*HEADER   TOXIN                                   26-JAN-95   1TFS    
*COMPND   TOXIN FS2 (NMR, 20 STRUCTURES)                              
*SOURCE   BLACK MAMBA SNAKE (DENDROASPIS POLYLEPIS POLYLEPIS) VENOM   
*AUTHOR   J.-P.ALBRAND,M.J.BLACKLEDGE,F.PASCAUD,M.HOLLECKER,D.MARION  
*REVDAT  1   31-MAR-95 1TFS    0                                      


!restr_albrand.jp
!restraints file used to determine the structure of Toxin FS2
!deposited at PDB with the deposition file dep_albrand.jp
!and the coordinates file cord_albrand.jp

!BIOSYM restraint 1
!
!
!

#chiral
1:ARXN_1:CA        S
1:ILE_2:CA         S
1:ILE_2:CB         S
1:CYS_3:CA         R
1:TYR_4:CA         S
1:SER_5:CA         S
1:HIZ_6:CA        S
1:LYX_7:CA         S
1:ALA_8:CA         S
1:SER_9:CA         S
1:LEU_10:CA        S
1:PRO_11:CA        S
1:ARX_12:CA        S
1:ALA_13:CA        S
1:THR_14:CA        S
1:THR_14:CB        R
1:LYX_15:CA        S
1:THR_16:CA        S
1:THR_16:CB        R
1:CYS_17:CA        R
1:VAL_18:CA        S
1:GLX_19:CA        S
1:ASN_20:CA        S
1:THR_21:CA        S
1:THR_21:CB        R
1:CYS_22:CA        R
1:TYR_23:CA        S
1:LYX_24:CA        S
1:MET_25:CA        S
1:PHE_26:CA        S
1:ILE_27:CA        S
1:ILE_27:CB        S
1:ARX_28:CA        S
1:THR_29:CA        S
1:THR_29:CB        R
1:HIZ_30:CA       S
1:ARX_31:CA        S
1:GLX_32:CA        S
1:TYR_33:CA        S
1:ILE_34:CA        S
1:ILE_34:CB        S
1:SER_35:CA        S
1:GLX_36:CA        S
1:ARX_37:CA        S
1:CYS_39:CA        R
1:CYS_41:CA        R
1:PRO_42:CA        S
1:THR_43:CA        S
1:THR_43:CB        R
1:ALA_44:CA        S
1:MET_45:CA        S
1:TRP_46:CA        S
1:PRO_47:CA        S
1:TYR_48:CA        S
1:GLN_49:CA        S
1:THR_50:CA        S
1:THR_50:CB        R
1:GLX_51:CA        S
1:CYS_52:CA        R
1:CYS_53:CA        R
1:LYX_54:CA        S
1:ASX_56:CA        S
1:ARX_57:CA        S
1:CYS_58:CA        R
1:ASN_59:CA        S
1:LYXC_60:CA       S
!
#distance
1:CYS_22:HN        1:CYS_53:O          1.800  2.000 50.00 50.00 1000.000
1:CYS_22:N         1:CYS_53:O          2.800  3.000 50.00 50.00 1000.000
1:CYS_3:HN         1:LYX_15:O          1.800  2.000 50.00 50.00 1000.000
1:CYS_3:N          1:LYX_15:O          2.800  3.000 50.00 50.00 1000.000
1:TYR_23:HN        1:GLY_38:O          1.800  2.000 50.00 50.00 1000.000
1:TYR_23:N         1:GLY_38:O          2.800  3.000 50.00 50.00 1000.000
1:LYX_24:HN        1:GLX_51:O          1.800  2.000 50.00 50.00 1000.000
1:LYX_24:N         1:GLX_51:O          2.800  3.000 50.00 50.00 1000.000
1:MET_25:HN        1:GLX_36:O          1.800  2.000 50.00 50.00 1000.000
1:MET_25:N         1:GLX_36:O          2.800  3.000 50.00 50.00 1000.000
1:PHE_26:HN        1:GLN_49:O          1.800  2.000 50.00 50.00 1000.000
1:PHE_26:N         1:GLN_49:O          2.800  3.000 50.00 50.00 1000.000
1:MET_25:O         1:GLX_36:HN         1.800  2.000 50.00 50.00 1000.000
1:MET_25:O         1:GLX_36:N          2.800  3.000 50.00 50.00 1000.000
1:TYR_23:O         1:GLY_38:HN         1.800  2.000 50.00 50.00 1000.000
1:TYR_23:O         1:GLY_38:N          2.800  3.000 50.00 50.00 1000.000
1:PHE_26:O         1:GLN_49:HN         1.800  2.000 50.00 50.00 1000.000
1:PHE_26:O         1:GLN_49:N          2.800  3.000 50.00 50.00 1000.000
1:LYX_24:O         1:GLX_51:HN         1.800  2.000 50.00 50.00 1000.000
1:LYX_24:O         1:GLX_51:N          2.800  3.000 50.00 50.00 1000.000
1:CYS_22:O         1:CYS_53:HN         1.800  2.000 50.00 50.00 1000.000
1:CYS_22:O         1:CYS_53:N          2.800  3.000 50.00 50.00 1000.000
1:THR_21:O         1:GLY_40:HN         1.800  2.000 50.00 50.00 1000.000
1:THR_21:O         1:GLY_40:N          2.800  3.000 50.00 50.00 1000.000
1:GLY_55:O         1:CYS_58:HN         1.800  2.000 50.00 50.00 1000.000
1:GLY_55:O         1:CYS_58:N          2.800  3.000 50.00 50.00 1000.000
1:CYS_3:SG         1:CYS_22:SG         2.000  2.100 50.00 50.00   1000.000
1:CYS_3:SG         1:CYS_22:CB         3.000  3.100 50.00 50.00 1000.000
1:CYS_3:CB         1:CYS_22:SG         3.000  3.100 50.00 50.00 1000.000
1:CYS_17:SG        1:CYS_39:SG         2.000  2.100 50.00 50.00 1000.000
1:CYS_17:SG        1:CYS_39:CB         3.000  3.100 50.00 50.00 1000.000
1:CYS_17:CB        1:CYS_39:SG         3.000  3.100 50.00 50.00 1000.000
1:CYS_41:SG        1:CYS_52:SG         2.000  2.100 50.00 50.00 1000.000
1:CYS_41:SG        1:CYS_52:CB         3.000  3.100 50.00 50.00 1000.000
1:CYS_41:CB        1:CYS_52:SG         3.000  3.100 50.00 50.00 1000.000
1:CYS_53:SG        1:CYS_58:SG         2.000  2.100 50.00 50.00 1000.000
1:CYS_53:SG        1:CYS_58:CB         3.000  3.100 50.00 50.00 1000.000
1:CYS_53:CB        1:CYS_58:SG         3.000  3.100 50.00 50.00 1000.000
!
#NOE_distance
1:ARXN_1:HA        1:ILE_2:HN         -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARXN_1:HD1       1:ILE_2:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARXN_1:HD2       1:ILE_2:HN         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARXN_1:HB*       1:ILE_2:HN         -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ARXN_1:HD1       1:ASX_56:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARXN_1:HD2       1:ASX_56:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARXN_1:HD1       1:ARX_57:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARXN_1:HD2       1:ARX_57:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_2:HG2*       1:ARX_57:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_2:HN         1:ARX_57:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_2:HD1*       1:LYX_15:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_2:HG2*       1:LYX_15:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_2:HA         1:CYS_3:HN         -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_2:HB         1:ASX_56:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_2:HD1*       1:ARX_57:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_2:HB         1:ARX_57:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HA         1:TYR_4:HN         -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_3:HBR        1:CYS_3:HN         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HBS        1:CYS_3:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_3:HBS        1:CYS_3:HA         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HBR        1:CYS_3:HA         -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_3:HBS        1:TYR_4:HN         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HBR        1:TYR_4:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_3:HN         1:LYX_15:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HN         1:THR_16:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HBR        1:ASN_59:HD21      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_3:HBR        1:ASN_59:HD22      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_3:HBS        1:ASN_59:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HBS        1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_3:HA         1:ARX_57:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HA         1:SER_5:HN         -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_4:HB2        1:ASN_59:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HB2        1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HN         1:ASN_59:HD21      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HN         1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HA         1:THR_14:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HA         1:LYX_15:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HA         1:THR_14:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:THR_14:HG2*      -1.000  6.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HE*        1:THR_14:HG2*      -1.000  6.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HA         1:TYR_4:HB1        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HA         1:TYR_4:HB2        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HA         1:TYR_4:HD*        -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_4:HN         1:TYR_4:HB1        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HN         1:TYR_4:HB2        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HN         1:TYR_4:HD*        -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HB1        1:TYR_4:HD*        -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_4:HB2        1:TYR_4:HD*        -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HB1        1:TYR_4:HE*        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:SER_5:HN         -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:ARX_57:HA        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HE*        1:ARX_57:HA        -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:ARX_57:HB1       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:ARX_57:HB2       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HE*        1:ARX_57:HB1       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HE*        1:ARX_57:HB2       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:ASN_59:HN        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HE*        1:LYXC_60:HA       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:LYXC_60:HA       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:LYXC_60:HB*      -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HE*        1:LYXC_60:HB*      -1.000  5.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_4:HD*        1:LYXC_60:HG*      -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_4:HE*        1:LYXC_60:HG*      -1.000  6.500  3.500 50.00 50.00 1000.000  0.00
1:SER_5:HN         1:THR_14:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_5:HN         1:THR_14:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_5:HN         1:THR_14:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:SER_5:HB1        1:LYX_15:HB*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:SER_5:HB1        1:LYX_15:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_6:HA        1:LYX_7:HN         -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:HIZ_6:HA        1:HIZ_6:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_6:HA        1:HIZ_6:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_6:HB2       1:LYX_7:HN         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_6:HB1       1:LYX_7:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_6:HN        1:ALA_13:HN        -1.000  5.000  3.500 50.00 50.00 1000.000  0.00
1:HIZ_6:HB1       1:ALA_13:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_6:HB2       1:ALA_13:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_6:HD2       1:HIZ_6:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_6:HD2       1:LEU_10:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_6:HD2       1:ARX_12:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
!1:HIZ_6:HD2       ??????????       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_7:HA         1:ALA_8:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_7:HA         1:GLX_36:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_7:HE*        1:SER_9:HN         -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_8:HA         1:SER_9:HN         -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_8:HB*        1:SER_9:HN         -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:SER_9:HA         1:LEU_10:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LEU_10:HA        1:PRO_11:HD*       -1.000  3.800  2.800 50.00 50.00 1000.000  0.00
1:LEU_10:HB*       1:LEU_10:HN        -1.000  3.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_11:HA        1:ARX_12:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_11:HB1       1:ARX_12:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PRO_11:HB2       1:ARX_12:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_12:HA        1:ALA_13:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_12:HB1       1:ALA_13:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_12:HG*       1:ALA_13:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_13:HA        1:THR_14:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_13:HB*       1:THR_14:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_14:HA        1:THR_14:HB        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_14:HA        1:THR_14:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_14:HB        1:THR_14:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_14:HB        1:THR_14:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_14:HG2*      1:THR_14:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_14:HA        1:LYX_15:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_14:HB        1:LYX_15:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_14:HG2*      1:LYX_15:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_14:HN        1:LYX_15:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_15:HA        1:THR_16:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LYX_15:HB*       1:THR_16:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_15:HG*       1:THR_16:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_15:HA        1:LYX_15:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_15:HB*       1:LYX_15:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_15:HG*       1:LYX_15:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_16:HA        1:CYS_17:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_16:HB        1:CYS_17:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_16:HG2*      1:CYS_17:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_16:HN        1:CYS_17:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_17:HBS       1:CYS_17:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_17:HBR       1:CYS_17:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_17:HBR       1:CYS_17:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_17:HBS       1:CYS_17:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_17:HA        1:VAL_18:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_17:HBR       1:VAL_18:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_17:HBS       1:VAL_18:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_17:HA        1:GLX_19:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_17:HBR       1:GLX_19:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_17:HBS       1:GLX_19:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_17:HBS       1:CYS_39:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_18:HB        1:VAL_18:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_18:HG*       1:VAL_18:HN        -1.000  6.200  2.800 50.00 50.00 1000.000  0.00
1:VAL_18:HA        1:VAL_18:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_18:HA        1:VAL_18:HG*       -1.000  5.900  3.500 50.00 50.00 1000.000  0.00
1:VAL_18:HA        1:GLX_19:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_18:HG*       1:GLX_19:HA        -1.000  7.400  5.000 50.00 50.00 1000.000  0.00
1:VAL_18:HB        1:GLX_19:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_18:HG*       1:GLX_19:HN        -1.000  5.900  3.500 50.00 50.00 1000.000  0.00
1:VAL_18:HN        1:GLX_19:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HA        1:ASN_20:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLX_19:HBR       1:ASN_20:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HBS       1:ASN_20:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HG1       1:ASN_20:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HG2       1:ASN_20:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HA        1:THR_21:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HBR       1:THR_21:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HBS       1:THR_21:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLX_19:HG1       1:THR_21:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HG2       1:THR_21:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HBR       1:GLY_40:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HBS       1:GLY_40:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HG1       1:GLY_40:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HG2       1:GLY_40:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HBR       1:GLY_40:HA1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HBS       1:GLY_40:HA1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HBS       1:GLY_40:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HG1       1:GLY_40:HA1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HG2       1:GLY_40:HA1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HG2       1:GLY_40:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HBR       1:GLX_19:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLX_19:HBS       1:GLX_19:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HG1       1:GLX_19:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HG2       1:GLX_19:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_19:HBS       1:GLX_19:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HG1       1:GLX_19:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_19:HG2       1:GLX_19:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_20:HA        1:THR_21:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_20:HN        1:THR_21:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ASN_20:HB*       1:THR_21:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_20:HB*       1:ASN_20:HD21      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_20:HB*       1:ASN_20:HD22      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_20:HD21      1:LYX_54:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_20:HD22      1:LYX_54:HD*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HA        1:CYS_22:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_21:HB        1:CYS_22:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_21:HG2*      1:CYS_22:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HB        1:THR_21:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_21:HG2*      1:THR_21:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_21:HN        1:GLY_40:HA1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_21:HN        1:GLY_40:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HB        1:CYS_52:HBR       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HG2*      1:CYS_52:HBR       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HA        1:CYS_53:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HB        1:CYS_53:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HG2*      1:CYS_53:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_21:HA        1:LYX_54:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HA        1:TYR_23:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_22:HBS       1:TYR_23:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:TYR_23:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HBS       1:CYS_22:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:CYS_22:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_22:HBS       1:CYS_22:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:CYS_22:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_22:HA        1:GLY_40:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HBS       1:ASN_59:HD21      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:ASN_59:HD21      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_22:HA        1:ASN_59:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:ASN_59:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:ASN_59:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_22:HBR       1:CYS_3:HBS        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_22:HA        1:CYS_39:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_22:HN        1:CYS_53:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_22:HN        1:LYX_54:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HA        1:LYX_24:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:LYX_24:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:LYX_24:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HA        1:CYS_53:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:TYR_23:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:TYR_23:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:TYR_23:HE*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:TYR_23:HE*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:TYR_23:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:TYR_23:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:TYR_23:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:TYR_23:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HD*       1:MET_25:HB1       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HD*       1:MET_25:HB2       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HE*       1:MET_25:HB1       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HE*       1:MET_25:HB2       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HA        1:CYS_52:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:CYS_52:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:CYS_52:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HA        1:CYS_52:HBS       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HA        1:CYS_52:HBR       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HA        1:THR_50:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:THR_50:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:THR_50:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HA        1:GLX_51:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBR       1:GLX_51:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HN        1:GLY_38:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:CYS_41:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_23:HN        1:CYS_41:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:PRO_42:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_23:HBS       1:PRO_42:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:MET_25:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LYX_24:HBR       1:MET_25:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HBS       1:MET_25:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HG*       1:MET_25:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HD*       1:MET_25:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:LYX_24:HBR       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:LYX_24:HBS       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_24:HN        1:LYX_24:HBS       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_24:HN        1:LYX_24:HBR       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:LYX_24:HG*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:LYX_24:HD*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:ILE_34:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HD*       1:ILE_34:HG2*      -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HD*       1:ILE_34:HD1*      -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:ARX_37:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:ARX_37:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HN        1:CYS_52:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_24:HA        1:GLY_38:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_24:HN        1:THR_50:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HG*       1:GLX_51:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HD*       1:GLX_51:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_24:HN        1:GLX_51:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:PHE_26:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:MET_25:HB1       1:PHE_26:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HB2       1:PHE_26:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HG1       1:PHE_26:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HG2       1:PHE_26:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:PHE_26:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HG1       1:GLN_49:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HG2       1:GLN_49:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:GLN_49:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HG1       1:TYR_48:HD*       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HG2       1:TYR_48:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:THR_50:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:THR_50:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:MET_25:HB1       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:MET_25:HB2       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:MET_25:HG1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:MET_25:HG2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HB1       1:MET_25:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:MET_25:HB2       1:MET_25:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HG1       1:MET_25:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HG2       1:MET_25:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HN        1:ARX_37:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HN        1:ARX_37:HBS       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HN        1:ARX_37:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HN        1:ARX_37:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HN        1:ILE_34:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HN        1:ILE_34:HD1*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:MET_25:HN        1:GLX_36:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_25:HA        1:GLX_51:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:ILE_27:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HBR       1:ILE_27:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HBS       1:ILE_27:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:PHE_26:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HBR       1:PHE_26:HD*       -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HBS       1:PHE_26:HD*       -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HBR       1:PHE_26:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HBS       1:PHE_26:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HBR       1:PHE_26:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HBS       1:PHE_26:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:PHE_26:HN        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:GLX_36:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:SER_35:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ILE_27:HN        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:GLN_49:HG*       -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:GLN_49:HB1       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:GLN_49:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:GLN_49:HB1       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:GLN_49:HB2       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:GLX_51:HN        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:GLX_51:HB*       -1.000  5.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:GLX_51:HG2       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:GLX_51:HB*       -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:GLX_51:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:GLN_49:HG*       -1.000  5.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ARX_28:HA        -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:ARX_28:HA        -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:ILE_34:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HBS       1:ILE_34:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ILE_34:HD1*      -1.000  5.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ILE_34:HG2*      -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HBR       1:ARX_31:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HB        1:ARX_28:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HG2*      1:ARX_28:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:ARX_28:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_27:HG11      1:ARX_28:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HG12      1:ARX_28:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HD1*      1:ARX_28:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HB        1:THR_29:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HG2*      1:THR_29:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:TYR_48:HD*       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HG2*      1:TYR_48:HD*       -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HG11      1:TYR_48:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HD1*      1:TYR_48:HD*       -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HG2*      1:TYR_48:HE*       -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HG11      1:TYR_48:HE*       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HD1*      1:TYR_48:HE*       -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:TYR_48:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:ILE_27:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:ILE_27:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:ILE_27:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:ILE_27:HD1*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:ILE_27:HG12      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HB        1:ILE_27:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HB        1:ILE_27:HG2*      -1.000  3.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_27:HB        1:ILE_27:HD1*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HG12      1:ILE_27:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HG12      1:ILE_27:HD1*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HG2*      1:ILE_27:HG11      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HG2*      1:ILE_27:HD1*      -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HG2*      1:HIZ_30:HD2      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_27:HD1*      1:HIZ_30:HD2      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HB        1:HIZ_30:HD2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_27:HA        1:GLN_49:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_28:HA        1:ARX_28:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_28:HA        1:ARX_28:HG*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_28:HB1       1:ARX_28:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_28:HB2       1:ARX_28:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARX_28:HB2       1:ARX_28:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_28:HB2       1:ARX_28:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_28:HB2       1:THR_29:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_28:HA        1:THR_29:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_28:HA        1:HIZ_30:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_28:HN        1:HIZ_30:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_28:HD1       1:TRP_46:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_28:HD2       1:TRP_46:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_29:HG2*      1:THR_29:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HA       1:ARX_31:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:HIZ_30:HB1      1:ARX_31:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HB2      1:ARX_31:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HB1      1:HIZ_30:HD2      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_30:HB2      1:HIZ_30:HD2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HB2      1:TYR_33:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HA       1:HIZ_30:HB1      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_30:HA       1:HIZ_30:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HN       1:HIZ_30:HB1      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:HIZ_30:HN       1:HIZ_30:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HA       1:GLX_32:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:HIZ_30:HB2      1:GLX_32:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_31:HA        1:GLX_32:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HB1       1:GLX_32:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_31:HB2       1:GLX_32:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_31:HG1       1:GLX_32:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_31:HG2       1:GLX_32:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_31:HA        1:ARX_31:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HA        1:ARX_31:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HN        1:ARX_31:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HN        1:ARX_31:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HN        1:ARX_31:HG1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HN        1:ARX_31:HG2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HA        1:ARX_31:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_31:HN        1:GLX_32:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_31:HA        1:TYR_33:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_32:HA        1:TYR_33:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLX_32:HB1       1:TYR_33:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_32:HB2       1:TYR_33:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_32:HG1       1:TYR_33:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_32:HG2       1:TYR_33:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_32:HN        1:TYR_33:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_32:HA        1:GLX_32:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_32:HA        1:GLX_32:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_32:HN        1:GLX_32:HB1       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLX_32:HN        1:GLX_32:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_32:HN        1:GLX_32:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_32:HN        1:GLX_32:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_33:HA        1:ILE_34:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_33:HBR       1:ILE_34:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_33:HBS       1:ILE_34:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_33:HBR       1:TYR_33:HD*       -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_33:HBS       1:TYR_33:HD*       -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_33:HBR       1:TYR_33:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_33:HBS       1:TYR_33:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_33:HBR       1:TYR_33:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_33:HBS       1:TYR_33:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_33:HA        1:TYR_33:HD*       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_33:HE*       1:SER_35:HA        -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_34:HA        1:SER_35:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_34:HG2*      1:SER_35:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_34:HD1*      1:SER_35:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_34:HD1*      1:ILE_34:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_34:HG2*      1:ILE_34:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_34:HB        1:ILE_34:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_34:HA        1:ILE_34:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_34:HA        1:ILE_34:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_34:HA        1:ILE_34:HD1*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_34:HB        1:ILE_34:HG2*      -1.000  3.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_34:HB        1:ILE_34:HD1*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_34:HG2*      1:ILE_34:HD1*      -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_34:HG2*      1:GLX_36:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:SER_35:HA        1:GLX_36:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_35:HB1       1:SER_35:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:SER_35:HB2       1:SER_35:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_35:HB1       1:GLX_36:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:SER_35:HB2       1:GLX_36:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_35:HN        1:GLX_36:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:SER_35:HB2       1:TYR_33:HE*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:SER_35:HB2       1:TYR_33:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:SER_35:HA        1:SER_35:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:SER_35:HA        1:SER_35:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_36:HA        1:ARX_37:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLX_36:HB1       1:ARX_37:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_36:HB2       1:ARX_37:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_36:HG1       1:ARX_37:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_36:HG2       1:ARX_37:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_36:HA        1:GLX_36:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_36:HA        1:GLX_36:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_36:HA        1:GLX_36:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_36:HA        1:GLX_36:HG2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_36:HN        1:GLX_36:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_36:HN        1:GLX_36:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_37:HA        1:GLY_38:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARX_37:HBR       1:GLY_38:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HG1       1:GLY_38:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_37:HA        1:ARX_37:HBS       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_37:HA        1:ARX_37:HBR       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HA        1:ARX_37:HG1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_37:HA        1:ARX_37:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HN        1:ARX_37:HBR       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_37:HN        1:ARX_37:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HN        1:ARX_37:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HA        1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HBR       1:ASN_59:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HBR       1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HG1       1:ASN_59:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HG1       1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HG2       1:ASN_59:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_37:HG2       1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_38:HA*       1:CYS_39:HN        -1.000  3.800  2.800 50.00 50.00 1000.000  0.00
1:GLY_38:HN        1:ASN_59:HD21      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLY_38:HN        1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_39:HA        1:GLY_40:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_39:HB1       1:GLY_40:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_39:HB2       1:GLY_40:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_39:HA        1:CYS_39:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_39:HB1       1:CYS_39:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_39:HB2       1:CYS_39:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_39:HA        1:CYS_39:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_39:HA        1:CYS_39:HB2       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLY_40:HN        1:CYS_41:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_40:HA1       1:CYS_41:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLY_40:HA2       1:CYS_41:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLY_40:HA1       1:GLY_40:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLY_40:HA2       1:GLY_40:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_41:HA        1:PRO_42:HD1       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_41:HA        1:PRO_42:HD2       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_41:HA        1:CYS_41:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_41:HA        1:CYS_41:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_41:HN        1:CYS_41:HB1       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_41:HN        1:CYS_41:HB2       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_41:HB1       1:CYS_52:HBR       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_41:HB1       1:CYS_53:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_42:HA        1:THR_43:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_42:HB1       1:THR_43:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PRO_42:HB2       1:THR_43:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PRO_42:HG*       1:THR_43:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_42:HD1       1:THR_50:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_43:HA        1:ALA_44:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_43:HB        1:ALA_44:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_43:HG2*      1:ALA_44:HN        -1.000  3.800  2.800 50.00 50.00 1000.000  0.00
1:THR_43:HN        1:ALA_44:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_44:HA        1:MET_45:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_44:HB*       1:MET_45:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_44:HB*       1:TYR_48:HD*       -1.000  8.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_44:HB*       1:TYR_48:HBS       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_44:HB*       1:TYR_48:HBR       -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_44:HB*       1:GLN_49:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_44:HB*       1:THR_50:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_44:HN        1:THR_50:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:MET_45:HN        1:TYR_48:HD*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:MET_45:HA        1:TRP_46:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:MET_45:HBS       1:TRP_46:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_45:HBR       1:TRP_46:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_45:HG1       1:TRP_46:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_45:HG2       1:TRP_46:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_45:HN        1:TYR_48:HBR       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_45:HBS       1:MET_45:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:MET_45:HBR       1:MET_45:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_45:HG1       1:MET_45:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_45:HG2       1:MET_45:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_45:HA        1:MET_45:HBS       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:MET_45:HA        1:MET_45:HBR       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TRP_46:HA        1:PRO_47:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TRP_46:HA        1:TYR_48:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TRP_46:HN        1:TYR_48:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HN        1:TRP_46:HE3       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HA        1:TRP_46:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HA        1:TRP_46:HB1       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TRP_46:HA        1:TRP_46:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TRP_46:HB1       1:TRP_46:HD1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TRP_46:HB2       1:TRP_46:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HB1       1:TRP_46:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TRP_46:HB2       1:TRP_46:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TRP_46:HA        1:TRP_46:HE3       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HB1       1:TRP_46:HE3       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TRP_46:HB2       1:TRP_46:HE3       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TRP_46:HD1       1:PRO_47:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HD1       1:PRO_47:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HE1       1:PRO_47:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HE1       1:PRO_47:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_46:HE1       1:PRO_47:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_47:HA        1:TYR_48:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PRO_47:HB1       1:TYR_48:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_47:HB2       1:TYR_48:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HA        1:GLN_49:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_48:HBS       1:GLN_49:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_48:HBR       1:GLN_49:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HA        1:TYR_48:HD*       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_48:HBS       1:TYR_48:HD*       -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_48:HBR       1:TYR_48:HD*       -1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_48:HBS       1:THR_50:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HA        1:ARX_28:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_48:HN        1:TYR_48:HD*       -1.000  5.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_48:HN        1:TYR_48:HE*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HA        1:TYR_48:HBS       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_48:HA        1:TYR_48:HBR       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_48:HN        1:TYR_48:HBS       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HN        1:TYR_48:HBR       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:GLN_49:HN        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:GLN_49:HN        -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_49:HG*       1:GLN_49:HE21      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:GLN_49:HG*       1:GLN_49:HE22      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:GLN_49:HB1       1:GLN_49:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLN_49:HB2       1:GLN_49:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLN_49:HG*       1:GLN_49:HN        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_49:HB1       1:GLN_49:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLN_49:HB2       1:GLN_49:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLN_49:HG*       1:GLN_49:HA        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:GLN_49:HA        1:THR_50:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLN_49:HB1       1:THR_50:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLN_49:HB2       1:THR_50:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_49:HG*       1:THR_50:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_50:HA        1:GLX_51:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_50:HB        1:GLX_51:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_50:HG2*      1:GLX_51:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_50:HA        1:THR_50:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_50:HA        1:THR_50:HG2*      -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:THR_50:HN        1:THR_50:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_50:HN        1:THR_50:HG2*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:THR_50:HN        1:GLX_51:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_51:HA        1:CYS_52:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLX_51:HB*       1:CYS_52:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_51:HG1       1:CYS_52:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_51:HG2       1:CYS_52:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_51:HN        1:CYS_52:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_51:HA        1:GLX_51:HB*       -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_51:HA        1:GLX_51:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_51:HA        1:GLX_51:HG2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_51:HB*       1:GLX_51:HN        -1.000  4.500  3.500 50.00 50.00 1000.000  0.00
1:GLX_51:HG1       1:GLX_51:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLX_51:HG2       1:GLX_51:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_52:HA        1:CYS_53:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_52:HBS       1:CYS_53:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_52:HBR       1:CYS_53:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_52:HA        1:CYS_52:HBS       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_52:HA        1:CYS_52:HBR       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_52:HN        1:CYS_52:HBS       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_52:HN        1:CYS_52:HBR       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_53:HA        1:LYX_54:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_53:HBR       1:LYX_54:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_53:HBS       1:LYX_54:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_53:HA        1:CYS_53:HBR       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_53:HA        1:CYS_53:HBS       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_53:HN        1:CYS_53:HBR       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_53:HN        1:CYS_53:HBS       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_54:HA        1:GLY_55:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LYX_54:HB1       1:GLY_55:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_54:HB2       1:GLY_55:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_54:HN        1:GLY_55:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYX_54:HA        1:LYX_54:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_54:HA        1:LYX_54:HB2       -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LYX_54:HN        1:LYX_54:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_54:HN        1:LYX_54:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYX_54:HA        1:LYX_54:HG*       -1.000  7.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_55:HA1       1:ASX_56:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLY_55:HA2       1:ASX_56:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLY_55:HA1       1:GLY_55:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_55:HA2       1:GLY_55:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASX_56:HA        1:ARX_57:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ASX_56:HB1       1:ARX_57:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASX_56:HB2       1:ARX_57:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASX_56:HB2       1:ASX_56:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASX_56:HB1       1:ASX_56:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASX_56:HB1       1:ASX_56:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ASX_56:HB2       1:ASX_56:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASX_56:HN        1:CYS_58:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASX_56:HA        1:CYS_58:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASX_56:HB2       1:ARX_57:HG*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ASX_56:HB1       1:ARX_57:HG*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_57:HN        1:CYS_58:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_57:HA        1:CYS_58:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_57:HA        1:ARX_57:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_57:HA        1:ARX_57:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_57:HN        1:ARX_57:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARX_57:HN        1:ARX_57:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARX_57:HA        1:ASN_59:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
!1:CYS_58:HBR       1:GLY_55:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_58:HN        1:ASN_59:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_58:HA        1:ASN_59:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_58:HBR       1:ASN_59:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_58:HBR       1:CYS_58:HN        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_58:HBS       1:CYS_58:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_58:HBR       1:CYS_58:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_58:HBS       1:CYS_58:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ASN_59:HN        1:LYXC_60:HN       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_59:HA        1:LYXC_60:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_59:HB1       1:ASN_59:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_59:HB2       1:ASN_59:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_59:HB1       1:ASN_59:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ASN_59:HB2       1:ASN_59:HA        -1.000  2.800  2.800 50.00 50.00 1000.000  0.00
!contraintes added 03 feb 94
1:ASN_59:HB1       1:ASN_59:HD21      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_59:HB1       1:ASN_59:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
!
