.013  -1.576
  204   1HE   MET  28          1HE       MET  28  17.181  -0.054  -1.748
  205   2HE   MET  28          2HE       MET  28  16.834   1.694  -1.898
  206   3HE   MET  28          3HE       MET  28  15.784   0.662  -0.885
  207    H    PHE  29           H        PHE  29  10.026  -0.639  -5.049
  208    HA   PHE  29           HA       PHE  29  10.879  -3.430  -5.940
  209   1HB   PHE  29          1HB       PHE  29   8.002  -2.513  -5.338
  210   2HB   PHE  29          2HB       PHE  29   8.576  -4.145  -5.543
  211    HD1  PHE  29           HD1      PHE  29   9.576  -5.410  -3.722
  212    HD2  PHE  29           HD2      PHE  29   8.743  -1.220  -3.185
  213    HE1  PHE  29           HE1      PHE  29   9.921  -5.639  -1.296
  214    HE2  PHE  29           HE2      PHE  29   9.099  -1.472  -0.764
  215    HZ   PHE  29           HZ       PHE  29   9.687  -3.674   0.184
  216    H    ASP  30           H        ASP  30   8.877  -0.659  -6.922
  217    HA   ASP  30           HA       ASP  30   8.417  -1.832  -9.682
  218   1HB   ASP  30          1HB       ASP  30   6.566  -0.638  -8.237
  219   2HB   ASP  30          2HB       ASP  30   7.314   0.858  -8.746
  220    H    ALA  31           H        ALA  31  10.341  -1.699 -10.690
  221    HA   ALA  31           HA       ALA  31  12.190   0.618 -10.596
  222   1HB   ALA  31          1HB       ALA  31  13.505  -0.650 -12.300
  223   2HB   ALA  31          2HB       ALA  31  13.035  -1.682 -10.935
  224   3HB   ALA  31          3HB       ALA  31  12.181  -1.823 -12.494
  225    H    ASP  32           H        ASP  32   9.560  -0.420 -12.659
  226    HA   ASP  32           HA       ASP  32  10.240   1.269 -15.023
  227   1HB   ASP  32          1HB       ASP  32   7.394   0.282 -14.645
  228   2HB   ASP  32          2HB       ASP  32   8.657  -0.904 -14.881
  229    H    GLY  33           H        GLY  33   7.843   1.465 -12.381
  230   1HA   GLY  33          1HA       GLY  33   7.485   3.590 -11.073
  231   2HA   GLY  33          2HA       GLY  33   8.008   4.506 -12.489
  232    H    GLY  34           H        GLY  34   5.681   1.821 -12.424
  233   1HA   GLY  34          1HA       GLY  34   3.440   1.715 -13.433
  234   2HA   GLY  34          2HA       GLY  34   3.597   3.417 -13.879
  235    H    GLY  35           H        GLY  35   3.251   1.329 -11.015
  236   1HA   GLY  35          1HA       GLY  35   2.629   2.948  -8.839
  237   2HA   GLY  35          2HA       GLY  35   1.181   3.198  -9.819
  238    H    ASP  36           H        ASP  36   3.163   0.284  -9.315
  239    HA   ASP  36           HA       ASP  36   1.178  -1.052  -7.537
  240   1HB   ASP  36          1HB       ASP  36   1.162  -3.096  -9.377
  241   2HB   ASP  36          2HB       ASP  36   1.170  -1.732 -10.471
  242    H    ILE  37           H        ILE  37   2.063  -2.772  -6.486
  243    HA   ILE  37           HA       ILE  37   4.833  -3.821  -7.233
  244    HB   ILE  37           HB       ILE  37   5.606  -3.593  -4.850
  245   1HG1  ILE  37          1HG1      ILE  37   3.075  -1.880  -4.566
  246   2HG1  ILE  37          2HG1      ILE  37   4.510  -1.449  -3.660
  247   1HG2  ILE  37          1HG2      ILE  37   6.446  -1.260  -5.144
  248   2HG2  ILE  37          2HG2      ILE  37   6.454  -2.110  -6.695
  249   3HG2  ILE  37          3HG2      ILE  37   5.180  -0.917  -6.348
  250   1HD1  ILE  37          1HD1      ILE  37   4.557  -3.618  -2.466
  251   2HD1  ILE  37          2HD1      ILE  37   2.965  -2.846  -2.301
  252   3HD1  ILE  37          3HD1      ILE  37   3.174  -4.207  -3.427
  253    H    SER  38           H        SER  38   5.288  -5.528  -5.283
  254    HA   SER  38           HA       SER  38   3.053  -7.547  -5.390
  255   1HB   SER  38          1HB       SER  38   5.709  -7.908  -5.587
  256   2HB   SER  38          2HB       SER  38   5.599  -8.067  -3.832
  257    HG   SER  38           HG       SER  38   3.629  -9.462  -4.570
  258    H    THR  39           H        THR  39   1.860  -8.218  -3.706
  259    HA   THR  39           HA       THR  39   1.465  -6.411  -1.367
  260    HB   THR  39           HB       THR  39  -0.357  -7.753  -2.686
  261    HG1  THR  39           HG1      THR  39  -1.413  -6.868  -1.199
  262   1HG2  THR  39          1HG2      THR  39  -1.156  -9.824  -1.636
  263   2HG2  THR  39          2HG2      THR  39   0.502 -10.089  -2.224
  264   3HG2  THR  39          3HG2      THR  39   0.199  -9.837  -0.484
  265    H    LYS  40           H        LYS  40   3.025  -9.488  -2.016
  266    HA   LYS  40           HA       LYS  40   3.183 -10.736   0.549
  267   1HB   LYS  40          1HB       LYS  40   4.362 -11.189  -1.976
  268   2HB   LYS  40          2HB       LYS  40   5.758 -10.919  -0.955
  269   1HG   LYS  40          1HG       LYS  40   5.214 -12.800   0.478
  270   2HG   LYS  40          2HG       LYS  40   3.577 -12.916  -0.138
  271   1HD   LYS  40          1HD       LYS  40   4.430 -14.651  -1.401
  272   2HD   LYS  40          2HD       LYS  40   4.909 -13.354  -2.484
  273   1HE   LYS  40          1HE       LYS  40   6.713 -14.748  -0.420
  274   2HE   LYS  40          2HE       LYS  40   7.204 -13.274  -1.256
  275   1HZ   LYS  40          1HZ       LYS  40   6.777 -15.970  -2.369
  276   2HZ   LYS  40          2HZ       LYS  40   6.585 -14.669  -3.369
  277   3HZ   LYS  40          3HZ       LYS  40   8.032 -14.923  -2.612
  278    H    GLU  41           H        GLU  41   5.346  -8.274  -0.858
  279    HA   GLU  41           HA       GLU  41   6.898  -8.048   1.747
  280   1HB   GLU  41          1HB       GLU  41   7.795  -8.188  -0.856
  281   2HB   GLU  41          2HB       GLU  41   7.798  -6.449  -0.625
  282   1HG   GLU  41          1HG       GLU  41   9.046  -7.784   1.709
  283   2HG   GLU  41          2HG       GLU  41   9.682  -6.514   0.678
  284    H    LEU  42           H        LEU  42   4.553  -6.345  -0.178
  285    HA   LEU  42           HA       LEU  42   4.854  -3.624   0.262
  286   1HB   LEU  42          1HB       LEU  42   2.570  -5.398  -0.211
  287   2HB   LEU  42          2HB       LEU  42   2.877  -3.784  -0.819
  288    HG   LEU  42           HG       LEU  42   2.005  -2.934   1.535
  289   1HD1  LEU  42          1HD1      LEU  42  -0.367  -2.968   0.713
  290   2HD1  LEU  42          2HD1      LEU  42   0.758  -2.556  -0.590
  291   3HD1  LEU  42          3HD1      LEU  42   0.059  -4.192  -0.511
  292   1HD2  LEU  42          1HD2      LEU  42   0.784  -5.777   1.551
  293   2HD2  LEU  42          2HD2      LEU  42   1.977  -5.144   2.712
  294   3HD2  LEU  42          3HD2      LEU  42   0.350  -4.444   2.652
  295    H    GLY  43           H        GLY  43   3.999  -6.029   2.687
  296   1HA   GLY  43          1HA       GLY  43   3.655  -5.852   5.113
  297   2HA   GLY  43          2HA       GLY  43   3.331  -4.132   4.875
  298    H    THR  44           H        THR  44   6.183  -6.199   4.198
  299    HA   THR  44           HA       THR  44   7.950  -5.364   6.216
  300    HB   THR  44           HB       THR  44   8.525  -6.316   3.397
  301    HG1  THR  44           HG1      THR  44   7.981  -7.888   4.716
  302   1HG2  THR  44          1HG2      THR  44  10.951  -6.537   3.953
  303   2HG2  THR  44          2HG2      THR  44  10.469  -4.831   3.851
  304   3HG2  THR  44          3HG2      THR  44  10.710  -5.593   5.444
  305    H    VAL  45           H        VAL  45   6.934  -3.612   3.365
  306    HA   VAL  45           HA       VAL  45   9.038  -1.461   3.573
  307    HB   VAL  45           HB       VAL  45   8.593  -1.694   1.353
  308   1HG1  VAL  45          1HG1      VAL  45   6.430   0.421   1.946
  309   2HG1  VAL  45          2HG1      VAL  45   8.164   0.749   2.055
  310   3HG1  VAL  45          3HG1      VAL  45   7.455   0.281   0.493
  311   1HG2  VAL  45          1HG2      VAL  45   6.500  -2.187   0.209
  312   2HG2  VAL  45          2HG2      VAL  45   6.579  -3.298   1.596
  313   3HG2  VAL  45          3HG2      VAL  45   5.530  -1.874   1.672
  314    H    MET  46           H        MET  46   5.637  -2.046   4.344
  315    HA   MET  46           HA       MET  46   4.913   0.659   5.238
  316   1HB   MET  46          1HB       MET  46   3.110  -0.775   6.634
  317   2HB   MET  46          2HB       MET  46   3.679  -2.091   5.621
  318   1HG   MET  46          1HG       MET  46   2.814  -1.142   3.622
  319   2HG   MET  46          2HG       MET  46   2.872   0.514   4.247
  320   1HE   MET  46          1HE       MET  46   0.819  -3.018   4.479
  321   2HE   MET  46          2HE       MET  46   1.639  -2.757   6.046
  322   3HE   MET  46          3HE       MET  46  -0.142  -2.649   5.945
  323    NH1  ARG  47           NH1      ARG  47   3.329  -6.403   9.541
  324    NH2  ARG  47           NH2      ARG  47   1.925  -5.831  11.233
  325    H    ARG  47           H        ARG  47   6.795  -1.869   6.700
  326    HA   ARG  47           HA       ARG  47   6.548  -0.627   9.504
  327   1HB   ARG  47          1HB       ARG  47   6.738  -3.476   8.546
  328   2HB   ARG  47          2HB       ARG  47   7.752  -3.080   9.926
  329   1HG   ARG  47          1HG       ARG  47   5.969  -3.374  11.277
  330   2HG   ARG  47          2HG       ARG  47   5.284  -1.882  10.630
  331   1HD   ARG  47          1HD       ARG  47   3.788  -2.991   9.188
  332   2HD   ARG  47          2HD       ARG  47   4.846  -4.381   8.954
  333    HE   ARG  47           HE       ARG  47   3.688  -4.125  11.729
  334   1HH1  ARG  47          1HH1      ARG  47   2.717  -7.217   9.414
  335   2HH1  ARG  47          2HH1      ARG  47   4.166  -6.173   8.995
  336   1HH2  ARG  47          1HH2      ARG  47   1.660  -5.139  11.943
  337   2HH2  ARG  47          2HH2      ARG  47   1.441  -6.711  11.022
  338    H    MET  48           H        MET  48   8.696  -1.553   6.898
  339    HA   MET  48           HA       MET  48  11.239  -1.715   8.266
  340   1HB   MET  48          1HB       MET  48  10.468  -1.163   5.392
  341   2HB   MET  48          2HB       MET  48  11.457  -2.445   6.068
  342   1HG   MET  48          1HG       MET  48  13.284  -0.591   6.508
  343   2HG   MET  48          2HG       MET  48  12.311   0.435   5.442
  344   1HE   MET  48          1HE       MET  48  15.188  -0.046   3.699
  345   2HE   MET  48          2HE       MET  48  15.221  -0.597   5.400
  346   3HE   MET  48          3HE       MET  48  15.664  -1.729   4.089
  347    H    LEU  49           H        LEU  49   9.235   0.990   7.636
  348    HA   LEU  49           HA       LEU  49  11.374   2.977   8.570
  349   1HB   LEU  49          1HB       LEU  49   8.939   4.369   7.963
  350   2HB   LEU  49          2HB       LEU  49  10.484   4.453   7.145
  351    HG   LEU  49           HG       LEU  49   9.524   2.176   5.942
  352   1HD1  LEU  49          1HD1      LEU  49   8.742   5.016   5.026
  353   2HD1  LEU  49          2HD1      LEU  49  10.357   4.313   4.824
  354   3HD1  LEU  49          3HD1      LEU  49   8.962   3.581   3.993
  355   1HD2  LEU  49          1HD2      LEU  49   7.111   2.319   5.487
  356   2HD2  LEU  49          2HD2      LEU  49   7.315   2.327   7.256
  357   3HD2  LEU  49          3HD2      LEU  49   6.965   3.839   6.405
  358    H    GLY  50           H        GLY  50   8.230   1.535   9.256
  359   1HA   GLY  50          1HA       GLY  50   6.715   1.687  11.148
  360   2HA   GLY  50          2HA       GLY  50   7.455   3.247  11.515
  361    H    GLN  51           H        GLN  51   7.981  -0.249  11.791
  362    HA   GLN  51           HA       GLN  51   9.724   0.097  14.282
  363   1HB   GLN  51          1HB       GLN  51   7.349  -1.811  14.424
  364   2HB   GLN  51          2HB       GLN  51   8.338  -1.157  15.718
  365   1HG   GLN  51          1HG       GLN  51   7.226   0.938  15.747
  366   2HG   GLN  51          2HG       GLN  51   6.653   0.802  14.097
  367   1HE2  GLN  51          1HE2      GLN  51   3.519   0.065  15.775
  368   2HE2  GLN  51          2HE2      GLN  51   4.507   1.275  14.812
  369    H    ASN  52           H        ASN  52   9.382  -2.712  14.933
  370    HA   ASN  52           HA       ASN  52  10.876  -4.009  12.613
  371   1HB   ASN  52          1HB       ASN  52  12.304  -3.108  14.606
  372   2HB   ASN  52          2HB       ASN  52  11.693  -4.461  15.533
  373   1HD2  ASN  52          1HD2      ASN  52  14.980  -5.111  13.474
  374   2HD2  ASN  52          2HD2      ASN  52  14.412  -3.688  14.483
  375    HA   PRO  53           HA       PRO  53   7.411  -6.796  14.360
  376   1HB   PRO  53          1HB       PRO  53   5.940  -7.325  12.117
  377   2HB   PRO  53          2HB       PRO  53   5.923  -5.748  12.931
  378   1HG   PRO  53          1HG       PRO  53   7.528  -6.534  10.447
  379   2HG   PRO  53          2HG       PRO  53   6.510  -5.093  10.676
  380   1HD   PRO  53          1HD       PRO  53   8.227  -3.975  11.898
  381   2HD   PRO  53          2HD       PRO  53   9.298  -5.149  11.073
  382    H    THR  54           H        THR  54   6.532  -8.982  12.834
  383    HA   THR  54           HA       THR  54   9.054 -10.673  12.416
  384    HB   THR  54           HB       THR  54   8.189 -12.491  13.514
  385    HG1  THR  54           HG1      THR  54   5.765 -11.491  12.662
  386   1HG2  THR  54          1HG2      THR  54   7.177 -11.847  15.678
  387   2HG2  THR  54          2HG2      THR  54   8.450 -10.684  15.241
  388   3HG2  THR  54          3HG2      THR  54   6.734 -10.244  15.044
  389    H    LYS  55           H        LYS  55   8.570 -12.648  11.061
  390    HA   LYS  55           HA       LYS  55   7.661 -11.685   8.381
  391   1HB   LYS  55          1HB       LYS  55   8.343 -14.052   7.631
  392   2HB   LYS  55          2HB       LYS  55   8.811 -14.395   9.283
  393   1HG   LYS  55          1HG       LYS  55  10.643 -12.841   9.226
  394   2HG   LYS  55          2HG       LYS  55  10.004 -11.972   7.845
  395   1HD   LYS  55          1HD       LYS  55  11.880 -13.229   6.999
  396   2HD   LYS  55          2HD       LYS  55  11.438 -14.662   7.913
  397   1HE   LYS  55          1HE       LYS  55   9.686 -15.297   6.409
  398   2HE   LYS  55          2HE       LYS  55   9.561 -13.692   5.688
  399   1HZ   LYS  55          1HZ       LYS  55  11.729 -15.686   5.298
  400   2HZ   LYS  55          2HZ       LYS  55  10.725 -15.034   4.160
  401   3HZ   LYS  55          3HZ       LYS  55  11.913 -14.109   4.842
  402    H    GLU  56           H        GLU  56   6.529 -13.864  10.912
  403    HA   GLU  56           HA       GLU  56   4.454 -15.304   9.401
  404   1HB   GLU  56          1HB       GLU  56   3.591 -16.077  11.547
  405   2HB   GLU  56          2HB       GLU  56   4.461 -14.835  12.425
  406   1HG   GLU  56          1HG       GLU  56   5.370 -17.373  12.257
  407   2HG   GLU  56          2HG       GLU  56   6.464 -16.008  12.404
  408    H    GLU  57           H        GLU  57   4.591 -12.261  11.158
  409    HA   GLU  57           HA       GLU  57   1.705 -11.748  11.412
  410   1HB   GLU  57          1HB       GLU  57   4.025  -9.748  11.459
  411   2HB   GLU  57          2HB       GLU  57   2.361  -9.339  11.825
  412   1HG   GLU  57          1HG       GLU  57   4.020 -11.410  13.406
  413   2HG   GLU  57          2HG       GLU  57   2.382 -10.911  13.795
  414    H    LEU  58           H        LEU  58   4.125 -11.093   8.935
  415    HA   LEU  58           HA       LEU  58   2.561  -9.279   7.201
  416   1HB   LEU  58          1HB       LEU  58   4.957  -9.337   6.898
  417   2HB   LEU  58          2HB       LEU  58   4.986 -11.076   6.693
  418    HG   LEU  58           HG       LEU  58   5.244  -9.441   4.602
  419   1HD1  LEU  58          1HD1      LEU  58   4.334 -11.229   3.085
  420   2HD1  LEU  58          2HD1      LEU  58   5.288 -11.924   4.404
  421   3HD1  LEU  58          3HD1      LEU  58   3.510 -11.996   4.466
  422   1HD2  LEU  58          1HD2      LEU  58   2.162  -9.676   4.721
  423   2HD2  LEU  58          2HD2      LEU  58   3.100  -8.175   4.917
  424   3HD2  LEU  58          3HD2      LEU  58   3.113  -9.026   3.361
  425    H    ASP  59           H        ASP  59   2.890 -12.768   7.566
  426    HA   ASP  59           HA       ASP  59   1.364 -13.694   5.268
  427   1HB   ASP  59          1HB       ASP  59   1.446 -15.127   7.980
  428   2HB   ASP  59          2HB       ASP  59   1.049 -15.825   6.427
  429    H    ALA  60           H        ALA  60   0.392 -12.665   8.521
  430    HA   ALA  60           HA       ALA  60  -2.438 -13.313   8.435
  431   1HB   ALA  60          1HB       ALA  60  -2.694 -11.680  10.297
  432   2HB   ALA  60          2HB       ALA  60  -1.283 -12.727  10.543
  433   3HB   ALA  60          3HB       ALA  60  -1.058 -11.043  10.006
  434    H    ILE  61           H        ILE  61  -0.934 -10.083   8.027
  435    HA   ILE  61           HA       ILE  61  -3.117  -8.565   7.097
  436    HB   ILE  61           HB       ILE  61  -0.180  -8.265   6.324
  437   1HG1  ILE  61          1HG1      ILE  61  -1.141  -7.828   8.800
  438   2HG1  ILE  61          2HG1      ILE  61  -1.769  -6.347   8.111
  439   1HG2  ILE  61          1HG2      ILE  61  -0.715  -5.981   5.434
  440   2HG2  ILE  61          2HG2      ILE  61  -1.543  -7.224   4.497
  441   3HG2  ILE  61          3HG2      ILE  61  -2.454  -6.269   5.690
  442   1HD1  ILE  61          1HD1      ILE  61   0.490  -5.533   7.493
  443   2HD1  ILE  61          2HD1      ILE  61   0.428  -5.972   9.213
  444   3HD1  ILE  61          3HD1      ILE  61   1.219  -7.063   8.052
  445    H    ILE  62           H        ILE  62  -1.046 -10.857   5.402
  446    HA   ILE  62           HA       ILE  62  -1.690 -10.295   2.619
  447    HB   ILE  62           HB       ILE  62  -0.066 -12.161   3.911
  448   1HG1  ILE  62          1HG1      ILE  62   0.082 -10.927   1.530
  449   2HG1  ILE  62          2HG1      ILE  62   1.007 -12.377   1.854
  450   1HG2  ILE  62          1HG2      ILE  62  -0.665 -14.422   3.006
  451   2HG2  ILE  62          2HG2      ILE  62  -1.926 -13.841   4.091
  452   3HG2  ILE  62          3HG2      ILE  62  -2.181 -13.772   2.333
  453   1HD1  ILE  62          1HD1      ILE  62  -1.613 -12.325   0.244
  454   2HD1  ILE  62          2HD1      ILE  62   0.035 -12.583  -0.365
  455   3HD1  ILE  62          3HD1      ILE  62  -0.718 -13.805   0.686
  456    H    GLU  63           H        GLU  63  -3.155 -12.602   4.925
  457    HA   GLU  63           HA       GLU  63  -5.166 -13.798   3.307
  458   1HB   GLU  63          1HB       GLU  63  -5.262 -13.146   6.292
  459   2HB   GLU  63          2HB       GLU  63  -4.736 -14.636   5.534
  460   1HG   GLU  63          1HG       GLU  63  -7.222 -14.288   6.638
  461   2HG   GLU  63          2HG       GLU  63  -7.607 -13.780   5.002
  462    H    GLU  64           H        GLU  64  -5.209 -10.665   4.947
  463    HA   GLU  64           HA       GLU  64  -8.056 -10.036   4.476
  464   1HB   GLU  64          1HB       GLU  64  -7.130  -8.932   6.325
  465   2HB   GLU  64          2HB       GLU  64  -5.681  -8.435   5.474
  466   1HG   GLU  64          1HG       GLU  64  -8.286  -7.254   4.452
  467   2HG   GLU  64          2HG       GLU  64  -7.787  -6.758   6.061
  468    H    VAL  65           H        VAL  65  -5.011  -9.243   2.839
  469    HA   VAL  65           HA       VAL  65  -6.006  -7.238   0.961
  470    HB   VAL  65           HB       VAL  65  -3.531  -9.020   0.839
  471   1HG1  VAL  65          1HG1      VAL  65  -2.703  -7.658  -1.089
  472   2HG1  VAL  65          2HG1      VAL  65  -4.180  -8.537  -1.526
  473   3HG1  VAL  65          3HG1      VAL  65  -4.257  -6.792  -1.182
  474   1HG2  VAL  65          1HG2      VAL  65  -3.815  -5.982   1.373
  475   2HG2  VAL  65          2HG2      VAL  65  -3.420  -7.230   2.579
  476   3HG2  VAL  65          3HG2      VAL  65  -2.282  -6.883   1.270
  477    H    ASP  66           H        ASP  66  -5.852 -10.770   0.917
  478    HA   ASP  66           HA       ASP  66  -6.906 -10.916  -1.933
  479   1HB   ASP  66          1HB       ASP  66  -4.916 -12.388  -0.982
  480   2HB   ASP  66          2HB       ASP  66  -6.178 -13.371  -0.276
  481    H    GLU  67           H        GLU  67  -8.625  -9.807  -0.127
  482    HA   GLU  67           HA       GLU  67 -10.716 -11.829   0.682
  483   1HB   GLU  67          1HB       GLU  67 -10.575  -8.790   0.908
  484   2HB   GLU  67          2HB       GLU  67 -12.079  -9.648   1.175
  485   1HG   GLU  67          1HG       GLU  67  -9.553 -10.445   2.735
  486   2HG   GLU  67          2HG       GLU  67 -10.502  -9.052   3.226
  487    H    ASP  68           H        ASP  68 -10.697  -8.927  -1.419
  488    HA   ASP  68           HA       ASP  68 -11.862 -10.429  -3.747
  489   1HB   ASP  68          1HB       ASP  68 -13.563  -8.124  -2.655
  490   2HB   ASP  68          2HB       ASP  68 -13.857  -9.790  -2.215
  491    H    GLY  69           H        GLY  69 -10.450  -9.796  -5.200
  492   1HA   GLY  69          1HA       GLY  69 -10.365  -7.335  -6.588
  493   2HA   GLY  69          2HA       GLY  69  -9.217  -7.049  -5.276
  494    H    SER  70           H        SER  70  -7.854  -6.809  -7.259
  495    HA   SER  70           HA       SER  70  -6.944  -9.172  -8.813
  496   1HB   SER  70          1HB       SER  70  -6.871  -6.695  -9.547
  497   2HB   SER  70          2HB       SER  70  -5.487  -7.713  -9.953
  498    HG   SER  70           HG       SER  70  -5.191  -5.546  -8.926
  499    H    GLY  71           H        GLY  71  -4.356  -9.350  -8.836
  500   1HA   GLY  71          1HA       GLY  71  -2.842 -10.904  -7.563
  501   2HA   GLY  71          2HA       GLY  71  -3.587 -10.343  -6.062
  502    H    THR  72           H        THR  72  -3.496  -7.526  -6.802
  503    HA   THR  72           HA       THR  72  -0.695  -6.866  -5.975
  504    HB   THR  72           HB       THR  72  -0.552  -5.124  -7.963
  505    HG1  THR  72           HG1      THR  72  -2.002  -7.250  -9.119
  506   1HG2  THR  72          1HG2      THR  72   1.099  -6.376  -8.999
  507   2HG2  THR  72          2HG2      THR  72   0.965  -7.342  -7.513
  508   3HG2  THR  72          3HG2      THR  72   0.153  -7.881  -9.006
  509    H    ILE  73           H        ILE  73  -0.485  -4.426  -5.754
  510    HA   ILE  73           HA       ILE  73  -3.087  -3.082  -5.047
  511    HB   ILE  73           HB       ILE  73  -2.103  -4.431  -3.032
  512   1HG1  ILE  73          1HG1      ILE  73  -3.003  -1.555  -2.465
  513   2HG1  ILE  73          2HG1      ILE  73  -4.078  -2.757  -3.155
  514   1HG2  ILE  73          1HG2      ILE  73  -0.589  -3.247  -1.485
  515   2HG2  ILE  73          2HG2      ILE  73   0.234  -3.462  -3.037
  516   3HG2  ILE  73          3HG2      ILE  73  -0.433  -1.870  -2.600
  517   1HD1  ILE  73          1HD1      ILE  73  -4.297  -3.977  -1.166
  518   2HD1  ILE  73          2HD1      ILE  73  -2.654  -3.587  -0.614
  519   3HD1  ILE  73          3HD1      ILE  73  -3.944  -2.368  -0.478
  520    H    ASP  74           H        ASP  74  -2.914  -0.807  -4.821
  521    HA   ASP  74           HA       ASP  74  -0.575   0.374  -6.406
  522   1HB   ASP  74          1HB       ASP  74  -1.929   1.681  -7.592
  523   2HB   ASP  74          2HB       ASP  74  -2.828   2.180  -6.190
  524    H    PHE  75           H        PHE  75  -0.964   3.012  -5.885
  525    HA   PHE  75           HA       PHE  75   0.490   3.223  -3.290
  526   1HB   PHE  75          1HB       PHE  75  -0.174   5.581  -5.132
  527   2HB   PHE  75          2HB       PHE  75   1.064   4.427  -5.561
  528    HD1  PHE  75           HD1      PHE  75   3.056   5.795  -5.357
  529    HD2  PHE  75           HD2      PHE  75   0.322   5.603  -2.039
  530    HE1  PHE  75           HE1      PHE  75   4.537   7.253  -4.038
  531    HE2  PHE  75           HE2      PHE  75   1.814   7.068  -0.739
  532    HZ   PHE  75           HZ       PHE  75   3.932   7.871  -1.722
  533    H    GLU  76           H        GLU  76  -2.608   4.157  -4.676
  534    HA   GLU  76           HA       GLU  76  -3.474   6.101  -2.645
  535   1HB   GLU  76          1HB       GLU  76  -5.048   4.504  -4.720
  536   2HB   GLU  76          2HB       GLU  76  -5.838   5.575  -3.581
  537   1HG   GLU  76          1HG       GLU  76  -3.601   6.560  -5.460
  538   2HG   GLU  76          2HG       GLU  76  -5.285   6.506  -5.953
  539    H    GLU  77           H        GLU  77  -4.189   2.650  -3.178
  540    HA   GLU  77           HA       GLU  77  -5.666   2.161  -0.658
  541   1HB   GLU  77          1HB       GLU  77  -5.013  -0.311  -1.121
  542   2HB   GLU  77          2HB       GLU  77  -4.286   0.259  -2.610
  543   1HG   GLU  77          1HG       GLU  77  -7.247   0.775  -1.913
  544   2HG   GLU  77          2HG       GLU  77  -6.470   1.062  -3.460
  545    H    PHE  78           H        PHE  78  -2.295   2.239  -1.632
  546    HA   PHE  78           HA       PHE  78  -1.091   0.777   0.585
  547   1HB   PHE  78          1HB       PHE  78   0.363   1.000  -1.219
  548   2HB   PHE  78          2HB       PHE  78  -0.058   2.661  -1.544
  549    HD1  PHE  78           HD1      PHE  78   0.707   4.377   0.523
  550    HD2  PHE  78           HD2      PHE  78   2.529   0.591  -0.404
  551    HE1  PHE  78           HE1      PHE  78   2.697   5.002   1.831
  552    HE2  PHE  78           HE2      PHE  78   4.546   1.271   0.829
  553    HZ   PHE  78           HZ       PHE  78   4.637   3.473   1.945
  554    H    LEU  79           H        LEU  79  -2.096   4.125   0.166
  555    HA   LEU  79           HA       LEU  79  -0.885   5.180   2.704
  556   1HB   LEU  79          1HB       LEU  79  -3.017   6.418   0.864
  557   2HB   LEU  79          2HB       LEU  79  -2.294   7.223   2.239
  558    HG   LEU  79           HG       LEU  79  -0.921   6.424  -0.390
  559   1HD1  LEU  79          1HD1      LEU  79   0.523   7.583   2.078
  560   2HD1  LEU  79          2HD1      LEU  79   0.623   5.887   1.569
  561   3HD1  LEU  79          3HD1      LEU  79   1.254   7.170   0.506
  562   1HD2  LEU  79          1HD2      LEU  79  -0.508   8.831  -0.668
  563   2HD2  LEU  79          2HD2      LEU  79  -2.234   8.637  -0.270
  564   3HD2  LEU  79          3HD2      LEU  79  -1.101   9.187   0.974
  565    H    VAL  80           H        VAL  80  -3.937   3.854   1.551
  566    HA   VAL  80           HA       VAL  80  -5.670   4.600   3.777
  567    HB   VAL  80           HB       VAL  80  -5.922   2.357   1.724
  568   1HG1  VAL  80          1HG1      VAL  80  -7.638   4.897   2.040
  569   2HG1  VAL  80          2HG1      VAL  80  -6.220   4.816   0.985
  570   3HG1  VAL  80          3HG1      VAL  80  -7.612   3.755   0.671
  571   1HG2  VAL  80          1HG2      VAL  80  -8.216   1.890   2.448
  572   2HG2  VAL  80          2HG2      VAL  80  -7.169   1.669   3.869
  573   3HG2  VAL  80          3HG2      VAL  80  -8.145   3.138   3.716
  574    H    MET  81           H        MET  81  -3.446   1.924   3.214
  575    HA   MET  81           HA       MET  81  -4.282   0.273   5.548
  576   1HB   MET  81          1HB       MET  81  -1.618  -0.041   4.070
  577   2HB   MET  81          2HB       MET  81  -2.514  -1.247   4.974
  578   1HG   MET  81          1HG       MET  81  -2.763  -0.500   2.125
  579   2HG   MET  81          2HG       MET  81  -4.341  -0.445   2.926
  580   1HE   MET  81          1HE       MET  81  -1.498  -3.912   3.828
  581   2HE   MET  81          2HE       MET  81  -1.293  -3.458   2.110
  582   3HE   MET  81          3HE       MET  81  -1.049  -2.234   3.390
  583    H    MET  82           H        MET  82  -1.726   2.608   4.813
  584    HA   MET  82           HA       MET  82   0.010   2.211   7.113
  585   1HB   MET  82          1HB       MET  82  -0.281   4.300   5.010
  586   2HB   MET  82          2HB       MET  82   0.261   4.954   6.545
  587   1HG   MET  82          1HG       MET  82   1.750   2.467   5.779
  588   2HG   MET  82          2HG       MET  82   1.912   3.785   4.607
  589   1HE   MET  82          1HE       MET  82   3.772   3.111   8.571
  590   2HE   MET  82          2HE       MET  82   3.172   2.061   7.253
  591   3HE   MET  82          3HE       MET  82   4.722   2.933   7.062
  592    H    VAL  83           H        VAL  83  -2.403   4.804   6.578
  593    HA   VAL  83           HA       VAL  83  -2.492   5.994   9.168
  594    HB   VAL  83           HB       VAL  83  -4.764   5.682   7.149
  595   1HG1  VAL  83          1HG1      VAL  83  -3.142   8.205   7.861
  596   2HG1  VAL  83          2HG1      VAL  83  -2.721   7.130   6.520
  597   3HG1  VAL  83          3HG1      VAL  83  -4.282   7.983   6.508
  598   1HG2  VAL  83          1HG2      VAL  83  -6.105   7.337   8.342
  599   2HG2  VAL  83          2HG2      VAL  83  -5.713   6.065   9.523
  600   3HG2  VAL  83          3HG2      VAL  83  -4.835   7.601   9.564
  601    NH1  ARG  84           NH1      ARG  84  -9.897  -0.775   8.541
  602    NH2  ARG  84           NH2      ARG  84  -9.943   1.215   7.446
  603    H    ARG  84           H        ARG  84  -4.106   3.074   7.965
  604    HA   ARG  84           HA       ARG  84  -5.907   2.384  10.136
  605   1HB   ARG  84          1HB       ARG  84  -5.354   1.166   7.785
  606   2HB   ARG  84          2HB       ARG  84  -4.287   0.198   8.793
  607   1HG   ARG  84          1HG       ARG  84  -6.042  -0.743  10.076
  608   2HG   ARG  84          2HG       ARG  84  -7.169   0.568   9.723
  609   1HD   ARG  84          1HD       ARG  84  -6.181  -1.193   7.417
  610   2HD   ARG  84          2HD       ARG  84  -7.427  -1.814   8.497
  611    HE   ARG  84           HE       ARG  84  -7.802   0.303   6.449
  612   1HH1  ARG  84          1HH1      ARG  84 -10.926   1.261   7.734
  613   2HH1  ARG  84          2HH1      ARG  84  -9.424   1.921   6.912
  614   1HH2  ARG  84          1HH2      ARG  84  -9.333  -1.559   8.886
  615   2HH2  ARG  84          2HH2      ARG  84 -10.897  -0.615   8.710
  616    H    GLN  85           H        GLN  85  -2.519   1.318   9.632
  617    HA   GLN  85           HA       GLN  85  -2.184  -0.211  12.072
  618   1HB   GLN  85          1HB       GLN  85  -0.617  -0.017   9.950
  619   2HB   GLN  85          2HB       GLN  85   0.127   1.325  10.801
  620   1HG   GLN  85          1HG       GLN  85   1.113  -1.139  11.022
  621   2HG   GLN  85          2HG       GLN  85  -0.144  -1.376  12.218
  622   1HE2  GLN  85          1HE2      GLN  85   3.146   0.951  13.137
  623   2HE2  GLN  85          2HE2      GLN  85   2.878   0.217  11.477
  624    H    MET  86           H        MET  86  -1.139   3.132  11.357
  625    HA   MET  86           HA       MET  86   0.044   3.897  13.828
  626   1HB   MET  86          1HB       MET  86  -0.825   5.298  11.464
  627   2HB   MET  86          2HB       MET  86  -1.495   6.175  12.828
  628   1HG   MET  86          1HG       MET  86   1.446   5.697  12.149
  629   2HG   MET  86          2HG       MET  86   0.991   6.013  13.831
  630   1HE   MET  86          1HE       MET  86   0.556   8.670  14.743
  631   2HE   MET  86          2HE       MET  86   2.145   8.020  14.241
  632   3HE   MET  86          3HE       MET  86   1.646   9.655  13.716
  633    H    LYS  87           H        LYS  87  -3.376   3.811  12.937
  634    HA   LYS  87           HA       LYS  87  -4.510   5.115  15.333
  635   1HB   LYS  87          1HB       LYS  87  -5.620   3.462  13.069
  636   2HB   LYS  87          2HB       LYS  87  -6.548   3.409  14.552
  637   1HG   LYS  87          1HG       LYS  87  -5.810   5.924  12.942
  638   2HG   LYS  87          2HG       LYS  87  -7.380   5.147  12.988
  639   1HD   LYS  87          1HD       LYS  87  -7.759   6.919  14.478
  640   2HD   LYS  87          2HD       LYS  87  -7.302   5.644  15.595
  641   1HE   LYS  87          1HE       LYS  87  -5.594   6.884  16.412
  642   2HE   LYS  87          2HE       LYS  87  -4.823   6.952  14.826
  643   1HZ   LYS  87          1HZ       LYS  87  -6.444   8.857  14.362
  644   2HZ   LYS  87          2HZ       LYS  87  -6.773   8.870  15.981
  645   3HZ   LYS  87          3HZ       LYS  87  -5.237   9.164  15.447
  646    H    GLU  88           H        GLU  88  -4.182   1.675  14.383
  647    HA   GLU  88           HA       GLU  88  -3.545  -0.235  15.721
  648   1HB   GLU  88          1HB       GLU  88  -2.622   1.639  17.379
  649   2HB   GLU  88          2HB       GLU  88  -4.033   1.230  18.333
  650   1HG   GLU  88          1HG       GLU  88  -2.155  -1.008  17.394
  651   2HG   GLU  88          2HG       GLU  88  -1.691   0.009  18.748
  652    H    ASP  89           H        ASP  89  -6.193   1.835  16.922
  653    HA   ASP  89           HA       ASP  89  -8.166  -0.436  16.618
  654   1HB   ASP  89          1HB       ASP  89  -7.199  -0.346  19.094
  655   2HB   ASP  89          2HB       ASP  89  -8.244   1.044  19.281
  656    H    ALA  90           H        ALA  90 -10.351   0.316  16.618
  657    HA   ALA  90           HA       ALA  90 -11.095   3.203  16.486
  658   1HB   ALA  90          1HB       ALA  90 -11.677   2.787  13.838
  659   2HB   ALA  90          2HB       ALA  90 -10.164   3.541  14.375
  660   3HB   ALA  90          3HB       ALA  90 -10.187   1.816  13.937
   
  Start of MODEL          32
 Raw file had  660 H/Q atoms
  Start of MODEL   32
    1   1H    ALA   1          1H        ALA   1 -17.018   0.325  10.180
    2   2H    ALA   1          2H        ALA   1 -17.811   1.240  11.347
    3   3H    ALA   1          3H        ALA   1 -17.815  -0.439  11.448
    4    HA   ALA   1           HA       ALA   1 -19.362  -0.746   9.892
    5   1HB   ALA   1          1HB       ALA   1 -20.679   0.361  11.500
    6   2HB   ALA   1          2HB       ALA   1 -19.853   1.918  11.301
    7   3HB   ALA   1          3HB       ALA   1 -21.022   1.368  10.073
    8    H    SER   2           H        SER   2 -18.704  -0.896   7.834
    9    HA   SER   2           HA       SER   2 -18.584  -0.316   5.493
   10   1HB   SER   2          1HB       SER   2 -20.423   1.412   6.348
   11   2HB   SER   2          2HB       SER   2 -19.149   2.608   6.101
   12    HG   SER   2           HG       SER   2 -19.550   0.697   4.103
   13    H    MET   3           H        MET   3 -17.090   0.665   4.055
   14    HA   MET   3           HA       MET   3 -15.012   2.611   4.922
   15   1HB   MET   3          1HB       MET   3 -14.190   0.402   5.960
   16   2HB   MET   3          2HB       MET   3 -13.058   1.360   5.027
   17   1HG   MET   3          1HG       MET   3 -12.947  -0.215   3.234
   18   2HG   MET   3          2HG       MET   3 -12.986  -1.207   4.699
   19   1HE   MET   3          1HE       MET   3 -14.974  -3.692   4.210
   20   2HE   MET   3          2HE       MET   3 -14.493  -2.564   5.513
   21   3HE   MET   3          3HE       MET   3 -16.221  -2.757   5.095
   22    H    THR   4           H        THR   4 -16.882   2.761   3.018
   23    HA   THR   4           HA       THR   4 -15.713   2.161   0.309
   24    HB   THR   4           HB       THR   4 -18.290   2.321   1.040
   25    HG1  THR   4           HG1      THR   4 -17.688   3.337  -1.478
   26   1HG2  THR   4          1HG2      THR   4 -19.415   4.330   0.156
   27   2HG2  THR   4          2HG2      THR   4 -18.376   4.800   1.520
   28   3HG2  THR   4          3HG2      THR   4 -17.865   5.142  -0.153
   29    H    ASP   5           H        ASP   5 -14.582   4.096   2.523
   30    HA   ASP   5           HA       ASP   5 -13.474   6.113   0.640
   31   1HB   ASP   5          1HB       ASP   5 -15.836   7.029   1.424
   32   2HB   ASP   5          2HB       ASP   5 -15.027   7.392   2.931
   33    H    GLN   6           H        GLN   6 -12.640   3.980   2.422
   34    HA   GLN   6           HA       GLN   6 -11.099   5.172   4.705
   35   1HB   GLN   6          1HB       GLN   6 -11.882   2.584   4.123
   36   2HB   GLN   6          2HB       GLN   6 -10.225   2.539   3.549
   37   1HG   GLN   6          1HG       GLN   6  -9.879   1.865   5.733
   38   2HG   GLN   6          2HG       GLN   6  -9.603   3.584   5.924
   39   1HE2  GLN   6          1HE2      GLN   6 -12.720   1.799   7.909
   40   2HE2  GLN   6          2HE2      GLN   6 -11.613   0.887   6.764
   41    H    GLN   7           H        GLN   7 -10.587   4.303   1.324
   42    HA   GLN   7           HA       GLN   7  -7.720   4.487   1.053
   43   1HB   GLN   7          1HB       GLN   7  -8.393   5.464  -1.373
   44   2HB   GLN   7          2HB       GLN   7  -8.526   3.769  -0.940
   45   1HG   GLN   7          1HG       GLN   7 -10.807   3.736  -1.108
   46   2HG   GLN   7          2HG       GLN   7 -11.018   5.262  -0.274
   47   1HE2  GLN   7          1HE2      GLN   7 -11.591   5.234  -4.229
   48   2HE2  GLN   7          2HE2      GLN   7 -11.456   3.739  -3.174
   49    H    ALA   8           H        ALA   8 -10.118   7.078   0.397
   50    HA   ALA   8           HA       ALA   8  -8.168   9.228  -0.009
   51   1HB   ALA   8          1HB       ALA   8 -10.416  10.647   0.555
   52   2HB   ALA   8          2HB       ALA   8 -10.159   9.827  -0.997
   53   3HB   ALA   8          3HB       ALA   8 -11.177   9.067   0.253
   54    H    GLU   9           H        GLU   9 -10.097   8.171   2.783
   55    HA   GLU   9           HA       GLU   9  -9.691  10.252   4.684
   56   1HB   GLU   9          1HB       GLU   9 -11.162   8.665   5.466
   57   2HB   GLU   9          2HB       GLU   9 -10.189   7.299   4.954
   58   1HG   GLU   9          1HG       GLU   9  -9.537   7.015   7.114
   59   2HG   GLU   9          2HG       GLU   9  -8.618   8.507   7.014
   60    H    ALA  10           H        ALA  10  -7.482   7.716   3.633
   61    HA   ALA  10           HA       ALA  10  -5.459   7.798   5.687
   62   1HB   ALA  10          1HB       ALA  10  -3.931   6.776   4.007
   63   2HB   ALA  10          2HB       ALA  10  -5.535   6.020   3.967
   64   3HB   ALA  10          3HB       ALA  10  -5.063   7.171   2.692
   65    NH1  ARG  11           NH1      ARG  11  -8.060  12.294  -1.574
   66    NH2  ARG  11           NH2      ARG  11  -7.376  10.260  -2.319
   67    H    ARG  11           H        ARG  11  -5.485   9.487   2.529
   68    HA   ARG  11           HA       ARG  11  -2.981  11.009   2.911
   69   1HB   ARG  11          1HB       ARG  11  -4.349  10.437   0.684
   70   2HB   ARG  11          2HB       ARG  11  -3.299  11.841   0.810
   71   1HG   ARG  11          1HG       ARG  11  -6.363  11.829   0.995
   72   2HG   ARG  11          2HG       ARG  11  -5.407  13.228   1.486
   73   1HD   ARG  11          1HD       ARG  11  -4.282  13.113  -0.890
   74   2HD   ARG  11          2HD       ARG  11  -5.928  13.733  -0.785
   75    HE   ARG  11           HE       ARG  11  -5.107  11.241  -2.162
   76   1HH1  ARG  11          1HH1      ARG  11  -9.010  11.954  -1.756
   77   2HH1  ARG  11          2HH1      ARG  11  -7.796  13.221  -1.221
   78   1HH2  ARG  11          1HH2      ARG  11  -6.591   9.662  -2.600
   79   2HH2  ARG  11          2HH2      ARG  11  -8.375  10.036  -2.387
   80    H    ALA  12           H        ALA  12  -6.400  11.623   3.529
   81    HA   ALA  12           HA       ALA  12  -6.461  14.460   3.995
   82   1HB   ALA  12          1HB       ALA  12  -8.463  14.071   5.417
   83   2HB   ALA  12          2HB       ALA  12  -8.523  13.089   3.939
   84   3HB   ALA  12          3HB       ALA  12  -8.108  12.328   5.495
   85    H    PHE  13           H        PHE  13  -5.312  11.831   6.043
   86    HA   PHE  13           HA       PHE  13  -5.008  13.478   8.528
   87   1HB   PHE  13          1HB       PHE  13  -5.562  11.145   8.843
   88   2HB   PHE  13          2HB       PHE  13  -4.261  10.589   7.823
   89    HD1  PHE  13           HD1      PHE  13  -1.774  11.141   8.687
   90    HD2  PHE  13           HD2      PHE  13  -5.253  11.367  11.212
   91    HE1  PHE  13           HE1      PHE  13  -0.362  10.832  10.680
   92    HE2  PHE  13           HE2      PHE  13  -3.823  11.071  13.191
   93    HZ   PHE  13           HZ       PHE  13  -1.379  10.816  12.933
   94    H    LEU  14           H        LEU  14  -2.964  12.108   5.973
   95    HA   LEU  14           HA       LEU  14  -0.370  13.090   7.068
   96   1HB   LEU  14          1HB       LEU  14  -0.746  12.284   4.151
   97   2HB   LEU  14          2HB       LEU  14   0.678  12.138   5.159
   98    HG   LEU  14           HG       LEU  14  -1.839  10.491   5.772
   99   1HD1  LEU  14          1HD1      LEU  14   1.129   9.893   6.360
  100   2HD1  LEU  14          2HD1      LEU  14   0.012  10.629   7.523
  101   3HD1  LEU  14          3HD1      LEU  14  -0.283   8.972   6.938
  102   1HD2  LEU  14          1HD2      LEU  14  -1.021   8.644   4.368
  103   2HD2  LEU  14          2HD2      LEU  14  -1.118  10.092   3.335
  104   3HD2  LEU  14          3HD2      LEU  14   0.454   9.546   3.936
  105    H    SER  15           H        SER  15   1.009  14.377   5.363
  106    HA   SER  15           HA       SER  15  -0.388  17.048   5.027
  107   1HB   SER  15          1HB       SER  15   2.599  16.716   4.618
  108   2HB   SER  15          2HB       SER  15   1.943  16.539   6.247
  109    HG   SER  15           HG       SER  15   2.557  18.694   5.503
  110    H    GLU  16           H        GLU  16   0.619  18.365   3.127
  111    HA   GLU  16           HA       GLU  16  -0.140  16.968   0.576
  112   1HB   GLU  16          1HB       GLU  16   0.585  19.898   1.103
  113   2HB   GLU  16          2HB       GLU  16   0.139  19.262  -0.468
  114   1HG   GLU  16          1HG       GLU  16  -1.684  19.260   2.026
  115   2HG   GLU  16          2HG       GLU  16  -2.136  18.590   0.467
  116    H    GLU  17           H        GLU  17   2.688  18.442   2.087
  117    HA   GLU  17           HA       GLU  17   4.496  18.081  -0.291
  118   1HB   GLU  17          1HB       GLU  17   5.265  18.917   2.555
  119   2HB   GLU  17          2HB       GLU  17   6.311  18.953   1.149
  120   1HG   GLU  17          1HG       GLU  17   4.236  20.543   0.213
  121   2HG   GLU  17          2HG       GLU  17   5.686  21.150   0.994
  122    H    MET  18           H        MET  18   3.757  16.498   2.766
  123    HA   MET  18           HA       MET  18   6.005  14.668   2.994
  124   1HB   MET  18          1HB       MET  18   4.595  14.957   4.926
  125   2HB   MET  18          2HB       MET  18   3.143  14.492   4.058
  126   1HG   MET  18          1HG       MET  18   4.701  12.162   3.799
  127   2HG   MET  18          2HG       MET  18   3.424  12.430   4.995
  128   1HE   MET  18          1HE       MET  18   3.820  13.788   7.239
  129   2HE   MET  18          2HE       MET  18   4.009  12.057   7.645
  130   3HE   MET  18          3HE       MET  18   5.167  13.254   8.294
  131    H    ILE  19           H        ILE  19   3.042  14.564   1.107
  132    HA   ILE  19           HA       ILE  19   3.009  11.781   0.252
  133    HB   ILE  19           HB       ILE  19   2.024  14.236  -1.290
  134   1HG1  ILE  19          1HG1      ILE  19   0.943  13.566   1.062
  135   2HG1  ILE  19          2HG1      ILE  19  -0.076  14.019  -0.288
  136   1HG2  ILE  19          1HG2      ILE  19   0.676  12.654  -2.688
  137   2HG2  ILE  19          2HG2      ILE  19   2.396  12.311  -2.865
  138   3HG2  ILE  19          3HG2      ILE  19   1.391  11.260  -1.841
  139   1HD1  ILE  19          1HD1      ILE  19   0.420  11.118   0.602
  140   2HD1  ILE  19          2HD1      ILE  19  -1.065  12.073   0.783
  141   3HD1  ILE  19          3HD1      ILE  19  -0.517  11.594  -0.841
  142    H    ALA  20           H        ALA  20   4.654  14.659  -1.049
  143    HA   ALA  20           HA       ALA  20   5.756  13.733  -3.486
  144   1HB   ALA  20          1HB       ALA  20   5.966  16.067  -2.320
  145   2HB   ALA  20          2HB       ALA  20   7.466  15.439  -1.609
  146   3HB   ALA  20          3HB       ALA  20   7.297  15.546  -3.380
  147    H    GLU  21           H        GLU  21   7.325  13.512  -0.270
  148    HA   GLU  21           HA       GLU  21   9.661  11.952  -1.234
  149   1HB   GLU  21          1HB       GLU  21  10.594  12.241   0.819
  150   2HB   GLU  21          2HB       GLU  21   9.453  13.571   0.847
  151   1HG   GLU  21          1HG       GLU  21   7.833  11.842   2.099
  152   2HG   GLU  21          2HG       GLU  21   9.101  12.682   2.975
  153    H    PHE  22           H        PHE  22   6.520  11.233   0.145
  154    HA   PHE  22           HA       PHE  22   6.859   8.573   1.180
  155   1HB   PHE  22          1HB       PHE  22   4.320   9.469  -0.293
  156   2HB   PHE  22          2HB       PHE  22   4.751  10.112   1.269
  157    HD1  PHE  22           HD1      PHE  22   2.205   8.823   1.180
  158    HD2  PHE  22           HD2      PHE  22   6.034   6.898   1.577
  159    HE1  PHE  22           HE1      PHE  22   1.141   6.917   2.314
  160    HE2  PHE  22           HE2      PHE  22   4.953   5.008   2.724
  161    HZ   PHE  22           HZ       PHE  22   2.503   4.992   3.054
  162    H    LYS  23           H        LYS  23   6.104   9.671  -2.119
  163    HA   LYS  23           HA       LYS  23   5.774   7.041  -3.400
  164   1HB   LYS  23          1HB       LYS  23   6.852   9.147  -5.202
  165   2HB   LYS  23          2HB       LYS  23   5.397   8.184  -5.344
  166   1HG   LYS  23          1HG       LYS  23   4.446   9.799  -3.440
  167   2HG   LYS  23          2HG       LYS  23   5.791  10.837  -3.871
  168   1HD   LYS  23          1HD       LYS  23   4.485  10.099  -6.367
  169   2HD   LYS  23          2HD       LYS  23   3.218  10.473  -5.210
  170   1HE   LYS  23          1HE       LYS  23   3.983  12.733  -4.855
  171   2HE   LYS  23          2HE       LYS  23   5.560  12.429  -5.587
  172   1HZ   LYS  23          1HZ       LYS  23   3.775  13.625  -6.959
  173   2HZ   LYS  23          2HZ       LYS  23   4.619  12.425  -7.719
  174   3HZ   LYS  23          3HZ       LYS  23   3.079  12.145  -7.190
  175    H    ALA  24           H        ALA  24   8.519   9.153  -2.724
  176    HA   ALA  24           HA       ALA  24  10.620   8.070  -4.329
  177   1HB   ALA  24          1HB       ALA  24  12.204   8.915  -2.607
  178   2HB   ALA  24          2HB       ALA  24  10.916  10.092  -2.925
  179   3HB   ALA  24          3HB       ALA  24  10.878   9.112  -1.437
  180    H    ALA  25           H        ALA  25   9.226   6.844  -1.319
  181    HA   ALA  25           HA       ALA  25  11.277   4.697  -0.907
  182   1HB   ALA  25          1HB       ALA  25   9.913   4.084   1.083
  183   2HB   ALA  25          2HB       ALA  25  10.258   5.823   1.052
  184   3HB   ALA  25          3HB       ALA  25   8.639   5.230   0.603
  185    H    PHE  26           H        PHE  26   7.989   4.996  -2.146
  186    HA   PHE  26           HA       PHE  26   7.214   2.176  -2.324
  187   1HB   PHE  26          1HB       PHE  26   6.313   4.444  -4.196
  188   2HB   PHE  26          2HB       PHE  26   5.676   4.216  -2.589
  189    HD1  PHE  26           HD1      PHE  26   4.259   2.141  -2.082
  190    HD2  PHE  26           HD2      PHE  26   5.676   2.952  -6.062
  191    HE1  PHE  26           HE1      PHE  26   2.568   0.610  -3.007
  192    HE2  PHE  26           HE2      PHE  26   3.980   1.415  -6.969
  193    HZ   PHE  26           HZ       PHE  26   2.407   0.266  -5.450
  194    H    ASP  27           H        ASP  27   9.157   4.324  -4.325
  195    HA   ASP  27           HA       ASP  27   9.292   2.622  -6.735
  196   1HB   ASP  27          1HB       ASP  27  11.298   4.832  -6.029
  197   2HB   ASP  27          2HB       ASP  27   9.690   5.176  -6.624
  198    H    MET  28           H        MET  28  11.092   2.827  -3.750
  199    HA   MET  28           HA       MET  28  13.622   1.679  -4.243
  200   1HB   MET  28          1HB       MET  28  11.756   1.157  -1.872
  201   2HB   MET  28          2HB       MET  28  13.340   0.410  -1.973
  202   1HG   MET  28          1HG       MET  28  13.144   3.450  -2.285
  203   2HG   MET  28          2HG       MET  28  13.018   2.721  -0.675
  204   1HE   MET  28          1HE       MET  28  15.764   4.572  -2.481
  205   2HE   MET  28          2HE       MET  28  16.734   3.287  -3.261
  206   3HE   MET  28          3HE       MET  28  15.032   3.539  -3.749
  207    H    PHE  29           H        PHE  29  10.490   0.037  -4.147
  208    HA   PHE  29           HA       PHE  29  11.733  -2.655  -4.873
  209   1HB   PHE  29          1HB       PHE  29   8.834  -1.943  -4.090
  210   2HB   PHE  29          2HB       PHE  29   9.335  -3.523  -4.628
  211    HD1  PHE  29           HD1      PHE  29  10.971  -1.122  -2.168
  212    HD2  PHE  29           HD2      PHE  29   9.281  -5.027  -2.821
  213    HE1  PHE  29           HE1      PHE  29  11.603  -1.791   0.115
  214    HE2  PHE  29           HE2      PHE  29   9.918  -5.673  -0.533
  215    HZ   PHE  29           HZ       PHE  29  11.069  -4.059   0.938
  216    H    ASP  30           H        ASP  30   9.588  -0.113  -6.057
  217    HA   ASP  30           HA       ASP  30   9.236  -1.475  -8.745
  218   1HB   ASP  30          1HB       ASP  30   8.057   1.267  -8.159
  219   2HB   ASP  30          2HB       ASP  30   7.375  -0.128  -7.355
  220    H    ALA  31           H        ALA  31  11.706  -1.209  -8.746
  221    HA   ALA  31           HA       ALA  31  13.184   1.207  -9.116
  222   1HB   ALA  31          1HB       ALA  31  14.822  -0.158 -10.418
  223   2HB   ALA  31          2HB       ALA  31  14.257  -1.017  -8.972
  224   3HB   ALA  31          3HB       ALA  31  13.640  -1.479 -10.579
  225    H    ASP  32           H        ASP  32  10.970  -0.410 -11.297
  226    HA   ASP  32           HA       ASP  32  11.821   0.991 -13.794
  227   1HB   ASP  32          1HB       ASP  32   9.400  -0.783 -13.213
  228   2HB   ASP  32          2HB       ASP  32  10.831  -1.163 -14.144
  229    H    GLY  33           H        GLY  33   8.431   1.005 -12.888
  230   1HA   GLY  33          1HA       GLY  33   8.318   4.024 -13.377
  231   2HA   GLY  33          2HA       GLY  33   6.959   2.913 -13.567
  232    H    GLY  34           H        GLY  34   5.790   2.219 -11.790
  233   1HA   GLY  34          1HA       GLY  34   6.009   3.985  -9.295
  234   2HA   GLY  34          2HA       GLY  34   5.922   2.234  -9.076
  235    H    GLY  35           H        GLY  35   4.031   1.202  -9.189
  236   1HA   GLY  35          1HA       GLY  35   1.456   2.788  -9.300
  237   2HA   GLY  35          2HA       GLY  35   1.643   1.623 -10.614
  238    H    ASP  36           H        ASP  36   3.018  -0.409  -9.291
  239    HA   ASP  36           HA       ASP  36   1.484  -1.365  -6.892
  240   1HB   ASP  36          1HB       ASP  36   0.398  -3.306  -7.943
  241   2HB   ASP  36          2HB       ASP  36  -0.233  -1.798  -8.564
  242    H    ILE  37           H        ILE  37   2.280  -3.379  -6.121
  243    HA   ILE  37           HA       ILE  37   4.825  -4.532  -7.324
  244    HB   ILE  37           HB       ILE  37   5.997  -4.450  -5.081
  245   1HG1  ILE  37          1HG1      ILE  37   4.535  -1.926  -4.277
  246   2HG1  ILE  37          2HG1      ILE  37   3.647  -3.409  -3.999
  247   1HG2  ILE  37          1HG2      ILE  37   7.008  -2.207  -5.515
  248   2HG2  ILE  37          2HG2      ILE  37   6.683  -3.036  -7.044
  249   3HG2  ILE  37          3HG2      ILE  37   5.607  -1.726  -6.502
  250   1HD1  ILE  37          1HD1      ILE  37   6.415  -2.806  -2.806
  251   2HD1  ILE  37          2HD1      ILE  37   4.853  -2.859  -1.961
  252   3HD1  ILE  37          3HD1      ILE  37   5.546  -4.355  -2.629
  253    H    SER  38           H        SER  38   5.474  -6.270  -5.373
  254    HA   SER  38           HA       SER  38   3.275  -8.276  -5.314
  255   1HB   SER  38          1HB       SER  38   6.000  -8.503  -5.273
  256   2HB   SER  38          2HB       SER  38   5.675  -8.693  -3.547
  257    HG   SER  38           HG       SER  38   4.670 -10.183  -5.724
  258    H    THR  39           H        THR  39   2.281  -9.113  -3.462
  259    HA   THR  39           HA       THR  39   1.588  -7.089  -1.345
  260    HB   THR  39           HB       THR  39  -0.342  -8.120  -2.130
  261    HG1  THR  39           HG1      THR  39  -0.913  -9.590  -0.333
  262   1HG2  THR  39          1HG2      THR  39  -0.802 -10.522  -2.357
  263   2HG2  THR  39          2HG2      THR  39   0.651 -10.130  -3.307
  264   3HG2  THR  39          3HG2      THR  39   0.807 -10.953  -1.732
  265    H    LYS  40           H        LYS  40   3.364 -10.104  -1.703
  266    HA   LYS  40           HA       LYS  40   3.882 -10.690   1.136
  267   1HB   LYS  40          1HB       LYS  40   5.220 -11.524  -1.475
  268   2HB   LYS  40          2HB       LYS  40   4.295 -12.501  -0.355
  269   1HG   LYS  40          1HG       LYS  40   7.153 -11.440   0.039
  270   2HG   LYS  40          2HG       LYS  40   6.247 -12.187   1.341
  271   1HD   LYS  40          1HD       LYS  40   6.766 -14.299   0.611
  272   2HD   LYS  40          2HD       LYS  40   6.147 -13.946  -0.994
  273   1HE   LYS  40          1HE       LYS  40   8.671 -12.567  -0.859
  274   2HE   LYS  40          2HE       LYS  40   8.957 -14.153  -0.141
  275   1HZ   LYS  40          1HZ       LYS  40   7.477 -13.962  -2.697
  276   2HZ   LYS  40          2HZ       LYS  40   9.125 -13.844  -2.691
  277   3HZ   LYS  40          3HZ       LYS  40   8.392 -15.210  -2.119
  278    H    GLU  41           H        GLU  41   5.335  -8.580  -1.274
  279    HA   GLU  41           HA       GLU  41   7.811  -7.979   0.320
  280   1HB   GLU  41          1HB       GLU  41   6.802  -6.779  -2.313
  281   2HB   GLU  41          2HB       GLU  41   8.314  -6.340  -1.544
  282   1HG   GLU  41          1HG       GLU  41   7.935  -8.393  -3.444
  283   2HG   GLU  41          2HG       GLU  41   9.388  -8.106  -2.501
  284    H    LEU  42           H        LEU  42   4.843  -6.276  -0.677
  285    HA   LEU  42           HA       LEU  42   5.162  -3.648   0.114
  286   1HB   LEU  42          1HB       LEU  42   3.043  -3.931  -0.710
  287   2HB   LEU  42          2HB       LEU  42   2.810  -5.487   0.058
  288    HG   LEU  42           HG       LEU  42   2.785  -3.052   1.878
  289   1HD1  LEU  42          1HD1      LEU  42   0.375  -2.577   1.357
  290   2HD1  LEU  42          2HD1      LEU  42   1.413  -2.239  -0.037
  291   3HD1  LEU  42          3HD1      LEU  42   0.429  -3.723  -0.006
  292   1HD2  LEU  42          1HD2      LEU  42   1.057  -5.618   1.812
  293   2HD2  LEU  42          2HD2      LEU  42   2.466  -5.332   2.864
  294   3HD2  LEU  42          3HD2      LEU  42   1.003  -4.350   3.064
  295    H    GLY  43           H        GLY  43   4.703  -6.414   2.252
  296   1HA   GLY  43          1HA       GLY  43   4.438  -5.185   4.884
  297   2HA   GLY  43          2HA       GLY  43   5.226  -6.739   4.583
  298    H    THR  44           H        THR  44   7.447  -6.616   3.614
  299    HA   THR  44           HA       THR  44   9.380  -5.568   5.284
  300    HB   THR  44           HB       THR  44   9.566  -6.202   2.330
  301    HG1  THR  44           HG1      THR  44   9.574  -7.922   3.575
  302   1HG2  THR  44          1HG2      THR  44  12.056  -5.994   2.410
  303   2HG2  THR  44          2HG2      THR  44  11.274  -4.406   2.558
  304   3HG2  THR  44          3HG2      THR  44  11.953  -5.201   4.002
  305    H    VAL  45           H        VAL  45   8.044  -3.894   2.438
  306    HA   VAL  45           HA       VAL  45   9.785  -1.606   2.281
  307    HB   VAL  45           HB       VAL  45   7.838  -2.356   0.678
  308   1HG1  VAL  45          1HG1      VAL  45   8.380   0.664   0.974
  309   2HG1  VAL  45          2HG1      VAL  45   9.547  -0.470   0.284
  310   3HG1  VAL  45          3HG1      VAL  45   7.977  -0.231  -0.515
  311   1HG2  VAL  45          1HG2      VAL  45   5.771  -1.056   0.727
  312   2HG2  VAL  45          2HG2      VAL  45   5.926  -1.808   2.332
  313   3HG2  VAL  45          3HG2      VAL  45   6.318  -0.095   2.125
  314    H    MET  46           H        MET  46   6.712  -1.999   4.075
  315    HA   MET  46           HA       MET  46   6.615   0.665   5.277
  316   1HB   MET  46          1HB       MET  46   4.720  -1.155   5.099
  317   2HB   MET  46          2HB       MET  46   4.731  -0.007   6.425
  318   1HG   MET  46          1HG       MET  46   5.100  -2.992   6.497
  319   2HG   MET  46          2HG       MET  46   6.159  -2.093   7.596
  320   1HE   MET  46          1HE       MET  46   2.748  -3.915   8.502
  321   2HE   MET  46          2HE       MET  46   1.720  -2.786   7.571
  322   3HE   MET  46          3HE       MET  46   3.085  -3.616   6.768
  323    NH1  ARG  47           NH1      ARG  47  11.232  -6.994   7.521
  324    NH2  ARG  47           NH2      ARG  47  11.947  -7.159   9.670
  325    H    ARG  47           H        ARG  47   8.162  -2.358   6.207
  326    HA   ARG  47           HA       ARG  47   8.794  -1.730   9.017
  327   1HB   ARG  47          1HB       ARG  47   9.662  -3.851   7.040
  328   2HB   ARG  47          2HB       ARG  47  10.752  -3.529   8.381
  329   1HG   ARG  47          1HG       ARG  47   9.271  -4.290  10.028
  330   2HG   ARG  47          2HG       ARG  47   7.825  -3.894   9.097
  331   1HD   ARG  47          1HD       ARG  47   8.905  -5.835   7.438
  332   2HD   ARG  47          2HD       ARG  47   7.706  -6.160   8.687
  333    HE   ARG  47           HE       ARG  47   9.452  -7.114  10.125
  334   1HH1  ARG  47          1HH1      ARG  47  12.847  -7.440   9.266
  335   2HH1  ARG  47          2HH1      ARG  47  11.733  -7.028  10.665
  336   1HH2  ARG  47          1HH2      ARG  47  10.477  -6.735   6.875
  337   2HH2  ARG  47          2HH2      ARG  47  12.180  -7.295   7.267
  338    H    MET  48           H        MET  48  10.421  -1.170   5.933
  339    HA   MET  48           HA       MET  48  13.017  -0.275   7.159
  340   1HB   MET  48          1HB       MET  48  12.620  -1.494   4.820
  341   2HB   MET  48          2HB       MET  48  12.319   0.127   4.218
  342   1HG   MET  48          1HG       MET  48  14.930  -0.821   5.564
  343   2HG   MET  48          2HG       MET  48  14.620   0.849   5.063