#NMR_dihedral
1:ARXN_1:C         1:ILE_2:N          1:ILE_2:CA         1:ILE_2:C          -160.000 -80.000 200.00 200.00 1000.000
1:ILE_2:C          1:CYS_3:N          1:CYS_3:CA         1:CYS_3:C          -160.000 -80.000 200.00 200.00 1000.000
!1:TYR_4:C          1:SER_5:N          1:SER_5:CA         1:SER_5:C          -160.000 -80.000 200.00 200.00 1000.000
!1:HIZ_6:C         1:LYX_7:N          1:LYX_7:CA         1:LYX_7:C          -160.000 -80.000 200.00 200.00 1000.000
1:ALA_8:C          1:SER_9:N          1:SER_9:CA         1:SER_9:C          -160.000 -80.000 200.00 200.00 1000.000
1:ALA_13:C         1:THR_14:N         1:THR_14:CA        1:THR_14:C         -160.000 -80.000 200.00 200.00 1000.000
1:THR_14:C         1:LYX_15:N         1:LYX_15:CA        1:LYX_15:C         -160.000 -80.000 200.00 200.00 1000.000
1:LYX_15:C         1:THR_16:N         1:THR_16:CA        1:THR_16:C         -160.000 -80.000 200.00 200.00 1000.000
1:THR_16:C         1:CYS_17:N         1:CYS_17:CA        1:CYS_17:C         -160.000 -80.000 200.00 200.00 1000.000
1:ASN_20:C         1:THR_21:N         1:THR_21:CA        1:THR_21:C         -160.000 -80.000 200.00 200.00 1000.000
1:THR_21:C         1:CYS_22:N         1:CYS_22:CA        1:CYS_22:C         -160.000 -80.000 200.00 200.00 1000.000
1:CYS_22:C         1:TYR_23:N         1:TYR_23:CA        1:TYR_23:C         -160.000 -80.000 200.00 200.00 1000.000
1:TYR_23:C         1:LYX_24:N         1:LYX_24:CA        1:LYX_24:C         -160.000 -80.000 200.00 200.00 1000.000
1:LYX_24:C         1:MET_25:N         1:MET_25:CA        1:MET_25:C         -160.000 -80.000 200.00 200.00 1000.000
1:MET_25:C         1:PHE_26:N         1:PHE_26:CA        1:PHE_26:C         -160.000 -80.000 200.00 200.00 1000.000
1:HIZ_30:C         1:ARX_31:N         1:ARX_31:CA        1:ARX_31:C          -90.000 -40.000 200.00 200.00 1000.000
1:GLX_32:C         1:TYR_33:N         1:TYR_33:CA        1:TYR_33:C         -160.000 -80.000 200.00 200.00 1000.000
1:TYR_33:C         1:ILE_34:N         1:ILE_34:CA        1:ILE_34:C         -160.000 -80.000 200.00 200.00 1000.000
1:ILE_34:C         1:SER_35:N         1:SER_35:CA        1:SER_35:C         -160.000 -80.000 200.00 200.00 1000.000
1:GLX_36:C         1:ARX_37:N         1:ARX_37:CA        1:ARX_37:C         -160.000 -80.000 200.00 200.00 1000.000
1:TYR_48:C         1:GLN_49:N         1:GLN_49:CA        1:GLN_49:C         -160.000 -80.000 200.00 200.00 1000.000
1:GLN_49:C         1:THR_50:N         1:THR_50:CA        1:THR_50:C         -160.000 -80.000 200.00 200.00 1000.000
1:THR_50:C         1:GLX_51:N         1:GLX_51:CA        1:GLX_51:C         -160.000 -80.000 200.00 200.00 1000.000
1:GLX_51:C         1:CYS_52:N         1:CYS_52:CA        1:CYS_52:C         -160.000 -80.000 200.00 200.00 1000.000
1:CYS_52:C         1:CYS_53:N         1:CYS_53:CA        1:CYS_53:C         -160.000 -80.000 200.00 200.00 1000.000
1:CYS_53:C         1:LYX_54:N         1:LYX_54:CA        1:LYX_54:C         -160.000 -80.000 200.00 200.00 1000.000
1:ARX_57:C         1:CYS_58:N         1:CYS_58:CA        1:CYS_58:C          -90.000 -40.000 200.00 200.00 1000.000
1:ASN_59:C         1:LYXC_60:N        1:LYXC_60:CA       1:LYXC_60:C         -90.000 -40.000 200.00 200.00 1000.000
1:TRP_46:CA        1:TRP_46:C         1:PRO_47:N         1:PRO_47:CA         -10.000  10.000 200.00 200.00 1000.000
!CHI ANGLES
1:ILE_2:N          1:ILE_2:CA         1:ILE_2:CB         1:ILE_2:CG1       -120.       0. 200.00 200.00 1000.000
1:TYR_4:N          1:TYR_4:CA         1:TYR_4:CB         1:TYR_4:CG        -120.       0. 200.00 200.00 1000.000
1:ARX_37:N         1:ARX_37:CA        1:ARX_37:CB        1:ARX_37:CG       -120.       0. 200.00 200.00 1000.000
1:TYR_48:N         1:TYR_48:CA        1:TYR_48:CB        1:TYR_48:CG       -120.       0. 200.00 200.00 1000.000
1:HIZ_6:N          1:HIZ_6:CA         1:HIZ_6:CB         1:HIZ_6:CG           0.     120. 200.00 200.00 1000.000
1:LYX_7:N          1:LYX_7:CA         1:LYX_7:CB         1:LYX_7:CG           0.     120. 200.00 200.00 1000.000
1:SER_9:N          1:SER_9:CA         1:SER_9:CB         1:SER_9:OG           0.     120. 200.00 200.00 1000.000
1:THR_14:N         1:THR_14:CA        1:THR_14:CB        1:THR_14:OG1         0.    -120. 200.00 200.00 1000.000
1:LYX_15:N         1:LYX_15:CA        1:LYX_15:CB        1:LYX_15:CG          0.     120. 200.00 200.00 1000.000
1:VAL_18:N         1:VAL_18:CA        1:VAL_18:CB        1:VAL_18:CG1      -120.     120. 200.00 200.00 1000.000
1:THR_21:N         1:THR_21:CA        1:THR_21:CB        1:THR_21:OG1         0.    -120. 200.00 200.00 1000.000
1:TYR_23:N         1:TYR_23:CA        1:TYR_23:CB        1:TYR_23:CG          0.     120. 200.00 200.00 1000.000
1:LYX_24:N         1:LYX_24:CA        1:LYX_24:CB        1:LYX_24:CG          0.     120. 200.00 200.00 1000.000
1:PHE_26:N         1:PHE_26:CA        1:PHE_26:CB        1:PHE_26:CG          0.     120. 200.00 200.00 1000.000
1:TYR_33:N         1:TYR_33:CA        1:TYR_33:CB        1:TYR_33:CG        120.    -120. 200.00 200.00 1000.000
1:ILE_34:N         1:ILE_34:CA        1:ILE_34:CB        1:ILE_34:CG1      -120.       0. 200.00 200.00 1000.000
1:MET_45:N         1:MET_45:CA        1:MET_45:CB        1:MET_45:CG       -120.       0. 200.00 200.00 1000.000
1:GLX_51:N         1:GLX_51:CA        1:GLX_51:CB        1:GLX_51:CG          0.     120. 200.00 200.00 1000.000
1:LYX_54:N         1:LYX_54:CA        1:LYX_54:CB        1:LYX_54:CG          0.     120. 200.00 200.00 1000.000
1:CYS_3:N          1:CYS_3:CA         1:CYS_3:CB         1:CYS_3:SG        -120.000  0.000 200.00 200.00 1000.000
1:CYS_17:N         1:CYS_17:CA        1:CYS_17:CB        1:CYS_17:SG       -240.000  0.000 200.00 200.00 1000.000
1:CYS_22:N         1:CYS_22:CA        1:CYS_22:CB        1:CYS_22:SG       -120.000  0.000 200.00 200.00 1000.000
1:CYS_39:N         1:CYS_39:CA        1:CYS_39:CB        1:CYS_39:SG       -240.000  0.000 200.00 200.00 1000.000
1:CYS_41:N         1:CYS_41:CA        1:CYS_41:CB        1:CYS_41:SG       -240.000  0.000 200.00 200.00 1000.000
1:CYS_52:N         1:CYS_52:CA        1:CYS_52:CB        1:CYS_52:SG       -120.000  0.000 200.00 200.00 1000.000
1:CYS_53:N         1:CYS_53:CA        1:CYS_53:CB        1:CYS_53:SG          0.000 120.000 200.00 200.00 1000.000
1:CYS_58:N         1:CYS_58:CA        1:CYS_58:CB        1:CYS_58:SG          0.000 120.000 200.00 200.00 1000.000
1:ASN_59:N         1:ASN_59:CA        1:ASN_59:CB        1:ASN_59:CG          0.    120. 200.00 200.00 1000.000

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  484 H/Q atoms
  Start of MODEL    1
    1    NH1  ARG   1           NH1      ARG   1  12.574   4.666   5.142
    2    NH2  ARG   1           NH2      ARG   1  11.444   6.674   5.073
    3   1H    ARG   1          2H        ARG   1  14.723   2.810  -0.181
    4   2H    ARG   1          3H        ARG   1  13.624   3.698  -1.025
    5   3H    ARG   1          1H        ARG   1  14.413   4.385   0.247
    6    HA   ARG   1           HA       ARG   1  13.311   2.899   1.769
    7   1HB   ARG   1          2HB       ARG   1  12.228   5.054   1.292
    8   2HB   ARG   1          1HB       ARG   1  11.540   4.398  -0.198
    9   1HG   ARG   1          1HG       ARG   1   9.781   4.500   1.339
   10   2HG   ARG   1          2HG       ARG   1  10.168   2.794   1.170
   11   1HD   ARG   1          2HD       ARG   1   9.807   3.165   3.451
   12   2HD   ARG   1          1HD       ARG   1  11.563   3.038   3.327
   13    HE   ARG   1           HE       ARG   1  10.060   5.649   3.360
   14   1HH1  ARG   1          1HH1      ARG   1  12.716   3.699   4.866
   15   2HH1  ARG   1          2HH1      ARG   1  13.191   5.044   5.844
   16   1HH2  ARG   1          1HH2      ARG   1  10.714   7.264   4.678
   17   2HH2  ARG   1          2HH2      ARG   1  12.061   7.082   5.759
   18    H    ILE   2           H        ILE   2  12.888   0.696   1.862
   19    HA   ILE   2           HA       ILE   2  11.813  -0.679  -0.524
   20    HB   ILE   2           HB       ILE   2  13.733  -1.347   1.443
   21   1HG1  ILE   2          2HG1      ILE   2  13.597  -1.988  -0.983
   22   2HG1  ILE   2          1HG1      ILE   2  14.097  -3.273   0.118
   23   1HG2  ILE   2          2HG2      ILE   2  11.273  -3.095   1.829
   24   2HG2  ILE   2          3HG2      ILE   2  12.924  -3.508   2.325
   25   3HG2  ILE   2          1HG2      ILE   2  12.129  -2.106   3.039
   26   1HD1  ILE   2          1HD1      ILE   2  11.199  -2.978  -0.770
   27   2HD1  ILE   2          3HD1      ILE   2  12.393  -3.958  -1.644
   28   3HD1  ILE   2          2HD1      ILE   2  11.964  -4.362   0.025
   29    H    CYS   3           H        CYS   3   9.641  -1.115  -0.691
   30    HA   CYS   3           HA       CYS   3   8.023  -1.260   1.787
   31   1HB   CYS   3          1HB       CYS   3   7.949   1.024  -0.162
   32   2HB   CYS   3          2HB       CYS   3   6.410   0.407   0.423
   33    OH   TYR   4           OH       TYR   4   5.666  -7.269   4.858
   34    H    TYR   4           H        TYR   4   5.629  -1.664   1.121
   35    HA   TYR   4           HA       TYR   4   5.801  -4.022  -0.624
   36   1HB   TYR   4          2HB       TYR   4   3.671  -2.835   1.161
   37   2HB   TYR   4          1HB       TYR   4   3.409  -4.229   0.127
   38    HD1  TYR   4           HD1      TYR   4   4.571  -6.392   0.534
   39    HD2  TYR   4           HD2      TYR   4   4.895  -3.082   3.281
   40    HE1  TYR   4           HE1      TYR   4   5.187  -7.952   2.372
   41    HE2  TYR   4           HE2      TYR   4   5.382  -4.643   5.116
   42    HH   TYR   4           HH       TYR   4   5.699  -6.846   5.718
   43    H    SER   5           H        SER   5   4.571  -4.337  -2.459
   44    HA   SER   5           HA       SER   5   3.092  -1.975  -3.567
   45   1HB   SER   5          2HB       SER   5   4.131  -2.542  -5.768
   46   2HB   SER   5          1HB       SER   5   5.262  -1.934  -4.548
   47    HG   SER   5           HG       SER   5   6.195  -3.762  -5.457
   48    H    HIS   6           H        HIS   6   3.794  -4.892  -5.195
   49    HA   HIS   6           HA       HIS   6   2.502  -6.323  -6.400
   50   1HB   HIS   6          1HB       HIS   6   1.307  -7.924  -5.036
   51   2HB   HIS   6          2HB       HIS   6   2.961  -7.632  -4.490
   52    HD1  HIS   6           HD1      HIS   6   3.306  -6.254  -2.240
   53    HD2  HIS   6           HD2      HIS   6  -0.663  -7.343  -3.090
   54    HE1  HIS   6           HE1      HIS   6   1.974  -6.070  -0.082
   55    H    LYS   7           H        LYS   7   1.097  -5.675  -7.826
   56    HA   LYS   7           HA       LYS   7  -1.320  -4.224  -7.179
   57   1HB   LYS   7          1HB       LYS   7  -1.806  -4.265  -9.515
   58   2HB   LYS   7          2HB       LYS   7  -0.122  -3.893  -9.243
   59   1HG   LYS   7          2HG       LYS   7  -0.069  -5.237 -11.104
   60   2HG   LYS   7          1HG       LYS   7   0.464  -6.306  -9.822
   61   1HD   LYS   7          2HD       LYS   7  -1.056  -7.332 -11.523
   62   2HD   LYS   7          1HD       LYS   7  -1.641  -7.533  -9.889
   63   1HE   LYS   7          1HE       LYS   7  -3.444  -6.978 -11.475
   64   2HE   LYS   7          2HE       LYS   7  -3.318  -5.767 -10.201
   65   1HZ   LYS   7          1HZ       LYS   7  -2.213  -5.532 -12.921
   66   2HZ   LYS   7          3HZ       LYS   7  -3.570  -4.784 -12.357
   67   3HZ   LYS   7          2HZ       LYS   7  -2.095  -4.387 -11.740
   68    H    ALA   8           H        ALA   8  -0.522  -7.618  -7.444
   69    HA   ALA   8           HA       ALA   8  -3.301  -8.547  -7.625
   70   1HB   ALA   8          3HB       ALA   8  -0.683  -9.990  -7.012
   71   2HB   ALA   8          1HB       ALA   8  -2.265 -10.766  -7.240
   72   3HB   ALA   8          2HB       ALA   8  -1.499  -9.901  -8.587
   73    H    SER   9           H        SER   9  -4.491  -7.784  -5.834
   74    HA   SER   9           HA       SER   9  -3.304  -7.510  -3.264
   75   1HB   SER   9          2HB       SER   9  -5.920  -6.963  -2.894
   76   2HB   SER   9          1HB       SER   9  -4.848  -5.889  -3.801
   77    HG   SER   9           HG       SER   9  -6.690  -6.257  -5.003
   78    H    LEU  10           H        LEU  10  -2.756  -9.967  -3.527
   79    HA   LEU  10           HA       LEU  10  -4.312 -11.343  -1.495
   80   1HB   LEU  10          2HB       LEU  10  -5.601 -12.131  -3.288
   81   2HB   LEU  10          1HB       LEU  10  -4.225 -12.457  -4.310
   82    HG   LEU  10           HG       LEU  10  -3.520 -14.291  -2.718
   83   1HD1  LEU  10          1HD1      LEU  10  -6.157 -13.606  -1.338
   84   2HD1  LEU  10          3HD1      LEU  10  -5.193 -15.067  -1.040
   85   3HD1  LEU  10          2HD1      LEU  10  -4.534 -13.482  -0.623
   86   1HD2  LEU  10          1HD2      LEU  10  -4.899 -14.770  -4.705
   87   2HD2  LEU  10          2HD2      LEU  10  -5.310 -15.846  -3.358
   88   3HD2  LEU  10          3HD2      LEU  10  -6.375 -14.482  -3.759
   89    HA   PRO  11           HA       PRO  11   0.013 -13.247  -1.776
   90   1HB   PRO  11          2HB       PRO  11   1.635 -12.857  -3.957
   91   2HB   PRO  11          1HB       PRO  11   0.419 -14.161  -3.886
   92   1HG   PRO  11          1HG       PRO  11   0.107 -11.406  -5.126
   93   2HG   PRO  11          2HG       PRO  11  -0.238 -12.984  -5.898
   94   1HD   PRO  11          1HD       PRO  11  -2.219 -11.524  -4.749
   95   2HD   PRO  11          2HD       PRO  11  -2.183 -13.297  -4.526
   96    NH1  ARG  12           NH2      ARG  12   0.629  -7.501   4.319
   97    NH2  ARG  12           NH1      ARG  12   2.048  -6.065   3.277
   98    H    ARG  12           H        ARG  12   2.378 -12.140  -1.776
   99    HA   ARG  12           HA       ARG  12   2.096  -9.185  -1.609
  100   1HB   ARG  12          2HB       ARG  12   3.199 -10.984   0.589
  101   2HB   ARG  12          1HB       ARG  12   3.349  -9.223   0.508
  102   1HG   ARG  12          2HG       ARG  12   0.778  -9.125   0.392
  103   2HG   ARG  12          1HG       ARG  12   0.780 -10.853   0.765
  104   1HD   ARG  12          2HD       ARG  12   0.417  -9.624   2.784
  105   2HD   ARG  12          1HD       ARG  12   2.035 -10.341   2.893
  106    HE   ARG  12           HE       ARG  12   2.785  -8.017   1.969
  107   1HH1  ARG  12          2HH2      ARG  12   0.224  -8.407   4.485
  108   2HH1  ARG  12          1HH2      ARG  12   0.315  -6.671   4.832
  109   1HH2  ARG  12          1HH1      ARG  12   2.724  -5.815   2.578
  110   2HH2  ARG  12          2HH1      ARG  12   1.599  -5.345   3.845
  111    H    ALA  13           H        ALA  13   3.992  -8.053  -1.860
  112    HA   ALA  13           HA       ALA  13   6.557  -9.224  -2.258
  113   1HB   ALA  13          1HB       ALA  13   5.527  -9.840  -4.463
  114   2HB   ALA  13          3HB       ALA  13   5.148  -8.125  -4.742
  115   3HB   ALA  13          2HB       ALA  13   6.833  -8.654  -4.629
  116    H    THR  14           H        THR  14   8.125  -7.506  -2.593
  117    HA   THR  14           HA       THR  14   7.177  -4.769  -1.971
  118    HB   THR  14           HB       THR  14   9.198  -4.622  -0.490
  119    HG1  THR  14           HG1      THR  14  10.195  -6.521  -1.619
  120   1HG2  THR  14          3HG2      THR  14   7.205  -6.812   0.239
  121   2HG2  THR  14          2HG2      THR  14   8.403  -6.175   1.357
  122   3HG2  THR  14          1HG2      THR  14   7.192  -5.088   0.703
  123    H    LYS  15           H        LYS  15   8.668  -3.087  -2.523
  124    HA   LYS  15           HA       LYS  15  10.853  -3.800  -4.378
  125   1HB   LYS  15          2HB       LYS  15  10.111  -2.376  -6.142
  126   2HB   LYS  15          1HB       LYS  15   8.830  -3.556  -5.831
  127   1HG   LYS  15          2HG       LYS  15   7.632  -1.820  -4.459
  128   2HG   LYS  15          1HG       LYS  15   8.865  -0.638  -4.883
  129   1HD   LYS  15          1HD       LYS  15   7.016  -2.065  -6.844
  130   2HD   LYS  15          2HD       LYS  15   6.883  -0.387  -6.305
  131   1HE   LYS  15          1HE       LYS  15   9.140  -1.577  -7.991
  132   2HE   LYS  15          2HE       LYS  15   7.862  -0.493  -8.534
  133   1HZ   LYS  15          2HZ       LYS  15   8.722   1.192  -7.097
  134   2HZ   LYS  15          3HZ       LYS  15   9.938   0.213  -6.568
  135   3HZ   LYS  15          1HZ       LYS  15   9.881   0.676  -8.144
  136    H    THR  16           H        THR  16  12.176  -1.896  -4.898
  137    HA   THR  16           HA       THR  16  12.436  -0.142  -2.535
  138    HB   THR  16           HB       THR  16  14.413  -1.357  -3.428
  139    HG1  THR  16           HG1      THR  16  15.708   0.537  -3.332
  140   1HG2  THR  16          1HG2      THR  16  13.911  -1.126  -5.891
  141   2HG2  THR  16          3HG2      THR  16  14.240   0.614  -5.764
  142   3HG2  THR  16          2HG2      THR  16  15.528  -0.559  -5.449
  143    H    CYS  17           H        CYS  17  12.265   2.070  -2.671
  144    HA   CYS  17           HA       CYS  17  11.420   3.388  -5.187
  145   1HB   CYS  17          1HB       CYS  17   9.850   3.219  -2.585
  146   2HB   CYS  17          2HB       CYS  17   9.572   4.483  -3.795
  147    H    VAL  18           H        VAL  18  11.606   5.680  -5.033
  148    HA   VAL  18           HA       VAL  18  13.833   6.575  -3.382
  149    HB   VAL  18           HB       VAL  18  12.054   8.048  -5.379
  150   1HG1  VAL  18          1HG2      VAL  18  14.748   8.801  -4.159
  151   2HG1  VAL  18          2HG2      VAL  18  13.958   9.653  -5.502
  152   3HG1  VAL  18          3HG2      VAL  18  13.205   9.646  -3.905
  153   1HG2  VAL  18          2HG1      VAL  18  14.787   6.729  -5.717
  154   2HG2  VAL  18          1HG1      VAL  18  13.269   6.184  -6.462
  155   3HG2  VAL  18          3HG1      VAL  18  13.972   7.733  -6.933
  156    H    GLU  19           H        GLU  19  10.303   7.051  -3.489
  157    HA   GLU  19           HA       GLU  19   9.987   9.280  -1.900
  158   1HB   GLU  19          1HB       GLU  19   8.316   6.721  -1.969
  159   2HB   GLU  19          2HB       GLU  19   7.807   8.183  -1.131
  160   1HG   GLU  19          1HG       GLU  19   8.483   8.186  -4.067
  161   2HG   GLU  19          2HG       GLU  19   6.853   7.925  -3.432
  162    H    ASN  20           H        ASN  20   9.844   9.780   0.167
  163    HA   ASN  20           HA       ASN  20  11.161   8.134   2.188
  164   1HB   ASN  20          2HB       ASN  20  11.410  10.540   2.304
  165   2HB   ASN  20          1HB       ASN  20   9.658  10.784   2.231
  166   1HD2  ASN  20          2HD2      ASN  20   9.358  10.711   5.734
  167   2HD2  ASN  20          1HD2      ASN  20   8.746  11.297   4.198
  168    H    THR  21           H        THR  21   7.880   8.614   0.973
  169    HA   THR  21           HA       THR  21   6.686   7.317   3.348
  170    HB   THR  21           HB       THR  21   4.607   8.420   2.267
  171    HG1  THR  21           HG1      THR  21   5.147  10.175   0.912
  172   1HG2  THR  21          3HG2      THR  21   6.824  10.173   3.404
  173   2HG2  THR  21          2HG2      THR  21   5.110  10.624   3.280
  174   3HG2  THR  21          1HG2      THR  21   5.593   9.281   4.327
  175    H    CYS  22           H        CYS  22   4.813   5.889   2.861
  176    HA   CYS  22           HA       CYS  22   4.645   4.746   0.172
  177   1HB   CYS  22          1HB       CYS  22   4.926   3.011   2.586
  178   2HB   CYS  22          2HB       CYS  22   4.936   2.518   0.890
  179    OH   TYR  23           OH       TYR  23  -0.546   3.616  -5.342
  180    H    TYR  23           H        TYR  23   2.611   3.604  -0.049
  181    HA   TYR  23           HA       TYR  23   0.682   4.154   2.178
  182   1HB   TYR  23          1HB       TYR  23  -1.110   4.320   0.548
  183   2HB   TYR  23          2HB       TYR  23   0.124   5.533   0.328
  184    HD1  TYR  23           HD1      TYR  23  -1.265   2.325  -1.045
  185    HD2  TYR  23           HD2      TYR  23   1.403   5.615  -1.766
  186    HE1  TYR  23           HE1      TYR  23  -1.500   2.001  -3.494
  187    HE2  TYR  23           HE2      TYR  23   1.004   5.420  -4.198
  188    HH   TYR  23           HH       TYR  23  -0.399   4.460  -5.790
  189    H    LYS  24           H        LYS  24  -1.024   2.840   2.369
  190    HA   LYS  24           HA       LYS  24  -0.838   0.089   1.304
  191   1HB   LYS  24          1HB       LYS  24  -1.937  -0.455   3.652
  192   2HB   LYS  24          2HB       LYS  24  -0.185  -0.456   3.402
  193   1HG   LYS  24          2HG       LYS  24   0.071   1.682   4.456
  194   2HG   LYS  24          1HG       LYS  24  -1.686   1.896   4.540
  195   1HD   LYS  24          1HD       LYS  24  -1.923  -0.028   6.024
  196   2HD   LYS  24          2HD       LYS  24  -0.218  -0.439   5.861
  197   1HE   LYS  24          1HE       LYS  24  -1.278   2.118   7.154
  198   2HE   LYS  24          2HE       LYS  24  -0.775   0.661   8.023
  199   1HZ   LYS  24          3HZ       LYS  24   1.428   0.937   7.138
  200   2HZ   LYS  24          1HZ       LYS  24   0.959   2.286   6.314
  201   3HZ   LYS  24          2HZ       LYS  24   0.955   2.283   7.958
  202    H    MET  25           H        MET  25  -2.778  -0.745   0.654
  203    HA   MET  25           HA       MET  25  -5.049   1.166   0.507
  204   1HB   MET  25          2HB       MET  25  -3.673   0.919  -1.526
  205   2HB   MET  25          1HB       MET  25  -4.044  -0.802  -1.460
  206   1HG   MET  25          1HG       MET  25  -6.466  -0.289  -1.702
  207   2HG   MET  25          2HG       MET  25  -6.039   1.407  -1.932
  208   1HE   MET  25          3HE       MET  25  -3.968   1.878  -3.751
  209   2HE   MET  25          2HE       MET  25  -3.128   0.308  -3.840
  210   3HE   MET  25          1HE       MET  25  -3.872   1.003  -5.296
  211    H    PHE  26           H        PHE  26  -7.030   0.407   1.096
  212    HA   PHE  26           HA       PHE  26  -7.487  -2.523   1.413
  213   1HB   PHE  26          1HB       PHE  26  -8.822  -1.876   3.476
  214   2HB   PHE  26          2HB       PHE  26  -7.077  -1.730   3.634
  215    HD1  PHE  26           HD2      PHE  26 -10.233   0.205   3.299
  216    HD2  PHE  26           HD1      PHE  26  -5.961   0.434   3.862
  217    HE1  PHE  26           HE2      PHE  26 -10.403   2.651   3.677
  218    HE2  PHE  26           HE1      PHE  26  -6.142   2.879   4.152
  219    HZ   PHE  26           HZ       PHE  26  -8.361   3.992   4.104
  220    H    ILE  27           H        ILE  27  -9.799  -3.077   1.263
  221    HA   ILE  27           HA       ILE  27 -11.195  -1.355  -0.670
  222    HB   ILE  27           HB       ILE  27 -12.077  -3.877   0.771
  223   1HG1  ILE  27          1HG1      ILE  27 -11.171  -3.306  -2.100
  224   2HG1  ILE  27          2HG1      ILE  27 -10.231  -4.153  -0.864
  225   1HG2  ILE  27          1HG2      ILE  27 -13.408  -2.244  -1.445
  226   2HG2  ILE  27          3HG2      ILE  27 -13.987  -3.817  -0.867
  227   3HG2  ILE  27          2HG2      ILE  27 -14.012  -2.433   0.209
  228   1HD1  ILE  27          2HD1      ILE  27 -12.088  -5.879  -0.755
  229   2HD1  ILE  27          3HD1      ILE  27 -12.783  -5.109  -2.204
  230   3HD1  ILE  27          1HD1      ILE  27 -11.165  -5.818  -2.276
  231    NH1  ARG  28           NH2      ARG  28 -18.140   3.244   0.415
  232    NH2  ARG  28           NH1      ARG  28 -17.264   5.386   0.496
  233    H    ARG  28           H        ARG  28 -12.690   0.169  -0.148
  234    HA   ARG  28           HA       ARG  28 -12.606   1.491   2.249
  235   1HB   ARG  28          1HB       ARG  28 -14.467   2.761   1.458
  236   2HB   ARG  28          2HB       ARG  28 -13.476   2.241   0.087
  237   1HG   ARG  28          1HG       ARG  28 -15.170   0.406  -0.344
  238   2HG   ARG  28          2HG       ARG  28 -16.214   1.264   0.819
  239   1HD   ARG  28          1HD       ARG  28 -15.010   2.384  -1.743
  240   2HD   ARG  28          2HD       ARG  28 -16.701   1.951  -1.526
  241    HE   ARG  28           HE       ARG  28 -15.328   4.368  -0.700
  242   1HH1  ARG  28          2HH2      ARG  28 -18.044   2.280   0.134
  243   2HH1  ARG  28          1HH2      ARG  28 -18.972   3.542   0.902
  244   1HH2  ARG  28          2HH1      ARG  28 -16.544   6.043   0.236
  245   2HH2  ARG  28          1HH1      ARG  28 -18.079   5.716   0.992
  246    H    THR  29           H        THR  29 -15.126  -0.781   1.305
  247    HA   THR  29           HA       THR  29 -16.591  -0.706   3.782
  248    HB   THR  29           HB       THR  29 -17.567  -2.895   2.811
  249    HG1  THR  29           HG1      THR  29 -16.390  -3.694   1.235
  250   1HG2  THR  29          1HG2      THR  29 -18.604  -0.654   2.462
  251   2HG2  THR  29          3HG2      THR  29 -17.627  -0.458   0.989
  252   3HG2  THR  29          2HG2      THR  29 -18.827  -1.753   1.088
  253    H    HIS  30           H        HIS  30 -13.538  -2.196   3.132
  254    HA   HIS  30           HA       HIS  30 -13.859  -4.000   5.488
  255   1HB   HIS  30          1HB       HIS  30 -12.433  -4.781   2.928
  256   2HB   HIS  30          2HB       HIS  30 -12.803  -5.798   4.326
  257    HD1  HIS  30           HD1      HIS  30 -15.765  -5.450   4.741
  258    HD2  HIS  30           HD2      HIS  30 -14.113  -5.363   0.895
  259    HE1  HIS  30           HE1      HIS  30 -17.668  -5.774   3.099
  260    NH1  ARG  31           NH2      ARG  31 -12.903   2.886   4.657
  261    NH2  ARG  31           NH1      ARG  31 -12.266   4.834   5.708
  262    H    ARG  31           H        ARG  31 -12.902  -1.928   6.365
  263    HA   ARG  31           HA       ARG  31 -10.343  -1.010   5.831
  264   1HB   ARG  31          1HB       ARG  31 -11.814  -1.402   8.485
  265   2HB   ARG  31          2HB       ARG  31 -10.342  -0.453   8.309
  266   1HG   ARG  31          1HG       ARG  31 -12.993   0.167   6.901
  267   2HG   ARG  31          2HG       ARG  31 -12.350   0.946   8.347
  268   1HD   ARG  31          2HD       ARG  31 -10.219   1.397   6.859
  269   2HD   ARG  31          1HD       ARG  31 -11.302   1.063   5.512
  270    HE   ARG  31           HE       ARG  31 -11.385   3.304   7.469
  271   1HH1  ARG  31          2HH2      ARG  31 -13.106   1.891   4.689
  272   2HH1  ARG  31          1HH2      ARG  31 -13.142   3.414   3.824
  273   1HH2  ARG  31          1HH1      ARG  31 -11.815   5.313   6.472
  274   2HH2  ARG  31          2HH1      ARG  31 -12.661   5.365   4.945
  275    H    GLU  32           H        GLU  32 -11.276  -3.767   7.857
  276    HA   GLU  32           HA       GLU  32  -8.559  -4.448   8.615
  277   1HB   GLU  32          1HB       GLU  32 -11.208  -5.942   8.904
  278   2HB   GLU  32          2HB       GLU  32  -9.683  -6.351   9.695
  279   1HG   GLU  32          1HG       GLU  32  -9.650  -4.126  10.806
  280   2HG   GLU  32          2HG       GLU  32 -11.228  -3.748  10.100
  281    OH   TYR  33           OH       TYR  33  -7.934  -8.534  -1.211
  282    H    TYR  33           H        TYR  33  -8.521  -4.295   5.917
  283    HA   TYR  33           HA       TYR  33  -7.540  -6.913   5.171
  284   1HB   TYR  33          1HB       TYR  33  -9.864  -7.275   4.560
  285   2HB   TYR  33          2HB       TYR  33  -9.933  -5.702   3.763
  286    HD1  TYR  33           HD2      TYR  33  -7.042  -8.049   3.234
  287    HD2  TYR  33           HD1      TYR  33 -10.797  -6.565   1.701
  288    HE1  TYR  33           HE2      TYR  33  -6.450  -8.864   0.986
  289    HE2  TYR  33           HE1      TYR  33 -10.208  -7.445  -0.541
  290    HH   TYR  33           HH       TYR  33  -7.049  -8.905  -1.339
  291    H    ILE  34           H        ILE  34  -5.579  -5.698   5.134
  292    HA   ILE  34           HA       ILE  34  -5.384  -3.358   3.372
  293    HB   ILE  34           HB       ILE  34  -3.096  -4.934   4.592
  294   1HG1  ILE  34          1HG1      ILE  34  -4.427  -4.328   6.479
  295   2HG1  ILE  34          2HG1      ILE  34  -3.045  -3.244   6.377
  296   1HG2  ILE  34          1HG2      ILE  34  -2.617  -3.336   2.706
  297   2HG2  ILE  34          2HG2      ILE  34  -3.443  -2.065   3.589
  298   3HG2  ILE  34          3HG2      ILE  34  -1.939  -2.763   4.240
  299   1HD1  ILE  34          1HD1      ILE  34  -4.518  -1.452   5.448
  300   2HD1  ILE  34          2HD1      ILE  34  -5.908  -2.560   5.565
  301   3HD1  ILE  34          3HD1      ILE  34  -5.064  -2.033   7.024
  302    H    SER  35           H        SER  35  -5.756  -3.805   1.384
  303    HA   SER  35           HA       SER  35  -5.669  -6.489   0.278
  304   1HB   SER  35          2HB       SER  35  -6.604  -3.814  -0.863
  305   2HB   SER  35          1HB       SER  35  -7.001  -5.426  -1.469
  306    HG   SER  35           HG       SER  35  -7.607  -4.820   1.228
  307    H    GLU  36           H        GLU  36  -4.338  -3.277  -0.617
  308    HA   GLU  36           HA       GLU  36  -2.288  -4.610  -2.326
  309   1HB   GLU  36          1HB       GLU  36  -4.548  -3.448  -3.420
  310   2HB   GLU  36          2HB       GLU  36  -3.488  -2.048  -3.312
  311   1HG   GLU  36          2HG       GLU  36  -1.782  -3.229  -4.654
  312   2HG   GLU  36          1HG       GLU  36  -2.814  -4.671  -4.705
  313    NH1  ARG  37           NH2      ARG  37  -1.207  -5.495   2.876
  314    NH2  ARG  37           NH1      ARG  37  -1.686  -6.249   0.765
  315    H    ARG  37           H        ARG  37  -0.474  -2.848  -2.803
  316    HA   ARG  37           HA       ARG  37  -0.418  -0.680  -0.794
  317   1HB   ARG  37          1HB       ARG  37   1.316  -3.169  -0.835
  318   2HB   ARG  37          2HB       ARG  37   2.050  -1.629  -0.393
  319   1HG   ARG  37          1HG       ARG  37   1.094  -1.483   1.575
  320   2HG   ARG  37          2HG       ARG  37  -0.471  -2.017   1.040
  321   1HD   ARG  37          1HD       ARG  37   1.757  -3.904   1.738
  322   2HD   ARG  37          2HD       ARG  37   0.366  -3.473   2.718
  323    HE   ARG  37           HE       ARG  37   0.055  -4.706   0.007
  324   1HH1  ARG  37          1HH2      ARG  37  -0.599  -5.042   3.565
  325   2HH1  ARG  37          2HH2      ARG  37  -1.991  -6.042   3.205
  326   1HH2  ARG  37          1HH1      ARG  37  -1.393  -6.383  -0.200
  327   2HH2  ARG  37          2HH1      ARG  37  -2.508  -6.722   1.125
  328    H    GLY  38           H        GLY  38   1.602   0.702  -1.130
  329   1HA   GLY  38          1HA       GLY  38   2.893   0.559  -3.702
  330   2HA   GLY  38          2HA       GLY  38   1.597   1.767  -3.702
  331    H    CYS  39           H        CYS  39   3.943   2.856  -4.148
  332    HA   CYS  39           HA       CYS  39   5.304   3.599  -1.634
  333   1HB   CYS  39          1HB       CYS  39   5.991   3.846  -4.572
  334   2HB   CYS  39          2HB       CYS  39   6.920   4.593  -3.274
  335    H    GLY  40           H        GLY  40   5.749   5.863  -1.184
  336   1HA   GLY  40          1HA       GLY  40   5.330   8.077  -1.113
  337   2HA   GLY  40          2HA       GLY  40   4.370   7.994  -2.580
  338    H    CYS  41           H        CYS  41   2.194   8.169  -2.316
  339    HA   CYS  41           HA       CYS  41   0.636   7.570   0.040
  340   1HB   CYS  41          1HB       CYS  41   2.016   9.616   0.281
  341   2HB   CYS  41          2HB       CYS  41   1.036  10.399  -0.956
  342    HA   PRO  42           HA       PRO  42  -2.718   6.490  -2.383
  343   1HB   PRO  42          1HB       PRO  42  -3.540   9.343  -2.853
  344   2HB   PRO  42          2HB       PRO  42  -4.638   7.962  -2.688
  345   1HG   PRO  42          1HG       PRO  42  -3.892   9.529  -0.533
  346   2HG   PRO  42          2HG       PRO  42  -4.249   7.800  -0.346
  347   1HD   PRO  42          1HD       PRO  42  -1.727   9.150  -0.173
  348   2HD   PRO  42          2HD       PRO  42  -2.050   7.412   0.187
  349    H    THR  43           H        THR  43  -3.506   5.952  -4.060
  350    HA   THR  43           HA       THR  43  -3.926   6.918  -6.549
  351    HB   THR  43           HB       THR  43  -2.115   4.771  -7.247
  352    HG1  THR  43           HG1      THR  43  -0.909   7.036  -5.998
  353   1HG2  THR  43          1HG2      THR  43  -3.133   6.380  -8.777
  354   2HG2  THR  43          2HG2      THR  43  -2.209   7.707  -8.034
  355   3HG2  THR  43          3HG2      THR  43  -1.364   6.410  -8.916
  356    H    ALA  44           H        ALA  44  -5.585   5.544  -7.144
  357    HA   ALA  44           HA       ALA  44  -5.872   2.792  -6.579
  358   1HB   ALA  44          2HB       ALA  44  -7.054   4.678  -4.473
  359   2HB   ALA  44          1HB       ALA  44  -7.559   2.999  -4.678
  360   3HB   ALA  44          3HB       ALA  44  -5.916   3.349  -4.171
  361    H    MET  45           H        MET  45  -8.226   2.122  -6.855
  362    HA   MET  45           HA       MET  45  -9.929   4.073  -8.258
  363   1HB   MET  45          2HB       MET  45  -9.438   1.101  -8.797
  364   2HB   MET  45          1HB       MET  45 -10.550   2.175  -9.640
  365   1HG   MET  45          2HG       MET  45  -8.758   2.230 -11.087
  366   2HG   MET  45          1HG       MET  45  -8.392   3.621 -10.067
  367   1HE   MET  45          3HE       MET  45  -7.549  -0.033 -11.003
  368   2HE   MET  45          2HE       MET  45  -6.104  -0.389 -10.029
  369   3HE   MET  45          1HE       MET  45  -7.694  -0.306  -9.247
  370    CH2  TRP  46           CH2      TRP  46 -18.008   5.341  -2.861
  371    H    TRP  46           H        TRP  46 -12.134   3.843  -7.707
  372    HA   TRP  46           HA       TRP  46 -12.779   2.845  -5.121
  373   1HB   TRP  46          2HB       TRP  46 -13.969   4.593  -6.088
  374   2HB   TRP  46          1HB       TRP  46 -14.477   3.639  -7.428
  375    HD1  TRP  46           HD1      TRP  46 -16.130   1.339  -6.460
  376    HE1  TRP  46           HE1      TRP  46 -18.139   1.565  -4.846
  377    HE3  TRP  46           HE3      TRP  46 -15.153   5.939  -4.675
  378    HZ2  TRP  46           HZ2      TRP  46 -19.168   3.520  -3.000
  379    HZ3  TRP  46           HZ3      TRP  46 -16.666   7.029  -2.965
  380    HH2  TRP  46           HH2      TRP  46 -18.672   5.808  -2.148
  381    HA   PRO  47           HA       PRO  47 -14.369   1.650  -3.933
  382   1HB   PRO  47          2HB       PRO  47 -14.888  -0.569  -2.516
  383   2HB   PRO  47          1HB       PRO  47 -15.856  -0.166  -3.954
  384   1HG   PRO  47          2HG       PRO  47 -13.459  -2.036  -3.838
  385   2HG   PRO  47          1HG       PRO  47 -15.098  -2.408  -4.453
  386   1HD   PRO  47          1HD       PRO  47 -13.053  -1.567  -6.094
  387   2HD   PRO  47          2HD       PRO  47 -14.750  -1.101  -6.392
  388    OH   TYR  48           OH       TYR  48  -6.978  -4.425  -5.064
  389    H    TYR  48           H        TYR  48 -11.274   0.964  -4.649
  390    HA   TYR  48           HA       TYR  48 -10.334   0.183  -1.991
  391   1HB   TYR  48          1HB       TYR  48  -8.919   1.301  -4.427
  392   2HB   TYR  48          2HB       TYR  48  -8.141   0.885  -2.914
  393    HD1  TYR  48           HD1      TYR  48  -9.052  -1.701  -2.109
  394    HD2  TYR  48           HD2      TYR  48  -8.332  -0.215  -6.098
  395    HE1  TYR  48           HE1      TYR  48  -8.249  -3.930  -2.808
  396    HE2  TYR  48           HE2      TYR  48  -7.321  -2.381  -6.713
  397    HH   TYR  48           HH       TYR  48  -6.273  -4.242  -5.702
  398    H    GLN  49           H        GLN  49  -9.227   1.486  -0.507
  399    HA   GLN  49           HA       GLN  49  -9.119   4.393  -0.889
  400   1HB   GLN  49          2HB       GLN  49 -10.539   2.822   1.167
  401   2HB   GLN  49          1HB       GLN  49  -9.742   4.324   1.645
  402   1HG   GLN  49          1HG       GLN  49 -11.008   5.545  -0.123
  403   2HG   GLN  49          2HG       GLN  49 -11.797   4.033  -0.604
  404   1HE2  GLN  49          1HE2      GLN  49 -14.264   5.773   1.472
  405   2HE2  GLN  49          2HE2      GLN  49 -13.506   5.993  -0.101
  406    H    THR  50           H        THR  50  -7.130   5.110  -0.312
  407    HA   THR  50           HA       THR  50  -5.140   3.277   0.804
  408    HB   THR  50           HB       THR  50  -3.836   5.517  -0.067
  409    HG1  THR  50           HG1      THR  50  -5.038   6.100  -2.019
  410   1HG2  THR  50          3HG2      THR  50  -3.451   3.228  -0.858
  411   2HG2  THR  50          2HG2      THR  50  -4.874   3.370  -1.927
  412   3HG2  THR  50          1HG2      THR  50  -3.454   4.396  -2.186
  413    H    GLU  51           H        GLU  51  -3.653   3.860   2.373
  414    HA   GLU  51           HA       GLU  51  -3.952   6.458   3.757
  415   1HB   GLU  51          2HB       GLU  51  -3.875   5.512   5.964
  416   2HB   GLU  51          1HB       GLU  51  -5.273   4.872   5.091
  417   1HG   GLU  51          2HG       GLU  51  -3.740   2.921   4.454
  418   2HG   GLU  51          1HG       GLU  51  -2.626   3.520   5.706
  419    H    CYS  52           H        CYS  52  -1.904   7.297   4.436
  420    HA   CYS  52           HA       CYS  52   0.379   5.972   3.165
  421   1HB   CYS  52          2HB       CYS  52   0.306   8.750   4.286
  422   2HB   CYS  52          1HB       CYS  52   1.323   8.076   3.009
  423    H    CYS  53           H        CYS  53   2.496   6.284   4.165
  424    HA   CYS  53           HA       CYS  53   2.784   6.748   7.013
  425   1HB   CYS  53          1HB       CYS  53   3.598   4.532   7.623
  426   2HB   CYS  53          2HB       CYS  53   1.928   4.435   7.058
  427    H    LYS  54           H        LYS  54   5.257   6.073   7.565
  428    HA   LYS  54           HA       LYS  54   7.041   6.433   5.275
  429   1HB   LYS  54          2HB       LYS  54   8.342   7.874   6.908
  430   2HB   LYS  54          1HB       LYS  54   6.973   8.659   6.109
  431   1HG   LYS  54          1HG       LYS  54   5.615   8.402   8.148
  432   2HG   LYS  54          2HG       LYS  54   6.926   7.493   8.935
  433   1HD   LYS  54          1HD       LYS  54   8.400   9.485   8.761
  434   2HD   LYS  54          2HD       LYS  54   7.088  10.386   7.971
  435   1HE   LYS  54          1HE       LYS  54   5.674  10.104  10.001
  436   2HE   LYS  54          2HE       LYS  54   6.981   9.197  10.787
  437   1HZ   LYS  54          1HZ       LYS  54   8.344  11.150  10.630
  438   2HZ   LYS  54          2HZ       LYS  54   7.130  11.992   9.900
  439   3HZ   LYS  54          3HZ       LYS  54   6.955  11.475  11.454
  440    H    GLY  55           H        GLY  55   9.009   5.389   5.599
  441   1HA   GLY  55          2HA       GLY  55  10.593   4.308   7.065
  442   2HA   GLY  55          1HA       GLY  55   9.294   3.625   8.028
  443    H    ASP  56           H        ASP  56  11.419   2.239   6.677
  444    HA   ASP  56           HA       ASP  56  10.600   1.027   4.250
  445   1HB   ASP  56          2HB       ASP  56  12.485   0.159   6.476
  446   2HB   ASP  56          1HB       ASP  56  12.199  -0.813   5.033
  447    NH1  ARG  57           NH2      ARG  57  11.010  -7.571   3.981
  448    NH2  ARG  57           NH1      ARG  57  10.967  -7.359   1.674
  449    H    ARG  57           H        ARG  57   9.329  -0.741   3.797
  450    HA   ARG  57           HA       ARG  57   7.318  -1.707   3.956
  451   1HB   ARG  57          1HB       ARG  57   8.949  -3.107   6.125
  452   2HB   ARG  57          2HB       ARG  57   7.559  -3.706   5.199
  453   1HG   ARG  57          1HG       ARG  57   8.730  -3.513   3.095
  454   2HG   ARG  57          2HG       ARG  57  10.183  -2.930   3.935
  455   1HD   ARG  57          2HD       ARG  57  10.529  -5.012   5.029
  456   2HD   ARG  57          1HD       ARG  57   8.914  -5.611   4.575
  457    HE   ARG  57           HE       ARG  57  10.188  -5.039   2.168
  458   1HH1  ARG  57          1HH2      ARG  57  10.844  -7.173   4.892
  459   2HH1  ARG  57          2HH2      ARG  57  11.356  -8.515   3.907
  460   1HH2  ARG  57          1HH1      ARG  57  10.642  -6.872   0.842
  461   2HH2  ARG  57          2HH1      ARG  57  11.341  -8.290   1.569
  462    H    CYS  58           H        CYS  58   7.289   0.789   5.678
  463    HA   CYS  58           HA       CYS  58   5.797   0.195   8.020
  464   1HB   CYS  58          1HB       CYS  58   5.134   2.495   7.942
  465   2HB   CYS  58          2HB       CYS  58   6.829   2.375   7.475
  466    H    ASN  59           H        ASN  59   4.949   0.345   4.592
  467    HA   ASN  59           HA       ASN  59   2.075   0.419   5.044
  468   1HB   ASN  59          1HB       ASN  59   1.950   0.403   2.691
  469   2HB   ASN  59          2HB       ASN  59   3.123   1.621   3.166
  470   1HD2  ASN  59          2HD2      ASN  59   4.211  -0.388   0.109
  471   2HD2  ASN  59          1HD2      ASN  59   2.998   0.766   0.583
  472    H    LYS  60           H        LYS  60   2.717  -1.603   6.508
  473    HA   LYS  60           HA       LYS  60   2.796  -4.125   5.055
  474   1HB   LYS  60          2HB       LYS  60   2.807  -5.185   7.098
  475   2HB   LYS  60          1HB       LYS  60   3.723  -3.708   7.393
  476   1HG   LYS  60          2HG       LYS  60   0.830  -4.270   8.163
  477   2HG   LYS  60          1HG       LYS  60   2.224  -4.328   9.244
  478   1HD   LYS  60          2HD       LYS  60   2.611  -1.905   8.953
  479   2HD   LYS  60          1HD       LYS  60   1.229  -1.798   7.844
  480   1HE   LYS  60          2HE       LYS  60   0.986  -2.680  10.739
  481   2HE   LYS  60          1HE       LYS  60   0.669  -1.047  10.126
  482   1HZ   LYS  60          2HZ       LYS  60  -0.985  -1.993   8.661
  483   2HZ   LYS  60          3HZ       LYS  60  -0.750  -3.481   9.312
  484   3HZ   LYS  60          1HZ       LYS  60  -1.344  -2.264  10.250
   
  Start of MODEL           2
 Raw file had  484 H/Q atoms
  Start of MODEL    2
    1    NH1  ARG   1           NH1      ARG   1  10.519   6.822   4.307
    2    NH2  ARG   1           NH2      ARG   1  12.143   6.093   5.776
    3   1H    ARG   1          1H        ARG   1  11.965   3.741  -1.705
    4   2H    ARG   1          3H        ARG   1  11.010   4.674  -0.745
    5   3H    ARG   1          2H        ARG   1  12.503   5.192  -1.173
    6    HA   ARG   1           HA       ARG   1  13.608   3.535   0.055
    7   1HB   ARG   1          2HB       ARG   1  12.644   3.619   2.327
    8   2HB   ARG   1          1HB       ARG   1  12.752   5.205   1.590
    9   1HG   ARG   1          1HG       ARG   1  10.520   5.559   1.602
   10   2HG   ARG   1          2HG       ARG   1  10.111   3.912   1.108
   11   1HD   ARG   1          2HD       ARG   1   9.331   4.486   3.439
   12   2HD   ARG   1          1HD       ARG   1  10.303   3.046   3.267
   13    HE   ARG   1           HE       ARG   1  11.926   3.933   4.589
   14   1HH1  ARG   1          2HH1      ARG   1   9.920   6.688   3.498
   15   2HH1  ARG   1          1HH1      ARG   1  10.461   7.700   4.802
   16   1HH2  ARG   1          1HH2      ARG   1  12.771   5.375   6.106
   17   2HH2  ARG   1          2HH2      ARG   1  12.144   6.995   6.229
   18    H    ILE   2           H        ILE   2  12.825   1.664   1.915
   19    HA   ILE   2           HA       ILE   2  12.061  -0.575   0.230
   20    HB   ILE   2           HB       ILE   2  12.824  -0.141   3.142
   21   1HG1  ILE   2          1HG1      ILE   2  14.585  -0.015   1.288
   22   2HG1  ILE   2          2HG1      ILE   2  14.899  -1.093   2.652
   23   1HG2  ILE   2          2HG2      ILE   2  12.025  -2.767   1.800
   24   2HG2  ILE   2          3HG2      ILE   2  12.975  -2.674   3.304
   25   3HG2  ILE   2          1HG2      ILE   2  11.337  -2.043   3.260
   26   1HD1  ILE   2          2HD1      ILE   2  13.703  -2.068   0.033
   27   2HD1  ILE   2          1HD1      ILE   2  15.439  -2.080   0.428
   28   3HD1  ILE   2          3HD1      ILE   2  14.309  -3.048   1.386
   29    H    CYS   3           H        CYS   3   9.912  -1.170  -0.101
   30    HA   CYS   3           HA       CYS   3   8.097  -1.167   2.211
   31   1HB   CYS   3          1HB       CYS   3   7.469   0.497  -0.252
   32   2HB   CYS   3          2HB       CYS   3   6.322   0.110   1.027
   33    OH   TYR   4           OH       TYR   4   6.153  -7.392   5.532
   34    H    TYR   4           H        TYR   4   5.958  -2.073   1.573
   35    HA   TYR   4           HA       TYR   4   6.316  -4.418  -0.112
   36   1HB   TYR   4          2HB       TYR   4   4.077  -3.371   1.620
   37   2HB   TYR   4          1HB       TYR   4   3.889  -4.734   0.535
   38    HD1  TYR   4           HD2      TYR   4   6.713  -3.766   2.924
   39    HD2  TYR   4           HD1      TYR   4   3.754  -6.700   1.755
   40    HE1  TYR   4           HE2      TYR   4   7.413  -5.210   4.768
   41    HE2  TYR   4           HE1      TYR   4   4.464  -8.118   3.644
   42    HH   TYR   4           HH       TYR   4   5.303  -7.478   5.999
   43    H    SER   5           H        SER   5   5.227  -4.802  -2.077
   44    HA   SER   5           HA       SER   5   3.474  -2.710  -3.179
   45   1HB   SER   5          1HB       SER   5   6.092  -3.432  -4.558
   46   2HB   SER   5          2HB       SER   5   4.855  -2.313  -5.155
   47    HG   SER   5           HG       SER   5   5.453  -1.438  -2.767
   48    H    HIS   6           H        HIS   6   1.907  -3.615  -4.448
   49    HA   HIS   6           HA       HIS   6   2.424  -5.614  -6.367
   50   1HB   HIS   6          2HB       HIS   6   1.199  -7.518  -5.511
   51   2HB   HIS   6          1HB       HIS   6   2.497  -7.199  -4.433
   52    HD1  HIS   6           HD1      HIS   6   1.353  -5.105  -2.513
   53    HD2  HIS   6           HD2      HIS   6  -0.818  -8.366  -3.970
   54    HE1  HIS   6           HE1      HIS   6  -0.487  -5.607  -0.824
   55    H    LYS   7           H        LYS   7   0.156  -6.553  -7.062
   56    HA   LYS   7           HA       LYS   7  -2.069  -4.736  -6.632
   57   1HB   LYS   7          1HB       LYS   7  -2.364  -4.281  -9.048
   58   2HB   LYS   7          2HB       LYS   7  -0.974  -3.455  -8.357
   59   1HG   LYS   7          2HG       LYS   7   0.587  -4.725  -9.469
   60   2HG   LYS   7          1HG       LYS   7  -0.442  -6.145  -9.637
   61   1HD   LYS   7          2HD       LYS   7  -0.975  -3.555 -11.144
   62   2HD   LYS   7          1HD       LYS   7   0.030  -4.873 -11.771
   63   1HE   LYS   7          2HE       LYS   7  -1.879  -6.463 -11.548
   64   2HE   LYS   7          1HE       LYS   7  -2.921  -5.142 -11.001
   65   1HZ   LYS   7          2HZ       LYS   7  -1.578  -5.289 -13.600
   66   2HZ   LYS   7          1HZ       LYS   7  -3.178  -5.551 -13.310
   67   3HZ   LYS   7          3HZ       LYS   7  -2.536  -4.051 -13.085
   68    H    ALA   8           H        ALA   8  -4.036  -5.644  -7.427
   69    HA   ALA   8           HA       ALA   8  -5.512  -7.347  -7.737
   70   1HB   ALA   8          1HB       ALA   8  -4.581  -7.140 -10.031
   71   2HB   ALA   8          2HB       ALA   8  -3.409  -8.417  -9.674