  344   1HE   MET  48          1HE       MET  48  16.804  -2.028   2.835
  345   2HE   MET  48          2HE       MET  48  17.267  -0.318   3.082
  346   3HE   MET  48          3HE       MET  48  16.772  -1.317   4.480
  347    H    LEU  49           H        LEU  49  10.080   1.154   7.093
  348    HA   LEU  49           HA       LEU  49  11.071   3.988   6.553
  349   1HB   LEU  49          1HB       LEU  49   8.580   4.552   7.092
  350   2HB   LEU  49          2HB       LEU  49   8.272   2.829   7.046
  351    HG   LEU  49           HG       LEU  49   9.114   2.757   4.639
  352   1HD1  LEU  49          1HD1      LEU  49   9.088   5.839   4.785
  353   2HD1  LEU  49          2HD1      LEU  49  10.563   4.855   4.767
  354   3HD1  LEU  49          3HD1      LEU  49   9.469   4.838   3.361
  355   1HD2  LEU  49          1HD2      LEU  49   7.061   3.666   3.638
  356   2HD2  LEU  49          2HD2      LEU  49   6.625   3.017   5.239
  357   3HD2  LEU  49          3HD2      LEU  49   6.801   4.764   5.017
  358    H    GLY  50           H        GLY  50   9.752   1.846   9.056
  359   1HA   GLY  50          1HA       GLY  50  11.384   2.471  11.251
  360   2HA   GLY  50          2HA       GLY  50  10.240   3.817  11.296
  361    H    GLN  51           H        GLN  51  10.180   0.271  10.899
  362    HA   GLN  51           HA       GLN  51   8.210  -0.119  13.146
  363   1HB   GLN  51          1HB       GLN  51   7.337  -0.850  10.286
  364   2HB   GLN  51          2HB       GLN  51   6.495  -1.276  11.766
  365   1HG   GLN  51          1HG       GLN  51   6.970   1.630  10.871
  366   2HG   GLN  51          2HG       GLN  51   5.527   0.716  10.483
  367   1HE2  GLN  51          1HE2      GLN  51   5.327   2.786  13.815
  368   2HE2  GLN  51          2HE2      GLN  51   5.996   3.178  12.152
  369    H    ASN  52           H        ASN  52   7.567  -2.587  13.035
  370    HA   ASN  52           HA       ASN  52   9.846  -4.314  12.075
  371   1HB   ASN  52          1HB       ASN  52   9.241  -3.748  14.989
  372   2HB   ASN  52          2HB       ASN  52   9.767  -5.367  14.579
  373   1HD2  ASN  52          1HD2      ASN  52  13.186  -4.252  14.045
  374   2HD2  ASN  52          2HD2      ASN  52  11.968  -5.607  13.827
  375    HA   PRO  53           HA       PRO  53   4.953  -6.069  12.460
  376   1HB   PRO  53          1HB       PRO  53   4.260  -6.119  10.077
  377   2HB   PRO  53          2HB       PRO  53   5.963  -5.998   9.561
  378   1HG   PRO  53          1HG       PRO  53   4.272  -3.801  10.836
  379   2HG   PRO  53          2HG       PRO  53   5.350  -3.684   9.426
  380   1HD   PRO  53          1HD       PRO  53   6.038  -3.080  12.133
  381   2HD   PRO  53          2HD       PRO  53   7.231  -3.352  10.818
  382    H    THR  54           H        THR  54   4.759  -8.212  12.730
  383    HA   THR  54           HA       THR  54   7.134 -10.039  12.458
  384    HB   THR  54           HB       THR  54   4.523 -10.183  13.900
  385    HG1  THR  54           HG1      THR  54   5.882 -11.029  15.430
  386   1HG2  THR  54          1HG2      THR  54   4.592 -12.633  14.237
  387   2HG2  THR  54          2HG2      THR  54   4.314 -12.272  12.518
  388   3HG2  THR  54          3HG2      THR  54   5.924 -12.801  13.069
  389    H    LYS  55           H        LYS  55   7.073 -11.995  11.273
  390    HA   LYS  55           HA       LYS  55   6.264 -11.637   8.474
  391   1HB   LYS  55          1HB       LYS  55   7.109 -14.290   9.776
  392   2HB   LYS  55          2HB       LYS  55   8.256 -13.037   9.353
  393   1HG   LYS  55          1HG       LYS  55   6.608 -14.836   7.533
  394   2HG   LYS  55          2HG       LYS  55   8.341 -14.580   7.551
  395   1HD   LYS  55          1HD       LYS  55   6.168 -12.823   6.296
  396   2HD   LYS  55          2HD       LYS  55   7.679 -12.082   6.798
  397   1HE   LYS  55          1HE       LYS  55   8.802 -14.106   5.395
  398   2HE   LYS  55          2HE       LYS  55   7.242 -14.118   4.570
  399   1HZ   LYS  55          1HZ       LYS  55   8.624 -11.534   4.933
  400   2HZ   LYS  55          2HZ       LYS  55   9.166 -12.572   3.768
  401   3HZ   LYS  55          3HZ       LYS  55   7.612 -12.015   3.720
  402    H    GLU  56           H        GLU  56   4.927 -13.382  11.231
  403    HA   GLU  56           HA       GLU  56   2.882 -14.951   9.828
  404   1HB   GLU  56          1HB       GLU  56   1.792 -14.743  12.326
  405   2HB   GLU  56          2HB       GLU  56   3.436 -14.269  12.707
  406   1HG   GLU  56          1HG       GLU  56   2.574 -16.928  11.398
  407   2HG   GLU  56          2HG       GLU  56   4.252 -16.454  11.597
  408    H    GLU  57           H        GLU  57   3.006 -11.694  11.155
  409    HA   GLU  57           HA       GLU  57   0.129 -11.070  11.127
  410   1HB   GLU  57          1HB       GLU  57   0.683  -8.783  11.523
  411   2HB   GLU  57          2HB       GLU  57   2.285  -8.936  10.828
  412   1HG   GLU  57          1HG       GLU  57   2.941 -10.463  12.791
  413   2HG   GLU  57          2HG       GLU  57   2.596  -8.794  13.211
  414    H    LEU  58           H        LEU  58   2.746 -10.826   8.769
  415    HA   LEU  58           HA       LEU  58   1.479  -9.307   6.654
  416   1HB   LEU  58          1HB       LEU  58   3.638 -11.469   6.626
  417   2HB   LEU  58          2HB       LEU  58   2.996 -10.868   5.113
  418    HG   LEU  58           HG       LEU  58   3.969  -8.738   5.345
  419   1HD1  LEU  58          1HD1      LEU  58   5.951 -10.423   7.001
  420   2HD1  LEU  58          2HD1      LEU  58   5.752 -10.590   5.251
  421   3HD1  LEU  58          3HD1      LEU  58   6.330  -9.050   5.930
  422   1HD2  LEU  58          1HD2      LEU  58   4.622  -7.622   7.450
  423   2HD2  LEU  58          2HD2      LEU  58   2.956  -8.223   7.633
  424   3HD2  LEU  58          3HD2      LEU  58   4.298  -9.099   8.393
  425    H    ASP  59           H        ASP  59   1.263 -12.704   7.577
  426    HA   ASP  59           HA       ASP  59  -0.246 -13.698   5.262
  427   1HB   ASP  59          1HB       ASP  59   0.148 -14.838   8.072
  428   2HB   ASP  59          2HB       ASP  59  -0.951 -15.593   6.941
  429    H    ALA  60           H        ALA  60  -1.160 -12.329   8.396
  430    HA   ALA  60           HA       ALA  60  -4.038 -12.656   8.335
  431   1HB   ALA  60          1HB       ALA  60  -4.123 -10.751   9.936
  432   2HB   ALA  60          2HB       ALA  60  -2.834 -11.894  10.359
  433   3HB   ALA  60          3HB       ALA  60  -2.427 -10.340   9.587
  434    H    ILE  61           H        ILE  61  -1.988  -9.990   7.116
  435    HA   ILE  61           HA       ILE  61  -3.907  -8.193   6.078
  436    HB   ILE  61           HB       ILE  61  -1.077  -8.793   5.184
  437   1HG1  ILE  61          1HG1      ILE  61  -2.462  -6.670   6.817
  438   2HG1  ILE  61          2HG1      ILE  61  -0.853  -7.340   6.981
  439   1HG2  ILE  61          1HG2      ILE  61  -1.162  -6.965   3.468
  440   2HG2  ILE  61          2HG2      ILE  61  -2.256  -8.276   3.034
  441   3HG2  ILE  61          3HG2      ILE  61  -2.914  -6.777   3.728
  442   1HD1  ILE  61          1HD1      ILE  61  -1.614  -5.163   4.948
  443   2HD1  ILE  61          2HD1      ILE  61  -0.637  -4.984   6.420
  444   3HD1  ILE  61          3HD1      ILE  61  -0.011  -5.941   5.057
  445    H    ILE  62           H        ILE  62  -2.689 -11.243   4.797
  446    HA   ILE  62           HA       ILE  62  -3.774 -11.067   2.053
  447    HB   ILE  62           HB       ILE  62  -2.019 -12.798   3.320
  448   1HG1  ILE  62          1HG1      ILE  62  -1.707 -13.876   1.156
  449   2HG1  ILE  62          2HG1      ILE  62  -3.351 -13.549   0.651
  450   1HG2  ILE  62          1HG2      ILE  62  -2.940 -15.124   3.142
  451   2HG2  ILE  62          2HG2      ILE  62  -3.859 -14.188   4.318
  452   3HG2  ILE  62          3HG2      ILE  62  -4.540 -14.478   2.701
  453   1HD1  ILE  62          1HD1      ILE  62  -1.172 -11.397   0.928
  454   2HD1  ILE  62          2HD1      ILE  62  -1.877 -12.048  -0.566
  455   3HD1  ILE  62          3HD1      ILE  62  -2.881 -11.071   0.530
  456    H    GLU  63           H        GLU  63  -4.929 -12.424   5.124
  457    HA   GLU  63           HA       GLU  63  -7.508 -13.455   4.192
  458   1HB   GLU  63          1HB       GLU  63  -6.519 -14.140   6.343
  459   2HB   GLU  63          2HB       GLU  63  -6.698 -12.524   6.996
  460   1HG   GLU  63          1HG       GLU  63  -8.571 -13.536   7.945
  461   2HG   GLU  63          2HG       GLU  63  -9.312 -12.890   6.491
  462    H    GLU  64           H        GLU  64  -6.362 -10.253   5.034
  463    HA   GLU  64           HA       GLU  64  -9.182  -9.086   4.752
  464   1HB   GLU  64          1HB       GLU  64  -8.039  -8.928   7.037
  465   2HB   GLU  64          2HB       GLU  64  -6.868  -7.839   6.321
  466   1HG   GLU  64          1HG       GLU  64  -8.638  -6.160   5.814
  467   2HG   GLU  64          2HG       GLU  64  -9.900  -7.272   6.314
  468    H    VAL  65           H        VAL  65  -7.155  -9.669   2.636
  469    HA   VAL  65           HA       VAL  65  -7.536  -7.108   1.144
  470    HB   VAL  65           HB       VAL  65  -5.387  -6.425   0.635
  471   1HG1  VAL  65          1HG1      VAL  65  -4.041  -8.927   1.843
  472   2HG1  VAL  65          2HG1      VAL  65  -4.437  -8.759   0.122
  473   3HG1  VAL  65          3HG1      VAL  65  -3.282  -7.636   0.879
  474   1HG2  VAL  65          1HG2      VAL  65  -4.239  -5.876   2.714
  475   2HG2  VAL  65          2HG2      VAL  65  -5.972  -5.958   3.113
  476   3HG2  VAL  65          3HG2      VAL  65  -4.903  -7.296   3.557
  477    H    ASP  66           H        ASP  66  -5.596 -10.134   1.076
  478    HA   ASP  66           HA       ASP  66  -6.602 -10.794  -1.710
  479   1HB   ASP  66          1HB       ASP  66  -4.447 -12.128   0.017
  480   2HB   ASP  66          2HB       ASP  66  -4.211 -11.124  -1.395
  481    H    GLU  67           H        GLU  67  -8.613 -10.675   0.045
  482    HA   GLU  67           HA       GLU  67  -9.337 -13.359   1.189
  483   1HB   GLU  67          1HB       GLU  67 -11.068 -12.360   2.264
  484   2HB   GLU  67          2HB       GLU  67 -10.056 -10.947   2.034
  485   1HG   GLU  67          1HG       GLU  67 -11.579 -10.751  -0.262
  486   2HG   GLU  67          2HG       GLU  67 -12.710 -11.643   0.741
  487    H    ASP  68           H        ASP  68 -10.286 -11.288  -1.547
  488    HA   ASP  68           HA       ASP  68 -11.759 -13.613  -2.864
  489   1HB   ASP  68          1HB       ASP  68 -12.820 -11.214  -2.567
  490   2HB   ASP  68          2HB       ASP  68 -13.100 -12.151  -4.017
  491    H    GLY  69           H        GLY  69  -9.225 -11.172  -3.418
  492   1HA   GLY  69          1HA       GLY  69  -7.967 -12.977  -5.565
  493   2HA   GLY  69          2HA       GLY  69  -7.049 -11.912  -4.495
  494    H    SER  70           H        SER  70  -6.984  -9.711  -4.857
  495    HA   SER  70           HA       SER  70  -8.325  -8.357  -7.177
  496   1HB   SER  70          1HB       SER  70  -5.964  -7.085  -5.780
  497   2HB   SER  70          2HB       SER  70  -7.463  -6.363  -6.369
  498    HG   SER  70           HG       SER  70  -7.917  -6.465  -4.340
  499    H    GLY  71           H        GLY  71  -4.881  -8.871  -6.300
  500   1HA   GLY  71          1HA       GLY  71  -3.724 -10.307  -8.384
  501   2HA   GLY  71          2HA       GLY  71  -4.049  -8.784  -9.218
  502    H    THR  72           H        THR  72  -3.536  -6.885  -7.377
  503    HA   THR  72           HA       THR  72  -0.828  -7.236  -6.139
  504    HB   THR  72           HB       THR  72   0.279  -5.434  -7.473
  505    HG1  THR  72           HG1      THR  72  -1.780  -5.899  -9.336
  506   1HG2  THR  72          1HG2      THR  72   1.120  -6.770  -9.240
  507   2HG2  THR  72          2HG2      THR  72   0.613  -7.989  -8.050
  508   3HG2  THR  72          3HG2      THR  72  -0.406  -7.651  -9.474
  509    H    ILE  73           H        ILE  73  -0.146  -5.312  -4.994
  510    HA   ILE  73           HA       ILE  73  -2.512  -3.723  -3.973
  511    HB   ILE  73           HB       ILE  73  -1.034  -5.054  -2.366
  512   1HG1  ILE  73          1HG1      ILE  73  -2.122  -2.269  -2.001
  513   2HG1  ILE  73          2HG1      ILE  73  -1.062  -2.845  -0.728
  514   1HG2  ILE  73          1HG2      ILE  73   1.000  -4.042  -1.405
  515   2HG2  ILE  73          2HG2      ILE  73   1.250  -4.292  -3.138
  516   3HG2  ILE  73          3HG2      ILE  73   0.907  -2.658  -2.519
  517   1HD1  ILE  73          1HD1      ILE  73  -2.689  -5.065  -0.894
  518   2HD1  ILE  73          2HD1      ILE  73  -3.009  -3.672   0.162
  519   3HD1  ILE  73          3HD1      ILE  73  -3.833  -3.797  -1.411
  520    H    ASP  74           H        ASP  74  -2.639  -1.561  -4.133
  521    HA   ASP  74           HA       ASP  74  -0.645  -0.174  -5.985
  522   1HB   ASP  74          1HB       ASP  74  -2.655   1.554  -6.165
  523   2HB   ASP  74          2HB       ASP  74  -2.602   0.096  -7.129
  524    H    PHE  75           H        PHE  75  -0.969   2.387  -5.560
  525    HA   PHE  75           HA       PHE  75   0.486   2.850  -2.991
  526   1HB   PHE  75          1HB       PHE  75  -0.387   5.085  -4.883
  527   2HB   PHE  75          2HB       PHE  75   0.857   3.971  -5.387
  528    HD1  PHE  75           HD1      PHE  75   2.056   6.387  -5.432
  529    HD2  PHE  75           HD2      PHE  75   1.120   4.233  -1.826
  530    HE1  PHE  75           HE1      PHE  75   3.506   7.899  -4.139
  531    HE2  PHE  75           HE2      PHE  75   2.650   5.697  -0.569
  532    HZ   PHE  75           HZ       PHE  75   3.837   7.532  -1.717
  533    H    GLU  76           H        GLU  76  -2.726   3.352  -4.321
  534    HA   GLU  76           HA       GLU  76  -3.782   5.267  -2.374
  535   1HB   GLU  76          1HB       GLU  76  -5.811   5.085  -3.412
  536   2HB   GLU  76          2HB       GLU  76  -4.757   4.523  -4.694
  537   1HG   GLU  76          1HG       GLU  76  -5.362   2.147  -4.231
  538   2HG   GLU  76          2HG       GLU  76  -6.278   2.613  -2.808
  539    H    GLU  77           H        GLU  77  -4.277   1.736  -2.653
  540    HA   GLU  77           HA       GLU  77  -5.462   1.290   0.006
  541   1HB   GLU  77          1HB       GLU  77  -5.272  -0.301  -2.165
  542   2HB   GLU  77          2HB       GLU  77  -3.870  -0.918  -1.314
  543   1HG   GLU  77          1HG       GLU  77  -5.569  -2.378  -0.582
  544   2HG   GLU  77          2HG       GLU  77  -5.483  -1.243   0.755
  545    H    PHE  78           H        PHE  78  -2.180   1.499  -1.243
  546    HA   PHE  78           HA       PHE  78  -0.654   0.388   0.944
  547   1HB   PHE  78          1HB       PHE  78   0.541   0.804  -1.064
  548   2HB   PHE  78          2HB       PHE  78   0.014   2.461  -1.193
  549    HD1  PHE  78           HD1      PHE  78   1.331   0.989   2.020
  550    HD2  PHE  78           HD2      PHE  78   2.222   3.485  -1.369
  551    HE1  PHE  78           HE1      PHE  78   3.524   1.546   2.992
  552    HE2  PHE  78           HE2      PHE  78   4.357   4.121  -0.327
  553    HZ   PHE  78           HZ       PHE  78   5.027   3.132   1.836
  554    H    LEU  79           H        LEU  79  -2.081   3.588   0.461
  555    HA   LEU  79           HA       LEU  79  -0.952   4.894   2.866
  556   1HB   LEU  79          1HB       LEU  79  -3.553   5.717   1.463
  557   2HB   LEU  79          2HB       LEU  79  -2.512   6.714   2.455
  558    HG   LEU  79           HG       LEU  79  -2.253   5.961  -0.448
  559   1HD1  LEU  79          1HD1      LEU  79   0.315   6.422   1.199
  560   2HD1  LEU  79          2HD1      LEU  79  -0.193   4.845   0.566
  561   3HD1  LEU  79          3HD1      LEU  79   0.204   6.166  -0.561
  562   1HD2  LEU  79          1HD2      LEU  79  -1.463   8.275  -0.690
  563   2HD2  LEU  79          2HD2      LEU  79  -2.856   8.309   0.420
  564   3HD2  LEU  79          3HD2      LEU  79  -1.214   8.440   1.067
  565    H    VAL  80           H        VAL  80  -3.826   2.996   2.133
  566    HA   VAL  80           HA       VAL  80  -5.401   3.584   4.526
  567    HB   VAL  80           HB       VAL  80  -5.573   1.534   2.347
  568   1HG1  VAL  80          1HG1      VAL  80  -7.809   3.190   3.673
  569   2HG1  VAL  80          2HG1      VAL  80  -6.806   3.806   2.353
  570   3HG1  VAL  80          3HG1      VAL  80  -7.839   2.383   2.084
  571   1HG2  VAL  80          1HG2      VAL  80  -7.301   0.154   3.404
  572   2HG2  VAL  80          2HG2      VAL  80  -5.869   0.090   4.458
  573   3HG2  VAL  80          3HG2      VAL  80  -7.245   1.109   4.905
  574    H    MET  81           H        MET  81  -2.886   1.235   3.760
  575    HA   MET  81           HA       MET  81  -3.178  -0.509   6.115
  576   1HB   MET  81          1HB       MET  81  -0.571  -0.182   4.540
  577   2HB   MET  81          2HB       MET  81  -1.114  -1.568   5.468
  578   1HG   MET  81          1HG       MET  81  -2.077  -0.653   2.712
  579   2HG   MET  81          2HG       MET  81  -1.451  -2.233   3.210
  580   1HE   MET  81          1HE       MET  81  -2.860  -4.103   3.124
  581   2HE   MET  81          2HE       MET  81  -3.006  -4.015   4.905
  582   3HE   MET  81          3HE       MET  81  -4.463  -4.286   3.905
  583    H    MET  82           H        MET  82  -0.880   2.109   5.308
  584    HA   MET  82           HA       MET  82   0.668   1.999   7.805
  585   1HB   MET  82          1HB       MET  82   1.775   4.022   7.097
  586   2HB   MET  82          2HB       MET  82   0.445   4.499   6.057
  587   1HG   MET  82          1HG       MET  82   1.785   3.662   4.378
  588   2HG   MET  82          2HG       MET  82   1.096   2.099   4.845
  589   1HE   MET  82          1HE       MET  82   5.167   3.790   6.393
  590   2HE   MET  82          2HE       MET  82   3.763   4.737   5.818
  591   3HE   MET  82          3HE       MET  82   3.730   3.993   7.443
  592    H    VAL  83           H        VAL  83  -2.235   3.708   6.790
  593    HA   VAL  83           HA       VAL  83  -2.417   5.567   9.090
  594    HB   VAL  83           HB       VAL  83  -4.273   4.831   6.825
  595   1HG1  VAL  83          1HG1      VAL  83  -6.137   6.206   7.767
  596   2HG1  VAL  83          2HG1      VAL  83  -5.842   4.783   8.775
  597   3HG1  VAL  83          3HG1      VAL  83  -5.262   6.378   9.310
  598   1HG2  VAL  83          1HG2      VAL  83  -3.328   7.567   7.912
  599   2HG2  VAL  83          2HG2      VAL  83  -2.667   6.731   6.488
  600   3HG2  VAL  83          3HG2      VAL  83  -4.340   7.307   6.468
  601    NH1  ARG  84           NH1      ARG  84  -8.396  -2.925   7.519
  602    NH2  ARG  84           NH2      ARG  84  -8.881  -0.814   6.832
  603    H    ARG  84           H        ARG  84  -3.545   2.314   8.333
  604    HA   ARG  84           HA       ARG  84  -5.413   1.820  10.516
  605   1HB   ARG  84          1HB       ARG  84  -4.751   0.322   8.402
  606   2HB   ARG  84          2HB       ARG  84  -3.565  -0.375   9.496
  607   1HG   ARG  84          1HG       ARG  84  -5.182  -1.316  10.951
  608   2HG   ARG  84          2HG       ARG  84  -6.457  -0.201  10.454
  609   1HD   ARG  84          1HD       ARG  84  -5.279  -2.403   8.632
  610   2HD   ARG  84          2HD       ARG  84  -6.768  -2.574   9.560
  611    HE   ARG  84           HE       ARG  84  -6.538  -0.339   7.489
  612   1HH1  ARG  84          1HH1      ARG  84  -9.318  -3.175   7.146
  613   2HH1  ARG  84          2HH1      ARG  84  -7.707  -3.562   7.933
  614   1HH2  ARG  84          1HH2      ARG  84  -8.577   0.163   6.753
  615   2HH2  ARG  84          2HH2      ARG  84  -9.756  -1.216   6.480
  616    H    GLN  85           H        GLN  85  -1.916   1.053  10.283
  617    HA   GLN  85           HA       GLN  85  -1.651  -0.027  13.013
  618   1HB   GLN  85          1HB       GLN  85   0.787   1.115  11.623
  619   2HB   GLN  85          2HB       GLN  85  -0.081  -0.166  10.794
  620   1HG   GLN  85          1HG       GLN  85   0.502  -0.721  13.700
  621   2HG   GLN  85          2HG       GLN  85   1.917  -0.571  12.678
  622   1HE2  GLN  85          1HE2      GLN  85   1.200  -3.650  10.852
  623   2HE2  GLN  85          2HE2      GLN  85   2.165  -2.089  10.893
  624    H    MET  86           H        MET  86  -0.684   3.074  11.531
  625    HA   MET  86           HA       MET  86   0.594   4.385  13.714
  626   1HB   MET  86          1HB       MET  86  -1.176   6.206  12.113
  627   2HB   MET  86          2HB       MET  86  -0.130   5.174  11.154
  628   1HG   MET  86          1HG       MET  86   1.756   6.083  12.936
  629   2HG   MET  86          2HG       MET  86   1.359   6.915  11.424
  630   1HE   MET  86          1HE       MET  86   1.923   9.632  14.311
  631   2HE   MET  86          2HE       MET  86   2.786   8.336  13.431
  632   3HE   MET  86          3HE       MET  86   2.002   9.659  12.521
  633    H    LYS  87           H        LYS  87  -2.844   3.968  13.057
  634    HA   LYS  87           HA       LYS  87  -3.923   5.762  15.156
  635   1HB   LYS  87          1HB       LYS  87  -5.435   5.175  13.382
  636   2HB   LYS  87          2HB       LYS  87  -5.153   3.456  13.556
  637   1HG   LYS  87          1HG       LYS  87  -7.393   4.180  14.390
  638   2HG   LYS  87          2HG       LYS  87  -6.456   3.344  15.613
  639   1HD   LYS  87          1HD       LYS  87  -7.585   5.232  16.687
  640   2HD   LYS  87          2HD       LYS  87  -5.855   5.535  16.682
  641   1HE   LYS  87          1HE       LYS  87  -5.976   7.248  15.025
  642   2HE   LYS  87          2HE       LYS  87  -7.547   6.722  14.417
  643   1HZ   LYS  87          1HZ       LYS  87  -7.887   7.373  17.122
  644   2HZ   LYS  87          2HZ       LYS  87  -6.990   8.590  16.457
  645   3HZ   LYS  87          3HZ       LYS  87  -8.455   8.194  15.806
  646    H    GLU  88           H        GLU  88  -3.710   2.185  14.949
  647    HA   GLU  88           HA       GLU  88  -2.797   1.919  17.788
  648   1HB   GLU  88          1HB       GLU  88  -5.676   1.669  17.175
  649   2HB   GLU  88          2HB       GLU  88  -5.038   0.200  17.886
  650   1HG   GLU  88          1HG       GLU  88  -3.954   2.027  19.653
  651   2HG   GLU  88          2HG       GLU  88  -5.344   2.955  19.115
  652    H    ASP  89           H        ASP  89  -4.760  -0.304  15.836
  653    HA   ASP  89           HA       ASP  89  -2.485  -1.686  14.516
  654   1HB   ASP  89          1HB       ASP  89  -3.717  -3.749  16.251
  655   2HB   ASP  89          2HB       ASP  89  -2.904  -2.517  17.188
  656    H    ALA  90           H        ALA  90  -3.596  -4.118  14.029
  657    HA   ALA  90           HA       ALA  90  -6.171  -3.476  12.508
  658   1HB   ALA  90          1HB       ALA  90  -4.020  -5.641  12.116
  659   2HB   ALA  90          2HB       ALA  90  -5.621  -5.785  11.364
  660   3HB   ALA  90          3HB       ALA  90  -4.568  -4.409  10.952
   
  Start of MODEL          33
 Raw file had  660 H/Q atoms
  Start of MODEL   33
    1   1H    ALA   1          1H        ALA   1 -22.436  -1.594   3.060
    2   2H    ALA   1          2H        ALA   1 -21.817  -3.135   3.328
    3   3H    ALA   1          3H        ALA   1 -21.253  -1.833   4.231
    4    HA   ALA   1           HA       ALA   1 -19.574  -1.806   2.832
    5   1HB   ALA   1          1HB       ALA   1 -20.747  -4.024   1.840
    6   2HB   ALA   1          2HB       ALA   1 -21.096  -2.969   0.458
    7   3HB   ALA   1          3HB       ALA   1 -19.409  -3.243   0.964
    8    H    SER   2           H        SER   2 -19.458   0.351   2.659
    9    HA   SER   2           HA       SER   2 -20.557   1.735   0.216
   10   1HB   SER   2          1HB       SER   2 -21.631   2.333   2.989
   11   2HB   SER   2          2HB       SER   2 -21.430   3.669   1.854
   12    HG   SER   2           HG       SER   2 -23.385   2.883   1.458
   13    H    MET   3           H        MET   3 -18.351   1.887  -0.265
   14    HA   MET   3           HA       MET   3 -16.613   3.749   1.432
   15   1HB   MET   3          1HB       MET   3 -14.685   2.972   0.263
   16   2HB   MET   3          2HB       MET   3 -15.618   2.310  -1.067
   17   1HG   MET   3          1HG       MET   3 -15.367   1.132   1.766
   18   2HG   MET   3          2HG       MET   3 -16.574   0.556   0.605
   19   1HE   MET   3          1HE       MET   3 -16.219  -1.517   0.012
   20   2HE   MET   3          2HE       MET   3 -14.862  -2.200  -0.931
   21   3HE   MET   3          3HE       MET   3 -14.776  -2.163   0.854
   22    H    THR   4           H        THR   4 -18.232   5.397   0.797
   23    HA   THR   4           HA       THR   4 -18.422   6.473  -1.935
   24    HB   THR   4           HB       THR   4 -19.195   7.509   0.786
   25    HG1  THR   4           HG1      THR   4 -20.580   7.460  -1.669
   26   1HG2  THR   4          1HG2      THR   4 -19.989   9.672  -0.092
   27   2HG2  THR   4          2HG2      THR   4 -18.219   9.601  -0.241
   28   3HG2  THR   4          3HG2      THR   4 -19.247   9.374  -1.679
   29    H    ASP   5           H        ASP   5 -16.211   6.925   0.764
   30    HA   ASP   5           HA       ASP   5 -13.979   7.876  -0.878
   31   1HB   ASP   5          1HB       ASP   5 -13.760  10.234  -0.089
   32   2HB   ASP   5          2HB       ASP   5 -15.114   9.974  -1.165
   33    H    GLN   6           H        GLN   6 -14.300   5.889   0.923
   34    HA   GLN   6           HA       GLN   6 -13.516   6.566   3.719
   35   1HB   GLN   6          1HB       GLN   6 -14.702   4.352   2.589
   36   2HB   GLN   6          2HB       GLN   6 -13.047   3.777   2.686
   37   1HG   GLN   6          1HG       GLN   6 -15.019   4.256   4.881
   38   2HG   GLN   6          2HG       GLN   6 -13.422   4.869   5.258
   39   1HE2  GLN   6          1HE2      GLN   6 -13.521   0.784   4.402
   40   2HE2  GLN   6          2HE2      GLN   6 -14.302   2.000   3.272
   41    H    GLN   7           H        GLN   7 -11.902   5.552   0.750
   42    HA   GLN   7           HA       GLN   7  -9.214   4.965   1.871
   43   1HB   GLN   7          1HB       GLN   7  -8.405   4.970  -0.445
   44   2HB   GLN   7          2HB       GLN   7  -9.881   4.032  -0.296
   45   1HG   GLN   7          1HG       GLN   7 -11.141   6.191  -1.139
   46   2HG   GLN   7          2HG       GLN   7  -9.561   6.792  -1.600
   47   1HE2  GLN   7          1HE2      GLN   7 -10.227   5.167  -4.746
   48   2HE2  GLN   7          2HE2      GLN   7 -10.220   6.750  -3.818
   49    H    ALA   8           H        ALA   8 -10.867   7.806   0.540
   50    HA   ALA   8           HA       ALA   8  -8.528   9.597   0.324
   51   1HB   ALA   8          1HB       ALA   8 -10.559  11.381   0.413
   52   2HB   ALA   8          2HB       ALA   8 -10.223  10.396  -1.023
   53   3HB   ALA   8          3HB       ALA   8 -11.531   9.926   0.091
   54    H    GLU   9           H        GLU   9 -10.854   8.797   2.843
   55    HA   GLU   9           HA       GLU   9 -10.576  10.824   4.810
   56   1HB   GLU   9          1HB       GLU   9 -11.985   8.656   4.917
   57   2HB   GLU   9          2HB       GLU   9 -10.567   7.864   5.575
   58   1HG   GLU   9          1HG       GLU   9 -12.271  10.073   6.845
   59   2HG   GLU   9          2HG       GLU   9 -10.616   9.848   7.386
   60    H    ALA  10           H        ALA  10  -8.295   8.300   3.887
   61    HA   ALA  10           HA       ALA  10  -6.402   8.577   6.126
   62   1HB   ALA  10          1HB       ALA  10  -4.872   7.187   4.739
   63   2HB   ALA  10          2HB       ALA  10  -6.510   6.508   4.769
   64   3HB   ALA  10          3HB       ALA  10  -5.934   7.375   3.323
   65    NH1  ARG  11           NH1      ARG  11  -5.681  15.950  -2.182
   66    NH2  ARG  11           NH2      ARG  11  -6.473  14.185  -3.373
   67    H    ARG  11           H        ARG  11  -6.470   9.837   2.792
   68    HA   ARG  11           HA       ARG  11  -3.937  11.173   2.579
   69   1HB   ARG  11          1HB       ARG  11  -5.791  10.929   0.763
   70   2HB   ARG  11          2HB       ARG  11  -6.530  12.361   1.464
   71   1HG   ARG  11          1HG       ARG  11  -3.711  12.970   1.046
   72   2HG   ARG  11          2HG       ARG  11  -4.337  12.236  -0.433
   73   1HD   ARG  11          1HD       ARG  11  -4.557  14.868  -0.096
   74   2HD   ARG  11          2HD       ARG  11  -5.918  14.480   0.954
   75    HE   ARG  11           HE       ARG  11  -6.949  13.243  -1.109
   76   1HH1  ARG  11          1HH1      ARG  11  -5.669  16.448  -3.078
   77   2HH1  ARG  11          2HH1      ARG  11  -5.390  16.318  -1.270
   78   1HH2  ARG  11          1HH2      ARG  11  -6.814  13.217  -3.367
   79   2HH2  ARG  11          2HH2      ARG  11  -6.377  14.797  -4.191
   80    H    ALA  12           H        ALA  12  -7.028  12.430   3.845
   81    HA   ALA  12           HA       ALA  12  -6.417  15.120   4.491
   82   1HB   ALA  12          1HB       ALA  12  -8.130  15.001   6.290
   83   2HB   ALA  12          2HB       ALA  12  -8.674  14.155   4.828
   84   3HB   ALA  12          3HB       ALA  12  -8.109  13.221   6.236
   85    H    PHE  13           H        PHE  13  -5.710  12.217   6.443
   86    HA   PHE  13           HA       PHE  13  -4.612  13.594   8.791
   87   1HB   PHE  13          1HB       PHE  13  -4.593  10.714   7.812
   88   2HB   PHE  13          2HB       PHE  13  -5.379  11.397   9.212
   89    HD1  PHE  13           HD1      PHE  13  -2.016  10.413   7.822
   90    HD2  PHE  13           HD2      PHE  13  -4.212  11.470  11.370
   91    HE1  PHE  13           HE1      PHE  13  -0.155   9.621   9.225
   92    HE2  PHE  13           HE2      PHE  13  -2.344  10.666  12.754
   93    HZ   PHE  13           HZ       PHE  13  -0.310   9.754  11.688
   94    H    LEU  14           H        LEU  14  -3.161  12.065   5.926
   95    HA   LEU  14           HA       LEU  14  -0.334  12.713   6.632
   96   1HB   LEU  14          1HB       LEU  14  -1.191  12.023   3.793
   97   2HB   LEU  14          2HB       LEU  14   0.309  11.654   4.618
   98    HG   LEU  14           HG       LEU  14  -2.375  10.341   5.371
   99   1HD1  LEU  14          1HD1      LEU  14  -1.636   8.351   4.053
  100   2HD1  LEU  14          2HD1      LEU  14  -1.814   9.767   3.001
  101   3HD1  LEU  14          3HD1      LEU  14  -0.189   9.226   3.491
  102   1HD2  LEU  14          1HD2      LEU  14   0.528   9.533   6.069
  103   2HD2  LEU  14          2HD2      LEU  14  -0.676  10.202   7.198
  104   3HD2  LEU  14          3HD2      LEU  14  -0.936   8.605   6.481
  105    H    SER  15           H        SER  15   1.004  14.039   5.170
  106    HA   SER  15           HA       SER  15  -0.388  16.656   4.422
  107   1HB   SER  15          1HB       SER  15   2.239  17.367   4.451
  108   2HB   SER  15          2HB       SER  15   2.327  15.992   5.555
  109    HG   SER  15           HG       SER  15   0.310  17.959   5.788
  110    H    GLU  16           H        GLU  16   0.906  17.852   2.650
  111    HA   GLU  16           HA       GLU  16   0.717  16.310   0.119
  112   1HB   GLU  16          1HB       GLU  16   0.086  18.729   0.312
  113   2HB   GLU  16          2HB       GLU  16   1.115  18.330  -1.051
  114   1HG   GLU  16          1HG       GLU  16   3.128  19.244   0.252
  115   2HG   GLU  16          2HG       GLU  16   2.042  19.703   1.553
  116    H    GLU  17           H        GLU  17   3.348  17.935   1.881
  117    HA   GLU  17           HA       GLU  17   5.560  17.029   0.130
  118   1HB   GLU  17          1HB       GLU  17   5.828  19.032   1.529
  119   2HB   GLU  17          2HB       GLU  17   5.687  18.088   2.999
  120   1HG   GLU  17          1HG       GLU  17   8.062  18.561   1.280
  121   2HG   GLU  17          2HG       GLU  17   7.845  16.846   1.586
  122    H    MET  18           H        MET  18   3.976  15.783   3.020
  123    HA   MET  18           HA       MET  18   5.859  13.665   3.766
  124   1HB   MET  18          1HB       MET  18   4.222  14.304   5.410
  125   2HB   MET  18          2HB       MET  18   2.875  14.036   4.319
  126   1HG   MET  18          1HG       MET  18   3.617  11.483   4.334
  127   2HG   MET  18          2HG       MET  18   2.752  12.149   5.728
  128   1HE   MET  18          1HE       MET  18   4.823   9.410   6.636
  129   2HE   MET  18          2HE       MET  18   4.719  10.358   8.149
  130   3HE   MET  18          3HE       MET  18   3.326  10.312   7.030
  131    H    ILE  19           H        ILE  19   3.189  13.876   1.473
  132    HA   ILE  19           HA       ILE  19   2.893  11.020   0.833
  133    HB   ILE  19           HB       ILE  19   2.068  13.531  -0.688
  134   1HG1  ILE  19          1HG1      ILE  19   0.205  13.406   0.616
  135   2HG1  ILE  19          2HG1      ILE  19  -0.206  11.899  -0.173
  136   1HG2  ILE  19          1HG2      ILE  19   0.867  12.098  -2.355
  137   2HG2  ILE  19          2HG2      ILE  19   2.601  11.790  -2.423
  138   3HG2  ILE  19          3HG2      ILE  19   1.533  10.627  -1.605
  139   1HD1  ILE  19          1HD1      ILE  19   1.373  12.094   2.458
  140   2HD1  ILE  19          2HD1      ILE  19  -0.299  11.541   2.230
  141   3HD1  ILE  19          3HD1      ILE  19   1.047  10.577   1.577
  142    H    ALA  20           H        ALA  20   4.763  13.692  -0.605
  143    HA   ALA  20           HA       ALA  20   5.879  12.393  -2.909
  144   1HB   ALA  20          1HB       ALA  20   7.858  14.103  -2.501
  145   2HB   ALA  20          2HB       ALA  20   6.231  14.710  -2.867
  146   3HB   ALA  20          3HB       ALA  20   6.831  14.731  -1.189
  147    H    GLU  21           H        GLU  21   6.947  12.378   0.472
  148    HA   GLU  21           HA       GLU  21   9.561  11.051   0.004
  149   1HB   GLU  21          1HB       GLU  21   8.000  11.573   2.584
  150   2HB   GLU  21          2HB       GLU  21   9.298  12.541   1.914
  151   1HG   GLU  21          1HG       GLU  21  10.658  10.154   2.183
  152   2HG   GLU  21          2HG       GLU  21   9.443   9.917   3.427
  153    H    PHE  22           H        PHE  22   6.300  10.047   0.888
  154    HA   PHE  22           HA       PHE  22   6.789   7.297   1.749
  155   1HB   PHE  22          1HB       PHE  22   4.399   8.883   0.903
  156   2HB   PHE  22          2HB       PHE  22   4.258   7.185   0.530
  157    HD1  PHE  22           HD1      PHE  22   5.578   5.812   2.833
  158    HD2  PHE  22           HD2      PHE  22   3.123   9.348   2.830
  159    HE1  PHE  22           HE1      PHE  22   4.901   5.357   5.153
  160    HE2  PHE  22           HE2      PHE  22   2.453   8.870   5.150
  161    HZ   PHE  22           HZ       PHE  22   3.345   6.884   6.318
  162    H    LYS  23           H        LYS  23   5.922   8.681  -1.425
  163    HA   LYS  23           HA       LYS  23   5.807   6.242  -3.000
  164   1HB   LYS  23          1HB       LYS  23   5.218   8.805  -3.605
  165   2HB   LYS  23          2HB       LYS  23   5.470   7.577  -4.827
  166   1HG   LYS  23          1HG       LYS  23   7.770   9.372  -3.877
  167   2HG   LYS  23          2HG       LYS  23   7.715   8.389  -5.327
  168   1HD   LYS  23          1HD       LYS  23   5.550  10.052  -5.834
  169   2HD   LYS  23          2HD       LYS  23   6.490  11.095  -4.780
  170   1HE   LYS  23          1HE       LYS  23   8.294  11.314  -6.283
  171   2HE   LYS  23          2HE       LYS  23   7.983   9.776  -7.091
  172   1HZ   LYS  23          1HZ       LYS  23   7.205  11.291  -8.615
  173   2HZ   LYS  23          2HZ       LYS  23   5.790  11.006  -7.813
  174   3HZ   LYS  23          3HZ       LYS  23   6.658  12.375  -7.494
  175    H    ALA  24           H        ALA  24   8.493   8.252  -1.936
  176    HA   ALA  24           HA       ALA  24  10.719   7.463  -3.491
  177   1HB   ALA  24          1HB       ALA  24  12.142   7.826  -1.483
  178   2HB   ALA  24          2HB       ALA  24  10.901   9.085  -1.626
  179   3HB   ALA  24          3HB       ALA  24  10.713   7.784  -0.423
  180    H    ALA  25           H        ALA  25   9.622   5.777  -0.524
  181    HA   ALA  25           HA       ALA  25  11.478   3.493  -0.791
  182   1HB   ALA  25          1HB       ALA  25  10.242   2.529   1.141
  183   2HB   ALA  25          2HB       ALA  25  10.652   4.231   1.426
  184   3HB   ALA  25          3HB       ALA  25   8.982   3.779   1.000
  185    H    PHE  26           H        PHE  26   8.146   4.134  -1.721
  186    HA   PHE  26           HA       PHE  26   7.212   1.458  -2.413
  187   1HB   PHE  26          1HB       PHE  26   6.407   4.073  -3.817
  188   2HB   PHE  26          2HB       PHE  26   5.805   3.605  -2.249
  189    HD1  PHE  26           HD1      PHE  26   6.265   0.594  -4.159
  190    HD2  PHE  26           HD2      PHE  26   3.600   3.947  -3.753
  191    HE1  PHE  26           HE1      PHE  26   4.489  -0.665  -5.308
  192    HE2  PHE  26           HE2      PHE  26   1.823   2.657  -4.866
  193    HZ   PHE  26           HZ       PHE  26   2.268   0.361  -5.662
  194    H    ASP  27           H        ASP  27   9.321   3.762  -4.023
  195    HA   ASP  27           HA       ASP  27   9.213   2.492  -6.726
  196   1HB   ASP  27          1HB       ASP  27  10.727   4.855  -5.566
  197   2HB   ASP  27          2HB       ASP  27  11.357   4.101  -7.013
  198    H    MET  28           H        MET  28  11.166   2.263  -3.839
  199    HA   MET  28           HA       MET  28  13.650   1.174  -4.629
  200   1HB   MET  28          1HB       MET  28  12.388   1.350  -2.179
  201   2HB   MET  28          2HB       MET  28  12.362  -0.389  -2.408
  202   1HG   MET  28          1HG       MET  28  15.008   1.092  -2.830
  203   2HG   MET  28          2HG       MET  28  14.428   0.779  -1.186
  204   1HE   MET  28          1HE       MET  28  14.044  -2.338  -0.345
  205   2HE   MET  28          2HE       MET  28  15.831  -2.374  -0.377
  206   3HE   MET  28          3HE       MET  28  14.978  -0.863   0.055
  207    H    PHE  29           H        PHE  29  10.602  -0.651  -4.219
  208    HA   PHE  29           HA       PHE  29  11.755  -3.114  -5.591
  209   1HB   PHE  29          1HB       PHE  29   8.907  -2.763  -4.461
  210   2HB   PHE  29          2HB       PHE  29   9.625  -4.241  -5.040
  211    HD1  PHE  29           HD1      PHE  29  12.481  -3.512  -3.652
  212    HD2  PHE  29           HD2      PHE  29   8.426  -3.842  -2.246
  213    HE1  PHE  29           HE1      PHE  29  13.295  -4.031  -1.387
  214    HE2  PHE  29           HE2      PHE  29   9.262  -4.374   0.006
  215    HZ   PHE  29           HZ       PHE  29  11.691  -4.461   0.442
  216    H    ASP  30           H        ASP  30   9.333  -0.563  -5.989
  217    HA   ASP  30           HA       ASP  30   8.420  -1.528  -8.677
  218   1HB   ASP  30          1HB       ASP  30   7.022  -0.180  -6.847
  219   2HB   ASP  30          2HB       ASP  30   7.727   1.233  -7.598
  220    H    ALA  31           H        ALA  31  10.445  -1.573  -9.722
  221    HA   ALA  31           HA       ALA  31  12.079   0.893 -10.170
  222   1HB   ALA  31          1HB       ALA  31  13.477  -0.577 -11.630
  223   2HB   ALA  31          2HB       ALA  31  13.182  -1.315 -10.043
  224   3HB   ALA  31          3HB       ALA  31  12.297  -1.901 -11.476
  225    H    ASP  32           H        ASP  32  10.752  -1.338 -12.604
  226    HA   ASP  32           HA       ASP  32   9.587   1.003 -14.190
  227   1HB   ASP  32          1HB       ASP  32  11.027  -1.350 -15.536
  228   2HB   ASP  32          2HB       ASP  32  11.805   0.174 -15.177
  229    H    GLY  33           H        GLY  33   8.281  -0.621 -12.309
  230   1HA   GLY  33          1HA       GLY  33   6.874  -2.986 -13.365
  231   2HA   GLY  33          2HA       GLY  33   6.350  -2.017 -11.984
  232    H    GLY  34           H        GLY  34   5.210  -0.003 -12.402
  233   1HA   GLY  34          1HA       GLY  34   4.224   1.070 -14.877
  234   2HA   GLY  34          2HA       GLY  34   3.124  -0.264 -14.518
  235    H    GLY  35           H        GLY  35   3.417   0.031 -11.608
  236   1HA   GLY  35          1HA       GLY  35   1.171   1.942 -11.128
  237   2HA   GLY  35          2HA       GLY  35   2.685   2.568 -10.472
  238    H    ASP  36           H        ASP  36   1.750  -0.835 -10.677
  239    HA   ASP  36           HA       ASP  36   1.415  -0.973  -7.637
  240   1HB   ASP  36          1HB       ASP  36  -0.408  -2.317  -7.829
  241   2HB   ASP  36          2HB       ASP  36  -0.546  -1.537  -9.390
  242    H    ILE  37           H        ILE  37   1.946  -3.130  -6.723
  243    HA   ILE  37           HA       ILE  37   4.250  -4.608  -8.084
  244    HB   ILE  37           HB       ILE  37   5.623  -4.596  -6.042
  245   1HG1  ILE  37          1HG1      ILE  37   4.240  -2.198  -4.811
  246   2HG1  ILE  37          2HG1      ILE  37   3.421  -3.728  -4.588
  247   1HG2  ILE  37          1HG2      ILE  37   6.587  -2.310  -6.329
  248   2HG2  ILE  37          2HG2      ILE  37   6.093  -2.964  -7.897
  249   3HG2  ILE  37          3HG2      ILE  37   5.087  -1.734  -7.096
  250   1HD1  ILE  37          1HD1      ILE  37   6.299  -3.162  -3.671
  251   2HD1  ILE  37          2HD1      ILE  37   4.851  -3.351  -2.659
  252   3HD1  ILE  37          3HD1      ILE  37   5.488  -4.748  -3.557
  253    H    SER  38           H        SER  38   4.806  -6.342  -6.045
  254    HA   SER  38           HA       SER  38   2.331  -8.066  -5.906
  255   1HB   SER  38          1HB       SER  38   5.056  -8.637  -6.205
  256   2HB   SER  38          2HB       SER  38   4.751  -9.101  -4.529
  257    HG   SER  38           HG       SER  38   3.091  -9.843  -6.708
  258    H    THR  39           H        THR  39   1.405  -8.781  -4.014
  259    HA   THR  39           HA       THR  39   1.501  -6.903  -1.664
  260    HB   THR  39           HB       THR  39  -0.440  -8.291  -0.788
  261    HG1  THR  39           HG1      THR  39  -1.451  -9.469  -2.594
  262   1HG2  THR  39          1HG2      THR  39  -2.134  -7.360  -2.302
  263   2HG2  THR  39          2HG2      THR  39  -0.846  -6.154  -2.081
  264   3HG2  THR  39          3HG2      THR  39  -0.933  -7.102  -3.588
  265    H    LYS  40           H        LYS  40   3.600  -9.130  -2.392
  266    HA   LYS  40           HA       LYS  40   3.457 -10.992  -0.013
  267   1HB   LYS  40          1HB       LYS  40   4.816 -11.014  -2.639
  268   2HB   LYS  40          2HB       LYS  40   5.951 -11.388  -1.359
  269   1HG   LYS  40          1HG       LYS  40   4.921 -13.416  -0.826
  270   2HG   LYS  40          2HG       LYS  40   3.312 -12.863  -1.247
  271   1HD   LYS  40          1HD       LYS  40   4.192 -14.668  -2.796
  272   2HD   LYS  40          2HD       LYS  40   3.681 -13.201  -3.616
  273   1HE   LYS  40          1HE       LYS  40   5.841 -12.586  -4.283
  274   2HE   LYS  40          2HE       LYS  40   6.635 -13.356  -2.907
  275   1HZ   LYS  40          1HZ       LYS  40   6.600 -15.398  -3.957
  276   2HZ   LYS  40          2HZ       LYS  40   5.268 -15.075  -4.879
  277   3HZ   LYS  40          3HZ       LYS  40   6.729 -14.416  -5.279
  278    H    GLU  41           H        GLU  41   5.296  -8.257  -1.266
  279    HA   GLU  41           HA       GLU  41   7.169  -8.178   1.117
  280   1HB   GLU  41          1HB       GLU  41   8.560  -6.785  -0.077
  281   2HB   GLU  41          2HB       GLU  41   7.262  -5.980  -0.935
  282   1HG   GLU  41          1HG       GLU  41   7.073  -7.772  -2.574
  283   2HG   GLU  41          2HG       GLU  41   7.994  -8.894  -1.587
  284    H    LEU  42           H        LEU  42   4.399  -6.471  -0.277
  285    HA   LEU  42           HA       LEU  42   4.129  -4.128   1.242
  286   1HB   LEU  42          1HB       LEU  42   2.440  -5.218  -0.455
  287   2HB   LEU  42          2HB       LEU  42   1.745  -6.033   0.930
  288    HG   LEU  42           HG       LEU  42   1.165  -3.850   1.996
  289   1HD1  LEU  42          1HD1      LEU  42   0.180  -3.878  -0.927
  290   2HD1  LEU  42          2HD1      LEU  42  -0.433  -4.968   0.326
  291   3HD1  LEU  42          3HD1      LEU  42  -0.669  -3.210   0.491
  292   1HD2  LEU  42          1HD2      LEU  42   1.517  -1.674   0.884
  293   2HD2  LEU  42          2HD2      LEU  42   3.096  -2.487   1.022
  294   3HD2  LEU  42          3HD2      LEU  42   2.252  -2.461  -0.537
  295    H    GLY  43           H        GLY  43   4.733  -3.955   3.276
  296   1HA   GLY  43          1HA       GLY  43   3.819  -4.441   5.770
  297   2HA   GLY  43          2HA       GLY  43   4.114  -6.138   5.334
  298    H    THR  44           H        THR  44   6.324  -6.619   4.410
  299    HA   THR  44           HA       THR  44   8.530  -6.085   6.048
  300    HB   THR  44           HB       THR  44   8.409  -6.825   3.121
  301    HG1  THR  44           HG1      THR  44   8.897  -7.973   5.586
  302   1HG2  THR  44          1HG2      THR  44  10.882  -7.191   3.070
  303   2HG2  THR  44          2HG2      THR  44  10.491  -5.463   3.188
  304   3HG2  THR  44          3HG2      THR  44  11.052  -6.348   4.630
  305    H    VAL  45           H        VAL  45   7.166  -4.131   3.457
  306    HA   VAL  45           HA       VAL  45   9.378  -2.257   3.004
  307    HB   VAL  45           HB       VAL  45   6.420  -1.644   2.523
  308   1HG1  VAL  45          1HG1      VAL  45   8.333  -2.965   0.498
  309   2HG1  VAL  45          2HG1      VAL  45   7.146  -3.870   1.446
  310   3HG1  VAL  45          3HG1      VAL  45   6.593  -2.630   0.297
  311   1HG2  VAL  45          1HG2      VAL  45   7.153  -0.077   0.801
  312   2HG2  VAL  45          2HG2      VAL  45   8.082   0.320   2.265
  313   3HG2  VAL  45          3HG2      VAL  45   8.855  -0.583   0.954
  314    H    MET  46           H        MET  46   6.413  -2.080   4.996
  315    HA   MET  46           HA       MET  46   6.772   0.541   6.166
  316   1HB   MET  46          1HB       MET  46   5.376  -1.907   7.397
  317   2HB   MET  46          2HB       MET  46   5.310  -0.290   8.073
  318   1HG   MET  46          1HG       MET  46   3.917   0.553   6.342
  319   2HG   MET  46          2HG       MET  46   4.456  -0.654   5.164
  320   1HE   MET  46          1HE       MET  46   1.996  -1.899   8.929
  321   2HE   MET  46          2HE       MET  46   3.694  -2.433   8.748
  322   3HE   MET  46          3HE       MET  46   3.317  -0.689   8.870
  323    NH1  ARG  47           NH1      ARG  47  14.129  -6.746   9.277
  324    NH2  ARG  47           NH2      ARG  47  14.203  -6.194  11.479
  325    H    ARG  47           H        ARG  47   8.123  -2.606   6.997
  326    HA   ARG  47           HA       ARG  47   9.211  -1.962   9.663
  327   1HB   ARG  47          1HB       ARG  47   8.969  -4.283   9.259
  328   2HB   ARG  47          2HB       ARG  47   9.679  -4.193   7.653
  329   1HG   ARG  47          1HG       ARG  47  11.267  -3.858  10.270
  330   2HG   ARG  47          2HG       ARG  47  11.958  -3.754   8.649
  331   1HD   ARG  47          1HD       ARG  47  11.838  -6.062   8.263
  332   2HD   ARG  47          2HD       ARG  47  10.362  -6.270   9.201
  333    HE   ARG  47           HE       ARG  47  11.690  -6.467  11.260
  334   1HH1  ARG  47          1HH1      ARG  47  15.209  -6.382  11.411
  335   2HH1  ARG  47          2HH1      ARG  47  13.692  -5.871  12.309
  336   1HH2  ARG  47          1HH2      ARG  47  13.572  -6.816   8.418
  337   2HH2  ARG  47          2HH2      ARG  47  15.136  -6.926   9.372
  338    H    MET  48           H        MET  48  10.588  -2.002   6.380
  339    HA   MET  48           HA       MET  48  13.300  -1.077   7.251
  340   1HB   MET  48          1HB       MET  48  12.424  -1.003   4.334
  341   2HB   MET  48          2HB       MET  48  12.598  -2.556   5.133
  342   1HG   MET  48          1HG       MET  48  14.901  -0.526   5.235
  343   2HG   MET  48          2HG       MET  48  14.965  -2.279   5.477
  344   1HE   MET  48          1HE       MET  48  17.088  -1.765   2.376
  345   2HE   MET  48          2HE       MET  48  16.470  -0.094   2.541
  346   3HE   MET  48          3HE       MET  48  16.943  -1.017   3.998
  347    H    LEU  49           H        LEU  49  10.431   0.535   7.122
  348    HA   LEU  49           HA       LEU  49  11.549   3.188   6.134
  349   1HB   LEU  49          1HB       LEU  49   8.753   2.234   6.914
  350   2HB   LEU  49          2HB       LEU  49   9.118   3.946   6.921
  351    HG   LEU  49           HG       LEU  49   9.692   2.275   4.415
  352   1HD1  LEU  49          1HD1      LEU  49   7.404   2.800   3.557
  353   2HD1  LEU  49          2HD1      LEU  49   7.310   1.793   5.013
  354   3HD1  LEU  49          3HD1      LEU  49   6.958   3.536   5.117
  355   1HD2  LEU  49          1HD2      LEU  49   8.996   5.265   4.795
  356   2HD2  LEU  49          2HD2      LEU  49  10.605   4.602   4.418
  357   3HD2  LEU  49          3HD2      LEU  49   9.297   4.460   3.235
  358    H    GLY  50           H        GLY  50  10.515   1.447   9.023
  359   1HA   GLY  50          1HA       GLY  50  12.238   2.136  11.001
  360   2HA   GLY  50          2HA       GLY  50  11.465   3.716  10.842
  361    H    GLN  51           H        GLN  51  10.527   0.289  11.158
  362    HA   GLN  51           HA       GLN  51   8.578   1.016  13.417
  363   1HB   GLN  51          1HB       GLN  51   7.739   0.138  10.861
  364   2HB   GLN  51          2HB       GLN  51   7.722  -1.331  11.821
  365   1HG   GLN  51          1HG       GLN  51   5.522  -0.441  12.020
  366   2HG   GLN  51          2HG       GLN  51   6.278  -0.131  13.570
  367   1HE2  GLN  51          1HE2      GLN  51   4.490   2.990  12.122
  368   2HE2  GLN  51          2HE2      GLN  51   4.006   1.250  12.448
  369    H    ASN  52           H        ASN  52   7.872  -1.824  13.649
  370    HA   ASN  52           HA       ASN  52  10.387  -3.292  14.326
  371   1HB   ASN  52          1HB       ASN  52   8.694  -2.849  16.782
  372   2HB   ASN  52          2HB       ASN  52   9.637  -1.476  16.243
  373   1HD2  ASN  52          1HD2      ASN  52  11.550  -3.834  18.652
  374   2HD2  ASN  52          2HD2      ASN  52   9.932  -2.970  18.685
  375    HA   PRO  53           HA       PRO  53   6.252  -5.765  14.145
  376   1HB   PRO  53          1HB       PRO  53   5.301  -4.421  12.437
  377   2HB   PRO  53          2HB       PRO  53   5.536  -5.933  11.541
  378   1HG   PRO  53          1HG       PRO  53   7.416  -5.211  10.387
  379   2HG   PRO  53          2HG       PRO  53   6.705  -3.601  10.644
  380   1HD   PRO  53          1HD       PRO  53   9.236  -4.608  11.670
  381   2HD   PRO  53          2HD       PRO  53   8.462  -3.052  12.095
  382    H    THR  54           H        THR  54   5.625  -7.857  12.759
  383    HA   THR  54           HA       THR  54   8.097  -9.647  12.573
  384    HB   THR  54           HB       THR  54   5.511 -11.074  12.713
  385    HG1  THR  54           HG1      THR  54   5.590 -10.574  15.086
  386   1HG2  THR  54          1HG2      THR  54   6.652 -12.395  14.466
  387   2HG2  THR  54          2HG2      THR  54   7.716 -12.231  13.051
  388   3HG2  THR  54          3HG2      THR  54   8.012 -11.248  14.507
  389    H    LYS  55           H        LYS  55   8.097 -11.277  10.927
  390    HA   LYS  55           HA       LYS  55   7.179 -10.355   8.241
  391   1HB   LYS  55          1HB       LYS  55   8.491 -12.066   7.305
  392   2HB   LYS  55          2HB       LYS  55   9.387 -11.616   8.741
  393   1HG   LYS  55          1HG       LYS  55   7.469 -14.017   8.678
  394   2HG   LYS  55          2HG       LYS  55   8.622 -13.632   9.940
  395   1HD   LYS  55          1HD       LYS  55   9.266 -14.600   7.082
  396   2HD   LYS  55          2HD       LYS  55  10.489 -13.928   8.148
  397   1HE   LYS  55          1HE       LYS  55   9.084 -16.597   8.341
  398   2HE   LYS  55          2HE       LYS  55  10.778 -16.202   8.635
  399   1HZ   LYS  55          1HZ       LYS  55   9.918 -16.622  10.736
  400   2HZ   LYS  55          2HZ       LYS  55   9.839 -14.972  10.699
  401   3HZ   LYS  55          3HZ       LYS  55   8.473 -15.870  10.459
  402    H    GLU  56           H        GLU  56   6.259 -12.782  10.629
  403    HA   GLU  56           HA       GLU  56   4.267 -14.266   9.094
  404   1HB   GLU  56          1HB       GLU  56   3.875 -13.902  12.072
  405   2HB   GLU  56          2HB       GLU  56   5.357 -14.664  11.529
  406   1HG   GLU  56          1HG       GLU  56   2.481 -15.667  11.228
  407   2HG   GLU  56          2HG       GLU  56   3.701 -16.242  10.104
  408    H    GLU  57           H        GLU  57   4.177 -11.249  10.905
  409    HA   GLU  57           HA       GLU  57   1.280 -10.737  10.907
  410   1HB   GLU  57          1HB       GLU  57   1.809  -8.370  11.302
  411   2HB   GLU  57          2HB       GLU  57   3.483  -8.611  10.846
  412   1HG   GLU  57          1HG       GLU  57   3.626 -10.304  12.862
  413   2HG   GLU  57          2HG       GLU  57   3.594  -8.582  13.202
  414    H    LEU  58           H        LEU  58   3.888 -10.188   8.582
  415    HA   LEU  58           HA       LEU  58   2.539  -8.602   6.571
  416   1HB   LEU  58          1HB       LEU  58   5.046  -9.335   6.693
  417   2HB   LEU  58          2HB       LEU  58   4.552 -10.819   5.907
  418    HG   LEU  58           HG       LEU  58   4.305  -7.979   4.738
  419   1HD1  LEU  58          1HD1      LEU  58   3.542 -10.606   3.315
  420   2HD1  LEU  58          2HD1      LEU  58   2.359  -9.514   4.049
  421   3HD1  LEU  58          3HD1      LEU  58   3.361  -8.946   2.692
  422   1HD2  LEU  58          1HD2      LEU  58   6.013  -8.693   3.103
  423   2HD2  LEU  58          2HD2      LEU  58   6.644  -9.006   4.739
  424   3HD2  LEU  58          3HD2      LEU  58   6.024 -10.349   3.761
  425    H    ASP  59           H        ASP  59   2.470 -12.047   7.296
  426    HA   ASP  59           HA       ASP  59   1.079 -12.974   4.881
  427   1HB   ASP  59          1HB       ASP  59   1.292 -14.334   7.628
  428   2HB   ASP  59          2HB       ASP  59   0.569 -15.074   6.218
  429    H    ALA  60           H        ALA  60   0.011 -11.897   8.083
  430    HA   ALA  60           HA       ALA  60  -2.860 -12.440   7.909
  431   1HB   ALA  60          1HB       ALA  60  -3.105 -10.700   9.674
  432   2HB   ALA  60          2HB       ALA  60  -1.774 -11.814  10.043
  433   3HB   ALA  60          3HB       ALA  60  -1.421 -10.176   9.436
  434    H    ILE  61           H        ILE  61  -0.944  -9.525   7.103
  435    HA   ILE  61           HA       ILE  61  -2.898  -7.752   6.112
  436    HB   ILE  61           HB       ILE  61   0.017  -8.083   5.527
  437   1HG1  ILE  61          1HG1      ILE  61  -0.164  -5.460   5.908
  438   2HG1  ILE  61          2HG1      ILE  61  -1.799  -5.778   6.447
  439   1HG2  ILE  61          1HG2      ILE  61   0.051  -6.376   3.689
  440   2HG2  ILE  61          2HG2      ILE  61  -0.833  -7.815   3.185
  441   3HG2  ILE  61          3HG2      ILE  61  -1.729  -6.351   3.654
  442   1HD1  ILE  61          1HD1      ILE  61   0.714  -6.929   7.795
  443   2HD1  ILE  61          2HD1      ILE  61  -0.366  -5.659   8.408
  444   3HD1  ILE  61          3HD1      ILE  61  -0.964  -7.328   8.255
  445    H    ILE  62           H        ILE  62  -1.519 -10.647   4.675
  446    HA   ILE  62           HA       ILE  62  -2.509 -10.292   1.910
  447    HB   ILE  62           HB       ILE  62  -0.696 -12.020   3.088
  448   1HG1  ILE  62          1HG1      ILE  62  -0.770 -13.225   0.705
  449   2HG1  ILE  62          2HG1      ILE  62  -1.975 -12.023   0.295
  450   1HG2  ILE  62          1HG2      ILE  62  -1.475 -14.373   2.703
  451   2HG2  ILE  62          2HG2      ILE  62  -2.477 -13.586   3.919
  452   3HG2  ILE  62          3HG2      ILE  62  -3.098 -13.785   2.265
  453   1HD1  ILE  62          1HD1      ILE  62   0.915 -11.359   1.112
  454   2HD1  ILE  62          2HD1      ILE  62   0.181 -11.229  -0.500
  455   3HD1  ILE  62          3HD1      ILE  62  -0.361 -10.149   0.805
  456    H    GLU  63           H        GLU  63  -3.647 -12.118   4.753
  457    HA   GLU  63           HA       GLU  63  -5.997 -13.343   3.558
  458   1HB   GLU  63          1HB       GLU  63  -5.122 -12.835   6.401
  459   2HB   GLU  63          2HB       GLU  63  -5.386 -14.346   5.554
  460   1HG   GLU  63          1HG       GLU  63  -7.916 -13.924   5.670
  461   2HG   GLU  63          2HG       GLU  63  -7.601 -12.465   6.594
  462    H    GLU  64           H        GLU  64  -5.416 -10.121   4.791
  463    HA   GLU  64           HA       GLU  64  -8.279  -9.356   5.116
  464   1HB   GLU  64          1HB       GLU  64  -5.631  -7.957   5.509
  465   2HB   GLU  64          2HB       GLU  64  -7.042  -6.948   5.261
  466   1HG   GLU  64          1HG       GLU  64  -6.422  -7.446   7.711
  467   2HG   GLU  64          2HG       GLU  64  -6.873  -9.121   7.447
  468    H    VAL  65           H        VAL  65  -5.664  -8.575   2.817
  469    HA   VAL  65           HA       VAL  65  -7.416  -6.801   1.140
  470    HB   VAL  65           HB       VAL  65  -4.686  -6.811   1.621
  471   1HG1  VAL  65          1HG1      VAL  65  -6.014  -5.382  -0.770
  472   2HG1  VAL  65          2HG1      VAL  65  -6.218  -4.874   0.917
  473   3HG1  VAL  65          3HG1      VAL  65  -4.602  -4.841   0.172
  474   1HG2  VAL  65          1HG2      VAL  65  -3.439  -7.218  -0.444
  475   2HG2  VAL  65          2HG2      VAL  65  -4.367  -8.701  -0.118
  476   3HG2  VAL  65          3HG2      VAL  65  -4.922  -7.573  -1.362
  477    H    ASP  66           H        ASP  66  -5.386  -9.682   0.429
  478    HA   ASP  66           HA       ASP  66  -7.234 -10.528  -1.811
  479   1HB   ASP  66          1HB       ASP  66  -4.514 -10.644  -1.697
  480   2HB   ASP  66          2HB       ASP  66  -4.856 -12.232  -1.050
  481    H    GLU  67           H        GLU  67  -8.709 -10.589   0.284
  482    HA   GLU  67           HA       GLU  67  -8.791 -13.138   1.824
  483   1HB   GLU  67          1HB       GLU  67  -9.852 -11.093   2.711