   72   3HB   ALA   8          3HB       ALA   8  -5.148  -8.774  -9.682
   73    H    SER   9           H        SER   9  -5.218 -10.128  -8.183
   74    HA   SER   9           HA       SER   9  -4.718 -10.984  -5.465
   75   1HB   SER   9          2HB       SER   9  -5.516 -13.187  -6.735
   76   2HB   SER   9          1HB       SER   9  -6.634 -11.856  -6.414
   77    HG   SER   9           HG       SER   9  -6.639 -12.609  -8.636
   78    H    LEU  10           H        LEU  10  -2.322 -10.147  -6.136
   79    HA   LEU  10           HA       LEU  10  -0.684 -12.535  -6.927
   80   1HB   LEU  10          1HB       LEU  10  -0.242  -9.537  -7.042
   81   2HB   LEU  10          2HB       LEU  10   1.133 -10.614  -6.981
   82    HG   LEU  10           HG       LEU  10   0.505  -9.824  -9.252
   83   1HD1  LEU  10          1HD2      LEU  10   1.923 -11.806  -8.919
   84   2HD1  LEU  10          2HD2      LEU  10   0.484 -12.850  -8.897
   85   3HD1  LEU  10          3HD2      LEU  10   0.914 -11.957 -10.366
   86   1HD2  LEU  10          2HD1      LEU  10  -1.986 -10.048  -8.992
   87   2HD2  LEU  10          3HD1      LEU  10  -1.328 -10.758 -10.476
   88   3HD2  LEU  10          1HD1      LEU  10  -1.795 -11.810  -9.131
   89    HA   PRO  11           HA       PRO  11   0.604 -12.642  -2.658
   90   1HB   PRO  11          1HB       PRO  11   3.253 -13.379  -2.787
   91   2HB   PRO  11          2HB       PRO  11   1.907 -14.506  -3.129
   92   1HG   PRO  11          2HG       PRO  11   3.542 -12.921  -5.128
   93   2HG   PRO  11          1HG       PRO  11   3.152 -14.666  -5.176
   94   1HD   PRO  11          1HD       PRO  11   1.720 -12.852  -6.593
   95   2HD   PRO  11          2HD       PRO  11   0.889 -14.215  -5.791
   96    NH1  ARG  12           NH1      ARG  12   1.412  -7.622   4.673
   97    NH2  ARG  12           NH2      ARG  12   2.818  -9.250   5.473
   98    H    ARG  12           H        ARG  12   1.352 -11.018  -1.232
   99    HA   ARG  12           HA       ARG  12   2.077  -8.534  -2.437
  100   1HB   ARG  12          1HB       ARG  12   2.233  -7.652  -0.234
  101   2HB   ARG  12          2HB       ARG  12   0.759  -8.613  -0.435
  102   1HG   ARG  12          1HG       ARG  12   1.973 -10.528   0.783
  103   2HG   ARG  12          2HG       ARG  12   3.240  -9.346   1.162
  104   1HD   ARG  12          2HD       ARG  12   1.446  -7.863   2.122
  105   2HD   ARG  12          1HD       ARG  12   0.308  -9.218   1.984
  106    HE   ARG  12           HE       ARG  12   2.259 -10.434   3.333
  107   1HH1  ARG  12          1HH1      ARG  12   0.769  -7.264   3.986
  108   2HH1  ARG  12          2HH1      ARG  12   1.695  -7.005   5.442
  109   1HH2  ARG  12          2HH2      ARG  12   3.289 -10.137   5.396
  110   2HH2  ARG  12          1HH2      ARG  12   3.116  -8.569   6.179
  111    H    ALA  13           H        ALA  13   3.932  -8.057  -3.325
  112    HA   ALA  13           HA       ALA  13   6.433  -9.414  -2.466
  113   1HB   ALA  13          2HB       ALA  13   5.875  -9.328  -4.873
  114   2HB   ALA  13          3HB       ALA  13   5.876  -7.555  -4.819
  115   3HB   ALA  13          1HB       ALA  13   7.374  -8.453  -4.513
  116    H    THR  14           H        THR  14   8.426  -7.869  -2.477
  117    HA   THR  14           HA       THR  14   7.830  -5.260  -1.210
  118    HB   THR  14           HB       THR  14   9.463  -5.759   0.519
  119    HG1  THR  14           HG1      THR  14  10.476  -7.467  -0.961
  120   1HG2  THR  14          2HG2      THR  14   7.059  -6.440   0.908
  121   2HG2  THR  14          3HG2      THR  14   7.502  -8.100   0.478
  122   3HG2  THR  14          1HG2      THR  14   8.241  -7.327   1.891
  123    H    LYS  15           H        LYS  15   9.339  -3.632  -1.716
  124    HA   LYS  15           HA       LYS  15  11.819  -4.467  -3.050
  125   1HB   LYS  15          1HB       LYS  15  11.332  -3.298  -5.133
  126   2HB   LYS  15          2HB       LYS  15  10.180  -4.615  -4.892
  127   1HG   LYS  15          2HG       LYS  15   8.495  -2.984  -4.030
  128   2HG   LYS  15          1HG       LYS  15   9.623  -1.667  -4.299
  129   1HD   LYS  15          2HD       LYS  15   8.409  -3.500  -6.414
  130   2HD   LYS  15          1HD       LYS  15   7.987  -1.811  -6.110
  131   1HE   LYS  15          1HE       LYS  15  10.623  -2.872  -7.235
  132   2HE   LYS  15          2HE       LYS  15   9.394  -1.932  -8.080
  133   1HZ   LYS  15          2HZ       LYS  15   9.853  -0.101  -6.626
  134   2HZ   LYS  15          3HZ       LYS  15  11.006  -0.965  -5.824
  135   3HZ   LYS  15          1HZ       LYS  15  11.223  -0.576  -7.408
  136    H    THR  16           H        THR  16  13.164  -2.735  -3.663
  137    HA   THR  16           HA       THR  16  13.170  -0.494  -1.799
  138    HB   THR  16           HB       THR  16  15.157  -1.180  -4.007
  139    HG1  THR  16           HG1      THR  16  16.175  -2.434  -2.405
  140   1HG2  THR  16          1HG2      THR  16  15.426   1.024  -2.852
  141   2HG2  THR  16          2HG2      THR  16  15.455   0.186  -1.283
  142   3HG2  THR  16          3HG2      THR  16  16.751  -0.087  -2.465
  143    H    CYS  17           H        CYS  17  11.411   0.805  -2.537
  144    HA   CYS  17           HA       CYS  17  11.297   1.665  -5.378
  145   1HB   CYS  17          1HB       CYS  17   9.789   2.505  -2.868
  146   2HB   CYS  17          2HB       CYS  17   9.491   3.161  -4.484
  147    H    VAL  18           H        VAL  18  11.339   4.166  -5.724
  148    HA   VAL  18           HA       VAL  18  13.752   5.234  -4.403
  149    HB   VAL  18           HB       VAL  18  11.864   6.465  -6.466
  150   1HG1  VAL  18          1HG2      VAL  18  14.608   7.349  -5.466
  151   2HG1  VAL  18          2HG2      VAL  18  13.724   8.063  -6.829
  152   3HG1  VAL  18          3HG2      VAL  18  13.073   8.202  -5.192
  153   1HG2  VAL  18          3HG1      VAL  18  14.587   5.124  -6.764
  154   2HG2  VAL  18          1HG1      VAL  18  13.040   4.484  -7.357
  155   3HG2  VAL  18          2HG1      VAL  18  13.703   5.968  -8.050
  156    H    GLU  19           H        GLU  19  10.398   6.216  -4.853
  157    HA   GLU  19           HA       GLU  19   9.930   8.388  -3.488
  158   1HB   GLU  19          1HB       GLU  19   8.140   5.942  -3.159
  159   2HB   GLU  19          2HB       GLU  19   7.677   7.639  -3.052
  160   1HG   GLU  19          2HG       GLU  19   7.040   7.282  -5.206
  161   2HG   GLU  19          1HG       GLU  19   8.701   7.759  -5.506
  162    H    ASN  20           H        ASN  20   9.863   9.250  -1.564
  163    HA   ASN  20           HA       ASN  20  10.943   7.934   0.756
  164   1HB   ASN  20          1HB       ASN  20  10.557  10.026   1.855
  165   2HB   ASN  20          2HB       ASN  20  11.169  10.390   0.238
  166   1HD2  ASN  20          2HD2      ASN  20   8.105  12.506   1.203
  167   2HD2  ASN  20          1HD2      ASN  20   9.535  12.083   2.124
  168    H    THR  21           H        THR  21   7.709   8.325  -0.586
  169    HA   THR  21           HA       THR  21   6.444   7.603   2.003
  170    HB   THR  21           HB       THR  21   4.400   8.447   0.548
  171    HG1  THR  21           HG1      THR  21   6.550   9.956  -0.566
  172   1HG2  THR  21          3HG2      THR  21   6.476  10.305   1.783
  173   2HG2  THR  21          1HG2      THR  21   4.826  10.782   1.324
  174   3HG2  THR  21          2HG2      THR  21   5.073   9.562   2.583
  175    H    CYS  22           H        CYS  22   4.741   6.035   1.967
  176    HA   CYS  22           HA       CYS  22   4.375   4.415  -0.448
  177   1HB   CYS  22          1HB       CYS  22   5.247   3.223   2.216
  178   2HB   CYS  22          2HB       CYS  22   4.837   2.306   0.785
  179    OH   TYR  23           OH       TYR  23  -0.315   1.493  -4.992
  180    H    TYR  23           H        TYR  23   2.693   2.615   0.168
  181    HA   TYR  23           HA       TYR  23   0.777   3.584   2.194
  182   1HB   TYR  23          1HB       TYR  23  -1.038   3.771   0.610
  183   2HB   TYR  23          2HB       TYR  23   0.273   4.820   0.120
  184    HD1  TYR  23           HD1      TYR  23  -1.562   1.672  -0.630
  185    HD2  TYR  23           HD2      TYR  23   1.602   4.277  -1.953
  186    HE1  TYR  23           HE1      TYR  23  -1.688   0.672  -2.878
  187    HE2  TYR  23           HE2      TYR  23   1.365   3.362  -4.254
  188    HH   TYR  23           HH       TYR  23  -0.947   0.775  -5.067
  189    H    LYS  24           H        LYS  24  -1.044   2.339   2.358
  190    HA   LYS  24           HA       LYS  24  -0.984  -0.373   1.247
  191   1HB   LYS  24          1HB       LYS  24  -1.705  -1.433   3.321
  192   2HB   LYS  24          2HB       LYS  24  -0.093  -0.705   3.482
  193   1HG   LYS  24          2HG       LYS  24  -1.030   1.184   4.720
  194   2HG   LYS  24          1HG       LYS  24  -2.673   0.554   4.452
  195   1HD   LYS  24          2HD       LYS  24  -1.954   0.047   6.714
  196   2HD   LYS  24          1HD       LYS  24  -2.225  -1.431   5.782
  197   1HE   LYS  24          1HE       LYS  24   0.194  -1.723   5.460
  198   2HE   LYS  24          2HE       LYS  24   0.511  -0.155   6.244
  199   1HZ   LYS  24          2HZ       LYS  24  -0.688  -2.517   7.515
  200   2HZ   LYS  24          3HZ       LYS  24   0.861  -1.994   7.708
  201   3HZ   LYS  24          1HZ       LYS  24  -0.390  -1.073   8.255
  202    H    MET  25           H        MET  25  -2.797  -0.920   0.423
  203    HA   MET  25           HA       MET  25  -4.987   1.103   0.371
  204   1HB   MET  25          1HB       MET  25  -3.802   0.615  -1.721
  205   2HB   MET  25          2HB       MET  25  -4.349  -1.055  -1.531
  206   1HG   MET  25          2HG       MET  25  -6.728  -0.228  -1.506
  207   2HG   MET  25          1HG       MET  25  -6.124   1.390  -1.863
  208   1HE   MET  25          1HE       MET  25  -4.757   1.913  -4.092
  209   2HE   MET  25          2HE       MET  25  -3.762   0.431  -4.122
  210   3HE   MET  25          3HE       MET  25  -4.761   0.856  -5.525
  211    H    PHE  26           H        PHE  26  -6.789   0.589   1.451
  212    HA   PHE  26           HA       PHE  26  -7.510  -2.264   1.904
  213   1HB   PHE  26          1HB       PHE  26  -8.389  -1.617   4.089
  214   2HB   PHE  26          2HB       PHE  26  -6.674  -1.230   3.978
  215    HD1  PHE  26           HD2      PHE  26  -5.974   1.212   3.540
  216    HD2  PHE  26           HD1      PHE  26  -9.953   0.033   4.676
  217    HE1  PHE  26           HE2      PHE  26  -6.478   3.535   4.219
  218    HE2  PHE  26           HE1      PHE  26 -10.330   2.276   5.671
  219    HZ   PHE  26           HZ       PHE  26  -8.612   4.059   5.387
  220    H    ILE  27           H        ILE  27  -9.910  -2.502   2.212
  221    HA   ILE  27           HA       ILE  27 -11.166  -1.073  -0.017
  222    HB   ILE  27           HB       ILE  27 -12.297  -3.085   1.959
  223   1HG1  ILE  27          1HG1      ILE  27 -11.244  -3.405  -0.887
  224   2HG1  ILE  27          2HG1      ILE  27 -10.448  -3.976   0.584
  225   1HG2  ILE  27          2HG2      ILE  27 -14.084  -1.703   0.879
  226   2HG2  ILE  27          1HG2      ILE  27 -13.414  -2.096  -0.715
  227   3HG2  ILE  27          3HG2      ILE  27 -14.143  -3.351   0.305
  228   1HD1  ILE  27          2HD1      ILE  27 -12.470  -5.444   1.018
  229   2HD1  ILE  27          1HD1      ILE  27 -13.030  -5.028  -0.621
  230   3HD1  ILE  27          3HD1      ILE  27 -11.493  -5.866  -0.405
  231    NH1  ARG  28           NH1      ARG  28 -18.064   3.909   0.439
  232    NH2  ARG  28           NH2      ARG  28 -18.215   2.800  -1.588
  233    H    ARG  28           H        ARG  28 -12.870   0.387   0.080
  234    HA   ARG  28           HA       ARG  28 -12.768   2.255   2.221
  235   1HB   ARG  28          2HB       ARG  28 -13.313   2.782  -0.146
  236   2HB   ARG  28          1HB       ARG  28 -14.822   1.891  -0.006
  237   1HG   ARG  28          1HG       ARG  28 -15.625   3.500   1.710
  238   2HG   ARG  28          2HG       ARG  28 -14.089   4.372   1.620
  239   1HD   ARG  28          2HD       ARG  28 -15.829   5.493   0.248
  240   2HD   ARG  28          1HD       ARG  28 -14.476   4.927  -0.724
  241    HE   ARG  28           HE       ARG  28 -15.835   3.485  -1.854
  242   1HH1  ARG  28          1HH1      ARG  28 -17.513   4.435   1.101
  243   2HH1  ARG  28          2HH1      ARG  28 -19.025   3.691   0.656
  244   1HH2  ARG  28          2HH2      ARG  28 -17.797   2.513  -2.461
  245   2HH2  ARG  28          1HH2      ARG  28 -19.175   2.553  -1.399
  246    H    THR  29           H        THR  29 -15.439   0.219   1.143
  247    HA   THR  29           HA       THR  29 -17.193   0.720   3.340
  248    HB   THR  29           HB       THR  29 -18.250  -1.454   2.470
  249    HG1  THR  29           HG1      THR  29 -17.292  -2.325   0.620
  250   1HG2  THR  29          2HG2      THR  29 -18.894   0.779   1.572
  251   2HG2  THR  29          3HG2      THR  29 -17.585   0.675   0.376
  252   3HG2  THR  29          1HG2      THR  29 -18.938  -0.471   0.314
  253    H    HIS  30           H        HIS  30 -15.264  -2.149   2.548
  254    HA   HIS  30           HA       HIS  30 -15.467  -3.239   5.262
  255   1HB   HIS  30          2HB       HIS  30 -13.862  -4.295   2.922
  256   2HB   HIS  30          1HB       HIS  30 -14.477  -5.175   4.302
  257    HD1  HIS  30           HD1      HIS  30 -17.457  -4.225   4.266
  258    HD2  HIS  30           HD2      HIS  30 -15.301  -5.415   0.880
  259    HE1  HIS  30           HE1      HIS  30 -19.149  -4.823   2.469
  260    NH1  ARG  31           NH2      ARG  31 -16.872   0.428   7.836
  261    NH2  ARG  31           NH1      ARG  31 -16.714  -0.373   9.998
  262    H    ARG  31           H        ARG  31 -14.469  -1.135   5.966
  263    HA   ARG  31           HA       ARG  31 -11.961  -0.189   5.620
  264   1HB   ARG  31          2HB       ARG  31 -13.447  -0.625   8.230
  265   2HB   ARG  31          1HB       ARG  31 -12.051   0.444   8.045
  266   1HG   ARG  31          2HG       ARG  31 -13.218   1.852   6.443
  267   2HG   ARG  31          1HG       ARG  31 -14.608   0.783   6.422
  268   1HD   ARG  31          2HD       ARG  31 -13.631   2.481   8.740
  269   2HD   ARG  31          1HD       ARG  31 -15.136   2.680   7.841
  270    HE   ARG  31           HE       ARG  31 -14.646   1.000  10.105
  271   1HH1  ARG  31          2HH2      ARG  31 -16.484   0.959   7.071
  272   2HH1  ARG  31          1HH2      ARG  31 -17.699  -0.124   7.668
  273   1HH2  ARG  31          1HH1      ARG  31 -16.232  -0.410  10.884
  274   2HH2  ARG  31          2HH1      ARG  31 -17.566  -0.901   9.878
  275    H    GLU  32           H        GLU  32 -12.805  -2.946   7.668
  276    HA   GLU  32           HA       GLU  32  -9.986  -3.440   8.415
  277   1HB   GLU  32          2HB       GLU  32 -11.983  -3.628   9.999
  278   2HB   GLU  32          1HB       GLU  32 -12.437  -5.103   9.126
  279   1HG   GLU  32          2HG       GLU  32 -10.201  -6.082   9.715
  280   2HG   GLU  32          1HG       GLU  32  -9.786  -4.583  10.563
  281    OH   TYR  33           OH       TYR  33 -10.226 -10.582   1.003
  282    H    TYR  33           H        TYR  33  -9.958  -3.554   5.777
  283    HA   TYR  33           HA       TYR  33  -9.381  -6.379   5.264
  284   1HB   TYR  33          1HB       TYR  33 -11.884  -5.994   4.717
  285   2HB   TYR  33          2HB       TYR  33 -11.313  -5.012   3.369
  286    HD1  TYR  33           HD1      TYR  33  -9.797  -6.096   1.606
  287    HD2  TYR  33           HD2      TYR  33 -11.865  -8.379   4.624
  288    HE1  TYR  33           HE1      TYR  33  -9.411  -8.153   0.308
  289    HE2  TYR  33           HE2      TYR  33 -11.503 -10.444   3.297
  290    HH   TYR  33           HH       TYR  33  -9.716 -10.435   0.204
  291    H    ILE  34           H        ILE  34  -7.363  -6.192   4.538
  292    HA   ILE  34           HA       ILE  34  -6.403  -3.833   3.082
  293    HB   ILE  34           HB       ILE  34  -5.018  -6.463   3.757
  294   1HG1  ILE  34          2HG1      ILE  34  -5.652  -5.444   5.852
  295   2HG1  ILE  34          1HG1      ILE  34  -3.926  -5.233   5.595
  296   1HG2  ILE  34          1HG2      ILE  34  -3.927  -3.759   2.827
  297   2HG2  ILE  34          2HG2      ILE  34  -2.953  -5.111   3.453
  298   3HG2  ILE  34          3HG2      ILE  34  -3.858  -5.301   1.957
  299   1HD1  ILE  34          3HD1      ILE  34  -4.362  -2.856   4.860
  300   2HD1  ILE  34          1HD1      ILE  34  -6.081  -3.107   5.258
  301   3HD1  ILE  34          2HD1      ILE  34  -4.853  -3.204   6.523
  302    H    SER  35           H        SER  35  -5.730  -3.898   0.883
  303    HA   SER  35           HA       SER  35  -6.704  -6.240  -0.730
  304   1HB   SER  35          2HB       SER  35  -7.443  -4.631  -2.422
  305   2HB   SER  35          1HB       SER  35  -8.268  -4.397  -0.865
  306    HG   SER  35           HG       SER  35  -6.753  -2.698  -0.442
  307    H    GLU  36           H        GLU  36  -4.838  -3.245  -0.995
  308    HA   GLU  36           HA       GLU  36  -2.610  -4.775  -2.356
  309   1HB   GLU  36          2HB       GLU  36  -4.035  -2.260  -3.319
  310   2HB   GLU  36          1HB       GLU  36  -2.420  -2.707  -3.889
  311   1HG   GLU  36          2HG       GLU  36  -3.217  -4.849  -4.643
  312   2HG   GLU  36          1HG       GLU  36  -4.874  -4.488  -4.111
  313    NH1  ARG  37           NH1      ARG  37   1.589  -4.904   3.661
  314    NH2  ARG  37           NH2      ARG  37  -0.044  -4.581   5.221
  315    H    ARG  37           H        ARG  37  -0.669  -3.257  -2.706
  316    HA   ARG  37           HA       ARG  37  -0.272  -1.239  -0.634
  317   1HB   ARG  37          1HB       ARG  37   1.428  -3.807  -0.671
  318   2HB   ARG  37          2HB       ARG  37   2.047  -2.254  -0.191
  319   1HG   ARG  37          2HG       ARG  37   1.597  -3.057   1.767
  320   2HG   ARG  37          1HG       ARG  37   0.224  -2.039   1.481
  321   1HD   ARG  37          1HD       ARG  37  -1.125  -4.146   1.001
  322   2HD   ARG  37          2HD       ARG  37   0.328  -5.102   1.294
  323    HE   ARG  37           HE       ARG  37  -1.428  -3.845   3.235
  324   1HH1  ARG  37          2HH1      ARG  37   1.968  -4.855   2.731
  325   2HH1  ARG  37          1HH1      ARG  37   2.212  -5.118   4.447
  326   1HH2  ARG  37          1HH2      ARG  37  -0.985  -4.364   5.508
  327   2HH2  ARG  37          2HH2      ARG  37   0.657  -4.908   5.895
  328    H    GLY  38           H        GLY  38   1.628   0.052  -1.060
  329   1HA   GLY  38          1HA       GLY  38   3.284  -0.489  -3.333
  330   2HA   GLY  38          2HA       GLY  38   1.985   0.568  -3.857
  331    H    CYS  39           H        CYS  39   3.970   1.866  -4.333
  332    HA   CYS  39           HA       CYS  39   5.135   3.299  -2.026
  333   1HB   CYS  39          1HB       CYS  39   6.157   2.622  -4.785
  334   2HB   CYS  39          2HB       CYS  39   6.958   3.704  -3.646
  335    H    GLY  40           H        GLY  40   5.594   5.567  -2.379
  336   1HA   GLY  40          1HA       GLY  40   5.112   7.703  -2.914
  337   2HA   GLY  40          2HA       GLY  40   4.877   7.165  -4.550
  338    H    CYS  41           H        CYS  41   3.443   7.202  -1.710
  339    HA   CYS  41           HA       CYS  41   0.869   6.698  -1.414
  340   1HB   CYS  41          1HB       CYS  41   2.001   8.064   0.211
  341   2HB   CYS  41          2HB       CYS  41   1.994   9.458  -0.880
  342    HA   PRO  42           HA       PRO  42  -1.215   8.962  -4.817
  343   1HB   PRO  42          2HB       PRO  42  -2.224   6.945  -6.273
  344   2HB   PRO  42          1HB       PRO  42  -0.474   7.275  -6.256
  345   1HG   PRO  42          1HG       PRO  42  -2.024   5.180  -4.687
  346   2HG   PRO  42          2HG       PRO  42  -0.481   4.969  -5.561
  347   1HD   PRO  42          2HD       PRO  42  -0.790   5.536  -2.797
  348   2HD   PRO  42          1HD       PRO  42   0.715   5.765  -3.751
  349    H    THR  43           H        THR  43  -3.498   9.020  -5.500
  350    HA   THR  43           HA       THR  43  -5.329   8.694  -3.305
  351    HB   THR  43           HB       THR  43  -6.596   9.140  -5.891
  352    HG1  THR  43           HG1      THR  43  -5.410  11.035  -6.434
  353   1HG2  THR  43          3HG2      THR  43  -7.418   9.962  -3.705
  354   2HG2  THR  43          1HG2      THR  43  -5.996  11.022  -3.565
  355   3HG2  THR  43          2HG2      THR  43  -7.194  11.298  -4.849
  356    H    ALA  44           H        ALA  44  -6.853   7.075  -3.046
  357    HA   ALA  44           HA       ALA  44  -6.410   4.587  -4.522
  358   1HB   ALA  44          3HB       ALA  44  -8.406   5.336  -2.348
  359   2HB   ALA  44          1HB       ALA  44  -8.123   3.702  -2.987
  360   3HB   ALA  44          2HB       ALA  44  -6.832   4.536  -2.123
  361    H    MET  45           H        MET  45  -7.877   3.569  -5.911
  362    HA   MET  45           HA       MET  45  -9.830   5.261  -7.289
  363   1HB   MET  45          1HB       MET  45  -8.984   2.332  -7.539
  364   2HB   MET  45          2HB       MET  45 -10.162   3.125  -8.587
  365   1HG   MET  45          1HG       MET  45  -7.249   3.949  -8.278
  366   2HG   MET  45          2HG       MET  45  -7.914   3.028  -9.621
  367   1HE   MET  45          2HE       MET  45  -9.322   3.955 -11.533
  368   2HE   MET  45          1HE       MET  45 -10.609   4.507 -10.429
  369   3HE   MET  45          3HE       MET  45  -9.932   5.622 -11.634
  370    CH2  TRP  46           CH2      TRP  46 -19.786   3.498  -5.736
  371    H    TRP  46           H        TRP  46 -12.150   4.514  -7.424
  372    HA   TRP  46           HA       TRP  46 -13.083   3.897  -4.761
  373   1HB   TRP  46          1HB       TRP  46 -14.217   5.351  -6.670
  374   2HB   TRP  46          2HB       TRP  46 -14.751   3.816  -7.282
  375    HD1  TRP  46           HD1      TRP  46 -14.807   5.396  -3.706
  376    HE1  TRP  46           HE1      TRP  46 -17.218   5.209  -2.786
  377    HE3  TRP  46           HE3      TRP  46 -17.014   3.350  -7.758
  378    HZ2  TRP  46           HZ2      TRP  46 -19.782   4.306  -3.730
  379    HZ3  TRP  46           HZ3      TRP  46 -19.474   2.799  -7.756
  380    HH2  TRP  46           HH2      TRP  46 -20.845   3.282  -5.739
  381    HA   PRO  47           HA       PRO  47 -14.384   2.735  -3.504
  382   1HB   PRO  47          1HB       PRO  47 -15.654   0.760  -2.296
  383   2HB   PRO  47          2HB       PRO  47 -16.243   1.325  -3.884
  384   1HG   PRO  47          2HG       PRO  47 -14.470  -1.082  -3.341
  385   2HG   PRO  47          1HG       PRO  47 -15.960  -1.017  -4.321
  386   1HD   PRO  47          1HD       PRO  47 -13.356  -0.725  -5.339
  387   2HD   PRO  47          2HD       PRO  47 -14.823  -0.088  -6.127
  388    OH   TYR  48           OH       TYR  48 -10.644  -3.873  -5.245
  389    H    TYR  48           H        TYR  48 -11.650   2.524  -3.583
  390    HA   TYR  48           HA       TYR  48 -10.907   0.906  -1.177
  391   1HB   TYR  48          1HB       TYR  48  -9.225   1.830  -3.539
  392   2HB   TYR  48          2HB       TYR  48  -8.634   1.033  -2.093
  393    HD1  TYR  48           HD2      TYR  48  -9.222  -1.394  -1.699
  394    HD2  TYR  48           HD1      TYR  48 -10.390   0.657  -5.308
  395    HE1  TYR  48           HE2      TYR  48  -9.736  -3.565  -2.778
  396    HE2  TYR  48           HE1      TYR  48 -10.890  -1.514  -6.381
  397    HH   TYR  48           HH       TYR  48 -10.487  -4.628  -4.676
  398    H    GLN  49           H        GLN  49  -9.162   1.851   0.101
  399    HA   GLN  49           HA       GLN  49  -8.901   4.796   0.038
  400   1HB   GLN  49          2HB       GLN  49  -9.698   2.964   2.221
  401   2HB   GLN  49          1HB       GLN  49  -8.892   4.494   2.556
  402   1HG   GLN  49          2HG       GLN  49 -10.674   5.690   1.250
  403   2HG   GLN  49          1HG       GLN  49 -11.524   4.153   1.045
  404   1HE2  GLN  49          1HE2      GLN  49 -12.173   4.062   4.739
  405   2HE2  GLN  49          2HE2      GLN  49 -11.249   3.033   3.654
  406    H    THR  50           H        THR  50  -6.751   5.286  -0.033
  407    HA   THR  50           HA       THR  50  -4.723   3.296   0.770
  408    HB   THR  50           HB       THR  50  -3.286   5.367  -0.118
  409    HG1  THR  50           HG1      THR  50  -4.360   6.454  -1.746
  410   1HG2  THR  50          3HG2      THR  50  -3.348   3.077  -1.034
  411   2HG2  THR  50          1HG2      THR  50  -4.785   3.483  -1.981
  412   3HG2  THR  50          2HG2      THR  50  -3.238   4.307  -2.304
  413    H    GLU  51           H        GLU  51  -3.813   3.373   2.729
  414    HA   GLU  51           HA       GLU  51  -3.811   5.986   4.207
  415   1HB   GLU  51          1HB       GLU  51  -3.373   4.756   6.264
  416   2HB   GLU  51          2HB       GLU  51  -4.981   4.498   5.594
  417   1HG   GLU  51          2HG       GLU  51  -4.059   2.408   4.522
  418   2HG   GLU  51          1HG       GLU  51  -2.608   2.621   5.530
  419    H    CYS  52           H        CYS  52  -1.861   6.912   4.223
  420    HA   CYS  52           HA       CYS  52   0.370   5.487   2.934
  421   1HB   CYS  52          1HB       CYS  52  -0.331   8.397   3.249
  422   2HB   CYS  52          2HB       CYS  52   1.124   7.783   2.468
  423    H    CYS  53           H        CYS  53   2.553   6.204   3.516
  424    HA   CYS  53           HA       CYS  53   3.053   7.153   6.249
  425   1HB   CYS  53          2HB       CYS  53   4.101   5.167   7.010
  426   2HB   CYS  53          1HB       CYS  53   2.658   4.536   6.205
  427    H    LYS  54           H        LYS  54   5.565   7.080   6.573
  428    HA   LYS  54           HA       LYS  54   7.178   7.102   4.130
  429   1HB   LYS  54          2HB       LYS  54   8.197   9.186   5.144
  430   2HB   LYS  54          1HB       LYS  54   6.656   9.404   4.317
  431   1HG   LYS  54          2HG       LYS  54   5.480   9.519   6.475
  432   2HG   LYS  54          1HG       LYS  54   6.996   9.158   7.337
  433   1HD   LYS  54          2HD       LYS  54   7.988  11.259   6.480
  434   2HD   LYS  54          1HD       LYS  54   6.523  11.580   5.538
  435   1HE   LYS  54          1HE       LYS  54   6.507  12.922   7.576
  436   2HE   LYS  54          2HE       LYS  54   5.190  11.740   7.625
  437   1HZ   LYS  54          3HZ       LYS  54   7.793  11.462   8.967
  438   2HZ   LYS  54          1HZ       LYS  54   6.376  11.885   9.694
  439   3HZ   LYS  54          2HZ       LYS  54   6.550  10.382   9.044
  440    H    GLY  55           H        GLY  55   7.285   4.890   5.514
  441   1HA   GLY  55          2HA       GLY  55   9.773   5.140   7.105
  442   2HA   GLY  55          1HA       GLY  55   8.403   4.346   7.866
  443    H    ASP  56           H        ASP  56  11.003   3.345   7.159
  444    HA   ASP  56           HA       ASP  56  10.960   1.667   4.845
  445   1HB   ASP  56          1HB       ASP  56  13.060   1.687   5.589
  446   2HB   ASP  56          2HB       ASP  56  12.637   1.808   7.322
  447    NH1  ARG  57           NH1      ARG  57  12.321  -2.366   9.712
  448    NH2  ARG  57           NH2      ARG  57  11.817  -4.071  11.188
  449    H    ARG  57           H        ARG  57  10.238  -0.285   4.505
  450    HA   ARG  57           HA       ARG  57   8.349  -1.690   4.517
  451   1HB   ARG  57          1HB       ARG  57   8.891  -3.628   5.744
  452   2HB   ARG  57          2HB       ARG  57  10.407  -2.867   5.270
  453   1HG   ARG  57          2HG       ARG  57  10.409  -1.880   7.710
  454   2HG   ARG  57          1HG       ARG  57   9.167  -3.104   8.006
  455   1HD   ARG  57          1HD       ARG  57  10.828  -4.785   6.989
  456   2HD   ARG  57          2HD       ARG  57  12.053  -3.522   7.171
  457    HE   ARG  57           HE       ARG  57  10.865  -5.207   9.199
  458   1HH1  ARG  57          1HH1      ARG  57  12.335  -1.966   8.776
  459   2HH1  ARG  57          2HH1      ARG  57  12.735  -1.827  10.456
  460   1HH2  ARG  57          2HH2      ARG  57  11.430  -4.985  11.370
  461   2HH2  ARG  57          1HH2      ARG  57  12.234  -3.550  11.944
  462    H    CYS  58           H        CYS  58   7.500   0.838   5.825
  463    HA   CYS  58           HA       CYS  58   6.246   0.354   8.259
  464   1HB   CYS  58          1HB       CYS  58   5.013   2.268   7.904
  465   2HB   CYS  58          2HB       CYS  58   6.381   2.538   6.826
  466    H    ASN  59           H        ASN  59   5.134  -0.472   4.986
  467    HA   ASN  59           HA       ASN  59   2.510  -1.414   5.925
  468   1HB   ASN  59          2HB       ASN  59   2.202  -1.860   3.468
  469   2HB   ASN  59          1HB       ASN  59   2.407  -0.174   3.930
  470   1HD2  ASN  59          1HD2      ASN  59   4.413  -0.079   1.008
  471   2HD2  ASN  59          2HD2      ASN  59   2.766   0.016   1.488
  472    H    LYS  60           H        LYS  60   3.828  -2.747   7.363
  473    HA   LYS  60           HA       LYS  60   5.338  -4.991   6.567
  474   1HB   LYS  60          1HB       LYS  60   3.609  -4.616   9.050
  475   2HB   LYS  60          2HB       LYS  60   4.872  -5.845   8.843
  476   1HG   LYS  60          1HG       LYS  60   6.544  -4.041   8.460
  477   2HG   LYS  60          2HG       LYS  60   5.295  -2.829   8.803
  478   1HD   LYS  60          2HD       LYS  60   4.982  -4.028  11.068
  479   2HD   LYS  60          1HD       LYS  60   6.519  -4.836  10.711
  480   1HE   LYS  60          2HE       LYS  60   5.981  -1.835  10.967
  481   2HE   LYS  60          1HE       LYS  60   6.967  -2.835  12.047
  482   1HZ   LYS  60          3HZ       LYS  60   8.491  -3.157  10.211
  483   2HZ   LYS  60          2HZ       LYS  60   7.563  -2.207   9.232
  484   3HZ   LYS  60          1HZ       LYS  60   8.305  -1.555  10.550
   
  Start of MODEL           3
 Raw file had  484 H/Q atoms
  Start of MODEL    3
    1    NH1  ARG   1           NH2      ARG   1  11.605   5.451   4.188
    2    NH2  ARG   1           NH1      ARG   1  13.244   6.691   3.162
    3   1H    ARG   1          2H        ARG   1  10.503   4.303  -1.771
    4   2H    ARG   1          1H        ARG   1  11.348   5.510  -1.063
    5   3H    ARG   1          3H        ARG   1  12.075   4.448  -2.136
    6    HA   ARG   1           HA       ARG   1  12.681   3.616  -0.018
    7   1HB   ARG   1          1HB       ARG   1  10.907   4.967   1.157
    8   2HB   ARG   1          2HB       ARG   1   9.691   3.829   0.593
    9   1HG   ARG   1          2HG       ARG   1  10.266   3.470   2.906
   10   2HG   ARG   1          1HG       ARG   1  10.648   2.057   1.955
   11   1HD   ARG   1          1HD       ARG   1  12.398   2.773   3.728
   12   2HD   ARG   1          2HD       ARG   1  13.019   2.427   2.133
   13    HE   ARG   1           HE       ARG   1  13.816   4.542   2.022
   14   1HH1  ARG   1          2HH2      ARG   1  11.135   4.578   4.350
   15   2HH1  ARG   1          1HH2      ARG   1  11.293   6.298   4.654
   16   1HH2  ARG   1          1HH1      ARG   1  14.039   6.783   2.547
   17   2HH2  ARG   1          2HH1      ARG   1  12.913   7.493   3.692
   18    H    ILE   2           H        ILE   2  12.424   1.239   0.569
   19    HA   ILE   2           HA       ILE   2  11.367  -0.310  -1.687
   20    HB   ILE   2           HB       ILE   2  13.512  -0.643   0.164
   21   1HG1  ILE   2          2HG1      ILE   2  13.385  -1.225  -2.268
   22   2HG1  ILE   2          1HG1      ILE   2  14.153  -2.434  -1.242
   23   1HG2  ILE   2          3HG2      ILE   2  11.426  -2.846   0.547
   24   2HG2  ILE   2          2HG2      ILE   2  13.138  -2.957   0.981
   25   3HG2  ILE   2          1HG2      ILE   2  12.108  -1.772   1.786
   26   1HD1  ILE   2          3HD1      ILE   2  11.229  -2.646  -2.077
   27   2HD1  ILE   2          2HD1      ILE   2  12.574  -3.374  -2.974
   28   3HD1  ILE   2          1HD1      ILE   2  12.238  -3.890  -1.319
   29    H    CYS   3           H        CYS   3   9.331  -1.208  -1.645
   30    HA   CYS   3           HA       CYS   3   7.908  -1.477   0.946
   31   1HB   CYS   3          1HB       CYS   3   7.384   0.585  -1.183
   32   2HB   CYS   3          2HB       CYS   3   6.006  -0.139  -0.369
   33    OH   TYR   4           OH       TYR   4   7.476  -7.422   4.038
   34    H    TYR   4           H        TYR   4   5.612  -2.266   0.441
   35    HA   TYR   4           HA       TYR   4   5.957  -4.666  -1.185
   36   1HB   TYR   4          1HB       TYR   4   3.872  -3.645   0.787
   37   2HB   TYR   4          2HB       TYR   4   3.599  -5.084  -0.139
   38    HD1  TYR   4           HD1      TYR   4   5.736  -6.807  -0.113
   39    HD2  TYR   4           HD2      TYR   4   4.746  -3.959   2.966
   40    HE1  TYR   4           HE1      TYR   4   7.206  -8.005   1.487
   41    HE2  TYR   4           HE2      TYR   4   5.968  -5.321   4.614
   42    HH   TYR   4           HH       TYR   4   7.414  -7.072   4.929
   43    H    SER   5           H        SER   5   4.391  -5.454  -2.625
   44    HA   SER   5           HA       SER   5   2.410  -3.588  -3.828
   45   1HB   SER   5          1HB       SER   5   4.569  -4.978  -5.458
   46   2HB   SER   5          2HB       SER   5   3.292  -3.893  -6.043
   47    HG   SER   5           HG       SER   5   4.409  -2.510  -4.194
   48    H    HIS   6           H        HIS   6   2.104  -5.890  -2.143
   49    HA   HIS   6           HA       HIS   6   1.103  -8.003  -3.996
   50   1HB   HIS   6          1HB       HIS   6   1.036  -9.376  -1.894
   51   2HB   HIS   6          2HB       HIS   6   2.630  -8.896  -2.466
   52    HD1  HIS   6           HD1      HIS   6   0.496  -6.557  -0.277
   53    HD2  HIS   6           HD2      HIS   6   3.796  -9.099  -0.035
   54    HE1  HIS   6           HE1      HIS   6   1.525  -6.267   2.041
   55    H    LYS   7           H        LYS   7  -0.964  -8.785  -3.822
   56    HA   LYS   7           HA       LYS   7  -2.958  -6.856  -3.157
   57   1HB   LYS   7          1HB       LYS   7  -4.439  -8.292  -4.282
   58   2HB   LYS   7          2HB       LYS   7  -2.924  -8.365  -5.165
   59   1HG   LYS   7          1HG       LYS   7  -4.039 -10.510  -3.272
   60   2HG   LYS   7          2HG       LYS   7  -4.088 -10.492  -5.020
   61   1HD   LYS   7          1HD       LYS   7  -2.370 -11.908  -4.767
   62   2HD   LYS   7          2HD       LYS   7  -1.449 -10.417  -4.885
   63   1HE   LYS   7          2HE       LYS   7  -1.361 -10.433  -2.298
   64   2HE   LYS   7          1HE       LYS   7  -2.267 -11.944  -2.342
   65   1HZ   LYS   7          3HZ       LYS   7  -0.459 -12.921  -3.542
   66   2HZ   LYS   7          1HZ       LYS   7   0.381 -11.503  -3.525
   67   3HZ   LYS   7          2HZ       LYS   7   0.066 -12.291  -2.114
   68    H    ALA   8           H        ALA   8  -1.470  -8.436  -0.838
   69    HA   ALA   8           HA       ALA   8  -3.605  -8.409   1.024
   70   1HB   ALA   8          2HB       ALA   8  -2.543 -11.159   0.197
   71   2HB   ALA   8          3HB       ALA   8  -3.563 -10.830   1.611
   72   3HB   ALA   8          1HB       ALA   8  -4.215 -10.596  -0.018
   73    H    SER   9           H        SER   9  -2.585  -9.049   3.242
   74    HA   SER   9           HA       SER   9   0.135  -8.006   3.309
   75   1HB   SER   9          2HB       SER   9  -0.260  -8.294   5.772
   76   2HB   SER   9          1HB       SER   9  -1.498  -7.318   4.974
   77    HG   SER   9           HG       SER   9  -1.666 -10.090   5.548
   78    H    LEU  10           H        LEU  10   0.938  -9.822   1.919
   79    HA   LEU  10           HA       LEU  10   1.985 -12.034   3.605
   80   1HB   LEU  10          2HB       LEU  10  -0.013 -12.951   2.572
   81   2HB   LEU  10          1HB       LEU  10   0.491 -12.368   0.983
   82    HG   LEU  10           HG       LEU  10   2.439 -13.913   1.020
   83   1HD1  LEU  10          3HD2      LEU  10   1.280 -14.825   3.691
   84   2HD1  LEU  10          1HD2      LEU  10   2.506 -15.711   2.761
   85   3HD1  LEU  10          2HD2      LEU  10   2.889 -14.117   3.417
   86   1HD2  LEU  10          1HD1      LEU  10   0.294 -14.616   0.035
   87   2HD2  LEU  10          3HD1      LEU  10   1.167 -15.984   0.747
   88   3HD2  LEU  10          2HD1      LEU  10  -0.218 -15.273   1.606
   89    HA   PRO  11           HA       PRO  11   5.296  -9.639   1.515
   90   1HB   PRO  11          2HB       PRO  11   6.768 -11.839   2.974
   91   2HB   PRO  11          1HB       PRO  11   7.268 -10.151   2.623
   92   1HG   PRO  11          2HG       PRO  11   6.130 -10.746   5.040
   93   2HG   PRO  11          1HG       PRO  11   5.566  -9.302   4.147
   94   1HD   PRO  11          2HD       PRO  11   4.264 -12.018   4.294
   95   2HD   PRO  11          1HD       PRO  11   3.513 -10.394   4.367
   96    NH1  ARG  12           NH1      ARG  12   4.984 -15.356   0.892
   97    NH2  ARG  12           NH2      ARG  12   4.131 -17.403   0.231
   98    H    ARG  12           H        ARG  12   5.592  -9.880  -0.536
   99    HA   ARG  12           HA       ARG  12   6.758 -12.153  -1.871
  100   1HB   ARG  12          1HB       ARG  12   3.806 -11.507  -2.352
  101   2HB   ARG  12          2HB       ARG  12   4.813 -12.402  -3.504
  102   1HG   ARG  12          1HG       ARG  12   3.999 -13.299  -0.722
  103   2HG   ARG  12          2HG       ARG  12   3.354 -13.845  -2.256
  104   1HD   ARG  12          2HD       ARG  12   5.598 -14.719  -2.908
  105   2HD   ARG  12          1HD       ARG  12   6.215 -14.322  -1.304
  106    HE   ARG  12           HE       ARG  12   4.524 -16.544  -2.077
  107   1HH1  ARG  12          2HH1      ARG  12   5.359 -14.442   0.654
  108   2HH1  ARG  12          1HH1      ARG  12   4.883 -15.601   1.864
  109   1HH2  ARG  12          1HH2      ARG  12   3.871 -18.044  -0.504
  110   2HH2  ARG  12          2HH2      ARG  12   4.010 -17.677   1.194
  111    H    ALA  13           H        ALA  13   4.445 -10.090  -3.537
  112    HA   ALA  13           HA       ALA  13   6.461  -8.964  -5.216
  113   1HB   ALA  13          3HB       ALA  13   3.538  -8.233  -4.777
  114   2HB   ALA  13          1HB       ALA  13   4.555  -7.621  -6.099
  115   3HB   ALA  13          2HB       ALA  13   4.178  -9.352  -5.997
  116    H    THR  14           H        THR  14   7.569  -7.066  -5.071
  117    HA   THR  14           HA       THR  14   6.873  -5.028  -3.074
  118    HB   THR  14           HB       THR  14   9.411  -5.002  -2.556
  119    HG1  THR  14           HG1      THR  14   9.173  -7.706  -3.406
  120   1HG2  THR  14          3HG2      THR  14   7.752  -7.349  -1.541
  121   2HG2  THR  14          2HG2      THR  14   9.298  -6.811  -0.858
  122   3HG2  THR  14          1HG2      THR  14   7.908  -5.726  -0.819
  123    H    LYS  15           H        LYS  15   8.273  -3.084  -3.427
  124    HA   LYS  15           HA       LYS  15   9.291  -2.761  -6.186
  125   1HB   LYS  15          2HB       LYS  15   7.958  -0.777  -6.595
  126   2HB   LYS  15          1HB       LYS  15   6.896  -2.163  -6.329
  127   1HG   LYS  15          1HG       LYS  15   6.503  -1.390  -3.983
  128   2HG   LYS  15          2HG       LYS  15   7.553   0.008  -4.265
  129   1HD   LYS  15          1HD       LYS  15   6.110   0.753  -6.128
  130   2HD   LYS  15          2HD       LYS  15   4.994  -0.582  -5.817
  131   1HE   LYS  15          2HE       LYS  15   5.738   1.577  -3.774
  132   2HE   LYS  15          1HE       LYS  15   4.312   1.625  -4.831
  133   1HZ   LYS  15          3HZ       LYS  15   4.832  -0.508  -2.879
  134   2HZ   LYS  15          1HZ       LYS  15   3.846   0.787  -2.626
  135   3HZ   LYS  15          2HZ       LYS  15   3.490  -0.313  -3.801
  136    H    THR  16           H        THR  16  10.759  -1.059  -6.387
  137    HA   THR  16           HA       THR  16  11.786   0.128  -3.837
  138    HB   THR  16           HB       THR  16  13.187  -0.299  -6.507
  139    HG1  THR  16           HG1      THR  16  12.700  -2.221  -5.295
  140   1HG2  THR  16          1HG2      THR  16  14.226   0.569  -3.763
  141   2HG2  THR  16          3HG2      THR  16  15.225   0.205  -5.183
  142   3HG2  THR  16          2HG2      THR  16  14.130   1.597  -5.211
  143    H    CYS  17           H        CYS  17  10.267   1.876  -3.774
  144    HA   CYS  17           HA       CYS  17   9.995   3.562  -6.223
  145   1HB   CYS  17          1HB       CYS  17   8.075   2.956  -4.515
  146   2HB   CYS  17          2HB       CYS  17   8.830   4.311  -3.646
  147    H    VAL  18           H        VAL  18  10.062   6.032  -5.578
  148    HA   VAL  18           HA       VAL  18  12.728   6.605  -4.474
  149    HB   VAL  18           HB       VAL  18  10.588   8.385  -5.733
  150   1HG1  VAL  18          3HG2      VAL  18  13.479   8.985  -4.960
  151   2HG1  VAL  18          2HG2      VAL  18  12.421  10.051  -5.907
  152   3HG1  VAL  18          1HG2      VAL  18  12.029   9.699  -4.221
  153   1HG2  VAL  18          1HG1      VAL  18  13.188   7.246  -6.850
  154   2HG2  VAL  18          2HG1      VAL  18  11.548   6.781  -7.347
  155   3HG2  VAL  18          3HG1      VAL  18  12.134   8.417  -7.668
  156    H    GLU  19           H        GLU  19   9.365   7.778  -3.951
  157    HA   GLU  19           HA       GLU  19   9.632   9.414  -1.853
  158   1HB   GLU  19          1HB       GLU  19   7.395   7.377  -2.079
  159   2HB   GLU  19          2HB       GLU  19   7.341   8.907  -1.210
  160   1HG   GLU  19          2HG       GLU  19   7.402   8.437  -4.155
  161   2HG   GLU  19          1HG       GLU  19   6.305   9.414  -3.214
  162    H    ASN  20           H        ASN  20   9.558   9.475   0.273
  163    HA   ASN  20           HA       ASN  20  10.753   7.323   1.807
  164   1HB   ASN  20          1HB       ASN  20  11.237   9.648   2.356
  165   2HB   ASN  20          2HB       ASN  20   9.517  10.008   2.561
  166   1HD2  ASN  20          1HD2      ASN  20   9.474   8.972   5.938
  167   2HD2  ASN  20          2HD2      ASN  20   8.627   9.765   4.619
  168    H    THR  21           H        THR  21   7.445   8.251   0.920
  169    HA   THR  21           HA       THR  21   6.333   6.634   3.139
  170    HB   THR  21           HB       THR  21   4.231   7.936   2.265
  171    HG1  THR  21           HG1      THR  21   4.938  10.020   1.432
  172   1HG2  THR  21          3HG2      THR  21   6.473   9.317   3.794
  173   2HG2  THR  21          1HG2      THR  21   4.787   9.877   3.726
  174   3HG2  THR  21          2HG2      THR  21   5.162   8.315   4.466
  175    H    CYS  22           H        CYS  22   4.485   5.318   2.545
  176    HA   CYS  22           HA       CYS  22   4.067   4.633  -0.272
  177   1HB   CYS  22          1HB       CYS  22   4.636   2.529   1.832
  178   2HB   CYS  22          2HB       CYS  22   4.293   2.258   0.133
  179    OH   TYR  23           OH       TYR  23  -1.261   4.734  -5.096
  180    H    TYR  23           H        TYR  23   2.056   3.042  -0.173
  181    HA   TYR  23           HA       TYR  23   0.408   3.567   2.232
  182   1HB   TYR  23          1HB       TYR  23  -1.543   4.205   0.888
  183   2HB   TYR  23          2HB       TYR  23  -0.245   5.378   0.881
  184    HD1  TYR  23           HD2      TYR  23  -1.724   2.556  -1.150
  185    HD2  TYR  23           HD1      TYR  23   0.523   6.232  -1.212
  186    HE1  TYR  23           HE2      TYR  23  -2.183   2.806  -3.566
  187    HE2  TYR  23           HE1      TYR  23   0.015   6.507  -3.605
  188    HH   TYR  23           HH       TYR  23  -0.932   5.571  -5.455
  189    H    LYS  24           H        LYS  24  -1.412   2.307   2.301
  190    HA   LYS  24           HA       LYS  24  -1.343  -0.204   0.763
  191   1HB   LYS  24          1HB       LYS  24  -2.703  -0.572   3.241
  192   2HB   LYS  24          2HB       LYS  24  -1.201  -1.295   2.630
  193   1HG   LYS  24          2HG       LYS  24   0.143   0.422   3.687
  194   2HG   LYS  24          1HG       LYS  24  -1.309   1.225   4.305
  195   1HD   LYS  24          2HD       LYS  24  -1.952  -0.909   5.477
  196   2HD   LYS  24          1HD       LYS  24  -0.484  -1.663   4.844
  197   1HE   LYS  24          2HE       LYS  24   0.851   0.112   6.115
  198   2HE   LYS  24          1HE       LYS  24  -0.671   0.593   6.881
  199   1HZ   LYS  24          3HZ       LYS  24   0.392  -2.151   6.880
  200   2HZ   LYS  24          1HZ       LYS  24   0.654  -1.065   8.105
  201   3HZ   LYS  24          2HZ       LYS  24  -0.877  -1.580   7.755
  202    H    MET  25           H        MET  25  -3.097  -0.578  -0.348
  203    HA   MET  25           HA       MET  25  -5.319   1.383  -0.193
  204   1HB   MET  25          2HB       MET  25  -4.013   1.446  -2.245
  205   2HB   MET  25          1HB       MET  25  -4.331  -0.280  -2.446
  206   1HG   MET  25          1HG       MET  25  -6.682   0.101  -2.790
  207   2HG   MET  25          2HG       MET  25  -6.546   1.783  -2.267
  208   1HE   MET  25          2HE       MET  25  -5.540  -0.816  -4.968
  209   2HE   MET  25          1HE       MET  25  -4.982   0.209  -6.311
  210   3HE   MET  25          3HE       MET  25  -3.995   0.073  -4.841
  211    H    PHE  26           H        PHE  26  -7.382   0.674   0.051
  212    HA   PHE  26           HA       PHE  26  -8.037  -2.216   0.072
  213   1HB   PHE  26          1HB       PHE  26  -9.460  -1.677   2.083
  214   2HB   PHE  26          2HB       PHE  26  -7.729  -1.653   2.374
  215    HD1  PHE  26           HD1      PHE  26  -6.493   0.473   2.760
  216    HD2  PHE  26           HD2      PHE  26 -10.763   0.489   2.148
  217    HE1  PHE  26           HE1      PHE  26  -6.674   2.619   3.965
  218    HE2  PHE  26           HE2      PHE  26 -10.949   2.535   3.515
  219    HZ   PHE  26           HZ       PHE  26  -8.894   3.622   4.418
  220    H    ILE  27           H        ILE  27 -10.235  -2.629  -0.538
  221    HA   ILE  27           HA       ILE  27 -11.463  -0.547  -2.162
  222    HB   ILE  27           HB       ILE  27 -12.634  -3.139  -1.072
  223   1HG1  ILE  27          1HG1      ILE  27 -11.559  -2.394  -3.841
  224   2HG1  ILE  27          2HG1      ILE  27 -10.675  -3.358  -2.653
  225   1HG2  ILE  27          1HG2      ILE  27 -14.364  -1.379  -1.676
  226   2HG2  ILE  27          3HG2      ILE  27 -13.671  -1.315  -3.301
  227   3HG2  ILE  27          2HG2      ILE  27 -14.443  -2.799  -2.702
  228   1HD1  ILE  27          2HD1      ILE  27 -12.499  -5.055  -2.698
  229   2HD1  ILE  27          3HD1      ILE  27 -13.267  -4.144  -4.025
  230   3HD1  ILE  27          1HD1      ILE  27 -11.657  -4.842  -4.248
  231    NH1  ARG  28           NH1      ARG  28 -14.412   7.816  -1.318
  232    NH2  ARG  28           NH2      ARG  28 -12.419   7.136  -2.294
  233    H    ARG  28           H        ARG  28 -12.970   0.946  -1.494