  484   2HB   GLU  67          2HB       GLU  67 -10.978 -11.042   1.370
  485   1HG   GLU  67          1HG       GLU  67 -11.661 -13.516   2.268
  486   2HG   GLU  67          2HG       GLU  67 -10.933 -12.941   3.758
  487    H    ASP  68           H        ASP  68 -10.244 -11.856  -1.140
  488    HA   ASP  68           HA       ASP  68 -11.344 -14.627  -1.840
  489   1HB   ASP  68          1HB       ASP  68 -13.293 -13.367  -1.725
  490   2HB   ASP  68          2HB       ASP  68 -12.525 -11.878  -2.226
  491    H    GLY  69           H        GLY  69 -10.354 -11.601  -3.499
  492   1HA   GLY  69          1HA       GLY  69  -8.397 -13.059  -5.287
  493   2HA   GLY  69          2HA       GLY  69  -9.831 -12.460  -6.127
  494    H    SER  70           H        SER  70  -7.829 -11.367  -7.139
  495    HA   SER  70           HA       SER  70  -6.887  -9.219  -7.758
  496   1HB   SER  70          1HB       SER  70  -7.999  -7.870  -5.277
  497   2HB   SER  70          2HB       SER  70  -9.121  -8.393  -6.537
  498    HG   SER  70           HG       SER  70  -8.402  -6.328  -6.931
  499    H    GLY  71           H        GLY  71  -4.887 -10.233  -7.349
  500   1HA   GLY  71          1HA       GLY  71  -2.935 -10.908  -5.920
  501   2HA   GLY  71          2HA       GLY  71  -3.583  -9.904  -4.619
  502    H    THR  72           H        THR  72  -4.151  -7.596  -6.216
  503    HA   THR  72           HA       THR  72  -1.326  -6.541  -6.653
  504    HB   THR  72           HB       THR  72  -2.330  -4.914  -8.387
  505    HG1  THR  72           HG1      THR  72  -4.154  -6.945  -8.906
  506   1HG2  THR  72          1HG2      THR  72  -0.812  -6.992  -8.965
  507   2HG2  THR  72          2HG2      THR  72  -2.318  -7.767  -9.501
  508   3HG2  THR  72          3HG2      THR  72  -1.766  -6.257 -10.272
  509    H    ILE  73           H        ILE  73  -0.932  -4.491  -5.911
  510    HA   ILE  73           HA       ILE  73  -3.128  -2.954  -4.528
  511    HB   ILE  73           HB       ILE  73  -2.066  -4.609  -2.891
  512   1HG1  ILE  73          1HG1      ILE  73  -2.690  -3.277  -1.087
  513   2HG1  ILE  73          2HG1      ILE  73  -3.496  -2.477  -2.424
  514   1HG2  ILE  73          1HG2      ILE  73   0.012  -4.026  -1.696
  515   2HG2  ILE  73          2HG2      ILE  73   0.380  -4.230  -3.414
  516   3HG2  ILE  73          3HG2      ILE  73   0.267  -2.594  -2.720
  517   1HD1  ILE  73          1HD1      ILE  73  -1.562  -1.314  -0.573
  518   2HD1  ILE  73          2HD1      ILE  73  -0.934  -1.177  -2.229
  519   3HD1  ILE  73          3HD1      ILE  73  -2.535  -0.507  -1.833
  520    H    ASP  74           H        ASP  74  -2.899  -0.818  -4.657
  521    HA   ASP  74           HA       ASP  74  -0.477   0.267  -6.180
  522   1HB   ASP  74          1HB       ASP  74  -1.895   2.021  -7.099
  523   2HB   ASP  74          2HB       ASP  74  -2.571   0.448  -7.453
  524    H    PHE  75           H        PHE  75  -0.629   2.884  -5.778
  525    HA   PHE  75           HA       PHE  75   0.582   3.158  -3.077
  526   1HB   PHE  75          1HB       PHE  75   0.109   5.281  -5.251
  527   2HB   PHE  75          2HB       PHE  75   1.523   4.268  -5.129
  528    HD1  PHE  75           HD1      PHE  75   1.628   4.470  -1.910
  529    HD2  PHE  75           HD2      PHE  75   1.269   7.409  -5.033
  530    HE1  PHE  75           HE1      PHE  75   2.775   6.127  -0.498
  531    HE2  PHE  75           HE2      PHE  75   2.454   9.040  -3.619
  532    HZ   PHE  75           HZ       PHE  75   3.145   8.426  -1.329
  533    H    GLU  76           H        GLU  76  -2.516   3.815  -4.545
  534    HA   GLU  76           HA       GLU  76  -3.598   5.748  -2.617
  535   1HB   GLU  76          1HB       GLU  76  -4.999   3.792  -4.506
  536   2HB   GLU  76          2HB       GLU  76  -5.884   4.870  -3.446
  537   1HG   GLU  76          1HG       GLU  76  -5.853   6.089  -5.460
  538   2HG   GLU  76          2HG       GLU  76  -4.260   5.520  -5.927
  539    H    GLU  77           H        GLU  77  -4.480   2.307  -2.991
  540    HA   GLU  77           HA       GLU  77  -5.598   1.833  -0.347
  541   1HB   GLU  77          1HB       GLU  77  -4.531   0.033  -2.513
  542   2HB   GLU  77          2HB       GLU  77  -4.631  -0.655  -0.904
  543   1HG   GLU  77          1HG       GLU  77  -7.119   0.024  -0.832
  544   2HG   GLU  77          2HG       GLU  77  -6.975   0.567  -2.496
  545    H    PHE  78           H        PHE  78  -2.300   2.026  -1.510
  546    HA   PHE  78           HA       PHE  78  -0.868   0.690   0.631
  547   1HB   PHE  78          1HB       PHE  78  -0.010   2.919  -1.288
  548   2HB   PHE  78          2HB       PHE  78   0.282   1.207  -1.443
  549    HD1  PHE  78           HD1      PHE  78   1.986   0.090   0.165
  550    HD2  PHE  78           HD2      PHE  78   1.452   4.358   0.068
  551    HE1  PHE  78           HE1      PHE  78   4.189   0.401   1.220
  552    HE2  PHE  78           HE2      PHE  78   3.674   4.650   1.086
  553    HZ   PHE  78           HZ       PHE  78   5.049   2.677   1.656
  554    H    LEU  79           H        LEU  79  -1.891   4.081   0.228
  555    HA   LEU  79           HA       LEU  79  -0.858   5.102   2.802
  556   1HB   LEU  79          1HB       LEU  79  -3.255   6.300   1.318
  557   2HB   LEU  79          2HB       LEU  79  -2.134   7.109   2.392
  558    HG   LEU  79           HG       LEU  79  -1.880   6.493  -0.537
  559   1HD1  LEU  79          1HD1      LEU  79  -0.647   8.666  -0.543
  560   2HD1  LEU  79          2HD1      LEU  79  -2.192   8.828   0.312
  561   3HD1  LEU  79          3HD1      LEU  79  -0.674   8.718   1.238
  562   1HD2  LEU  79          1HD2      LEU  79   0.639   6.368   1.254
  563   2HD2  LEU  79          2HD2      LEU  79  -0.016   5.037   0.268
  564   3HD2  LEU  79          3HD2      LEU  79   0.636   6.479  -0.525
  565    H    VAL  80           H        VAL  80  -3.829   3.551   1.733
  566    HA   VAL  80           HA       VAL  80  -5.534   4.171   4.030
  567    HB   VAL  80           HB       VAL  80  -5.788   1.825   2.078
  568   1HG1  VAL  80          1HG1      VAL  80  -8.197   1.734   2.758
  569   2HG1  VAL  80          2HG1      VAL  80  -7.144   1.382   4.134
  570   3HG1  VAL  80          3HG1      VAL  80  -7.913   2.980   4.001
  571   1HG2  VAL  80          1HG2      VAL  80  -7.216   4.564   2.000
  572   2HG2  VAL  80          2HG2      VAL  80  -5.930   4.045   0.886
  573   3HG2  VAL  80          3HG2      VAL  80  -7.485   3.201   0.886
  574    H    MET  81           H        MET  81  -3.142   1.683   3.366
  575    HA   MET  81           HA       MET  81  -3.873  -0.141   5.601
  576   1HB   MET  81          1HB       MET  81  -2.149  -0.283   3.283
  577   2HB   MET  81          2HB       MET  81  -2.730  -1.569   4.322
  578   1HG   MET  81          1HG       MET  81  -0.326  -0.054   5.402
  579   2HG   MET  81          2HG       MET  81  -0.077  -0.997   3.926
  580   1HE   MET  81          1HE       MET  81  -2.861  -1.587   6.464
  581   2HE   MET  81          2HE       MET  81  -2.466  -3.151   7.237
  582   3HE   MET  81          3HE       MET  81  -1.708  -1.646   7.835
  583    H    MET  82           H        MET  82  -1.397   2.341   5.018
  584    HA   MET  82           HA       MET  82   0.146   1.901   7.494
  585   1HB   MET  82          1HB       MET  82   0.196   3.920   5.268
  586   2HB   MET  82          2HB       MET  82   0.769   4.514   6.816
  587   1HG   MET  82          1HG       MET  82   2.577   3.532   5.267
  588   2HG   MET  82          2HG       MET  82   1.875   1.931   5.551
  589   1HE   MET  82          1HE       MET  82   4.135   4.888   7.727
  590   2HE   MET  82          2HE       MET  82   5.226   3.473   7.645
  591   3HE   MET  82          3HE       MET  82   4.435   4.074   6.159
  592    H    VAL  83           H        VAL  83  -2.570   3.953   6.583
  593    HA   VAL  83           HA       VAL  83  -2.627   5.579   9.068
  594    HB   VAL  83           HB       VAL  83  -4.783   5.239   6.921
  595   1HG1  VAL  83          1HG1      VAL  83  -5.837   7.304   7.859
  596   2HG1  VAL  83          2HG1      VAL  83  -5.839   6.003   9.058
  597   3HG1  VAL  83          3HG1      VAL  83  -4.657   7.326   9.195
  598   1HG2  VAL  83          1HG2      VAL  83  -2.767   7.548   7.327
  599   2HG2  VAL  83          2HG2      VAL  83  -2.736   6.363   6.000
  600   3HG2  VAL  83          3HG2      VAL  83  -4.082   7.506   6.124
  601    NH1  ARG  84           NH1      ARG  84 -10.058  -0.961   7.248
  602    NH2  ARG  84           NH2      ARG  84 -10.178   0.216   5.309
  603    H    ARG  84           H        ARG  84  -4.157   2.623   7.885
  604    HA   ARG  84           HA       ARG  84  -6.190   2.222   9.996
  605   1HB   ARG  84          1HB       ARG  84  -5.547   0.916   7.600
  606   2HB   ARG  84          2HB       ARG  84  -4.999  -0.243   8.803
  607   1HG   ARG  84          1HG       ARG  84  -7.239  -0.893   8.404
  608   2HG   ARG  84          2HG       ARG  84  -7.319  -0.041   9.948
  609   1HD   ARG  84          1HD       ARG  84  -9.108   1.028   8.915
  610   2HD   ARG  84          2HD       ARG  84  -7.834   2.111   8.361
  611    HE   ARG  84           HE       ARG  84  -7.941   1.080   6.112
  612   1HH1  ARG  84          1HH1      ARG  84 -11.007  -0.355   5.107
  613   2HH1  ARG  84          2HH1      ARG  84  -9.753   0.920   4.697
  614   1HH2  ARG  84          1HH2      ARG  84  -9.665  -1.033   8.193
  615   2HH2  ARG  84          2HH2      ARG  84 -10.769  -1.572   6.830
  616    H    GLN  85           H        GLN  85  -2.778   1.298   9.618
  617    HA   GLN  85           HA       GLN  85  -2.699  -0.466  12.041
  618   1HB   GLN  85          1HB       GLN  85  -0.069   0.469  10.985
  619   2HB   GLN  85          2HB       GLN  85  -1.111  -0.201   9.741
  620   1HG   GLN  85          1HG       GLN  85   0.073  -1.594  12.175
  621   2HG   GLN  85          2HG       GLN  85   0.150  -2.066  10.490
  622   1HE2  GLN  85          1HE2      GLN  85  -2.469  -4.059  12.614
  623   2HE2  GLN  85          2HE2      GLN  85  -0.863  -3.335  13.125
  624    H    MET  86           H        MET  86  -1.702   2.814  11.149
  625    HA   MET  86           HA       MET  86  -0.021   3.533  13.390
  626   1HB   MET  86          1HB       MET  86  -1.833   5.681  12.258
  627   2HB   MET  86          2HB       MET  86  -0.756   4.865  11.138
  628   1HG   MET  86          1HG       MET  86   0.954   5.500  13.330
  629   2HG   MET  86          2HG       MET  86   0.873   6.325  11.765
  630   1HE   MET  86          1HE       MET  86   0.950   9.275  14.459
  631   2HE   MET  86          2HE       MET  86   1.502   7.651  14.966
  632   3HE   MET  86          3HE       MET  86   1.927   8.269  13.343
  633    H    LYS  87           H        LYS  87  -3.538   3.947  12.940
  634    HA   LYS  87           HA       LYS  87  -4.144   5.100  15.588
  635   1HB   LYS  87          1HB       LYS  87  -6.077   3.487  13.821
  636   2HB   LYS  87          2HB       LYS  87  -6.519   4.565  15.129
  637   1HG   LYS  87          1HG       LYS  87  -4.973   6.207  13.391
  638   2HG   LYS  87          2HG       LYS  87  -5.856   5.165  12.294
  639   1HD   LYS  87          1HD       LYS  87  -8.030   5.940  13.136
  640   2HD   LYS  87          2HD       LYS  87  -7.284   6.680  14.543
  641   1HE   LYS  87          1HE       LYS  87  -6.114   8.372  13.056
  642   2HE   LYS  87          2HE       LYS  87  -6.924   7.687  11.645
  643   1HZ   LYS  87          1HZ       LYS  87  -8.001   9.379  13.747
  644   2HZ   LYS  87          2HZ       LYS  87  -8.454   9.246  12.164
  645   3HZ   LYS  87          3HZ       LYS  87  -9.014   8.161  13.278
  646    H    GLU  88           H        GLU  88  -4.049   1.806  14.263
  647    HA   GLU  88           HA       GLU  88  -3.991  -0.365  15.290
  648   1HB   GLU  88          1HB       GLU  88  -1.984   0.951  16.416
  649   2HB   GLU  88          2HB       GLU  88  -2.984   0.924  17.855
  650   1HG   GLU  88          1HG       GLU  88  -3.105  -1.761  17.193
  651   2HG   GLU  88          2HG       GLU  88  -1.561  -1.358  16.461
  652    H    ASP  89           H        ASP  89  -6.412   0.416  15.106
  653    HA   ASP  89           HA       ASP  89  -8.108   1.050  17.311
  654   1HB   ASP  89          1HB       ASP  89  -8.568   0.198  14.652
  655   2HB   ASP  89          2HB       ASP  89  -9.353  -1.034  15.613
  656    H    ALA  90           H        ALA  90  -9.045  -0.049  18.945
  657    HA   ALA  90           HA       ALA  90  -8.753  -3.026  19.308
  658   1HB   ALA  90          1HB       ALA  90  -7.179  -1.051  21.038
  659   2HB   ALA  90          2HB       ALA  90  -7.819  -2.532  21.777
  660   3HB   ALA  90          3HB       ALA  90  -6.676  -2.643  20.416
   
  Start of MODEL          34
 Raw file had  660 H/Q atoms
  Start of MODEL   34
    1   1H    ALA   1          1H        ALA   1 -20.759  -0.821   2.815
    2   2H    ALA   1          2H        ALA   1 -21.606  -2.220   3.206
    3   3H    ALA   1          3H        ALA   1 -20.380  -2.273   2.057
    4    HA   ALA   1           HA       ALA   1 -22.302  -2.343   0.820
    5   1HB   ALA   1          1HB       ALA   1 -24.131  -1.862   2.160
    6   2HB   ALA   1          2HB       ALA   1 -23.330  -0.525   3.007
    7   3HB   ALA   1          3HB       ALA   1 -24.023  -0.264   1.386
    8    H    SER   2           H        SER   2 -21.696   1.000   1.960
    9    HA   SER   2           HA       SER   2 -20.439   1.737  -0.735
   10   1HB   SER   2          1HB       SER   2 -23.003   2.339  -0.407
   11   2HB   SER   2          2HB       SER   2 -22.389   3.669   0.577
   12    HG   SER   2           HG       SER   2 -21.012   3.311  -1.769
   13    H    MET   3           H        MET   3 -18.556   1.397   0.744
   14    HA   MET   3           HA       MET   3 -17.737   4.070   1.979
   15   1HB   MET   3          1HB       MET   3 -18.283   2.698   3.928
   16   2HB   MET   3          2HB       MET   3 -17.339   1.346   3.329
   17   1HG   MET   3          1HG       MET   3 -15.725   3.864   3.645
   18   2HG   MET   3          2HG       MET   3 -15.342   2.200   4.116
   19   1HE   MET   3          1HE       MET   3 -17.912   1.331   5.397
   20   2HE   MET   3          2HE       MET   3 -16.847   1.130   6.819
   21   3HE   MET   3          3HE       MET   3 -18.352   2.085   6.962
   22    H    THR   4           H        THR   4 -17.327   3.208  -0.598
   23    HA   THR   4           HA       THR   4 -14.508   2.193  -0.886
   24    HB   THR   4           HB       THR   4 -15.839   3.405  -3.278
   25    HG1  THR   4           HG1      THR   4 -17.588   2.468  -2.396
   26   1HG2  THR   4          1HG2      THR   4 -15.063   1.369  -4.433
   27   2HG2  THR   4          2HG2      THR   4 -13.697   2.097  -3.559
   28   3HG2  THR   4          3HG2      THR   4 -14.500   0.643  -2.912
   29    H    ASP   5           H        ASP   5 -15.474   4.906   0.403
   30    HA   ASP   5           HA       ASP   5 -13.637   6.792  -1.146
   31   1HB   ASP   5          1HB       ASP   5 -15.781   7.512   0.936
   32   2HB   ASP   5          2HB       ASP   5 -14.727   8.654   0.132
   33    H    GLN   6           H        GLN   6 -14.220   5.229   1.936
   34    HA   GLN   6           HA       GLN   6 -12.543   6.493   3.827
   35   1HB   GLN   6          1HB       GLN   6 -13.826   4.014   3.719
   36   2HB   GLN   6          2HB       GLN   6 -12.139   3.531   3.755
   37   1HG   GLN   6          1HG       GLN   6 -11.768   4.867   5.856
   38   2HG   GLN   6          2HG       GLN   6 -12.932   3.572   6.044
   39   1HE2  GLN   6          1HE2      GLN   6 -14.660   6.351   7.719
   40   2HE2  GLN   6          2HE2      GLN   6 -13.417   5.025   7.972
   41    H    GLN   7           H        GLN   7 -11.600   4.603   1.010
   42    HA   GLN   7           HA       GLN   7  -8.825   4.074   1.344
   43   1HB   GLN   7          1HB       GLN   7  -9.560   5.298  -1.317
   44   2HB   GLN   7          2HB       GLN   7  -8.621   3.863  -0.944
   45   1HG   GLN   7          1HG       GLN   7 -11.683   4.101  -0.904
   46   2HG   GLN   7          2HG       GLN   7 -10.712   3.219  -2.064
   47   1HE2  GLN   7          1HE2      GLN   7 -11.484   0.347  -0.029
   48   2HE2  GLN   7          2HE2      GLN   7 -11.687   1.223  -1.629
   49    H    ALA   8           H        ALA   8 -10.113   7.057  -0.182
   50    HA   ALA   8           HA       ALA   8  -7.564   8.520  -0.083
   51   1HB   ALA   8          1HB       ALA   8  -9.299  10.536  -0.561
   52   2HB   ALA   8          2HB       ALA   8  -8.869   9.344  -1.802
   53   3HB   ALA   8          3HB       ALA   8 -10.403   9.185  -0.910
   54    H    GLU   9           H        GLU   9 -10.362   8.292   2.035
   55    HA   GLU   9           HA       GLU   9 -10.231  10.565   3.722
   56   1HB   GLU   9          1HB       GLU   9 -11.793   8.421   3.808
   57   2HB   GLU   9          2HB       GLU   9 -10.658   7.845   5.013
   58   1HG   GLU   9          1HG       GLU   9 -11.125  10.295   6.122
   59   2HG   GLU   9          2HG       GLU   9 -12.598  10.190   5.172
   60    H    ALA  10           H        ALA  10  -8.116   7.744   3.651
   61    HA   ALA  10           HA       ALA  10  -6.699   8.165   6.201
   62   1HB   ALA  10          1HB       ALA  10  -5.066   6.495   5.337
   63   2HB   ALA  10          2HB       ALA  10  -6.737   5.951   5.092
   64   3HB   ALA  10          3HB       ALA  10  -5.794   6.576   3.715
   65    NH1  ARG  11           NH1      ARG  11  -4.491  11.146  -3.216
   66    NH2  ARG  11           NH2      ARG  11  -2.683  12.423  -2.708
   67    H    ARG  11           H        ARG  11  -5.972   8.991   2.811
   68    HA   ARG  11           HA       ARG  11  -3.373  10.259   3.076
   69   1HB   ARG  11          1HB       ARG  11  -5.038   9.781   0.939
   70   2HB   ARG  11          2HB       ARG  11  -3.578  10.759   0.897
   71   1HG   ARG  11          1HG       ARG  11  -6.340  11.992   1.448
   72   2HG   ARG  11          2HG       ARG  11  -4.837  12.859   1.130
   73   1HD   ARG  11          1HD       ARG  11  -5.782  10.864  -0.979
   74   2HD   ARG  11          2HD       ARG  11  -6.664  12.383  -0.837
   75    HE   ARG  11           HE       ARG  11  -4.353  13.565  -1.196
   76   1HH1  ARG  11          1HH1      ARG  11  -2.230  11.958  -3.503
   77   2HH1  ARG  11          2HH1      ARG  11  -2.276  13.151  -2.110
   78   1HH2  ARG  11          1HH2      ARG  11  -5.406  10.788  -2.922
   79   2HH2  ARG  11          2HH2      ARG  11  -3.965  10.875  -4.055
   80    H    ALA  12           H        ALA  12  -6.582  11.348   3.964
   81    HA   ALA  12           HA       ALA  12  -5.827  14.231   4.327
   82   1HB   ALA  12          1HB       ALA  12  -8.187  14.521   5.062
   83   2HB   ALA  12          2HB       ALA  12  -8.099  13.633   3.528
   84   3HB   ALA  12          3HB       ALA  12  -8.446  12.759   5.041
   85    H    PHE  13           H        PHE  13  -4.491  12.033   5.935
   86    HA   PHE  13           HA       PHE  13  -5.057  13.131   8.737
   87   1HB   PHE  13          1HB       PHE  13  -5.404  10.646   8.465
   88   2HB   PHE  13          2HB       PHE  13  -3.736  10.450   7.994
   89    HD1  PHE  13           HD1      PHE  13  -4.769   8.911  10.274
   90    HD2  PHE  13           HD2      PHE  13  -3.170  12.908  10.284
   91    HE1  PHE  13           HE1      PHE  13  -4.145   8.669  12.643
   92    HE2  PHE  13           HE2      PHE  13  -2.442  12.599  12.614
   93    HZ   PHE  13           HZ       PHE  13  -2.979  10.507  13.815
   94    H    LEU  14           H        LEU  14  -2.588  12.197   6.369
   95    HA   LEU  14           HA       LEU  14  -0.389  13.707   7.855
   96   1HB   LEU  14          1HB       LEU  14   0.383  11.547   7.198
   97   2HB   LEU  14          2HB       LEU  14   1.154  12.700   6.130
   98    HG   LEU  14           HG       LEU  14  -1.402  11.481   5.069
   99   1HD1  LEU  14          1HD1      LEU  14   1.160   9.768   5.231
  100   2HD1  LEU  14          2HD1      LEU  14  -0.272   9.518   6.246
  101   3HD1  LEU  14          3HD1      LEU  14  -0.390   9.308   4.481
  102   1HD2  LEU  14          1HD2      LEU  14  -0.197  11.498   2.925
  103   2HD2  LEU  14          2HD2      LEU  14   0.111  13.062   3.718
  104   3HD2  LEU  14          3HD2      LEU  14   1.361  11.809   3.733
  105    H    SER  15           H        SER  15   1.085  14.925   6.274
  106    HA   SER  15           HA       SER  15  -0.537  17.130   5.078
  107   1HB   SER  15          1HB       SER  15   1.752  18.192   4.671
  108   2HB   SER  15          2HB       SER  15   1.340  17.845   6.353
  109    HG   SER  15           HG       SER  15   3.425  17.057   5.021
  110    H    GLU  16           H        GLU  16   0.129  18.037   2.934
  111    HA   GLU  16           HA       GLU  16  -0.255  16.105   0.748
  112   1HB   GLU  16          1HB       GLU  16  -0.246  17.925  -0.767
  113   2HB   GLU  16          2HB       GLU  16  -1.055  18.481   0.686
  114   1HG   GLU  16          1HG       GLU  16   1.806  19.209  -0.208
  115   2HG   GLU  16          2HG       GLU  16   1.168  19.636   1.371
  116    H    GLU  17           H        GLU  17   2.486  18.156   1.724
  117    HA   GLU  17           HA       GLU  17   4.408  17.227  -0.285
  118   1HB   GLU  17          1HB       GLU  17   5.434  18.201   2.396
  119   2HB   GLU  17          2HB       GLU  17   6.114  18.416   0.796
  120   1HG   GLU  17          1HG       GLU  17   3.836  19.867   0.399
  121   2HG   GLU  17          2HG       GLU  17   3.872  19.973   2.151
  122    H    MET  18           H        MET  18   3.523  16.086   2.929
  123    HA   MET  18           HA       MET  18   5.684  14.210   3.457
  124   1HB   MET  18          1HB       MET  18   4.234  14.811   5.291
  125   2HB   MET  18          2HB       MET  18   2.790  14.281   4.448
  126   1HG   MET  18          1HG       MET  18   3.128  12.011   4.953
  127   2HG   MET  18          2HG       MET  18   4.893  12.151   4.968
  128   1HE   MET  18          1HE       MET  18   5.359  11.575   8.571
  129   2HE   MET  18          2HE       MET  18   4.239  10.522   7.656
  130   3HE   MET  18          3HE       MET  18   5.695  11.183   6.856
  131    H    ILE  19           H        ILE  19   2.691  13.964   1.610
  132    HA   ILE  19           HA       ILE  19   2.557  11.126   1.054
  133    HB   ILE  19           HB       ILE  19   1.741  13.413  -0.811
  134   1HG1  ILE  19          1HG1      ILE  19   0.581  13.197   1.559
  135   2HG1  ILE  19          2HG1      ILE  19  -0.413  13.414   0.135
  136   1HG2  ILE  19          1HG2      ILE  19   0.316  11.739  -2.010
  137   2HG2  ILE  19          2HG2      ILE  19   2.013  11.272  -2.101
  138   3HG2  ILE  19          3HG2      ILE  19   0.931  10.433  -0.967
  139   1HD1  ILE  19          1HD1      ILE  19   0.003  10.718   1.555
  140   2HD1  ILE  19          2HD1      ILE  19  -1.460  11.724   1.534
  141   3HD1  ILE  19          3HD1      ILE  19  -0.908  10.939   0.036
  142    H    ALA  20           H        ALA  20   4.323  13.743  -0.608
  143    HA   ALA  20           HA       ALA  20   5.438  12.326  -2.845
  144   1HB   ALA  20          1HB       ALA  20   6.677  14.645  -1.253
  145   2HB   ALA  20          2HB       ALA  20   7.233  14.100  -2.848
  146   3HB   ALA  20          3HB       ALA  20   5.597  14.781  -2.661
  147    H    GLU  21           H        GLU  21   6.430  12.428   0.537
  148    HA   GLU  21           HA       GLU  21   9.124  11.288   0.253
  149   1HB   GLU  21          1HB       GLU  21   7.656  10.890   2.854
  150   2HB   GLU  21          2HB       GLU  21   7.840  12.543   2.303
  151   1HG   GLU  21          1HG       GLU  21  10.445  11.797   2.005
  152   2HG   GLU  21          2HG       GLU  21   9.990  10.561   3.165
  153    H    PHE  22           H        PHE  22   5.939   9.918   1.053
  154    HA   PHE  22           HA       PHE  22   6.735   7.137   1.530
  155   1HB   PHE  22          1HB       PHE  22   4.044   8.302   0.611
  156   2HB   PHE  22          2HB       PHE  22   4.273   6.606   0.942
  157    HD1  PHE  22           HD1      PHE  22   2.288   8.358   2.420
  158    HD2  PHE  22           HD2      PHE  22   6.394   7.462   3.353
  159    HE1  PHE  22           HE1      PHE  22   1.847   8.769   4.804
  160    HE2  PHE  22           HE2      PHE  22   5.919   7.827   5.740
  161    HZ   PHE  22           HZ       PHE  22   3.654   8.495   6.469
  162    H    LYS  23           H        LYS  23   5.960   9.023  -1.340
  163    HA   LYS  23           HA       LYS  23   5.651   6.880  -3.318
  164   1HB   LYS  23          1HB       LYS  23   6.796   9.620  -4.049
  165   2HB   LYS  23          2HB       LYS  23   5.134   9.486  -3.518
  166   1HG   LYS  23          1HG       LYS  23   6.436   8.461  -6.063
  167   2HG   LYS  23          2HG       LYS  23   5.061   7.561  -5.453
  168   1HD   LYS  23          1HD       LYS  23   4.841  10.603  -5.838
  169   2HD   LYS  23          2HD       LYS  23   3.556   9.414  -5.712
  170   1HE   LYS  23          1HE       LYS  23   5.512   9.475  -8.089
  171   2HE   LYS  23          2HE       LYS  23   4.066   8.473  -7.953
  172   1HZ   LYS  23          1HZ       LYS  23   2.858  10.739  -7.723
  173   2HZ   LYS  23          2HZ       LYS  23   4.239  11.400  -8.345
  174   3HZ   LYS  23          3HZ       LYS  23   3.391  10.284  -9.219
  175    H    ALA  24           H        ALA  24   8.442   8.841  -2.273
  176    HA   ALA  24           HA       ALA  24  10.464   7.999  -4.109
  177   1HB   ALA  24          1HB       ALA  24  12.131   8.658  -2.383
  178   2HB   ALA  24          2HB       ALA  24  10.814   9.841  -2.486
  179   3HB   ALA  24          3HB       ALA  24  10.868   8.688  -1.129
  180    H    ALA  25           H        ALA  25   9.371   6.447  -1.105
  181    HA   ALA  25           HA       ALA  25  11.440   4.323  -1.045
  182   1HB   ALA  25          1HB       ALA  25  10.119   3.385   0.843
  183   2HB   ALA  25          2HB       ALA  25  10.374   5.128   1.042
  184   3HB   ALA  25          3HB       ALA  25   8.785   4.517   0.515
  185    H    PHE  26           H        PHE  26   8.165   4.636  -2.293
  186    HA   PHE  26           HA       PHE  26   7.521   1.830  -2.815
  187   1HB   PHE  26          1HB       PHE  26   6.503   4.195  -4.486
  188   2HB   PHE  26          2HB       PHE  26   5.938   3.906  -2.862
  189    HD1  PHE  26           HD1      PHE  26   6.465   1.887  -6.059
  190    HD2  PHE  26           HD2      PHE  26   3.922   2.667  -2.678
  191    HE1  PHE  26           HE1      PHE  26   4.752   0.380  -6.985
  192    HE2  PHE  26           HE2      PHE  26   2.221   1.157  -3.620
  193    HZ   PHE  26           HZ       PHE  26   2.627   0.020  -5.776
  194    H    ASP  27           H        ASP  27   9.332   4.295  -4.558
  195    HA   ASP  27           HA       ASP  27   9.502   2.998  -7.177
  196   1HB   ASP  27          1HB       ASP  27  11.729   4.857  -6.265
  197   2HB   ASP  27          2HB       ASP  27  10.108   5.498  -6.408
  198    H    MET  28           H        MET  28  11.274   2.598  -4.195
  199    HA   MET  28           HA       MET  28  13.734   1.363  -5.097
  200   1HB   MET  28          1HB       MET  28  13.449  -0.018  -2.785
  201   2HB   MET  28          2HB       MET  28  12.183   1.163  -2.500
  202   1HG   MET  28          1HG       MET  28  13.962   3.018  -2.995
  203   2HG   MET  28          2HG       MET  28  14.122   2.114  -1.481
  204   1HE   MET  28          1HE       MET  28  17.025   0.310  -1.301
  205   2HE   MET  28          2HE       MET  28  17.470   2.041  -1.373
  206   3HE   MET  28          3HE       MET  28  15.918   1.551  -0.634
  207    H    PHE  29           H        PHE  29  10.510  -0.007  -4.524
  208    HA   PHE  29           HA       PHE  29  11.418  -2.731  -5.631
  209   1HB   PHE  29          1HB       PHE  29   9.020  -2.190  -3.765
  210   2HB   PHE  29          2HB       PHE  29   9.468  -3.737  -4.429
  211    HD1  PHE  29           HD1      PHE  29  11.080  -0.999  -2.341
  212    HD2  PHE  29           HD2      PHE  29  10.764  -5.219  -3.128
  213    HE1  PHE  29           HE1      PHE  29  12.470  -1.484  -0.368
  214    HE2  PHE  29           HE2      PHE  29  12.175  -5.679  -1.166
  215    HZ   PHE  29           HZ       PHE  29  13.021  -3.820   0.220
  216    H    ASP  30           H        ASP  30  10.739  -0.422  -7.186
  217    HA   ASP  30           HA       ASP  30   8.529  -1.537  -8.898
  218   1HB   ASP  30          1HB       ASP  30   7.238  -0.167  -7.255
  219   2HB   ASP  30          2HB       ASP  30   8.180   1.249  -7.659
  220    H    ALA  31           H        ALA  31   9.440  -1.543 -10.800
  221    HA   ALA  31           HA       ALA  31  11.812  -0.135 -11.663
  222   1HB   ALA  31          1HB       ALA  31  11.249  -0.941 -13.960
  223   2HB   ALA  31          2HB       ALA  31  11.038  -2.217 -12.746
  224   3HB   ALA  31          3HB       ALA  31   9.612  -1.395 -13.431
  225    H    ASP  32           H        ASP  32  11.649   1.170 -13.851
  226    HA   ASP  32           HA       ASP  32  10.256   3.769 -13.162
  227   1HB   ASP  32          1HB       ASP  32  12.484   3.105 -15.151
  228   2HB   ASP  32          2HB       ASP  32  11.615   4.619 -15.238
  229    H    GLY  33           H        GLY  33   8.191   3.708 -13.724
  230   1HA   GLY  33          1HA       GLY  33   6.436   4.058 -15.521
  231   2HA   GLY  33          2HA       GLY  33   7.399   3.040 -16.597
  232    H    GLY  34           H        GLY  34   6.779   2.264 -13.211
  233   1HA   GLY  34          1HA       GLY  34   5.517  -0.392 -13.991
  234   2HA   GLY  34          2HA       GLY  34   6.123   0.029 -12.386
  235    H    GLY  35           H        GLY  35   4.923   1.563 -11.104
  236   1HA   GLY  35          1HA       GLY  35   1.945   1.873 -11.798
  237   2HA   GLY  35          2HA       GLY  35   2.827   2.950 -10.713
  238    H    ASP  36           H        ASP  36   3.035  -0.579 -10.786
  239    HA   ASP  36           HA       ASP  36   1.897  -0.739  -7.948
  240   1HB   ASP  36          1HB       ASP  36   0.631  -2.784  -8.506
  241   2HB   ASP  36          2HB       ASP  36   0.070  -1.392  -9.405
  242    H    ILE  37           H        ILE  37   2.401  -2.901  -6.968
  243    HA   ILE  37           HA       ILE  37   5.043  -4.149  -7.868
  244    HB   ILE  37           HB       ILE  37   6.074  -4.022  -5.698
  245   1HG1  ILE  37          1HG1      ILE  37   3.786  -2.248  -4.628
  246   2HG1  ILE  37          2HG1      ILE  37   3.854  -3.970  -4.324
  247   1HG2  ILE  37          1HG2      ILE  37   6.636  -1.589  -5.614
  248   2HG2  ILE  37          2HG2      ILE  37   6.483  -2.122  -7.294
  249   3HG2  ILE  37          3HG2      ILE  37   5.172  -1.182  -6.541
  250   1HD1  ILE  37          1HD1      ILE  37   5.972  -1.963  -3.360
  251   2HD1  ILE  37          2HD1      ILE  37   4.765  -2.825  -2.382
  252   3HD1  ILE  37          3HD1      ILE  37   6.083  -3.732  -3.160
  253    H    SER  38           H        SER  38   5.365  -5.932  -5.873
  254    HA   SER  38           HA       SER  38   3.000  -7.793  -6.107
  255   1HB   SER  38          1HB       SER  38   5.564  -8.403  -6.309
  256   2HB   SER  38          2HB       SER  38   5.530  -8.456  -4.544
  257    HG   SER  38           HG       SER  38   3.439  -9.717  -5.883
  258    H    THR  39           H        THR  39   2.104  -8.827  -4.241
  259    HA   THR  39           HA       THR  39   1.497  -6.927  -1.991
  260    HB   THR  39           HB       THR  39   0.020  -9.034  -1.252
  261    HG1  THR  39           HG1      THR  39   1.053 -10.163  -3.112
  262   1HG2  THR  39          1HG2      THR  39  -1.892  -8.173  -2.531
  263   2HG2  THR  39          2HG2      THR  39  -0.922  -6.794  -1.963
  264   3HG2  THR  39          3HG2      THR  39  -0.826  -7.314  -3.667
  265    H    LYS  40           H        LYS  40   3.142 -10.017  -2.526
  266    HA   LYS  40           HA       LYS  40   3.568 -10.899   0.200
  267   1HB   LYS  40          1HB       LYS  40   4.696 -11.564  -2.455
  268   2HB   LYS  40          2HB       LYS  40   5.933 -11.646  -1.219
  269   1HG   LYS  40          1HG       LYS  40   3.239 -13.132  -1.108
  270   2HG   LYS  40          2HG       LYS  40   4.734 -13.828  -1.699
  271   1HD   LYS  40          1HD       LYS  40   4.143 -12.943   1.199
  272   2HD   LYS  40          2HD       LYS  40   4.274 -14.586   0.592
  273   1HE   LYS  40          1HE       LYS  40   6.344 -13.339   1.847
  274   2HE   LYS  40          2HE       LYS  40   6.725 -12.823   0.203
  275   1HZ   LYS  40          1HZ       LYS  40   7.562 -15.110   1.174
  276   2HZ   LYS  40          2HZ       LYS  40   6.110 -15.670   0.619
  277   3HZ   LYS  40          3HZ       LYS  40   7.180 -14.969  -0.427
  278    H    GLU  41           H        GLU  41   5.244  -8.546  -1.817
  279    HA   GLU  41           HA       GLU  41   7.462  -8.095   0.182
  280   1HB   GLU  41          1HB       GLU  41   8.089  -6.265  -1.654
  281   2HB   GLU  41          2HB       GLU  41   6.966  -7.154  -2.663
  282   1HG   GLU  41          1HG       GLU  41   9.572  -8.201  -1.402
  283   2HG   GLU  41          2HG       GLU  41   8.376  -9.300  -2.068
  284    H    LEU  42           H        LEU  42   4.545  -6.549  -1.040
  285    HA   LEU  42           HA       LEU  42   4.654  -3.876  -0.312
  286   1HB   LEU  42          1HB       LEU  42   2.499  -3.984  -0.918
  287   2HB   LEU  42          2HB       LEU  42   2.558  -5.732  -0.854
  288    HG   LEU  42           HG       LEU  42   1.831  -3.944   1.551
  289   1HD1  LEU  42          1HD1      LEU  42   1.454  -6.992   1.260
  290   2HD1  LEU  42          2HD1      LEU  42   2.807  -6.248   2.126
  291   3HD1  LEU  42          3HD1      LEU  42   1.142  -5.999   2.707
  292   1HD2  LEU  42          1HD2      LEU  42  -0.531  -4.549   1.162
  293   2HD2  LEU  42          2HD2      LEU  42   0.116  -3.850  -0.343
  294   3HD2  LEU  42          3HD2      LEU  42  -0.091  -5.605  -0.204
  295    H    GLY  43           H        GLY  43   4.452  -6.622   1.882
  296   1HA   GLY  43          1HA       GLY  43   4.022  -5.229   4.443
  297   2HA   GLY  43          2HA       GLY  43   4.803  -6.804   4.266
  298    H    THR  44           H        THR  44   7.043  -6.611   3.112
  299    HA   THR  44           HA       THR  44   8.936  -5.570   4.871
  300    HB   THR  44           HB       THR  44   9.275  -6.163   1.904
  301    HG1  THR  44           HG1      THR  44   8.925  -7.918   3.101
  302   1HG2  THR  44          1HG2      THR  44  11.749  -6.227   2.257
  303   2HG2  THR  44          2HG2      THR  44  11.118  -4.576   2.433
  304   3HG2  THR  44          3HG2      THR  44  11.550  -5.521   3.881
  305    H    VAL  45           H        VAL  45   7.410  -3.860   2.195
  306    HA   VAL  45           HA       VAL  45   9.316  -1.621   1.974
  307    HB   VAL  45           HB       VAL  45   7.712  -0.481   0.553
  308   1HG1  VAL  45          1HG1      VAL  45   7.453  -2.172  -1.259
  309   2HG1  VAL  45          2HG1      VAL  45   9.038  -2.335  -0.492
  310   3HG1  VAL  45          3HG1      VAL  45   7.750  -3.500  -0.106
  311   1HG2  VAL  45          1HG2      VAL  45   5.614  -2.647   1.234
  312   2HG2  VAL  45          2HG2      VAL  45   5.522  -0.930   1.691
  313   3HG2  VAL  45          3HG2      VAL  45   5.455  -1.387  -0.017
  314    H    MET  46           H        MET  46   6.285  -2.157   3.744
  315    HA   MET  46           HA       MET  46   6.139   0.620   4.851
  316   1HB   MET  46          1HB       MET  46   4.096  -0.772   4.258
  317   2HB   MET  46          2HB       MET  46   4.058   0.007   5.831
  318   1HG   MET  46          1HG       MET  46   4.292  -2.967   5.197
  319   2HG   MET  46          2HG       MET  46   4.971  -2.372   6.720
  320   1HE   MET  46          1HE       MET  46   3.329  -0.607   8.435
  321   2HE   MET  46          2HE       MET  46   2.057  -1.731   8.996
  322   3HE   MET  46          3HE       MET  46   3.733  -2.317   8.785
  323    NH1  ARG  47           NH1      ARG  47   7.188  -7.973   8.850
  324    NH2  ARG  47           NH2      ARG  47   8.357  -8.021   6.903
  325    H    ARG  47           H        ARG  47   7.507  -2.437   5.818
  326    HA   ARG  47           HA       ARG  47   7.519  -1.901   8.784
  327   1HB   ARG  47          1HB       ARG  47   8.188  -4.219   6.995
  328   2HB   ARG  47          2HB       ARG  47   9.241  -4.051   8.392
  329   1HG   ARG  47          1HG       ARG  47   6.646  -3.669   9.493
  330   2HG   ARG  47          2HG       ARG  47   7.692  -5.078   9.675
  331   1HD   ARG  47          1HD       ARG  47   5.515  -4.662   7.530
  332   2HD   ARG  47          2HD       ARG  47   5.507  -5.846   8.836
  333    HE   ARG  47           HE       ARG  47   6.867  -6.171   6.234
  334   1HH1  ARG  47          1HH1      ARG  47   7.690  -8.838   9.081
  335   2HH1  ARG  47          2HH1      ARG  47   6.486  -7.497   9.428
  336   1HH2  ARG  47          1HH2      ARG  47   8.482  -7.634   5.961
  337   2HH2  ARG  47          2HH2      ARG  47   8.840  -8.833   7.304
  338    H    MET  48           H        MET  48   9.745  -1.769   6.045
  339    HA   MET  48           HA       MET  48  12.221  -1.450   7.679
  340   1HB   MET  48          1HB       MET  48  12.380  -0.532   4.829
  341   2HB   MET  48          2HB       MET  48  11.746  -2.158   5.014
  342   1HG   MET  48          1HG       MET  48  14.020  -2.161   6.730
  343   2HG   MET  48          2HG       MET  48  13.897  -2.894   5.123
  344   1HE   MET  48          1HE       MET  48  17.059  -1.006   6.268
  345   2HE   MET  48          2HE       MET  48  16.243   0.540   6.646
  346   3HE   MET  48          3HE       MET  48  15.635  -0.984   7.355
  347    H    LEU  49           H        LEU  49   9.699   0.632   6.794
  348    HA   LEU  49           HA       LEU  49  11.291   3.057   7.780
  349   1HB   LEU  49          1HB       LEU  49   9.448   4.312   6.227
  350   2HB   LEU  49          2HB       LEU  49  11.074   3.916   5.698
  351    HG   LEU  49           HG       LEU  49   9.389   1.618   5.089
  352   1HD1  LEU  49          1HD1      LEU  49  10.606   3.697   3.162
  353   2HD1  LEU  49          2HD1      LEU  49  11.514   2.358   3.887
  354   3HD1  LEU  49          3HD1      LEU  49  10.162   2.014   2.780
  355   1HD2  LEU  49          1HD2      LEU  49   7.663   2.565   3.617
  356   2HD2  LEU  49          2HD2      LEU  49   7.464   3.321   5.217
  357   3HD2  LEU  49          3HD2      LEU  49   8.238   4.226   3.909
  358    H    GLY  50           H        GLY  50   9.685   1.081   9.169
  359   1HA   GLY  50          1HA       GLY  50   7.367   2.801  10.222
  360   2HA   GLY  50          2HA       GLY  50   7.067   1.119   9.776
  361    H    GLN  51           H        GLN  51   8.434  -0.534  10.833
  362    HA   GLN  51           HA       GLN  51   9.508   0.028  13.598
  363   1HB   GLN  51          1HB       GLN  51   7.250  -1.914  13.792
  364   2HB   GLN  51          2HB       GLN  51   7.802  -0.684  14.915
  365   1HG   GLN  51          1HG       GLN  51   6.628   1.103  13.616
  366   2HG   GLN  51          2HG       GLN  51   6.123  -0.060  12.408
  367   1HE2  GLN  51          1HE2      GLN  51   3.220   0.347  14.743
  368   2HE2  GLN  51          2HE2      GLN  51   4.234   1.452  13.687
  369    H    ASN  52           H        ASN  52   9.074  -2.596  14.556
  370    HA   ASN  52           HA       ASN  52  10.453  -4.380  12.503
  371   1HB   ASN  52          1HB       ASN  52  11.175  -4.111  15.471
  372   2HB   ASN  52          2HB       ASN  52  12.113  -3.493  14.129
  373   1HD2  ASN  52          1HD2      ASN  52  13.278  -6.969  15.429
  374   2HD2  ASN  52          2HD2      ASN  52  12.868  -5.372  16.235
  375    HA   PRO  53           HA       PRO  53   6.679  -6.426  14.902
  376   1HB   PRO  53          1HB       PRO  53   4.847  -6.752  12.869
  377   2HB   PRO  53          2HB       PRO  53   5.029  -5.260  13.805
  378   1HG   PRO  53          1HG       PRO  53   5.316  -4.373  11.645
  379   2HG   PRO  53          2HG       PRO  53   6.120  -5.820  10.992
  380   1HD   PRO  53          1HD       PRO  53   8.090  -4.560  11.459
  381   2HD   PRO  53          2HD       PRO  53   7.246  -3.532  12.657
  382    H    THR  54           H        THR  54   5.382  -8.494  13.643
  383    HA   THR  54           HA       THR  54   7.644 -10.469  13.201
  384    HB   THR  54           HB       THR  54   4.792 -11.383  13.634
  385    HG1  THR  54           HG1      THR  54   4.929 -11.029  15.731
  386   1HG2  THR  54          1HG2      THR  54   5.854 -13.229  14.891
  387   2HG2  THR  54          2HG2      THR  54   6.564 -13.125  13.264
  388   3HG2  THR  54          3HG2      THR  54   7.467 -12.510  14.671
  389    H    LYS  55           H        LYS  55   7.489 -12.075  11.573
  390    HA   LYS  55           HA       LYS  55   6.660 -10.974   8.911
  391   1HB   LYS  55          1HB       LYS  55   7.582 -13.827   9.027
  392   2HB   LYS  55          2HB       LYS  55   8.057 -12.536   7.944
  393   1HG   LYS  55          1HG       LYS  55   9.112 -13.138  10.755
  394   2HG   LYS  55          2HG       LYS  55   9.364 -11.557  10.042
  395   1HD   LYS  55          1HD       LYS  55  10.429 -12.875   7.985
  396   2HD   LYS  55          2HD       LYS  55  11.347 -12.620   9.460
  397   1HE   LYS  55          1HE       LYS  55   9.735 -15.189   9.313
  398   2HE   LYS  55          2HE       LYS  55  11.167 -15.079   8.288
  399   1HZ   LYS  55          1HZ       LYS  55  12.527 -15.136  10.094
  400   2HZ   LYS  55          2HZ       LYS  55  11.531 -14.249  11.069
  401   3HZ   LYS  55          3HZ       LYS  55  11.235 -15.857  10.829
  402    H    GLU  56           H        GLU  56   5.682 -13.529  11.150
  403    HA   GLU  56           HA       GLU  56   3.643 -14.844   9.452
  404   1HB   GLU  56          1HB       GLU  56   4.837 -15.560  11.792
  405   2HB   GLU  56          2HB       GLU  56   3.344 -14.922  12.451
  406   1HG   GLU  56          1HG       GLU  56   2.042 -16.671  11.609
  407   2HG   GLU  56          2HG       GLU  56   2.987 -16.836  10.139
  408    H    GLU  57           H        GLU  57   3.720 -12.112  11.672
  409    HA   GLU  57           HA       GLU  57   0.790 -11.743  11.928
  410   1HB   GLU  57          1HB       GLU  57   2.978  -9.681  12.521
  411   2HB   GLU  57          2HB       GLU  57   1.300  -9.588  13.019
  412   1HG   GLU  57          1HG       GLU  57   2.959 -12.004  13.907
  413   2HG   GLU  57          2HG       GLU  57   3.226 -10.454  14.687
  414    H    LEU  58           H        LEU  58   3.334 -10.510   9.820
  415    HA   LEU  58           HA       LEU  58   1.808  -8.429   8.415
  416   1HB   LEU  58          1HB       LEU  58   4.178  -8.312   8.189
  417   2HB   LEU  58          2HB       LEU  58   4.335  -9.996   7.741
  418    HG   LEU  58           HG       LEU  58   4.668  -8.154   5.900
  419   1HD1  LEU  58          1HD1      LEU  58   3.760  -9.662   4.104
  420   2HD1  LEU  58          2HD1      LEU  58   4.621 -10.583   5.346
  421   3HD1  LEU  58          3HD1      LEU  58   2.840 -10.579   5.324
  422   1HD2  LEU  58          1HD2      LEU  58   1.577  -8.259   5.858
  423   2HD2  LEU  58          2HD2      LEU  58   2.566  -6.847   6.308
  424   3HD2  LEU  58          3HD2      LEU  58   2.617  -7.466   4.647
  425    H    ASP  59           H        ASP  59   2.214 -11.904   8.002
  426    HA   ASP  59           HA       ASP  59   0.813 -12.265   5.462
  427   1HB   ASP  59          1HB       ASP  59   1.552 -14.141   7.723
  428   2HB   ASP  59          2HB       ASP  59   0.310 -14.671   6.613
  429    H    ALA  60           H        ALA  60  -0.261 -11.961   8.802
  430    HA   ALA  60           HA       ALA  60  -3.073 -12.728   8.467
  431   1HB   ALA  60          1HB       ALA  60  -3.432 -11.631  10.674
  432   2HB   ALA  60          2HB       ALA  60  -1.994 -12.671  10.693
  433   3HB   ALA  60          3HB       ALA  60  -1.810 -10.900  10.610
  434    H    ILE  61           H        ILE  61  -1.533  -9.500   8.734
  435    HA   ILE  61           HA       ILE  61  -3.706  -7.765   8.300
  436    HB   ILE  61           HB       ILE  61  -0.796  -7.428   7.482
  437   1HG1  ILE  61          1HG1      ILE  61  -0.897  -7.167   9.833
  438   2HG1  ILE  61          2HG1      ILE  61  -2.518  -6.507   9.819
  439   1HG2  ILE  61          1HG2      ILE  61  -1.237  -5.026   6.910
  440   2HG2  ILE  61          2HG2      ILE  61  -2.108  -6.096   5.814
  441   3HG2  ILE  61          3HG2      ILE  61  -2.987  -5.277   7.126
  442   1HD1  ILE  61          1HD1      ILE  61  -1.741  -4.290   9.028
  443   2HD1  ILE  61          2HD1      ILE  61  -0.849  -4.789  10.481
  444   3HD1  ILE  61          3HD1      ILE  61  -0.070  -4.902   8.886
  445    H    ILE  62           H        ILE  62  -1.855  -9.713   6.021
  446    HA   ILE  62           HA       ILE  62  -2.800  -8.559   3.482
  447    HB   ILE  62           HB       ILE  62  -1.590 -11.285   4.130
  448   1HG1  ILE  62          1HG1      ILE  62  -0.190  -9.005   4.072
  449   2HG1  ILE  62          2HG1      ILE  62   0.461 -10.468   3.365
  450   1HG2  ILE  62          1HG2      ILE  62  -1.453 -11.759   1.671
  451   2HG2  ILE  62          2HG2      ILE  62  -3.135 -11.620   2.177
  452   3HG2  ILE  62          3HG2      ILE  62  -2.364 -10.271   1.313
  453   1HD1  ILE  62          1HD1      ILE  62  -0.816  -8.188   1.743
  454   2HD1  ILE  62          2HD1      ILE  62   0.901  -8.632   1.835
  455   3HD1  ILE  62          3HD1      ILE  62  -0.254  -9.738   1.056
  456    H    GLU  63           H        GLU  63  -3.828 -11.390   5.403
  457    HA   GLU  63           HA       GLU  63  -5.988 -12.387   3.838
  458   1HB   GLU  63          1HB       GLU  63  -5.456 -12.422   6.813
  459   2HB   GLU  63          2HB       GLU  63  -5.450 -13.736   5.655
  460   1HG   GLU  63          1HG       GLU  63  -7.433 -14.287   6.696
  461   2HG   GLU  63          2HG       GLU  63  -8.123 -13.162   5.538
  462    H    GLU  64           H        GLU  64  -5.868  -9.588   5.969
  463    HA   GLU  64           HA       GLU  64  -8.759  -8.992   6.028
  464   1HB   GLU  64          1HB       GLU  64  -6.527  -6.973   6.569
  465   2HB   GLU  64          2HB       GLU  64  -6.961  -8.225   7.716
  466   1HG   GLU  64          1HG       GLU  64  -8.987  -6.149   6.663
  467   2HG   GLU  64          2HG       GLU  64  -9.253  -7.296   7.965
  468    H    VAL  65           H        VAL  65  -5.986  -7.719   4.187
  469    HA   VAL  65           HA       VAL  65  -7.854  -6.135   2.356
  470    HB   VAL  65           HB       VAL  65  -4.847  -5.763   2.267
  471   1HG1  VAL  65          1HG1      VAL  65  -5.465  -3.432   1.602
  472   2HG1  VAL  65          2HG1      VAL  65  -6.243  -4.619   0.537
  473   3HG1  VAL  65          3HG1      VAL  65  -7.196  -3.803   1.800
  474   1HG2  VAL  65          1HG2      VAL  65  -6.642  -4.399   4.392
  475   2HG2  VAL  65          2HG2      VAL  65  -5.316  -5.543   4.712
  476   3HG2  VAL  65          3HG2      VAL  65  -4.960  -3.958   4.012
  477    H    ASP  66           H        ASP  66  -7.624  -8.988   2.288
  478    HA   ASP  66           HA       ASP  66  -7.033  -9.303  -0.642
  479   1HB   ASP  66          1HB       ASP  66  -4.861  -9.931   0.749
  480   2HB   ASP  66          2HB       ASP  66  -5.725 -11.398   1.144
  481    H    GLU  67           H        GLU  67  -9.327  -9.192   1.059
  482    HA   GLU  67           HA       GLU  67 -10.524 -11.948   1.215
  483   1HB   GLU  67          1HB       GLU  67 -11.518  -9.166   1.893
  484   2HB   GLU  67          2HB       GLU  67 -12.699 -10.427   1.599
  485   1HG   GLU  67          1HG       GLU  67 -11.990 -11.725   3.506
  486   2HG   GLU  67          2HG       GLU  67 -10.429 -10.927   3.600
  487    H    ASP  68           H        ASP  68 -10.688  -9.057  -0.827
  488    HA   ASP  68           HA       ASP  68 -11.724 -10.724  -3.151
  489   1HB   ASP  68          1HB       ASP  68 -13.719  -9.603  -1.967
  490   2HB   ASP  68          2HB       ASP  68 -13.068  -8.057  -2.462
  491    H    GLY  69           H        GLY  69  -9.148  -9.967  -2.742
  492   1HA   GLY  69          1HA       GLY  69  -7.273  -8.605  -3.524
  493   2HA   GLY  69          2HA       GLY  69  -8.422  -7.308  -3.868
  494    H    SER  70           H        SER  70  -7.300  -6.946  -5.814
  495    HA   SER  70           HA       SER  70  -8.473  -8.328  -8.190
  496   1HB   SER  70          1HB       SER  70  -6.312  -6.231  -8.506
  497   2HB   SER  70          2HB       SER  70  -7.779  -6.504  -9.450
  498    HG   SER  70           HG       SER  70  -8.220  -4.791  -8.250
  499    H    GLY  71           H        GLY  71  -5.175  -7.789  -6.896
  500   1HA   GLY  71          1HA       GLY  71  -3.998 -10.351  -7.128
  501   2HA   GLY  71          2HA       GLY  71  -3.915  -9.764  -8.791
  502    H    THR  72           H        THR  72  -3.629  -6.962  -8.012
  503    HA   THR  72           HA       THR  72  -0.712  -6.996  -7.118
  504    HB   THR  72           HB       THR  72  -0.082  -5.331  -8.654
  505    HG1  THR  72           HG1      THR  72  -1.573  -3.890  -8.712
  506   1HG2  THR  72          1HG2      THR  72  -1.957  -6.714 -10.594
  507   2HG2  THR  72          2HG2      THR  72  -0.228  -6.339 -10.758
  508   3HG2  THR  72          3HG2      THR  72  -0.752  -7.720  -9.759
  509    H    ILE  73           H        ILE  73  -0.213  -4.374  -6.786
  510    HA   ILE  73           HA       ILE  73  -2.315  -3.171  -5.005
  511    HB   ILE  73           HB       ILE  73  -0.797  -4.775  -3.644
  512   1HG1  ILE  73          1HG1      ILE  73  -2.422  -2.665  -2.954
  513   2HG1  ILE  73          2HG1      ILE  73  -1.699  -3.802  -1.830
  514   1HG2  ILE  73          1HG2      ILE  73   1.274  -3.888  -2.639
  515   2HG2  ILE  73          2HG2      ILE  73   1.463  -3.925  -4.398
  516   3HG2  ILE  73          3HG2      ILE  73   1.149  -2.379  -3.574
  517   1HD1  ILE  73          1HD1      ILE  73  -1.453  -1.208  -1.337
  518   2HD1  ILE  73          2HD1      ILE  73  -0.074  -2.288  -1.041
  519   3HD1  ILE  73          3HD1      ILE  73  -0.109  -1.283  -2.510
  520    H    ASP  74           H        ASP  74  -2.328  -1.021  -5.064
  521    HA   ASP  74           HA       ASP  74  -0.240   0.396  -6.783
  522   1HB   ASP  74          1HB       ASP  74  -2.151   2.272  -6.732
  523   2HB   ASP  74          2HB       ASP  74  -2.147   0.956  -7.884
  524    H    PHE  75           H        PHE  75  -0.276   2.889  -6.133
  525    HA   PHE  75           HA       PHE  75   1.199   2.983  -3.550
  526   1HB   PHE  75          1HB       PHE  75   2.055   4.251  -5.457
  527   2HB   PHE  75          2HB       PHE  75   0.567   5.140  -5.645
  528    HD1  PHE  75           HD1      PHE  75   1.945   4.494  -2.219
  529    HD2  PHE  75           HD2      PHE  75   1.706   7.333  -5.445
  530    HE1  PHE  75           HE1      PHE  75   2.930   6.230  -0.780
  531    HE2  PHE  75           HE2      PHE  75   2.739   9.041  -4.002
  532    HZ   PHE  75           HZ       PHE  75   3.333   8.501  -1.668
  533    H    GLU  76           H        GLU  76  -1.953   3.952  -4.781
  534    HA   GLU  76           HA       GLU  76  -2.883   5.668  -2.622
  535   1HB   GLU  76          1HB       GLU  76  -5.234   4.950  -3.368
  536   2HB   GLU  76          2HB       GLU  76  -4.474   3.896  -4.543
  537   1HG   GLU  76          1HG       GLU  76  -4.707   5.705  -5.945
  538   2HG   GLU  76          2HG       GLU  76  -3.198   6.238  -5.223
  539    H    GLU  77           H        GLU  77  -3.618   2.219  -3.215
  540    HA   GLU  77           HA       GLU  77  -4.907   1.572  -0.723
  541   1HB   GLU  77          1HB       GLU  77  -3.185  -0.592  -1.917
  542   2HB   GLU  77          2HB       GLU  77  -4.816  -0.665  -1.280
  543   1HG   GLU  77          1HG       GLU  77  -5.286   0.911  -3.510
  544   2HG   GLU  77          2HG       GLU  77  -3.873   0.034  -4.071
  545    H    PHE  78           H        PHE  78  -1.496   1.806  -1.565
  546    HA   PHE  78           HA       PHE  78  -0.283   0.489   0.715
  547   1HB   PHE  78          1HB       PHE  78   1.182   0.898  -1.087
  548   2HB   PHE  78          2HB       PHE  78   0.716   2.568  -1.271
  549    HD1  PHE  78           HD1      PHE  78   2.789   0.194   0.740
  550    HD2  PHE  78           HD2      PHE  78   1.761   4.334   0.183
  551    HE1  PHE  78           HE1      PHE  78   4.823   0.873   1.950
  552    HE2  PHE  78           HE2      PHE  78   3.792   4.994   1.405
  553    HZ   PHE  78           HZ       PHE  78   5.313   3.269   2.309
  554    H    LEU  79           H        LEU  79  -1.272   3.865   0.182
  555    HA   LEU  79           HA       LEU  79  -0.381   4.965   2.778
  556   1HB   LEU  79          1HB       LEU  79  -2.707   6.146   1.191
  557   2HB   LEU  79          2HB       LEU  79  -1.552   6.967   2.219
  558    HG   LEU  79           HG       LEU  79  -0.203   5.644  -0.082
  559   1HD1  LEU  79          1HD1      LEU  79  -0.296   8.613   0.749
  560   2HD1  LEU  79          2HD1      LEU  79   0.823   7.421   1.435
  561   3HD1  LEU  79          3HD1      LEU  79   0.918   7.832  -0.295
  562   1HD2  LEU  79          1HD2      LEU  79  -1.087   7.035  -1.905
  563   2HD2  LEU  79          2HD2      LEU  79  -2.474   6.199  -1.162
  564   3HD2  LEU  79          3HD2      LEU  79  -2.177   7.905  -0.796
  565    H    VAL  80           H        VAL  80  -3.327   3.451   1.556
  566    HA   VAL  80           HA       VAL  80  -5.171   4.075   3.736
  567    HB   VAL  80           HB       VAL  80  -5.162   1.846   1.664
  568   1HG1  VAL  80          1HG1      VAL  80  -7.212   4.107   2.091
  569   2HG1  VAL  80          2HG1      VAL  80  -5.813   4.263   1.021
  570   3HG1  VAL  80          3HG1      VAL  80  -7.047   3.029   0.681
  571   1HG2  VAL  80          1HG2      VAL  80  -7.357   1.035   2.393
  572   2HG2  VAL  80          2HG2      VAL  80  -6.268   0.914   3.794
  573   3HG2  VAL  80          3HG2      VAL  80  -7.442   2.235   3.706
  574    H    MET  81           H        MET  81  -2.725   1.583   3.232
  575    HA   MET  81           HA       MET  81  -3.432  -0.173   5.512
  576   1HB   MET  81          1HB       MET  81  -0.748   0.008   4.018
  577   2HB   MET  81          2HB       MET  81  -1.221  -1.259   5.135
  578   1HG   MET  81          1HG       MET  81  -2.908  -0.719   2.625
  579   2HG   MET  81          2HG       MET  81  -1.442  -1.710   2.555
  580   1HE   MET  81          1HE       MET  81  -3.360  -3.886   1.721
  581   2HE   MET  81          2HE       MET  81  -1.693  -3.984   2.364
  582   3HE   MET  81          3HE       MET  81  -2.969  -5.044   3.031
  583    H    MET  82           H        MET  82  -0.985   2.354   4.943
  584    HA   MET  82           HA       MET  82   0.520   2.232   7.380
  585   1HB   MET  82          1HB       MET  82   0.081   4.333   5.295
  586   2HB   MET  82          2HB       MET  82   0.503   4.976   6.871
  587   1HG   MET  82          1HG       MET  82   2.215   2.693   5.788
  588   2HG   MET  82          2HG       MET  82   2.396   4.304   5.076
  589   1HE   MET  82          1HE       MET  82   5.228   4.200   6.291
  590   2HE   MET  82          2HE       MET  82   5.258   3.404   7.893
  591   3HE   MET  82          3HE       MET  82   4.521   2.566   6.497
  592    H    VAL  83           H        VAL  83  -2.130   4.541   6.687
  593    HA   VAL  83           HA       VAL  83  -2.569   5.654   9.264
  594    HB   VAL  83           HB       VAL  83  -4.303   5.330   6.854
  595   1HG1  VAL  83          1HG1      VAL  83  -3.921   7.773   8.695
  596   2HG1  VAL  83          2HG1      VAL  83  -2.816   7.376   7.373
  597   3HG1  VAL  83          3HG1      VAL  83  -4.517   7.753   7.016
  598   1HG2  VAL  83          1HG2      VAL  83  -6.403   6.068   7.859
  599   2HG2  VAL  83          2HG2      VAL  83  -5.908   4.610   8.749
  600   3HG2  VAL  83          3HG2      VAL  83  -5.671   6.205   9.478
  601    NH1  ARG  84           NH1      ARG  84  -9.295  -1.759   6.851
  602    NH2  ARG  84           NH2      ARG  84  -9.895   0.354   7.428
  603    H    ARG  84           H        ARG  84  -3.823   2.607   7.923
  604    HA   ARG  84           HA       ARG  84  -5.599   1.662   9.967
  605   1HB   ARG  84          1HB       ARG  84  -4.573   0.542   7.656
  606   2HB   ARG  84          2HB       ARG  84  -3.704  -0.395   8.864
  607   1HG   ARG  84          1HG       ARG  84  -5.533  -1.605   9.485
  608   2HG   ARG  84          2HG       ARG  84  -6.583  -0.189   9.566
  609   1HD   ARG  84          1HD       ARG  84  -5.769  -1.135   6.786
  610   2HD   ARG  84          2HD       ARG  84  -6.903  -2.148   7.677
  611    HE   ARG  84           HE       ARG  84  -7.439   0.779   6.969
  612   1HH1  ARG  84          1HH1      ARG  84 -10.860   0.028   7.308
  613   2HH1  ARG  84          2HH1      ARG  84  -9.594   1.294   7.708
  614   1HH2  ARG  84          1HH2      ARG  84  -8.545  -2.454   6.771
  615   2HH2  ARG  84          2HH2      ARG  84 -10.297  -1.915   6.690
  616    H    GLN  85           H        GLN  85  -2.070   1.056   9.746
  617    HA   GLN  85           HA       GLN  85  -1.823  -0.442  12.257
  618   1HB   GLN  85          1HB       GLN  85   0.673   0.954  11.528
  619   2HB   GLN  85          2HB       GLN  85  -0.094   0.274  10.104
  620   1HG   GLN  85          1HG       GLN  85   1.039  -1.169  12.524
  621   2HG   GLN  85          2HG       GLN  85   1.328  -1.468  10.823
  622   1HE2  GLN  85          1HE2      GLN  85  -2.297  -2.961  10.880
  623   2HE2  GLN  85          2HE2      GLN  85  -1.596  -1.432  10.147
  624    H    MET  86           H        MET  86  -0.621   2.835  11.478
  625    HA   MET  86           HA       MET  86   0.287   3.743  13.985
  626   1HB   MET  86          1HB       MET  86  -1.247   5.831  12.448
  627   2HB   MET  86          2HB       MET  86  -0.032   4.956  11.533
  628   1HG   MET  86          1HG       MET  86   1.498   6.442  12.346
  629   2HG   MET  86          2HG       MET  86   1.363   5.620  13.909
  630   1HE   MET  86          1HE       MET  86   1.683   7.088  15.575
  631   2HE   MET  86          2HE       MET  86   2.044   8.649  14.781
  632   3HE   MET  86          3HE       MET  86   0.741   8.551  16.002
  633    H    LYS  87           H        LYS  87  -3.034   3.456  12.877
  634    HA   LYS  87           HA       LYS  87  -4.355   4.896  15.098
  635   1HB   LYS  87          1HB       LYS  87  -5.749   4.695  13.220
  636   2HB   LYS  87          2HB       LYS  87  -5.322   3.026  12.906
  637   1HG   LYS  87          1HG       LYS  87  -6.636   3.017  15.469
  638   2HG   LYS  87          2HG       LYS  87  -7.197   2.332  13.957
  639   1HD   LYS  87          1HD       LYS  87  -7.640   5.304  14.153
  640   2HD   LYS  87          2HD       LYS  87  -8.692   4.033  13.552
  641   1HE   LYS  87          1HE       LYS  87  -8.711   3.414  16.265
  642   2HE   LYS  87          2HE       LYS  87  -8.529   5.168  16.338
  643   1HZ   LYS  87          1HZ       LYS  87 -10.813   4.825  16.240
  644   2HZ   LYS  87          2HZ       LYS  87 -10.481   5.161  14.657
  645   3HZ   LYS  87          3HZ       LYS  87 -10.733   3.600  15.135
  646    H    GLU  88           H        GLU  88  -4.056   1.399  14.353
  647    HA   GLU  88           HA       GLU  88  -4.907   0.489  17.044
  648   1HB   GLU  88          1HB       GLU  88  -5.406  -1.061  15.375
  649   2HB   GLU  88          2HB       GLU  88  -3.860  -0.898  14.566
  650   1HG   GLU  88          1HG       GLU  88  -3.734  -3.058  15.530
  651   2HG   GLU  88          2HG       GLU  88  -2.799  -2.085  16.653
  652    H    ASP  89           H        ASP  89  -3.745   0.670  18.788
  653    HA   ASP  89           HA       ASP  89  -0.937  -0.265  19.006
  654   1HB   ASP  89          1HB       ASP  89  -1.052   2.402  18.216
  655   2HB   ASP  89          2HB       ASP  89  -0.986   2.573  19.955
  656    H    ALA  90           H        ALA  90  -1.827  -1.621  20.492
  657    HA   ALA  90           HA       ALA  90  -3.236  -0.593  22.962
  658   1HB   ALA  90          1HB       ALA  90  -3.921  -2.787  23.345
  659   2HB   ALA  90          2HB       ALA  90  -3.581  -2.955  21.611
  660   3HB   ALA  90          3HB       ALA  90  -2.384  -3.508  22.807
   
  Start of MODEL          35
 Raw file had  660 H/Q atoms
  Start of MODEL   35
    1   1H    ALA   1          1H        ALA   1 -21.574   0.236   0.240
    2   2H    ALA   1          2H        ALA   1 -19.946   0.549  -0.045
    3   3H    ALA   1          3H        ALA   1 -20.764  -0.574  -0.991
    4    HA   ALA   1           HA       ALA   1 -20.758  -0.999   1.883
    5   1HB   ALA   1          1HB       ALA   1 -20.384  -3.446   0.911
    6   2HB   ALA   1          2HB       ALA   1 -21.972  -2.677   0.728
    7   3HB   ALA   1          3HB       ALA   1 -20.844  -2.728  -0.651
    8    H    SER   2           H        SER   2 -18.699  -2.216  -0.768
    9    HA   SER   2           HA       SER   2 -16.299  -2.604   0.872
   10   1HB   SER   2          1HB       SER   2 -17.121  -3.469  -1.637
   11   2HB   SER   2          2HB       SER   2 -15.832  -2.341  -2.064
   12    HG   SER   2           HG       SER   2 -15.531  -4.244   0.005
   13    H    MET   3           H        MET   3 -15.721  -0.743   1.908
   14    HA   MET   3           HA       MET   3 -14.533   1.319   2.276
   15   1HB   MET   3          1HB       MET   3 -13.655   1.223  -0.654
   16   2HB   MET   3          2HB       MET   3 -12.841   1.967   0.710
   17   1HG   MET   3          1HG       MET   3 -12.345  -0.312   1.687
   18   2HG   MET   3          2HG       MET   3 -13.181  -1.074   0.325
   19   1HE   MET   3          1HE       MET   3 -11.299   2.337  -0.543
   20   2HE   MET   3          2HE       MET   3 -10.556   1.838   1.005
   21   3HE   MET   3          3HE       MET   3  -9.586   1.813  -0.497
   22    H    THR   4           H        THR   4 -16.758   2.120   2.440
   23    HA   THR   4           HA       THR   4 -18.241   3.469   0.342
   24    HB   THR   4           HB       THR   4 -18.267   3.719   3.357
   25    HG1  THR   4           HG1      THR   4 -19.991   2.889   1.295
   26   1HG2  THR   4          1HG2      THR   4 -20.163   5.296   3.317
   27   2HG2  THR   4          2HG2      THR   4 -18.731   6.094   2.631
   28   3HG2  THR   4          3HG2      THR   4 -20.030   5.512   1.559
   29    H    ASP   5           H        ASP   5 -15.643   4.566   2.488
   30    HA   ASP   5           HA       ASP   5 -14.679   6.628   0.577
   31   1HB   ASP   5          1HB       ASP   5 -16.813   7.624   1.918
   32   2HB   ASP   5          2HB       ASP   5 -15.608   7.940   3.145
   33    H    GLN   6           H        GLN   6 -13.644   4.364   1.848
   34    HA   GLN   6           HA       GLN   6 -11.869   5.192   4.148
   35   1HB   GLN   6          1HB       GLN   6 -12.487   2.576   2.742
   36   2HB   GLN   6          2HB       GLN   6 -10.920   2.729   3.516
   37   1HG   GLN   6          1HG       GLN   6 -12.171   1.797   5.245
   38   2HG   GLN   6          2HG       GLN   6 -12.242   3.494   5.670
   39   1HE2  GLN   6          1HE2      GLN   6 -15.704   1.489   4.677
   40   2HE2  GLN   6          2HE2      GLN   6 -14.048   0.743   4.420
   41    H    GLN   7           H        GLN   7 -11.701   4.553   0.685
   42    HA   GLN   7           HA       GLN   7  -8.911   4.287   0.147
   43   1HB   GLN   7          1HB       GLN   7 -11.124   4.520  -1.469
   44   2HB   GLN   7          2HB       GLN   7 -10.411   6.101  -1.734
   45   1HG   GLN   7          1HG       GLN   7  -8.355   5.176  -2.628
   46   2HG   GLN   7          2HG       GLN   7  -8.713   3.563  -2.046
   47   1HE2  GLN   7          1HE2      GLN   7 -10.535   4.903  -5.541
   48   2HE2  GLN   7          2HE2      GLN   7  -9.938   6.095  -4.280
   49    H    ALA   8           H        ALA   8 -10.782   7.345   0.273
   50    HA   ALA   8           HA       ALA   8  -8.308   9.043   0.100
   51   1HB   ALA   8          1HB       ALA   8 -10.021  10.026  -1.129
   52   2HB   ALA   8          2HB       ALA   8 -11.298   9.570   0.016
   53   3HB   ALA   8          3HB       ALA   8 -10.203  10.924   0.397
   54    H    GLU   9           H        GLU   9 -10.581   7.908   2.519
   55    HA   GLU   9           HA       GLU   9 -10.450   9.792   4.632
   56   1HB   GLU   9          1HB       GLU   9 -11.950   8.064   5.027
   57   2HB   GLU   9          2HB       GLU   9 -10.813   6.793   4.623
   58   1HG   GLU   9          1HG       GLU   9 -10.365   8.471   7.153
   59   2HG   GLU   9          2HG       GLU   9  -9.749   6.869   6.787
   60    H    ALA  10           H        ALA  10  -8.007   7.482   3.597
   61    HA   ALA  10           HA       ALA  10  -6.119   7.646   5.816
   62   1HB   ALA  10          1HB       ALA  10  -4.422   6.805   4.199
   63   2HB   ALA  10          2HB       ALA  10  -5.942   5.900   4.072
   64   3HB   ALA  10          3HB       ALA  10  -5.524   7.113   2.836
   65    NH1  ARG  11           NH1      ARG  11  -6.040  11.475  -2.375
   66    NH2  ARG  11           NH2      ARG  11  -3.885  11.727  -3.048
   67    H    ARG  11           H        ARG  11  -5.889   9.240   2.616
   68    HA   ARG  11           HA       ARG  11  -3.854  11.198   3.023
   69   1HB   ARG  11          1HB       ARG  11  -4.650  11.135   0.817
   70   2HB   ARG  11          2HB       ARG  11  -6.341  11.143   1.297
   71   1HG   ARG  11          1HG       ARG  11  -6.363  13.515   1.756
   72   2HG   ARG  11          2HG       ARG  11  -4.602  13.630   1.747
   73   1HD   ARG  11          1HD       ARG  11  -5.230  14.527  -0.381
   74   2HD   ARG  11          2HD       ARG  11  -6.495  13.328  -0.643
   75    HE   ARG  11           HE       ARG  11  -3.553  12.490  -0.693
   76   1HH1  ARG  11          1HH1      ARG  11  -6.173  10.967  -3.256
   77   2HH1  ARG  11          2HH1      ARG  11  -6.748  11.648  -1.652
   78   1HH2  ARG  11          1HH2      ARG  11  -2.966  12.149  -2.873
   79   2HH2  ARG  11          2HH2      ARG  11  -4.153  11.148  -3.851
   80    H    ALA  12           H        ALA  12  -7.155  11.143   4.229
   81    HA   ALA  12           HA       ALA  12  -7.785  13.807   4.908
   82   1HB   ALA  12          1HB       ALA  12  -9.154  12.937   6.791
   83   2HB   ALA  12          2HB       ALA  12  -9.327  11.917   5.349
   84   3HB   ALA  12          3HB       ALA  12  -8.323  11.364   6.713
   85    H    PHE  13           H        PHE  13  -6.304  11.585   7.311
   86    HA   PHE  13           HA       PHE  13  -5.308  13.892   8.952
   87   1HB   PHE  13          1HB       PHE  13  -4.568  11.516  10.246
   88   2HB   PHE  13          2HB       PHE  13  -5.994  12.504  10.575
   89    HD1  PHE  13           HD1      PHE  13  -4.934   9.700   8.217
   90    HD2  PHE  13           HD2      PHE  13  -8.129  11.423  10.531
   91    HE1  PHE  13           HE1      PHE  13  -6.261   7.646   7.935
   92    HE2  PHE  13           HE2      PHE  13  -9.440   9.359  10.237
   93    HZ   PHE  13           HZ       PHE  13  -8.486   7.447   8.994
   94    H    LEU  14           H        LEU  14  -4.035  13.453   6.411
   95    HA   LEU  14           HA       LEU  14  -1.173  12.751   7.235
   96   1HB   LEU  14          1HB       LEU  14  -2.687  11.647   4.804
   97   2HB   LEU  14          2HB       LEU  14  -0.938  11.709   4.854
   98    HG   LEU  14           HG       LEU  14  -2.799  10.057   6.656
   99   1HD1  LEU  14          1HD1      LEU  14   0.254  10.306   7.023
  100   2HD1  LEU  14          2HD1      LEU  14  -0.943  11.090   8.070
  101   3HD1  LEU  14          3HD1      LEU  14  -0.863   9.312   7.993
  102   1HD2  LEU  14          1HD2      LEU  14  -1.638   8.104   5.713
  103   2HD2  LEU  14          2HD2      LEU  14  -2.136   9.134   4.349
  104   3HD2  LEU  14          3HD2      LEU  14  -0.448   9.136   4.881
  105    H    SER  15           H        SER  15   0.142  14.324   6.737
  106    HA   SER  15           HA       SER  15  -0.703  16.780   5.262
  107   1HB   SER  15          1HB       SER  15   1.882  17.318   5.648
  108   2HB   SER  15          2HB       SER  15   0.710  17.405   6.966
  109    HG   SER  15           HG       SER  15   1.492  15.643   7.825
  110    H    GLU  16           H        GLU  16   0.286  17.582   3.373
  111    HA   GLU  16           HA       GLU  16   0.513  15.665   1.152
  112   1HB   GLU  16          1HB       GLU  16   0.670  18.643   1.437
  113   2HB   GLU  16          2HB       GLU  16   1.568  17.983   0.085
  114   1HG   GLU  16          1HG       GLU  16  -0.425  17.069  -0.956
  115   2HG   GLU  16          2HG       GLU  16  -1.367  17.190   0.520
  116    H    GLU  17           H        GLU  17   2.789  17.294   3.252
  117    HA   GLU  17           HA       GLU  17   5.259  17.054   1.761
  118   1HB   GLU  17          1HB       GLU  17   4.953  16.943   4.807
  119   2HB   GLU  17          2HB       GLU  17   6.488  17.063   3.971
  120   1HG   GLU  17          1HG       GLU  17   5.904  19.297   3.061
  121   2HG   GLU  17          2HG       GLU  17   4.251  19.158   3.635
  122    H    MET  18           H        MET  18   3.735  14.761   4.030
  123    HA   MET  18           HA       MET  18   5.800  12.713   4.045
  124   1HB   MET  18          1HB       MET  18   4.398  11.418   5.324
  125   2HB   MET  18          2HB       MET  18   2.999  11.683   4.301
  126   1HG   MET  18          1HG       MET  18   2.565  13.899   5.334
  127   2HG   MET  18          2HG       MET  18   2.685  12.651   6.584
  128   1HE   MET  18          1HE       MET  18   4.977  14.055   9.025
  129   2HE   MET  18          2HE       MET  18   3.432  14.856   8.613
  130   3HE   MET  18          3HE       MET  18   3.552  13.073   8.557
  131    H    ILE  19           H        ILE  19   3.113  13.367   1.861
  132    HA   ILE  19           HA       ILE  19   3.037  10.857   0.369
  133    HB   ILE  19           HB       ILE  19   2.144  13.672  -0.372
  134   1HG1  ILE  19          1HG1      ILE  19  -0.127  12.817  -0.185
  135   2HG1  ILE  19          2HG1      ILE  19   0.401  11.147  -0.166
  136   1HG2  ILE  19          1HG2      ILE  19   1.165  12.806  -2.508
  137   2HG2  ILE  19          2HG2      ILE  19   2.918  12.624  -2.522
  138   3HG2  ILE  19          3HG2      ILE  19   1.890  11.205  -2.218
  139   1HD1  ILE  19          1HD1      ILE  19   0.824  13.116   2.157
  140   2HD1  ILE  19          2HD1      ILE  19  -0.298  11.742   2.085
  141   3HD1  ILE  19          3HD1      ILE  19   1.457  11.448   2.108
  142    H    ALA  20           H        ALA  20   4.828  13.900  -0.140
  143    HA   ALA  20           HA       ALA  20   6.273  13.447  -2.525
  144   1HB   ALA  20          1HB       ALA  20   7.581  14.640  -0.017
  145   2HB   ALA  20          2HB       ALA  20   7.969  14.989  -1.713
  146   3HB   ALA  20          3HB       ALA  20   6.412  15.521  -1.030
  147    H    GLU  21           H        GLU  21   7.473  12.575   0.741
  148    HA   GLU  21           HA       GLU  21   9.775  10.997  -0.290
  149   1HB   GLU  21          1HB       GLU  21  10.139  10.425   2.162
  150   2HB   GLU  21          2HB       GLU  21   8.703  11.348   2.559
  151   1HG   GLU  21          1HG       GLU  21  10.883  12.759   0.952
  152   2HG   GLU  21          2HG       GLU  21   9.723  13.441   2.080
  153    H    PHE  22           H        PHE  22   6.464  10.316   0.265
  154    HA   PHE  22           HA       PHE  22   6.639   7.530   1.247
  155   1HB   PHE  22          1HB       PHE  22   4.129   7.530   0.300
  156   2HB   PHE  22          2HB       PHE  22   4.369   9.251   0.150
  157    HD1  PHE  22           HD1      PHE  22   2.535   9.598   1.862
  158    HD2  PHE  22           HD2      PHE  22   6.187   7.578   2.916
  159    HE1  PHE  22           HE1      PHE  22   1.851   9.571   4.224
  160    HE2  PHE  22           HE2      PHE  22   5.484   7.563   5.275
  161    HZ   PHE  22           HZ       PHE  22   3.292   8.501   5.924
  162    H    LYS  23           H        LYS  23   5.428   8.811  -1.869
  163    HA   LYS  23           HA       LYS  23   5.485   6.492  -3.517
  164   1HB   LYS  23          1HB       LYS  23   6.125   8.149  -5.459
  165   2HB   LYS  23          2HB       LYS  23   4.576   8.303  -4.658
  166   1HG   LYS  23          1HG       LYS  23   6.311  10.004  -3.158
  167   2HG   LYS  23          2HG       LYS  23   6.842  10.210  -4.816
  168   1HD   LYS  23          1HD       LYS  23   4.990  11.832  -3.898
  169   2HD   LYS  23          2HD       LYS  23   3.893  10.465  -4.005
  170   1HE   LYS  23          1HE       LYS  23   4.839  10.343  -6.562
  171   2HE   LYS  23          2HE       LYS  23   3.442  11.321  -6.109
  172   1HZ   LYS  23          1HZ       LYS  23   6.120  12.542  -5.912
  173   2HZ   LYS  23          2HZ       LYS  23   5.449  12.350  -7.409
  174   3HZ   LYS  23          3HZ       LYS  23   4.671  13.252  -6.264
  175    H    ALA  24           H        ALA  24   8.143   8.560  -2.465
  176    HA   ALA  24           HA       ALA  24  10.313   7.873  -4.156
  177   1HB   ALA  24          1HB       ALA  24  11.834   8.378  -2.255
  178   2HB   ALA  24          2HB       ALA  24  10.513   9.558  -2.351
  179   3HB   ALA  24          3HB       ALA  24  10.479   8.285  -1.105
  180    H    ALA  25           H        ALA  25   9.462   6.203  -1.102
  181    HA   ALA  25           HA       ALA  25  11.394   3.994  -1.391
  182   1HB   ALA  25          1HB       ALA  25  10.227   2.989   0.563
  183   2HB   ALA  25          2HB       ALA  25  10.566   4.709   0.832
  184   3HB   ALA  25          3HB       ALA  25   8.912   4.181   0.432
  185    H    PHE  26           H        PHE  26   8.037   4.494  -2.310
  186    HA   PHE  26           HA       PHE  26   7.157   1.804  -2.875
  187   1HB   PHE  26          1HB       PHE  26   6.326   4.288  -4.485
  188   2HB   PHE  26          2HB       PHE  26   5.745   3.966  -2.872
  189    HD1  PHE  26           HD1      PHE  26   4.077   4.192  -5.488
  190    HD2  PHE  26           HD2      PHE  26   5.628   0.775  -3.385
  191    HE1  PHE  26           HE1      PHE  26   2.277   2.791  -6.415
  192    HE2  PHE  26           HE2      PHE  26   3.811  -0.607  -4.308
  193    HZ   PHE  26           HZ       PHE  26   2.133   0.397  -5.818
  194    H    ASP  27           H        ASP  27   9.092   4.085  -4.750
  195    HA   ASP  27           HA       ASP  27   9.056   2.556  -7.300
  196   1HB   ASP  27          1HB       ASP  27   9.504   5.166  -6.870
  197   2HB   ASP  27          2HB       ASP  27  11.174   4.663  -6.742
  198    H    MET  28           H        MET  28  11.067   2.667  -4.440
  199    HA   MET  28           HA       MET  28  13.498   1.379  -5.375
  200   1HB   MET  28          1HB       MET  28  13.565   0.392  -2.903
  201   2HB   MET  28          2HB       MET  28  12.179   1.432  -2.628
  202   1HG   MET  28          1HG       MET  28  14.629   2.720  -3.903
  203   2HG   MET  28          2HG       MET  28  13.426   3.422  -2.810
  204   1HE   MET  28          1HE       MET  28  14.703   4.555  -1.367
  205   2HE   MET  28          2HE       MET  28  15.528   3.871   0.064
  206   3HE   MET  28          3HE       MET  28  16.451   4.165  -1.438
  207    H    PHE  29           H        PHE  29  10.339   0.098  -4.465
  208    HA   PHE  29           HA       PHE  29  11.237  -2.775  -5.106
  209   1HB   PHE  29          1HB       PHE  29   9.223  -3.523  -3.741
  210   2HB   PHE  29          2HB       PHE  29   8.905  -1.865  -3.313
  211    HD1  PHE  29           HD1      PHE  29   9.121  -3.446  -1.031
  212    HD2  PHE  29           HD2      PHE  29  12.415  -1.928  -3.350
  213    HE1  PHE  29           HE1      PHE  29  10.586  -3.573   0.943
  214    HE2  PHE  29           HE2      PHE  29  13.863  -2.072  -1.366
  215    HZ   PHE  29           HZ       PHE  29  12.956  -2.893   0.778
  216    H    ASP  30           H        ASP  30  10.539  -0.753  -7.021
  217    HA   ASP  30           HA       ASP  30   7.964  -1.908  -8.222
  218   1HB   ASP  30          1HB       ASP  30   7.885   0.606  -7.442
  219   2HB   ASP  30          2HB       ASP  30   8.889   0.938  -8.834
  220    H    ALA  31           H        ALA  31   9.077  -3.474  -9.321
  221    HA   ALA  31           HA       ALA  31  11.437  -3.096 -11.036
  222   1HB   ALA  31          1HB       ALA  31  10.886  -5.363 -11.931
  223   2HB   ALA  31          2HB       ALA  31  10.808  -5.321 -10.159
  224   3HB   ALA  31          3HB       ALA  31   9.304  -5.333 -11.116
  225    H    ASP  32           H        ASP  32   7.979  -2.734 -11.499
  226    HA   ASP  32           HA       ASP  32   8.070  -2.669 -14.500
  227   1HB   ASP  32          1HB       ASP  32   5.597  -1.911 -14.284
  228   2HB   ASP  32          2HB       ASP  32   5.755  -2.169 -12.561
  229    H    GLY  33           H        GLY  33   6.262  -0.250 -12.710
  230   1HA   GLY  33          1HA       GLY  33   7.451   1.945 -14.442
  231   2HA   GLY  33          2HA       GLY  33   7.671   2.155 -12.704
  232    H    GLY  34           H        GLY  34   4.872   0.680 -14.317
  233   1HA   GLY  34          1HA       GLY  34   3.010   2.799 -14.653
  234   2HA   GLY  34          2HA       GLY  34   2.516   1.176 -14.166
  235    H    GLY  35           H        GLY  35   4.081   1.272 -11.667
  236   1HA   GLY  35          1HA       GLY  35   4.089   2.677  -9.517
  237   2HA   GLY  35          2HA       GLY  35   2.536   3.346 -10.026
  238    H    ASP  36           H        ASP  36   3.665  -0.025 -10.041
  239    HA   ASP  36           HA       ASP  36   1.675  -0.770  -7.853
  240   1HB   ASP  36          1HB       ASP  36   1.423  -3.017  -9.398
  241   2HB   ASP  36          2HB       ASP  36   1.649  -1.841 -10.673
  242    H    ILE  37           H        ILE  37   2.201  -2.772  -6.818
  243    HA   ILE  37           HA       ILE  37   4.937  -4.023  -7.259
  244    HB   ILE  37           HB       ILE  37   5.653  -3.741  -4.921
  245   1HG1  ILE  37          1HG1      ILE  37   3.217  -1.866  -4.618
  246   2HG1  ILE  37          2HG1      ILE  37   4.607  -1.786  -3.556
  247   1HG2  ILE  37          1HG2      ILE  37   6.485  -1.395  -5.133
  248   2HG2  ILE  37          2HG2      ILE  37   6.519  -2.199  -6.708
  249   3HG2  ILE  37          3HG2      ILE  37   5.235  -1.022  -6.344
  250   1HD1  ILE  37          1HD1      ILE  37   4.243  -4.083  -2.705
  251   2HD1  ILE  37          2HD1      ILE  37   2.764  -3.112  -2.540
  252   3HD1  ILE  37          3HD1      ILE  37   2.888  -4.317  -3.842
  253    H    SER  38           H        SER  38   5.118  -6.027  -6.125
  254    HA   SER  38           HA       SER  38   2.624  -7.645  -6.106
  255   1HB   SER  38          1HB       SER  38   5.282  -8.251  -6.505
  256   2HB   SER  38          2HB       SER  38   5.075  -8.829  -4.850
  257    HG   SER  38           HG       SER  38   4.535 -10.268  -6.660
  258    H    THR  39           H        THR  39   1.869  -8.852  -4.284
  259    HA   THR  39           HA       THR  39   1.662  -7.219  -1.769
  260    HB   THR  39           HB       THR  39  -0.179  -8.519  -1.116
  261    HG1  THR  39           HG1      THR  39  -0.427 -10.443  -2.835
  262   1HG2  THR  39          1HG2      THR  39  -1.733  -8.601  -3.015
  263   2HG2  THR  39          2HG2      THR  39  -0.721  -7.147  -3.172
  264   3HG2  THR  39          3HG2      THR  39  -0.398  -8.575  -4.189
  265    H    LYS  40           H        LYS  40   3.967  -9.287  -2.807
  266    HA   LYS  40           HA       LYS  40   4.197 -11.094  -0.393
  267   1HB   LYS  40          1HB       LYS  40   4.731 -11.746  -2.893
  268   2HB   LYS  40          2HB       LYS  40   6.244 -10.894  -2.671
  269   1HG   LYS  40          1HG       LYS  40   7.105 -12.836  -1.905
  270   2HG   LYS  40          2HG       LYS  40   6.205 -12.580  -0.423
  271   1HD   LYS  40          1HD       LYS  40   4.346 -14.019  -1.198
  272   2HD   LYS  40          2HD       LYS  40   5.000 -14.058  -2.828
  273   1HE   LYS  40          1HE       LYS  40   6.692 -15.612  -2.321
  274   2HE   LYS  40          2HE       LYS  40   6.799 -15.147  -0.622
  275   1HZ   LYS  40          1HZ       LYS  40   4.309 -16.402  -1.600
  276   2HZ   LYS  40          2HZ       LYS  40   5.632 -17.351  -1.318
  277   3HZ   LYS  40          3HZ       LYS  40   4.980 -16.456  -0.091
  278    H    GLU  41           H        GLU  41   5.708  -8.280  -1.885
  279    HA   GLU  41           HA       GLU  41   7.822  -8.099   0.304
  280   1HB   GLU  41          1HB       GLU  41   8.965  -6.448  -1.189
  281   2HB   GLU  41          2HB       GLU  41   8.841  -8.071  -1.836
  282   1HG   GLU  41          1HG       GLU  41   8.163  -5.673  -3.169
  283   2HG   GLU  41          2HG       GLU  41   6.588  -6.306  -2.724
  284    H    LEU  42           H        LEU  42   4.979  -6.531  -0.994
  285    HA   LEU  42           HA       LEU  42   4.985  -3.871  -0.261
  286   1HB   LEU  42          1HB       LEU  42   2.838  -5.980  -0.209
  287   2HB   LEU  42          2HB       LEU  42   2.938  -4.499  -1.137
  288    HG   LEU  42           HG       LEU  42   2.419  -4.325   1.874
  289   1HD1  LEU  42          1HD1      LEU  42   0.176  -4.781  -0.193
  290   2HD1  LEU  42          2HD1      LEU  42   0.788  -6.044   0.886
  291   3HD1  LEU  42          3HD1      LEU  42  -0.003  -4.601   1.571
  292   1HD2  LEU  42          1HD2      LEU  42   1.252  -2.226   1.301
  293   2HD2  LEU  42          2HD2      LEU  42   2.845  -2.208   0.504
  294   3HD2  LEU  42          3HD2      LEU  42   1.391  -2.564  -0.444
  295    H    GLY  43           H        GLY  43   4.411  -6.561   2.030
  296   1HA   GLY  43          1HA       GLY  43   4.473  -6.648   4.476
  297   2HA   GLY  43          2HA       GLY  43   4.117  -4.920   4.463
  298    H    THR  44           H        THR  44   6.871  -6.807   3.142
  299    HA   THR  44           HA       THR  44   8.948  -6.167   4.910
  300    HB   THR  44           HB       THR  44   8.941  -6.782   1.988
  301    HG1  THR  44           HG1      THR  44  10.531  -8.226   2.806
  302   1HG2  THR  44          1HG2      THR  44  11.403  -6.463   1.736
  303   2HG2  THR  44          2HG2      THR  44  10.572  -4.902   1.906
  304   3HG2  THR  44          3HG2      THR  44  11.466  -5.589   3.287
  305    H    VAL  45           H        VAL  45   7.272  -4.067   2.677
  306    HA   VAL  45           HA       VAL  45   9.144  -1.757   2.794
  307    HB   VAL  45           HB       VAL  45   6.205  -1.498   2.038
  308   1HG1  VAL  45          1HG1      VAL  45   8.382  -2.437   0.067
  309   2HG1  VAL  45          2HG1      VAL  45   7.209  -3.530   0.810
  310   3HG1  VAL  45          3HG1      VAL  45   6.641  -2.222  -0.252
  311   1HG2  VAL  45          1HG2      VAL  45   6.931   0.298   0.554
  312   2HG2  VAL  45          2HG2      VAL  45   7.703   0.608   2.126
  313   3HG2  VAL  45          3HG2      VAL  45   8.654  -0.085   0.805
  314    H    MET  46           H        MET  46   5.970  -2.554   4.257
  315    HA   MET  46           HA       MET  46   5.532  -0.280   5.941
  316   1HB   MET  46          1HB       MET  46   4.873  -3.156   6.798
  317   2HB   MET  46          2HB       MET  46   4.126  -1.678   7.377
  318   1HG   MET  46          1HG       MET  46   3.474  -1.324   4.775
  319   2HG   MET  46          2HG       MET  46   3.737  -3.074   4.697
  320   1HE   MET  46          1HE       MET  46   1.434  -3.796   8.163
  321   2HE   MET  46          2HE       MET  46   2.808  -4.480   7.244
  322   3HE   MET  46          3HE       MET  46   3.039  -3.002   8.224
  323    NH1  ARG  47           NH1      ARG  47  10.934  -5.626  12.799
  324    NH2  ARG  47           NH2      ARG  47  10.848  -7.895  12.758
  325    H    ARG  47           H        ARG  47   7.800  -2.934   6.299
  326    HA   ARG  47           HA       ARG  47   8.565  -2.158   9.149
  327   1HB   ARG  47          1HB       ARG  47   8.194  -4.648   8.069
  328   2HB   ARG  47          2HB       ARG  47   9.905  -4.455   7.713
  329   1HG   ARG  47          1HG       ARG  47   8.566  -4.854  10.361
  330   2HG   ARG  47          2HG       ARG  47   9.837  -3.629  10.389
  331   1HD   ARG  47          1HD       ARG  47  11.535  -5.173  10.127
  332   2HD   ARG  47          2HD       ARG  47  10.677  -6.068   8.874
  333    HE   ARG  47           HE       ARG  47   9.576  -7.442  10.614
  334   1HH1  ARG  47          1HH1      ARG  47  11.249  -7.849  13.702
  335   2HH1  ARG  47          2HH1      ARG  47  10.567  -8.741  12.250
  336   1HH2  ARG  47          1HH2      ARG  47  10.899  -4.749  12.267
  337   2HH2  ARG  47          2HH2      ARG  47  11.141  -5.731  13.799
  338    H    MET  48           H        MET  48   9.731  -2.111   5.841
  339    HA   MET  48           HA       MET  48  12.620  -1.705   6.482
  340   1HB   MET  48          1HB       MET  48  12.581  -0.950   3.890
  341   2HB   MET  48          2HB       MET  48  11.002  -1.716   3.911
  342   1HG   MET  48          1HG       MET  48  12.364  -3.778   5.044
  343   2HG   MET  48          2HG       MET  48  12.283  -3.555   3.289
  344   1HE   MET  48          1HE       MET  48  15.015  -5.092   5.078
  345   2HE   MET  48          2HE       MET  48  14.227  -5.238   3.479
  346   3HE   MET  48          3HE       MET  48  15.941  -4.740   3.585
  347    H    LEU  49           H        LEU  49   9.993   0.296   6.858
  348    HA   LEU  49           HA       LEU  49  11.384   2.905   6.194
  349   1HB   LEU  49          1HB       LEU  49   9.274   3.897   7.351
  350   2HB   LEU  49          2HB       LEU  49   8.643   2.266   7.419
  351    HG   LEU  49           HG       LEU  49   8.775   2.113   4.885
  352   1HD1  LEU  49          1HD1      LEU  49   9.442   5.124   4.954
  353   2HD1  LEU  49          2HD1      LEU  49  10.617   3.852   4.573
  354   3HD1  LEU  49          3HD1      LEU  49   9.215   4.111   3.506
  355   1HD2  LEU  49          1HD2      LEU  49   6.772   3.466   4.436
  356   2HD2  LEU  49          2HD2      LEU  49   6.644   2.872   6.110
  357   3HD2  LEU  49          3HD2      LEU  49   7.122   4.549   5.807
  358    H    GLY  50           H        GLY  50  10.544   0.819   8.910
  359   1HA   GLY  50          1HA       GLY  50  12.548   0.903  10.734
  360   2HA   GLY  50          2HA       GLY  50  12.091   2.607  10.852
  361    H    GLN  51           H        GLN  51  10.163  -0.378  10.545
  362    HA   GLN  51           HA       GLN  51   8.396   0.524  12.891
  363   1HB   GLN  51          1HB       GLN  51   7.585   0.061  10.296
  364   2HB   GLN  51          2HB       GLN  51   7.382  -1.550  10.961
  365   1HG   GLN  51          1HG       GLN  51   5.264  -0.376  11.142
  366   2HG   GLN  51          2HG       GLN  51   5.870  -0.672  12.759
  367   1HE2  GLN  51          1HE2      GLN  51   5.052   3.144  11.618
  368   2HE2  GLN  51          2HE2      GLN  51   4.470   1.612  10.791
  369    H    ASN  52           H        ASN  52   7.268  -1.445  13.893
  370    HA   ASN  52           HA       ASN  52   9.453  -3.348  14.777
  371   1HB   ASN  52          1HB       ASN  52   8.502  -3.371  16.924
  372   2HB   ASN  52          2HB       ASN  52   8.318  -1.709  16.406
  373   1HD2  ASN  52          1HD2      ASN  52   4.707  -1.907  16.656
  374   2HD2  ASN  52          2HD2      ASN  52   6.128  -0.973  15.967
  375    HA   PRO  53           HA       PRO  53   5.004  -5.917  14.132
  376   1HB   PRO  53          1HB       PRO  53   3.651  -5.590  12.155
  377   2HB   PRO  53          2HB       PRO  53   5.044  -5.036  11.210
  378   1HG   PRO  53          1HG       PRO  53   4.126  -2.941  11.757
  379   2HG   PRO  53          2HG       PRO  53   3.517  -3.452  13.348
  380   1HD   PRO  53          1HD       PRO  53   6.279  -2.514  12.534
  381   2HD   PRO  53          2HD       PRO  53   5.529  -2.510  14.159
  382    H    THR  54           H        THR  54   5.310  -8.032  13.723
  383    HA   THR  54           HA       THR  54   8.009  -8.895  12.674
  384    HB   THR  54           HB       THR  54   6.865  -9.654  14.934
  385    HG1  THR  54           HG1      THR  54   8.144 -11.481  14.816
  386   1HG2  THR  54          1HG2      THR  54   5.829 -11.899  14.848
  387   2HG2  THR  54          2HG2      THR  54   4.816 -10.736  13.962
  388   3HG2  THR  54          3HG2      THR  54   5.843 -11.885  13.068
  389    H    LYS  55           H        LYS  55   7.229 -11.566  12.027
  390    HA   LYS  55           HA       LYS  55   6.459 -11.121   9.152
  391   1HB   LYS  55          1HB       LYS  55   7.013 -13.605   8.912
  392   2HB   LYS  55          2HB       LYS  55   8.340 -12.560   9.374
  393   1HG   LYS  55          1HG       LYS  55   7.227 -13.492  11.851
  394   2HG   LYS  55          2HG       LYS  55   8.778 -13.894  11.143
  395   1HD   LYS  55          1HD       LYS  55   6.263 -15.424  10.258
  396   2HD   LYS  55          2HD       LYS  55   7.949 -15.895  10.110
  397   1HE   LYS  55          1HE       LYS  55   6.806 -15.520  12.917
  398   2HE   LYS  55          2HE       LYS  55   6.411 -16.990  12.024
  399   1HZ   LYS  55          1HZ       LYS  55   8.614 -17.669  12.056
  400   2HZ   LYS  55          2HZ       LYS  55   9.239 -16.147  12.213
  401   3HZ   LYS  55          3HZ       LYS  55   8.525 -16.885  13.508
  402    H    GLU  56           H        GLU  56   5.262 -12.816  12.028
  403    HA   GLU  56           HA       GLU  56   3.055 -14.279  10.779
  404   1HB   GLU  56          1HB       GLU  56   4.090 -14.809  13.028
  405   2HB   GLU  56          2HB       GLU  56   3.258 -13.428  13.715
  406   1HG   GLU  56          1HG       GLU  56   1.746 -15.739  12.342
  407   2HG   GLU  56          2HG       GLU  56   1.045 -14.450  13.306
  408    H    GLU  57           H        GLU  57   3.383 -11.054  12.156
  409    HA   GLU  57           HA       GLU  57   0.508 -10.285  12.053
  410   1HB   GLU  57          1HB       GLU  57   2.707  -8.200  11.997
  411   2HB   GLU  57          2HB       GLU  57   1.126  -8.139  12.751
  412   1HG   GLU  57          1HG       GLU  57   3.697  -9.402  13.786
  413   2HG   GLU  57          2HG       GLU  57   2.184 -10.135  14.293
  414    H    LEU  58           H        LEU  58   3.341 -10.014   9.948
  415    HA   LEU  58           HA       LEU  58   2.309  -8.338   7.825
  416   1HB   LEU  58          1HB       LEU  58   4.718  -9.147   8.098
  417   2HB   LEU  58          2HB       LEU  58   4.232 -10.711   7.479
  418    HG   LEU  58           HG       LEU  58   3.728  -8.200   5.798
  419   1HD1  LEU  58          1HD1      LEU  58   5.976  -8.511   4.713
  420   2HD1  LEU  58          2HD1      LEU  58   6.138  -8.053   6.415
  421   3HD1  LEU  58          3HD1      LEU  58   6.402  -9.745   5.927
  422   1HD2  LEU  58          1HD2      LEU  58   4.288 -11.134   4.995
  423   2HD2  LEU  58          2HD2      LEU  58   2.693 -10.341   4.998
  424   3HD2  LEU  58          3HD2      LEU  58   3.952  -9.787   3.879
  425    H    ASP  59           H        ASP  59   1.911 -11.767   8.533
  426    HA   ASP  59           HA       ASP  59   0.622 -12.567   6.009
  427   1HB   ASP  59          1HB       ASP  59   1.017 -13.912   8.691
  428   2HB   ASP  59          2HB       ASP  59   1.540 -14.403   7.096
  429    H    ALA  60           H        ALA  60  -0.515 -11.269   9.073
  430    HA   ALA  60           HA       ALA  60  -3.409 -11.605   8.751
  431   1HB   ALA  60          1HB       ALA  60  -3.614  -9.791  10.446
  432   2HB   ALA  60          2HB       ALA  60  -2.400 -10.992  10.926
  433   3HB   ALA  60          3HB       ALA  60  -1.883  -9.408  10.293
  434    H    ILE  61           H        ILE  61  -1.294  -8.782   8.095
  435    HA   ILE  61           HA       ILE  61  -3.108  -6.989   6.882
  436    HB   ILE  61           HB       ILE  61  -0.136  -7.349   6.579
  437   1HG1  ILE  61          1HG1      ILE  61  -0.348  -4.738   7.117
  438   2HG1  ILE  61          2HG1      ILE  61  -1.998  -5.115   7.561
  439   1HG2  ILE  61          1HG2      ILE  61   0.057  -5.514   4.879
  440   2HG2  ILE  61          2HG2      ILE  61  -0.805  -6.897   4.207
  441   3HG2  ILE  61          3HG2      ILE  61  -1.716  -5.456   4.715
  442   1HD1  ILE  61          1HD1      ILE  61   0.474  -6.334   8.924
  443   2HD1  ILE  61          2HD1      ILE  61  -0.650  -5.127   9.585
  444   3HD1  ILE  61          3HD1      ILE  61  -1.216  -6.786   9.282
  445    H    ILE  62           H        ILE  62  -1.461  -9.822   5.575
  446    HA   ILE  62           HA       ILE  62  -2.100  -9.434   2.710
  447    HB   ILE  62           HB       ILE  62  -0.371 -11.100   4.035
  448   1HG1  ILE  62          1HG1      ILE  62   0.286 -11.994   1.873
  449   2HG1  ILE  62          2HG1      ILE  62  -1.325 -11.836   1.207
  450   1HG2  ILE  62          1HG2      ILE  62  -1.026 -13.489   3.641
  451   2HG2  ILE  62          2HG2      ILE  62  -2.154 -12.719   4.755
  452   3HG2  ILE  62          3HG2      ILE  62  -2.629 -12.974   3.060
  453   1HD1  ILE  62          1HD1      ILE  62   0.535  -9.461   1.803
  454   2HD1  ILE  62          2HD1      ILE  62   0.071 -10.110   0.217
  455   3HD1  ILE  62          3HD1      ILE  62  -1.152  -9.317   1.236
  456    H    GLU  63           H        GLU  63  -3.587 -11.200   5.408
  457    HA   GLU  63           HA       GLU  63  -5.684 -12.587   3.956
  458   1HB   GLU  63          1HB       GLU  63  -5.589 -13.509   6.016
  459   2HB   GLU  63          2HB       GLU  63  -5.107 -12.023   6.810
  460   1HG   GLU  63          1HG       GLU  63  -7.683 -11.313   6.443
  461   2HG   GLU  63          2HG       GLU  63  -7.189 -12.313   7.799
  462    H    GLU  64           H        GLU  64  -5.527  -9.337   5.344
  463    HA   GLU  64           HA       GLU  64  -8.397  -8.670   5.070
  464   1HB   GLU  64          1HB       GLU  64  -6.727  -7.592   6.690
  465   2HB   GLU  64          2HB       GLU  64  -6.099  -6.667   5.341
  466   1HG   GLU  64          1HG       GLU  64  -8.108  -5.365   5.114
  467   2HG   GLU  64          2HG       GLU  64  -9.098  -6.547   5.954
  468    H    VAL  65           H        VAL  65  -5.464  -7.958   3.181
  469    HA   VAL  65           HA       VAL  65  -6.704  -6.181   1.196
  470    HB   VAL  65           HB       VAL  65  -4.624  -6.684  -0.219
  471   1HG1  VAL  65          1HG1      VAL  65  -3.150  -5.253   1.209
  472   2HG1  VAL  65          2HG1      VAL  65  -4.818  -4.650   1.221
  473   3HG1  VAL  65          3HG1      VAL  65  -4.190  -5.546   2.625
  474   1HG2  VAL  65          1HG2      VAL  65  -3.661  -8.192   2.309
  475   2HG2  VAL  65          2HG2      VAL  65  -3.921  -8.900   0.697
  476   3HG2  VAL  65          3HG2      VAL  65  -2.639  -7.704   0.935
  477    H    ASP  66           H        ASP  66  -6.271  -9.667   1.486
  478    HA   ASP  66           HA       ASP  66  -7.484 -10.149  -1.283
  479   1HB   ASP  66          1HB       ASP  66  -5.929 -12.215   0.366
  480   2HB   ASP  66          2HB       ASP  66  -5.151 -11.112  -0.746
  481    H    GLU  67           H        GLU  67  -9.258  -9.332   0.470
  482    HA   GLU  67           HA       GLU  67 -10.634 -11.499   2.011
  483   1HB   GLU  67          1HB       GLU  67 -11.125  -9.449   2.952
  484   2HB   GLU  67          2HB       GLU  67 -11.209  -8.602   1.421
  485   1HG   GLU  67          1HG       GLU  67 -13.450  -8.628   2.324
  486   2HG   GLU  67          2HG       GLU  67 -13.461  -9.729   0.957
  487    H    ASP  68           H        ASP  68 -10.997  -9.867  -1.124
  488    HA   ASP  68           HA       ASP  68 -12.266 -12.307  -2.335
  489   1HB   ASP  68          1HB       ASP  68 -14.362 -11.519  -2.947
  490   2HB   ASP  68          2HB       ASP  68 -14.197 -10.881  -1.327
  491    H    GLY  69           H        GLY  69 -11.597 -12.539  -4.355
  492   1HA   GLY  69          1HA       GLY  69 -10.939 -10.295  -6.239
  493   2HA   GLY  69          2HA       GLY  69 -10.749 -12.019  -6.574
  494    H    SER  70           H        SER  70  -8.721 -11.617  -7.469
  495    HA   SER  70           HA       SER  70  -6.437 -10.935  -5.538
  496   1HB   SER  70          1HB       SER  70  -6.927 -13.507  -6.140
  497   2HB   SER  70          2HB       SER  70  -6.005 -13.118  -7.595
  498    HG   SER  70           HG       SER  70  -5.036 -12.241  -5.116
  499    H    GLY  71           H        GLY  71  -4.520 -10.182  -6.578
  500   1HA   GLY  71          1HA       GLY  71  -4.999  -8.418  -8.975
  501   2HA   GLY  71          2HA       GLY  71  -3.870  -9.738  -9.300
  502    H    THR  72           H        THR  72  -3.470  -6.830  -9.158
  503    HA   THR  72           HA       THR  72  -1.020  -6.864  -7.378
  504    HB   THR  72           HB       THR  72  -0.291  -4.813  -8.715
  505    HG1  THR  72           HG1      THR  72  -1.359  -4.942 -10.868
  506   1HG2  THR  72          1HG2      THR  72  -0.532  -6.981 -10.795
  507   2HG2  THR  72          2HG2      THR  72   0.894  -6.059 -10.268
  508   3HG2  THR  72          3HG2      THR  72   0.310  -7.435  -9.296
  509    H    ILE  73           H        ILE  73  -0.439  -4.480  -6.658
  510    HA   ILE  73           HA       ILE  73  -2.883  -3.022  -5.623
  511    HB   ILE  73           HB       ILE  73  -2.068  -4.615  -3.860
  512   1HG1  ILE  73          1HG1      ILE  73  -2.385  -1.626  -3.349
  513   2HG1  ILE  73          2HG1      ILE  73  -3.551  -2.921  -3.151
  514   1HG2  ILE  73          1HG2      ILE  73  -0.095  -4.141  -2.456
  515   2HG2  ILE  73          2HG2      ILE  73   0.436  -4.374  -4.128
  516   3HG2  ILE  73          3HG2      ILE  73   0.344  -2.731  -3.448
  517   1HD1  ILE  73          1HD1      ILE  73  -1.352  -2.092  -1.226
  518   2HD1  ILE  73          2HD1      ILE  73  -3.050  -2.516  -0.919
  519   3HD1  ILE  73          3HD1      ILE  73  -1.862  -3.803  -1.238
  520    H    ASP  74           H        ASP  74  -2.581  -0.817  -5.242
  521    HA   ASP  74           HA       ASP  74  -0.111   0.423  -6.585
  522   1HB   ASP  74          1HB       ASP  74  -1.305   1.753  -7.907
  523   2HB   ASP  74          2HB       ASP  74  -2.372   2.220  -6.615
  524    H    PHE  75           H        PHE  75  -0.614   3.033  -6.010
  525    HA   PHE  75           HA       PHE  75   0.575   3.175  -3.306
  526   1HB   PHE  75          1HB       PHE  75  -0.135   5.448  -5.254
  527   2HB   PHE  75          2HB       PHE  75   1.373   4.570  -5.244
  528    HD1  PHE  75           HD1      PHE  75  -0.562   7.276  -3.692
  529    HD2  PHE  75           HD2      PHE  75   2.923   4.807  -3.161
  530    HE1  PHE  75           HE1      PHE  75   0.383   8.927  -2.132
  531    HE2  PHE  75           HE2      PHE  75   3.834   6.456  -1.573
  532    HZ   PHE  75           HZ       PHE  75   2.568   8.510  -1.053
  533    H    GLU  76           H        GLU  76  -2.601   3.621  -4.660
  534    HA   GLU  76           HA       GLU  76  -3.810   5.384  -2.663
  535   1HB   GLU  76          1HB       GLU  76  -5.017   3.394  -4.634
  536   2HB   GLU  76          2HB       GLU  76  -6.025   4.221  -3.463
  537   1HG   GLU  76          1HG       GLU  76  -6.009   5.347  -5.712
  538   2HG   GLU  76          2HG       GLU  76  -5.505   6.422  -4.419
  539    H    GLU  77           H        GLU  77  -4.505   1.909  -3.082
  540    HA   GLU  77           HA       GLU  77  -5.454   1.250  -0.448
  541   1HB   GLU  77          1HB       GLU  77  -3.745  -0.720  -2.029
  542   2HB   GLU  77          2HB       GLU  77  -5.036  -1.058  -0.892
  543   1HG   GLU  77          1HG       GLU  77  -5.653   0.455  -3.493
  544   2HG   GLU  77          2HG       GLU  77  -5.453  -1.289  -3.510
  545    H    PHE  78           H        PHE  78  -2.212   1.879  -1.594
  546    HA   PHE  78           HA       PHE  78  -0.677   0.559   0.520
  547   1HB   PHE  78          1HB       PHE  78   0.465   1.038  -1.525
  548   2HB   PHE  78          2HB       PHE  78   0.014   2.722  -1.529
  549    HD1  PHE  78           HD1      PHE  78   1.184   1.370   1.725
  550    HD2  PHE  78           HD2      PHE  78   2.437   3.305  -1.908
  551    HE1  PHE  78           HE1      PHE  78   3.452   1.644   2.640
  552    HE2  PHE  78           HE2      PHE  78   4.699   3.571  -0.975
  553    HZ   PHE  78           HZ       PHE  78   5.226   2.691   1.274
  554    H    LEU  79           H        LEU  79  -1.842   3.911   0.125
  555    HA   LEU  79           HA       LEU  79  -0.626   4.897   2.692
  556   1HB   LEU  79          1HB       LEU  79  -2.034   6.983   2.256
  557   2HB   LEU  79          2HB       LEU  79  -0.773   6.615   1.101
  558    HG   LEU  79           HG       LEU  79  -2.601   5.593  -0.435
  559   1HD1  LEU  79          1HD1      LEU  79  -4.962   6.316  -0.043
  560   2HD1  LEU  79          2HD1      LEU  79  -4.402   5.274   1.278
  561   3HD1  LEU  79          3HD1      LEU  79  -4.511   7.035   1.523
  562   1HD2  LEU  79          1HD2      LEU  79  -2.766   8.612   0.214
  563   2HD2  LEU  79          2HD2      LEU  79  -1.624   7.839  -0.914
  564   3HD2  LEU  79          3HD2      LEU  79  -3.355   7.838  -1.279
  565    H    VAL  80           H        VAL  80  -3.626   3.487   1.573
  566    HA   VAL  80           HA       VAL  80  -5.389   4.122   3.808
  567    HB   VAL  80           HB       VAL  80  -5.450   1.718   1.918
  568   1HG1  VAL  80          1HG1      VAL  80  -7.285   4.194   1.912
  569   2HG1  VAL  80          2HG1      VAL  80  -5.838   4.064   0.904
  570   3HG1  VAL  80          3HG1      VAL  80  -7.173   2.910   0.680
  571   1HG2  VAL  80          1HG2      VAL  80  -7.740   1.226   2.640
  572   2HG2  VAL  80          2HG2      VAL  80  -6.722   1.212   4.099
  573   3HG2  VAL  80          3HG2      VAL  80  -7.758   2.607   3.763
  574    H    MET  81           H        MET  81  -3.046   1.515   3.224
  575    HA   MET  81           HA       MET  81  -3.668  -0.005   5.721
  576   1HB   MET  81          1HB       MET  81  -1.721  -1.437   5.128
  577   2HB   MET  81          2HB       MET  81  -2.883  -1.282   3.824
  578   1HG   MET  81          1HG       MET  81  -0.353   0.468   3.880
  579   2HG   MET  81          2HG       MET  81  -1.416   0.128   2.505
  580   1HE   MET  81          1HE       MET  81  -1.818  -3.229   3.658
  581   2HE   MET  81          2HE       MET  81  -2.015  -2.635   1.983
  582   3HE   MET  81          3HE       MET  81  -0.838  -3.934   2.333
  583    H    MET  82           H        MET  82  -1.384   2.462   4.688
  584    HA   MET  82           HA       MET  82   0.558   2.221   6.891
  585   1HB   MET  82          1HB       MET  82   0.092   4.150   4.638
  586   2HB   MET  82          2HB       MET  82   0.812   4.872   6.065
  587   1HG   MET  82          1HG       MET  82   2.455   3.998   4.270
  588   2HG   MET  82          2HG       MET  82   2.794   3.518   5.940
  589   1HE   MET  82          1HE       MET  82   3.751   0.324   5.676
  590   2HE   MET  82          2HE       MET  82   3.192   1.640   6.750
  591   3HE   MET  82          3HE       MET  82   2.195   0.170   6.551
  592    H    VAL  83           H        VAL  83  -2.387   4.102   6.367
  593    HA   VAL  83           HA       VAL  83  -2.165   5.806   8.801
  594    HB   VAL  83           HB       VAL  83  -4.768   6.091   8.317
  595   1HG1  VAL  83          1HG1      VAL  83  -3.844   5.239   5.503
  596   2HG1  VAL  83          2HG1      VAL  83  -4.822   4.206   6.555
  597   3HG1  VAL  83          3HG1      VAL  83  -5.470   5.769   6.006
  598   1HG2  VAL  83          1HG2      VAL  83  -4.313   8.007   6.875
  599   2HG2  VAL  83          2HG2      VAL  83  -2.928   7.877   7.984
  600   3HG2  VAL  83          3HG2      VAL  83  -2.768   7.317   6.313
  601    NH1  ARG  84           NH1      ARG  84  -9.794  -0.514   8.668
  602    NH2  ARG  84           NH2      ARG  84 -10.336  -1.258   6.592
  603    H    ARG  84           H        ARG  84  -4.029   2.910   7.839
  604    HA   ARG  84           HA       ARG  84  -5.485   2.280  10.226
  605   1HB   ARG  84          1HB       ARG  84  -4.342   0.593   7.982
  606   2HB   ARG  84          2HB       ARG  84  -4.809  -0.245   9.455
  607   1HG   ARG  84          1HG       ARG  84  -7.109   1.001   9.282
  608   2HG   ARG  84          2HG       ARG  84  -6.628   1.431   7.640
  609   1HD   ARG  84          1HD       ARG  84  -6.127  -1.198   7.374
  610   2HD   ARG  84          2HD       ARG  84  -7.179  -1.363   8.778
  611    HE   ARG  84           HE       ARG  84  -8.043  -0.319   6.057
  612   1HH1  ARG  84          1HH1      ARG  84 -11.265  -1.443   6.987
  613   2HH1  ARG  84          2HH1      ARG  84 -10.044  -1.393   5.618
  614   1HH2  ARG  84          1HH2      ARG  84  -9.052  -0.259   9.330
  615   2HH2  ARG  84          2HH2      ARG  84 -10.800  -0.565   8.863
  616    H    GLN  85           H        GLN  85  -2.086   1.598   9.414
  617    HA   GLN  85           HA       GLN  85  -1.521  -0.011  11.873
  618   1HB   GLN  85          1HB       GLN  85   0.987   0.640  10.922
  619   2HB   GLN  85          2HB       GLN  85   0.041   0.886   9.464
  620   1HG   GLN  85          1HG       GLN  85  -0.844  -1.451   9.581
  621   2HG   GLN  85          2HG       GLN  85   0.901  -1.394   9.444
  622   1HE2  GLN  85          1HE2      GLN  85   1.390  -3.222  12.485
  623   2HE2  GLN  85          2HE2      GLN  85   2.140  -2.335  11.065
  624    H    MET  86           H        MET  86  -1.163   3.318  10.791
  625    HA   MET  86           HA       MET  86   0.774   4.339  12.710
  626   1HB   MET  86          1HB       MET  86  -1.392   6.256  11.888
  627   2HB   MET  86          2HB       MET  86  -0.573   5.449  10.563
  628   1HG   MET  86          1HG       MET  86   1.399   6.461  12.547
  629   2HG   MET  86          2HG       MET  86   1.315   6.720  10.797
  630   1HE   MET  86          1HE       MET  86   1.689   8.896  10.237
  631   2HE   MET  86          2HE       MET  86   0.915  10.381  10.864
  632   3HE   MET  86          3HE       MET  86   2.200   9.579  11.813
  633    H    LYS  87           H        LYS  87  -2.707   3.813  12.868
  634    HA   LYS  87           HA       LYS  87  -3.256   5.209  15.426
  635   1HB   LYS  87          1HB       LYS  87  -4.859   3.998  13.461
  636   2HB   LYS  87          2HB       LYS  87  -5.031   2.882  14.799
  637   1HG   LYS  87          1HG       LYS  87  -6.070   4.497  16.204
  638   2HG   LYS  87          2HG       LYS  87  -5.389   5.862  15.341
  639   1HD   LYS  87          1HD       LYS  87  -6.947   5.478  13.408
  640   2HD   LYS  87          2HD       LYS  87  -7.528   3.999  14.156
  641   1HE   LYS  87          1HE       LYS  87  -8.846   6.380  14.398
  642   2HE   LYS  87          2HE       LYS  87  -8.979   5.088  15.593
  643   1HZ   LYS  87          1HZ       LYS  87  -7.476   6.195  17.011
  644   2HZ   LYS  87          2HZ       LYS  87  -6.888   7.187  15.828
  645   3HZ   LYS  87          3HZ       LYS  87  -8.415   7.416  16.414
  646    H    GLU  88           H        GLU  88  -3.047   1.719  14.611
  647    HA   GLU  88           HA       GLU  88  -2.952   0.682  17.344
  648   1HB   GLU  88          1HB       GLU  88  -1.945  -0.562  14.734
  649   2HB   GLU  88          2HB       GLU  88  -1.912  -1.396  16.274
  650   1HG   GLU  88          1HG       GLU  88  -4.626  -0.416  15.941
  651   2HG   GLU  88          2HG       GLU  88  -4.137  -1.074  14.389
  652    H    ASP  89           H        ASP  89  -1.368   0.553  18.766
  653    HA   ASP  89           HA       ASP  89   1.505   0.436  18.226
  654   1HB   ASP  89          1HB       ASP  89   1.586   2.709  17.577
  655   2HB   ASP  89          2HB       ASP  89   0.426   3.224  18.780
  656    H    ALA  90           H        ALA  90   0.161   2.449  20.782
  657    HA   ALA  90           HA       ALA  90   1.128   0.558  22.921
  658   1HB   ALA  90          1HB       ALA  90   1.010   3.332  22.840
  659   2HB   ALA  90          2HB       ALA  90  -0.468   2.980  23.756
  660   3HB   ALA  90          3HB       ALA  90   1.105   2.399  24.354
   
  Start of MODEL          36
 Raw file had  660 H/Q atoms
  Start of MODEL   36
    1   1H    ALA   1          1H        ALA   1 -18.793  -1.721   9.457
    2   2H    ALA   1          2H        ALA   1 -17.371  -0.946   9.004
    3   3H    ALA   1          3H        ALA   1 -18.052  -0.641  10.511
    4    HA   ALA   1           HA       ALA   1 -20.099   0.115   9.249
    5   1HB   ALA   1          1HB       ALA   1 -18.183   1.476  10.559
    6   2HB   ALA   1          2HB       ALA   1 -17.762   2.055   8.936
    7   3HB   ALA   1          3HB       ALA   1 -19.394   2.349   9.590
    8    H    SER   2           H        SER   2 -19.456   2.174   7.370
    9    HA   SER   2           HA       SER   2 -19.127   0.546   4.802
   10   1HB   SER   2          1HB       SER   2 -21.128   1.557   4.420
   11   2HB   SER   2          2HB       SER   2 -20.844   2.861   5.576
   12    HG   SER   2           HG       SER   2 -20.734   3.835   3.691
   13    H    MET   3           H        MET   3 -17.871   1.416   3.101
   14    HA   MET   3           HA       MET   3 -15.679   3.417   3.898
   15   1HB   MET   3          1HB       MET   3 -14.141   2.332   2.344
   16   2HB   MET   3          2HB       MET   3 -15.392   1.264   1.736
   17   1HG   MET   3          1HG       MET   3 -13.552   0.679   3.810
   18   2HG   MET   3          2HG       MET   3 -15.068   0.960   4.680
   19   1HE   MET   3          1HE       MET   3 -15.819  -1.199   5.525
   20   2HE   MET   3          2HE       MET   3 -15.809  -2.756   4.646
   21   3HE   MET   3          3HE       MET   3 -14.264  -1.988   5.115
   22    H    THR   4           H        THR   4 -18.088   4.372   3.168
   23    HA   THR   4           HA       THR   4 -18.717   4.950   0.419
   24    HB   THR   4           HB       THR   4 -19.365   6.179   3.005
   25    HG1  THR   4           HG1      THR   4 -20.561   4.964   1.233
   26   1HG2  THR   4          1HG2      THR   4 -20.130   8.383   2.204
   27   2HG2  THR   4          2HG2      THR   4 -18.361   8.294   2.055
   28   3HG2  THR   4          3HG2      THR   4 -19.390   8.133   0.608
   29    H    ASP   5           H        ASP   5 -16.159   6.147   2.507
   30    HA   ASP   5           HA       ASP   5 -14.465   7.046   0.256
   31   1HB   ASP   5          1HB       ASP   5 -16.312   8.986   0.767
   32   2HB   ASP   5          2HB       ASP   5 -15.131   9.442   1.973
   33    H    GLN   6           H        GLN   6 -13.732   5.255   1.845
   34    HA   GLN   6           HA       GLN   6 -12.333   6.204   4.348
   35   1HB   GLN   6          1HB       GLN   6 -12.824   3.520   3.041
   36   2HB   GLN   6          2HB       GLN   6 -11.357   3.677   3.991
   37   1HG   GLN   6          1HG       GLN   6 -13.836   2.983   5.012
   38   2HG   GLN   6          2HG       GLN   6 -12.474   3.533   5.965
   39   1HE2  GLN   6          1HE2      GLN   6 -14.170   6.512   7.000
   40   2HE2  GLN   6          2HE2      GLN   6 -12.654   5.479   7.056
   41    H    GLN   7           H        GLN   7 -11.613   5.288   1.015
   42    HA   GLN   7           HA       GLN   7  -8.714   5.018   1.124
   43   1HB   GLN   7          1HB       GLN   7 -10.198   6.124  -1.322
   44   2HB   GLN   7          2HB       GLN   7  -8.669   5.264  -1.273
   45   1HG   GLN   7          1HG       GLN   7  -9.926   3.468  -1.902
   46   2HG   GLN   7          2HG       GLN   7 -10.220   3.294  -0.184
   47   1HE2  GLN   7          1HE2      GLN   7 -13.300   4.876  -2.525
   48   2HE2  GLN   7          2HE2      GLN   7 -11.546   5.218  -2.943
   49    H    ALA   8           H        ALA   8 -10.845   7.825   0.802
   50    HA   ALA   8           HA       ALA   8  -8.774   9.810   0.059
   51   1HB   ALA   8          1HB       ALA   8 -10.505  11.416   0.077
   52   2HB   ALA   8          2HB       ALA   8 -11.353   9.920  -0.356
   53   3HB   ALA   8          3HB       ALA   8 -11.472  10.561   1.302
   54    H    GLU   9           H        GLU   9 -10.295   8.719   3.061
   55    HA   GLU   9           HA       GLU   9  -9.517  10.729   4.947
   56   1HB   GLU   9          1HB       GLU   9  -9.810   7.717   5.397
   57   2HB   GLU   9          2HB       GLU   9  -9.494   8.847   6.699
   58   1HG   GLU   9          1HG       GLU   9 -11.863   9.544   4.945
   59   2HG   GLU   9          2HG       GLU   9 -12.017   8.056   5.864
   60    H    ALA  10           H        ALA  10  -7.649   8.111   3.508
   61    HA   ALA  10           HA       ALA  10  -5.357   7.968   5.245
   62   1HB   ALA  10          1HB       ALA  10  -4.144   6.966   3.316
   63   2HB   ALA  10          2HB       ALA  10  -5.782   6.303   3.464
   64   3HB   ALA  10          3HB       ALA  10  -5.419   7.501   2.196
   65    NH1  ARG  11           NH1      ARG  11  -7.148   9.550  -2.061
   66    NH2  ARG  11           NH2      ARG  11  -8.961  10.551  -2.995
   67    H    ARG  11           H        ARG  11  -5.853   9.955   2.317
   68    HA   ARG  11           HA       ARG  11  -3.194  11.298   2.373
   69   1HB   ARG  11          1HB       ARG  11  -4.285  12.863   0.638
   70   2HB   ARG  11          2HB       ARG  11  -4.106  11.166   0.219
   71   1HG   ARG  11          1HG       ARG  11  -6.501  10.707   0.701
   72   2HG   ARG  11          2HG       ARG  11  -6.745  12.362   1.263
   73   1HD   ARG  11          1HD       ARG  11  -5.678  11.861  -1.573
   74   2HD   ARG  11          2HD       ARG  11  -6.467  13.308  -0.949
   75    HE   ARG  11           HE       ARG  11  -8.662  12.174  -1.117
   76   1HH1  ARG  11          1HH1      ARG  11  -7.383   8.748  -2.655
   77   2HH1  ARG  11          2HH1      ARG  11  -6.355   9.625  -1.414
   78   1HH2  ARG  11          1HH2      ARG  11  -9.514  11.408  -3.107
   79   2HH2  ARG  11          2HH2      ARG  11  -9.103   9.660  -3.483
   80    H    ALA  12           H        ALA  12  -6.438  11.979   3.568
   81    HA   ALA  12           HA       ALA  12  -6.020  14.848   4.195
   82   1HB   ALA  12          1HB       ALA  12  -8.230  14.720   5.322
   83   2HB   ALA  12          2HB       ALA  12  -8.283  13.941   3.728
   84   3HB   ALA  12          3HB       ALA  12  -8.230  12.944   5.204
   85    H    PHE  13           H        PHE  13  -4.723  12.123   5.640
   86    HA   PHE  13           HA       PHE  13  -4.751  13.163   8.479
   87   1HB   PHE  13          1HB       PHE  13  -4.920  10.637   7.722
   88   2HB   PHE  13          2HB       PHE  13  -3.190  10.709   7.512
   89    HD1  PHE  13           HD1      PHE  13  -4.158   8.771   9.420
   90    HD2  PHE  13           HD2      PHE  13  -3.526  12.973  10.110
   91    HE1  PHE  13           HE1      PHE  13  -3.772   8.332  11.811
   92    HE2  PHE  13           HE2      PHE  13  -3.217  12.521  12.508
   93    HZ   PHE  13           HZ       PHE  13  -3.313  10.203  13.360
   94    H    LEU  14           H        LEU  14  -2.529  12.599   5.769
   95    HA   LEU  14           HA       LEU  14  -0.200  13.900   7.243
   96   1HB   LEU  14          1HB       LEU  14   0.529  11.855   6.334
   97   2HB   LEU  14          2HB       LEU  14   1.153  13.063   5.231
   98    HG   LEU  14           HG       LEU  14  -1.428  11.479   4.669
   99   1HD1  LEU  14          1HD1      LEU  14  -1.081  12.206   2.303
  100   2HD1  LEU  14          2HD1      LEU  14  -1.237  13.611   3.374
  101   3HD1  LEU  14          3HD1      LEU  14   0.369  13.131   2.772