  234    HA   ARG  28           HA       ARG  28 -12.662   1.911   1.105
  235   1HB   ARG  28          1HB       ARG  28 -13.392   3.122  -1.005
  236   2HB   ARG  28          2HB       ARG  28 -15.044   2.572  -0.682
  237   1HG   ARG  28          2HG       ARG  28 -15.043   3.748   1.478
  238   2HG   ARG  28          1HG       ARG  28 -13.323   4.129   1.320
  239   1HD   ARG  28          2HD       ARG  28 -15.541   5.188  -0.471
  240   2HD   ARG  28          1HD       ARG  28 -14.714   6.070   0.827
  241    HE   ARG  28           HE       ARG  28 -12.792   5.046  -1.059
  242   1HH1  ARG  28          2HH1      ARG  28 -15.197   7.611  -0.719
  243   2HH1  ARG  28          1HH1      ARG  28 -14.363   8.709  -1.786
  244   1HH2  ARG  28          1HH2      ARG  28 -11.741   6.392  -2.446
  245   2HH2  ARG  28          2HH2      ARG  28 -12.308   8.019  -2.766
  246    H    THR  29           H        THR  29 -15.122  -0.355  -0.038
  247    HA   THR  29           HA       THR  29 -16.804  -0.173   2.327
  248    HB   THR  29           HB       THR  29 -17.577  -2.433   1.390
  249    HG1  THR  29           HG1      THR  29 -16.688  -3.073  -0.543
  250   1HG2  THR  29          3HG2      THR  29 -18.713  -0.309   0.778
  251   2HG2  THR  29          1HG2      THR  29 -17.562  -0.071  -0.554
  252   3HG2  THR  29          2HG2      THR  29 -18.686  -1.444  -0.585
  253    H    HIS  30           H        HIS  30 -14.692  -2.670   1.042
  254    HA   HIS  30           HA       HIS  30 -14.360  -4.100   3.512
  255   1HB   HIS  30          2HB       HIS  30 -12.837  -4.400   0.909
  256   2HB   HIS  30          1HB       HIS  30 -13.125  -5.658   2.097
  257    HD1  HIS  30           HD1      HIS  30 -16.110  -5.556   2.594
  258    HD2  HIS  30           HD2      HIS  30 -14.407  -5.010  -1.179
  259    HE1  HIS  30           HE1      HIS  30 -17.974  -5.859   0.888
  260    NH1  ARG  31           NH2      ARG  31 -15.857   2.292   7.145
  261    NH2  ARG  31           NH1      ARG  31 -16.077   2.025   4.851
  262    H    ARG  31           H        ARG  31 -13.535  -1.761   4.313
  263    HA   ARG  31           HA       ARG  31 -10.891  -0.954   4.016
  264   1HB   ARG  31          2HB       ARG  31 -11.224   0.074   6.254
  265   2HB   ARG  31          1HB       ARG  31 -12.546   0.341   5.126
  266   1HG   ARG  31          2HG       ARG  31 -13.599  -1.836   6.379
  267   2HG   ARG  31          1HG       ARG  31 -12.467  -1.350   7.637
  268   1HD   ARG  31          1HD       ARG  31 -14.691  -0.360   7.983
  269   2HD   ARG  31          2HD       ARG  31 -13.506   0.919   7.623
  270    HE   ARG  31           HE       ARG  31 -14.837  -0.096   5.238
  271   1HH1  ARG  31          2HH2      ARG  31 -15.505   1.947   8.025
  272   2HH1  ARG  31          1HH2      ARG  31 -16.402   3.140   7.122
  273   1HH2  ARG  31          1HH1      ARG  31 -15.741   1.575   4.003
  274   2HH2  ARG  31          2HH1      ARG  31 -16.653   2.849   4.780
  275    H    GLU  32           H        GLU  32 -12.134  -3.686   5.842
  276    HA   GLU  32           HA       GLU  32  -9.636  -4.142   7.185
  277   1HB   GLU  32          2HB       GLU  32 -10.802  -5.990   8.202
  278   2HB   GLU  32          1HB       GLU  32 -11.995  -4.704   8.084
  279   1HG   GLU  32          2HG       GLU  32 -11.722  -7.152   6.254
  280   2HG   GLU  32          1HG       GLU  32 -12.945  -6.885   7.485
  281    OH   TYR  33           OH       TYR  33  -7.205  -8.661  -2.155
  282    H    TYR  33           H        TYR  33 -10.070  -4.385   4.184
  283    HA   TYR  33           HA       TYR  33  -8.244  -6.735   3.850
  284   1HB   TYR  33          1HB       TYR  33 -10.402  -7.466   3.039
  285   2HB   TYR  33          2HB       TYR  33 -10.603  -5.968   2.121
  286    HD1  TYR  33           HD1      TYR  33  -7.632  -8.314   2.352
  287    HD2  TYR  33           HD2      TYR  33 -10.698  -6.577  -0.147
  288    HE1  TYR  33           HE1      TYR  33  -6.424  -9.065   0.341
  289    HE2  TYR  33           HE2      TYR  33  -9.542  -7.459  -2.151
  290    HH   TYR  33           HH       TYR  33  -6.262  -8.764  -1.972
  291    H    ILE  34           H        ILE  34  -6.339  -5.710   3.584
  292    HA   ILE  34           HA       ILE  34  -6.100  -3.277   1.978
  293    HB   ILE  34           HB       ILE  34  -3.910  -5.106   3.005
  294   1HG1  ILE  34          2HG1      ILE  34  -5.120  -4.473   4.966
  295   2HG1  ILE  34          1HG1      ILE  34  -3.656  -3.502   4.872
  296   1HG2  ILE  34          3HG2      ILE  34  -3.284  -3.491   1.212
  297   2HG2  ILE  34          1HG2      ILE  34  -3.963  -2.168   2.148
  298   3HG2  ILE  34          2HG2      ILE  34  -2.552  -3.065   2.765
  299   1HD1  ILE  34          3HD1      ILE  34  -5.019  -1.563   4.036
  300   2HD1  ILE  34          2HD1      ILE  34  -6.483  -2.564   4.208
  301   3HD1  ILE  34          1HD1      ILE  34  -5.522  -2.144   5.627
  302    H    SER  35           H        SER  35  -6.553  -3.540  -0.038
  303    HA   SER  35           HA       SER  35  -6.565  -6.106  -1.399
  304   1HB   SER  35          1HB       SER  35  -7.392  -3.356  -2.395
  305   2HB   SER  35          2HB       SER  35  -7.950  -4.931  -2.983
  306    HG   SER  35           HG       SER  35  -8.414  -4.536  -0.267
  307    H    GLU  36           H        GLU  36  -4.530  -3.206  -1.398
  308    HA   GLU  36           HA       GLU  36  -2.560  -4.526  -2.952
  309   1HB   GLU  36          2HB       GLU  36  -4.531  -3.210  -4.557
  310   2HB   GLU  36          1HB       GLU  36  -3.148  -2.122  -4.556
  311   1HG   GLU  36          2HG       GLU  36  -2.894  -5.098  -5.142
  312   2HG   GLU  36          1HG       GLU  36  -3.294  -3.916  -6.391
  313    NH1  ARG  37           NH1      ARG  37  -1.988  -5.690   0.437
  314    NH2  ARG  37           NH2      ARG  37  -1.334  -5.657   2.647
  315    H    ARG  37           H        ARG  37  -0.906  -2.576  -3.632
  316    HA   ARG  37           HA       ARG  37  -0.797  -0.601  -1.400
  317   1HB   ARG  37          1HB       ARG  37   1.317  -2.648  -2.209
  318   2HB   ARG  37          2HB       ARG  37   1.726  -1.130  -1.427
  319   1HG   ARG  37          2HG       ARG  37   1.561  -2.413   0.424
  320   2HG   ARG  37          1HG       ARG  37  -0.080  -1.827   0.320
  321   1HD   ARG  37          2HD       ARG  37  -0.649  -3.987  -0.895
  322   2HD   ARG  37          1HD       ARG  37   1.023  -4.492  -0.674
  323    HE   ARG  37           HE       ARG  37   0.493  -4.148   1.849
  324   1HH1  ARG  37          2HH1      ARG  37  -1.730  -5.598  -0.539
  325   2HH1  ARG  37          1HH1      ARG  37  -2.893  -6.093   0.666
  326   1HH2  ARG  37          2HH2      ARG  37  -0.654  -5.440   3.383
  327   2HH2  ARG  37          1HH2      ARG  37  -2.110  -6.250   2.889
  328    H    GLY  38           H        GLY  38   0.836   1.003  -1.742
  329   1HA   GLY  38          2HA       GLY  38   1.762   1.451  -4.499
  330   2HA   GLY  38          1HA       GLY  38   0.509   2.570  -4.007
  331    H    CYS  39           H        CYS  39   2.516   3.918  -4.595
  332    HA   CYS  39           HA       CYS  39   4.618   4.099  -2.501
  333   1HB   CYS  39          2HB       CYS  39   5.363   3.735  -4.786
  334   2HB   CYS  39          1HB       CYS  39   4.404   5.100  -5.366
  335    H    GLY  40           H        GLY  40   5.168   6.136  -1.602
  336   1HA   GLY  40          2HA       GLY  40   4.312   7.758  -0.280
  337   2HA   GLY  40          1HA       GLY  40   4.874   8.596  -1.668
  338    H    CYS  41           H        CYS  41   2.461   7.797   0.453
  339    HA   CYS  41           HA       CYS  41   0.171   7.747   0.617
  340   1HB   CYS  41          1HB       CYS  41   1.758   9.181   1.864
  341   2HB   CYS  41          2HB       CYS  41   1.353  10.508   0.827
  342    HA   PRO  42           HA       PRO  42  -3.115   7.606  -2.006
  343   1HB   PRO  42          2HB       PRO  42  -3.077  10.628  -1.654
  344   2HB   PRO  42          1HB       PRO  42  -4.503   9.650  -2.150
  345   1HG   PRO  42          2HG       PRO  42  -3.981  10.010   0.491
  346   2HG   PRO  42          1HG       PRO  42  -4.509   8.424  -0.115
  347   1HD   PRO  42          2HD       PRO  42  -1.949   9.283   0.841
  348   2HD   PRO  42          1HD       PRO  42  -2.473   7.576   0.632
  349    H    THR  43           H        THR  43  -4.113   8.075  -3.825
  350    HA   THR  43           HA       THR  43  -3.220   9.228  -6.162
  351    HB   THR  43           HB       THR  43  -2.818   6.213  -6.271
  352    HG1  THR  43           HG1      THR  43  -0.986   8.146  -5.532
  353   1HG2  THR  43          1HG2      THR  43  -2.105   8.438  -8.187
  354   2HG2  THR  43          2HG2      THR  43  -1.794   6.695  -8.412
  355   3HG2  THR  43          3HG2      THR  43  -3.463   7.294  -8.347
  356    H    ALA  44           H        ALA  44  -4.303   6.468  -5.028
  357    HA   ALA  44           HA       ALA  44  -6.504   5.463  -6.317
  358   1HB   ALA  44          2HB       ALA  44  -5.418   4.415  -4.323
  359   2HB   ALA  44          3HB       ALA  44  -6.227   5.600  -3.277
  360   3HB   ALA  44          1HB       ALA  44  -7.191   4.418  -4.180
  361    H    MET  45           H        MET  45  -8.756   5.705  -6.370
  362    HA   MET  45           HA       MET  45 -10.068   7.879  -4.907
  363   1HB   MET  45          1HB       MET  45 -10.041   7.272  -7.910
  364   2HB   MET  45          2HB       MET  45 -11.202   8.317  -7.102
  365   1HG   MET  45          2HG       MET  45  -9.306   9.760  -6.301
  366   2HG   MET  45          1HG       MET  45  -8.193   8.742  -7.225
  367   1HE   MET  45          3HE       MET  45  -7.098  10.653  -8.474
  368   2HE   MET  45          2HE       MET  45  -7.993  11.960  -9.287
  369   3HE   MET  45          1HE       MET  45  -8.081  11.790  -7.517
  370    CH2  TRP  46           CH2      TRP  46 -19.947   5.135  -6.325
  371    H    TRP  46           H        TRP  46 -12.533   7.521  -5.472
  372    HA   TRP  46           HA       TRP  46 -13.403   5.118  -4.353
  373   1HB   TRP  46          1HB       TRP  46 -14.655   7.387  -4.769
  374   2HB   TRP  46          2HB       TRP  46 -14.941   6.776  -6.371
  375    HD1  TRP  46           HD1      TRP  46 -15.441   5.209  -2.834
  376    HE1  TRP  46           HE1      TRP  46 -17.843   4.237  -2.723
  377    HE3  TRP  46           HE3      TRP  46 -17.083   6.723  -7.353
  378    HZ2  TRP  46           HZ2      TRP  46 -20.172   4.160  -4.407
  379    HZ3  TRP  46           HZ3      TRP  46 -19.425   6.204  -8.127
  380    HH2  TRP  46           HH2      TRP  46 -20.955   4.918  -6.650
  381    HA   PRO  47           HA       PRO  47 -14.960   3.300  -4.567
  382   1HB   PRO  47          1HB       PRO  47 -15.065   0.649  -4.850
  383   2HB   PRO  47          2HB       PRO  47 -15.954   1.726  -5.958
  384   1HG   PRO  47          1HG       PRO  47 -13.207   0.508  -6.428
  385   2HG   PRO  47          2HG       PRO  47 -14.641   0.390  -7.492
  386   1HD   PRO  47          1HD       PRO  47 -12.729   2.323  -7.853
  387   2HD   PRO  47          2HD       PRO  47 -14.457   2.669  -8.133
  388    OH   TYR  48           OH       TYR  48  -9.451  -2.630  -7.053
  389    H    TYR  48           H        TYR  48 -11.676   3.425  -4.955
  390    HA   TYR  48           HA       TYR  48 -11.062   1.543  -2.723
  391   1HB   TYR  48          1HB       TYR  48  -9.326   3.036  -4.722
  392   2HB   TYR  48          2HB       TYR  48  -8.709   2.181  -3.316
  393    HD1  TYR  48           HD1      TYR  48  -8.939  -0.323  -3.178
  394    HD2  TYR  48           HD2      TYR  48 -10.159   1.855  -6.689
  395    HE1  TYR  48           HE1      TYR  48  -8.860  -2.417  -4.505
  396    HE2  TYR  48           HE2      TYR  48 -10.129  -0.244  -8.000
  397    HH   TYR  48           HH       TYR  48  -9.704  -2.514  -7.971
  398    H    GLN  49           H        GLN  49  -9.562   2.262  -1.134
  399    HA   GLN  49           HA       GLN  49  -9.099   5.113  -0.866
  400   1HB   GLN  49          1HB       GLN  49 -11.091   4.964   0.317
  401   2HB   GLN  49          2HB       GLN  49 -10.504   3.603   1.268
  402   1HG   GLN  49          2HG       GLN  49 -10.511   5.772   2.528
  403   2HG   GLN  49          1HG       GLN  49  -8.862   5.186   2.346
  404   1HE2  GLN  49          2HE2      GLN  49 -10.094   8.528   0.235
  405   2HE2  GLN  49          1HE2      GLN  49 -11.297   7.418   0.870
  406    H    THR  50           H        THR  50  -7.446   5.491   0.390
  407    HA   THR  50           HA       THR  50  -5.493   3.282   0.906
  408    HB   THR  50           HB       THR  50  -3.923   5.436   0.443
  409    HG1  THR  50           HG1      THR  50  -5.943   6.711   0.141
  410   1HG2  THR  50          2HG2      THR  50  -5.343   3.828  -1.713
  411   2HG2  THR  50          3HG2      THR  50  -3.834   4.751  -1.915
  412   3HG2  THR  50          1HG2      THR  50  -3.887   3.350  -0.817
  413    H    GLU  51           H        GLU  51  -4.085   3.310   2.559
  414    HA   GLU  51           HA       GLU  51  -4.208   5.548   4.529
  415   1HB   GLU  51          1HB       GLU  51  -3.900   3.992   6.383
  416   2HB   GLU  51          2HB       GLU  51  -5.451   3.806   5.561
  417   1HG   GLU  51          2HG       GLU  51  -4.375   1.934   4.230
  418   2HG   GLU  51          1HG       GLU  51  -2.991   2.044   5.331
  419    H    CYS  52           H        CYS  52  -2.151   6.346   5.022
  420    HA   CYS  52           HA       CYS  52   0.018   5.332   3.351
  421   1HB   CYS  52          2HB       CYS  52  -0.018   7.755   5.112
  422   2HB   CYS  52          1HB       CYS  52   1.008   7.432   3.715
  423    H    CYS  53           H        CYS  53   2.247   5.321   4.185
  424    HA   CYS  53           HA       CYS  53   2.765   5.363   7.035
  425   1HB   CYS  53          1HB       CYS  53   3.627   3.126   7.242
  426   2HB   CYS  53          2HB       CYS  53   1.943   3.030   6.714
  427    H    LYS  54           H        LYS  54   5.225   4.933   7.349
  428    HA   LYS  54           HA       LYS  54   6.847   5.587   4.990
  429   1HB   LYS  54          1HB       LYS  54   8.164   6.940   6.713
  430   2HB   LYS  54          2HB       LYS  54   6.746   7.702   5.993
  431   1HG   LYS  54          2HG       LYS  54   5.444   7.240   8.071
  432   2HG   LYS  54          1HG       LYS  54   6.803   6.297   8.698
  433   1HD   LYS  54          2HD       LYS  54   7.073   8.247   9.843
  434   2HD   LYS  54          1HD       LYS  54   8.183   8.509   8.503
  435   1HE   LYS  54          1HE       LYS  54   5.328   9.605   8.770
  436   2HE   LYS  54          2HE       LYS  54   6.821  10.508   9.058
  437   1HZ   LYS  54          3HZ       LYS  54   7.390  10.145   6.747
  438   2HZ   LYS  54          1HZ       LYS  54   5.930   9.415   6.493
  439   3HZ   LYS  54          2HZ       LYS  54   5.992  10.999   6.931
  440    H    GLY  55           H        GLY  55   8.835   4.600   5.064
  441   1HA   GLY  55          2HA       GLY  55  10.608   3.567   6.416
  442   2HA   GLY  55          1HA       GLY  55   9.387   2.708   7.353
  443    H    ASP  56           H        ASP  56  11.540   1.444   6.044
  444    HA   ASP  56           HA       ASP  56  10.938   0.439   3.449
  445   1HB   ASP  56          1HB       ASP  56  12.624  -1.270   4.043
  446   2HB   ASP  56          2HB       ASP  56  13.196   0.378   4.319
  447    NH1  ARG  57           NH1      ARG  57  12.975  -6.636   5.085
  448    NH2  ARG  57           NH2      ARG  57  13.543  -4.659   6.157
  449    H    ARG  57           H        ARG  57   9.484  -1.039   2.864
  450    HA   ARG  57           HA       ARG  57   7.755  -2.552   2.970
  451   1HB   ARG  57          2HB       ARG  57   9.496  -3.641   5.217
  452   2HB   ARG  57          1HB       ARG  57   8.200  -4.533   4.456
  453   1HG   ARG  57          2HG       ARG  57   9.278  -4.669   2.361
  454   2HG   ARG  57          1HG       ARG  57  10.457  -3.412   2.761
  455   1HD   ARG  57          1HD       ARG  57  10.309  -6.102   4.163
  456   2HD   ARG  57          2HD       ARG  57  11.433  -5.685   2.847
  457    HE   ARG  57           HE       ARG  57  11.668  -3.700   4.856
  458   1HH1  ARG  57          2HH1      ARG  57  12.380  -7.128   4.435
  459   2HH1  ARG  57          1HH1      ARG  57  13.708  -7.134   5.567
  460   1HH2  ARG  57          2HH2      ARG  57  13.376  -3.663   6.303
  461   2HH2  ARG  57          1HH2      ARG  57  14.286  -5.111   6.666
  462    H    CYS  58           H        CYS  58   7.534  -0.017   4.809
  463    HA   CYS  58           HA       CYS  58   6.162  -0.826   7.135
  464   1HB   CYS  58          1HB       CYS  58   5.375   1.413   7.247
  465   2HB   CYS  58          2HB       CYS  58   7.032   1.430   6.651
  466    H    ASN  59           H        ASN  59   5.034  -0.561   3.798
  467    HA   ASN  59           HA       ASN  59   2.200  -0.503   4.494
  468   1HB   ASN  59          2HB       ASN  59   1.874  -0.436   2.089
  469   2HB   ASN  59          1HB       ASN  59   3.062   0.769   2.585
  470   1HD2  ASN  59          2HD2      ASN  59   4.111  -1.156  -0.538
  471   2HD2  ASN  59          1HD2      ASN  59   2.864  -0.051  -0.006
  472    H    LYS  60           H        LYS  60   3.044  -2.656   5.764
  473    HA   LYS  60           HA       LYS  60   2.719  -5.082   4.117
  474   1HB   LYS  60          2HB       LYS  60   3.224  -6.284   6.096
  475   2HB   LYS  60          1HB       LYS  60   4.280  -4.871   6.095
  476   1HG   LYS  60          1HG       LYS  60   3.604  -4.716   8.256
  477   2HG   LYS  60          2HG       LYS  60   2.279  -3.809   7.527
  478   1HD   LYS  60          1HD       LYS  60   1.185  -6.294   7.356
  479   2HD   LYS  60          2HD       LYS  60   2.353  -6.627   8.639
  480   1HE   LYS  60          1HE       LYS  60   0.382  -5.986   9.796
  481   2HE   LYS  60          2HE       LYS  60   1.355  -4.503   9.801
  482   1HZ   LYS  60          2HZ       LYS  60   0.074  -3.937   7.726
  483   2HZ   LYS  60          1HZ       LYS  60  -0.906  -5.197   8.060
  484   3HZ   LYS  60          3HZ       LYS  60  -0.814  -3.945   9.129
   
  Start of MODEL           4
 Raw file had  484 H/Q atoms
  Start of MODEL    4
    1    NH1  ARG   1           NH2      ARG   1  14.605   5.450   4.272
    2    NH2  ARG   1           NH1      ARG   1  13.317   7.366   4.107
    3   1H    ARG   1          2H        ARG   1  11.932   2.794  -2.328
    4   2H    ARG   1          1H        ARG   1  10.890   3.724  -1.466
    5   3H    ARG   1          3H        ARG   1  12.379   4.306  -1.826
    6    HA   ARG   1           HA       ARG   1  13.426   2.649  -0.465
    7   1HB   ARG   1          1HB       ARG   1  12.023   4.654   0.625
    8   2HB   ARG   1          2HB       ARG   1  10.999   3.332   1.190
    9   1HG   ARG   1          1HG       ARG   1  13.279   2.353   2.152
   10   2HG   ARG   1          2HG       ARG   1  13.941   3.946   1.800
   11   1HD   ARG   1          1HD       ARG   1  11.364   3.540   3.337
   12   2HD   ARG   1          2HD       ARG   1  12.899   3.430   4.167
   13    HE   ARG   1           HE       ARG   1  11.593   5.864   3.180
   14   1HH1  ARG   1          1HH2      ARG   1  14.709   4.457   4.132
   15   2HH1  ARG   1          2HH2      ARG   1  15.368   5.977   4.670
   16   1HH2  ARG   1          1HH1      ARG   1  12.430   7.788   3.853
   17   2HH2  ARG   1          2HH1      ARG   1  14.055   7.936   4.493
   18    H    ILE   2           H        ILE   2  12.601   0.823   1.410
   19    HA   ILE   2           HA       ILE   2  11.241  -1.193  -0.244
   20    HB   ILE   2           HB       ILE   2  13.360  -1.287   1.672
   21   1HG1  ILE   2          1HG1      ILE   2  13.098  -2.612  -0.427
   22   2HG1  ILE   2          2HG1      ILE   2  13.602  -3.544   0.973
   23   1HG2  ILE   2          1HG2      ILE   2  10.893  -2.814   2.652
   24   2HG2  ILE   2          3HG2      ILE   2  12.557  -3.152   3.138
   25   3HG2  ILE   2          2HG2      ILE   2  11.844  -1.578   3.513
   26   1HD1  ILE   2          3HD1      ILE   2  10.694  -3.448   0.056
   27   2HD1  ILE   2          1HD1      ILE   2  11.860  -4.694  -0.426
   28   3HD1  ILE   2          2HD1      ILE   2  11.420  -4.520   1.270
   29    H    CYS   3           H        CYS   3   9.124  -1.680   0.042
   30    HA   CYS   3           HA       CYS   3   7.785  -0.892   2.586
   31   1HB   CYS   3          1HB       CYS   3   7.225   0.152  -0.184
   32   2HB   CYS   3          2HB       CYS   3   5.908  -0.043   0.972
   33    OH   TYR   4           OH       TYR   4   4.799  -6.295   7.865
   34    H    TYR   4           H        TYR   4   5.378  -1.737   2.421
   35    HA   TYR   4           HA       TYR   4   5.842  -4.566   2.303
   36   1HB   TYR   4          2HB       TYR   4   3.521  -2.762   2.941
   37   2HB   TYR   4          1HB       TYR   4   3.100  -4.359   2.345
   38    HD1  TYR   4           HD2      TYR   4   5.939  -3.336   4.614
   39    HD2  TYR   4           HD1      TYR   4   2.257  -5.543   4.171
   40    HE1  TYR   4           HE2      TYR   4   6.398  -4.554   6.728
   41    HE2  TYR   4           HE1      TYR   4   2.669  -6.663   6.325
   42    HH   TYR   4           HH       TYR   4   4.057  -6.828   8.156
   43    H    SER   5           H        SER   5   5.150  -6.090   1.156
   44    HA   SER   5           HA       SER   5   5.844  -6.071  -1.290
   45   1HB   SER   5          1HB       SER   5   3.629  -7.735  -0.104
   46   2HB   SER   5          2HB       SER   5   4.806  -8.418  -1.216
   47    HG   SER   5           HG       SER   5   5.301  -8.904   1.007
   48    H    HIS   6           H        HIS   6   5.232  -6.385  -3.225
   49    HA   HIS   6           HA       HIS   6   4.142  -5.708  -5.195
   50   1HB   HIS   6          2HB       HIS   6   3.157  -7.670  -5.738
   51   2HB   HIS   6          1HB       HIS   6   3.880  -8.139  -4.256
   52    HD1  HIS   6           HD1      HIS   6   1.553  -6.881  -2.314
   53    HD2  HIS   6           HD2      HIS   6   1.086  -9.396  -5.617
   54    HE1  HIS   6           HE1      HIS   6  -0.655  -8.085  -2.021
   55    H    LYS   7           H        LYS   7   1.277  -6.163  -5.525
   56    HA   LYS   7           HA       LYS   7  -0.156  -4.177  -4.025
   57   1HB   LYS   7          1HB       LYS   7  -0.655  -2.653  -5.976
   58   2HB   LYS   7          2HB       LYS   7   0.923  -2.461  -5.239
   59   1HG   LYS   7          2HG       LYS   7   2.042  -3.615  -7.024
   60   2HG   LYS   7          1HG       LYS   7   0.518  -4.110  -7.777
   61   1HD   LYS   7          2HD       LYS   7   1.266  -1.189  -7.409
   62   2HD   LYS   7          1HD       LYS   7   1.736  -2.137  -8.830
   63   1HE   LYS   7          1HE       LYS   7  -0.640  -2.652  -9.317
   64   2HE   LYS   7          2HE       LYS   7  -1.149  -1.683  -7.924
   65   1HZ   LYS   7          2HZ       LYS   7   0.321  -0.679 -10.252
   66   2HZ   LYS   7          1HZ       LYS   7  -1.281  -0.457  -9.939
   67   3HZ   LYS   7          3HZ       LYS   7  -0.149   0.218  -8.951
   68    H    ALA   8           H        ALA   8  -0.083  -6.026  -7.051
   69    HA   ALA   8           HA       ALA   8  -2.987  -6.710  -6.739
   70   1HB   ALA   8          3HB       ALA   8  -2.709  -4.646  -8.146
   71   2HB   ALA   8          2HB       ALA   8  -1.754  -5.614  -9.286
   72   3HB   ALA   8          1HB       ALA   8  -3.468  -5.999  -8.976