  102   1HD2  LEU  14          1HD2      LEU  14   1.436  10.835   3.693
  103   2HD2  LEU  14          2HD2      LEU  14   0.464   9.853   4.816
  104   3HD2  LEU  14          3HD2      LEU  14  -0.055  10.037   3.134
  105    H    SER  15           H        SER  15   1.248  15.145   5.570
  106    HA   SER  15           HA       SER  15  -0.410  17.418   4.446
  107   1HB   SER  15          1HB       SER  15   2.495  17.120   5.283
  108   2HB   SER  15          2HB       SER  15   2.047  18.414   4.168
  109    HG   SER  15           HG       SER  15   0.795  19.306   5.650
  110    H    GLU  16           H        GLU  16   1.132  18.433   2.504
  111    HA   GLU  16           HA       GLU  16   0.639  16.619   0.179
  112   1HB   GLU  16          1HB       GLU  16   0.979  18.478  -1.247
  113   2HB   GLU  16          2HB       GLU  16   0.068  19.060   0.133
  114   1HG   GLU  16          1HG       GLU  16   2.260  20.014   1.103
  115   2HG   GLU  16          2HG       GLU  16   3.076  19.522  -0.371
  116    H    GLU  17           H        GLU  17   3.429  18.373   1.529
  117    HA   GLU  17           HA       GLU  17   5.460  17.333  -0.325
  118   1HB   GLU  17          1HB       GLU  17   7.045  18.528   0.787
  119   2HB   GLU  17          2HB       GLU  17   5.614  19.389   1.317
  120   1HG   GLU  17          1HG       GLU  17   5.746  17.680   3.422
  121   2HG   GLU  17          2HG       GLU  17   7.419  17.515   2.915
  122    H    MET  18           H        MET  18   4.168  16.224   2.759
  123    HA   MET  18           HA       MET  18   6.038  14.112   3.453
  124   1HB   MET  18          1HB       MET  18   4.164  14.978   4.946
  125   2HB   MET  18          2HB       MET  18   3.013  14.075   3.979
  126   1HG   MET  18          1HG       MET  18   4.552  11.954   4.577
  127   2HG   MET  18          2HG       MET  18   3.363  12.570   5.735
  128   1HE   MET  18          1HE       MET  18   5.997  10.746   6.339
  129   2HE   MET  18          2HE       MET  18   6.683  11.499   7.809
  130   3HE   MET  18          3HE       MET  18   4.923  11.209   7.696
  131    H    ILE  19           H        ILE  19   3.163  14.140   1.365
  132    HA   ILE  19           HA       ILE  19   3.074  11.319   0.604
  133    HB   ILE  19           HB       ILE  19   2.118  13.786  -0.929
  134   1HG1  ILE  19          1HG1      ILE  19   0.716  11.776   0.924
  135   2HG1  ILE  19          2HG1      ILE  19   0.724  13.524   1.020
  136   1HG2  ILE  19          1HG2      ILE  19   0.870  12.249  -2.463
  137   2HG2  ILE  19          2HG2      ILE  19   2.604  11.960  -2.588
  138   3HG2  ILE  19          3HG2      ILE  19   1.589  10.830  -1.663
  139   1HD1  ILE  19          1HD1      ILE  19  -0.819  11.918  -1.101
  140   2HD1  ILE  19          2HD1      ILE  19  -1.482  12.819   0.277
  141   3HD1  ILE  19          3HD1      ILE  19  -0.702  13.699  -1.059
  142    H    ALA  20           H        ALA  20   4.788  14.137  -0.738
  143    HA   ALA  20           HA       ALA  20   5.924  13.119  -3.130
  144   1HB   ALA  20          1HB       ALA  20   6.164  15.479  -1.857
  145   2HB   ALA  20          2HB       ALA  20   7.743  14.814  -1.394
  146   3HB   ALA  20          3HB       ALA  20   7.321  14.987  -3.117
  147    H    GLU  21           H        GLU  21   7.069  12.692   0.209
  148    HA   GLU  21           HA       GLU  21   9.604  11.331  -0.437
  149   1HB   GLU  21          1HB       GLU  21   8.117  11.260   2.239
  150   2HB   GLU  21          2HB       GLU  21   9.801  10.863   1.961
  151   1HG   GLU  21          1HG       GLU  21   9.898  13.052   2.874
  152   2HG   GLU  21          2HG       GLU  21   8.463  13.601   2.024
  153    H    PHE  22           H        PHE  22   6.392  10.237   0.639
  154    HA   PHE  22           HA       PHE  22   6.838   7.447   1.047
  155   1HB   PHE  22          1HB       PHE  22   4.338   7.181   0.236
  156   2HB   PHE  22          2HB       PHE  22   4.338   8.916   0.056
  157    HD1  PHE  22           HD1      PHE  22   2.400   7.867   1.902
  158    HD2  PHE  22           HD2      PHE  22   6.556   8.661   2.691
  159    HE1  PHE  22           HE1      PHE  22   1.913   8.086   4.302
  160    HE2  PHE  22           HE2      PHE  22   6.042   8.911   5.085
  161    HZ   PHE  22           HZ       PHE  22   3.731   8.593   5.899
  162    H    LYS  23           H        LYS  23   5.804   9.071  -1.964
  163    HA   LYS  23           HA       LYS  23   5.611   6.817  -3.746
  164   1HB   LYS  23          1HB       LYS  23   6.783   9.233  -5.053
  165   2HB   LYS  23          2HB       LYS  23   5.347   8.318  -5.462
  166   1HG   LYS  23          1HG       LYS  23   4.399   9.538  -3.206
  167   2HG   LYS  23          2HG       LYS  23   5.659  10.693  -3.595
  168   1HD   LYS  23          1HD       LYS  23   3.073  10.105  -5.065
  169   2HD   LYS  23          2HD       LYS  23   3.849  11.638  -4.700
  170   1HE   LYS  23          1HE       LYS  23   4.906  11.749  -6.715
  171   2HE   LYS  23          2HE       LYS  23   5.526  10.101  -6.602
  172   1HZ   LYS  23          1HZ       LYS  23   3.246   9.350  -7.299
  173   2HZ   LYS  23          2HZ       LYS  23   2.830  10.927  -7.562
  174   3HZ   LYS  23          3HZ       LYS  23   4.042  10.234  -8.446
  175    H    ALA  24           H        ALA  24   8.407   8.727  -2.713
  176    HA   ALA  24           HA       ALA  24  10.446   7.977  -4.576
  177   1HB   ALA  24          1HB       ALA  24  12.095   8.486  -2.785
  178   2HB   ALA  24          2HB       ALA  24  10.803   9.700  -2.830
  179   3HB   ALA  24          3HB       ALA  24  10.812   8.459  -1.551
  180    H    ALA  25           H        ALA  25   9.597   6.362  -1.496
  181    HA   ALA  25           HA       ALA  25  11.534   4.146  -1.764
  182   1HB   ALA  25          1HB       ALA  25  10.407   3.194   0.240
  183   2HB   ALA  25          2HB       ALA  25  10.760   4.918   0.459
  184   3HB   ALA  25          3HB       ALA  25   9.095   4.389   0.109
  185    H    PHE  26           H        PHE  26   8.145   4.628  -2.586
  186    HA   PHE  26           HA       PHE  26   7.220   1.921  -2.966
  187   1HB   PHE  26          1HB       PHE  26   6.348   4.381  -4.595
  188   2HB   PHE  26          2HB       PHE  26   5.777   4.017  -2.988
  189    HD1  PHE  26           HD1      PHE  26   5.178   3.533  -6.493
  190    HD2  PHE  26           HD2      PHE  26   4.631   1.579  -2.700
  191    HE1  PHE  26           HE1      PHE  26   3.333   2.201  -7.434
  192    HE2  PHE  26           HE2      PHE  26   2.789   0.255  -3.658
  193    HZ   PHE  26           HZ       PHE  26   2.167   0.532  -6.033
  194    H    ASP  27           H        ASP  27   8.839   4.162  -5.209
  195    HA   ASP  27           HA       ASP  27   8.768   2.482  -7.612
  196   1HB   ASP  27          1HB       ASP  27  10.376   4.943  -6.845
  197   2HB   ASP  27          2HB       ASP  27   9.155   4.748  -8.082
  198    H    MET  28           H        MET  28  10.892   2.649  -4.834
  199    HA   MET  28           HA       MET  28  13.314   1.418  -5.662
  200   1HB   MET  28          1HB       MET  28  12.371   2.102  -3.192
  201   2HB   MET  28          2HB       MET  28  12.199   0.361  -3.061
  202   1HG   MET  28          1HG       MET  28  14.369   0.564  -2.247
  203   2HG   MET  28          2HG       MET  28  14.761   0.356  -3.961
  204   1HE   MET  28          1HE       MET  28  17.419   2.997  -2.946
  205   2HE   MET  28          2HE       MET  28  16.653   2.258  -1.509
  206   3HE   MET  28          3HE       MET  28  17.002   1.255  -2.947
  207    H    PHE  29           H        PHE  29  10.163  -0.060  -5.113
  208    HA   PHE  29           HA       PHE  29  11.182  -2.880  -5.617
  209   1HB   PHE  29          1HB       PHE  29   8.754  -3.561  -5.196
  210   2HB   PHE  29          2HB       PHE  29   8.351  -1.887  -4.927
  211    HD1  PHE  29           HD1      PHE  29   7.934  -4.105  -2.882
  212    HD2  PHE  29           HD2      PHE  29  11.239  -1.401  -3.433
  213    HE1  PHE  29           HE1      PHE  29   8.486  -4.273  -0.490
  214    HE2  PHE  29           HE2      PHE  29  11.776  -1.589  -1.039
  215    HZ   PHE  29           HZ       PHE  29  10.406  -3.021   0.434
  216    H    ASP  30           H        ASP  30   8.703  -0.643  -6.906
  217    HA   ASP  30           HA       ASP  30   8.580  -2.230  -9.500
  218   1HB   ASP  30          1HB       ASP  30   6.415  -1.774  -8.341
  219   2HB   ASP  30          2HB       ASP  30   6.474  -1.197  -9.990
  220    H    ALA  31           H        ALA  31  10.790  -1.370  -9.882
  221    HA   ALA  31           HA       ALA  31  11.257   1.484 -10.575
  222   1HB   ALA  31          1HB       ALA  31  13.453   0.678 -11.453
  223   2HB   ALA  31          2HB       ALA  31  13.123   0.046  -9.828
  224   3HB   ALA  31          3HB       ALA  31  12.945  -1.015 -11.249
  225    H    ASP  32           H        ASP  32  10.292  -1.444 -12.273
  226    HA   ASP  32           HA       ASP  32   9.778   0.154 -14.834
  227   1HB   ASP  32          1HB       ASP  32   9.990  -2.101 -16.082
  228   2HB   ASP  32          2HB       ASP  32  10.716  -2.755 -14.632
  229    H    GLY  33           H        GLY  33   7.707   0.665 -14.386
  230   1HA   GLY  33          1HA       GLY  33   5.705  -1.275 -13.264
  231   2HA   GLY  33          2HA       GLY  33   5.440  -0.946 -14.979
  232    H    GLY  34           H        GLY  34   6.191   0.893 -12.003
  233   1HA   GLY  34          1HA       GLY  34   5.202   2.891 -11.050
  234   2HA   GLY  34          2HA       GLY  34   5.113   3.473 -12.717
  235    H    GLY  35           H        GLY  35   3.472   1.115 -10.595
  236   1HA   GLY  35          1HA       GLY  35   0.738   2.250 -11.115
  237   2HA   GLY  35          2HA       GLY  35   0.996   0.707 -11.936
  238    H    ASP  36           H        ASP  36   2.480  -0.744 -10.237
  239    HA   ASP  36           HA       ASP  36   1.202  -0.845  -7.494
  240   1HB   ASP  36          1HB       ASP  36   0.552  -3.346  -7.933
  241   2HB   ASP  36          2HB       ASP  36  -0.536  -2.060  -8.402
  242    H    ILE  37           H        ILE  37   2.009  -2.975  -6.418
  243    HA   ILE  37           HA       ILE  37   4.832  -3.793  -7.235
  244    HB   ILE  37           HB       ILE  37   5.800  -3.365  -5.048
  245   1HG1  ILE  37          1HG1      ILE  37   4.065  -1.443  -3.789
  246   2HG1  ILE  37          2HG1      ILE  37   3.026  -2.799  -4.173
  247   1HG2  ILE  37          1HG2      ILE  37   6.056  -0.886  -5.219
  248   2HG2  ILE  37          2HG2      ILE  37   6.014  -1.608  -6.834
  249   3HG2  ILE  37          3HG2      ILE  37   4.579  -0.765  -6.205
  250   1HD1  ILE  37          1HD1      ILE  37   5.568  -3.004  -2.457
  251   2HD1  ILE  37          2HD1      ILE  37   3.879  -3.117  -1.919
  252   3HD1  ILE  37          3HD1      ILE  37   4.562  -4.391  -2.954
  253    H    SER  38           H        SER  38   5.531  -5.498  -5.473
  254    HA   SER  38           HA       SER  38   3.433  -7.651  -5.360
  255   1HB   SER  38          1HB       SER  38   6.118  -7.789  -5.754
  256   2HB   SER  38          2HB       SER  38   6.102  -8.045  -4.007
  257    HG   SER  38           HG       SER  38   4.337  -9.602  -4.513
  258    H    THR  39           H        THR  39   2.458  -8.408  -3.569
  259    HA   THR  39           HA       THR  39   2.177  -6.619  -1.193
  260    HB   THR  39           HB       THR  39   0.218  -7.793  -2.209
  261    HG1  THR  39           HG1      THR  39   0.245  -8.749   0.358
  262   1HG2  THR  39          1HG2      THR  39  -0.335 -10.117  -1.641
  263   2HG2  THR  39          2HG2      THR  39   1.185 -10.105  -2.565
  264   3HG2  THR  39          3HG2      THR  39   1.214 -10.346  -0.798
  265    H    LYS  40           H        LYS  40   3.775  -9.643  -2.008
  266    HA   LYS  40           HA       LYS  40   4.238 -10.863   0.539
  267   1HB   LYS  40          1HB       LYS  40   5.527 -11.007  -2.138
  268   2HB   LYS  40          2HB       LYS  40   5.055 -12.293  -1.047
  269   1HG   LYS  40          1HG       LYS  40   7.598 -11.892  -1.690
  270   2HG   LYS  40          2HG       LYS  40   7.567 -10.629  -0.476
  271   1HD   LYS  40          1HD       LYS  40   8.228 -12.312   0.958
  272   2HD   LYS  40          2HD       LYS  40   6.507 -12.654   1.029
  273   1HE   LYS  40          1HE       LYS  40   6.639 -14.524  -0.468
  274   2HE   LYS  40          2HE       LYS  40   8.024 -14.708   0.610
  275   1HZ   LYS  40          1HZ       LYS  40   9.281 -13.443  -1.255
  276   2HZ   LYS  40          2HZ       LYS  40   8.900 -15.032  -1.502
  277   3HZ   LYS  40          3HZ       LYS  40   8.001 -13.846  -2.219
  278    H    GLU  41           H        GLU  41   5.927  -8.191  -1.047
  279    HA   GLU  41           HA       GLU  41   7.854  -7.881   1.293
  280   1HB   GLU  41          1HB       GLU  41   8.206  -6.136  -1.120
  281   2HB   GLU  41          2HB       GLU  41   8.366  -7.857  -1.414
  282   1HG   GLU  41          1HG       GLU  41  10.579  -6.859  -0.957
  283   2HG   GLU  41          2HG       GLU  41  10.026  -6.169   0.559
  284    H    LEU  42           H        LEU  42   5.283  -6.275  -0.490
  285    HA   LEU  42           HA       LEU  42   5.231  -3.607   0.220
  286   1HB   LEU  42          1HB       LEU  42   2.904  -5.597   0.230
  287   2HB   LEU  42          2HB       LEU  42   3.406  -4.530  -1.065
  288    HG   LEU  42           HG       LEU  42   2.511  -3.216   1.529
  289   1HD1  LEU  42          1HD1      LEU  42   1.552  -1.518  -0.053
  290   2HD1  LEU  42          2HD1      LEU  42   3.278  -1.772  -0.352
  291   3HD1  LEU  42          3HD1      LEU  42   2.075  -2.499  -1.446
  292   1HD2  LEU  42          1HD2      LEU  42   0.496  -4.456  -0.464
  293   2HD2  LEU  42          2HD2      LEU  42   0.763  -4.981   1.217
  294   3HD2  LEU  42          3HD2      LEU  42   0.095  -3.371   0.893
  295    H    GLY  43           H        GLY  43   4.156  -6.274   2.338
  296   1HA   GLY  43          1HA       GLY  43   3.467  -5.040   4.803
  297   2HA   GLY  43          2HA       GLY  43   4.382  -6.550   4.734
  298    H    THR  44           H        THR  44   6.775  -6.254   4.183
  299    HA   THR  44           HA       THR  44   8.218  -5.111   6.248
  300    HB   THR  44           HB       THR  44   9.075  -5.734   3.421
  301    HG1  THR  44           HG1      THR  44   8.809  -7.072   5.513
  302   1HG2  THR  44          1HG2      THR  44  11.468  -5.274   3.977
  303   2HG2  THR  44          2HG2      THR  44  10.525  -3.770   3.909
  304   3HG2  THR  44          3HG2      THR  44  10.977  -4.466   5.487
  305    H    VAL  45           H        VAL  45   7.503  -3.506   3.146
  306    HA   VAL  45           HA       VAL  45   9.057  -1.113   3.352
  307    HB   VAL  45           HB       VAL  45   6.261  -1.110   2.121
  308   1HG1  VAL  45          1HG1      VAL  45   8.822  -2.041   0.678
  309   2HG1  VAL  45          2HG1      VAL  45   7.619  -3.156   1.338
  310   3HG1  VAL  45          3HG1      VAL  45   7.155  -2.029   0.043
  311   1HG2  VAL  45          1HG2      VAL  45   7.105   0.579   0.573
  312   2HG2  VAL  45          2HG2      VAL  45   7.555   1.127   2.205
  313   3HG2  VAL  45          3HG2      VAL  45   8.779   0.391   1.160
  314    H    MET  46           H        MET  46   5.758  -1.750   4.563
  315    HA   MET  46           HA       MET  46   5.212   0.894   5.671
  316   1HB   MET  46          1HB       MET  46   4.001  -1.788   6.568
  317   2HB   MET  46          2HB       MET  46   3.387  -0.199   6.990
  318   1HG   MET  46          1HG       MET  46   3.671  -0.696   4.018
  319   2HG   MET  46          2HG       MET  46   2.397   0.148   4.911
  320   1HE   MET  46          1HE       MET  46   1.382  -2.058   7.221
  321   2HE   MET  46          2HE       MET  46   0.500  -0.879   6.205
  322   3HE   MET  46          3HE       MET  46   0.011  -2.599   6.202
  323    NH1  ARG  47           NH1      ARG  47   3.823  -6.361  10.056
  324    NH2  ARG  47           NH2      ARG  47   1.816  -5.668  10.862
  325    H    ARG  47           H        ARG  47   6.659  -2.038   7.059
  326    HA   ARG  47           HA       ARG  47   7.101  -0.654   9.754
  327   1HB   ARG  47          1HB       ARG  47   7.023  -3.596   8.897
  328   2HB   ARG  47          2HB       ARG  47   7.817  -3.116  10.389
  329   1HG   ARG  47          1HG       ARG  47   5.812  -3.276  11.420
  330   2HG   ARG  47          2HG       ARG  47   5.364  -1.766  10.624
  331   1HD   ARG  47          1HD       ARG  47   4.076  -2.835   8.945
  332   2HD   ARG  47          2HD       ARG  47   4.996  -4.336   9.021
  333    HE   ARG  47           HE       ARG  47   3.160  -3.567  11.342
  334   1HH1  ARG  47          1HH1      ARG  47   1.552  -6.659  10.835
  335   2HH1  ARG  47          2HH1      ARG  47   1.224  -4.882  11.154
  336   1HH2  ARG  47          1HH2      ARG  47   4.739  -6.100   9.674
  337   2HH2  ARG  47          2HH2      ARG  47   3.442  -7.310  10.145
  338    H    MET  48           H        MET  48   8.754  -0.588   7.032
  339    HA   MET  48           HA       MET  48  11.494  -1.335   8.054
  340   1HB   MET  48          1HB       MET  48  12.152  -1.339   5.881
  341   2HB   MET  48          2HB       MET  48  10.449  -1.219   5.478
  342   1HG   MET  48          1HG       MET  48  10.578   1.133   4.990
  343   2HG   MET  48          2HG       MET  48  12.085   1.344   5.896
  344   1HE   MET  48          1HE       MET  48  10.952  -1.518   3.371
  345   2HE   MET  48          2HE       MET  48  12.451  -1.690   2.411
  346   3HE   MET  48          3HE       MET  48  12.464  -2.071   4.157
  347    H    LEU  49           H        LEU  49   9.360   1.341   8.027
  348    HA   LEU  49           HA       LEU  49  11.468   3.128   9.351
  349   1HB   LEU  49          1HB       LEU  49   9.913   5.021   8.155
  350   2HB   LEU  49          2HB       LEU  49  11.414   4.405   7.483
  351    HG   LEU  49           HG       LEU  49   9.178   2.699   6.597
  352   1HD1  LEU  49          1HD1      LEU  49   7.934   4.368   5.215
  353   2HD1  LEU  49          2HD1      LEU  49   7.752   4.728   6.941
  354   3HD1  LEU  49          3HD1      LEU  49   8.859   5.704   5.945
  355   1HD2  LEU  49          1HD2      LEU  49  11.110   4.540   5.034
  356   2HD2  LEU  49          2HD2      LEU  49  11.368   2.817   5.401
  357   3HD2  LEU  49          3HD2      LEU  49  10.053   3.297   4.318
  358    H    GLY  50           H        GLY  50   9.509   1.321  10.460
  359   1HA   GLY  50          1HA       GLY  50   7.607   3.258  11.904
  360   2HA   GLY  50          2HA       GLY  50   6.974   1.761  11.216
  361    H    GLN  51           H        GLN  51   8.410  -0.228  11.849
  362    HA   GLN  51           HA       GLN  51   9.313  -0.282  14.733
  363   1HB   GLN  51          1HB       GLN  51   6.869  -1.999  14.096
  364   2HB   GLN  51          2HB       GLN  51   7.581  -1.611  15.652
  365   1HG   GLN  51          1HG       GLN  51   5.587  -0.336  15.604
  366   2HG   GLN  51          2HG       GLN  51   6.847   0.843  15.303
  367   1HE2  GLN  51          1HE2      GLN  51   4.436   1.770  12.708
  368   2HE2  GLN  51          2HE2      GLN  51   5.077   2.137  14.388
  369    H    ASN  52           H        ASN  52   8.772  -3.071  15.032
  370    HA   ASN  52           HA       ASN  52  10.298  -4.406  12.769
  371   1HB   ASN  52          1HB       ASN  52  11.853  -3.500  14.604
  372   2HB   ASN  52          2HB       ASN  52  11.187  -4.693  15.697
  373   1HD2  ASN  52          1HD2      ASN  52  14.019  -6.615  14.472
  374   2HD2  ASN  52          2HD2      ASN  52  13.210  -5.754  15.876
  375    HA   PRO  53           HA       PRO  53   6.908  -7.214  14.755
  376   1HB   PRO  53          1HB       PRO  53   5.260  -7.655  12.596
  377   2HB   PRO  53          2HB       PRO  53   5.185  -6.204  13.608
  378   1HG   PRO  53          1HG       PRO  53   6.564  -6.512  10.896
  379   2HG   PRO  53          2HG       PRO  53   5.481  -5.205  11.431
  380   1HD   PRO  53          1HD       PRO  53   7.238  -4.120  12.630
  381   2HD   PRO  53          2HD       PRO  53   8.280  -5.045  11.505
  382    H    THR  54           H        THR  54   5.975  -9.319  13.171
  383    HA   THR  54           HA       THR  54   8.526 -10.879  12.517
  384    HB   THR  54           HB       THR  54   5.881 -12.236  13.159
  385    HG1  THR  54           HG1      THR  54   6.230 -11.043  14.912
  386   1HG2  THR  54          1HG2      THR  54   7.307 -14.120  13.892
  387   2HG2  THR  54          2HG2      THR  54   7.699 -13.690  12.212
  388   3HG2  THR  54          3HG2      THR  54   8.786 -13.198  13.535
  389    H    LYS  55           H        LYS  55   8.019 -12.706  10.908
  390    HA   LYS  55           HA       LYS  55   6.962 -11.480   8.376
  391   1HB   LYS  55          1HB       LYS  55   9.125 -12.883   8.557
  392   2HB   LYS  55          2HB       LYS  55   8.073 -13.189   7.191
  393   1HG   LYS  55          1HG       LYS  55   7.282 -15.286   8.134
  394   2HG   LYS  55          2HG       LYS  55   7.922 -14.918   9.723
  395   1HD   LYS  55          1HD       LYS  55  10.118 -14.921   7.731
  396   2HD   LYS  55          2HD       LYS  55   9.957 -15.798   9.244
  397   1HE   LYS  55          1HE       LYS  55   9.245 -17.745   8.249
  398   2HE   LYS  55          2HE       LYS  55   8.197 -16.924   7.090
  399   1HZ   LYS  55          1HZ       LYS  55  10.972 -17.730   6.814
  400   2HZ   LYS  55          2HZ       LYS  55   9.803 -17.562   5.659
  401   3HZ   LYS  55          3HZ       LYS  55  10.643 -16.239   6.183
  402    H    GLU  56           H        GLU  56   6.125 -14.015  10.680
  403    HA   GLU  56           HA       GLU  56   3.930 -15.325   9.309
  404   1HB   GLU  56          1HB       GLU  56   3.305 -16.301  11.342
  405   2HB   GLU  56          2HB       GLU  56   5.039 -16.084  11.469
  406   1HG   GLU  56          1HG       GLU  56   3.675 -13.734  12.627
  407   2HG   GLU  56          2HG       GLU  56   4.842 -14.821  13.362
  408    H    GLU  57           H        GLU  57   4.143 -12.291  11.078
  409    HA   GLU  57           HA       GLU  57   1.254 -11.754  11.359
  410   1HB   GLU  57          1HB       GLU  57   3.391  -9.574  11.337
  411   2HB   GLU  57          2HB       GLU  57   1.815  -9.540  12.100
  412   1HG   GLU  57          1HG       GLU  57   3.841 -11.640  13.027
  413   2HG   GLU  57          2HG       GLU  57   4.068  -9.968  13.512
  414    H    LEU  58           H        LEU  58   3.722 -10.989   8.945
  415    HA   LEU  58           HA       LEU  58   2.261  -9.172   7.216
  416   1HB   LEU  58          1HB       LEU  58   4.645 -10.973   6.898
  417   2HB   LEU  58          2HB       LEU  58   3.796 -10.632   5.405
  418    HG   LEU  58           HG       LEU  58   4.128  -8.197   5.669
  419   1HD1  LEU  58          1HD1      LEU  58   6.814  -9.597   6.250
  420   2HD1  LEU  58          2HD1      LEU  58   6.012  -9.640   4.674
  421   3HD1  LEU  58          3HD1      LEU  58   6.557  -8.083   5.345
  422   1HD2  LEU  58          1HD2      LEU  58   5.333  -7.171   7.567
  423   2HD2  LEU  58          2HD2      LEU  58   3.964  -8.106   8.218
  424   3HD2  LEU  58          3HD2      LEU  58   5.609  -8.762   8.318
  425    H    ASP  59           H        ASP  59   2.246 -12.679   7.537
  426    HA   ASP  59           HA       ASP  59   0.672 -13.393   5.187
  427   1HB   ASP  59          1HB       ASP  59   0.898 -14.905   7.852
  428   2HB   ASP  59          2HB       ASP  59   0.095 -15.528   6.430
  429    H    ALA  60           H        ALA  60  -0.218 -12.415   8.474
  430    HA   ALA  60           HA       ALA  60  -3.121 -12.725   8.341
  431   1HB   ALA  60          1HB       ALA  60  -3.197 -11.093  10.220
  432   2HB   ALA  60          2HB       ALA  60  -1.942 -12.320  10.479
  433   3HB   ALA  60          3HB       ALA  60  -1.486 -10.674   9.968
  434    H    ILE  61           H        ILE  61  -1.010  -9.918   7.647
  435    HA   ILE  61           HA       ILE  61  -2.875  -7.959   6.831
  436    HB   ILE  61           HB       ILE  61   0.004  -8.426   6.137
  437   1HG1  ILE  61          1HG1      ILE  61  -1.418  -5.828   7.013
  438   2HG1  ILE  61          2HG1      ILE  61  -0.876  -7.037   8.157
  439   1HG2  ILE  61          1HG2      ILE  61   0.094  -6.559   4.465
  440   2HG2  ILE  61          2HG2      ILE  61  -0.899  -7.884   3.864
  441   3HG2  ILE  61          3HG2      ILE  61  -1.681  -6.418   4.499
  442   1HD1  ILE  61          1HD1      ILE  61   0.999  -5.462   6.297
  443   2HD1  ILE  61          2HD1      ILE  61   0.807  -5.286   8.055
  444   3HD1  ILE  61          3HD1      ILE  61   1.514  -6.777   7.390
  445    H    ILE  62           H        ILE  62  -1.666 -10.808   5.153
  446    HA   ILE  62           HA       ILE  62  -2.732 -10.139   2.443
  447    HB   ILE  62           HB       ILE  62  -1.301 -12.510   3.641
  448   1HG1  ILE  62          1HG1      ILE  62  -0.781 -11.343   0.860
  449   2HG1  ILE  62          2HG1      ILE  62  -0.306 -10.402   2.258
  450   1HG2  ILE  62          1HG2      ILE  62  -1.718 -13.943   1.626
  451   2HG2  ILE  62          2HG2      ILE  62  -3.229 -13.624   2.475
  452   3HG2  ILE  62          3HG2      ILE  62  -2.858 -12.737   0.980
  453   1HD1  ILE  62          1HD1      ILE  62   0.756 -13.220   1.635
  454   2HD1  ILE  62          2HD1      ILE  62   1.626 -11.677   1.517
  455   3HD1  ILE  62          3HD1      ILE  62   1.135 -12.292   3.112
  456    H    GLU  63           H        GLU  63  -3.725 -12.065   5.242
  457    HA   GLU  63           HA       GLU  63  -6.162 -13.292   4.333
  458   1HB   GLU  63          1HB       GLU  63  -5.870 -11.994   7.089
  459   2HB   GLU  63          2HB       GLU  63  -6.973 -13.274   6.627
  460   1HG   GLU  63          1HG       GLU  63  -3.976 -13.786   6.313
  461   2HG   GLU  63          2HG       GLU  63  -4.656 -13.766   7.932
  462    H    GLU  64           H        GLU  64  -5.404  -9.932   4.977
  463    HA   GLU  64           HA       GLU  64  -8.219  -8.956   5.068
  464   1HB   GLU  64          1HB       GLU  64  -6.110  -7.956   6.254
  465   2HB   GLU  64          2HB       GLU  64  -5.774  -7.164   4.727
  466   1HG   GLU  64          1HG       GLU  64  -7.820  -5.832   4.837
  467   2HG   GLU  64          2HG       GLU  64  -8.502  -6.830   6.111
  468    H    VAL  65           H        VAL  65  -5.582  -7.817   2.954
  469    HA   VAL  65           HA       VAL  65  -7.217  -6.552   0.963
  470    HB   VAL  65           HB       VAL  65  -4.661  -6.357   1.287
  471   1HG1  VAL  65          1HG1      VAL  65  -5.642  -6.407  -1.640
  472   2HG1  VAL  65          2HG1      VAL  65  -6.070  -5.135  -0.481
  473   3HG1  VAL  65          3HG1      VAL  65  -4.367  -5.379  -0.939
  474   1HG2  VAL  65          1HG2      VAL  65  -3.147  -7.665  -0.122
  475   2HG2  VAL  65          2HG2      VAL  65  -4.122  -8.839   0.795
  476   3HG2  VAL  65          3HG2      VAL  65  -4.494  -8.526  -0.905
  477    H    ASP  66           H        ASP  66  -5.854  -9.858   0.994
  478    HA   ASP  66           HA       ASP  66  -7.461 -10.657  -1.440
  479   1HB   ASP  66          1HB       ASP  66  -4.971 -11.324  -1.042
  480   2HB   ASP  66          2HB       ASP  66  -5.567 -12.486   0.121
  481    H    GLU  67           H        GLU  67  -9.243 -10.022   0.285
  482    HA   GLU  67           HA       GLU  67 -10.225 -12.229   2.042
  483   1HB   GLU  67          1HB       GLU  67 -10.795  -9.866   2.521
  484   2HB   GLU  67          2HB       GLU  67 -11.685  -9.739   1.017
  485   1HG   GLU  67          1HG       GLU  67 -13.445 -11.247   1.802
  486   2HG   GLU  67          2HG       GLU  67 -12.479 -11.798   3.161
  487    H    ASP  68           H        ASP  68 -10.683 -11.114  -1.267
  488    HA   ASP  68           HA       ASP  68 -11.641 -13.815  -2.159
  489   1HB   ASP  68          1HB       ASP  68 -13.807 -13.028  -1.459
  490   2HB   ASP  68          2HB       ASP  68 -13.760 -13.039  -3.207
  491    H    GLY  69           H        GLY  69  -9.944 -13.906  -3.516
  492   1HA   GLY  69          1HA       GLY  69  -8.886 -13.719  -5.699
  493   2HA   GLY  69          2HA       GLY  69 -10.234 -12.684  -6.181
  494    H    SER  70           H        SER  70  -7.975 -11.942  -7.185
  495    HA   SER  70           HA       SER  70  -6.734  -9.913  -7.590
  496   1HB   SER  70          1HB       SER  70  -7.296  -7.907  -6.423
  497   2HB   SER  70          2HB       SER  70  -7.855  -8.768  -4.987
  498    HG   SER  70           HG       SER  70  -9.639  -9.389  -6.013
  499    H    GLY  71           H        GLY  71  -4.623  -9.793  -7.322
  500   1HA   GLY  71          1HA       GLY  71  -3.326 -10.247  -4.571
  501   2HA   GLY  71          2HA       GLY  71  -2.733 -11.133  -5.979
  502    H    THR  72           H        THR  72  -3.904  -7.814  -6.072
  503    HA   THR  72           HA       THR  72  -1.082  -6.742  -6.438
  504    HB   THR  72           HB       THR  72  -2.164  -5.187  -8.295
  505    HG1  THR  72           HG1      THR  72  -3.516  -6.733  -9.552
  506   1HG2  THR  72          1HG2      THR  72  -0.263  -7.033  -8.601
  507   2HG2  THR  72          2HG2      THR  72  -1.564  -7.988  -9.346
  508   3HG2  THR  72          3HG2      THR  72  -1.117  -6.402 -10.027
  509    H    ILE  73           H        ILE  73  -0.814  -4.575  -5.890
  510    HA   ILE  73           HA       ILE  73  -3.118  -3.078  -4.666
  511    HB   ILE  73           HB       ILE  73  -1.987  -4.585  -2.891
  512   1HG1  ILE  73          1HG1      ILE  73  -2.967  -1.752  -2.655
  513   2HG1  ILE  73          2HG1      ILE  73  -2.118  -2.370  -1.250
  514   1HG2  ILE  73          1HG2      ILE  73  -0.061  -3.707  -1.623
  515   2HG2  ILE  73          2HG2      ILE  73   0.428  -3.960  -3.304
  516   3HG2  ILE  73          3HG2      ILE  73   0.096  -2.313  -2.716
  517   1HD1  ILE  73          1HD1      ILE  73  -3.725  -4.116  -0.834
  518   2HD1  ILE  73          2HD1      ILE  73  -4.690  -2.695  -1.288
  519   3HD1  ILE  73          3HD1      ILE  73  -4.419  -3.994  -2.474
  520    H    ASP  74           H        ASP  74  -2.919  -0.906  -4.782
  521    HA   ASP  74           HA       ASP  74  -0.579   0.160  -6.429
  522   1HB   ASP  74          1HB       ASP  74  -2.208   2.113  -6.934
  523   2HB   ASP  74          2HB       ASP  74  -2.466   0.572  -7.720
  524    H    PHE  75           H        PHE  75  -0.683   2.786  -6.025
  525    HA   PHE  75           HA       PHE  75   0.729   3.121  -3.466
  526   1HB   PHE  75          1HB       PHE  75   1.310   4.349  -5.586
  527   2HB   PHE  75          2HB       PHE  75  -0.168   5.269  -5.483
  528    HD1  PHE  75           HD1      PHE  75   1.031   4.759  -2.123
  529    HD2  PHE  75           HD2      PHE  75   1.849   7.077  -5.656
  530    HE1  PHE  75           HE1      PHE  75   2.004   6.548  -0.739
  531    HE2  PHE  75           HE2      PHE  75   2.944   8.789  -4.264
  532    HZ   PHE  75           HZ       PHE  75   2.964   8.561  -1.805
  533    H    GLU  76           H        GLU  76  -2.506   3.841  -4.653
  534    HA   GLU  76           HA       GLU  76  -3.414   5.675  -2.569
  535   1HB   GLU  76          1HB       GLU  76  -4.970   3.870  -4.480
  536   2HB   GLU  76          2HB       GLU  76  -5.780   4.871  -3.291
  537   1HG   GLU  76          1HG       GLU  76  -4.473   6.905  -4.364
  538   2HG   GLU  76          2HG       GLU  76  -4.074   5.804  -5.672
  539    H    GLU  77           H        GLU  77  -4.142   2.204  -3.027
  540    HA   GLU  77           HA       GLU  77  -5.400   1.692  -0.447
  541   1HB   GLU  77          1HB       GLU  77  -4.050  -0.178  -2.439
  542   2HB   GLU  77          2HB       GLU  77  -4.615  -0.778  -0.892
  543   1HG   GLU  77          1HG       GLU  77  -6.563   0.797  -2.656
  544   2HG   GLU  77          2HG       GLU  77  -6.164  -0.856  -3.092
  545    H    PHE  78           H        PHE  78  -2.044   1.814  -1.486
  546    HA   PHE  78           HA       PHE  78  -0.730   0.517   0.752
  547   1HB   PHE  78          1HB       PHE  78   0.664   0.849  -1.105
  548   2HB   PHE  78          2HB       PHE  78   0.180   2.506  -1.354
  549    HD1  PHE  78           HD1      PHE  78   1.319   1.035   1.948
  550    HD2  PHE  78           HD2      PHE  78   2.337   3.593  -1.358
  551    HE1  PHE  78           HE1      PHE  78   3.391   1.710   3.094
  552    HE2  PHE  78           HE2      PHE  78   4.408   4.249  -0.201
  553    HZ   PHE  78           HZ       PHE  78   4.932   3.322   2.028
  554    H    LEU  79           H        LEU  79  -1.822   3.850   0.236
  555    HA   LEU  79           HA       LEU  79  -0.755   4.982   2.762
  556   1HB   LEU  79          1HB       LEU  79  -2.403   6.901   2.243
  557   2HB   LEU  79          2HB       LEU  79  -2.901   6.013   0.819
  558    HG   LEU  79           HG       LEU  79  -0.749   6.269  -0.262
  559   1HD1  LEU  79          1HD1      LEU  79   0.420   7.466   2.330
  560   2HD1  LEU  79          2HD1      LEU  79   0.691   5.798   1.791
  561   3HD1  LEU  79          3HD1      LEU  79   1.291   7.156   0.807
  562   1HD2  LEU  79          1HD2      LEU  79  -0.512   8.707  -0.454
  563   2HD2  LEU  79          2HD2      LEU  79  -2.239   8.368  -0.187
  564   3HD2  LEU  79          3HD2      LEU  79  -1.246   8.968   1.148
  565    H    VAL  80           H        VAL  80  -3.748   3.437   1.736
  566    HA   VAL  80           HA       VAL  80  -5.421   3.969   4.077
  567    HB   VAL  80           HB       VAL  80  -5.508   1.676   2.060
  568   1HG1  VAL  80          1HG1      VAL  80  -7.752   1.053   2.975
  569   2HG1  VAL  80          2HG1      VAL  80  -6.489   0.795   4.185
  570   3HG1  VAL  80          3HG1      VAL  80  -7.552   2.215   4.312
  571   1HG2  VAL  80          1HG2      VAL  80  -7.416   4.077   2.437
  572   2HG2  VAL  80          2HG2      VAL  80  -6.205   3.922   1.143
  573   3HG2  VAL  80          3HG2      VAL  80  -7.564   2.791   1.213
  574    H    MET  81           H        MET  81  -2.901   1.618   3.338
  575    HA   MET  81           HA       MET  81  -3.309  -0.167   5.661
  576   1HB   MET  81          1HB       MET  81  -1.220  -1.259   5.032
  577   2HB   MET  81          2HB       MET  81  -0.712   0.107   4.056
  578   1HG   MET  81          1HG       MET  81  -2.010  -0.513   2.224
  579   2HG   MET  81          2HG       MET  81  -3.340  -1.126   3.219
  580   1HE   MET  81          1HE       MET  81  -3.728  -2.951   1.714
  581   2HE   MET  81          2HE       MET  81  -2.319  -3.194   0.640
  582   3HE   MET  81          3HE       MET  81  -2.850  -4.513   1.725
  583    H    MET  82           H        MET  82  -1.401   2.716   5.002
  584    HA   MET  82           HA       MET  82   0.338   2.696   7.369
  585   1HB   MET  82          1HB       MET  82  -0.292   4.607   5.186
  586   2HB   MET  82          2HB       MET  82  -0.082   5.437   6.714
  587   1HG   MET  82          1HG       MET  82   2.208   4.727   6.969
  588   2HG   MET  82          2HG       MET  82   2.026   5.222   5.279
  589   1HE   MET  82          1HE       MET  82   4.684   2.874   5.831
  590   2HE   MET  82          2HE       MET  82   3.782   3.349   7.300
  591   3HE   MET  82          3HE       MET  82   3.883   1.626   6.837
  592    H    VAL  83           H        VAL  83  -2.578   4.647   6.661
  593    HA   VAL  83           HA       VAL  83  -2.983   5.761   9.293
  594    HB   VAL  83           HB       VAL  83  -5.157   5.211   7.206
  595   1HG1  VAL  83          1HG1      VAL  83  -6.446   7.042   8.320
  596   2HG1  VAL  83          2HG1      VAL  83  -6.179   5.698   9.439
  597   3HG1  VAL  83          3HG1      VAL  83  -5.201   7.177   9.589
  598   1HG2  VAL  83          1HG2      VAL  83  -3.487   7.778   7.637
  599   2HG2  VAL  83          2HG2      VAL  83  -3.363   6.680   6.243
  600   3HG2  VAL  83          3HG2      VAL  83  -4.854   7.597   6.507
  601    NH1  ARG  84           NH1      ARG  84  -7.874  -2.328   4.668
  602    NH2  ARG  84           NH2      ARG  84  -9.916  -1.667   5.413
  603    H    ARG  84           H        ARG  84  -3.895   2.654   7.912
  604    HA   ARG  84           HA       ARG  84  -5.727   1.721  10.044
  605   1HB   ARG  84          1HB       ARG  84  -4.786  -0.635   8.963
  606   2HB   ARG  84          2HB       ARG  84  -4.347   0.477   7.674
  607   1HG   ARG  84          1HG       ARG  84  -7.187   0.167   8.822
  608   2HG   ARG  84          2HG       ARG  84  -6.736   1.326   7.570
  609   1HD   ARG  84          1HD       ARG  84  -5.909  -0.661   6.128
  610   2HD   ARG  84          2HD       ARG  84  -6.591  -1.751   7.333
  611    HE   ARG  84           HE       ARG  84  -8.623   0.211   6.417
  612   1HH1  ARG  84          1HH1      ARG  84  -8.389  -3.015   4.105
  613   2HH1  ARG  84          2HH1      ARG  84  -6.859  -2.179   4.678
  614   1HH2  ARG  84          1HH2      ARG  84 -10.458  -1.003   5.977
  615   2HH2  ARG  84          2HH2      ARG  84 -10.288  -2.411   4.813
  616    H    GLN  85           H        GLN  85  -2.231   1.513   9.495
  617    HA   GLN  85           HA       GLN  85  -1.672  -0.517  11.603
  618   1HB   GLN  85          1HB       GLN  85   0.497   1.345  10.553
  619   2HB   GLN  85          2HB       GLN  85  -0.265   0.223   9.438
  620   1HG   GLN  85          1HG       GLN  85   0.922  -0.766  12.089
  621   2HG   GLN  85          2HG       GLN  85   1.935  -0.513  10.683
  622   1HE2  GLN  85          1HE2      GLN  85  -0.533  -3.817  10.860
  623   2HE2  GLN  85          2HE2      GLN  85  -0.731  -2.415  12.027
  624    H    MET  86           H        MET  86  -0.519   2.851  11.327
  625    HA   MET  86           HA       MET  86   0.487   3.296  13.927
  626   1HB   MET  86          1HB       MET  86  -0.108   4.972  11.686
  627   2HB   MET  86          2HB       MET  86  -0.915   5.729  13.047
  628   1HG   MET  86          1HG       MET  86   1.523   6.479  12.572
  629   2HG   MET  86          2HG       MET  86   2.048   4.906  13.193
  630   1HE   MET  86          1HE       MET  86   3.493   6.016  14.624
  631   2HE   MET  86          2HE       MET  86   3.108   7.161  15.943
  632   3HE   MET  86          3HE       MET  86   2.968   5.401  16.223
  633    H    LYS  87           H        LYS  87  -2.866   3.340  12.863
  634    HA   LYS  87           HA       LYS  87  -4.077   4.425  15.349
  635   1HB   LYS  87          1HB       LYS  87  -5.392   4.634  13.341
  636   2HB   LYS  87          2HB       LYS  87  -5.252   2.935  12.941
  637   1HG   LYS  87          1HG       LYS  87  -7.507   3.380  13.722
  638   2HG   LYS  87          2HG       LYS  87  -6.719   2.331  14.884
  639   1HD   LYS  87          1HD       LYS  87  -8.118   4.123  15.981
  640   2HD   LYS  87          2HD       LYS  87  -6.439   4.131  16.493
  641   1HE   LYS  87          1HE       LYS  87  -7.293   6.453  16.120
  642   2HE   LYS  87          2HE       LYS  87  -5.902   6.099  15.092
  643   1HZ   LYS  87          1HZ       LYS  87  -8.590   5.609  13.987
  644   2HZ   LYS  87          2HZ       LYS  87  -8.080   7.174  14.131
  645   3HZ   LYS  87          3HZ       LYS  87  -7.215   6.104  13.217
  646    H    GLU  88           H        GLU  88  -3.867   1.141  13.926
  647    HA   GLU  88           HA       GLU  88  -3.894  -1.054  14.896
  648   1HB   GLU  88          1HB       GLU  88  -1.863  -0.293  16.006
  649   2HB   GLU  88          2HB       GLU  88  -2.770   0.523  17.265
  650   1HG   GLU  88          1HG       GLU  88  -3.733  -2.063  17.604
  651   2HG   GLU  88          2HG       GLU  88  -2.145  -2.418  16.943
  652    H    ASP  89           H        ASP  89  -4.567   0.406  18.007
  653    HA   ASP  89           HA       ASP  89  -7.546   0.012  17.840
  654   1HB   ASP  89          1HB       ASP  89  -5.802  -1.975  19.304
  655   2HB   ASP  89          2HB       ASP  89  -7.270  -2.223  18.386
  656    H    ALA  90           H        ALA  90  -5.160   0.015  20.497
  657    HA   ALA  90           HA       ALA  90  -6.514   2.452  21.740
  658   1HB   ALA  90          1HB       ALA  90  -5.632   1.768  23.858
  659   2HB   ALA  90          2HB       ALA  90  -6.049   0.227  23.083
  660   3HB   ALA  90          3HB       ALA  90  -4.351   0.761  23.139
   
  Start of MODEL          37
 Raw file had  660 H/Q atoms
  Start of MODEL   37
    1   1H    ALA   1          1H        ALA   1 -19.922  -3.846  -1.826
    2   2H    ALA   1          2H        ALA   1 -19.422  -3.875  -3.431
    3   3H    ALA   1          3H        ALA   1 -18.308  -4.135  -2.199
    4    HA   ALA   1           HA       ALA   1 -17.914  -1.986  -2.928
    5   1HB   ALA   1          1HB       ALA   1 -20.425  -2.028  -3.971
    6   2HB   ALA   1          2HB       ALA   1 -20.783  -1.057  -2.530
    7   3HB   ALA   1          3HB       ALA   1 -19.561  -0.496  -3.700
    8    H    SER   2           H        SER   2 -16.892  -2.337  -0.890
    9    HA   SER   2           HA       SER   2 -18.205  -0.890   1.473
   10   1HB   SER   2          1HB       SER   2 -16.775  -2.718   2.857
   11   2HB   SER   2          2HB       SER   2 -18.453  -2.974   2.370
   12    HG   SER   2           HG       SER   2 -17.812  -4.528   1.187
   13    H    MET   3           H        MET   3 -16.836   0.311   2.721
   14    HA   MET   3           HA       MET   3 -14.994   1.804   3.166
   15   1HB   MET   3          1HB       MET   3 -14.062  -0.199   4.194
   16   2HB   MET   3          2HB       MET   3 -13.522  -0.834   2.648
   17   1HG   MET   3          1HG       MET   3 -12.294   1.810   3.050
   18   2HG   MET   3          2HG       MET   3 -12.038   0.807   4.487
   19   1HE   MET   3          1HE       MET   3 -10.169  -2.070   3.805
   20   2HE   MET   3          2HE       MET   3 -11.890  -1.746   4.166
   21   3HE   MET   3          3HE       MET   3 -11.439  -2.565   2.642
   22    H    THR   4           H        THR   4 -16.137   1.841   0.581
   23    HA   THR   4           HA       THR   4 -13.913   2.293  -1.401
   24    HB   THR   4           HB       THR   4 -16.664   3.289  -2.057
   25    HG1  THR   4           HG1      THR   4 -16.193   0.546  -2.222
   26   1HG2  THR   4          1HG2      THR   4 -16.272   2.199  -4.234
   27   2HG2  THR   4          2HG2      THR   4 -14.890   3.250  -3.856
   28   3HG2  THR   4          3HG2      THR   4 -14.746   1.483  -3.674
   29    H    ASP   5           H        ASP   5 -14.483   3.882   1.250
   30    HA   ASP   5           HA       ASP   5 -14.230   6.684   0.029
   31   1HB   ASP   5          1HB       ASP   5 -15.490   6.022   2.751
   32   2HB   ASP   5          2HB       ASP   5 -15.248   7.624   2.093
   33    H    GLN   6           H        GLN   6 -13.263   4.460   2.605
   34    HA   GLN   6           HA       GLN   6 -11.482   6.013   4.199
   35   1HB   GLN   6          1HB       GLN   6 -10.941   3.093   3.397
   36   2HB   GLN   6          2HB       GLN   6 -10.282   3.943   4.783
   37   1HG   GLN   6          1HG       GLN   6 -12.899   4.298   5.405
   38   2HG   GLN   6          2HG       GLN   6 -13.114   2.901   4.371
   39   1HE2  GLN   6          1HE2      GLN   6 -12.505   0.955   7.333
   40   2HE2  GLN   6          2HE2      GLN   6 -13.678   1.478   6.022
   41    H    GLN   7           H        GLN   7 -11.002   4.695   0.974
   42    HA   GLN   7           HA       GLN   7  -8.217   4.851   0.465
   43   1HB   GLN   7          1HB       GLN   7  -9.044   5.907  -1.892
   44   2HB   GLN   7          2HB       GLN   7  -9.191   4.210  -1.473
   45   1HG   GLN   7          1HG       GLN   7 -11.510   4.274  -1.254
   46   2HG   GLN   7          2HG       GLN   7 -11.549   5.930  -0.683
   47   1HE2  GLN   7          1HE2      GLN   7 -11.979   7.304  -3.992
   48   2HE2  GLN   7          2HE2      GLN   7 -11.515   7.650  -2.251
   49    H    ALA   8           H        ALA   8 -10.480   7.579  -0.108
   50    HA   ALA   8           HA       ALA   8  -8.359   9.589  -0.513
   51   1HB   ALA   8          1HB       ALA   8 -10.870   9.555  -1.345
   52   2HB   ALA   8          2HB       ALA   8 -11.222  10.368   0.192
   53   3HB   ALA   8          3HB       ALA   8 -10.101  11.115  -0.974
   54    H    GLU   9           H        GLU   9 -10.294   8.516   2.227
   55    HA   GLU   9           HA       GLU   9 -10.065  10.741   4.061
   56   1HB   GLU   9          1HB       GLU   9 -11.430   8.475   4.247
   57   2HB   GLU   9          2HB       GLU   9 -10.023   7.887   5.111
   58   1HG   GLU   9          1HG       GLU   9 -11.231  10.536   6.029
   59   2HG   GLU   9          2HG       GLU   9 -10.365   9.330   6.966
   60    H    ALA  10           H        ALA  10  -7.832   8.142   3.238
   61    HA   ALA  10           HA       ALA  10  -5.936   8.417   5.468
   62   1HB   ALA  10          1HB       ALA  10  -4.408   7.023   4.082
   63   2HB   ALA  10          2HB       ALA  10  -6.050   6.352   4.104
   64   3HB   ALA  10          3HB       ALA  10  -5.464   7.220   2.663
   65    NH1  ARG  11           NH1      ARG  11  -3.566  14.529  -3.805
   66    NH2  ARG  11           NH2      ARG  11  -4.510  16.379  -2.884
   67    H    ARG  11           H        ARG  11  -6.054   9.749   2.171
   68    HA   ARG  11           HA       ARG  11  -3.399  11.002   2.059
   69   1HB   ARG  11          1HB       ARG  11  -4.433  10.739  -0.053
   70   2HB   ARG  11          2HB       ARG  11  -5.980  11.366   0.498
   71   1HG   ARG  11          1HG       ARG  11  -5.275  13.654   0.426
   72   2HG   ARG  11          2HG       ARG  11  -3.560  13.239   0.405
   73   1HD   ARG  11          1HD       ARG  11  -5.174  12.141  -1.910
   74   2HD   ARG  11          2HD       ARG  11  -3.527  12.766  -1.894
   75    HE   ARG  11           HE       ARG  11  -5.954  14.630  -1.754
   76   1HH1  ARG  11          1HH1      ARG  11  -4.037  16.896  -3.633
   77   2HH1  ARG  11          2HH1      ARG  11  -5.084  16.773  -2.131
   78   1HH2  ARG  11          1HH2      ARG  11  -3.384  13.522  -3.730
   79   2HH2  ARG  11          2HH2      ARG  11  -3.198  15.169  -4.518
   80    H    ALA  12           H        ALA  12  -6.556  12.041   3.247
   81    HA   ALA  12           HA       ALA  12  -6.084  14.921   3.497
   82   1HB   ALA  12          1HB       ALA  12  -8.047  14.948   5.022
   83   2HB   ALA  12          2HB       ALA  12  -8.368  13.967   3.578
   84   3HB   ALA  12          3HB       ALA  12  -8.025  13.171   5.134
   85    H    PHE  13           H        PHE  13  -5.872  12.278   5.908
   86    HA   PHE  13           HA       PHE  13  -5.064  13.681   8.242
   87   1HB   PHE  13          1HB       PHE  13  -5.579  11.216   8.125
   88   2HB   PHE  13          2HB       PHE  13  -4.037  10.912   7.370
   89    HD1  PHE  13           HD1      PHE  13  -2.166  10.380   8.778
   90    HD2  PHE  13           HD2      PHE  13  -5.501  12.483  10.507
   91    HE1  PHE  13           HE1      PHE  13  -1.163  10.156  11.015
   92    HE2  PHE  13           HE2      PHE  13  -4.495  12.224  12.737
   93    HZ   PHE  13           HZ       PHE  13  -2.328  11.064  12.997
   94    H    LEU  14           H        LEU  14  -3.074  12.533   5.535
   95    HA   LEU  14           HA       LEU  14  -0.487  13.540   6.675
   96   1HB   LEU  14          1HB       LEU  14   0.605  12.482   4.888
   97   2HB   LEU  14          2HB       LEU  14  -0.721  12.710   3.768
   98    HG   LEU  14           HG       LEU  14  -2.046  10.907   4.940
   99   1HD1  LEU  14          1HD1      LEU  14   0.490  10.389   6.617
  100   2HD1  LEU  14          2HD1      LEU  14  -0.971  11.179   7.238
  101   3HD1  LEU  14          3HD1      LEU  14  -1.045   9.486   6.691
  102   1HD2  LEU  14          1HD2      LEU  14  -0.785   8.989   4.056
  103   2HD2  LEU  14          2HD2      LEU  14  -0.481  10.369   2.971
  104   3HD2  LEU  14          3HD2      LEU  14   0.754   9.884   4.143
  105    H    SER  15           H        SER  15   0.872  15.016   5.402
  106    HA   SER  15           HA       SER  15  -0.624  17.504   4.608
  107   1HB   SER  15          1HB       SER  15   2.376  17.475   4.445
  108   2HB   SER  15          2HB       SER  15   1.277  18.679   5.123
  109    HG   SER  15           HG       SER  15   1.963  17.829   6.894
  110    H    GLU  16           H        GLU  16   0.946  18.686   2.779
  111    HA   GLU  16           HA       GLU  16   0.246  17.241   0.231
  112   1HB   GLU  16          1HB       GLU  16   1.532  20.004   0.392
  113   2HB   GLU  16          2HB       GLU  16  -0.166  19.768   0.754
  114   1HG   GLU  16          1HG       GLU  16   0.054  20.499  -1.574
  115   2HG   GLU  16          2HG       GLU  16  -0.553  18.851  -1.567
  116    H    GLU  17           H        GLU  17   3.087  18.460   1.945
  117    HA   GLU  17           HA       GLU  17   5.045  17.731  -0.206
  118   1HB   GLU  17          1HB       GLU  17   6.818  18.475   1.319
  119   2HB   GLU  17          2HB       GLU  17   5.566  19.683   1.112
  120   1HG   GLU  17          1HG       GLU  17   5.658  17.825   3.571
  121   2HG   GLU  17          2HG       GLU  17   4.652  19.249   3.365
  122    H    MET  18           H        MET  18   3.853  16.397   2.829
  123    HA   MET  18           HA       MET  18   5.835  14.308   3.304
  124   1HB   MET  18          1HB       MET  18   2.991  14.763   4.257
  125   2HB   MET  18          2HB       MET  18   4.489  14.705   5.168
  126   1HG   MET  18          1HG       MET  18   4.303  12.057   4.199
  127   2HG   MET  18          2HG       MET  18   2.611  12.492   4.488
  128   1HE   MET  18          1HE       MET  18   6.050  12.006   7.498
  129   2HE   MET  18          2HE       MET  18   6.157  12.237   5.728
  130   3HE   MET  18          3HE       MET  18   6.037  13.658   6.805
  131    H    ILE  19           H        ILE  19   3.000  14.507   1.234
  132    HA   ILE  19           HA       ILE  19   2.737  11.689   0.462
  133    HB   ILE  19           HB       ILE  19   1.943  14.189  -1.116
  134   1HG1  ILE  19          1HG1      ILE  19   0.774  13.719   1.192
  135   2HG1  ILE  19          2HG1      ILE  19  -0.233  14.047  -0.201
  136   1HG2  ILE  19          1HG2      ILE  19   0.509  12.691  -2.520
  137   2HG2  ILE  19          2HG2      ILE  19   2.204  12.230  -2.672
  138   3HG2  ILE  19          3HG2      ILE  19   1.117  11.259  -1.654
  139   1HD1  ILE  19          1HD1      ILE  19   0.246  11.240   0.957
  140   2HD1  ILE  19          2HD1      ILE  19  -1.237  12.212   1.038
  141   3HD1  ILE  19          3HD1      ILE  19  -0.679  11.583  -0.530
  142    H    ALA  20           H        ALA  20   4.597  14.427  -0.850
  143    HA   ALA  20           HA       ALA  20   5.650  13.301  -3.270
  144   1HB   ALA  20          1HB       ALA  20   7.500  15.062  -1.652
  145   2HB   ALA  20          2HB       ALA  20   7.044  15.153  -3.364
  146   3HB   ALA  20          3HB       ALA  20   5.918  15.737  -2.111
  147    H    GLU  21           H        GLU  21   7.147  13.310  -0.014
  148    HA   GLU  21           HA       GLU  21   9.516  11.711  -0.789
  149   1HB   GLU  21          1HB       GLU  21   8.428  12.620   1.911
  150   2HB   GLU  21          2HB       GLU  21   9.777  11.506   1.813
  151   1HG   GLU  21          1HG       GLU  21  10.195  13.894   0.069
  152   2HG   GLU  21          2HG       GLU  21   9.891  14.344   1.738
  153    H    PHE  22           H        PHE  22   6.334  11.031   0.535
  154    HA   PHE  22           HA       PHE  22   6.519   8.322   1.446
  155   1HB   PHE  22          1HB       PHE  22   4.435   9.958   1.283
  156   2HB   PHE  22          2HB       PHE  22   4.145   9.218  -0.269
  157    HD1  PHE  22           HD1      PHE  22   1.902   8.605   0.992
  158    HD2  PHE  22           HD2      PHE  22   5.692   6.896   2.104
  159    HE1  PHE  22           HE1      PHE  22   0.755   6.632   1.907
  160    HE2  PHE  22           HE2      PHE  22   4.524   4.943   3.041
  161    HZ   PHE  22           HZ       PHE  22   2.058   4.808   2.950
  162    H    LYS  23           H        LYS  23   5.303   9.167  -1.802
  163    HA   LYS  23           HA       LYS  23   5.452   6.615  -3.048
  164   1HB   LYS  23          1HB       LYS  23   4.307   8.162  -4.356
  165   2HB   LYS  23          2HB       LYS  23   5.773   7.936  -5.285
  166   1HG   LYS  23          1HG       LYS  23   5.403  10.283  -3.334
  167   2HG   LYS  23          2HG       LYS  23   6.683  10.097  -4.517
  168   1HD   LYS  23          1HD       LYS  23   5.174  11.696  -5.490
  169   2HD   LYS  23          2HD       LYS  23   3.755  10.811  -4.955
  170   1HE   LYS  23          1HE       LYS  23   5.641   9.799  -7.171
  171   2HE   LYS  23          2HE       LYS  23   4.150   9.008  -6.656
  172   1HZ   LYS  23          1HZ       LYS  23   3.380  10.236  -8.397
  173   2HZ   LYS  23          2HZ       LYS  23   3.183  11.404  -7.245
  174   3HZ   LYS  23          3HZ       LYS  23   4.498  11.443  -8.245
  175    H    ALA  24           H        ALA  24   8.023   8.935  -2.442
  176    HA   ALA  24           HA       ALA  24  10.171   8.205  -4.112
  177   1HB   ALA  24          1HB       ALA  24  11.723   8.862  -2.284
  178   2HB   ALA  24          2HB       ALA  24  10.359   9.989  -2.402
  179   3HB   ALA  24          3HB       ALA  24  10.404   8.783  -1.091
  180    H    ALA  25           H        ALA  25   9.503   6.684  -0.936
  181    HA   ALA  25           HA       ALA  25  11.525   4.562  -1.182
  182   1HB   ALA  25          1HB       ALA  25  10.507   3.625   0.886
  183   2HB   ALA  25          2HB       ALA  25  10.755   5.375   1.028
  184   3HB   ALA  25          3HB       ALA  25   9.119   4.729   0.742
  185    H    PHE  26           H        PHE  26   8.062   4.761  -1.849
  186    HA   PHE  26           HA       PHE  26   7.362   1.967  -2.203
  187   1HB   PHE  26          1HB       PHE  26   5.771   3.987  -2.148
  188   2HB   PHE  26          2HB       PHE  26   6.188   4.315  -3.809
  189    HD1  PHE  26           HD1      PHE  26   3.445   3.421  -2.366
  190    HD2  PHE  26           HD2      PHE  26   6.338   1.285  -4.727
  191    HE1  PHE  26           HE1      PHE  26   1.664   1.980  -3.265
  192    HE2  PHE  26           HE2      PHE  26   4.548  -0.167  -5.591
  193    HZ   PHE  26           HZ       PHE  26   2.217   0.155  -4.837
  194    H    ASP  27           H        ASP  27   9.021   4.286  -4.270
  195    HA   ASP  27           HA       ASP  27   8.876   2.657  -6.773
  196   1HB   ASP  27          1HB       ASP  27   9.022   5.273  -6.603
  197   2HB   ASP  27          2HB       ASP  27  10.740   5.046  -6.370
  198    H    MET  28           H        MET  28  11.095   3.134  -4.107
  199    HA   MET  28           HA       MET  28  13.608   2.179  -5.002
  200   1HB   MET  28          1HB       MET  28  12.743   0.929  -2.403
  201   2HB   MET  28          2HB       MET  28  12.588   2.674  -2.490
  202   1HG   MET  28          1HG       MET  28  15.126   0.990  -2.589
  203   2HG   MET  28          2HG       MET  28  15.131   2.561  -3.407
  204   1HE   MET  28          1HE       MET  28  16.777   4.225  -0.625
  205   2HE   MET  28          2HE       MET  28  17.191   2.487  -0.546
  206   3HE   MET  28          3HE       MET  28  16.956   3.274  -2.134
  207    H    PHE  29           H        PHE  29  10.708   0.289  -4.223
  208    HA   PHE  29           HA       PHE  29  12.051  -2.336  -5.011
  209   1HB   PHE  29          1HB       PHE  29   9.285  -1.828  -3.739
  210   2HB   PHE  29          2HB       PHE  29   9.869  -3.395  -4.225
  211    HD1  PHE  29           HD1      PHE  29   9.065  -3.145  -1.470
  212    HD2  PHE  29           HD2      PHE  29  12.888  -2.167  -3.192
  213    HE1  PHE  29           HE1      PHE  29  10.151  -3.493   0.711
  214    HE2  PHE  29           HE2      PHE  29  13.950  -2.509  -0.998
  215    HZ   PHE  29           HZ       PHE  29  12.589  -3.171   0.952
  216    H    ASP  30           H        ASP  30   9.495  -0.083  -5.925
  217    HA   ASP  30           HA       ASP  30   8.377  -1.688  -8.166
  218   1HB   ASP  30          1HB       ASP  30   7.254   0.325  -6.841
  219   2HB   ASP  30          2HB       ASP  30   8.079   1.341  -8.000
  220    H    ALA  31           H        ALA  31  10.092  -2.338  -9.396
  221    HA   ALA  31           HA       ALA  31  12.309  -0.702 -10.397
  222   1HB   ALA  31          1HB       ALA  31  12.739  -2.604 -11.959
  223   2HB   ALA  31          2HB       ALA  31  12.444  -3.169 -10.303
  224   3HB   ALA  31          3HB       ALA  31  11.173  -3.339 -11.542
  225    H    ASP  32           H        ASP  32   9.412  -1.946 -12.087
  226    HA   ASP  32           HA       ASP  32   9.195   0.591 -13.743
  227   1HB   ASP  32          1HB       ASP  32  10.440  -0.547 -15.358
  228   2HB   ASP  32          2HB       ASP  32   9.830  -2.124 -14.915
  229    H    GLY  33           H        GLY  33   7.137   1.106 -14.242
  230   1HA   GLY  33          1HA       GLY  33   4.716   0.157 -14.801
  231   2HA   GLY  33          2HA       GLY  33   4.893  -0.760 -13.301
  232    H    GLY  34           H        GLY  34   6.088   1.089 -11.632
  233   1HA   GLY  34          1HA       GLY  34   5.470   2.810 -10.032
  234   2HA   GLY  34          2HA       GLY  34   5.181   3.788 -11.475
  235    H    GLY  35           H        GLY  35   3.504   0.844 -10.388
  236   1HA   GLY  35          1HA       GLY  35   0.900   0.926 -11.018
  237   2HA   GLY  35          2HA       GLY  35   0.896   2.420 -10.076
  238    H    ASP  36           H        ASP  36   2.290  -0.835  -9.625
  239    HA   ASP  36           HA       ASP  36   1.361  -0.919  -6.729
  240   1HB   ASP  36          1HB       ASP  36   0.452  -3.334  -7.195
  241   2HB   ASP  36          2HB       ASP  36  -0.560  -1.940  -7.491
  242    H    ILE  37           H        ILE  37   2.064  -3.192  -5.851
  243    HA   ILE  37           HA       ILE  37   4.680  -4.240  -6.991
  244    HB   ILE  37           HB       ILE  37   5.880  -3.981  -4.812
  245   1HG1  ILE  37          1HG1      ILE  37   3.462  -2.243  -4.055
  246   2HG1  ILE  37          2HG1      ILE  37   5.046  -1.859  -3.417
  247   1HG2  ILE  37          1HG2      ILE  37   6.646  -1.646  -5.258
  248   2HG2  ILE  37          2HG2      ILE  37   6.360  -2.496  -6.784
  249   3HG2  ILE  37          3HG2      ILE  37   5.174  -1.304  -6.200
  250   1HD1  ILE  37          1HD1      ILE  37   5.256  -4.047  -2.279
  251   2HD1  ILE  37          2HD1      ILE  37   3.738  -3.246  -1.820
  252   3HD1  ILE  37          3HD1      ILE  37   3.709  -4.591  -2.983
  253    H    SER  38           H        SER  38   5.353  -6.175  -5.756
  254    HA   SER  38           HA       SER  38   3.243  -8.132  -5.330
  255   1HB   SER  38          1HB       SER  38   5.910  -8.351  -5.714
  256   2HB   SER  38          2HB       SER  38   5.906  -8.558  -3.961
  257    HG   SER  38           HG       SER  38   4.818 -10.133  -5.968
  258    H    THR  39           H        THR  39   2.341  -8.972  -3.499
  259    HA   THR  39           HA       THR  39   1.953  -7.140  -1.172
  260    HB   THR  39           HB       THR  39   0.156  -8.411  -0.501
  261    HG1  THR  39           HG1      THR  39  -0.070 -10.578  -0.899
  262   1HG2  THR  39          1HG2      THR  39  -1.192  -9.120  -2.428
  263   2HG2  THR  39          2HG2      THR  39  -0.301  -7.645  -2.871
  264   3HG2  THR  39          3HG2      THR  39   0.245  -9.234  -3.471
  265    H    LYS  40           H        LYS  40   3.738 -10.079  -1.902
  266    HA   LYS  40           HA       LYS  40   4.301 -11.007   0.817
  267   1HB   LYS  40          1HB       LYS  40   4.812 -11.997  -1.748
  268   2HB   LYS  40          2HB       LYS  40   5.292 -12.742  -0.237
  269   1HG   LYS  40          1HG       LYS  40   7.064 -10.746  -1.768
  270   2HG   LYS  40          2HG       LYS  40   7.542 -11.696  -0.375
  271   1HD   LYS  40          1HD       LYS  40   6.829 -13.771  -2.045
  272   2HD   LYS  40          2HD       LYS  40   7.176 -12.549  -3.258
  273   1HE   LYS  40          1HE       LYS  40   9.145 -14.100  -2.610
  274   2HE   LYS  40          2HE       LYS  40   9.225 -13.253  -1.063
  275   1HZ   LYS  40          1HZ       LYS  40   9.854 -12.249  -3.755
  276   2HZ   LYS  40          2HZ       LYS  40   9.315 -11.157  -2.639
  277   3HZ   LYS  40          3HZ       LYS  40  10.678 -12.041  -2.338
  278    H    GLU  41           H        GLU  41   5.847  -8.698  -1.350
  279    HA   GLU  41           HA       GLU  41   8.230  -8.273   0.452
  280   1HB   GLU  41          1HB       GLU  41   7.502  -7.310  -2.336
  281   2HB   GLU  41          2HB       GLU  41   8.726  -6.449  -1.424
  282   1HG   GLU  41          1HG       GLU  41   9.527  -9.174  -1.174
  283   2HG   GLU  41          2HG       GLU  41   8.890  -9.082  -2.807
  284    H    LEU  42           H        LEU  42   5.265  -6.658  -0.561
  285    HA   LEU  42           HA       LEU  42   5.401  -4.012   0.222
  286   1HB   LEU  42          1HB       LEU  42   3.199  -6.051   0.362
  287   2HB   LEU  42          2HB       LEU  42   3.285  -4.540  -0.519
  288    HG   LEU  42           HG       LEU  42   3.098  -3.494   2.009
  289   1HD1  LEU  42          1HD1      LEU  42   0.635  -3.226   1.595
  290   2HD1  LEU  42          2HD1      LEU  42   1.571  -2.922   0.123
  291   3HD1  LEU  42          3HD1      LEU  42   0.700  -4.464   0.315
  292   1HD2  LEU  42          1HD2      LEU  42   1.559  -6.170   2.224
  293   2HD2  LEU  42          2HD2      LEU  42   2.996  -5.710   3.171
  294   3HD2  LEU  42          3HD2      LEU  42   1.479  -4.819   3.385
  295    H    GLY  43           H        GLY  43   4.928  -6.764   2.444
  296   1HA   GLY  43          1HA       GLY  43   4.891  -5.529   5.041
  297   2HA   GLY  43          2HA       GLY  43   5.651  -7.093   4.724
  298    H    THR  44           H        THR  44   7.826  -6.932   3.563
  299    HA   THR  44           HA       THR  44   9.874  -5.979   5.143
  300    HB   THR  44           HB       THR  44   9.815  -6.462   2.164
  301    HG1  THR  44           HG1      THR  44  10.021  -7.957   4.102
  302   1HG2  THR  44          1HG2      THR  44  12.295  -6.182   2.008
  303   2HG2  THR  44          2HG2      THR  44  11.491  -4.625   2.294
  304   3HG2  THR  44          3HG2      THR  44  12.329  -5.451   3.632
  305    H    VAL  45           H        VAL  45   8.028  -4.092   2.836
  306    HA   VAL  45           HA       VAL  45   9.735  -1.756   2.543
  307    HB   VAL  45           HB       VAL  45   6.681  -1.718   2.365
  308   1HG1  VAL  45          1HG1      VAL  45   8.623  -2.301   0.043
  309   2HG1  VAL  45          2HG1      VAL  45   7.744  -3.564   0.914
  310   3HG1  VAL  45          3HG1      VAL  45   6.840  -2.329   0.007
  311   1HG2  VAL  45          1HG2      VAL  45   6.907   0.191   0.862
  312   2HG2  VAL  45          2HG2      VAL  45   7.869   0.577   2.307
  313   3HG2  VAL  45          3HG2      VAL  45   8.684   0.052   0.827
  314    H    MET  46           H        MET  46   6.867  -2.241   4.644
  315    HA   MET  46           HA       MET  46   6.951   0.243   6.103
  316   1HB   MET  46          1HB       MET  46   5.647  -0.958   7.926
  317   2HB   MET  46          2HB       MET  46   5.917  -2.476   7.089
  318   1HG   MET  46          1HG       MET  46   4.525  -0.129   5.669
  319   2HG   MET  46          2HG       MET  46   4.528  -1.838   5.206
  320   1HE   MET  46          1HE       MET  46   2.659  -3.340   8.538
  321   2HE   MET  46          2HE       MET  46   3.808  -3.743   7.228
  322   3HE   MET  46          3HE       MET  46   4.360  -2.785   8.633
  323    NH1  ARG  47           NH1      ARG  47  11.710  -7.615   9.862
  324    NH2  ARG  47           NH2      ARG  47  12.511  -8.501   7.930
  325    H    ARG  47           H        ARG  47   8.714  -2.774   6.556
  326    HA   ARG  47           HA       ARG  47   9.783  -2.278   9.266
  327   1HB   ARG  47          1HB       ARG  47  10.501  -4.234   7.030
  328   2HB   ARG  47          2HB       ARG  47  11.592  -4.031   8.393
  329   1HG   ARG  47          1HG       ARG  47   8.684  -4.475   9.105
  330   2HG   ARG  47          2HG       ARG  47  10.142  -4.996   9.951
  331   1HD   ARG  47          1HD       ARG  47   8.872  -6.271   7.457
  332   2HD   ARG  47          2HD       ARG  47   9.139  -7.014   9.032
  333    HE   ARG  47           HE       ARG  47  11.291  -6.506   6.948
  334   1HH1  ARG  47          1HH1      ARG  47  13.142  -9.041   8.532
  335   2HH1  ARG  47          2HH1      ARG  47  12.452  -8.544   6.907
  336   1HH2  ARG  47          1HH2      ARG  47  10.997  -7.033  10.317
  337   2HH2  ARG  47          2HH2      ARG  47  12.438  -8.171  10.327
  338    H    MET  48           H        MET  48  10.957  -1.673   5.973
  339    HA   MET  48           HA       MET  48  13.603  -0.565   6.899
  340   1HB   MET  48          1HB       MET  48  13.050  -0.072   4.053
  341   2HB   MET  48          2HB       MET  48  12.654  -1.732   4.458
  342   1HG   MET  48          1HG       MET  48  14.999  -1.996   5.486
  343   2HG   MET  48          2HG       MET  48  14.966  -1.718   3.737
  344   1HE   MET  48          1HE       MET  48  15.009   0.568   2.636
  345   2HE   MET  48          2HE       MET  48  16.100   1.877   3.179
  346   3HE   MET  48          3HE       MET  48  16.779   0.293   2.703
  347    H    LEU  49           H        LEU  49  10.676   0.682   7.218
  348    HA   LEU  49           HA       LEU  49  11.438   3.541   6.419
  349   1HB   LEU  49          1HB       LEU  49   8.729   2.223   6.994
  350   2HB   LEU  49          2HB       LEU  49   8.924   3.961   7.064
  351    HG   LEU  49           HG       LEU  49   9.245   2.134   4.612
  352   1HD1  LEU  49          1HD1      LEU  49   9.878   5.154   4.651
  353   2HD1  LEU  49          2HD1      LEU  49  11.108   3.877   4.617
  354   3HD1  LEU  49          3HD1      LEU  49   9.979   4.057   3.251
  355   1HD2  LEU  49          1HD2      LEU  49   7.390   3.434   3.650
  356   2HD2  LEU  49          2HD2      LEU  49   6.892   2.936   5.285
  357   3HD2  LEU  49          3HD2      LEU  49   7.425   4.598   4.998
  358    H    GLY  50           H        GLY  50  10.470   1.358   9.018
  359   1HA   GLY  50          1HA       GLY  50  11.994   2.065  11.175
  360   2HA   GLY  50          2HA       GLY  50  10.942   3.485  11.155
  361    H    GLN  51           H        GLN  51  10.305   0.023  10.583
  362    HA   GLN  51           HA       GLN  51   8.290  -0.047  12.900
  363   1HB   GLN  51          1HB       GLN  51   7.727  -1.175  10.093
  364   2HB   GLN  51          2HB       GLN  51   6.677  -1.277  11.495
  365   1HG   GLN  51          1HG       GLN  51   7.520   1.449  10.371
  366   2HG   GLN  51          2HG       GLN  51   6.193   0.552   9.662
  367   1HE2  GLN  51          1HE2      GLN  51   4.517   2.730  12.145
  368   2HE2  GLN  51          2HE2      GLN  51   5.385   2.849  10.533
  369    H    ASN  52           H        ASN  52   7.762  -2.261  13.516
  370    HA   ASN  52           HA       ASN  52  10.010  -4.251  12.994
  371   1HB   ASN  52          1HB       ASN  52  10.750  -4.225  15.111
  372   2HB   ASN  52          2HB       ASN  52   9.149  -4.407  15.794
  373   1HD2  ASN  52          1HD2      ASN  52   8.839  -0.757  16.278
  374   2HD2  ASN  52          2HD2      ASN  52   7.881  -2.294  15.986
  375    HA   PRO  53           HA       PRO  53   5.430  -6.126  13.389
  376   1HB   PRO  53          1HB       PRO  53   4.641  -6.418  10.764
  377   2HB   PRO  53          2HB       PRO  53   4.394  -4.943  11.712
  378   1HG   PRO  53          1HG       PRO  53   6.619  -5.501   9.689
  379   2HG   PRO  53          2HG       PRO  53   5.594  -4.052   9.816
  380   1HD   PRO  53          1HD       PRO  53   6.897  -3.177  11.620
  381   2HD   PRO  53          2HD       PRO  53   8.160  -4.231  10.914
  382    H    THR  54           H        THR  54   4.786  -8.312  12.407
  383    HA   THR  54           HA       THR  54   7.275 -10.078  12.291
  384    HB   THR  54           HB       THR  54   4.560 -11.232  12.963
  385    HG1  THR  54           HG1      THR  54   4.575  -9.636  14.364
  386   1HG2  THR  54          1HG2      THR  54   5.862 -12.757  14.412
  387   2HG2  THR  54          2HG2      THR  54   6.514 -12.800  12.757
  388   3HG2  THR  54          3HG2      THR  54   7.375 -11.898  14.031
  389    H    LYS  55           H        LYS  55   6.989 -12.111  11.043
  390    HA   LYS  55           HA       LYS  55   6.120 -11.581   8.250
  391   1HB   LYS  55          1HB       LYS  55   8.141 -13.009   8.942
  392   2HB   LYS  55          2HB       LYS  55   7.142 -13.631   7.646
  393   1HG   LYS  55          1HG       LYS  55   5.942 -15.030   9.578
  394   2HG   LYS  55          2HG       LYS  55   7.355 -14.625  10.533
  395   1HD   LYS  55          1HD       LYS  55   7.050 -16.714   8.492
  396   2HD   LYS  55          2HD       LYS  55   8.310 -15.605   7.976
  397   1HE   LYS  55          1HE       LYS  55   8.382 -16.676  10.840
  398   2HE   LYS  55          2HE       LYS  55   8.954 -17.692   9.516
  399   1HZ   LYS  55          1HZ       LYS  55  10.318 -15.536   8.929
  400   2HZ   LYS  55          2HZ       LYS  55  10.074 -15.161  10.520
  401   3HZ   LYS  55          3HZ       LYS  55  10.849 -16.562  10.111
  402    H    GLU  56           H        GLU  56   4.924 -13.402  11.023
  403    HA   GLU  56           HA       GLU  56   2.828 -14.967   9.727
  404   1HB   GLU  56          1HB       GLU  56   2.469 -14.052  12.593
  405   2HB   GLU  56          2HB       GLU  56   3.863 -15.041  12.207
  406   1HG   GLU  56          1HG       GLU  56   1.831 -16.332  13.051
  407   2HG   GLU  56          2HG       GLU  56   0.946 -15.859  11.611
  408    H    GLU  57           H        GLU  57   2.967 -11.684  10.996
  409    HA   GLU  57           HA       GLU  57   0.060 -11.071  10.880
  410   1HB   GLU  57          1HB       GLU  57   2.343  -9.033  10.869
  411   2HB   GLU  57          2HB       GLU  57   0.661  -8.739  11.263
  412   1HG   GLU  57          1HG       GLU  57   2.767 -10.224  12.925
  413   2HG   GLU  57          2HG       GLU  57   1.063 -10.525  13.222
  414    H    LEU  58           H        LEU  58   2.844 -10.784   8.727
  415    HA   LEU  58           HA       LEU  58   1.660  -9.153   6.580
  416   1HB   LEU  58          1HB       LEU  58   4.096  -9.471   6.730
  417   2HB   LEU  58          2HB       LEU  58   3.945 -11.204   6.536
  418    HG   LEU  58           HG       LEU  58   3.007  -9.293   4.322
  419   1HD1  LEU  58          1HD1      LEU  58   4.033 -12.194   4.115
  420   2HD1  LEU  58          2HD1      LEU  58   2.320 -11.772   4.249
  421   3HD1  LEU  58          3HD1      LEU  58   3.255 -11.228   2.835
  422   1HD2  LEU  58          1HD2      LEU  58   5.224  -9.432   3.241
  423   2HD2  LEU  58          2HD2      LEU  58   5.447  -8.785   4.885
  424   3HD2  LEU  58          3HD2      LEU  58   5.849 -10.478   4.541
  425    H    ASP  59           H        ASP  59   1.673 -12.583   7.390
  426    HA   ASP  59           HA       ASP  59   0.451 -13.630   4.936
  427   1HB   ASP  59          1HB       ASP  59   1.018 -14.759   7.664
  428   2HB   ASP  59          2HB       ASP  59  -0.318 -15.502   6.815
  429    H    ALA  60           H        ALA  60  -0.821 -12.321   7.954
  430    HA   ALA  60           HA       ALA  60  -3.655 -12.979   7.622
  431   1HB   ALA  60          1HB       ALA  60  -4.066 -11.229   9.345
  432   2HB   ALA  60          2HB       ALA  60  -2.719 -12.287   9.806
  433   3HB   ALA  60          3HB       ALA  60  -2.391 -10.645   9.197
  434    H    ILE  61           H        ILE  61  -1.703 -10.138   6.702
  435    HA   ILE  61           HA       ILE  61  -3.630  -8.336   5.703
  436    HB   ILE  61           HB       ILE  61  -0.806  -8.843   4.669
  437   1HG1  ILE  61          1HG1      ILE  61  -0.584  -7.828   6.809
  438   2HG1  ILE  61          2HG1      ILE  61  -2.047  -6.880   6.649
  439   1HG2  ILE  61          1HG2      ILE  61  -0.956  -6.718   3.344
  440   2HG2  ILE  61          2HG2      ILE  61  -2.116  -7.905   2.750
  441   3HG2  ILE  61          3HG2      ILE  61  -2.680  -6.557   3.764
  442   1HD1  ILE  61          1HD1      ILE  61  -0.980  -5.271   5.093
  443   2HD1  ILE  61          2HD1      ILE  61  -0.023  -5.438   6.581
  444   3HD1  ILE  61          3HD1      ILE  61   0.521  -6.238   5.088
  445    H    ILE  62           H        ILE  62  -2.371 -11.315   4.326
  446    HA   ILE  62           HA       ILE  62  -3.462 -11.031   1.589
  447    HB   ILE  62           HB       ILE  62  -2.032 -13.157   3.102
  448   1HG1  ILE  62          1HG1      ILE  62  -0.932 -11.671   1.350
  449   2HG1  ILE  62          2HG1      ILE  62  -1.972 -12.355   0.119
  450   1HG2  ILE  62          1HG2      ILE  62  -2.707 -15.052   1.605
  451   2HG2  ILE  62          2HG2      ILE  62  -4.093 -14.476   2.530
  452   3HG2  ILE  62          3HG2      ILE  62  -3.928 -14.022   0.819
  453   1HD1  ILE  62          1HD1      ILE  62  -0.964 -14.608   0.345
  454   2HD1  ILE  62          2HD1      ILE  62   0.292 -13.383   0.070
  455   3HD1  ILE  62          3HD1      ILE  62   0.049 -14.044   1.703
  456    H    GLU  63           H        GLU  63  -4.513 -12.705   4.552
  457    HA   GLU  63           HA       GLU  63  -6.908 -13.974   3.519
  458   1HB   GLU  63          1HB       GLU  63  -6.444 -13.060   6.407
  459   2HB   GLU  63          2HB       GLU  63  -5.796 -14.529   5.706
  460   1HG   GLU  63          1HG       GLU  63  -8.809 -14.178   5.515
  461   2HG   GLU  63          2HG       GLU  63  -8.149 -14.407   7.126
  462    H    GLU  64           H        GLU  64  -6.294 -10.695   4.614
  463    HA   GLU  64           HA       GLU  64  -9.221  -9.956   4.726
  464   1HB   GLU  64          1HB       GLU  64  -6.820  -8.130   5.256
  465   2HB   GLU  64          2HB       GLU  64  -7.502  -9.204   6.463
  466   1HG   GLU  64          1HG       GLU  64  -8.289  -6.782   6.617
  467   2HG   GLU  64          2HG       GLU  64  -9.083  -6.952   5.061
  468    H    VAL  65           H        VAL  65  -6.476  -9.663   2.591
  469    HA   VAL  65           HA       VAL  65  -7.998  -7.740   0.747
  470    HB   VAL  65           HB       VAL  65  -5.638  -7.142   2.000
  471   1HG1  VAL  65          1HG1      VAL  65  -6.384  -6.010  -0.776
  472   2HG1  VAL  65          2HG1      VAL  65  -7.248  -5.598   0.717
  473   3HG1  VAL  65          3HG1      VAL  65  -5.527  -5.175   0.544
  474   1HG2  VAL  65          1HG2      VAL  65  -3.721  -7.204   0.486
  475   2HG2  VAL  65          2HG2      VAL  65  -4.345  -8.869   0.576
  476   3HG2  VAL  65          3HG2      VAL  65  -4.694  -7.875  -0.846
  477    H    ASP  66           H        ASP  66  -7.787 -10.799   1.011
  478    HA   ASP  66           HA       ASP  66  -7.620 -11.413  -1.918
  479   1HB   ASP  66          1HB       ASP  66  -5.643 -12.997  -0.219
  480   2HB   ASP  66          2HB       ASP  66  -5.169 -11.455  -0.894
  481    H    GLU  67           H        GLU  67  -9.575 -11.469   0.143
  482    HA   GLU  67           HA       GLU  67 -10.287 -14.038   1.247
  483   1HB   GLU  67          1HB       GLU  67 -11.791 -12.450   1.928
  484   2HB   GLU  67          2HB       GLU  67 -11.884 -11.656   0.368
  485   1HG   GLU  67          1HG       GLU  67 -13.618 -13.046  -0.414
  486   2HG   GLU  67          2HG       GLU  67 -13.095 -14.437   0.520
  487    H    ASP  68           H        ASP  68 -11.873 -12.849  -1.706
  488    HA   ASP  68           HA       ASP  68 -12.127 -15.636  -2.800
  489   1HB   ASP  68          1HB       ASP  68 -13.166 -12.994  -3.976
  490   2HB   ASP  68          2HB       ASP  68 -14.059 -14.052  -2.908
  491    H    GLY  69           H        GLY  69 -11.047 -12.540  -4.261
  492   1HA   GLY  69          1HA       GLY  69  -8.387 -13.413  -5.169
  493   2HA   GLY  69          2HA       GLY  69  -9.548 -13.753  -6.458
  494    H    SER  70           H        SER  70  -7.340 -11.798  -6.248
  495    HA   SER  70           HA       SER  70  -8.536  -9.553  -7.717
  496   1HB   SER  70          1HB       SER  70  -9.476  -8.671  -5.744
  497   2HB   SER  70          2HB       SER  70  -8.008  -7.719  -5.978
  498    HG   SER  70           HG       SER  70  -6.987  -8.908  -4.429
  499    H    GLY  71           H        GLY  71  -6.787  -7.601  -7.547
  500   1HA   GLY  71          1HA       GLY  71  -4.641  -7.038  -8.604
  501   2HA   GLY  71          2HA       GLY  71  -4.253  -8.761  -8.642
  502    H    THR  72           H        THR  72  -2.432  -6.810  -7.912
  503    HA   THR  72           HA       THR  72  -1.638  -7.696  -5.150
  504    HB   THR  72           HB       THR  72   0.532  -6.753  -5.490
  505    HG1  THR  72           HG1      THR  72   1.025  -5.552  -7.277
  506   1HG2  THR  72          1HG2      THR  72  -0.445  -8.365  -7.889
  507   2HG2  THR  72          2HG2      THR  72   1.200  -7.691  -7.894
  508   3HG2  THR  72          3HG2      THR  72   0.706  -8.833  -6.617
  509    H    ILE  73           H        ILE  73  -0.174  -5.245  -4.551
  510    HA   ILE  73           HA       ILE  73  -2.520  -3.677  -3.431
  511    HB   ILE  73           HB       ILE  73  -0.612  -4.880  -1.973
  512   1HG1  ILE  73          1HG1      ILE  73  -2.813  -3.350  -1.437
  513   2HG1  ILE  73          2HG1      ILE  73  -1.772  -4.066  -0.219
  514   1HG2  ILE  73          1HG2      ILE  73   1.077  -3.345  -1.036
  515   2HG2  ILE  73          2HG2      ILE  73   1.312  -3.453  -2.786
  516   3HG2  ILE  73          3HG2      ILE  73   0.532  -2.015  -2.084
  517   1HD1  ILE  73          1HD1      ILE  73  -2.054  -1.794   0.506
  518   2HD1  ILE  73          2HD1      ILE  73  -0.420  -1.842  -0.190
  519   3HD1  ILE  73          3HD1      ILE  73  -1.758  -1.134  -1.126
  520    H    ASP  74           H        ASP  74  -2.740  -1.554  -3.770
  521    HA   ASP  74           HA       ASP  74  -0.838  -0.187  -5.726
  522   1HB   ASP  74          1HB       ASP  74  -3.173   1.398  -5.419
  523   2HB   ASP  74          2HB       ASP  74  -3.678  -0.302  -5.642
  524    H    PHE  75           H        PHE  75  -1.134   2.373  -5.335
  525    HA   PHE  75           HA       PHE  75   0.389   2.878  -2.809
  526   1HB   PHE  75          1HB       PHE  75   1.081   3.909  -4.976
  527   2HB   PHE  75          2HB       PHE  75  -0.417   4.796  -5.079
  528    HD1  PHE  75           HD1      PHE  75  -0.687   6.912  -3.852
  529    HD2  PHE  75           HD2      PHE  75   2.744   4.436  -3.067
  530    HE1  PHE  75           HE1      PHE  75   0.409   8.782  -2.686
  531    HE2  PHE  75           HE2      PHE  75   3.780   6.289  -1.817
  532    HZ   PHE  75           HZ       PHE  75   2.616   8.458  -1.620
  533    H    GLU  76           H        GLU  76  -2.801   3.502  -4.157
  534    HA   GLU  76           HA       GLU  76  -3.822   5.431  -2.193
  535   1HB   GLU  76          1HB       GLU  76  -5.716   5.420  -3.379
  536   2HB   GLU  76          2HB       GLU  76  -5.956   3.694  -3.193
  537   1HG   GLU  76          1HG       GLU  76  -4.462   3.244  -5.173
  538   2HG   GLU  76          2HG       GLU  76  -4.123   4.959  -5.331
  539    H    GLU  77           H        GLU  77  -4.015   1.883  -2.439
  540    HA   GLU  77           HA       GLU  77  -5.464   1.416   0.106
  541   1HB   GLU  77          1HB       GLU  77  -3.715  -0.717  -1.169
  542   2HB   GLU  77          2HB       GLU  77  -5.151  -0.167  -2.011
  543   1HG   GLU  77          1HG       GLU  77  -4.932  -1.758   0.573
  544   2HG   GLU  77          2HG       GLU  77  -6.309  -0.679   0.424
  545    H    PHE  78           H        PHE  78  -2.106   1.741  -0.878
  546    HA   PHE  78           HA       PHE  78  -0.730   0.727   1.462
  547   1HB   PHE  78          1HB       PHE  78   0.278   1.449  -0.819
  548   2HB   PHE  78          2HB       PHE  78   0.265   3.091  -0.232
  549    HD1  PHE  78           HD1      PHE  78   0.956   0.227   2.094
  550    HD2  PHE  78           HD2      PHE  78   2.730   3.289  -0.353
  551    HE1  PHE  78           HE1      PHE  78   3.135  -0.156   3.176
  552    HE2  PHE  78           HE2      PHE  78   4.904   2.878   0.725
  553    HZ   PHE  78           HZ       PHE  78   5.112   1.157   2.486
  554    H    LEU  79           H        LEU  79  -2.167   3.881   0.733
  555    HA   LEU  79           HA       LEU  79  -1.251   5.303   3.159
  556   1HB   LEU  79          1HB       LEU  79  -3.690   6.009   1.427
  557   2HB   LEU  79          2HB       LEU  79  -2.852   7.070   2.538
  558    HG   LEU  79           HG       LEU  79  -1.104   5.921   0.368
  559   1HD1  LEU  79          1HD1      LEU  79  -1.976   7.443  -1.412
  560   2HD1  LEU  79          2HD1      LEU  79  -3.214   6.264  -0.938
  561   3HD1  LEU  79          3HD1      LEU  79  -3.324   7.945  -0.360
  562   1HD2  LEU  79          1HD2      LEU  79  -1.509   8.795   1.436
  563   2HD2  LEU  79          2HD2      LEU  79  -0.215   7.669   1.915
  564   3HD2  LEU  79          3HD2      LEU  79  -0.269   8.292   0.259
  565    H    VAL  80           H        VAL  80  -4.040   3.340   2.287
  566    HA   VAL  80           HA       VAL  80  -5.789   4.046   4.542
  567    HB   VAL  80           HB       VAL  80  -5.847   1.875   2.444
  568   1HG1  VAL  80          1HG1      VAL  80  -8.064   3.829   3.322
  569   2HG1  VAL  80          2HG1      VAL  80  -6.856   4.230   2.095
  570   3HG1  VAL  80          3HG1      VAL  80  -7.976   2.876   1.818
  571   1HG2  VAL  80          1HG2      VAL  80  -7.813   0.750   3.384
  572   2HG2  VAL  80          2HG2      VAL  80  -6.531   0.671   4.615
  573   3HG2  VAL  80          3HG2      VAL  80  -7.850   1.839   4.792
  574    H    MET  81           H        MET  81  -3.289   1.621   3.985
  575    HA   MET  81           HA       MET  81  -3.835  -0.027   6.411
  576   1HB   MET  81          1HB       MET  81  -2.266  -1.501   5.635
  577   2HB   MET  81          2HB       MET  81  -2.594  -0.672   4.124
  578   1HG   MET  81          1HG       MET  81  -0.281   0.278   5.908
  579   2HG   MET  81          2HG       MET  81  -0.523   0.552   4.175
  580   1HE   MET  81          1HE       MET  81   0.724  -3.430   6.228
  581   2HE   MET  81          2HE       MET  81  -0.185  -2.071   6.953
  582   3HE   MET  81          3HE       MET  81  -1.033  -3.259   5.922
  583    H    MET  82           H        MET  82  -1.719   2.642   5.504
  584    HA   MET  82           HA       MET  82   0.144   2.587   7.755
  585   1HB   MET  82          1HB       MET  82   0.660   4.983   7.189
  586   2HB   MET  82          2HB       MET  82  -0.698   5.020   6.080
  587   1HG   MET  82          1HG       MET  82   0.862   4.473   4.478
  588   2HG   MET  82          2HG       MET  82   0.700   2.815   5.080
  589   1HE   MET  82          1HE       MET  82   4.389   2.313   5.098
  590   2HE   MET  82          2HE       MET  82   3.067   1.463   5.952
  591   3HE   MET  82          3HE       MET  82   2.811   2.062   4.286
  592    H    VAL  83           H        VAL  83  -2.643   4.758   7.159
  593    HA   VAL  83           HA       VAL  83  -2.849   6.085   9.664
  594    HB   VAL  83           HB       VAL  83  -4.857   5.455   7.525
  595   1HG1  VAL  83          1HG1      VAL  83  -6.772   6.447   8.791
  596   2HG1  VAL  83          2HG1      VAL  83  -6.242   4.938   9.546
  597   3HG1  VAL  83          3HG1      VAL  83  -5.793   6.496  10.279
  598   1HG2  VAL  83          1HG2      VAL  83  -4.123   8.097   8.954
  599   2HG2  VAL  83          2HG2      VAL  83  -3.499   7.560   7.377
  600   3HG2  VAL  83          3HG2      VAL  83  -5.219   7.931   7.558
  601    NH1  ARG  84           NH1      ARG  84  -9.598  -0.972   9.112
  602    NH2  ARG  84           NH2      ARG  84  -8.651  -1.488   7.112
  603    H    ARG  84           H        ARG  84  -3.801   2.813   8.790
  604    HA   ARG  84           HA       ARG  84  -5.408   2.013  11.080
  605   1HB   ARG  84          1HB       ARG  84  -4.640   0.723   8.794
  606   2HB   ARG  84          2HB       ARG  84  -3.491  -0.007   9.907
  607   1HG   ARG  84          1HG       ARG  84  -5.368  -1.487   9.891
  608   2HG   ARG  84          2HG       ARG  84  -5.430  -0.660  11.449
  609   1HD   ARG  84          1HD       ARG  84  -7.689  -0.519  10.767
  610   2HD   ARG  84          2HD       ARG  84  -7.078   1.053  10.257
  611    HE   ARG  84           HE       ARG  84  -6.803  -0.044   7.875
  612   1HH1  ARG  84          1HH1      ARG  84 -10.448  -1.402   8.730
  613   2HH1  ARG  84          2HH1      ARG  84  -9.482  -0.561  10.044
  614   1HH2  ARG  84          1HH2      ARG  84  -7.838  -1.408   6.491
  615   2HH2  ARG  84          2HH2      ARG  84  -9.545  -1.944   6.897
  616    H    GLN  85           H        GLN  85  -1.928   1.326  10.534
  617    HA   GLN  85           HA       GLN  85  -1.368   0.179  13.145
  618   1HB   GLN  85          1HB       GLN  85   0.908   1.631  11.807
  619   2HB   GLN  85          2HB       GLN  85   0.069   0.456  10.811
  620   1HG   GLN  85          1HG       GLN  85   0.555  -1.378  12.351
  621   2HG   GLN  85          2HG       GLN  85   1.115  -0.289  13.603
  622   1HE2  GLN  85          1HE2      GLN  85   4.090  -1.777  11.715
  623   2HE2  GLN  85          2HE2      GLN  85   2.659  -2.422  12.665
  624    H    MET  86           H        MET  86  -0.717   3.465  11.908
  625    HA   MET  86           HA       MET  86   0.615   4.711  14.060
  626   1HB   MET  86          1HB       MET  86  -1.233   5.772  11.923
  627   2HB   MET  86          2HB       MET  86  -0.957   6.827  13.297
  628   1HG   MET  86          1HG       MET  86   1.517   6.772  12.912
  629   2HG   MET  86          2HG       MET  86   1.308   5.610  11.592
  630   1HE   MET  86          1HE       MET  86   2.416   8.291   9.516
  631   2HE   MET  86          2HE       MET  86   2.382   9.355  10.953
  632   3HE   MET  86          3HE       MET  86   2.948   7.666  11.109
  633    H    LYS  87           H        LYS  87  -2.843   4.052  13.751
  634    HA   LYS  87           HA       LYS  87  -3.832   5.523  16.103
  635   1HB   LYS  87          1HB       LYS  87  -5.556   4.876  14.637
  636   2HB   LYS  87          2HB       LYS  87  -4.949   3.249  14.416
  637   1HG   LYS  87          1HG       LYS  87  -6.439   2.499  15.933
  638   2HG   LYS  87          2HG       LYS  87  -5.620   3.395  17.196
  639   1HD   LYS  87          1HD       LYS  87  -7.206   5.408  16.005
  640   2HD   LYS  87          2HD       LYS  87  -8.195   3.973  15.788
  641   1HE   LYS  87          1HE       LYS  87  -8.529   3.618  18.096
  642   2HE   LYS  87          2HE       LYS  87  -7.043   4.441  18.575
  643   1HZ   LYS  87          1HZ       LYS  87  -8.088   6.444  18.558
  644   2HZ   LYS  87          2HZ       LYS  87  -9.035   6.115  17.244
  645   3HZ   LYS  87          3HZ       LYS  87  -9.462   5.543  18.734
  646    H    GLU  88           H        GLU  88  -3.096   2.044  15.629
  647    HA   GLU  88           HA       GLU  88  -2.490   0.292  17.157
  648   1HB   GLU  88          1HB       GLU  88  -0.654   2.394  17.429
  649   2HB   GLU  88          2HB       GLU  88  -1.107   2.071  19.091
  650   1HG   GLU  88          1HG       GLU  88  -0.647  -0.534  18.125
  651   2HG   GLU  88          2HG       GLU  88   0.502   0.400  17.184
  652    H    ASP  89           H        ASP  89  -4.588  -0.129  17.810
  653    HA   ASP  89           HA       ASP  89  -5.665   1.124  20.358
  654   1HB   ASP  89          1HB       ASP  89  -7.775   0.138  19.923
  655   2HB   ASP  89          2HB       ASP  89  -7.209   0.740  18.383
  656    H    ALA  90           H        ALA  90  -4.712   0.381  22.094
  657    HA   ALA  90           HA       ALA  90  -3.938  -1.099  23.835
  658   1HB   ALA  90          1HB       ALA  90  -6.092  -2.178  23.894
  659   2HB   ALA  90          2HB       ALA  90  -5.869  -2.947  22.310
  660   3HB   ALA  90          3HB       ALA  90  -4.950  -3.534  23.718
   
  Start of MODEL          38
 Raw file had  660 H/Q atoms
  Start of MODEL   38
    1   1H    ALA   1          1H        ALA   1 -21.558   7.704   9.549
    2   2H    ALA   1          2H        ALA   1 -20.201   7.264  10.439
    3   3H    ALA   1          3H        ALA   1 -20.023   8.121   9.003
    4    HA   ALA   1           HA       ALA   1 -19.705   5.514   9.213
    5   1HB   ALA   1          1HB       ALA   1 -21.781   4.637   9.717
    6   2HB   ALA   1          2HB       ALA   1 -22.672   6.033   9.083
    7   3HB   ALA   1          3HB       ALA   1 -22.071   4.780   7.967
    8    H    SER   2           H        SER   2 -18.214   6.543   7.784
    9    HA   SER   2           HA       SER   2 -19.149   6.693   4.866
   10   1HB   SER   2          1HB       SER   2 -17.337   8.549   4.601
   11   2HB   SER   2          2HB       SER   2 -18.893   8.976   5.318
   12    HG   SER   2           HG       SER   2 -16.853   9.640   6.380
   13    H    MET   3           H        MET   3 -18.283   4.362   5.714
   14    HA   MET   3           HA       MET   3 -15.320   3.947   5.547
   15   1HB   MET   3          1HB       MET   3 -17.643   2.283   6.236
   16   2HB   MET   3          2HB       MET   3 -15.953   2.143   6.696
   17   1HG   MET   3          1HG       MET   3 -15.760   1.156   4.124
   18   2HG   MET   3          2HG       MET   3 -16.065   0.154   5.551
   19   1HE   MET   3          1HE       MET   3 -17.384  -1.729   3.591
   20   2HE   MET   3          2HE       MET   3 -17.508  -1.591   5.369
   21   3HE   MET   3          3HE       MET   3 -18.991  -1.753   4.383
   22    H    THR   4           H        THR   4 -18.091   3.940   3.396
   23    HA   THR   4           HA       THR   4 -16.887   2.824   0.974
   24    HB   THR   4           HB       THR   4 -19.385   3.518   1.458
   25    HG1  THR   4           HG1      THR   4 -19.713   3.278  -0.649
   26   1HG2  THR   4          1HG2      THR   4 -20.162   5.531   0.264
   27   2HG2  THR   4          2HG2      THR   4 -19.106   6.024   1.606
   28   3HG2  THR   4          3HG2      THR   4 -18.498   6.055  -0.069
   29    H    ASP   5           H        ASP   5 -16.105   5.595   2.811
   30    HA   ASP   5           HA       ASP   5 -14.297   6.624   0.577
   31   1HB   ASP   5          1HB       ASP   5 -16.592   8.045   1.435
   32   2HB   ASP   5          2HB       ASP   5 -15.285   8.821   2.300
   33    H    GLN   6           H        GLN   6 -13.534   4.854   2.487
   34    HA   GLN   6           HA       GLN   6 -12.031   6.288   4.697
   35   1HB   GLN   6          1HB       GLN   6 -11.095   3.987   5.206
   36   2HB   GLN   6          2HB       GLN   6 -12.834   4.158   5.371
   37   1HG   GLN   6          1HG       GLN   6 -13.137   2.352   4.059
   38   2HG   GLN   6          2HG       GLN   6 -12.499   3.235   2.688
   39   1HE2  GLN   6          1HE2      GLN   6  -9.876   0.713   4.746
   40   2HE2  GLN   6          2HE2      GLN   6 -11.056   1.774   5.668
   41    H    GLN   7           H        GLN   7 -11.526   4.787   1.545
   42    HA   GLN   7           HA       GLN   7  -8.672   4.657   1.299
   43   1HB   GLN   7          1HB       GLN   7 -10.840   5.228  -0.776
   44   2HB   GLN   7          2HB       GLN   7  -9.147   5.341  -1.222
   45   1HG   GLN   7          1HG       GLN   7  -8.727   3.000  -0.771
   46   2HG   GLN   7          2HG       GLN   7 -10.221   2.800   0.121
   47   1HE2  GLN   7          1HE2      GLN   7 -10.799   3.309  -3.977
   48   2HE2  GLN   7          2HE2      GLN   7  -9.629   4.386  -3.062
   49    H    ALA   8           H        ALA   8 -10.846   7.434   0.719
   50    HA   ALA   8           HA       ALA   8  -8.654   9.312  -0.045
   51   1HB   ALA   8          1HB       ALA   8 -10.699  11.013   0.200
   52   2HB   ALA   8          2HB       ALA   8 -10.623   9.873  -1.158
   53   3HB   ALA   8          3HB       ALA   8 -11.680   9.529   0.234
   54    H    GLU   9           H        GLU   9 -10.489   8.505   2.846
   55    HA   GLU   9           HA       GLU   9  -9.850  10.709   4.625
   56   1HB   GLU   9          1HB       GLU   9 -11.326   8.461   4.949
   57   2HB   GLU   9          2HB       GLU   9  -9.884   7.920   5.784
   58   1HG   GLU   9          1HG       GLU   9 -11.138  10.623   6.522
   59   2HG   GLU   9          2HG       GLU   9 -10.069   9.621   7.488
   60    H    ALA  10           H        ALA  10  -7.994   7.921   3.531
   61    HA   ALA  10           HA       ALA  10  -5.850   7.789   5.430
   62   1HB   ALA  10          1HB       ALA  10  -4.519   6.675   3.645
   63   2HB   ALA  10          2HB       ALA  10  -6.187   6.071   3.681
   64   3HB   ALA  10          3HB       ALA  10  -5.680   7.207   2.405
   65    NH1  ARG  11           NH1      ARG  11  -6.885  15.759  -0.776
   66    NH2  ARG  11           NH2      ARG  11  -8.953  14.845  -0.556
   67    H    ARG  11           H        ARG  11  -5.751   9.442   2.252
   68    HA   ARG  11           HA       ARG  11  -3.148  10.788   2.672
   69   1HB   ARG  11          1HB       ARG  11  -4.040  10.263   0.391
   70   2HB   ARG  11          2HB       ARG  11  -3.539  11.936   0.591
   71   1HG   ARG  11          1HG       ARG  11  -5.916  11.204  -0.561
   72   2HG   ARG  11          2HG       ARG  11  -6.473  11.396   1.103
   73   1HD   ARG  11          1HD       ARG  11  -5.044  13.722   0.935
   74   2HD   ARG  11          2HD       ARG  11  -5.352  13.512  -0.787
   75    HE   ARG  11           HE       ARG  11  -7.736  13.373   1.101
   76   1HH1  ARG  11          1HH1      ARG  11  -9.292  15.697  -1.017
   77   2HH1  ARG  11          2HH1      ARG  11  -9.516  14.041  -0.259
   78   1HH2  ARG  11          1HH2      ARG  11  -5.871  15.638  -0.678
   79   2HH2  ARG  11          2HH2      ARG  11  -7.371  16.565  -1.185
   80    H    ALA  12           H        ALA  12  -6.546  11.707   3.039
   81    HA   ALA  12           HA       ALA  12  -6.472  14.512   3.492
   82   1HB   ALA  12          1HB       ALA  12  -8.481  14.251   4.935
   83   2HB   ALA  12          2HB       ALA  12  -8.590  13.227   3.489
   84   3HB   ALA  12          3HB       ALA  12  -8.197  12.498   5.066
   85    H    PHE  13           H        PHE  13  -5.447  11.901   5.633
   86    HA   PHE  13           HA       PHE  13  -5.218  13.499   8.118
   87   1HB   PHE  13          1HB       PHE  13  -4.102  10.731   7.381
   88   2HB   PHE  13          2HB       PHE  13  -5.598  11.059   8.214
   89    HD1  PHE  13           HD1      PHE  13  -4.651  13.199  10.216
   90    HD2  PHE  13           HD2      PHE  13  -2.828   9.501   8.978
   91    HE1  PHE  13           HE1      PHE  13  -3.413  13.085  12.340
   92    HE2  PHE  13           HE2      PHE  13  -1.600   9.406  11.108
   93    HZ   PHE  13           HZ       PHE  13  -1.904  11.182  12.799
   94    H    LEU  14           H        LEU  14  -2.849  12.105   5.832
   95    HA   LEU  14           HA       LEU  14  -0.508  13.533   7.024
   96   1HB   LEU  14          1HB       LEU  14  -0.504  12.114   4.311
   97   2HB   LEU  14          2HB       LEU  14   0.853  12.425   5.371
   98    HG   LEU  14           HG       LEU  14  -1.446  10.481   6.033
   99   1HD1  LEU  14          1HD1      LEU  14   1.263  10.808   7.473
  100   2HD1  LEU  14          2HD1      LEU  14  -0.268  11.482   8.063
  101   3HD1  LEU  14          3HD1      LEU  14  -0.069   9.716   7.933
  102   1HD2  LEU  14          1HD2      LEU  14   0.076   8.632   5.471
  103   2HD2  LEU  14          2HD2      LEU  14   0.037   9.731   4.070
  104   3HD2  LEU  14          3HD2      LEU  14   1.426   9.756   5.167
  105    H    SER  15           H        SER  15   0.859  14.948   5.727
  106    HA   SER  15           HA       SER  15  -0.663  17.251   4.655
  107   1HB   SER  15          1HB       SER  15   1.588  18.324   4.388
  108   2HB   SER  15          2HB       SER  15   2.370  16.798   4.808
  109    HG   SER  15           HG       SER  15   0.650  17.088   6.682
  110    H    GLU  16           H        GLU  16   0.593  18.309   2.616
  111    HA   GLU  16           HA       GLU  16  -0.071  16.560   0.266
  112   1HB   GLU  16          1HB       GLU  16  -0.591  19.143   0.627
  113   2HB   GLU  16          2HB       GLU  16   1.021  19.382  -0.017
  114   1HG   GLU  16          1HG       GLU  16   0.439  18.597  -2.188
  115   2HG   GLU  16          2HG       GLU  16  -0.987  19.486  -1.678
  116    H    GLU  17           H        GLU  17   2.731  18.019   1.810
  117    HA   GLU  17           HA       GLU  17   4.689  17.251  -0.347
  118   1HB   GLU  17          1HB       GLU  17   5.336  18.347   2.438
  119   2HB   GLU  17          2HB       GLU  17   6.439  18.203   1.083
  120   1HG   GLU  17          1HG       GLU  17   4.006  20.093   1.264
  121   2HG   GLU  17          2HG       GLU  17   5.698  20.549   1.369
  122    H    MET  18           H        MET  18   3.586  16.130   2.805
  123    HA   MET  18           HA       MET  18   5.550  14.151   3.535
  124   1HB   MET  18          1HB       MET  18   2.548  13.679   3.928
  125   2HB   MET  18          2HB       MET  18   3.417  14.899   4.841
  126   1HG   MET  18          1HG       MET  18   4.551  12.064   4.845
  127   2HG   MET  18          2HG       MET  18   3.096  12.404   5.795
  128   1HE   MET  18          1HE       MET  18   5.050  12.045   8.474
  129   2HE   MET  18          2HE       MET  18   5.416  11.259   6.909
  130   3HE   MET  18          3HE       MET  18   6.664  12.247   7.723
  131    H    ILE  19           H        ILE  19   2.704  13.874   1.408
  132    HA   ILE  19           HA       ILE  19   2.892  11.124   0.564
  133    HB   ILE  19           HB       ILE  19   1.739  13.593  -0.721
  134   1HG1  ILE  19          1HG1      ILE  19  -0.354  12.185  -0.799
  135   2HG1  ILE  19          2HG1      ILE  19   0.525  10.803  -0.181
  136   1HG2  ILE  19          1HG2      ILE  19   1.132  12.391  -2.833
  137   2HG2  ILE  19          2HG2      ILE  19   2.884  12.509  -2.679
  138   3HG2  ILE  19          3HG2      ILE  19   2.072  10.968  -2.320
  139   1HD1  ILE  19          1HD1      ILE  19   0.000  13.373   1.424
  140   2HD1  ILE  19          2HD1      ILE  19  -0.738  11.775   1.655
  141   3HD1  ILE  19          3HD1      ILE  19   0.994  12.004   1.992
  142    H    ALA  20           H        ALA  20   4.404  14.032  -0.874
  143    HA   ALA  20           HA       ALA  20   5.817  12.972  -3.073
  144   1HB   ALA  20          1HB       ALA  20   7.325  14.983  -1.385
  145   2HB   ALA  20          2HB       ALA  20   7.012  14.967  -3.131
  146   3HB   ALA  20          3HB       ALA  20   5.723  15.451  -2.000
  147    H    GLU  21           H        GLU  21   6.718  12.824   0.350
  148    HA   GLU  21           HA       GLU  21   9.454  11.743  -0.078
  149   1HB   GLU  21          1HB       GLU  21   9.822  12.135   2.103
  150   2HB   GLU  21          2HB       GLU  21   8.353  13.084   1.996
  151   1HG   GLU  21          1HG       GLU  21   8.646  10.241   3.146
  152   2HG   GLU  21          2HG       GLU  21   7.072  10.939   2.801
  153    H    PHE  22           H        PHE  22   6.290  10.429   0.846
  154    HA   PHE  22           HA       PHE  22   7.083   7.728   1.585
  155   1HB   PHE  22          1HB       PHE  22   4.449   8.977   0.726
  156   2HB   PHE  22          2HB       PHE  22   4.548   7.236   0.740
  157    HD1  PHE  22           HD1      PHE  22   6.698   7.391   3.241
  158    HD2  PHE  22           HD2      PHE  22   2.700   8.826   2.541
  159    HE1  PHE  22           HE1      PHE  22   6.360   7.664   5.662
  160    HE2  PHE  22           HE2      PHE  22   2.379   9.082   4.967
  161    HZ   PHE  22           HZ       PHE  22   4.198   8.489   6.531
  162    H    LYS  23           H        LYS  23   6.406   9.268  -1.501
  163    HA   LYS  23           HA       LYS  23   6.053   6.921  -3.210
  164   1HB   LYS  23          1HB       LYS  23   7.366   9.304  -4.489
  165   2HB   LYS  23          2HB       LYS  23   5.987   8.363  -5.018
  166   1HG   LYS  23          1HG       LYS  23   4.811   9.585  -2.881
  167   2HG   LYS  23          2HG       LYS  23   6.092  10.753  -3.142
  168   1HD   LYS  23          1HD       LYS  23   3.723  10.073  -4.942
  169   2HD   LYS  23          2HD       LYS  23   4.298  11.634  -4.380
  170   1HE   LYS  23          1HE       LYS  23   5.017  11.815  -6.571
  171   2HE   LYS  23          2HE       LYS  23   6.468  11.057  -5.910
  172   1HZ   LYS  23          1HZ       LYS  23   5.126  10.105  -8.003
  173   2HZ   LYS  23          2HZ       LYS  23   6.027   9.135  -7.015
  174   3HZ   LYS  23          3HZ       LYS  23   4.389   9.216  -6.822
  175    H    ALA  24           H        ALA  24   8.900   8.825  -2.257
  176    HA   ALA  24           HA       ALA  24  10.946   7.824  -3.968
  177   1HB   ALA  24          1HB       ALA  24  12.577   8.421  -2.187
  178   2HB   ALA  24          2HB       ALA  24  11.335   9.675  -2.365
  179   3HB   ALA  24          3HB       ALA  24  11.269   8.547  -0.986
  180    H    ALA  25           H        ALA  25   9.537   6.352  -1.076
  181    HA   ALA  25           HA       ALA  25  11.493   4.083  -0.932
  182   1HB   ALA  25          1HB       ALA  25  10.139   3.330   1.015
  183   2HB   ALA  25          2HB       ALA  25  10.570   5.045   1.156
  184   3HB   ALA  25          3HB       ALA  25   8.915   4.581   0.688
  185    H    PHE  26           H        PHE  26   8.227   4.684  -2.098
  186    HA   PHE  26           HA       PHE  26   7.261   1.946  -2.456
  187   1HB   PHE  26          1HB       PHE  26   5.868   4.103  -2.539
  188   2HB   PHE  26          2HB       PHE  26   6.469   4.389  -4.152
  189    HD1  PHE  26           HD1      PHE  26   4.625   4.020  -5.622
  190    HD2  PHE  26           HD2      PHE  26   5.338   1.147  -2.501
  191    HE1  PHE  26           HE1      PHE  26   2.809   2.604  -6.495
  192    HE2  PHE  26           HE2      PHE  26   3.505  -0.245  -3.375
  193    HZ   PHE  26           HZ       PHE  26   2.273   0.455  -5.399
  194    H    ASP  27           H        ASP  27   9.309   4.085  -4.362
  195    HA   ASP  27           HA       ASP  27   9.260   2.515  -6.874
  196   1HB   ASP  27          1HB       ASP  27  11.003   4.849  -5.945
  197   2HB   ASP  27          2HB       ASP  27   9.701   4.857  -7.111
  198    H    MET  28           H        MET  28  11.197   2.527  -3.961
  199    HA   MET  28           HA       MET  28  13.620   1.220  -4.610
  200   1HB   MET  28          1HB       MET  28  12.018   0.261  -2.183
  201   2HB   MET  28          2HB       MET  28  12.706   1.874  -2.247
  202   1HG   MET  28          1HG       MET  28  14.161   0.169  -1.038
  203   2HG   MET  28          2HG       MET  28  14.384  -0.694  -2.569
  204   1HE   MET  28          1HE       MET  28  16.655  -0.723  -2.682
  205   2HE   MET  28          2HE       MET  28  16.711   0.130  -4.252
  206   3HE   MET  28          3HE       MET  28  17.795   0.637  -2.924
  207    H    PHE  29           H        PHE  29  10.419  -0.279  -4.186
  208    HA   PHE  29           HA       PHE  29  11.455  -3.004  -5.090
  209   1HB   PHE  29          1HB       PHE  29   9.214  -3.892  -4.430
  210   2HB   PHE  29          2HB       PHE  29   8.637  -2.285  -4.087
  211    HD1  PHE  29           HD1      PHE  29  11.769  -1.790  -2.859
  212    HD2  PHE  29           HD2      PHE  29   8.353  -4.256  -1.975
  213    HE1  PHE  29           HE1      PHE  29  12.510  -1.999  -0.521
  214    HE2  PHE  29           HE2      PHE  29   9.111  -4.448   0.359
  215    HZ   PHE  29           HZ       PHE  29  11.179  -3.317   1.091
  216    H    ASP  30           H        ASP  30   9.290  -0.365  -5.981
  217    HA   ASP  30           HA       ASP  30   8.423  -1.669  -8.556
  218   1HB   ASP  30          1HB       ASP  30   7.787   1.141  -7.489
  219   2HB   ASP  30          2HB       ASP  30   6.796  -0.283  -7.269
  220    H    ALA  31           H        ALA  31  10.717  -1.912  -9.159
  221    HA   ALA  31           HA       ALA  31  12.614   0.172  -9.786
  222   1HB   ALA  31          1HB       ALA  31  13.637  -1.466 -11.370
  223   2HB   ALA  31          2HB       ALA  31  13.207  -2.228  -9.827
  224   3HB   ALA  31          3HB       ALA  31  12.198  -2.508 -11.270
  225    H    ASP  32           H        ASP  32   9.723  -0.894 -11.452
  226    HA   ASP  32           HA       ASP  32  10.328   0.380 -14.087
  227   1HB   ASP  32          1HB       ASP  32   8.763  -1.638 -13.805
  228   2HB   ASP  32          2HB       ASP  32   7.558  -0.546 -13.161
  229    H    GLY  33           H        GLY  33   7.792   1.051 -11.638
  230   1HA   GLY  33          1HA       GLY  33   7.451   3.394 -10.683
  231   2HA   GLY  33          2HA       GLY  33   8.045   4.045 -12.213
  232    H    GLY  34           H        GLY  34   5.755   1.362 -11.862
  233   1HA   GLY  34          1HA       GLY  34   3.711   2.680 -13.643
  234   2HA   GLY  34          2HA       GLY  34   3.601   1.052 -12.965
  235    H    GLY  35           H        GLY  35   4.182   1.878 -10.236
  236   1HA   GLY  35          1HA       GLY  35   3.095   3.280  -8.403
  237   2HA   GLY  35          2HA       GLY  35   1.701   3.494  -9.466
  238    H    ASP  36           H        ASP  36   3.417   0.455  -8.962
  239    HA   ASP  36           HA       ASP  36   1.377  -0.733  -7.103
  240   1HB   ASP  36          1HB       ASP  36   0.436  -2.407  -8.562
  241   2HB   ASP  36          2HB       ASP  36   0.142  -0.831  -9.258
  242    H    ILE  37           H        ILE  37   2.053  -2.669  -6.242
  243    HA   ILE  37           HA       ILE  37   4.638  -3.996  -7.136
  244    HB   ILE  37           HB       ILE  37   5.767  -3.844  -5.015
  245   1HG1  ILE  37          1HG1      ILE  37   4.382  -1.716  -3.588
  246   2HG1  ILE  37          2HG1      ILE  37   3.196  -2.963  -3.911
  247   1HG2  ILE  37          1HG2      ILE  37   6.456  -1.444  -5.052
  248   2HG2  ILE  37          2HG2      ILE  37   6.204  -2.032  -6.702
  249   3HG2  ILE  37          3HG2      ILE  37   4.976  -0.995  -5.936
  250   1HD1  ILE  37          1HD1      ILE  37   5.827  -3.436  -2.394
  251   2HD1  ILE  37          2HD1      ILE  37   4.179  -3.404  -1.731
  252   3HD1  ILE  37          3HD1      ILE  37   4.662  -4.714  -2.833
  253    H    SER  38           H        SER  38   4.896  -6.065  -6.101
  254    HA   SER  38           HA       SER  38   2.494  -7.688  -5.803
  255   1HB   SER  38          1HB       SER  38   3.993  -9.326  -6.051
  256   2HB   SER  38          2HB       SER  38   4.676  -8.994  -4.444
  257    HG   SER  38           HG       SER  38   5.451  -8.040  -6.965
  258    H    THR  39           H        THR  39   1.681  -8.720  -3.945
  259    HA   THR  39           HA       THR  39   1.469  -6.963  -1.522
  260    HB   THR  39           HB       THR  39  -0.517  -8.141  -2.585
  261    HG1  THR  39           HG1      THR  39  -1.359  -8.659  -0.476
  262   1HG2  THR  39          1HG2      THR  39  -1.111 -10.418  -1.884
  263   2HG2  THR  39          2HG2      THR  39   0.416 -10.485  -2.794
  264   3HG2  THR  39          3HG2      THR  39   0.428 -10.619  -1.015
  265    H    LYS  40           H        LYS  40   2.988  -9.983  -2.482
  266    HA   LYS  40           HA       LYS  40   3.522 -11.193   0.103
  267   1HB   LYS  40          1HB       LYS  40   4.724 -11.478  -2.661
  268   2HB   LYS  40          2HB       LYS  40   3.900 -12.668  -1.676
  269   1HG   LYS  40          1HG       LYS  40   6.570 -11.753  -0.603
  270   2HG   LYS  40          2HG       LYS  40   5.846 -13.348  -0.594
  271   1HD   LYS  40          1HD       LYS  40   6.771 -12.185  -3.274
  272   2HD   LYS  40          2HD       LYS  40   7.974 -12.736  -2.120
  273   1HE   LYS  40          1HE       LYS  40   6.850 -14.389  -3.995
  274   2HE   LYS  40          2HE       LYS  40   5.724 -14.697  -2.673
  275   1HZ   LYS  40          1HZ       LYS  40   8.599 -15.283  -2.827
  276   2HZ   LYS  40          2HZ       LYS  40   7.973 -14.958  -1.333
  277   3HZ   LYS  40          3HZ       LYS  40   7.368 -16.208  -2.228
  278    H    GLU  41           H        GLU  41   5.188  -8.702  -1.753
  279    HA   GLU  41           HA       GLU  41   7.476  -8.533   0.236
  280   1HB   GLU  41          1HB       GLU  41   7.085  -7.443  -2.578
  281   2HB   GLU  41          2HB       GLU  41   8.301  -6.743  -1.528
  282   1HG   GLU  41          1HG       GLU  41   9.377  -9.048  -1.274
  283   2HG   GLU  41          2HG       GLU  41   8.172  -9.712  -2.365
  284    H    LEU  42           H        LEU  42   4.703  -6.740  -0.980
  285    HA   LEU  42           HA       LEU  42   4.943  -4.108  -0.165
  286   1HB   LEU  42          1HB       LEU  42   2.875  -4.649  -1.135
  287   2HB   LEU  42          2HB       LEU  42   2.579  -6.004  -0.066
  288    HG   LEU  42           HG       LEU  42   2.551  -3.780   1.704
  289   1HD1  LEU  42          1HD1      LEU  42   0.952  -2.149   0.660
  290   2HD1  LEU  42          2HD1      LEU  42   2.503  -2.164  -0.193
  291   3HD1  LEU  42          3HD1      LEU  42   1.094  -2.989  -0.905
  292   1HD2  LEU  42          1HD2      LEU  42   0.140  -5.177   0.358
  293   2HD2  LEU  42          2HD2      LEU  42   0.995  -5.740   1.815
  294   3HD2  LEU  42          3HD2      LEU  42   0.090  -4.216   1.859
  295    H    GLY  43           H        GLY  43   4.240  -6.865   1.976
  296   1HA   GLY  43          1HA       GLY  43   4.013  -5.611   4.574
  297   2HA   GLY  43          2HA       GLY  43   4.695  -7.221   4.315
  298    H    THR  44           H        THR  44   6.966  -7.103   3.206
  299    HA   THR  44           HA       THR  44   8.967  -6.329   4.948
  300    HB   THR  44           HB       THR  44   9.054  -6.634   1.941
  301    HG1  THR  44           HG1      THR  44   9.488  -8.074   4.186
  302   1HG2  THR  44          1HG2      THR  44  11.552  -6.514   1.959
  303   2HG2  THR  44          2HG2      THR  44  10.830  -4.927   2.303
  304   3HG2  THR  44          3HG2      THR  44  11.524  -5.895   3.630
  305    H    VAL  45           H        VAL  45   7.702  -4.302   2.305
  306    HA   VAL  45           HA       VAL  45   9.500  -2.067   2.402
  307    HB   VAL  45           HB       VAL  45   7.510  -2.572   0.750
  308   1HG1  VAL  45          1HG1      VAL  45   8.172   0.377   1.361
  309   2HG1  VAL  45          2HG1      VAL  45   9.288  -0.719   0.536
  310   3HG1  VAL  45          3HG1      VAL  45   7.720  -0.337  -0.210
  311   1HG2  VAL  45          1HG2      VAL  45   5.496  -1.207   0.966
  312   2HG2  VAL  45          2HG2      VAL  45   5.637  -2.133   2.479
  313   3HG2  VAL  45          3HG2      VAL  45   6.093  -0.423   2.452
  314    H    MET  46           H        MET  46   6.473  -2.610   4.222
  315    HA   MET  46           HA       MET  46   6.210  -0.227   5.742
  316   1HB   MET  46          1HB       MET  46   5.014  -1.495   7.469
  317   2HB   MET  46          2HB       MET  46   5.744  -3.005   6.955
  318   1HG   MET  46          1HG       MET  46   4.551  -2.517   4.607
  319   2HG   MET  46          2HG       MET  46   3.624  -3.174   5.965
  320   1HE   MET  46          1HE       MET  46   1.726  -2.310   6.971
  321   2HE   MET  46          2HE       MET  46   2.430  -0.965   7.917
  322   3HE   MET  46          3HE       MET  46   1.030  -0.664   6.846
  323    NH1  ARG  47           NH1      ARG  47  13.168  -6.066  11.588
  324    NH2  ARG  47           NH2      ARG  47  14.035  -7.570  10.123
  325    H    ARG  47           H        ARG  47   8.167  -3.100   6.570
  326    HA   ARG  47           HA       ARG  47   9.259  -2.098   9.114
  327   1HB   ARG  47          1HB       ARG  47   9.191  -4.575   8.048
  328   2HB   ARG  47          2HB       ARG  47  10.780  -4.130   7.445
  329   1HG   ARG  47          1HG       ARG  47  10.098  -3.813  10.419
  330   2HG   ARG  47          2HG       ARG  47  11.695  -3.795   9.669
  331   1HD   ARG  47          1HD       ARG  47  10.082  -6.317   9.201
  332   2HD   ARG  47          2HD       ARG  47  10.581  -6.037  10.868
  333    HE   ARG  47           HE       ARG  47  12.515  -6.321   8.521
  334   1HH1  ARG  47          1HH1      ARG  47  14.757  -7.728  10.834
  335   2HH1  ARG  47          2HH1      ARG  47  13.949  -8.045   9.217
  336   1HH2  ARG  47          1HH2      ARG  47  12.394  -5.435  11.823
  337   2HH2  ARG  47          2HH2      ARG  47  13.981  -6.288  12.175
  338    H    MET  48           H        MET  48  10.271  -1.868   5.750
  339    HA   MET  48           HA       MET  48  13.035  -0.869   6.326
  340   1HB   MET  48          1HB       MET  48  12.662  -0.274   3.646
  341   2HB   MET  48          2HB       MET  48  11.476  -1.551   3.851
  342   1HG   MET  48          1HG       MET  48  13.338  -2.835   3.256
  343   2HG   MET  48          2HG       MET  48  13.515  -2.879   5.017
  344   1HE   MET  48          1HE       MET  48  16.113  -1.094   1.811
  345   2HE   MET  48          2HE       MET  48  16.394  -2.745   2.438
  346   3HE   MET  48          3HE       MET  48  14.792  -2.303   1.780
  347    H    LEU  49           H        LEU  49  10.111   0.583   6.744
  348    HA   LEU  49           HA       LEU  49  10.925   3.364   5.829
  349   1HB   LEU  49          1HB       LEU  49   8.644   3.916   7.094
  350   2HB   LEU  49          2HB       LEU  49   8.367   2.190   7.014
  351    HG   LEU  49           HG       LEU  49   8.372   2.196   4.558
  352   1HD1  LEU  49          1HD1      LEU  49   6.393   3.652   4.096
  353   2HD1  LEU  49          2HD1      LEU  49   6.215   2.834   5.659
  354   3HD1  LEU  49          3HD1      LEU  49   6.671   4.555   5.607
  355   1HD2  LEU  49          1HD2      LEU  49   9.118   5.195   4.684
  356   2HD2  LEU  49          2HD2      LEU  49  10.159   3.878   4.091
  357   3HD2  LEU  49          3HD2      LEU  49   8.683   4.295   3.209
  358    H    GLY  50           H        GLY  50  10.481   1.366   8.707
  359   1HA   GLY  50          1HA       GLY  50  12.520   2.001  10.391
  360   2HA   GLY  50          2HA       GLY  50  11.653   3.535  10.514
  361    H    GLN  51           H        GLN  51  10.533   0.151  10.388
  362    HA   GLN  51           HA       GLN  51   9.009   0.532  13.031
  363   1HB   GLN  51          1HB       GLN  51   7.960  -0.548  10.369
  364   2HB   GLN  51          2HB       GLN  51   7.281  -1.109  11.886
  365   1HG   GLN  51          1HG       GLN  51   6.932   1.446  12.469
  366   2HG   GLN  51          2HG       GLN  51   7.228   1.746  10.768
  367   1HE2  GLN  51          1HE2      GLN  51   3.622   1.374  10.586
  368   2HE2  GLN  51          2HE2      GLN  51   4.957   2.582  10.940
  369    H    ASN  52           H        ASN  52   8.235  -1.739  13.756
  370    HA   ASN  52           HA       ASN  52  10.394  -3.831  13.347
  371   1HB   ASN  52          1HB       ASN  52   9.640  -2.751  16.117
  372   2HB   ASN  52          2HB       ASN  52  11.088  -2.305  15.240
  373   1HD2  ASN  52          1HD2      ASN  52  11.637  -5.213  17.735
  374   2HD2  ASN  52          2HD2      ASN  52  10.949  -3.514  17.831
  375    HA   PRO  53           HA       PRO  53   5.954  -5.525  14.232
  376   1HB   PRO  53          1HB       PRO  53   5.039  -6.302  11.763
  377   2HB   PRO  53          2HB       PRO  53   5.011  -4.626  12.332
  378   1HG   PRO  53          1HG       PRO  53   6.998  -5.917  10.419
  379   2HG   PRO  53          2HG       PRO  53   6.244  -4.311  10.305
  380   1HD   PRO  53          1HD       PRO  53   7.917  -3.359  11.682
  381   2HD   PRO  53          2HD       PRO  53   8.830  -4.865  11.362