   73    H    SER   9           H        SER   9  -2.870  -7.787  -9.453
   74    HA   SER   9           HA       SER   9  -1.969 -10.471  -8.801
   75   1HB   SER   9          2HB       SER   9  -2.835 -10.871 -11.158
   76   2HB   SER   9          1HB       SER   9  -4.013 -10.151 -10.042
   77    HG   SER   9           HG       SER   9  -2.408  -8.780 -11.936
   78    H    LEU  10           H        LEU  10   0.237  -9.513  -8.407
   79    HA   LEU  10           HA       LEU  10   2.019  -9.871 -10.747
   80   1HB   LEU  10          1HB       LEU  10   2.272  -7.805  -8.511
   81   2HB   LEU  10          2HB       LEU  10   3.477  -8.074  -9.768
   82    HG   LEU  10           HG       LEU  10   0.650  -7.038 -10.263
   83   1HD1  LEU  10          1HD1      LEU  10   2.092  -5.466  -8.998
   84   2HD1  LEU  10          2HD1      LEU  10   3.328  -5.587 -10.265
   85   3HD1  LEU  10          3HD1      LEU  10   1.740  -4.880 -10.634
   86   1HD2  LEU  10          1HD2      LEU  10   3.065  -7.301 -12.121
   87   2HD2  LEU  10          2HD2      LEU  10   1.549  -8.217 -12.252
   88   3HD2  LEU  10          3HD2      LEU  10   1.546  -6.471 -12.516
   89    HA   PRO  11           HA       PRO  11   3.925 -12.724  -7.978
   90   1HB   PRO  11          1HB       PRO  11   6.546 -11.294  -8.016
   91   2HB   PRO  11          2HB       PRO  11   6.225 -13.015  -8.348
   92   1HG   PRO  11          1HG       PRO  11   6.712 -11.325 -10.432
   93   2HG   PRO  11          2HG       PRO  11   5.417 -12.552 -10.544
   94   1HD   PRO  11          2HD       PRO  11   5.145  -9.615  -9.902
   95   2HD   PRO  11          1HD       PRO  11   4.169 -10.614 -11.021
   96    NH1  ARG  12           NH2      ARG  12  -0.414 -11.298  -6.293
   97    NH2  ARG  12           NH1      ARG  12  -2.168 -12.289  -5.171
   98    H    ARG  12           H        ARG  12   4.336 -12.959  -5.756
   99    HA   ARG  12           HA       ARG  12   3.780 -10.517  -4.168
  100   1HB   ARG  12          2HB       ARG  12   3.769 -13.464  -3.409
  101   2HB   ARG  12          1HB       ARG  12   3.564 -12.080  -2.322
  102   1HG   ARG  12          1HG       ARG  12   1.397 -12.878  -2.771
  103   2HG   ARG  12          2HG       ARG  12   1.558 -11.349  -3.629
  104   1HD   ARG  12          2HD       ARG  12   1.821 -12.587  -5.773
  105   2HD   ARG  12          1HD       ARG  12   1.814 -14.115  -4.892
  106    HE   ARG  12           HE       ARG  12  -0.456 -13.910  -4.396
  107   1HH1  ARG  12          2HH2      ARG  12   0.552 -11.305  -6.601
  108   2HH1  ARG  12          1HH2      ARG  12  -0.963 -10.473  -6.514
  109   1HH2  ARG  12          1HH1      ARG  12  -2.518 -12.994  -4.540
  110   2HH2  ARG  12          2HH1      ARG  12  -2.797 -11.591  -5.537
  111    H    ALA  13           H        ALA  13   5.540  -9.395  -3.628
  112    HA   ALA  13           HA       ALA  13   7.679 -10.665  -2.060
  113   1HB   ALA  13          3HB       ALA  13   8.300  -9.252  -4.701
  114   2HB   ALA  13          2HB       ALA  13   9.502  -9.778  -3.502
  115   3HB   ALA  13          1HB       ALA  13   8.533 -10.984  -4.371
  116    H    THR  14           H        THR  14   9.076  -8.930  -1.021
  117    HA   THR  14           HA       THR  14   7.476  -6.713  -0.056
  118    HB   THR  14           HB       THR  14   9.741  -6.238   1.051
  119    HG1  THR  14           HG1      THR  14  10.875  -7.497  -0.571
  120   1HG2  THR  14          3HG2      THR  14   8.378  -8.937   1.472
  121   2HG2  THR  14          2HG2      THR  14   9.459  -8.126   2.627
  122   3HG2  THR  14          1HG2      THR  14   7.900  -7.393   2.208
  123    H    LYS  15           H        LYS  15   7.566  -4.595  -0.811
  124    HA   LYS  15           HA       LYS  15   8.701  -4.621  -3.552
  125   1HB   LYS  15          1HB       LYS  15   7.096  -3.344  -4.237
  126   2HB   LYS  15          2HB       LYS  15   6.272  -4.203  -2.945
  127   1HG   LYS  15          1HG       LYS  15   6.557  -2.179  -1.487
  128   2HG   LYS  15          2HG       LYS  15   7.211  -1.306  -2.883
  129   1HD   LYS  15          2HD       LYS  15   4.450  -2.588  -2.691
  130   2HD   LYS  15          1HD       LYS  15   4.807  -0.864  -2.589
  131   1HE   LYS  15          1HE       LYS  15   5.669  -0.938  -4.961
  132   2HE   LYS  15          2HE       LYS  15   5.240  -2.661  -5.035
  133   1HZ   LYS  15          2HZ       LYS  15   3.007  -2.131  -4.620
  134   2HZ   LYS  15          3HZ       LYS  15   3.335  -0.511  -4.617
  135   3HZ   LYS  15          1HZ       LYS  15   3.553  -1.394  -5.993
  136    H    THR  16           H        THR  16  10.679  -4.083  -3.725
  137    HA   THR  16           HA       THR  16  11.953  -1.902  -2.232
  138    HB   THR  16           HB       THR  16  12.982  -3.574  -4.565
  139    HG1  THR  16           HG1      THR  16  12.381  -4.780  -2.648
  140   1HG2  THR  16          1HG2      THR  16  14.398  -1.898  -2.433
  141   2HG2  THR  16          2HG2      THR  16  15.195  -2.920  -3.647
  142   3HG2  THR  16          3HG2      THR  16  14.278  -1.492  -4.159
  143    H    CYS  17           H        CYS  17  10.557  -0.201  -2.811
  144    HA   CYS  17           HA       CYS  17  10.269   0.519  -5.689
  145   1HB   CYS  17          1HB       CYS  17   8.416   0.522  -3.781
  146   2HB   CYS  17          2HB       CYS  17   9.168   2.104  -3.489
  147    H    VAL  18           H        VAL  18  10.351   3.148  -5.874
  148    HA   VAL  18           HA       VAL  18  13.010   3.958  -4.841
  149    HB   VAL  18           HB       VAL  18  12.815   5.721  -6.483
  150   1HG1  VAL  18          2HG1      VAL  18  14.014   3.596  -6.932
  151   2HG1  VAL  18          1HG1      VAL  18  12.533   2.918  -7.642
  152   3HG1  VAL  18          3HG1      VAL  18  13.344   4.293  -8.415
  153   1HG2  VAL  18          3HG2      VAL  18  10.331   4.343  -7.543
  154   2HG2  VAL  18          2HG2      VAL  18  10.483   6.022  -6.935
  155   3HG2  VAL  18          1HG2      VAL  18  11.296   5.538  -8.415
  156    H    GLU  19           H        GLU  19   9.619   5.201  -5.100
  157    HA   GLU  19           HA       GLU  19   9.943   7.549  -3.695
  158   1HB   GLU  19          2HB       GLU  19   7.538   5.684  -3.510
  159   2HB   GLU  19          1HB       GLU  19   7.560   7.376  -3.021
  160   1HG   GLU  19          2HG       GLU  19   6.687   7.721  -5.054
  161   2HG   GLU  19          1HG       GLU  19   8.379   7.771  -5.516
  162    H    ASN  20           H        ASN  20   9.735   8.272  -1.652
  163    HA   ASN  20           HA       ASN  20  10.516   6.511   0.546
  164   1HB   ASN  20          1HB       ASN  20  11.466   8.763   0.402
  165   2HB   ASN  20          2HB       ASN  20   9.843   9.475   0.359
  166   1HD2  ASN  20          2HD2      ASN  20  10.022   9.898   3.858
  167   2HD2  ASN  20          1HD2      ASN  20   9.731  10.631   2.293
  168    H    THR  21           H        THR  21   7.532   7.912  -0.785
  169    HA   THR  21           HA       THR  21   6.033   7.440   1.694
  170    HB   THR  21           HB       THR  21   4.191   8.355   0.168
  171    HG1  THR  21           HG1      THR  21   5.089   9.624  -1.579
  172   1HG2  THR  21          3HG2      THR  21   6.572  10.124   0.901
  173   2HG2  THR  21          1HG2      THR  21   4.948  10.718   0.490
  174   3HG2  THR  21          2HG2      THR  21   5.180   9.722   1.934
  175    H    CYS  22           H        CYS  22   4.306   5.950   1.681
  176    HA   CYS  22           HA       CYS  22   3.871   4.176  -0.598
  177   1HB   CYS  22          1HB       CYS  22   4.755   3.141   2.117
  178   2HB   CYS  22          2HB       CYS  22   4.344   2.158   0.732
  179    OH   TYR  23           OH       TYR  23  -1.379   1.246  -4.593
  180    H    TYR  23           H        TYR  23   2.158   2.444   0.359
  181    HA   TYR  23           HA       TYR  23   0.432   3.724   2.370
  182   1HB   TYR  23          1HB       TYR  23  -1.492   3.821   0.894
  183   2HB   TYR  23          2HB       TYR  23  -0.190   4.780   0.227
  184    HD1  TYR  23           HD2      TYR  23  -2.161   1.648  -0.136
  185    HD2  TYR  23           HD1      TYR  23   0.976   4.026  -1.876
  186    HE1  TYR  23           HE2      TYR  23  -2.579   0.590  -2.338
  187    HE2  TYR  23           HE1      TYR  23   0.484   3.021  -4.097
  188    HH   TYR  23           HH       TYR  23  -2.052   0.562  -4.560
  189    H    LYS  24           H        LYS  24  -1.461   2.571   2.746
  190    HA   LYS  24           HA       LYS  24  -1.402  -0.332   2.218
  191   1HB   LYS  24          1HB       LYS  24  -2.359  -0.570   4.591
  192   2HB   LYS  24          2HB       LYS  24  -0.604  -0.411   4.391
  193   1HG   LYS  24          2HG       LYS  24  -0.570   1.797   5.218
  194   2HG   LYS  24          1HG       LYS  24  -2.297   2.009   4.917
  195   1HD   LYS  24          1HD       LYS  24  -1.881   1.760   7.325
  196   2HD   LYS  24          2HD       LYS  24  -2.878   0.436   6.703
  197   1HE   LYS  24          2HE       LYS  24  -0.863  -1.049   6.652
  198   2HE   LYS  24          1HE       LYS  24   0.126   0.292   7.258
  199   1HZ   LYS  24          3HZ       LYS  24  -1.217   0.299   9.227
  200   2HZ   LYS  24          1HZ       LYS  24  -2.132  -0.951   8.650
  201   3HZ   LYS  24          2HZ       LYS  24  -0.530  -1.179   8.965
  202    H    MET  25           H        MET  25  -3.253  -1.009   1.455
  203    HA   MET  25           HA       MET  25  -5.512   0.906   1.189
  204   1HB   MET  25          1HB       MET  25  -4.206   0.572  -0.746
  205   2HB   MET  25          2HB       MET  25  -4.358  -1.163  -0.584
  206   1HG   MET  25          2HG       MET  25  -6.722  -1.099  -1.084
  207   2HG   MET  25          1HG       MET  25  -6.724   0.670  -1.064
  208   1HE   MET  25          2HE       MET  25  -4.851   1.960  -2.717
  209   2HE   MET  25          1HE       MET  25  -5.327   1.717  -4.414
  210   3HE   MET  25          3HE       MET  25  -6.566   2.059  -3.186
  211    H    PHE  26           H        PHE  26  -7.626   0.188   1.426
  212    HA   PHE  26           HA       PHE  26  -8.127  -2.643   2.113
  213   1HB   PHE  26          1HB       PHE  26  -9.532  -1.833   4.049
  214   2HB   PHE  26          2HB       PHE  26  -7.795  -1.702   4.276
  215    HD1  PHE  26           HD2      PHE  26  -6.614   0.538   4.009
  216    HD2  PHE  26           HD1      PHE  26 -10.899   0.111   4.298
  217    HE1  PHE  26           HE2      PHE  26  -6.810   2.896   4.722
  218    HE2  PHE  26           HE1      PHE  26 -11.048   2.390   5.255
  219    HZ   PHE  26           HZ       PHE  26  -8.983   3.782   5.506
  220    H    ILE  27           H        ILE  27 -10.366  -3.229   1.746
  221    HA   ILE  27           HA       ILE  27 -11.523  -1.760  -0.441
  222    HB   ILE  27           HB       ILE  27 -12.748  -3.861   1.393
  223   1HG1  ILE  27          2HG1      ILE  27 -11.490  -4.012  -1.396
  224   2HG1  ILE  27          1HG1      ILE  27 -10.783  -4.632   0.098
  225   1HG2  ILE  27          3HG2      ILE  27 -14.513  -2.496   0.270
  226   2HG2  ILE  27          2HG2      ILE  27 -13.733  -2.781  -1.298
  227   3HG2  ILE  27          1HG2      ILE  27 -14.475  -4.115  -0.394
  228   1HD1  ILE  27          2HD1      ILE  27 -12.824  -6.148   0.317
  229   2HD1  ILE  27          1HD1      ILE  27 -13.219  -5.698  -1.358
  230   3HD1  ILE  27          3HD1      ILE  27 -11.691  -6.511  -1.003
  231    NH1  ARG  28           NH1      ARG  28 -15.042   5.893  -3.190
  232    NH2  ARG  28           NH2      ARG  28 -12.771   5.420  -3.128
  233    H    ARG  28           H        ARG  28 -13.113  -0.239  -0.495
  234    HA   ARG  28           HA       ARG  28 -13.089   1.739   1.404
  235   1HB   ARG  28          1HB       ARG  28 -13.787   1.933  -0.931
  236   2HB   ARG  28          2HB       ARG  28 -15.271   1.031  -0.632
  237   1HG   ARG  28          2HG       ARG  28 -16.256   2.812   0.577
  238   2HG   ARG  28          1HG       ARG  28 -14.717   3.621   0.858
  239   1HD   ARG  28          1HD       ARG  28 -16.071   3.345  -1.852
  240   2HD   ARG  28          2HD       ARG  28 -16.038   4.798  -0.828
  241    HE   ARG  28           HE       ARG  28 -13.358   3.856  -1.358
  242   1HH1  ARG  28          1HH1      ARG  28 -15.970   5.740  -2.826
  243   2HH1  ARG  28          2HH1      ARG  28 -14.895   6.587  -3.908
  244   1HH2  ARG  28          2HH2      ARG  28 -12.009   4.883  -2.720
  245   2HH2  ARG  28          1HH2      ARG  28 -12.535   6.120  -3.816
  246    H    THR  29           H        THR  29 -15.510  -0.866   1.195
  247    HA   THR  29           HA       THR  29 -17.103   0.185   3.391
  248    HB   THR  29           HB       THR  29 -18.273  -2.082   2.905
  249    HG1  THR  29           HG1      THR  29 -17.014  -3.341   1.713
  250   1HG2  THR  29          1HG2      THR  29 -17.903  -0.093   0.616
  251   2HG2  THR  29          3HG2      THR  29 -19.228  -1.259   0.792
  252   3HG2  THR  29          2HG2      THR  29 -19.057   0.065   1.960
  253    H    HIS  30           H        HIS  30 -14.119  -1.474   3.474
  254    HA   HIS  30           HA       HIS  30 -14.848  -2.783   6.074
  255   1HB   HIS  30          1HB       HIS  30 -13.163  -4.023   3.878
  256   2HB   HIS  30          2HB       HIS  30 -13.648  -4.764   5.413
  257    HD1  HIS  30           HD1      HIS  30 -16.614  -4.388   5.557
  258    HD2  HIS  30           HD2      HIS  30 -14.726  -4.986   1.867
  259    HE1  HIS  30           HE1      HIS  30 -18.411  -5.010   3.884
  260    NH1  ARG  31           NH1      ARG  31  -8.258   3.296   8.454
  261    NH2  ARG  31           NH2      ARG  31  -7.767   1.092   7.878
  262    H    ARG  31           H        ARG  31 -13.931  -0.790   6.953
  263    HA   ARG  31           HA       ARG  31 -11.374   0.095   6.652
  264   1HB   ARG  31          2HB       ARG  31 -13.462   0.113   8.768
  265   2HB   ARG  31          1HB       ARG  31 -11.849   0.293   9.434
  266   1HG   ARG  31          2HG       ARG  31 -12.576   1.947   7.015
  267   2HG   ARG  31          1HG       ARG  31 -13.268   2.354   8.570
  268   1HD   ARG  31          1HD       ARG  31 -11.017   3.500   7.947
  269   2HD   ARG  31          2HD       ARG  31 -11.129   2.777   9.565
  270    HE   ARG  31           HE       ARG  31 -10.120   0.730   8.039
  271   1HH1  ARG  31          1HH1      ARG  31  -8.944   3.990   8.704
  272   2HH1  ARG  31          2HH1      ARG  31  -7.278   3.555   8.396
  273   1HH2  ARG  31          2HH2      ARG  31  -8.110   0.162   7.662
  274   2HH2  ARG  31          1HH2      ARG  31  -6.780   1.301   7.767
  275    H    GLU  32           H        GLU  32 -12.331  -2.428   8.961
  276    HA   GLU  32           HA       GLU  32  -9.585  -2.921   9.798
  277   1HB   GLU  32          1HB       GLU  32 -12.222  -4.328  10.425
  278   2HB   GLU  32          2HB       GLU  32 -10.677  -4.599  11.235
  279   1HG   GLU  32          2HG       GLU  32 -10.603  -2.221  11.938
  280   2HG   GLU  32          1HG       GLU  32 -12.178  -1.941  11.184
  281    OH   TYR  33           OH       TYR  33  -9.245  -9.192   1.243
  282    H    TYR  33           H        TYR  33  -9.483  -3.261   7.161
  283    HA   TYR  33           HA       TYR  33  -8.695  -6.058   6.937
  284   1HB   TYR  33          1HB       TYR  33 -11.065  -6.307   6.383
  285   2HB   TYR  33          2HB       TYR  33 -10.964  -4.946   5.260
  286    HD1  TYR  33           HD1      TYR  33  -8.366  -7.664   5.417
  287    HD2  TYR  33           HD2      TYR  33 -11.846  -6.126   3.367
  288    HE1  TYR  33           HE1      TYR  33  -7.837  -9.059   3.458
  289    HE2  TYR  33           HE2      TYR  33 -11.358  -7.613   1.456
  290    HH   TYR  33           HH       TYR  33  -9.912  -9.163   0.555
  291    H    ILE  34           H        ILE  34  -6.632  -5.022   6.689
  292    HA   ILE  34           HA       ILE  34  -6.208  -3.171   4.455
  293    HB   ILE  34           HB       ILE  34  -4.102  -4.640   6.068
  294   1HG1  ILE  34          2HG1      ILE  34  -5.416  -3.518   7.729
  295   2HG1  ILE  34          1HG1      ILE  34  -3.938  -2.606   7.455
  296   1HG2  ILE  34          1HG2      ILE  34  -3.381  -3.558   3.949
  297   2HG2  ILE  34          2HG2      ILE  34  -4.118  -2.042   4.453
  298   3HG2  ILE  34          3HG2      ILE  34  -2.734  -2.704   5.358
  299   1HD1  ILE  34          3HD1      ILE  34  -5.228  -0.955   6.075
  300   2HD1  ILE  34          2HD1      ILE  34  -6.714  -1.875   6.415
  301   3HD1  ILE  34          1HD1      ILE  34  -5.823  -1.104   7.732
  302    H    SER  35           H        SER  35  -7.003  -4.244   2.742
  303    HA   SER  35           HA       SER  35  -6.439  -6.970   2.088
  304   1HB   SER  35          1HB       SER  35  -7.514  -5.055   0.047
  305   2HB   SER  35          2HB       SER  35  -8.098  -6.649   0.526
  306    HG   SER  35           HG       SER  35  -8.657  -5.343   2.614
  307    H    GLU  36           H        GLU  36  -5.068  -3.828   1.045
  308    HA   GLU  36           HA       GLU  36  -3.087  -5.262  -0.657
  309   1HB   GLU  36          2HB       GLU  36  -5.052  -3.109  -1.518
  310   2HB   GLU  36          1HB       GLU  36  -3.484  -3.268  -2.323
  311   1HG   GLU  36          2HG       GLU  36  -3.941  -5.514  -3.001
  312   2HG   GLU  36          1HG       GLU  36  -5.434  -5.583  -2.047
  313    NH1  ARG  37           NH2      ARG  37  -2.067  -5.955   4.053
  314    NH2  ARG  37           NH1      ARG  37  -1.252  -5.088   6.047
  315    H    ARG  37           H        ARG  37  -1.414  -3.622  -1.417
  316    HA   ARG  37           HA       ARG  37  -0.909  -1.398   0.407
  317   1HB   ARG  37          1HB       ARG  37   0.894  -3.879   0.244
  318   2HB   ARG  37          2HB       ARG  37   1.537  -2.278   0.575
  319   1HG   ARG  37          2HG       ARG  37   1.279  -2.838   2.697
  320   2HG   ARG  37          1HG       ARG  37  -0.291  -2.152   2.419
  321   1HD   ARG  37          2HD       ARG  37  -1.222  -4.426   2.133
  322   2HD   ARG  37          1HD       ARG  37   0.401  -5.139   2.221
  323    HE   ARG  37           HE       ARG  37   0.310  -3.837   4.580
  324   1HH1  ARG  37          2HH2      ARG  37  -1.972  -6.061   3.057
  325   2HH1  ARG  37          1HH2      ARG  37  -2.908  -6.319   4.491
  326   1HH2  ARG  37          2HH1      ARG  37  -0.600  -4.468   6.542
  327   2HH2  ARG  37          1HH1      ARG  37  -1.904  -5.633   6.586
  328    H    GLY  38           H        GLY  38   1.033  -0.217  -0.338
  329   1HA   GLY  38          1HA       GLY  38   2.147  -0.874  -2.871
  330   2HA   GLY  38          2HA       GLY  38   0.877   0.289  -3.176
  331    H    CYS  39           H        CYS  39   2.808   1.420  -4.045
  332    HA   CYS  39           HA       CYS  39   4.649   2.713  -2.087
  333   1HB   CYS  39          2HB       CYS  39   5.857   1.195  -3.461
  334   2HB   CYS  39          1HB       CYS  39   4.968   1.676  -4.916
  335    H    GLY  40           H        GLY  40   5.297   4.941  -2.636
  336   1HA   GLY  40          1HA       GLY  40   4.828   7.079  -3.010
  337   2HA   GLY  40          2HA       GLY  40   4.615   6.585  -4.655
  338    H    CYS  41           H        CYS  41   3.118   6.756  -1.860
  339    HA   CYS  41           HA       CYS  41   0.505   6.395  -1.640
  340   1HB   CYS  41          2HB       CYS  41   1.546   7.613   0.067
  341   2HB   CYS  41          1HB       CYS  41   1.861   9.004  -0.962
  342    HA   PRO  42           HA       PRO  42  -1.427   8.727  -5.091
  343   1HB   PRO  42          2HB       PRO  42  -2.719   6.738  -6.359
  344   2HB   PRO  42          1HB       PRO  42  -0.942   6.828  -6.421
  345   1HG   PRO  42          1HG       PRO  42  -2.666   5.118  -4.596
  346   2HG   PRO  42          2HG       PRO  42  -1.247   4.606  -5.552
  347   1HD   PRO  42          2HD       PRO  42  -1.220   5.403  -2.852
  348   2HD   PRO  42          1HD       PRO  42   0.216   5.425  -3.937
  349    H    THR  43           H        THR  43  -3.971   8.527  -5.722
  350    HA   THR  43           HA       THR  43  -5.443   8.914  -3.263
  351    HB   THR  43           HB       THR  43  -7.309   9.022  -5.274
  352    HG1  THR  43           HG1      THR  43  -5.860   8.452  -6.897
  353   1HG2  THR  43          2HG2      THR  43  -5.227  11.114  -4.556
  354   2HG2  THR  43          3HG2      THR  43  -6.786  11.427  -5.367
  355   3HG2  THR  43          1HG2      THR  43  -6.759  10.800  -3.707
  356    H    ALA  44           H        ALA  44  -7.295   7.886  -2.633
  357    HA   ALA  44           HA       ALA  44  -7.288   4.978  -2.905
  358   1HB   ALA  44          3HB       ALA  44  -7.811   6.082  -0.759
  359   2HB   ALA  44          1HB       ALA  44  -9.256   6.821  -1.482
  360   3HB   ALA  44          2HB       ALA  44  -9.135   5.054  -1.342
  361    H    MET  45           H        MET  45  -7.673   4.742  -5.189
  362    HA   MET  45           HA       MET  45  -9.946   5.755  -6.549
  363   1HB   MET  45          1HB       MET  45  -8.318   3.204  -6.972
  364   2HB   MET  45          2HB       MET  45  -9.469   3.885  -8.130
  365   1HG   MET  45          2HG       MET  45  -8.138   5.971  -8.248
  366   2HG   MET  45          1HG       MET  45  -6.951   5.273  -7.136
  367   1HE   MET  45          2HE       MET  45  -6.076   6.574  -9.804
  368   2HE   MET  45          1HE       MET  45  -4.954   5.766  -8.678
  369   3HE   MET  45          3HE       MET  45  -4.920   5.365 -10.411
  370    CH2  TRP  46           CH2      TRP  46 -18.507   0.969  -8.763
  371    H    TRP  46           H        TRP  46 -11.916   4.647  -7.173
  372    HA   TRP  46           HA       TRP  46 -13.223   3.322  -4.990
  373   1HB   TRP  46          1HB       TRP  46 -14.321   4.779  -6.818
  374   2HB   TRP  46          2HB       TRP  46 -13.987   3.485  -7.921
  375    HD1  TRP  46           HD1      TRP  46 -15.859   3.661  -4.492
  376    HE1  TRP  46           HE1      TRP  46 -18.090   2.368  -4.753
  377    HE3  TRP  46           HE3      TRP  46 -15.486   2.482  -9.374
  378    HZ2  TRP  46           HZ2      TRP  46 -19.505   0.989  -6.844
  379    HZ3  TRP  46           HZ3      TRP  46 -17.291   1.158 -10.538
  380    HH2  TRP  46           HH2      TRP  46 -19.289   0.413  -9.259
  381    HA   PRO  47           HA       PRO  47 -14.464   1.682  -4.301
  382   1HB   PRO  47          1HB       PRO  47 -15.341  -0.732  -3.660
  383   2HB   PRO  47          2HB       PRO  47 -15.673  -0.105  -5.296
  384   1HG   PRO  47          2HG       PRO  47 -13.415  -1.968  -4.476
  385   2HG   PRO  47          1HG       PRO  47 -14.591  -2.197  -5.801
  386   1HD   PRO  47          1HD       PRO  47 -12.067  -1.042  -6.131
  387   2HD   PRO  47          2HD       PRO  47 -13.467  -0.676  -7.173
  388    OH   TYR  48           OH       TYR  48  -8.602  -3.708  -5.426
  389    H    TYR  48           H        TYR  48 -11.687   2.037  -3.794
  390    HA   TYR  48           HA       TYR  48 -11.244   0.404  -1.326
  391   1HB   TYR  48          1HB       TYR  48  -9.267   1.900  -3.076
  392   2HB   TYR  48          2HB       TYR  48  -8.915   1.050  -1.589
  393    HD1  TYR  48           HD2      TYR  48  -9.131  -1.472  -1.495
  394    HD2  TYR  48           HD1      TYR  48  -9.629   0.705  -5.182
  395    HE1  TYR  48           HE2      TYR  48  -8.666  -3.538  -2.776