  382    H    THR  54           H        THR  54   5.109  -7.830  12.894
  383    HA   THR  54           HA       THR  54   7.388  -9.854  13.207
  384    HB   THR  54           HB       THR  54   5.009  -9.720  14.772
  385    HG1  THR  54           HG1      THR  54   6.186 -12.025  15.078
  386   1HG2  THR  54          1HG2      THR  54   4.011 -11.968  14.513
  387   2HG2  THR  54          2HG2      THR  54   3.770 -11.030  13.021
  388   3HG2  THR  54          3HG2      THR  54   5.019 -12.300  13.084
  389    H    LYS  55           H        LYS  55   7.145 -11.778  11.924
  390    HA   LYS  55           HA       LYS  55   6.464 -11.124   9.089
  391   1HB   LYS  55          1HB       LYS  55   7.156 -13.680   8.804
  392   2HB   LYS  55          2HB       LYS  55   7.720 -13.557  10.457
  393   1HG   LYS  55          1HG       LYS  55   8.789 -12.229   7.946
  394   2HG   LYS  55          2HG       LYS  55   9.652 -13.133   9.174
  395   1HD   LYS  55          1HD       LYS  55   8.553 -10.265   9.534
  396   2HD   LYS  55          2HD       LYS  55   9.361 -11.196  10.784
  397   1HE   LYS  55          1HE       LYS  55  10.581  -9.968   8.276
  398   2HE   LYS  55          2HE       LYS  55  11.124  -9.834   9.950
  399   1HZ   LYS  55          1HZ       LYS  55  11.621 -11.966   8.010
  400   2HZ   LYS  55          2HZ       LYS  55  12.617 -11.346   9.174
  401   3HZ   LYS  55          3HZ       LYS  55  11.454 -12.446   9.582
  402    H    GLU  56           H        GLU  56   5.173 -13.096  11.712
  403    HA   GLU  56           HA       GLU  56   3.092 -14.570  10.313
  404   1HB   GLU  56          1HB       GLU  56   3.969 -14.496  12.925
  405   2HB   GLU  56          2HB       GLU  56   2.432 -13.671  13.096
  406   1HG   GLU  56          1HG       GLU  56   2.161 -16.087  13.538
  407   2HG   GLU  56          2HG       GLU  56   1.214 -15.630  12.132
  408    H    GLU  57           H        GLU  57   3.270 -11.280  11.556
  409    HA   GLU  57           HA       GLU  57   0.392 -10.589  11.314
  410   1HB   GLU  57          1HB       GLU  57   1.069  -8.247  11.660
  411   2HB   GLU  57          2HB       GLU  57   2.758  -8.646  11.417
  412   1HG   GLU  57          1HG       GLU  57   2.485 -10.260  13.504
  413   2HG   GLU  57          2HG       GLU  57   2.630  -8.529  13.760
  414    H    LEU  58           H        LEU  58   3.265 -10.352   9.267
  415    HA   LEU  58           HA       LEU  58   2.253  -8.695   7.079
  416   1HB   LEU  58          1HB       LEU  58   4.605  -9.077   7.109
  417   2HB   LEU  58          2HB       LEU  58   4.440 -10.812   7.273
  418    HG   LEU  58           HG       LEU  58   3.552  -9.370   4.708
  419   1HD1  LEU  58          1HD1      LEU  58   4.480 -12.285   5.100
  420   2HD1  LEU  58          2HD1      LEU  58   2.781 -11.789   5.128
  421   3HD1  LEU  58          3HD1      LEU  58   3.740 -11.572   3.644
  422   1HD2  LEU  58          1HD2      LEU  58   5.767  -9.796   3.700
  423   2HD2  LEU  58          2HD2      LEU  58   6.006  -8.839   5.182
  424   3HD2  LEU  58          3HD2      LEU  58   6.351 -10.578   5.190
  425    H    ASP  59           H        ASP  59   1.962 -12.112   7.889
  426    HA   ASP  59           HA       ASP  59   0.789 -13.067   5.374
  427   1HB   ASP  59          1HB       ASP  59   0.627 -14.316   8.176
  428   2HB   ASP  59          2HB       ASP  59   0.013 -15.076   6.727
  429    H    ALA  60           H        ALA  60  -0.547 -11.748   8.369
  430    HA   ALA  60           HA       ALA  60  -3.364 -12.387   7.976
  431   1HB   ALA  60          1HB       ALA  60  -3.810 -10.667   9.722
  432   2HB   ALA  60          2HB       ALA  60  -2.460 -11.723  10.182
  433   3HB   ALA  60          3HB       ALA  60  -2.138 -10.068   9.604
  434    H    ILE  61           H        ILE  61  -1.554  -9.355   7.353
  435    HA   ILE  61           HA       ILE  61  -3.521  -7.688   6.220
  436    HB   ILE  61           HB       ILE  61  -0.551  -7.856   5.812
  437   1HG1  ILE  61          1HG1      ILE  61  -2.486  -5.605   6.665
  438   2HG1  ILE  61          2HG1      ILE  61  -0.782  -5.328   6.376
  439   1HG2  ILE  61          1HG2      ILE  61  -0.520  -6.056   4.066
  440   2HG2  ILE  61          2HG2      ILE  61  -1.305  -7.508   3.449
  441   3HG2  ILE  61          3HG2      ILE  61  -2.296  -6.117   3.946
  442   1HD1  ILE  61          1HD1      ILE  61  -0.100  -6.838   8.220
  443   2HD1  ILE  61          2HD1      ILE  61  -1.254  -5.618   8.800
  444   3HD1  ILE  61          3HD1      ILE  61  -1.803  -7.286   8.514
  445    H    ILE  62           H        ILE  62  -1.810 -10.445   4.854
  446    HA   ILE  62           HA       ILE  62  -2.654 -10.131   2.033
  447    HB   ILE  62           HB       ILE  62  -0.770 -11.715   3.313
  448   1HG1  ILE  62          1HG1      ILE  62  -0.015 -12.337   1.143
  449   2HG1  ILE  62          2HG1      ILE  62  -0.861 -10.831   0.858
  450   1HG2  ILE  62          1HG2      ILE  62  -1.304 -14.115   2.823
  451   2HG2  ILE  62          2HG2      ILE  62  -2.457 -13.454   3.980
  452   3HG2  ILE  62          3HG2      ILE  62  -2.939 -13.662   2.281
  453   1HD1  ILE  62          1HD1      ILE  62  -2.851 -11.981  -0.069
  454   2HD1  ILE  62          2HD1      ILE  62  -1.376 -12.510  -0.904
  455   3HD1  ILE  62          3HD1      ILE  62  -2.134 -13.573   0.304
  456    H    GLU  63           H        GLU  63  -3.780 -12.103   4.784
  457    HA   GLU  63           HA       GLU  63  -5.948 -13.544   3.608
  458   1HB   GLU  63          1HB       GLU  63  -5.469 -14.181   5.796
  459   2HB   GLU  63          2HB       GLU  63  -5.463 -12.545   6.422
  460   1HG   GLU  63          1HG       GLU  63  -7.972 -12.443   6.281
  461   2HG   GLU  63          2HG       GLU  63  -8.019 -14.033   5.538
  462    H    GLU  64           H        GLU  64  -5.774 -10.183   4.663
  463    HA   GLU  64           HA       GLU  64  -8.675  -9.590   4.311
  464   1HB   GLU  64          1HB       GLU  64  -6.493  -7.469   4.543
  465   2HB   GLU  64          2HB       GLU  64  -6.974  -8.430   5.927
  466   1HG   GLU  64          1HG       GLU  64  -9.464  -7.591   5.261
  467   2HG   GLU  64          2HG       GLU  64  -8.591  -6.334   4.402
  468    H    VAL  65           H        VAL  65  -5.702  -9.219   2.456
  469    HA   VAL  65           HA       VAL  65  -7.159  -7.864   0.148
  470    HB   VAL  65           HB       VAL  65  -4.145  -8.296   0.243
  471   1HG1  VAL  65          1HG1      VAL  65  -4.091  -6.308  -1.274
  472   2HG1  VAL  65          2HG1      VAL  65  -5.101  -7.596  -1.958
  473   3HG1  VAL  65          3HG1      VAL  65  -5.866  -6.174  -1.209
  474   1HG2  VAL  65          1HG2      VAL  65  -5.618  -5.868   1.479
  475   2HG2  VAL  65          2HG2      VAL  65  -4.659  -7.079   2.364
  476   3HG2  VAL  65          3HG2      VAL  65  -3.862  -5.997   1.214
  477    H    ASP  66           H        ASP  66  -7.677 -10.584   0.861
  478    HA   ASP  66           HA       ASP  66  -7.161 -11.890  -1.800
  479   1HB   ASP  66          1HB       ASP  66  -5.235 -12.568  -0.094
  480   2HB   ASP  66          2HB       ASP  66  -6.448 -13.610   0.612
  481    H    GLU  67           H        GLU  67  -9.374 -10.735  -0.507
  482    HA   GLU  67           HA       GLU  67 -11.276 -12.634   0.678
  483   1HB   GLU  67          1HB       GLU  67 -11.400  -9.954   0.229
  484   2HB   GLU  67          2HB       GLU  67 -12.367 -10.484  -1.133
  485   1HG   GLU  67          1HG       GLU  67 -13.940 -10.055   0.622
  486   2HG   GLU  67          2HG       GLU  67 -13.847 -11.806   0.530
  487    H    ASP  68           H        ASP  68 -11.539 -11.318  -2.625
  488    HA   ASP  68           HA       ASP  68 -12.550 -14.015  -3.623
  489   1HB   ASP  68          1HB       ASP  68 -14.203 -12.416  -4.123
  490   2HB   ASP  68          2HB       ASP  68 -13.055 -11.165  -4.537
  491    H    GLY  69           H        GLY  69 -11.082 -11.415  -5.530
  492   1HA   GLY  69          1HA       GLY  69  -9.633 -12.770  -7.473
  493   2HA   GLY  69          2HA       GLY  69  -8.565 -13.021  -6.088
  494    H    SER  70           H        SER  70  -7.054 -11.593  -5.753
  495    HA   SER  70           HA       SER  70  -6.813  -9.024  -7.272
  496   1HB   SER  70          1HB       SER  70  -8.480  -8.378  -5.530
  497   2HB   SER  70          2HB       SER  70  -7.344  -8.826  -4.254
  498    HG   SER  70           HG       SER  70  -6.986  -6.860  -6.269
  499    H    GLY  71           H        GLY  71  -4.842  -9.904  -7.878
  500   1HA   GLY  71          1HA       GLY  71  -2.627 -11.058  -7.402
  501   2HA   GLY  71          2HA       GLY  71  -2.743 -10.487  -5.734
  502    H    THR  72           H        THR  72  -3.570  -7.819  -6.317
  503    HA   THR  72           HA       THR  72  -0.936  -6.572  -7.064
  504    HB   THR  72           HB       THR  72  -1.806  -5.017  -8.731
  505    HG1  THR  72           HG1      THR  72  -3.812  -5.129  -9.468
  506   1HG2  THR  72          1HG2      THR  72  -0.816  -7.028  -9.758
  507   2HG2  THR  72          2HG2      THR  72  -2.338  -7.931  -9.588
  508   3HG2  THR  72          3HG2      THR  72  -2.241  -6.542 -10.702
  509    H    ILE  73           H        ILE  73  -0.704  -4.470  -6.287
  510    HA   ILE  73           HA       ILE  73  -2.953  -3.268  -4.683
  511    HB   ILE  73           HB       ILE  73  -1.397  -4.755  -3.204
  512   1HG1  ILE  73          1HG1      ILE  73  -3.276  -2.944  -2.613
  513   2HG1  ILE  73          2HG1      ILE  73  -1.919  -2.005  -2.018
  514   1HG2  ILE  73          1HG2      ILE  73   0.536  -3.679  -2.111
  515   2HG2  ILE  73          2HG2      ILE  73   0.829  -3.744  -3.855
  516   3HG2  ILE  73          3HG2      ILE  73   0.346  -2.209  -3.094
  517   1HD1  ILE  73          1HD1      ILE  73  -2.510  -3.111  -0.041
  518   2HD1  ILE  73          2HD1      ILE  73  -3.044  -4.578  -0.888
  519   3HD1  ILE  73          3HD1      ILE  73  -1.305  -4.272  -0.663
  520    H    ASP  74           H        ASP  74  -2.295  -1.005  -3.927
  521    HA   ASP  74           HA       ASP  74  -0.598   0.410  -6.037
  522   1HB   ASP  74          1HB       ASP  74  -2.538   2.197  -6.111
  523   2HB   ASP  74          2HB       ASP  74  -2.575   0.785  -7.141
  524    H    PHE  75           H        PHE  75  -0.691   2.891  -5.438
  525    HA   PHE  75           HA       PHE  75   0.668   3.060  -2.777
  526   1HB   PHE  75          1HB       PHE  75   0.192   5.308  -4.821
  527   2HB   PHE  75          2HB       PHE  75   1.510   4.171  -4.933
  528    HD1  PHE  75           HD1      PHE  75   2.394   3.985  -2.009
  529    HD2  PHE  75           HD2      PHE  75   1.110   7.413  -4.271
  530    HE1  PHE  75           HE1      PHE  75   3.913   5.423  -0.712
  531    HE2  PHE  75           HE2      PHE  75   2.642   8.833  -2.967
  532    HZ   PHE  75           HZ       PHE  75   4.003   7.853  -1.155
  533    H    GLU  76           H        GLU  76  -2.442   3.841  -4.160
  534    HA   GLU  76           HA       GLU  76  -3.391   5.775  -2.153
  535   1HB   GLU  76          1HB       GLU  76  -4.846   5.996  -3.839
  536   2HB   GLU  76          2HB       GLU  76  -4.514   4.403  -4.488
  537   1HG   GLU  76          1HG       GLU  76  -6.096   3.593  -2.421
  538   2HG   GLU  76          2HG       GLU  76  -6.740   4.074  -3.981
  539    H    GLU  77           H        GLU  77  -4.137   2.311  -2.632
  540    HA   GLU  77           HA       GLU  77  -5.370   1.786  -0.014
  541   1HB   GLU  77          1HB       GLU  77  -4.596  -0.680  -0.532
  542   2HB   GLU  77          2HB       GLU  77  -4.119  -0.052  -2.096
  543   1HG   GLU  77          1HG       GLU  77  -6.979   0.304  -1.001
  544   2HG   GLU  77          2HG       GLU  77  -6.434   0.597  -2.644
  545    H    PHE  78           H        PHE  78  -2.064   1.916  -1.193
  546    HA   PHE  78           HA       PHE  78  -0.621   0.598   0.934
  547   1HB   PHE  78          1HB       PHE  78   0.215   2.903  -0.910
  548   2HB   PHE  78          2HB       PHE  78   0.490   1.199  -1.153
  549    HD1  PHE  78           HD1      PHE  78   1.112   3.203   2.037
  550    HD2  PHE  78           HD2      PHE  78   2.868   1.104  -1.283
  551    HE1  PHE  78           HE1      PHE  78   3.321   3.308   3.122
  552    HE2  PHE  78           HE2      PHE  78   5.092   1.387  -0.271
  553    HZ   PHE  78           HZ       PHE  78   5.319   2.442   1.952
  554    H    LEU  79           H        LEU  79  -1.685   3.986   0.609
  555    HA   LEU  79           HA       LEU  79  -0.582   4.976   3.184
  556   1HB   LEU  79          1HB       LEU  79  -2.993   6.237   1.792
  557   2HB   LEU  79          2HB       LEU  79  -1.790   7.005   2.805
  558    HG   LEU  79           HG       LEU  79  -1.714   6.392  -0.138
  559   1HD1  LEU  79          1HD1      LEU  79  -0.441   8.542  -0.208
  560   2HD1  LEU  79          2HD1      LEU  79  -1.936   8.731   0.726
  561   3HD1  LEU  79          3HD1      LEU  79  -0.375   8.592   1.572
  562   1HD2  LEU  79          1HD2      LEU  79   0.893   6.219   1.520
  563   2HD2  LEU  79          2HD2      LEU  79   0.164   4.901   0.570
  564   3HD2  LEU  79          3HD2      LEU  79   0.801   6.331  -0.256
  565    H    VAL  80           H        VAL  80  -3.556   3.432   2.113
  566    HA   VAL  80           HA       VAL  80  -5.269   4.027   4.400
  567    HB   VAL  80           HB       VAL  80  -5.409   1.939   2.210
  568   1HG1  VAL  80          1HG1      VAL  80  -7.484   4.059   3.044
  569   2HG1  VAL  80          2HG1      VAL  80  -6.200   4.376   1.869
  570   3HG1  VAL  80          3HG1      VAL  80  -7.419   3.127   1.526
  571   1HG2  VAL  80          1HG2      VAL  80  -7.495   0.969   3.056
  572   2HG2  VAL  80          2HG2      VAL  80  -6.272   0.763   4.332
  573   3HG2  VAL  80          3HG2      VAL  80  -7.494   2.035   4.482
  574    H    MET  81           H        MET  81  -2.874   1.528   3.732
  575    HA   MET  81           HA       MET  81  -3.504  -0.292   5.962
  576   1HB   MET  81          1HB       MET  81  -1.363  -1.411   5.477
  577   2HB   MET  81          2HB       MET  81  -0.805  -0.049   4.521
  578   1HG   MET  81          1HG       MET  81  -3.187  -0.691   3.181
  579   2HG   MET  81          2HG       MET  81  -1.564  -1.221   2.712
  580   1HE   MET  81          1HE       MET  81  -4.682  -2.374   5.217
  581   2HE   MET  81          2HE       MET  81  -5.006  -2.152   3.473
  582   3HE   MET  81          3HE       MET  81  -5.019  -3.794   4.178
  583    H    MET  82           H        MET  82  -0.972   2.185   5.488
  584    HA   MET  82           HA       MET  82   0.378   1.876   8.052
  585   1HB   MET  82          1HB       MET  82   1.469   4.044   7.617
  586   2HB   MET  82          2HB       MET  82   0.271   4.467   6.408
  587   1HG   MET  82          1HG       MET  82   1.262   2.044   5.367
  588   2HG   MET  82          2HG       MET  82   1.767   3.668   4.874
  589   1HE   MET  82          1HE       MET  82   4.884   4.412   7.139
  590   2HE   MET  82          2HE       MET  82   3.389   5.098   6.437
  591   3HE   MET  82          3HE       MET  82   3.363   4.406   8.085
  592    H    VAL  83           H        VAL  83  -2.297   3.954   7.004
  593    HA   VAL  83           HA       VAL  83  -2.601   5.550   9.435
  594    HB   VAL  83           HB       VAL  83  -4.387   5.003   7.065
  595   1HG1  VAL  83          1HG1      VAL  83  -3.578   7.683   8.356
  596   2HG1  VAL  83          2HG1      VAL  83  -2.610   6.875   7.115
  597   3HG1  VAL  83          3HG1      VAL  83  -4.261   7.414   6.732
  598   1HG2  VAL  83          1HG2      VAL  83  -6.309   6.220   7.950
  599   2HG2  VAL  83          2HG2      VAL  83  -5.969   4.913   9.108
  600   3HG2  VAL  83          3HG2      VAL  83  -5.479   6.570   9.488
  601    NH1  ARG  84           NH1      ARG  84 -10.119  -0.849   9.302
  602    NH2  ARG  84           NH2      ARG  84  -9.795  -1.574   7.174
  603    H    ARG  84           H        ARG  84  -3.990   2.459   8.358
  604    HA   ARG  84           HA       ARG  84  -5.881   1.830  10.420
  605   1HB   ARG  84          1HB       ARG  84  -4.671   0.395   8.294
  606   2HB   ARG  84          2HB       ARG  84  -4.203  -0.511   9.726
  607   1HG   ARG  84          1HG       ARG  84  -6.377  -1.284   8.646
  608   2HG   ARG  84          2HG       ARG  84  -6.469  -0.974  10.381
  609   1HD   ARG  84          1HD       ARG  84  -8.096   0.610  10.105
  610   2HD   ARG  84          2HD       ARG  84  -7.111   1.519   8.961
  611    HE   ARG  84           HE       ARG  84  -8.265   0.447   7.114
  612   1HH1  ARG  84          1HH1      ARG  84 -10.562  -2.229   7.365
  613   2HH1  ARG  84          2HH1      ARG  84  -9.294  -1.456   6.287
  614   1HH2  ARG  84          1HH2      ARG  84  -9.753  -0.317  10.100
  615   2HH2  ARG  84          2HH2      ARG  84 -10.975  -1.415   9.281
  616    H    GLN  85           H        GLN  85  -2.382   1.039  10.386
  617    HA   GLN  85           HA       GLN  85  -2.359  -0.148  13.108
  618   1HB   GLN  85          1HB       GLN  85   0.289   0.757  12.096
  619   2HB   GLN  85          2HB       GLN  85  -0.613  -0.146  10.892
  620   1HG   GLN  85          1HG       GLN  85  -0.684  -2.142  12.197
  621   2HG   GLN  85          2HG       GLN  85  -0.388  -1.309  13.709
  622   1HE2  GLN  85          1HE2      GLN  85   2.858  -2.936  12.913
  623   2HE2  GLN  85          2HE2      GLN  85   1.196  -3.282  13.609
  624    H    MET  86           H        MET  86  -1.801   3.038  11.750
  625    HA   MET  86           HA       MET  86  -0.210   4.266  13.877
  626   1HB   MET  86          1HB       MET  86  -1.987   6.217  12.558
  627   2HB   MET  86          2HB       MET  86  -1.286   5.123  11.380
  628   1HG   MET  86          1HG       MET  86   0.494   6.571  11.385
  629   2HG   MET  86          2HG       MET  86   0.986   5.742  12.870
  630   1HE   MET  86          1HE       MET  86   1.539   8.498  11.627
  631   2HE   MET  86          2HE       MET  86   0.727   9.921  12.344
  632   3HE   MET  86          3HE       MET  86   2.038   9.099  13.239
  633    H    LYS  87           H        LYS  87  -3.696   3.949  13.329
  634    HA   LYS  87           HA       LYS  87  -4.673   5.641  15.534
  635   1HB   LYS  87          1HB       LYS  87  -5.911   4.205  13.472
  636   2HB   LYS  87          2HB       LYS  87  -6.377   3.263  14.873
  637   1HG   LYS  87          1HG       LYS  87  -7.734   4.942  15.747
  638   2HG   LYS  87          2HG       LYS  87  -7.908   5.237  14.029
  639   1HD   LYS  87          1HD       LYS  87  -6.128   6.835  15.984
  640   2HD   LYS  87          2HD       LYS  87  -6.065   7.032  14.240
  641   1HE   LYS  87          1HE       LYS  87  -7.594   8.658  15.688
  642   2HE   LYS  87          2HE       LYS  87  -8.141   8.128  14.096
  643   1HZ   LYS  87          1HZ       LYS  87  -9.594   6.551  15.100
  644   2HZ   LYS  87          2HZ       LYS  87  -8.905   6.698  16.594
  645   3HZ   LYS  87          3HZ       LYS  87  -9.793   7.943  15.968
  646    H    GLU  88           H        GLU  88  -4.177   2.104  15.249
  647    HA   GLU  88           HA       GLU  88  -3.580   0.437  16.879
  648   1HB   GLU  88          1HB       GLU  88  -2.036   2.397  17.649
  649   2HB   GLU  88          2HB       GLU  88  -3.199   2.664  18.932
  650   1HG   GLU  88          1HG       GLU  88  -1.297   1.279  19.726
  651   2HG   GLU  88          2HG       GLU  88  -2.804   0.389  19.855
  652    H    ASP  89           H        ASP  89  -4.415  -0.468  18.948
  653    HA   ASP  89           HA       ASP  89  -6.285  -1.320  20.182
  654   1HB   ASP  89          1HB       ASP  89  -7.421   1.511  20.328
  655   2HB   ASP  89          2HB       ASP  89  -7.605   0.194  21.464
  656    H    ALA  90           H        ALA  90  -7.133  -2.534  18.565
  657    HA   ALA  90           HA       ALA  90  -8.922  -1.449  16.412
  658   1HB   ALA  90          1HB       ALA  90  -9.327  -4.117  16.143
  659   2HB   ALA  90          2HB       ALA  90  -7.838  -3.349  15.558
  660   3HB   ALA  90          3HB       ALA  90  -7.836  -4.218  17.112
   
  Start of MODEL          39
 Raw file had  660 H/Q atoms
  Start of MODEL   39
    1   1H    ALA   1          1H        ALA   1 -22.971   9.489  10.802
    2   2H    ALA   1          2H        ALA   1 -23.644   8.456   9.659
    3   3H    ALA   1          3H        ALA   1 -23.037   7.835  11.099
    4    HA   ALA   1           HA       ALA   1 -21.318   9.355   9.267
    5   1HB   ALA   1          1HB       ALA   1 -20.885   7.355  11.552
    6   2HB   ALA   1          2HB       ALA   1 -19.593   7.688  10.383
    7   3HB   ALA   1          3HB       ALA   1 -20.242   9.007  11.391
    8    H    SER   2           H        SER   2 -20.172   8.187   7.676
    9    HA   SER   2           HA       SER   2 -21.071   5.363   6.943
   10   1HB   SER   2          1HB       SER   2 -22.492   6.150   5.385
   11   2HB   SER   2          2HB       SER   2 -21.893   7.806   5.519
   12    HG   SER   2           HG       SER   2 -21.387   7.147   3.530
   13    H    MET   3           H        MET   3 -19.357   4.187   6.516
   14    HA   MET   3           HA       MET   3 -16.694   5.494   5.724
   15   1HB   MET   3          1HB       MET   3 -15.778   3.121   6.517
   16   2HB   MET   3          2HB       MET   3 -17.298   3.010   7.383
   17   1HG   MET   3          1HG       MET   3 -15.200   5.245   7.756
   18   2HG   MET   3          2HG       MET   3 -15.484   3.882   8.850
   19   1HE   MET   3          1HE       MET   3 -16.426   6.089  11.176
   20   2HE   MET   3          2HE       MET   3 -15.216   6.393   9.894
   21   3HE   MET   3          3HE       MET   3 -16.583   7.524  10.115
   22    H    THR   4           H        THR   4 -18.637   5.177   3.825
   23    HA   THR   4           HA       THR   4 -18.062   2.729   2.170
   24    HB   THR   4           HB       THR   4 -19.522   3.823   0.428
   25    HG1  THR   4           HG1      THR   4 -19.556   5.881   0.774
   26   1HG2  THR   4          1HG2      THR   4 -21.689   3.513   1.564
   27   2HG2  THR   4          2HG2      THR   4 -20.588   2.205   2.049
   28   3HG2  THR   4          3HG2      THR   4 -20.927   3.550   3.169
   29    H    ASP   5           H        ASP   5 -16.078   5.044   2.944
   30    HA   ASP   5           HA       ASP   5 -14.334   4.831   0.591
   31   1HB   ASP   5          1HB       ASP   5 -16.367   6.742   0.159
   32   2HB   ASP   5          2HB       ASP   5 -15.015   7.719   0.684
   33    H    GLN   6           H        GLN   6 -14.182   4.438   3.340
   34    HA   GLN   6           HA       GLN   6 -12.971   6.547   4.969
   35   1HB   GLN   6          1HB       GLN   6 -12.897   4.938   6.536
   36   2HB   GLN   6          2HB       GLN   6 -13.609   3.851   5.357
   37   1HG   GLN   6          1HG       GLN   6 -11.477   2.882   4.751
   38   2HG   GLN   6          2HG       GLN   6 -10.561   4.170   5.507
   39   1HE2  GLN   6          1HE2      GLN   6 -12.315   1.338   8.034
   40   2HE2  GLN   6          2HE2      GLN   6 -13.173   1.873   6.502
   41    H    GLN   7           H        GLN   7 -11.754   4.508   2.383
   42    HA   GLN   7           HA       GLN   7  -8.935   4.535   2.572
   43   1HB   GLN   7          1HB       GLN   7  -8.782   4.277   0.220
   44   2HB   GLN   7          2HB       GLN   7 -10.328   3.577   0.664
   45   1HG   GLN   7          1HG       GLN   7 -11.438   5.822  -0.031
   46   2HG   GLN   7          2HG       GLN   7  -9.887   6.305  -0.688
   47   1HE2  GLN   7          1HE2      GLN   7 -12.174   3.489  -2.693
   48   2HE2  GLN   7          2HE2      GLN   7 -12.423   3.789  -0.900
   49    H    ALA   8           H        ALA   8 -11.025   7.194   1.423
   50    HA   ALA   8           HA       ALA   8  -8.945   9.075   0.642
   51   1HB   ALA   8          1HB       ALA   8 -11.709   9.936   1.639
   52   2HB   ALA   8          2HB       ALA   8 -10.687  10.705   0.410
   53   3HB   ALA   8          3HB       ALA   8 -11.480   9.149   0.059
   54    H    GLU   9           H        GLU   9 -10.712   8.609   3.693
   55    HA   GLU   9           HA       GLU   9  -9.913  10.802   5.299
   56   1HB   GLU   9          1HB       GLU   9 -11.439   8.841   5.954
   57   2HB   GLU   9          2HB       GLU   9  -9.998   7.947   6.396
   58   1HG   GLU   9          1HG       GLU   9  -9.424   9.897   8.034
   59   2HG   GLU   9          2HG       GLU   9 -11.013  10.556   7.685
   60    H    ALA  10           H        ALA  10  -8.026   8.003   4.297
   61    HA   ALA  10           HA       ALA  10  -5.795   8.051   6.099
   62   1HB   ALA  10          1HB       ALA  10  -4.509   6.868   4.325
   63   2HB   ALA  10          2HB       ALA  10  -6.153   6.219   4.475
   64   3HB   ALA  10          3HB       ALA  10  -5.740   7.288   3.110
   65    NH1  ARG  11           NH1      ARG  11  -5.952  13.636  -2.768
   66    NH2  ARG  11           NH2      ARG  11  -3.796  13.812  -2.076
   67    H    ARG  11           H        ARG  11  -6.070   9.651   2.908
   68    HA   ARG  11           HA       ARG  11  -3.444  11.054   3.039
   69   1HB   ARG  11          1HB       ARG  11  -4.319  12.308   0.992
   70   2HB   ARG  11          2HB       ARG  11  -4.181  10.562   0.849
   71   1HG   ARG  11          1HG       ARG  11  -6.559  10.199   0.972
   72   2HG   ARG  11          2HG       ARG  11  -6.876  11.819   1.597
   73   1HD   ARG  11          1HD       ARG  11  -7.111  12.659  -0.515
   74   2HD   ARG  11          2HD       ARG  11  -6.977  11.015  -1.138
   75    HE   ARG  11           HE       ARG  11  -4.321  11.555  -1.050
   76   1HH1  ARG  11          1HH1      ARG  11  -3.754  14.643  -2.675
   77   2HH1  ARG  11          2HH1      ARG  11  -3.026  13.406  -1.532
   78   1HH2  ARG  11          1HH2      ARG  11  -6.870  13.197  -2.640
   79   2HH2  ARG  11          2HH2      ARG  11  -5.713  14.380  -3.434
   80    H    ALA  12           H        ALA  12  -6.803  11.812   3.781
   81    HA   ALA  12           HA       ALA  12  -6.724  14.681   4.098
   82   1HB   ALA  12          1HB       ALA  12  -8.700  14.446   5.587
   83   2HB   ALA  12          2HB       ALA  12  -8.845  13.398   4.162
   84   3HB   ALA  12          3HB       ALA  12  -8.418  12.695   5.743
   85    H    PHE  13           H        PHE  13  -5.435  12.136   6.131
   86    HA   PHE  13           HA       PHE  13  -5.241  13.665   8.663
   87   1HB   PHE  13          1HB       PHE  13  -5.335  11.120   8.479
   88   2HB   PHE  13          2HB       PHE  13  -3.702  11.121   7.867
   89    HD1  PHE  13           HD1      PHE  13  -5.711  10.949  10.826
   90    HD2  PHE  13           HD2      PHE  13  -1.891  12.390   9.463
   91    HE1  PHE  13           HE1      PHE  13  -4.871  10.945  13.139
   92    HE2  PHE  13           HE2      PHE  13  -1.070  12.377  11.781
   93    HZ   PHE  13           HZ       PHE  13  -2.560  11.674  13.624
   94    H    LEU  14           H        LEU  14  -2.707  12.397   6.475
   95    HA   LEU  14           HA       LEU  14  -0.627  14.277   7.542
   96   1HB   LEU  14          1HB       LEU  14   0.790  13.129   5.642
   97   2HB   LEU  14          2HB       LEU  14   0.380  12.247   7.098
   98    HG   LEU  14           HG       LEU  14  -1.308  10.911   5.971
   99   1HD1  LEU  14          1HD1      LEU  14  -2.018  11.270   3.601
  100   2HD1  LEU  14          2HD1      LEU  14  -2.395  12.692   4.591
  101   3HD1  LEU  14          3HD1      LEU  14  -0.997  12.726   3.487
  102   1HD2  LEU  14          1HD2      LEU  14   1.129  11.183   4.084
  103   2HD2  LEU  14          2HD2      LEU  14   1.027  10.138   5.522
  104   3HD2  LEU  14          3HD2      LEU  14  -0.006   9.811   4.122
  105    H    SER  15           H        SER  15   0.731  15.486   5.945
  106    HA   SER  15           HA       SER  15  -1.004  17.216   4.158
  107   1HB   SER  15          1HB       SER  15   0.889  17.964   5.933
  108   2HB   SER  15          2HB       SER  15   1.943  17.791   4.528
  109    HG   SER  15           HG       SER  15  -0.296  19.451   4.901
  110    H    GLU  16           H        GLU  16   0.466  18.033   2.183
  111    HA   GLU  16           HA       GLU  16   0.661  15.758   0.272
  112   1HB   GLU  16          1HB       GLU  16   0.892  18.752   0.067
  113   2HB   GLU  16          2HB       GLU  16   1.743  17.824  -1.151
  114   1HG   GLU  16          1HG       GLU  16  -1.239  17.329  -0.557
  115   2HG   GLU  16          2HG       GLU  16  -0.714  18.604  -1.645
  116    H    GLU  17           H        GLU  17   2.855  17.789   2.111
  117    HA   GLU  17           HA       GLU  17   5.381  17.231   0.763
  118   1HB   GLU  17          1HB       GLU  17   4.792  18.095   3.618
  119   2HB   GLU  17          2HB       GLU  17   6.423  17.645   3.163
  120   1HG   GLU  17          1HG       GLU  17   4.916  19.733   1.493
  121   2HG   GLU  17          2HG       GLU  17   6.650  19.487   1.625
  122    H    MET  18           H        MET  18   3.815  15.617   3.536
  123    HA   MET  18           HA       MET  18   5.852  13.634   4.142
  124   1HB   MET  18          1HB       MET  18   2.814  13.431   4.576
  125   2HB   MET  18          2HB       MET  18   3.977  14.129   5.688
  126   1HG   MET  18          1HG       MET  18   3.339  11.238   5.183
  127   2HG   MET  18          2HG       MET  18   5.066  11.577   5.374
  128   1HE   MET  18          1HE       MET  18   5.072  10.040   7.116
  129   2HE   MET  18          2HE       MET  18   5.666  10.997   8.504
  130   3HE   MET  18          3HE       MET  18   4.142  10.074   8.647
  131    H    ILE  19           H        ILE  19   3.143  13.651   1.863
  132    HA   ILE  19           HA       ILE  19   3.190  10.835   1.028
  133    HB   ILE  19           HB       ILE  19   2.250  13.242  -0.616
  134   1HG1  ILE  19          1HG1      ILE  19   0.926  11.710   1.635
  135   2HG1  ILE  19          2HG1      ILE  19   0.731  13.380   1.150
  136   1HG2  ILE  19          1HG2      ILE  19   0.918  11.591  -1.948
  137   2HG2  ILE  19          2HG2      ILE  19   2.637  11.215  -2.053
  138   3HG2  ILE  19          3HG2      ILE  19   1.589  10.245  -0.993
  139   1HD1  ILE  19          1HD1      ILE  19  -0.610  11.004  -0.268
  140   2HD1  ILE  19          2HD1      ILE  19  -1.376  12.232   0.760
  141   3HD1  ILE  19          3HD1      ILE  19  -0.700  12.700  -0.817
  142    H    ALA  20           H        ALA  20   4.847  13.771  -0.099
  143    HA   ALA  20           HA       ALA  20   6.130  12.887  -2.485
  144   1HB   ALA  20          1HB       ALA  20   6.170  15.222  -1.148
  145   2HB   ALA  20          2HB       ALA  20   7.759  14.637  -0.619
  146   3HB   ALA  20          3HB       ALA  20   7.415  14.830  -2.357
  147    H    GLU  21           H        GLU  21   7.034  12.327   0.890
  148    HA   GLU  21           HA       GLU  21   9.700  11.115   0.336
  149   1HB   GLU  21          1HB       GLU  21   9.169  12.337   2.462
  150   2HB   GLU  21          2HB       GLU  21   8.067  11.057   2.929
  151   1HG   GLU  21          1HG       GLU  21   9.912   9.427   3.140
  152   2HG   GLU  21          2HG       GLU  21  11.055  10.529   2.392
  153    H    PHE  22           H        PHE  22   6.422   9.977   1.030
  154    HA   PHE  22           HA       PHE  22   6.916   7.137   1.446
  155   1HB   PHE  22          1HB       PHE  22   4.437   8.597   0.379
  156   2HB   PHE  22          2HB       PHE  22   4.465   6.866   0.582
  157    HD1  PHE  22           HD1      PHE  22   6.293   9.148   2.951
  158    HD2  PHE  22           HD2      PHE  22   2.748   6.786   2.332
  159    HE1  PHE  22           HE1      PHE  22   5.609   9.546   5.279
  160    HE2  PHE  22           HE2      PHE  22   2.105   7.157   4.678
  161    HZ   PHE  22           HZ       PHE  22   3.548   8.505   6.163
  162    H    LYS  23           H        LYS  23   6.593   9.129  -1.435
  163    HA   LYS  23           HA       LYS  23   6.298   7.133  -3.515
  164   1HB   LYS  23          1HB       LYS  23   7.904   9.732  -3.845
  165   2HB   LYS  23          2HB       LYS  23   7.146   8.797  -5.116
  166   1HG   LYS  23          1HG       LYS  23   4.990   9.416  -3.368
  167   2HG   LYS  23          2HG       LYS  23   5.993  10.851  -3.300
  168   1HD   LYS  23          1HD       LYS  23   4.651   9.622  -5.785
  169   2HD   LYS  23          2HD       LYS  23   5.971  10.771  -5.933
  170   1HE   LYS  23          1HE       LYS  23   3.424  11.431  -4.339
  171   2HE   LYS  23          2HE       LYS  23   4.701  12.559  -4.797
  172   1HZ   LYS  23          1HZ       LYS  23   2.595  11.372  -6.467
  173   2HZ   LYS  23          2HZ       LYS  23   3.170  12.921  -6.442
  174   3HZ   LYS  23          3HZ       LYS  23   4.029  11.733  -7.204
  175    H    ALA  24           H        ALA  24   9.250   8.624  -2.151
  176    HA   ALA  24           HA       ALA  24  11.292   7.448  -3.742
  177   1HB   ALA  24          1HB       ALA  24  12.840   7.802  -1.827
  178   2HB   ALA  24          2HB       ALA  24  11.755   9.189  -2.038
  179   3HB   ALA  24          3HB       ALA  24  11.467   8.028  -0.716
  180    H    ALA  25           H        ALA  25   9.716   6.086  -0.848
  181    HA   ALA  25           HA       ALA  25  11.397   3.660  -0.641
  182   1HB   ALA  25          1HB       ALA  25   9.753   2.919   1.075
  183   2HB   ALA  25          2HB       ALA  25  10.249   4.601   1.343
  184   3HB   ALA  25          3HB       ALA  25   8.651   4.247   0.638
  185    H    PHE  26           H        PHE  26   8.237   4.418  -2.057
  186    HA   PHE  26           HA       PHE  26   7.336   1.685  -2.649
  187   1HB   PHE  26          1HB       PHE  26   6.490   4.239  -4.138
  188   2HB   PHE  26          2HB       PHE  26   5.894   3.824  -2.552
  189    HD1  PHE  26           HD1      PHE  26   4.925   1.212  -2.431
  190    HD2  PHE  26           HD2      PHE  26   5.191   3.599  -6.001
  191    HE1  PHE  26           HE1      PHE  26   3.176  -0.158  -3.492
  192    HE2  PHE  26           HE2      PHE  26   3.413   2.243  -7.029
  193    HZ   PHE  26           HZ       PHE  26   2.424   0.347  -5.792
  194    H    ASP  27           H        ASP  27   9.454   3.976  -4.257
  195    HA   ASP  27           HA       ASP  27   9.458   2.691  -6.931
  196   1HB   ASP  27          1HB       ASP  27  11.104   4.921  -5.676
  197   2HB   ASP  27          2HB       ASP  27   9.979   4.987  -7.012
  198    H    MET  28           H        MET  28  11.331   2.412  -3.977
  199    HA   MET  28           HA       MET  28  13.765   1.170  -4.818
  200   1HB   MET  28          1HB       MET  28  12.152   0.753  -2.257
  201   2HB   MET  28          2HB       MET  28  13.598  -0.191  -2.561
  202   1HG   MET  28          1HG       MET  28  13.569   2.895  -2.543
  203   2HG   MET  28          2HG       MET  28  13.989   1.886  -1.149
  204   1HE   MET  28          1HE       MET  28  17.406   0.545  -1.661
  205   2HE   MET  28          2HE       MET  28  16.879   2.005  -0.773
  206   3HE   MET  28          3HE       MET  28  15.854   0.540  -0.767
  207    H    PHE  29           H        PHE  29  10.568  -0.286  -4.305
  208    HA   PHE  29           HA       PHE  29  11.548  -3.050  -5.152
  209   1HB   PHE  29          1HB       PHE  29   9.177  -3.796  -4.517
  210   2HB   PHE  29          2HB       PHE  29   8.831  -2.168  -4.004
  211    HD1  PHE  29           HD1      PHE  29   8.315  -2.837  -1.698
  212    HD2  PHE  29           HD2      PHE  29  12.216  -3.625  -3.341
  213    HE1  PHE  29           HE1      PHE  29   9.192  -3.272   0.560
  214    HE2  PHE  29           HE2      PHE  29  13.069  -4.060  -1.074
  215    HZ   PHE  29           HZ       PHE  29  11.565  -3.887   0.875
  216    H    ASP  30           H        ASP  30   9.415  -0.400  -6.085
  217    HA   ASP  30           HA       ASP  30   8.061  -1.830  -8.318
  218   1HB   ASP  30          1HB       ASP  30   6.871  -0.010  -7.156
  219   2HB   ASP  30          2HB       ASP  30   8.096   1.153  -7.608
  220    H    ALA  31           H        ALA  31   8.269  -1.270 -10.550
  221    HA   ALA  31           HA       ALA  31  11.100  -0.918 -11.495
  222   1HB   ALA  31          1HB       ALA  31  10.166  -1.424 -13.756
  223   2HB   ALA  31          2HB       ALA  31   9.671  -2.633 -12.555
  224   3HB   ALA  31          3HB       ALA  31   8.508  -1.401 -13.109
  225    H    ASP  32           H        ASP  32  11.044   0.439 -13.724
  226    HA   ASP  32           HA       ASP  32  10.518   3.321 -12.952
  227   1HB   ASP  32          1HB       ASP  32  12.487   2.007 -14.663
  228   2HB   ASP  32          2HB       ASP  32  12.491   3.612 -13.969
  229    H    GLY  33           H        GLY  33   8.537   3.997 -13.274
  230   1HA   GLY  33          1HA       GLY  33   6.463   4.586 -14.428
  231   2HA   GLY  33          2HA       GLY  33   7.129   3.868 -15.898
  232    H    GLY  34           H        GLY  34   6.035   2.836 -12.653
  233   1HA   GLY  34          1HA       GLY  34   4.679   0.372 -13.903
  234   2HA   GLY  34          2HA       GLY  34   5.379   0.363 -12.281
  235    H    GLY  35           H        GLY  35   4.347   1.374 -10.585
  236   1HA   GLY  35          1HA       GLY  35   1.405   2.165 -11.027
  237   2HA   GLY  35          2HA       GLY  35   2.432   3.046  -9.892
  238    H    ASP  36           H        ASP  36   2.429  -0.447 -10.448
  239    HA   ASP  36           HA       ASP  36   1.472  -0.934  -7.578
  240   1HB   ASP  36          1HB       ASP  36   0.036  -2.729  -8.212
  241   2HB   ASP  36          2HB       ASP  36  -0.367  -1.374  -9.241
  242    H    ILE  37           H        ILE  37   2.069  -3.100  -6.792
  243    HA   ILE  37           HA       ILE  37   4.558  -4.365  -8.006
  244    HB   ILE  37           HB       ILE  37   5.396  -4.387  -5.425
  245   1HG1  ILE  37          1HG1      ILE  37   4.796  -1.433  -5.522
  246   2HG1  ILE  37          2HG1      ILE  37   3.401  -2.431  -5.172
  247   1HG2  ILE  37          1HG2      ILE  37   7.140  -2.743  -6.128
  248   2HG2  ILE  37          2HG2      ILE  37   6.764  -3.841  -7.463
  249   3HG2  ILE  37          3HG2      ILE  37   6.120  -2.182  -7.475
  250   1HD1  ILE  37          1HD1      ILE  37   5.980  -2.421  -3.499
  251   2HD1  ILE  37          2HD1      ILE  37   4.393  -1.753  -3.058
  252   3HD1  ILE  37          3HD1      ILE  37   4.594  -3.512  -3.226
  253    H    SER  38           H        SER  38   5.106  -6.239  -6.241
  254    HA   SER  38           HA       SER  38   2.689  -8.019  -6.134
  255   1HB   SER  38          1HB       SER  38   5.234  -8.634  -6.655
  256   2HB   SER  38          2HB       SER  38   5.352  -8.805  -4.902
  257    HG   SER  38           HG       SER  38   4.641 -10.645  -6.299
  258    H    THR  39           H        THR  39   1.741  -8.811  -4.297
  259    HA   THR  39           HA       THR  39   1.771  -7.041  -1.867
  260    HB   THR  39           HB       THR  39  -0.242  -8.015  -1.170
  261    HG1  THR  39           HG1      THR  39  -0.343 -10.053  -3.014
  262   1HG2  THR  39          1HG2      THR  39  -1.788  -7.992  -3.078
  263   2HG2  THR  39          2HG2      THR  39  -0.577  -6.710  -3.312
  264   3HG2  THR  39          3HG2      THR  39  -0.460  -8.231  -4.237
  265    H    LYS  40           H        LYS  40   3.787  -9.414  -2.776
  266    HA   LYS  40           HA       LYS  40   3.920 -11.005  -0.208
  267   1HB   LYS  40          1HB       LYS  40   4.963 -11.325  -2.948
  268   2HB   LYS  40          2HB       LYS  40   6.264 -11.517  -1.791
  269   1HG   LYS  40          1HG       LYS  40   5.571 -13.698  -1.820
  270   2HG   LYS  40          2HG       LYS  40   4.472 -13.154  -0.568
  271   1HD   LYS  40          1HD       LYS  40   3.019 -14.370  -1.984
  272   2HD   LYS  40          2HD       LYS  40   2.751 -12.712  -2.500
  273   1HE   LYS  40          1HE       LYS  40   4.275 -14.906  -3.981
  274   2HE   LYS  40          2HE       LYS  40   4.647 -13.218  -4.336
  275   1HZ   LYS  40          1HZ       LYS  40   2.957 -13.856  -5.821
  276   2HZ   LYS  40          2HZ       LYS  40   2.043 -14.608  -4.668
  277   3HZ   LYS  40          3HZ       LYS  40   2.148 -12.959  -4.694
  278    H    GLU  41           H        GLU  41   5.577  -8.418  -1.938
  279    HA   GLU  41           HA       GLU  41   7.775  -8.195   0.137
  280   1HB   GLU  41          1HB       GLU  41   9.051  -7.014  -1.387
  281   2HB   GLU  41          2HB       GLU  41   7.675  -6.297  -2.203
  282   1HG   GLU  41          1HG       GLU  41   7.310  -8.975  -2.895
  283   2HG   GLU  41          2HG       GLU  41   8.124  -7.777  -3.886
  284    H    LEU  42           H        LEU  42   4.921  -6.527  -1.054
  285    HA   LEU  42           HA       LEU  42   4.974  -3.908  -0.198
  286   1HB   LEU  42          1HB       LEU  42   2.878  -4.232  -0.957
  287   2HB   LEU  42          2HB       LEU  42   2.861  -5.922  -0.505
  288    HG   LEU  42           HG       LEU  42   1.019  -4.446   0.485
  289   1HD1  LEU  42          1HD1      LEU  42   3.174  -3.441   2.447
  290   2HD1  LEU  42          2HD1      LEU  42   2.551  -2.477   1.100
  291   3HD1  LEU  42          3HD1      LEU  42   1.450  -2.991   2.403
  292   1HD2  LEU  42          1HD2      LEU  42   0.916  -5.628   2.636
  293   2HD2  LEU  42          2HD2      LEU  42   1.636  -6.736   1.442
  294   3HD2  LEU  42          3HD2      LEU  42   2.674  -5.925   2.629
  295    H    GLY  43           H        GLY  43   4.069  -6.602   1.983
  296   1HA   GLY  43          1HA       GLY  43   3.865  -5.412   4.532
  297   2HA   GLY  43          2HA       GLY  43   4.629  -6.990   4.316
  298    H    THR  44           H        THR  44   6.945  -6.897   3.501
  299    HA   THR  44           HA       THR  44   8.770  -5.899   5.324
  300    HB   THR  44           HB       THR  44   9.079  -6.641   2.434
  301    HG1  THR  44           HG1      THR  44  10.301  -7.399   4.871
  302   1HG2  THR  44          1HG2      THR  44  11.551  -6.265   2.469
  303   2HG2  THR  44          2HG2      THR  44  10.668  -4.724   2.493
  304   3HG2  THR  44          3HG2      THR  44  11.405  -5.351   3.990
  305    H    VAL  45           H        VAL  45   7.446  -4.146   2.560
  306    HA   VAL  45           HA       VAL  45   9.256  -1.862   2.481
  307    HB   VAL  45           HB       VAL  45   7.224  -2.680   0.853
  308   1HG1  VAL  45          1HG1      VAL  45   8.285   0.215   0.823
  309   2HG1  VAL  45          2HG1      VAL  45   9.242  -1.176   0.296
  310   3HG1  VAL  45          3HG1      VAL  45   7.743  -0.762  -0.567
  311   1HG2  VAL  45          1HG2      VAL  45   5.418  -1.045   0.698
  312   2HG2  VAL  45          2HG2      VAL  45   5.427  -1.622   2.380
  313   3HG2  VAL  45          3HG2      VAL  45   6.114  -0.038   1.995
  314    H    MET  46           H        MET  46   6.072  -2.301   4.057
  315    HA   MET  46           HA       MET  46   5.711   0.240   5.316
  316   1HB   MET  46          1HB       MET  46   4.585  -2.453   5.689
  317   2HB   MET  46          2HB       MET  46   4.781  -1.661   7.241
  318   1HG   MET  46          1HG       MET  46   2.824  -1.084   5.075
  319   2HG   MET  46          2HG       MET  46   3.621   0.385   5.660
  320   1HE   MET  46          1HE       MET  46   2.932  -3.027   7.062
  321   2HE   MET  46          2HE       MET  46   2.746  -2.641   8.798
  322   3HE   MET  46          3HE       MET  46   1.297  -2.838   7.769
  323    NH1  ARG  47           NH1      ARG  47  11.777  -5.864  11.702
  324    NH2  ARG  47           NH2      ARG  47  11.257  -7.850  10.729
  325    H    ARG  47           H        ARG  47   7.813  -2.435   6.213
  326    HA   ARG  47           HA       ARG  47   8.497  -1.443   8.955
  327   1HB   ARG  47          1HB       ARG  47   8.505  -3.902   8.311
  328   2HB   ARG  47          2HB       ARG  47   9.889  -3.600   7.271
  329   1HG   ARG  47          1HG       ARG  47   9.783  -3.746  10.279
  330   2HG   ARG  47          2HG       ARG  47  10.874  -2.524   9.623
  331   1HD   ARG  47          1HD       ARG  47  12.365  -4.309   9.602
  332   2HD   ARG  47          2HD       ARG  47  11.664  -4.570   8.007
  333    HE   ARG  47           HE       ARG  47  10.304  -6.447   8.932
  334   1HH1  ARG  47          1HH1      ARG  47  12.002  -6.421  12.534
  335   2HH1  ARG  47          2HH1      ARG  47  11.846  -4.845  11.607
  336   1HH2  ARG  47          1HH2      ARG  47  10.831  -8.338   9.933
  337   2HH2  ARG  47          2HH2      ARG  47  11.615  -8.277  11.591
  338    H    MET  48           H        MET  48   9.894  -1.342   5.716
  339    HA   MET  48           HA       MET  48  12.556  -0.276   6.557
  340   1HB   MET  48          1HB       MET  48  12.524  -1.636   4.558
  341   2HB   MET  48          2HB       MET  48  11.269  -0.666   3.807
  342   1HG   MET  48          1HG       MET  48  12.829   1.236   3.470
  343   2HG   MET  48          2HG       MET  48  14.092   0.421   4.405
  344   1HE   MET  48          1HE       MET  48  15.614   0.974   2.483
  345   2HE   MET  48          2HE       MET  48  16.142  -0.700   2.826
  346   3HE   MET  48          3HE       MET  48  15.900  -0.171   1.135
  347    H    LEU  49           H        LEU  49   9.551   1.147   6.481
  348    HA   LEU  49           HA       LEU  49  10.428   3.919   5.646
  349   1HB   LEU  49          1HB       LEU  49   7.828   3.631   7.102
  350   2HB   LEU  49          2HB       LEU  49   8.221   4.528   5.650
  351    HG   LEU  49           HG       LEU  49   7.850   1.470   5.690
  352   1HD1  LEU  49          1HD1      LEU  49   7.855   3.399   3.281
  353   2HD1  LEU  49          2HD1      LEU  49   9.243   2.409   3.768
  354   3HD1  LEU  49          3HD1      LEU  49   7.740   1.622   3.228
  355   1HD2  LEU  49          1HD2      LEU  49   5.573   1.793   4.818
  356   2HD2  LEU  49          2HD2      LEU  49   5.707   2.750   6.314
  357   3HD2  LEU  49          3HD2      LEU  49   5.787   3.560   4.743
  358    H    GLY  50           H        GLY  50   9.513   2.091   8.560
  359   1HA   GLY  50          1HA       GLY  50  11.242   2.993  10.557
  360   2HA   GLY  50          2HA       GLY  50  10.189   4.403  10.400
  361    H    GLN  51           H        GLN  51   9.507   0.908  10.244
  362    HA   GLN  51           HA       GLN  51   7.944   0.999  12.864
  363   1HB   GLN  51          1HB       GLN  51   6.708   0.651  10.166
  364   2HB   GLN  51          2HB       GLN  51   6.321  -0.645  11.284
  365   1HG   GLN  51          1HG       GLN  51   4.628   0.687  11.994
  366   2HG   GLN  51          2HG       GLN  51   5.843   1.524  12.939
  367   1HE2  GLN  51          1HE2      GLN  51   3.894   4.027  10.814
  368   2HE2  GLN  51          2HE2      GLN  51   3.386   2.622  11.879
  369    H    ASN  52           H        ASN  52   7.432  -1.229  13.574
  370    HA   ASN  52           HA       ASN  52   9.484  -3.280  12.650
  371   1HB   ASN  52          1HB       ASN  52   9.121  -2.248  15.510
  372   2HB   ASN  52          2HB       ASN  52  10.530  -2.049  14.490
  373   1HD2  ASN  52          1HD2      ASN  52  11.173  -5.802  14.959
  374   2HD2  ASN  52          2HD2      ASN  52  10.732  -4.760  13.515
  375    HA   PRO  53           HA       PRO  53   5.203  -5.191  13.737
  376   1HB   PRO  53          1HB       PRO  53   4.482  -6.327  11.339
  377   2HB   PRO  53          2HB       PRO  53   4.296  -4.604  11.702
  378   1HG   PRO  53          1HG       PRO  53   5.578  -4.417   9.741
  379   2HG   PRO  53          2HG       PRO  53   6.505  -5.909  10.023
  380   1HD   PRO  53          1HD       PRO  53   6.947  -3.111  11.100
  381   2HD   PRO  53          2HD       PRO  53   8.131  -4.440  10.912
  382    H    THR  54           H        THR  54   4.571  -7.688  12.723
  383    HA   THR  54           HA       THR  54   6.913  -9.485  13.542
  384    HB   THR  54           HB       THR  54   5.682 -10.660  14.981
  385    HG1  THR  54           HG1      THR  54   3.694 -11.436  14.561
  386   1HG2  THR  54          1HG2      THR  54   3.781  -9.540  16.100
  387   2HG2  THR  54          2HG2      THR  54   5.054  -8.349  15.745
  388   3HG2  THR  54          3HG2      THR  54   3.586  -8.412  14.737
  389    H    LYS  55           H        LYS  55   6.430 -11.820  12.757
  390    HA   LYS  55           HA       LYS  55   6.472 -11.682   9.755
  391   1HB   LYS  55          1HB       LYS  55   6.891 -14.091  11.626
  392   2HB   LYS  55          2HB       LYS  55   8.164 -13.044  11.036
  393   1HG   LYS  55          1HG       LYS  55   6.466 -14.275   8.879
  394   2HG   LYS  55          2HG       LYS  55   7.321 -15.437   9.874
  395   1HD   LYS  55          1HD       LYS  55   9.510 -14.094   9.359
  396   2HD   LYS  55          2HD       LYS  55   8.797 -15.064   8.080
  397   1HE   LYS  55          1HE       LYS  55   7.525 -12.689   7.523
  398   2HE   LYS  55          2HE       LYS  55   8.994 -12.045   8.259
  399   1HZ   LYS  55          1HZ       LYS  55   9.100 -12.429   5.806
  400   2HZ   LYS  55          2HZ       LYS  55  10.313 -13.185   6.635
  401   3HZ   LYS  55          3HZ       LYS  55   9.034 -14.060   6.063
  402    H    GLU  56           H        GLU  56   4.580 -13.287  12.315
  403    HA   GLU  56           HA       GLU  56   2.740 -14.778  10.569
  404   1HB   GLU  56          1HB       GLU  56   1.257 -14.818  12.721
  405   2HB   GLU  56          2HB       GLU  56   2.589 -14.007  13.518
  406   1HG   GLU  56          1HG       GLU  56   3.962 -16.135  12.370
  407   2HG   GLU  56          2HG       GLU  56   3.327 -16.116  14.007
  408    H    GLU  57           H        GLU  57   2.763 -11.552  11.982
  409    HA   GLU  57           HA       GLU  57  -0.047 -10.838  11.304
  410   1HB   GLU  57          1HB       GLU  57   2.223  -8.907  12.011
  411   2HB   GLU  57          2HB       GLU  57   0.506  -8.558  12.015
  412   1HG   GLU  57          1HG       GLU  57   1.571 -10.789  13.828
  413   2HG   GLU  57          2HG       GLU  57   1.824  -9.113  14.285
  414    H    LEU  58           H        LEU  58   3.126 -10.543   9.807
  415    HA   LEU  58           HA       LEU  58   2.462  -8.726   7.603
  416   1HB   LEU  58          1HB       LEU  58   4.806  -9.251   8.284
  417   2HB   LEU  58          2HB       LEU  58   4.621 -10.910   7.757
  418    HG   LEU  58           HG       LEU  58   4.292  -8.573   5.787
  419   1HD1  LEU  58          1HD1      LEU  58   5.130 -11.491   5.247
  420   2HD1  LEU  58          2HD1      LEU  58   3.462 -10.915   5.117
  421   3HD1  LEU  58          3HD1      LEU  58   4.714 -10.245   4.043
  422   1HD2  LEU  58          1HD2      LEU  58   6.673  -8.767   5.158
  423   2HD2  LEU  58          2HD2      LEU  58   6.585  -8.435   6.906
  424   3HD2  LEU  58          3HD2      LEU  58   6.930 -10.079   6.337
  425    H    ASP  59           H        ASP  59   2.171 -12.202   8.098
  426    HA   ASP  59           HA       ASP  59   1.450 -12.849   5.274
  427   1HB   ASP  59          1HB       ASP  59   1.644 -14.525   7.814
  428   2HB   ASP  59          2HB       ASP  59   0.801 -15.161   6.420
  429    H    ALA  60           H        ALA  60  -0.215 -12.230   8.312
  430    HA   ALA  60           HA       ALA  60  -2.869 -13.301   7.616
  431   1HB   ALA  60          1HB       ALA  60  -3.672 -12.059   9.620
  432   2HB   ALA  60          2HB       ALA  60  -2.185 -12.961   9.971
  433   3HB   ALA  60          3HB       ALA  60  -2.122 -11.194   9.745
  434    H    ILE  61           H        ILE  61  -1.555  -9.971   7.703
  435    HA   ILE  61           HA       ILE  61  -3.749  -8.426   6.854
  436    HB   ILE  61           HB       ILE  61  -0.784  -8.008   6.323
  437   1HG1  ILE  61          1HG1      ILE  61  -1.546  -7.634   8.673
  438   2HG1  ILE  61          2HG1      ILE  61  -2.820  -6.560   8.138
  439   1HG2  ILE  61          1HG2      ILE  61  -1.264  -5.720   5.412
  440   2HG2  ILE  61          2HG2      ILE  61  -1.946  -6.962   4.365
  441   3HG2  ILE  61          3HG2      ILE  61  -3.013  -6.049   5.457
  442   1HD1  ILE  61          1HD1      ILE  61  -1.213  -4.831   7.381
  443   2HD1  ILE  61          2HD1      ILE  61  -0.898  -5.289   9.069
  444   3HD1  ILE  61          3HD1      ILE  61   0.159  -5.902   7.776
  445    H    ILE  62           H        ILE  62  -1.599 -10.521   5.019
  446    HA   ILE  62           HA       ILE  62  -2.360  -9.722   2.289
  447    HB   ILE  62           HB       ILE  62  -1.173 -12.387   3.218
  448   1HG1  ILE  62          1HG1      ILE  62   0.698 -11.126   3.661
  449   2HG1  ILE  62          2HG1      ILE  62   0.903 -11.112   1.923
  450   1HG2  ILE  62          1HG2      ILE  62  -0.487 -12.729   0.831
  451   2HG2  ILE  62          2HG2      ILE  62  -2.241 -12.612   0.954
  452   3HG2  ILE  62          3HG2      ILE  62  -1.308 -11.221   0.358
  453   1HD1  ILE  62          1HD1      ILE  62  -0.380  -8.823   3.527
  454   2HD1  ILE  62          2HD1      ILE  62   1.210  -8.842   2.735
  455   3HD1  ILE  62          3HD1      ILE  62  -0.268  -8.882   1.746
  456    H    GLU  63           H        GLU  63  -3.380 -12.400   4.421
  457    HA   GLU  63           HA       GLU  63  -5.281 -13.688   2.675
  458   1HB   GLU  63          1HB       GLU  63  -4.681 -14.940   4.559
  459   2HB   GLU  63          2HB       GLU  63  -4.981 -13.635   5.690
  460   1HG   GLU  63          1HG       GLU  63  -7.564 -13.997   4.821
  461   2HG   GLU  63          2HG       GLU  63  -6.869 -14.849   6.190
  462    H    GLU  64           H        GLU  64  -5.583 -10.866   4.756
  463    HA   GLU  64           HA       GLU  64  -8.557 -10.653   4.614
  464   1HB   GLU  64          1HB       GLU  64  -6.992  -9.825   6.528
  465   2HB   GLU  64          2HB       GLU  64  -6.682  -8.422   5.525
  466   1HG   GLU  64          1HG       GLU  64  -8.471  -7.492   6.614
  467   2HG   GLU  64          2HG       GLU  64  -9.461  -8.411   5.493
  468    H    VAL  65           H        VAL  65  -5.769  -9.335   2.925
  469    HA   VAL  65           HA       VAL  65  -7.524  -7.478   1.248
  470    HB   VAL  65           HB       VAL  65  -5.210  -6.860   2.590
  471   1HG1  VAL  65          1HG1      VAL  65  -6.109  -5.377   0.033
  472   2HG1  VAL  65          2HG1      VAL  65  -6.984  -5.297   1.574
  473   3HG1  VAL  65          3HG1      VAL  65  -5.315  -4.686   1.470
  474   1HG2  VAL  65          1HG2      VAL  65  -3.324  -6.493   1.085
  475   2HG2  VAL  65          2HG2      VAL  65  -3.783  -8.204   0.904
  476   3HG2  VAL  65          3HG2      VAL  65  -4.248  -7.033  -0.338
  477    H    ASP  66           H        ASP  66  -7.083 -10.488   1.058
  478    HA   ASP  66           HA       ASP  66  -6.667 -10.561  -1.939
  479   1HB   ASP  66          1HB       ASP  66  -5.215 -12.706  -0.323
  480   2HB   ASP  66          2HB       ASP  66  -4.435 -11.177  -0.657
  481    H    GLU  67           H        GLU  67  -8.910 -10.656  -0.164
  482    HA   GLU  67           HA       GLU  67  -9.996 -13.471  -0.242
  483   1HB   GLU  67          1HB       GLU  67 -11.883 -12.719   0.929
  484   2HB   GLU  67          2HB       GLU  67 -10.535 -11.845   1.631
  485   1HG   GLU  67          1HG       GLU  67 -11.847  -9.985   1.416
  486   2HG   GLU  67          2HG       GLU  67 -11.387  -9.995  -0.278
  487    H    ASP  68           H        ASP  68 -10.199 -10.422  -1.996
  488    HA   ASP  68           HA       ASP  68 -11.883 -11.738  -4.186
  489   1HB   ASP  68          1HB       ASP  68 -13.402  -9.975  -4.392
  490   2HB   ASP  68          2HB       ASP  68 -13.254 -10.170  -2.661
  491    H    GLY  69           H        GLY  69  -9.685  -9.094  -3.253
  492   1HA   GLY  69          1HA       GLY  69  -8.865  -7.953  -5.761
  493   2HA   GLY  69          2HA       GLY  69  -7.771  -8.170  -4.389
  494    H    SER  70           H        SER  70  -7.012  -8.396  -7.068
  495    HA   SER  70           HA       SER  70  -6.604 -11.358  -7.655
  496   1HB   SER  70          1HB       SER  70  -5.457 -10.073  -9.803
  497   2HB   SER  70          2HB       SER  70  -6.652  -8.866  -9.323
  498    HG   SER  70           HG       SER  70  -7.255 -10.678 -10.785
  499    H    GLY  71           H        GLY  71  -5.277  -9.995  -5.431
  500   1HA   GLY  71          1HA       GLY  71  -3.096 -10.080  -4.361
  501   2HA   GLY  71          2HA       GLY  71  -2.532 -11.007  -5.755
  502    H    THR  72           H        THR  72  -3.996  -7.795  -5.869
  503    HA   THR  72           HA       THR  72  -1.378  -6.643  -6.930
  504    HB   THR  72           HB       THR  72  -2.625  -5.007  -8.260
  505    HG1  THR  72           HG1      THR  72  -5.003  -6.367  -7.957
  506   1HG2  THR  72          1HG2      THR  72  -2.138  -6.826  -9.704
  507   2HG2  THR  72          2HG2      THR  72  -3.241  -7.943  -8.872
  508   3HG2  THR  72          3HG2      THR  72  -3.895  -6.641  -9.900
  509    H    ILE  73           H        ILE  73  -0.684  -4.694  -6.165
  510    HA   ILE  73           HA       ILE  73  -2.281  -3.305  -4.000
  511    HB   ILE  73           HB       ILE  73  -0.719  -4.919  -2.914
  512   1HG1  ILE  73          1HG1      ILE  73   0.011  -2.077  -2.051
  513   2HG1  ILE  73          2HG1      ILE  73  -0.201  -3.509  -1.061
  514   1HG2  ILE  73          1HG2      ILE  73   1.706  -4.518  -2.703
  515   2HG2  ILE  73          2HG2      ILE  73   1.307  -4.716  -4.415
  516   3HG2  ILE  73          3HG2      ILE  73   1.620  -3.090  -3.761
  517   1HD1  ILE  73          1HD1      ILE  73  -2.760  -3.405  -1.993
  518   2HD1  ILE  73          2HD1      ILE  73  -2.212  -2.473  -0.583
  519   3HD1  ILE  73          3HD1      ILE  73  -2.340  -1.679  -2.171
  520    H    ASP  74           H        ASP  74  -2.419  -1.224  -4.359
  521    HA   ASP  74           HA       ASP  74  -0.540   0.122  -6.362
  522   1HB   ASP  74          1HB       ASP  74  -2.783   1.804  -5.940
  523   2HB   ASP  74          2HB       ASP  74  -3.382   0.143  -6.221
  524    H    PHE  75           H        PHE  75  -0.329   2.538  -5.899
  525    HA   PHE  75           HA       PHE  75   0.912   2.985  -3.262
  526   1HB   PHE  75          1HB       PHE  75   0.182   5.182  -5.277
  527   2HB   PHE  75          2HB       PHE  75   1.511   4.088  -5.556
  528    HD1  PHE  75           HD1      PHE  75   3.565   4.190  -4.048
  529    HD2  PHE  75           HD2      PHE  75   0.279   6.908  -3.466
  530    HE1  PHE  75           HE1      PHE  75   5.028   5.703  -2.774
  531    HE2  PHE  75           HE2      PHE  75   1.762   8.410  -2.197
  532    HZ   PHE  75           HZ       PHE  75   4.121   7.792  -1.813
  533    H    GLU  76           H        GLU  76  -2.222   3.658  -4.711
  534    HA   GLU  76           HA       GLU  76  -3.282   5.578  -2.783
  535   1HB   GLU  76          1HB       GLU  76  -4.562   3.745  -4.827
  536   2HB   GLU  76          2HB       GLU  76  -5.590   4.486  -3.617
  537   1HG   GLU  76          1HG       GLU  76  -3.972   5.844  -5.832
  538   2HG   GLU  76          2HG       GLU  76  -4.395   6.772  -4.403
  539    H    GLU  77           H        GLU  77  -4.167   2.133  -3.131
  540    HA   GLU  77           HA       GLU  77  -5.370   1.714  -0.532
  541   1HB   GLU  77          1HB       GLU  77  -3.867  -0.466  -2.064
  542   2HB   GLU  77          2HB       GLU  77  -5.438   0.134  -2.558
  543   1HG   GLU  77          1HG       GLU  77  -4.728  -1.448  -0.026
  544   2HG   GLU  77          2HG       GLU  77  -6.207  -0.502  -0.079
  545    H    PHE  78           H        PHE  78  -2.015   1.806  -1.552
  546    HA   PHE  78           HA       PHE  78  -0.763   0.474   0.727
  547   1HB   PHE  78          1HB       PHE  78   0.741   0.596  -1.008
  548   2HB   PHE  78          2HB       PHE  78   0.194   2.155  -1.568
  549    HD1  PHE  78           HD1      PHE  78   2.171   0.539   1.237
  550    HD2  PHE  78           HD2      PHE  78   1.467   4.140  -1.010
  551    HE1  PHE  78           HE1      PHE  78   4.196   1.550   2.203
  552    HE2  PHE  78           HE2      PHE  78   3.493   5.136  -0.030
  553    HZ   PHE  78           HZ       PHE  78   4.856   3.850   1.580
  554    H    LEU  79           H        LEU  79  -1.692   3.822   0.064
  555    HA   LEU  79           HA       LEU  79  -0.568   5.031   2.542
  556   1HB   LEU  79          1HB       LEU  79  -2.136   6.982   1.946
  557   2HB   LEU  79          2HB       LEU  79  -2.685   6.057   0.565
  558    HG   LEU  79           HG       LEU  79  -0.097   5.970  -0.108
  559   1HD1  LEU  79          1HD1      LEU  79  -0.370   8.081  -1.415
  560   2HD1  LEU  79          2HD1      LEU  79  -1.867   7.130  -1.447
  561   3HD1  LEU  79          3HD1      LEU  79  -1.752   8.564  -0.397
  562   1HD2  LEU  79          1HD2      LEU  79  -0.122   8.449   1.742
  563   2HD2  LEU  79          2HD2      LEU  79   0.843   6.971   1.979
  564   3HD2  LEU  79          3HD2      LEU  79   1.174   8.024   0.596
  565    H    VAL  80           H        VAL  80  -3.605   3.560   1.536
  566    HA   VAL  80           HA       VAL  80  -5.316   4.458   3.731
  567    HB   VAL  80           HB       VAL  80  -5.618   2.018   1.910
  568   1HG1  VAL  80          1HG1      VAL  80  -7.170   4.679   1.803
  569   2HG1  VAL  80          2HG1      VAL  80  -5.736   4.359   0.820
  570   3HG1  VAL  80          3HG1      VAL  80  -7.187   3.352   0.613
  571   1HG2  VAL  80          1HG2      VAL  80  -7.956   1.803   2.615
  572   2HG2  VAL  80          2HG2      VAL  80  -6.961   1.724   4.087
  573   3HG2  VAL  80          3HG2      VAL  80  -7.834   3.213   3.695
  574    H    MET  81           H        MET  81  -3.130   1.724   3.284
  575    HA   MET  81           HA       MET  81  -3.943   0.255   5.766
  576   1HB   MET  81          1HB       MET  81  -2.936  -0.746   3.529
  577   2HB   MET  81          2HB       MET  81  -2.597  -1.480   5.086
  578   1HG   MET  81          1HG       MET  81  -0.703   0.242   3.389
  579   2HG   MET  81          2HG       MET  81  -0.378  -0.061   5.103
  580   1HE   MET  81          1HE       MET  81   1.488  -2.448   5.493
  581   2HE   MET  81          2HE       MET  81  -0.094  -2.061   6.233
  582   3HE   MET  81          3HE       MET  81   0.207  -3.698   5.579
  583    H    MET  82           H        MET  82  -1.453   2.519   4.733
  584    HA   MET  82           HA       MET  82   0.476   2.252   6.884
  585   1HB   MET  82          1HB       MET  82  -0.148   4.440   4.888
  586   2HB   MET  82          2HB       MET  82   0.791   4.895   6.298
  587   1HG   MET  82          1HG       MET  82   1.577   2.620   4.366
  588   2HG   MET  82          2HG       MET  82   2.225   4.267   4.326
  589   1HE   MET  82          1HE       MET  82   3.736   4.463   8.100
  590   2HE   MET  82          2HE       MET  82   2.907   5.408   6.828
  591   3HE   MET  82          3HE       MET  82   1.951   4.407   7.959
  592    H    VAL  83           H        VAL  83  -2.137   4.670   6.498
  593    HA   VAL  83           HA       VAL  83  -2.013   5.925   9.090
  594    HB   VAL  83           HB       VAL  83  -4.188   5.704   7.017
  595   1HG1  VAL  83          1HG1      VAL  83  -3.060   8.195   8.441
  596   2HG1  VAL  83          2HG1      VAL  83  -2.339   7.506   6.979
  597   3HG1  VAL  83          3HG1      VAL  83  -4.003   8.132   6.929
  598   1HG2  VAL  83          1HG2      VAL  83  -5.886   6.867   8.329
  599   2HG2  VAL  83          2HG2      VAL  83  -5.429   5.428   9.268
  600   3HG2  VAL  83          3HG2      VAL  83  -4.808   7.016   9.740
  601    NH1  ARG  84           NH1      ARG  84  -7.105  -2.874   7.476
  602    NH2  ARG  84           NH2      ARG  84  -6.347  -2.022   5.511
  603    H    ARG  84           H        ARG  84  -3.785   3.043   7.983
  604    HA   ARG  84           HA       ARG  84  -5.321   2.243  10.242
  605   1HB   ARG  84          1HB       ARG  84  -4.869   1.026   7.896
  606   2HB   ARG  84          2HB       ARG  84  -3.654   0.140   8.807
  607   1HG   ARG  84          1HG       ARG  84  -5.274  -1.304   9.432
  608   2HG   ARG  84          2HG       ARG  84  -5.872  -0.053  10.524
  609   1HD   ARG  84          1HD       ARG  84  -7.744  -0.875   9.130
  610   2HD   ARG  84          2HD       ARG  84  -7.428   0.816   8.745
  611    HE   ARG  84           HE       ARG  84  -6.737   0.169   6.519
  612   1HH1  ARG  84          1HH1      ARG  84  -7.060  -3.785   7.006
  613   2HH1  ARG  84          2HH1      ARG  84  -7.398  -2.694   8.443
  614   1HH2  ARG  84          1HH2      ARG  84  -5.974  -1.210   5.008
  615   2HH2  ARG  84          2HH2      ARG  84  -6.452  -2.976   5.149
  616    H    GLN  85           H        GLN  85  -1.881   1.443   9.627
  617    HA   GLN  85           HA       GLN  85  -1.429  -0.015  12.152
  618   1HB   GLN  85          1HB       GLN  85   1.121   0.794  11.397
  619   2HB   GLN  85          2HB       GLN  85   0.268   0.936   9.870
  620   1HG   GLN  85          1HG       GLN  85   1.098  -1.259   9.782
  621   2HG   GLN  85          2HG       GLN  85  -0.575  -1.508  10.239
  622   1HE2  GLN  85          1HE2      GLN  85   0.655  -3.581  12.890
  623   2HE2  GLN  85          2HE2      GLN  85  -0.222  -3.478  11.282
  624    H    MET  86           H        MET  86  -1.124   3.339  11.127
  625    HA   MET  86           HA       MET  86   0.601   4.434  13.191
  626   1HB   MET  86          1HB       MET  86  -1.608   6.248  12.267
  627   2HB   MET  86          2HB       MET  86  -0.681   5.504  10.978
  628   1HG   MET  86          1HG       MET  86   1.312   6.644  11.525
  629   2HG   MET  86          2HG       MET  86   0.901   6.787  13.242
  630   1HE   MET  86          1HE       MET  86   1.347   8.264  10.067
  631   2HE   MET  86          2HE       MET  86  -0.328   8.566   9.518
  632   3HE   MET  86          3HE       MET  86   0.656   9.914  10.161
  633    H    LYS  87           H        LYS  87  -2.863   3.757  13.095
  634    HA   LYS  87           HA       LYS  87  -3.580   5.020  15.699
  635   1HB   LYS  87          1HB       LYS  87  -5.337   4.734  14.023
  636   2HB   LYS  87          2HB       LYS  87  -5.071   3.007  13.915
  637   1HG   LYS  87          1HG       LYS  87  -6.429   2.559  15.694
  638   2HG   LYS  87          2HG       LYS  87  -5.719   3.808  16.696
  639   1HD   LYS  87          1HD       LYS  87  -8.069   4.057  14.737
  640   2HD   LYS  87          2HD       LYS  87  -8.024   4.383  16.463
  641   1HE   LYS  87          1HE       LYS  87  -6.097   6.161  15.145
  642   2HE   LYS  87          2HE       LYS  87  -7.655   6.293  14.327
  643   1HZ   LYS  87          1HZ       LYS  87  -7.051   7.633  16.534
  644   2HZ   LYS  87          2HZ       LYS  87  -8.605   7.207  16.170
  645   3HZ   LYS  87          3HZ       LYS  87  -7.735   6.313  17.254
  646    H    GLU  88           H        GLU  88  -3.417   1.598  14.625
  647    HA   GLU  88           HA       GLU  88  -1.726   0.502  16.647
  648   1HB   GLU  88          1HB       GLU  88  -3.505  -0.552  18.225
  649   2HB   GLU  88          2HB       GLU  88  -2.944   1.084  18.510
  650   1HG   GLU  88          1HG       GLU  88  -5.126   1.727  18.612
  651   2HG   GLU  88          2HG       GLU  88  -5.225   1.493  16.874
  652    H    ASP  89           H        ASP  89  -2.530  -1.923  17.138
  653    HA   ASP  89           HA       ASP  89  -4.236  -3.305  15.161
  654   1HB   ASP  89          1HB       ASP  89  -1.396  -4.111  14.584
  655   2HB   ASP  89          2HB       ASP  89  -1.866  -2.542  13.975
  656    H    ALA  90           H        ALA  90  -1.059  -4.089  16.594
  657    HA   ALA  90           HA       ALA  90  -0.375  -5.688  18.266
  658   1HB   ALA  90          1HB       ALA  90  -3.113  -5.793  19.550
  659   2HB   ALA  90          2HB       ALA  90  -1.519  -5.547  20.291
  660   3HB   ALA  90          3HB       ALA  90  -2.346  -4.187  19.493
   
  Start of MODEL          40
 Raw file had  660 H/Q atoms
  Start of MODEL   40
    1   1H    ALA   1          1H        ALA   1 -18.620   2.309  13.123
    2   2H    ALA   1          2H        ALA   1 -19.503   2.664  11.737
    3   3H    ALA   1          3H        ALA   1 -20.132   1.612  12.888
    4    HA   ALA   1           HA       ALA   1 -17.548   0.990  11.684
    5   1HB   ALA   1          1HB       ALA   1 -19.789  -0.999  12.278
    6   2HB   ALA   1          2HB       ALA   1 -18.032  -1.234  12.354
    7   3HB   ALA   1          3HB       ALA   1 -18.863  -0.310  13.632
    8    H    SER   2           H        SER   2 -18.153   2.279   9.764
    9    HA   SER   2           HA       SER   2 -19.215   0.557   7.577
   10   1HB   SER   2          1HB       SER   2 -21.001   2.332   6.870
   11   2HB   SER   2          2HB       SER   2 -21.404   1.157   8.124
   12    HG   SER   2           HG       SER   2 -20.189   3.500   8.985
   13    H    MET   3           H        MET   3 -17.271   0.904   6.604
   14    HA   MET   3           HA       MET   3 -16.569   3.751   5.684
   15   1HB   MET   3          1HB       MET   3 -14.179   2.598   5.317
   16   2HB   MET   3          2HB       MET   3 -14.643   3.339   6.837
   17   1HG   MET   3          1HG       MET   3 -14.132   0.441   6.218
   18   2HG   MET   3          2HG       MET   3 -15.509   0.729   7.293
   19   1HE   MET   3          1HE       MET   3 -11.479   2.320   7.130
   20   2HE   MET   3          2HE       MET   3 -11.104   0.915   8.171
   21   3HE   MET   3          3HE       MET   3 -11.913   0.665   6.597
   22    H    THR   4           H        THR   4 -18.207   3.231   4.061
   23    HA   THR   4           HA       THR   4 -17.983   1.082   2.098
   24    HB   THR   4           HB       THR   4 -20.100   2.156   2.321
   25    HG1  THR   4           HG1      THR   4 -19.943   1.468   0.340
   26   1HG2  THR   4          1HG2      THR   4 -20.657   4.451   1.607
   27   2HG2  THR   4          2HG2      THR   4 -19.481   4.527   2.938
   28   3HG2  THR   4          3HG2      THR   4 -18.955   4.826   1.262
   29    H    ASP   5           H        ASP   5 -16.579   4.303   2.329
   30    HA   ASP   5           HA       ASP   5 -14.431   3.654   0.353
   31   1HB   ASP   5          1HB       ASP   5 -16.471   5.815  -0.422
   32   2HB   ASP   5          2HB       ASP   5 -14.887   5.660  -1.146
   33    H    GLN   6           H        GLN   6 -14.316   4.129   3.007
   34    HA   GLN   6           HA       GLN   6 -13.421   6.975   3.548
   35   1HB   GLN   6          1HB       GLN   6 -13.623   4.461   5.292
   36   2HB   GLN   6          2HB       GLN   6 -12.720   5.869   5.823
   37   1HG   GLN   6          1HG       GLN   6 -14.782   7.302   5.622
   38   2HG   GLN   6          2HG       GLN   6 -15.707   5.924   5.065
   39   1HE2  GLN   6          1HE2      GLN   6 -16.569   5.189   8.452
   40   2HE2  GLN   6          2HE2      GLN   6 -17.100   5.552   6.733
   41    H    GLN   7           H        GLN   7 -12.035   5.874   1.446
   42    HA   GLN   7           HA       GLN   7  -9.373   4.787   2.345
   43   1HB   GLN   7          1HB       GLN   7  -8.796   4.585   0.039
   44   2HB   GLN   7          2HB       GLN   7 -10.477   4.100   0.179
   45   1HG   GLN   7          1HG       GLN   7 -10.216   6.994  -0.482
   46   2HG   GLN   7          2HG       GLN   7  -9.409   5.975  -1.655
   47   1HE2  GLN   7          1HE2      GLN   7 -12.603   4.362  -2.657
   48   2HE2  GLN   7          2HE2      GLN   7 -10.826   3.995  -2.379
   49    H    ALA   8           H        ALA   8 -10.811   7.838   1.286
   50    HA   ALA   8           HA       ALA   8  -8.302   9.380   0.990
   51   1HB   ALA   8          1HB       ALA   8  -9.653  11.179   0.376
   52   2HB   ALA   8          2HB       ALA   8 -10.727   9.820  -0.010
   53   3HB   ALA   8          3HB       ALA   8 -10.979  10.756   1.485
   54    H    GLU   9           H        GLU   9 -10.472   8.620   3.632
   55    HA   GLU   9           HA       GLU   9 -10.178  10.649   5.559
   56   1HB   GLU   9          1HB       GLU   9 -11.528   8.533   5.825
   57   2HB   GLU   9          2HB       GLU   9 -10.063   7.663   6.236
   58   1HG   GLU   9          1HG       GLU   9 -10.154   9.949   8.017
   59   2HG   GLU   9          2HG       GLU   9 -10.304   8.246   8.418
   60    H    ALA  10           H        ALA  10  -7.767   8.313   4.521
   61    HA   ALA  10           HA       ALA  10  -5.838   8.761   6.739
   62   1HB   ALA  10          1HB       ALA  10  -4.310   7.308   5.413
   63   2HB   ALA  10          2HB       ALA  10  -5.926   6.589   5.551
   64   3HB   ALA  10          3HB       ALA  10  -5.421   7.354   4.023
   65    NH1  ARG  11           NH1      ARG  11  -5.540  15.215  -0.564
   66    NH2  ARG  11           NH2      ARG  11  -7.413  14.646  -1.717
   67    H    ARG  11           H        ARG  11  -6.039   9.747   3.315
   68    HA   ARG  11           HA       ARG  11  -3.466  11.091   3.033
   69   1HB   ARG  11          1HB       ARG  11  -6.066  11.770   1.528
   70   2HB   ARG  11          2HB       ARG  11  -4.997  10.432   1.130
   71   1HG   ARG  11          1HG       ARG  11  -4.132  13.386   1.111
   72   2HG   ARG  11          2HG       ARG  11  -3.093  12.020   0.700
   73   1HD   ARG  11          1HD       ARG  11  -4.604  11.405  -1.223
   74   2HD   ARG  11          2HD       ARG  11  -3.944  13.030  -1.390
   75    HE   ARG  11           HE       ARG  11  -6.831  12.355  -0.792
   76   1HH1  ARG  11          1HH1      ARG  11  -7.608  15.653  -1.741
   77   2HH1  ARG  11          2HH1      ARG  11  -7.972  13.901  -2.145
   78   1HH2  ARG  11          1HH2      ARG  11  -4.649  14.911  -0.156
   79   2HH2  ARG  11          2HH2      ARG  11  -5.894  16.178  -0.618
   80    H    ALA  12           H        ALA  12  -6.646  12.215   4.122
   81    HA   ALA  12           HA       ALA  12  -6.056  15.109   4.284
   82   1HB   ALA  12          1HB       ALA  12  -8.137  15.266   5.635
   83   2HB   ALA  12          2HB       ALA  12  -8.388  14.282   4.179
   84   3HB   ALA  12          3HB       ALA  12  -8.223  13.492   5.767
   85    H    PHE  13           H        PHE  13  -5.642  12.343   6.425
   86    HA   PHE  13           HA       PHE  13  -4.977  13.804   8.896
   87   1HB   PHE  13          1HB       PHE  13  -4.933  10.949   7.978
   88   2HB   PHE  13          2HB       PHE  13  -5.611  11.653   9.422
   89    HD1  PHE  13           HD1      PHE  13  -2.451  10.356   7.874
   90    HD2  PHE  13           HD2      PHE  13  -4.231  11.842  11.501
   91    HE1  PHE  13           HE1      PHE  13  -0.667   9.296   9.198
   92    HE2  PHE  13           HE2      PHE  13  -2.440  10.775  12.806
   93    HZ   PHE  13           HZ       PHE  13  -0.632   9.541  11.658
   94    H    LEU  14           H        LEU  14  -3.182  12.704   6.085
   95    HA   LEU  14           HA       LEU  14  -0.488  13.481   7.264
   96   1HB   LEU  14          1HB       LEU  14   0.549  12.231   5.568
   97   2HB   LEU  14          2HB       LEU  14  -0.767  12.433   4.432
   98    HG   LEU  14           HG       LEU  14  -2.008  10.907   6.436
   99   1HD1  LEU  14          1HD1      LEU  14  -1.834   9.007   4.821
  100   2HD1  LEU  14          2HD1      LEU  14  -2.196  10.519   3.970
  101   3HD1  LEU  14          3HD1      LEU  14  -0.546   9.851   3.925
  102   1HD2  LEU  14          1HD2      LEU  14   0.902   9.886   6.197
  103   2HD2  LEU  14          2HD2      LEU  14   0.126  10.513   7.672
  104   3HD2  LEU  14          3HD2      LEU  14  -0.450   9.003   6.951
  105    H    SER  15           H        SER  15   0.960  14.550   5.494
  106    HA   SER  15           HA       SER  15  -0.483  17.019   4.397
  107   1HB   SER  15          1HB       SER  15   2.498  16.840   5.078
  108   2HB   SER  15          2HB       SER  15   1.269  17.277   6.268
  109    HG   SER  15           HG       SER  15   2.310  18.699   4.196
  110    H    GLU  16           H        GLU  16   0.903  18.034   2.565
  111    HA   GLU  16           HA       GLU  16   0.901  16.148   0.271
  112   1HB   GLU  16          1HB       GLU  16   1.269  19.130   0.581
  113   2HB   GLU  16          2HB       GLU  16   1.906  18.390  -0.874
  114   1HG   GLU  16          1HG       GLU  16  -0.357  17.509  -1.478
  115   2HG   GLU  16          2HG       GLU  16  -1.024  18.079   0.043
  116    H    GLU  17           H        GLU  17   3.304  17.774   2.252
  117    HA   GLU  17           HA       GLU  17   5.665  17.208   0.530
  118   1HB   GLU  17          1HB       GLU  17   6.035  19.065   1.877
  119   2HB   GLU  17          2HB       GLU  17   5.336  18.342   3.312
  120   1HG   GLU  17          1HG       GLU  17   7.384  16.825   3.517
  121   2HG   GLU  17          2HG       GLU  17   8.079  17.602   2.104
  122    H    MET  18           H        MET  18   4.034  15.625   3.219
  123    HA   MET  18           HA       MET  18   6.040  13.558   3.822
  124   1HB   MET  18          1HB       MET  18   4.413  13.990   5.529
  125   2HB   MET  18          2HB       MET  18   3.057  13.787   4.435
  126   1HG   MET  18          1HG       MET  18   3.195  11.396   4.462
  127   2HG   MET  18          2HG       MET  18   4.886  11.393   4.988
  128   1HE   MET  18          1HE       MET  18   4.769  12.379   8.760
  129   2HE   MET  18          2HE       MET  18   5.761  12.100   7.299
  130   3HE   MET  18          3HE       MET  18   4.881  13.644   7.496
  131    H    ILE  19           H        ILE  19   3.346  13.826   1.566
  132    HA   ILE  19           HA       ILE  19   3.094  11.024   0.752
  133    HB   ILE  19           HB       ILE  19   2.299  13.606  -0.664
  134   1HG1  ILE  19          1HG1      ILE  19   0.668  13.304   1.000
  135   2HG1  ILE  19          2HG1      ILE  19  -0.064  12.437  -0.333
  136   1HG2  ILE  19          1HG2      ILE  19   1.131  12.255  -2.420
  137   2HG2  ILE  19          2HG2      ILE  19   2.866  11.948  -2.468
  138   3HG2  ILE  19          3HG2      ILE  19   1.782  10.748  -1.727
  139   1HD1  ILE  19          1HD1      ILE  19   1.390  11.084   2.015
  140   2HD1  ILE  19          2HD1      ILE  19  -0.354  11.106   1.681
  141   3HD1  ILE  19          3HD1      ILE  19   0.742  10.227   0.589
  142    H    ALA  20           H        ALA  20   4.982  13.761  -0.539
  143    HA   ALA  20           HA       ALA  20   6.112  12.576  -2.907
  144   1HB   ALA  20          1HB       ALA  20   7.094  14.780  -1.040
  145   2HB   ALA  20          2HB       ALA  20   8.081  14.261  -2.420
  146   3HB   ALA  20          3HB       ALA  20   6.446  14.917  -2.692
  147    H    GLU  21           H        GLU  21   7.065  12.324   0.487
  148    HA   GLU  21           HA       GLU  21   9.690  11.009   0.008
  149   1HB   GLU  21          1HB       GLU  21   8.075  11.450   2.567
  150   2HB   GLU  21          2HB       GLU  21   9.593  10.574   2.550
  151   1HG   GLU  21          1HG       GLU  21   9.082  13.543   2.191
  152   2HG   GLU  21          2HG       GLU  21  10.312  12.727   3.142
  153    H    PHE  22           H        PHE  22   6.398  10.003   0.751
  154    HA   PHE  22           HA       PHE  22   6.854   7.223   1.528
  155   1HB   PHE  22          1HB       PHE  22   4.358   7.054   0.394
  156   2HB   PHE  22          2HB       PHE  22   4.452   8.788   0.552
  157    HD1  PHE  22           HD1      PHE  22   6.297   6.739   3.058
  158    HD2  PHE  22           HD2      PHE  22   2.566   8.712   2.211
  159    HE1  PHE  22           HE1      PHE  22   5.566   6.376   5.378
  160    HE2  PHE  22           HE2      PHE  22   1.843   8.314   4.529
  161    HZ   PHE  22           HZ       PHE  22   3.364   7.209   6.133
  162    H    LYS  23           H        LYS  23   5.700   8.530  -1.600
  163    HA   LYS  23           HA       LYS  23   5.883   6.218  -3.263
  164   1HB   LYS  23          1HB       LYS  23   6.724   8.234  -5.023
  165   2HB   LYS  23          2HB       LYS  23   5.075   7.731  -4.725
  166   1HG   LYS  23          1HG       LYS  23   4.830   9.528  -2.981
  167   2HG   LYS  23          2HG       LYS  23   6.502  10.002  -3.208
  168   1HD   LYS  23          1HD       LYS  23   4.932  11.554  -4.395
  169   2HD   LYS  23          2HD       LYS  23   6.071  10.786  -5.488
  170   1HE   LYS  23          1HE       LYS  23   4.011   8.978  -5.735
  171   2HE   LYS  23          2HE       LYS  23   3.067  10.418  -5.346
  172   1HZ   LYS  23          1HZ       LYS  23   3.266  10.655  -7.590
  173   2HZ   LYS  23          2HZ       LYS  23   4.667  11.438  -7.199
  174   3HZ   LYS  23          3HZ       LYS  23   4.712   9.866  -7.705
  175    H    ALA  24           H        ALA  24   8.411   8.419  -2.161
  176    HA   ALA  24           HA       ALA  24  10.631   7.886  -3.839
  177   1HB   ALA  24          1HB       ALA  24  12.104   8.442  -1.914
  178   2HB   ALA  24          2HB       ALA  24  10.718   9.545  -2.001
  179   3HB   ALA  24          3HB       ALA  24  10.748   8.248  -0.778
  180    H    ALA  25           H        ALA  25   9.937   6.143  -0.785
  181    HA   ALA  25           HA       ALA  25  11.926   4.006  -1.177
  182   1HB   ALA  25          1HB       ALA  25  10.866   2.936   0.803
  183   2HB   ALA  25          2HB       ALA  25  11.151   4.663   1.084
  184   3HB   ALA  25          3HB       ALA  25   9.505   4.080   0.734
  185    H    PHE  26           H        PHE  26   8.537   4.406  -2.003
  186    HA   PHE  26           HA       PHE  26   7.716   1.674  -2.474
  187   1HB   PHE  26          1HB       PHE  26   6.706   4.098  -4.072
  188   2HB   PHE  26          2HB       PHE  26   6.238   3.796  -2.420
  189    HD1  PHE  26           HD1      PHE  26   5.141   1.372  -1.947
  190    HD2  PHE  26           HD2      PHE  26   5.503   3.090  -5.874
  191    HE1  PHE  26           HE1      PHE  26   3.314  -0.066  -2.757
  192    HE2  PHE  26           HE2      PHE  26   3.674   1.646  -6.665
  193    HZ   PHE  26           HZ       PHE  26   2.551   0.096  -5.102
  194    H    ASP  27           H        ASP  27   9.563   3.946  -4.432
  195    HA   ASP  27           HA       ASP  27   9.374   2.543  -7.011
  196   1HB   ASP  27          1HB       ASP  27  10.015   5.025  -6.646
  197   2HB   ASP  27          2HB       ASP  27  11.623   4.473  -6.236
  198    H    MET  28           H        MET  28  11.514   2.317  -4.240
  199    HA   MET  28           HA       MET  28  13.845   1.021  -5.267
  200   1HB   MET  28          1HB       MET  28  12.477   0.837  -2.564
  201   2HB   MET  28          2HB       MET  28  13.710  -0.354  -2.938
  202   1HG   MET  28          1HG       MET  28  14.457   1.825  -1.698
  203   2HG   MET  28          2HG       MET  28  15.464   1.260  -3.041
  204   1HE   MET  28          1HE       MET  28  16.451   4.154  -3.247
  205   2HE   MET  28          2HE       MET  28  15.165   5.342  -2.883
  206   3HE   MET  28          3HE       MET  28  15.508   4.021  -1.729
  207    H    PHE  29           H        PHE  29  10.639  -0.294  -4.614
  208    HA   PHE  29           HA       PHE  29  11.429  -3.120  -5.413
  209   1HB   PHE  29          1HB       PHE  29   8.874  -3.552  -4.953
  210   2HB   PHE  29          2HB       PHE  29   8.826  -1.941  -4.292
  211    HD1  PHE  29           HD1      PHE  29  11.316  -1.643  -2.723
  212    HD2  PHE  29           HD2      PHE  29   8.749  -5.077  -3.113
  213    HE1  PHE  29           HE1      PHE  29  12.086  -2.482  -0.541
  214    HE2  PHE  29           HE2      PHE  29   9.532  -5.896  -0.929
  215    HZ   PHE  29           HZ       PHE  29  11.193  -4.603   0.361
  216    H    ASP  30           H        ASP  30   9.345  -0.427  -6.428
  217    HA   ASP  30           HA       ASP  30   8.433  -1.809  -8.937
  218   1HB   ASP  30          1HB       ASP  30   6.939  -0.219  -7.591
  219   2HB   ASP  30          2HB       ASP  30   7.925   1.111  -8.151
  220    H    ALA  31           H        ALA  31  10.167  -2.166 -10.196
  221    HA   ALA  31           HA       ALA  31  12.400  -0.373 -10.789
  222   1HB   ALA  31          1HB       ALA  31  12.861  -1.903 -12.709
  223   2HB   ALA  31          2HB       ALA  31  12.523  -2.803 -11.218
  224   3HB   ALA  31          3HB       ALA  31  11.282  -2.697 -12.494
  225    H    ASP  32           H        ASP  32   9.824  -1.338 -13.064
  226    HA   ASP  32           HA       ASP  32   9.046   1.463 -13.767
  227   1HB   ASP  32          1HB       ASP  32  10.961  -0.031 -15.568
  228   2HB   ASP  32          2HB       ASP  32   9.645   0.817 -16.347
  229    H    GLY  33           H        GLY  33   6.973   0.977 -13.437
  230   1HA   GLY  33          1HA       GLY  33   5.261  -1.144 -13.704
  231   2HA   GLY  33          2HA       GLY  33   5.586  -0.879 -15.420
  232    H    GLY  34           H        GLY  34   5.218   1.520 -12.808
  233   1HA   GLY  34          1HA       GLY  34   3.897   3.647 -14.065
  234   2HA   GLY  34          2HA       GLY  34   2.565   2.501 -13.879
  235    H    GLY  35           H        GLY  35   3.407   1.326 -11.424
  236   1HA   GLY  35          1HA       GLY  35   4.064   2.740  -9.109
  237   2HA   GLY  35          2HA       GLY  35   2.494   3.462  -9.476
  238    H    ASP  36           H        ASP  36   3.999   0.236  -9.260
  239    HA   ASP  36           HA       ASP  36   1.919  -0.814  -7.372
  240   1HB   ASP  36          1HB       ASP  36   0.825  -2.417  -8.710
  241   2HB   ASP  36          2HB       ASP  36   0.782  -0.945  -9.652
  242    H    ILE  37           H        ILE  37   2.526  -2.762  -6.452
  243    HA   ILE  37           HA       ILE  37   5.100  -4.161  -7.264
  244    HB   ILE  37           HB       ILE  37   6.104  -4.013  -5.012
  245   1HG1  ILE  37          1HG1      ILE  37   3.764  -2.126  -4.390
  246   2HG1  ILE  37          2HG1      ILE  37   5.312  -1.863  -3.616
  247   1HG2  ILE  37          1HG2      ILE  37   7.095  -1.736  -5.286
  248   2HG2  ILE  37          2HG2      ILE  37   6.879  -2.501  -6.867
  249   3HG2  ILE  37          3HG2      ILE  37   5.746  -1.236  -6.335
  250   1HD1  ILE  37          1HD1      ILE  37   5.291  -4.091  -2.538
  251   2HD1  ILE  37          2HD1      ILE  37   3.794  -3.205  -2.175
  252   3HD1  ILE  37          3HD1      ILE  37   3.776  -4.513  -3.380
  253    H    SER  38           H        SER  38   5.300  -6.203  -6.181
  254    HA   SER  38           HA       SER  38   2.985  -7.894  -5.990
  255   1HB   SER  38          1HB       SER  38   5.191  -8.667  -4.134
  256   2HB   SER  38          2HB       SER  38   5.727  -8.290  -5.774
  257    HG   SER  38           HG       SER  38   5.061 -10.464  -5.425
  258    H    THR  39           H        THR  39   1.668  -8.532  -4.356
  259    HA   THR  39           HA       THR  39   1.167  -6.622  -2.106
  260    HB   THR  39           HB       THR  39  -0.666  -7.721  -3.502
  261    HG1  THR  39           HG1      THR  39  -0.515  -7.009  -0.982
  262   1HG2  THR  39          1HG2      THR  39  -1.614  -9.867  -2.777
  263   2HG2  THR  39          2HG2      THR  39   0.052 -10.142  -3.335
  264   3HG2  THR  39          3HG2      THR  39  -0.313 -10.112  -1.589
  265    H    LYS  40           H        LYS  40   2.540  -9.823  -2.585
  266    HA   LYS  40           HA       LYS  40   2.644 -10.716   0.213
  267   1HB   LYS  40          1HB       LYS  40   3.176 -11.937  -2.201
  268   2HB   LYS  40          2HB       LYS  40   3.539 -12.620  -0.631
  269   1HG   LYS  40          1HG       LYS  40   5.701 -10.849  -1.750
  270   2HG   LYS  40          2HG       LYS  40   5.834 -12.364  -0.878
  271   1HD   LYS  40          1HD       LYS  40   4.864 -12.261  -3.806
  272   2HD   LYS  40          2HD       LYS  40   6.567 -12.289  -3.377
  273   1HE   LYS  40          1HE       LYS  40   6.045 -14.466  -1.997
  274   2HE   LYS  40          2HE       LYS  40   4.508 -14.514  -2.863
  275   1HZ   LYS  40          1HZ       LYS  40   5.568 -14.975  -4.838
  276   2HZ   LYS  40          2HZ       LYS  40   6.971 -14.195  -4.448
  277   3HZ   LYS  40          3HZ       LYS  40   6.646 -15.680  -3.803
  278    H    GLU  41           H        GLU  41   4.709  -8.728  -1.830
  279    HA   GLU  41           HA       GLU  41   7.022  -8.670   0.090
  280   1HB   GLU  41          1HB       GLU  41   6.591  -7.149  -2.535
  281   2HB   GLU  41          2HB       GLU  41   8.042  -7.049  -1.558
  282   1HG   GLU  41          1HG       GLU  41   7.320  -9.877  -2.229
  283   2HG   GLU  41          2HG       GLU  41   7.542  -8.878  -3.655
  284    H    LEU  42           H        LEU  42   4.313  -6.641  -0.884
  285    HA   LEU  42           HA       LEU  42   4.771  -4.073   0.022
  286   1HB   LEU  42          1HB       LEU  42   2.616  -4.194  -0.718
  287   2HB   LEU  42          2HB       LEU  42   2.349  -5.800  -0.074
  288    HG   LEU  42           HG       LEU  42   1.933  -4.849   2.219
  289   1HD1  LEU  42          1HD1      LEU  42   1.688  -2.369   2.537
  290   2HD1  LEU  42          2HD1      LEU  42   3.353  -2.803   2.121
  291   3HD1  LEU  42          3HD1      LEU  42   2.291  -2.083   0.885
  292   1HD2  LEU  42          1HD2      LEU  42   0.183  -3.538   0.029
  293   2HD2  LEU  42          2HD2      LEU  42  -0.023  -5.179   0.690
  294   3HD2  LEU  42          3HD2      LEU  42  -0.274  -3.770   1.737
  295    H    GLY  43           H        GLY  43   4.118  -6.894   2.074
  296   1HA   GLY  43          1HA       GLY  43   4.012  -5.840   4.739
  297   2HA   GLY  43          2HA       GLY  43   4.788  -7.377   4.342
  298    H    THR  44           H        THR  44   7.016  -7.291   3.519
  299    HA   THR  44           HA       THR  44   8.940  -6.247   5.201
  300    HB   THR  44           HB       THR  44   9.101  -7.023   2.300
  301    HG1  THR  44           HG1      THR  44  10.412  -8.554   3.181
  302   1HG2  THR  44          1HG2      THR  44  11.582  -6.713   2.250
  303   2HG2  THR  44          2HG2      THR  44  10.741  -5.149   2.308
  304   3HG2  THR  44          3HG2      THR  44  11.512  -5.799   3.778
  305    H    VAL  45           H        VAL  45   7.584  -4.584   2.377
  306    HA   VAL  45           HA       VAL  45   9.359  -2.316   2.163
  307    HB   VAL  45           HB       VAL  45   7.078  -3.129   0.792
  308   1HG1  VAL  45          1HG1      VAL  45   5.542  -1.166   0.664
  309   2HG1  VAL  45          2HG1      VAL  45   5.528  -1.853   2.293
  310   3HG1  VAL  45          3HG1      VAL  45   6.429  -0.352   1.981
  311   1HG2  VAL  45          1HG2      VAL  45   8.585  -0.455   0.423
  312   2HG2  VAL  45          2HG2      VAL  45   9.057  -2.020  -0.279
  313   3HG2  VAL  45          3HG2      VAL  45   7.549  -1.249  -0.791
  314    H    MET  46           H        MET  46   6.282  -2.644   3.966
  315    HA   MET  46           HA       MET  46   6.059  -0.022   5.102
  316   1HB   MET  46          1HB       MET  46   4.414  -0.834   6.547
  317   2HB   MET  46          2HB       MET  46   4.365  -1.985   5.225
  318   1HG   MET  46          1HG       MET  46   4.590  -3.679   6.728
  319   2HG   MET  46          2HG       MET  46   6.227  -3.118   7.104
  320   1HE   MET  46          1HE       MET  46   2.754  -3.698   9.339
  321   2HE   MET  46          2HE       MET  46   2.250  -2.006   9.054
  322   3HE   MET  46          3HE       MET  46   2.581  -3.081   7.665
  323    NH1  ARG  47           NH1      ARG  47  14.073  -5.836   9.466
  324    NH2  ARG  47           NH2      ARG  47  14.151  -4.877  11.524
  325    H    ARG  47           H        ARG  47   7.982  -2.799   6.148
  326    HA   ARG  47           HA       ARG  47   8.817  -1.738   8.792
  327   1HB   ARG  47          1HB       ARG  47   8.805  -4.232   7.984
  328   2HB   ARG  47          2HB       ARG  47  10.326  -3.860   7.184
  329   1HG   ARG  47          1HG       ARG  47  11.187  -2.994   9.505
  330   2HG   ARG  47          2HG       ARG  47   9.769  -3.782  10.201
  331   1HD   ARG  47          1HD       ARG  47  11.807  -5.269   8.419
  332   2HD   ARG  47          2HD       ARG  47  10.473  -6.001   9.308
  333    HE   ARG  47           HE       ARG  47  11.676  -5.415  11.473
  334   1HH1  ARG  47          1HH1      ARG  47  15.168  -4.863  11.391
  335   2HH1  ARG  47          2HH1      ARG  47  13.634  -4.572  12.355
  336   1HH2  ARG  47          1HH2      ARG  47  13.504  -6.091   8.651
  337   2HH2  ARG  47          2HH2      ARG  47  15.091  -5.931   9.559
  338    H    MET  48           H        MET  48  10.155  -1.730   5.519
  339    HA   MET  48           HA       MET  48  12.818  -0.595   6.290
  340   1HB   MET  48          1HB       MET  48  12.967  -1.967   4.379
  341   2HB   MET  48          2HB       MET  48  11.504  -1.331   3.651
  342   1HG   MET  48          1HG       MET  48  14.185   0.189   3.828
  343   2HG   MET  48          2HG       MET  48  12.699   0.839   3.116
  344   1HE   MET  48          1HE       MET  48  15.770  -1.835   1.087
  345   2HE   MET  48          2HE       MET  48  15.955  -0.461   2.216
  346   3HE   MET  48          3HE       MET  48  15.471  -2.065   2.839
  347    H    LEU  49           H        LEU  49   9.769   0.734   6.147
  348    HA   LEU  49           HA       LEU  49  10.523   3.478   5.115
  349   1HB   LEU  49          1HB       LEU  49   8.155   4.063   6.031
  350   2HB   LEU  49          2HB       LEU  49   7.943   2.352   6.336
  351    HG   LEU  49           HG       LEU  49   8.647   2.167   3.700
  352   1HD1  LEU  49          1HD1      LEU  49   7.234   4.906   3.817
  353   2HD1  LEU  49          2HD1      LEU  49   8.963   4.690   3.491
  354   3HD1  LEU  49          3HD1      LEU  49   7.759   4.035   2.354
  355   1HD2  LEU  49          1HD2      LEU  49   6.260   1.946   3.155
  356   2HD2  LEU  49          2HD2      LEU  49   6.479   1.348   4.818
  357   3HD2  LEU  49          3HD2      LEU  49   5.786   2.954   4.546
  358    H    GLY  50           H        GLY  50   9.818   1.768   8.146
  359   1HA   GLY  50          1HA       GLY  50  11.667   2.657   9.960
  360   2HA   GLY  50          2HA       GLY  50  10.728   4.147   9.825
  361    H    GLN  51           H        GLN  51  10.182   0.654  10.301
  362    HA   GLN  51           HA       GLN  51   8.049   1.251  12.432
  363   1HB   GLN  51          1HB       GLN  51   7.555   0.092   9.857
  364   2HB   GLN  51          2HB       GLN  51   7.517  -1.251  10.986
  365   1HG   GLN  51          1HG       GLN  51   5.325  -0.687  11.248
  366   2HG   GLN  51          2HG       GLN  51   5.932   0.477  12.407
  367   1HE2  GLN  51          1HE2      GLN  51   3.854   2.682  10.370
  368   2HE2  GLN  51          2HE2      GLN  51   3.972   1.698  11.914
  369    H    ASN  52           H        ASN  52   7.543  -1.368  13.123
  370    HA   ASN  52           HA       ASN  52  10.078  -2.778  13.852
  371   1HB   ASN  52          1HB       ASN  52   8.542  -1.652  16.232
  372   2HB   ASN  52          2HB       ASN  52  10.152  -2.336  16.203
  373   1HD2  ASN  52          1HD2      ASN  52   9.501   1.651  15.178
  374   2HD2  ASN  52          2HD2      ASN  52   8.126   0.440  15.270
  375    HA   PRO  53           HA       PRO  53   5.894  -5.091  14.473
  376   1HB   PRO  53          1HB       PRO  53   4.827  -4.052  12.628
  377   2HB   PRO  53          2HB       PRO  53   4.955  -5.709  12.009
  378   1HG   PRO  53          1HG       PRO  53   6.734  -5.272  10.588
  379   2HG   PRO  53          2HG       PRO  53   6.092  -3.613  10.615
  380   1HD   PRO  53          1HD       PRO  53   8.677  -4.543  11.594
  381   2HD   PRO  53          2HD       PRO  53   7.996  -2.899  11.781
  382    H    THR  54           H        THR  54   5.101  -7.359  13.265
  383    HA   THR  54           HA       THR  54   7.447  -9.276  13.607
  384    HB   THR  54           HB       THR  54   4.728 -10.477  13.610
  385    HG1  THR  54           HG1      THR  54   4.131  -9.641  15.507
  386   1HG2  THR  54          1HG2      THR  54   5.559 -11.662  15.615
  387   2HG2  THR  54          2HG2      THR  54   6.758 -11.783  14.307
  388   3HG2  THR  54          3HG2      THR  54   7.024 -10.652  15.659
  389    H    LYS  55           H        LYS  55   7.494 -11.179  12.257
  390    HA   LYS  55           HA       LYS  55   7.079 -10.618   9.360
  391   1HB   LYS  55          1HB       LYS  55   8.236 -12.978  10.918
  392   2HB   LYS  55          2HB       LYS  55   7.858 -13.172   9.220
  393   1HG   LYS  55          1HG       LYS  55  10.260 -12.605   9.671
  394   2HG   LYS  55          2HG       LYS  55   9.789 -11.080  10.396
  395   1HD   LYS  55          1HD       LYS  55   9.862 -11.867   7.459
  396   2HD   LYS  55          2HD       LYS  55   8.586 -10.765   7.951
  397   1HE   LYS  55          1HE       LYS  55  10.281  -9.255   7.339
  398   2HE   LYS  55          2HE       LYS  55  10.492  -9.317   9.090
  399   1HZ   LYS  55          1HZ       LYS  55  12.030 -11.324   7.678
  400   2HZ   LYS  55          2HZ       LYS  55  12.434  -9.778   7.260
  401   3HZ   LYS  55          3HZ       LYS  55  12.511 -10.253   8.840
  402    H    GLU  56           H        GLU  56   5.566 -12.576  11.873
  403    HA   GLU  56           HA       GLU  56   3.717 -14.160  10.230
  404   1HB   GLU  56          1HB       GLU  56   4.373 -14.138  12.914
  405   2HB   GLU  56          2HB       GLU  56   2.779 -13.414  12.973
  406   1HG   GLU  56          1HG       GLU  56   3.160 -16.012  11.395
  407   2HG   GLU  56          2HG       GLU  56   1.695 -15.379  12.128
  408    H    GLU  57           H        GLU  57   3.642 -10.923  11.613
  409    HA   GLU  57           HA       GLU  57   0.816 -10.264  11.350
  410   1HB   GLU  57          1HB       GLU  57   1.494  -7.866  11.334
  411   2HB   GLU  57          2HB       GLU  57   3.173  -8.319  11.119
  412   1HG   GLU  57          1HG       GLU  57   2.832  -9.692  13.403
  413   2HG   GLU  57          2HG       GLU  57   3.150  -7.965  13.421
  414    H    LEU  58           H        LEU  58   3.498 -10.264   9.063
  415    HA   LEU  58           HA       LEU  58   2.341  -8.896   6.791
  416   1HB   LEU  58          1HB       LEU  58   4.743  -9.603   6.945
  417   2HB   LEU  58          2HB       LEU  58   4.281 -11.282   6.772
  418    HG   LEU  58           HG       LEU  58   5.041  -9.547   4.701
  419   1HD1  LEU  58          1HD1      LEU  58   2.014 -10.005   4.332
  420   2HD1  LEU  58          2HD1      LEU  58   2.714  -8.455   4.821
  421   3HD1  LEU  58          3HD1      LEU  58   3.119  -9.144   3.230
  422   1HD2  LEU  58          1HD2      LEU  58   4.553 -11.426   3.173
  423   2HD2  LEU  58          2HD2      LEU  58   5.123 -12.100   4.720
  424   3HD2  LEU  58          3HD2      LEU  58   3.394 -12.131   4.328
  425    H    ASP  59           H        ASP  59   2.323 -12.374   7.610
  426    HA   ASP  59           HA       ASP  59   0.599 -13.463   5.602
  427   1HB   ASP  59          1HB       ASP  59   0.113 -14.444   8.421
  428   2HB   ASP  59          2HB       ASP  59   0.264 -15.339   6.926
  429    H    ALA  60           H        ALA  60  -0.211 -11.649   8.538
  430    HA   ALA  60           HA       ALA  60  -3.096 -12.024   8.583
  431   1HB   ALA  60          1HB       ALA  60  -3.152 -10.039  10.087
  432   2HB   ALA  60          2HB       ALA  60  -1.847 -11.154  10.536
  433   3HB   ALA  60          3HB       ALA  60  -1.467  -9.640   9.675
  434    H    ILE  61           H        ILE  61  -1.100  -9.391   7.204
  435    HA   ILE  61           HA       ILE  61  -3.057  -7.664   6.125
  436    HB   ILE  61           HB       ILE  61  -0.235  -8.271   5.236
  437   1HG1  ILE  61          1HG1      ILE  61  -1.309  -5.467   5.780
  438   2HG1  ILE  61          2HG1      ILE  61  -1.145  -6.545   7.148
  439   1HG2  ILE  61          1HG2      ILE  61  -0.358  -6.596   3.373
  440   2HG2  ILE  61          2HG2      ILE  61  -1.424  -7.962   3.053
  441   3HG2  ILE  61          3HG2      ILE  61  -2.114  -6.423   3.620
  442   1HD1  ILE  61          1HD1      ILE  61   1.183  -5.717   5.318
  443   2HD1  ILE  61          2HD1      ILE  61   0.880  -5.208   6.992
  444   3HD1  ILE  61          3HD1      ILE  61   1.303  -6.901   6.649
  445    H    ILE  62           H        ILE  62  -1.803 -10.743   4.936
  446    HA   ILE  62           HA       ILE  62  -3.008 -10.700   2.230
  447    HB   ILE  62           HB       ILE  62  -1.157 -12.355   3.555
  448   1HG1  ILE  62          1HG1      ILE  62  -2.314 -13.151   0.827
  449   2HG1  ILE  62          2HG1      ILE  62  -0.661 -13.267   1.392
  450   1HG2  ILE  62          1HG2      ILE  62  -1.992 -14.701   3.263
  451   2HG2  ILE  62          2HG2      ILE  62  -2.988 -13.837   4.432
  452   3HG2  ILE  62          3HG2      ILE  62  -3.595 -14.092   2.780
  453   1HD1  ILE  62          1HD1      ILE  62  -0.304 -10.820   1.231
  454   2HD1  ILE  62          2HD1      ILE  62  -0.916 -11.467  -0.305
  455   3HD1  ILE  62          3HD1      ILE  62  -2.013 -10.576   0.776
  456    H    GLU  63           H        GLU  63  -3.953 -11.996   5.397
  457    HA   GLU  63           HA       GLU  63  -6.455 -13.278   4.643
  458   1HB   GLU  63          1HB       GLU  63  -6.161 -11.958   7.367
  459   2HB   GLU  63          2HB       GLU  63  -5.103 -13.287   6.937
  460   1HG   GLU  63          1HG       GLU  63  -7.489 -14.481   6.294
  461   2HG   GLU  63          2HG       GLU  63  -6.762 -14.564   7.890
  462    H    GLU  64           H        GLU  64  -5.595  -9.930   5.248
  463    HA   GLU  64           HA       GLU  64  -8.499  -9.038   4.822
  464   1HB   GLU  64          1HB       GLU  64  -6.507  -8.230   6.886
  465   2HB   GLU  64          2HB       GLU  64  -7.284  -6.874   6.093
  466   1HG   GLU  64          1HG       GLU  64  -8.940  -9.178   7.291
  467   2HG   GLU  64          2HG       GLU  64  -8.358  -7.853   8.284
  468    H    VAL  65           H        VAL  65  -6.501  -9.620   2.818
  469    HA   VAL  65           HA       VAL  65  -6.812  -7.096   1.216
  470    HB   VAL  65           HB       VAL  65  -3.990  -8.172   1.722
  471   1HG1  VAL  65          1HG1      VAL  65  -3.186  -6.397   0.153
  472   2HG1  VAL  65          2HG1      VAL  65  -4.252  -7.542  -0.683
  473   3HG1  VAL  65          3HG1      VAL  65  -4.864  -5.934  -0.228
  474   1HG2  VAL  65          1HG2      VAL  65  -5.183  -5.399   2.416
  475   2HG2  VAL  65          2HG2      VAL  65  -4.720  -6.666   3.578
  476   3HG2  VAL  65          3HG2      VAL  65  -3.477  -5.874   2.599
  477    H    ASP  66           H        ASP  66  -4.836 -10.096   1.098
  478    HA   ASP  66           HA       ASP  66  -6.030 -10.816  -1.599
  479   1HB   ASP  66          1HB       ASP  66  -3.703 -12.216  -0.164
  480   2HB   ASP  66          2HB       ASP  66  -3.505 -10.851  -1.239
  481    H    GLU  67           H        GLU  67  -7.862 -10.921   0.336
  482    HA   GLU  67           HA       GLU  67  -8.215 -13.683   1.484
  483   1HB   GLU  67          1HB       GLU  67  -9.078 -11.471   2.538
  484   2HB   GLU  67          2HB       GLU  67 -10.366 -11.517   1.351
  485   1HG   GLU  67          1HG       GLU  67 -10.661 -14.062   2.369
  486   2HG   GLU  67          2HG       GLU  67  -9.911 -13.302   3.763
  487    H    ASP  68           H        ASP  68  -9.686 -11.654  -1.055
  488    HA   ASP  68           HA       ASP  68 -11.262 -13.948  -2.224
  489   1HB   ASP  68          1HB       ASP  68 -11.831 -12.139  -4.047
  490   2HB   ASP  68          2HB       ASP  68 -11.091 -10.987  -2.959
  491    H    GLY  69           H        GLY  69  -9.464 -11.561  -4.113
  492   1HA   GLY  69          1HA       GLY  69  -8.240 -13.679  -5.866
  493   2HA   GLY  69          2HA       GLY  69  -7.044 -12.843  -4.869
  494    H    SER  70           H        SER  70  -7.554 -10.330  -4.807
  495    HA   SER  70           HA       SER  70  -8.627  -8.901  -7.109
  496   1HB   SER  70          1HB       SER  70  -8.293  -7.631  -5.131
  497   2HB   SER  70          2HB       SER  70  -6.608  -8.126  -4.954
  498    HG   SER  70           HG       SER  70  -7.765  -6.221  -6.592
  499    H    GLY  71           H        GLY  71  -5.154  -8.928  -6.311
  500   1HA   GLY  71          1HA       GLY  71  -3.943 -10.316  -8.498
  501   2HA   GLY  71          2HA       GLY  71  -4.332  -8.735  -9.183
  502    H    THR  72           H        THR  72  -3.418  -6.851  -8.285
  503    HA   THR  72           HA       THR  72  -0.846  -7.296  -6.704
  504    HB   THR  72           HB       THR  72   0.417  -5.848  -7.972
  505    HG1  THR  72           HG1      THR  72  -0.367  -4.274  -9.226
  506   1HG2  THR  72          1HG2      THR  72  -1.293  -6.629 -10.366
  507   2HG2  THR  72          2HG2      THR  72   0.477  -6.588 -10.207
  508   3HG2  THR  72          3HG2      THR  72  -0.457  -7.909  -9.459
  509    H    ILE  73           H        ILE  73  -0.268  -4.522  -6.438
  510    HA   ILE  73           HA       ILE  73  -2.611  -3.288  -5.032
  511    HB   ILE  73           HB       ILE  73  -0.413  -4.544  -3.530
  512   1HG1  ILE  73          1HG1      ILE  73  -2.483  -5.370  -2.908
  513   2HG1  ILE  73          2HG1      ILE  73  -3.310  -3.840  -3.142
  514   1HG2  ILE  73          1HG2      ILE  73  -0.106  -2.883  -1.732
  515   2HG2  ILE  73          2HG2      ILE  73   0.408  -2.167  -3.265
  516   3HG2  ILE  73          3HG2      ILE  73  -1.160  -1.711  -2.556
  517   1HD1  ILE  73          1HD1      ILE  73  -2.967  -4.798  -0.663
  518   2HD1  ILE  73          2HD1      ILE  73  -1.376  -4.018  -0.799
  519   3HD1  ILE  73          3HD1      ILE  73  -2.856  -3.043  -0.971
  520    H    ASP  74           H        ASP  74  -2.290  -1.037  -4.559
  521    HA   ASP  74           HA       ASP  74  -0.192   0.295  -6.358
  522   1HB   ASP  74          1HB       ASP  74  -2.070   2.140  -6.610
  523   2HB   ASP  74          2HB       ASP  74  -2.040   0.726  -7.637
  524    H    PHE  75           H        PHE  75  -0.176   2.757  -5.816
  525    HA   PHE  75           HA       PHE  75   0.959   3.042  -3.101
  526   1HB   PHE  75          1HB       PHE  75   0.310   5.241  -5.153
  527   2HB   PHE  75          2HB       PHE  75   1.762   4.275  -5.181
  528    HD1  PHE  75           HD1      PHE  75   1.228   4.638  -1.725
  529    HD2  PHE  75           HD2      PHE  75   2.350   6.999  -5.143
  530    HE1  PHE  75           HE1      PHE  75   2.054   6.418  -0.239
  531    HE2  PHE  75           HE2      PHE  75   3.298   8.703  -3.639
  532    HZ   PHE  75           HZ       PHE  75   3.091   8.451  -1.192
  533    H    GLU  76           H        GLU  76  -2.147   3.662  -4.608
  534    HA   GLU  76           HA       GLU  76  -3.258   5.568  -2.675
  535   1HB   GLU  76          1HB       GLU  76  -5.469   5.070  -3.665
  536   2HB   GLU  76          2HB       GLU  76  -4.828   3.666  -4.495
  537   1HG   GLU  76          1HG       GLU  76  -3.449   5.062  -5.987
  538   2HG   GLU  76          2HG       GLU  76  -5.106   5.638  -6.015
  539    H    GLU  77           H        GLU  77  -4.348   2.212  -3.199
  540    HA   GLU  77           HA       GLU  77  -5.585   1.688  -0.650
  541   1HB   GLU  77          1HB       GLU  77  -4.191  -0.271  -2.539
  542   2HB   GLU  77          2HB       GLU  77  -5.893   0.145  -2.499
  543   1HG   GLU  77          1HG       GLU  77  -4.319  -1.668  -0.626
  544   2HG   GLU  77          2HG       GLU  77  -5.701  -0.823   0.051
  545    H    PHE  78           H        PHE  78  -2.208   1.672  -1.623
  546    HA   PHE  78           HA       PHE  78  -0.966   0.284   0.583
  547   1HB   PHE  78          1HB       PHE  78   0.003   2.343  -1.419
  548   2HB   PHE  78          2HB       PHE  78   0.473   0.675  -1.227
  549    HD1  PHE  78           HD1      PHE  78   0.682   3.951   0.718
  550    HD2  PHE  78           HD2      PHE  78   2.613   0.243  -0.295
  551    HE1  PHE  78           HE1      PHE  78   2.685   4.639   1.972
  552    HE2  PHE  78           HE2      PHE  78   4.597   0.936   0.986
  553    HZ   PHE  78           HZ       PHE  78   4.656   3.151   2.079
  554    H    LEU  79           H        LEU  79  -1.735   3.745   0.175
  555    HA   LEU  79           HA       LEU  79  -0.689   4.693   2.777
  556   1HB   LEU  79          1HB       LEU  79  -2.283   6.701   2.304
  557   2HB   LEU  79          2HB       LEU  79  -2.693   5.910   0.797
  558    HG   LEU  79           HG       LEU  79  -0.222   5.981   0.126
  559   1HD1  LEU  79          1HD1      LEU  79  -0.235   8.406  -0.475
  560   2HD1  LEU  79          2HD1      LEU  79  -1.840   7.693  -0.724
  561   3HD1  LEU  79          3HD1      LEU  79  -1.537   8.718   0.701
  562   1HD2  LEU  79          1HD2      LEU  79   0.078   7.767   2.633
  563   2HD2  LEU  79          2HD2      LEU  79   0.851   6.183   2.372
  564   3HD2  LEU  79          3HD2      LEU  79   1.303   7.559   1.355
  565    H    VAL  80           H        VAL  80  -3.738   3.384   1.599
  566    HA   VAL  80           HA       VAL  80  -5.477   4.132   3.822
  567    HB   VAL  80           HB       VAL  80  -5.779   1.826   1.833
  568   1HG1  VAL  80          1HG1      VAL  80  -7.271   4.522   1.859
  569   2HG1  VAL  80          2HG1      VAL  80  -5.820   4.233   0.891
  570   3HG1  VAL  80          3HG1      VAL  80  -7.286   3.274   0.586
  571   1HG2  VAL  80          1HG2      VAL  80  -8.138   1.619   2.467
  572   2HG2  VAL  80          2HG2      VAL  80  -7.181   1.426   3.954
  573   3HG2  VAL  80          3HG2      VAL  80  -8.012   2.956   3.637
  574    H    MET  81           H        MET  81  -3.291   1.427   3.237
  575    HA   MET  81           HA       MET  81  -4.178  -0.294   5.481
  576   1HB   MET  81          1HB       MET  81  -2.790  -1.862   4.624
  577   2HB   MET  81          2HB       MET  81  -2.678  -0.785   3.244
  578   1HG   MET  81          1HG       MET  81  -0.487  -0.008   3.835
  579   2HG   MET  81          2HG       MET  81  -0.653  -0.496   5.530
  580   1HE   MET  81          1HE       MET  81   1.281  -3.495   5.716
  581   2HE   MET  81          2HE       MET  81   2.097  -2.121   4.912
  582   3HE   MET  81          3HE       MET  81   0.911  -1.814   6.215
  583    H    MET  82           H        MET  82  -1.546   2.042   4.973
  584    HA   MET  82           HA       MET  82  -0.026   1.627   7.403
  585   1HB   MET  82          1HB       MET  82   0.899   3.925   7.082
  586   2HB   MET  82          2HB       MET  82  -0.347   4.286   5.902
  587   1HG   MET  82          1HG       MET  82   1.217   3.645   4.347
  588   2HG   MET  82          2HG       MET  82   0.755   1.987   4.764
  589   1HE   MET  82          1HE       MET  82   1.772   0.564   6.600
  590   2HE   MET  82          2HE       MET  82   3.446   0.725   7.210
  591   3HE   MET  82          3HE       MET  82   2.132   1.683   7.952
  592    H    VAL  83           H        VAL  83  -2.269   4.342   6.763
  593    HA   VAL  83           HA       VAL  83  -2.610   5.356   9.403
  594    HB   VAL  83           HB       VAL  83  -4.659   5.321   7.134
  595   1HG1  VAL  83          1HG1      VAL  83  -5.906   7.114   8.350
  596   2HG1  VAL  83          2HG1      VAL  83  -5.918   5.608   9.278
  597   3HG1  VAL  83          3HG1      VAL  83  -4.834   6.933   9.763
  598   1HG2  VAL  83          1HG2      VAL  83  -2.826   7.598   8.142
  599   2HG2  VAL  83          2HG2      VAL  83  -2.621   6.695   6.623
  600   3HG2  VAL  83          3HG2      VAL  83  -4.040   7.728   6.843
  601    NH1  ARG  84           NH1      ARG  84  -8.037  -3.473   5.660
  602    NH2  ARG  84           NH2      ARG  84  -8.332  -1.708   4.259
  603    H    ARG  84           H        ARG  84  -4.102   2.565   7.842
  604    HA   ARG  84           HA       ARG  84  -6.240   1.834   9.663
  605   1HB   ARG  84          1HB       ARG  84  -5.078   0.645   7.406
  606   2HB   ARG  84          2HB       ARG  84  -4.609  -0.466   8.686
  607   1HG   ARG  84          1HG       ARG  84  -7.083  -0.541   9.437
  608   2HG   ARG  84          2HG       ARG  84  -7.485   0.356   7.971
  609   1HD   ARG  84          1HD       ARG  84  -5.814  -2.199   7.716
  610   2HD   ARG  84          2HD       ARG  84  -7.549  -2.341   7.992
  611    HE   ARG  84           HE       ARG  84  -6.639  -0.593   5.675
  612   1HH1  ARG  84          1HH1      ARG  84  -8.577  -4.010   4.973
  613   2HH1  ARG  84          2HH1      ARG  84  -7.671  -3.813   6.556
  614   1HH2  ARG  84          1HH2      ARG  84  -8.104  -0.734   4.032
  615   2HH2  ARG  84          2HH2      ARG  84  -8.947  -2.336   3.729
  616    H    GLN  85           H        GLN  85  -2.811   0.780   9.689
  617    HA   GLN  85           HA       GLN  85  -2.942  -0.828  12.135
  618   1HB   GLN  85          1HB       GLN  85  -0.809   0.103  10.289
  619   2HB   GLN  85          2HB       GLN  85  -0.270   0.077  11.958
  620   1HG   GLN  85          1HG       GLN  85  -0.090  -2.085  10.347
  621   2HG   GLN  85          2HG       GLN  85  -1.722  -2.389  10.906
  622   1HE2  GLN  85          1HE2      GLN  85  -0.627  -3.087  14.344
  623   2HE2  GLN  85          2HE2      GLN  85  -1.951  -2.207  13.428
  624    H    MET  86           H        MET  86  -2.101   2.555  11.488
  625    HA   MET  86           HA       MET  86  -0.970   3.414  13.966
  626   1HB   MET  86          1HB       MET  86  -2.285   4.786  11.691
  627   2HB   MET  86          2HB       MET  86  -2.587   5.612  13.208
  628   1HG   MET  86          1HG       MET  86   0.289   4.846  12.917
  629   2HG   MET  86          2HG       MET  86  -0.288   5.891  11.610
  630   1HE   MET  86          1HE       MET  86   1.830   6.854  12.869
  631   2HE   MET  86          2HE       MET  86   1.462   8.486  13.500
  632   3HE   MET  86          3HE       MET  86   1.819   7.152  14.635
  633    H    LYS  87           H        LYS  87  -4.409   3.288  13.034
  634    HA   LYS  87           HA       LYS  87  -5.650   4.230  15.469
  635   1HB   LYS  87          1HB       LYS  87  -7.066   3.939  13.547
  636   2HB   LYS  87          2HB       LYS  87  -6.647   2.250  13.353
  637   1HG   LYS  87          1HG       LYS  87  -7.943   1.623  15.353
  638   2HG   LYS  87          2HG       LYS  87  -8.184   3.299  15.802
  639   1HD   LYS  87          1HD       LYS  87 -10.274   2.780  14.840
  640   2HD   LYS  87          2HD       LYS  87  -9.438   3.548  13.500
  641   1HE   LYS  87          1HE       LYS  87  -8.773   0.759  13.269
  642   2HE   LYS  87          2HE       LYS  87 -10.497   0.802  13.643
  643   1HZ   LYS  87          1HZ       LYS  87  -9.084   1.906  11.309
  644   2HZ   LYS  87          2HZ       LYS  87 -10.495   1.050  11.373
  645   3HZ   LYS  87          3HZ       LYS  87 -10.481   2.650  11.785
  646    H    GLU  88           H        GLU  88  -4.769   0.903  14.495
  647    HA   GLU  88           HA       GLU  88  -5.566  -0.622  16.765
  648   1HB   GLU  88          1HB       GLU  88  -3.783  -1.038  14.528
  649   2HB   GLU  88          2HB       GLU  88  -2.958  -1.605  15.966
  650   1HG   GLU  88          1HG       GLU  88  -4.319  -3.379  14.734
  651   2HG   GLU  88          2HG       GLU  88  -4.667  -3.255  16.450
  652    H    ASP  89           H        ASP  89  -2.621   1.317  16.308
  653    HA   ASP  89           HA       ASP  89  -0.919   2.099  17.806
  654   1HB   ASP  89          1HB       ASP  89  -2.700   1.851  20.229
  655   2HB   ASP  89          2HB       ASP  89  -3.304   2.849  18.927
  656    H    ALA  90           H        ALA  90  -0.506   1.420  20.511
  657    HA   ALA  90           HA       ALA  90  -0.085  -1.616  20.519
  658   1HB   ALA  90          1HB       ALA  90   2.089   0.173  21.709
  659   2HB   ALA  90          2HB       ALA  90   2.208  -1.489  21.097
  660   3HB   ALA  90          3HB       ALA  90   2.095  -0.128  19.954
   
   
  No H/Q in entry =         660