  396    HE2  TYR  48           HE1      TYR  48  -9.225  -1.379  -6.460
  397    HH   TYR  48           HH       TYR  48  -8.071  -4.342  -4.928
  398    H    GLN  49           H        GLN  49 -10.183   1.414   0.354
  399    HA   GLN  49           HA       GLN  49 -10.210   4.363   0.525
  400   1HB   GLN  49          2HB       GLN  49 -11.109   2.383   2.506
  401   2HB   GLN  49          1HB       GLN  49 -10.082   3.736   3.033
  402   1HG   GLN  49          2HG       GLN  49 -11.656   5.346   2.023
  403   2HG   GLN  49          1HG       GLN  49 -12.768   4.022   1.686
  404   1HE2  GLN  49          2HE2      GLN  49 -13.750   3.767   5.164
  405   2HE2  GLN  49          1HE2      GLN  49 -13.798   2.905   3.644
  406    H    THR  50           H        THR  50  -8.173   5.018   1.542
  407    HA   THR  50           HA       THR  50  -6.109   2.947   1.894
  408    HB   THR  50           HB       THR  50  -5.755   5.266  -0.025
  409    HG1  THR  50           HG1      THR  50  -6.805   2.702  -0.384
  410   1HG2  THR  50          3HG2      THR  50  -4.103   2.778   0.391
  411   2HG2  THR  50          2HG2      THR  50  -3.864   3.966  -0.908
  412   3HG2  THR  50          1HG2      THR  50  -3.649   4.461   0.776
  413    H    GLU  51           H        GLU  51  -4.268   3.736   2.889
  414    HA   GLU  51           HA       GLU  51  -4.332   6.450   4.018
  415   1HB   GLU  51          1HB       GLU  51  -4.043   5.749   6.322
  416   2HB   GLU  51          2HB       GLU  51  -5.580   5.200   5.643
  417   1HG   GLU  51          2HG       GLU  51  -4.335   3.013   5.114
  418   2HG   GLU  51          1HG       GLU  51  -3.112   3.581   6.278
  419    H    CYS  52           H        CYS  52  -2.301   7.288   4.136
  420    HA   CYS  52           HA       CYS  52  -0.180   5.655   2.880
  421   1HB   CYS  52          1HB       CYS  52  -0.787   8.603   2.950
  422   2HB   CYS  52          2HB       CYS  52   0.650   7.889   2.230
  423    H    CYS  53           H        CYS  53   2.052   6.330   3.336
  424    HA   CYS  53           HA       CYS  53   2.691   7.660   5.825
  425   1HB   CYS  53          1HB       CYS  53   3.715   5.734   6.948
  426   2HB   CYS  53          2HB       CYS  53   1.987   5.465   6.714
  427    H    LYS  54           H        LYS  54   5.267   7.129   6.199
  428    HA   LYS  54           HA       LYS  54   6.664   6.719   3.688
  429   1HB   LYS  54          2HB       LYS  54   8.111   8.667   4.547
  430   2HB   LYS  54          1HB       LYS  54   6.648   9.089   3.643
  431   1HG   LYS  54          2HG       LYS  54   5.480   9.602   5.743
  432   2HG   LYS  54          1HG       LYS  54   6.891   9.070   6.689
  433   1HD   LYS  54          1HD       LYS  54   8.259  10.854   5.611
  434   2HD   LYS  54          2HD       LYS  54   6.834  11.408   4.716
  435   1HE   LYS  54          2HE       LYS  54   7.125  11.346   7.764
  436   2HE   LYS  54          1HE       LYS  54   7.295  12.781   6.740
  437   1HZ   LYS  54          2HZ       LYS  54   5.021  12.492   6.057
  438   2HZ   LYS  54          3HZ       LYS  54   4.853  11.183   7.045
  439   3HZ   LYS  54          1HZ       LYS  54   5.137  12.670   7.690
  440    H    GLY  55           H        GLY  55   8.751   5.901   4.081
  441   1HA   GLY  55          2HA       GLY  55  10.563   5.498   5.676
  442   2HA   GLY  55          1HA       GLY  55   9.381   5.157   6.941
  443    H    ASP  56           H        ASP  56  11.445   3.363   6.333
  444    HA   ASP  56           HA       ASP  56  10.891   1.409   4.377
  445   1HB   ASP  56          1HB       ASP  56  12.378  -0.016   5.782
  446   2HB   ASP  56          2HB       ASP  56  13.093   1.533   5.357
  447    NH1  ARG  57           NH1      ARG  57  12.506  -4.467   8.538
  448    NH2  ARG  57           NH2      ARG  57  12.986  -2.246   9.004
  449    H    ARG  57           H        ARG  57   9.375  -0.168   4.307
  450    HA   ARG  57           HA       ARG  57   7.466  -1.260   4.802
  451   1HB   ARG  57          1HB       ARG  57   8.963  -1.810   7.379
  452   2HB   ARG  57          2HB       ARG  57   7.805  -2.792   6.476
  453   1HG   ARG  57          2HG       ARG  57   9.275  -3.475   4.853
  454   2HG   ARG  57          1HG       ARG  57  10.386  -2.123   5.106
  455   1HD   ARG  57          2HD       ARG  57   9.967  -4.297   7.166
  456   2HD   ARG  57          1HD       ARG  57  11.277  -4.268   5.959
  457    HE   ARG  57           HE       ARG  57  11.248  -1.769   7.307
  458   1HH1  ARG  57          2HH1      ARG  57  11.973  -5.146   8.016
  459   2HH1  ARG  57          1HH1      ARG  57  13.181  -4.778   9.220
  460   1HH2  ARG  57          2HH2      ARG  57  12.838  -1.257   8.802
  461   2HH2  ARG  57          1HH2      ARG  57  13.665  -2.506   9.702
  462    H    CYS  58           H        CYS  58   7.377   1.662   5.749
  463    HA   CYS  58           HA       CYS  58   6.125   1.770   8.263
  464   1HB   CYS  58          1HB       CYS  58   5.348   3.921   7.593
  465   2HB   CYS  58          2HB       CYS  58   6.967   3.683   6.938
  466    H    ASN  59           H        ASN  59   4.833   0.933   5.085
  467    HA   ASN  59           HA       ASN  59   2.022   1.057   5.901
  468   1HB   ASN  59          2HB       ASN  59   1.633   0.315   3.607
  469   2HB   ASN  59          1HB       ASN  59   2.654   1.754   3.654
  470   1HD2  ASN  59          2HD2      ASN  59   3.996  -0.664   1.112
  471   2HD2  ASN  59          1HD2      ASN  59   2.589   0.334   1.376
  472    H    LYS  60           H        LYS  60   3.024  -0.543   7.694
  473    HA   LYS  60           HA       LYS  60   2.804  -3.378   6.817
  474   1HB   LYS  60          2HB       LYS  60   3.438  -3.813   9.222
  475   2HB   LYS  60          1HB       LYS  60   4.672  -3.080   8.191
  476   1HG   LYS  60          1HG       LYS  60   4.365  -0.904   9.176
  477   2HG   LYS  60          2HG       LYS  60   2.981  -1.477  10.132
  478   1HD   LYS  60          2HD       LYS  60   4.465  -3.024  11.358
  479   2HD   LYS  60          1HD       LYS  60   5.826  -2.569  10.316
  480   1HE   LYS  60          1HE       LYS  60   5.978  -1.403  12.473
  481   2HE   LYS  60          2HE       LYS  60   5.738  -0.248  11.151
  482   1HZ   LYS  60          1HZ       LYS  60   3.630  -1.248  12.940
  483   2HZ   LYS  60          3HZ       LYS  60   4.359   0.227  13.045
  484   3HZ   LYS  60          2HZ       LYS  60   3.431  -0.141  11.736
   
  Start of MODEL           5
 Raw file had  484 H/Q atoms
  Start of MODEL    5
    1    NH1  ARG   1           NH1      ARG   1  12.245   4.904   4.329
    2    NH2  ARG   1           NH2      ARG   1  10.920   6.795   4.452
    3   1H    ARG   1          1H        ARG   1  13.624   3.503  -1.466
    4   2H    ARG   1          3H        ARG   1  14.294   4.160  -0.104
    5   3H    ARG   1          2H        ARG   1  14.532   2.559  -0.462
    6    HA   ARG   1           HA       ARG   1  12.915   2.752   1.258
    7   1HB   ARG   1          1HB       ARG   1  12.133   5.006   0.783
    8   2HB   ARG   1          2HB       ARG   1  11.539   4.494  -0.790
    9   1HG   ARG   1          2HG       ARG   1   9.629   4.703   0.572
   10   2HG   ARG   1          1HG       ARG   1   9.881   2.972   0.430
   11   1HD   ARG   1          2HD       ARG   1   9.398   3.297   2.692
   12   2HD   ARG   1          1HD       ARG   1  11.149   3.170   2.707
   13    HE   ARG   1           HE       ARG   1   9.573   5.736   2.707
   14   1HH1  ARG   1          1HH1      ARG   1  12.468   3.983   3.961
   15   2HH1  ARG   1          2HH1      ARG   1  12.871   5.298   5.015
   16   1HH2  ARG   1          2HH2      ARG   1  10.086   7.303   4.168
   17   2HH2  ARG   1          1HH2      ARG   1  11.520   7.192   5.159
   18    H    ILE   2           H        ILE   2  12.674   0.544   1.093
   19    HA   ILE   2           HA       ILE   2  11.418  -0.679  -1.286
   20    HB   ILE   2           HB       ILE   2  13.395  -1.489   0.589
   21   1HG1  ILE   2          1HG1      ILE   2  13.195  -2.036  -1.824
   22   2HG1  ILE   2          2HG1      ILE   2  13.647  -3.387  -0.785
   23   1HG2  ILE   2          1HG2      ILE   2  10.891  -3.193   1.004
   24   2HG2  ILE   2          3HG2      ILE   2  12.544  -3.621   1.470
   25   3HG2  ILE   2          2HG2      ILE   2  11.758  -2.230   2.218
   26   1HD1  ILE   2          3HD1      ILE   2  10.775  -2.916  -1.691
   27   2HD1  ILE   2          2HD1      ILE   2  11.927  -3.960  -2.538
   28   3HD1  ILE   2          1HD1      ILE   2  11.433  -4.349  -0.884
   29    H    CYS   3           H        CYS   3   9.224  -1.429  -1.247
   30    HA   CYS   3           HA       CYS   3   7.861  -1.552   1.356
   31   1HB   CYS   3          1HB       CYS   3   7.425   0.671  -0.600
   32   2HB   CYS   3          2HB       CYS   3   5.996  -0.041   0.144
   33    OH   TYR   4           OH       TYR   4   6.793  -6.952   5.243
   34    H    TYR   4           H        TYR   4   5.457  -2.105   0.951
   35    HA   TYR   4           HA       TYR   4   5.591  -4.582  -0.638
   36   1HB   TYR   4          2HB       TYR   4   3.651  -3.382   1.394
   37   2HB   TYR   4          1HB       TYR   4   3.365  -4.905   0.659
   38    HD1  TYR   4           HD2      TYR   4   6.889  -4.980   1.154
   39    HD2  TYR   4           HD1      TYR   4   3.144  -5.126   3.285
   40    HE1  TYR   4           HE2      TYR   4   7.979  -6.165   3.010
   41    HE2  TYR   4           HE1      TYR   4   4.230  -6.361   5.115
   42    HH   TYR   4           HH       TYR   4   6.167  -7.109   5.955
   43    H    SER   5           H        SER   5   3.788  -5.221  -1.996
   44    HA   SER   5           HA       SER   5   2.583  -2.942  -3.504
   45   1HB   SER   5          2HB       SER   5   3.229  -3.924  -5.603
   46   2HB   SER   5          1HB       SER   5   4.672  -3.613  -4.622
   47    HG   SER   5           HG       SER   5   4.589  -5.898  -4.040
   48    H    HIS   6           H        HIS   6   2.644  -6.517  -3.914
   49    HA   HIS   6           HA       HIS   6  -0.102  -6.638  -4.582
   50   1HB   HIS   6          1HB       HIS   6   0.290  -8.807  -5.001
   51   2HB   HIS   6          2HB       HIS   6   1.970  -8.438  -4.670
   52    HD1  HIS   6           HD1      HIS   6  -0.933  -9.568  -2.266
   53    HD2  HIS   6           HD2      HIS   6   3.021 -10.359  -3.343
   54    HE1  HIS   6           HE1      HIS   6  -0.218 -11.592  -0.981
   55    H    LYS   7           H        LYS   7  -2.015  -7.262  -3.360
   56    HA   LYS   7           HA       LYS   7  -2.237  -5.982  -0.879
   57   1HB   LYS   7          2HB       LYS   7  -4.340  -7.290  -0.616
   58   2HB   LYS   7          1HB       LYS   7  -4.196  -6.416  -2.125
   59   1HG   LYS   7          2HG       LYS   7  -4.407  -8.234  -3.381
   60   2HG   LYS   7          1HG       LYS   7  -3.218  -9.172  -2.473
   61   1HD   LYS   7          1HD       LYS   7  -6.078  -8.702  -1.538
   62   2HD   LYS   7          2HD       LYS   7  -5.558 -10.112  -2.468
   63   1HE   LYS   7          2HE       LYS   7  -3.943 -10.731  -0.689
   64   2HE   LYS   7          1HE       LYS   7  -4.438  -9.334   0.274
   65   1HZ   LYS   7          2HZ       LYS   7  -6.188 -11.541  -0.530
   66   2HZ   LYS   7          3HZ       LYS   7  -5.545 -11.303   0.969
   67   3HZ   LYS   7          1HZ       LYS   7  -6.638 -10.230   0.361
   68    H    ALA   8           H        ALA   8  -1.372  -6.457   1.067
   69    HA   ALA   8           HA       ALA   8  -0.348  -7.554   2.760
   70   1HB   ALA   8          2HB       ALA   8  -2.555  -8.699   2.915
   71   2HB   ALA   8          1HB       ALA   8  -1.937 -10.005   1.878
   72   3HB   ALA   8          3HB       ALA   8  -1.200  -9.704   3.458
   73    H    SER   9           H        SER   9   1.124  -7.271   0.382
   74    HA   SER   9           HA       SER   9   2.459  -9.753  -0.216
   75   1HB   SER   9          2HB       SER   9   4.169  -8.153  -1.322
   76   2HB   SER   9          1HB       SER   9   2.547  -8.139  -1.967
   77    HG   SER   9           HG       SER   9   2.084  -6.301  -0.997
   78    H    LEU  10           H        LEU  10   4.668  -9.968  -0.231
   79    HA   LEU  10           HA       LEU  10   6.664  -8.925   1.282
   80   1HB   LEU  10          1HB       LEU  10   5.631  -9.482   3.325
   81   2HB   LEU  10          2HB       LEU  10   5.271 -11.122   2.876
   82    HG   LEU  10           HG       LEU  10   7.156 -10.693   4.497
   83   1HD1  LEU  10          3HD1      LEU  10   7.033 -12.858   3.359
   84   2HD1  LEU  10          1HD1      LEU  10   8.070 -12.246   2.047
   85   3HD1  LEU  10          2HD1      LEU  10   8.696 -12.365   3.693
   86   1HD2  LEU  10          3HD2      LEU  10   8.121  -8.704   3.358
   87   2HD2  LEU  10          1HD2      LEU  10   9.325  -9.946   3.747
   88   3HD2  LEU  10          2HD2      LEU  10   8.762  -9.763   2.083
   89    HA   PRO  11           HA       PRO  11   7.709 -12.847  -1.158
   90   1HB   PRO  11          1HB       PRO  11   5.931 -14.843  -1.621
   91   2HB   PRO  11          2HB       PRO  11   6.714 -14.677  -0.023
   92   1HG   PRO  11          2HG       PRO  11   3.988 -13.603  -0.850
   93   2HG   PRO  11          1HG       PRO  11   4.363 -14.647   0.554
   94   1HD   PRO  11          2HD       PRO  11   4.210 -11.937   0.800
   95   2HD   PRO  11          1HD       PRO  11   5.448 -12.878   1.683
   96    NH1  ARG  12           NH1      ARG  12  -0.461 -11.583  -5.856
   97    NH2  ARG  12           NH2      ARG  12  -0.562 -13.146  -4.149
   98    H    ARG  12           H        ARG  12   6.911 -13.775  -3.415
   99    HA   ARG  12           HA       ARG  12   6.226 -13.436  -5.522
  100   1HB   ARG  12          2HB       ARG  12   4.014 -13.835  -4.448
  101   2HB   ARG  12          1HB       ARG  12   3.812 -12.102  -4.280
  102   1HG   ARG  12          2HG       ARG  12   4.314 -12.200  -6.961
  103   2HG   ARG  12          1HG       ARG  12   3.663 -13.824  -6.719
  104   1HD   ARG  12          1HD       ARG  12   2.359 -11.146  -6.074
  105   2HD   ARG  12          2HD       ARG  12   1.860 -12.322  -7.310
  106    HE   ARG  12           HE       ARG  12   1.823 -13.573  -4.747
  107   1HH1  ARG  12          2HH1      ARG  12   0.070 -11.127  -6.583
  108   2HH1  ARG  12          1HH1      ARG  12  -1.429 -11.338  -5.718
  109   1HH2  ARG  12          2HH2      ARG  12  -0.097 -13.830  -3.569
  110   2HH2  ARG  12          1HH2      ARG  12  -1.533 -12.931  -3.980
  111    H    ALA  13           H        ALA  13   4.978 -10.347  -4.176
  112    HA   ALA  13           HA       ALA  13   6.937  -8.902  -5.902
  113   1HB   ALA  13          3HB       ALA  13   4.945  -9.222  -7.302
  114   2HB   ALA  13          1HB       ALA  13   3.926  -8.491  -6.042
  115   3HB   ALA  13          2HB       ALA  13   5.158  -7.514  -6.866
  116    H    THR  14           H        THR  14   7.724  -7.154  -5.027
  117    HA   THR  14           HA       THR  14   6.379  -5.500  -3.048
  118    HB   THR  14           HB       THR  14   8.514  -5.405  -1.704
  119    HG1  THR  14           HG1      THR  14   9.067  -7.847  -3.046
  120   1HG2  THR  14          3HG2      THR  14   6.541  -6.723  -0.895
  121   2HG2  THR  14          1HG2      THR  14   7.182  -8.159  -1.711
  122   3HG2  THR  14          2HG2      THR  14   8.088  -7.421  -0.380
  123    H    LYS  15           H        LYS  15   7.893  -3.344  -3.054
  124    HA   LYS  15           HA       LYS  15   9.398  -3.215  -5.618
  125   1HB   LYS  15          2HB       LYS  15   8.131  -1.420  -6.525
  126   2HB   LYS  15          1HB       LYS  15   7.050  -2.785  -6.218
  127   1HG   LYS  15          2HG       LYS  15   6.416  -1.593  -4.014
  128   2HG   LYS  15          1HG       LYS  15   7.270  -0.186  -4.647
  129   1HD   LYS  15          2HD       LYS  15   4.831  -1.595  -5.829
  130   2HD   LYS  15          1HD       LYS  15   4.894   0.026  -5.148
  131   1HE   LYS  15          2HE       LYS  15   6.185  -0.929  -7.750
  132   2HE   LYS  15          1HE       LYS  15   4.772   0.114  -7.587
  133   1HZ   LYS  15          3HZ       LYS  15   7.473   0.803  -6.674
  134   2HZ   LYS  15          1HZ       LYS  15   6.762   1.338  -8.058
  135   3HZ   LYS  15          2HZ       LYS  15   6.142   1.774  -6.598
  136    H    THR  16           H        THR  16  10.873  -1.694  -5.818
  137    HA   THR  16           HA       THR  16  11.705  -0.254  -3.381
  138    HB   THR  16           HB       THR  16  13.220  -0.794  -5.964
  139    HG1  THR  16           HG1      THR  16  14.071  -2.565  -4.839
  140   1HG2  THR  16          2HG2      THR  16  14.148  -0.090  -3.133
  141   2HG2  THR  16          1HG2      THR  16  15.211  -0.455  -4.506
  142   3HG2  THR  16          3HG2      THR  16  14.197   0.995  -4.541
  143    H    CYS  17           H        CYS  17  11.726   1.958  -3.316
  144    HA   CYS  17           HA       CYS  17  11.596   3.576  -5.785
  145   1HB   CYS  17          1HB       CYS  17   9.460   3.325  -3.680
  146   2HB   CYS  17          2HB       CYS  17   9.707   4.865  -4.564
  147    H    VAL  18           H        VAL  18  11.457   5.989  -4.874
  148    HA   VAL  18           HA       VAL  18  13.660   6.321  -2.880
  149    HB   VAL  18           HB       VAL  18  12.751   8.020  -5.206
  150   1HG1  VAL  18          1HG2      VAL  18  15.292   8.114  -3.509
  151   2HG1  VAL  18          3HG2      VAL  18  15.138   8.951  -5.065
  152   3HG1  VAL  18          2HG2      VAL  18  14.098   9.415  -3.734
  153   1HG2  VAL  18          1HG1      VAL  18  15.016   5.970  -5.093
  154   2HG2  VAL  18          3HG1      VAL  18  13.582   5.899  -6.141
  155   3HG2  VAL  18          2HG1      VAL  18  14.797   7.138  -6.411
  156    H    GLU  19           H        GLU  19  10.356   6.631  -2.906
  157    HA   GLU  19           HA       GLU  19   9.870   9.374  -2.260
  158   1HB   GLU  19          1HB       GLU  19   8.076   7.390  -1.090
  159   2HB   GLU  19          2HB       GLU  19   7.654   8.646  -2.255
  160   1HG   GLU  19          2HG       GLU  19   7.095   6.722  -3.352
  161   2HG   GLU  19          1HG       GLU  19   8.723   6.824  -3.926
  162    H    ASN  20           H        ASN  20   8.980   9.987  -0.168
  163    HA   ASN  20           HA       ASN  20  10.449   8.861   2.122
  164   1HB   ASN  20          1HB       ASN  20  10.229  11.299   1.971
  165   2HB   ASN  20          2HB       ASN  20   8.466  11.158   1.857
  166   1HD2  ASN  20          2HD2      ASN  20  10.242  10.389   5.518
  167   2HD2  ASN  20          1HD2      ASN  20  11.159  10.068   4.055
  168    H    THR  21           H        THR  21   7.238   8.551   0.571
  169    HA   THR  21           HA       THR  21   6.285   7.070   2.955
  170    HB   THR  21           HB       THR  21   4.026   7.989   2.082
  171    HG1  THR  21           HG1      THR  21   5.643  10.096   1.152
  172   1HG2  THR  21          1HG2      THR  21   6.016   9.872   3.439
  173   2HG2  THR  21          3HG2      THR  21   4.253  10.089   3.403
  174   3HG2  THR  21          2HG2      THR  21   4.954   8.696   4.241
  175    H    CYS  22           H        CYS  22   4.769   5.471   2.560
  176    HA   CYS  22           HA       CYS  22   4.433   4.430  -0.194
  177   1HB   CYS  22          1HB       CYS  22   4.723   2.655   2.252
  178   2HB   CYS  22          2HB       CYS  22   4.726   2.189   0.574
  179    OH   TYR  23           OH       TYR  23  -0.381   2.058  -5.097
  180    H    TYR  23           H        TYR  23   2.516   2.637   0.195
  181    HA   TYR  23           HA       TYR  23   0.611   3.604   2.234
  182   1HB   TYR  23          1HB       TYR  23  -1.105   4.145   0.618
  183   2HB   TYR  23          2HB       TYR  23   0.341   5.046   0.236
  184    HD1  TYR  23           HD1      TYR  23   1.716   4.393  -1.821
  185    HD2  TYR  23           HD2      TYR  23  -1.972   2.382  -0.850
  186    HE1  TYR  23           HE1      TYR  23   1.475   3.659  -4.175
  187    HE2  TYR  23           HE2      TYR  23  -2.100   1.498  -3.149
  188    HH   TYR  23           HH       TYR  23  -1.054   1.380  -5.241
  189    H    LYS  24           H        LYS  24  -1.392   2.526   2.070
  190    HA   LYS  24           HA       LYS  24  -1.443  -0.122   0.794
  191   1HB   LYS  24          1HB       LYS  24  -2.273  -1.252   2.794
  192   2HB   LYS  24          2HB       LYS  24  -0.678  -0.545   3.088
  193   1HG   LYS  24          2HG       LYS  24  -1.915   1.453   4.129
  194   2HG   LYS  24          1HG       LYS  24  -3.381   0.458   4.035
  195   1HD   LYS  24          2HD       LYS  24  -2.537   0.207   6.244
  196   2HD   LYS  24          1HD       LYS  24  -2.171  -1.311   5.411
  197   1HE   LYS  24          1HE       LYS  24   0.141  -0.667   5.124
  198   2HE   LYS  24          2HE       LYS  24  -0.178   0.994   5.687
  199   1HZ   LYS  24          1HZ       LYS  24  -0.765  -0.021   7.829
  200   2HZ   LYS  24          2HZ       LYS  24  -0.264  -1.487   7.239
  201   3HZ   LYS  24          3HZ       LYS  24   0.809  -0.256   7.391
  202    H    MET  25           H        MET  25  -3.378  -0.505  -0.095
  203    HA   MET  25           HA       MET  25  -5.575   1.475   0.300
  204   1HB   MET  25          2HB       MET  25  -4.342   1.756  -1.830
  205   2HB   MET  25          1HB       MET  25  -4.845   0.106  -2.223
  206   1HG   MET  25          2HG       MET  25  -7.229   0.794  -2.096
  207   2HG   MET  25          1HG       MET  25  -6.731   2.399  -1.566
  208   1HE   MET  25          1HE       MET  25  -7.237  -0.059  -4.433
  209   2HE   MET  25          2HE       MET  25  -6.554   0.767  -5.849
  210   3HE   MET  25          3HE       MET  25  -5.473   0.097  -4.612
  211    H    PHE  26           H        PHE  26  -7.577   0.702   0.624
  212    HA   PHE  26           HA       PHE  26  -8.188  -2.198   0.414
  213   1HB   PHE  26          1HB       PHE  26  -9.388  -1.917   2.614
  214   2HB   PHE  26          2HB       PHE  26  -7.634  -1.891   2.701
  215    HD1  PHE  26           HD1      PHE  26  -6.393   0.319   3.007
  216    HD2  PHE  26           HD2      PHE  26 -10.679   0.022   3.370
  217    HE1  PHE  26           HE1      PHE  26  -6.455   2.421   4.303
  218    HE2  PHE  26           HE2      PHE  26 -10.675   1.900   4.958
  219    HZ   PHE  26           HZ       PHE  26  -8.559   3.141   5.412
  220    H    ILE  27           H        ILE  27 -10.630  -2.505   0.490
  221    HA   ILE  27           HA       ILE  27 -11.825  -0.582  -1.359
  222    HB   ILE  27           HB       ILE  27 -13.066  -2.946   0.083
  223   1HG1  ILE  27          1HG1      ILE  27 -11.905  -2.684  -2.729
  224   2HG1  ILE  27          2HG1      ILE  27 -11.201  -3.569  -1.371
  225   1HG2  ILE  27          2HG2      ILE  27 -14.752  -1.268  -0.749
  226   2HG2  ILE  27          1HG2      ILE  27 -14.044  -1.402  -2.368
  227   3HG2  ILE  27          3HG2      ILE  27 -14.858  -2.786  -1.614
  228   1HD1  ILE  27          2HD1      ILE  27 -13.168  -5.093  -1.336
  229   2HD1  ILE  27          1HD1      ILE  27 -13.764  -4.302  -2.818
  230   3HD1  ILE  27          3HD1      ILE  27 -12.220  -5.158  -2.832
  231    NH1  ARG  28           NH2      ARG  28 -15.259   7.415  -1.920
  232    NH2  ARG  28           NH1      ARG  28 -13.147   6.735  -2.608
  233    H    ARG  28           H        ARG  28 -13.481   0.893  -0.867
  234    HA   ARG  28           HA       ARG  28 -13.211   2.141   1.666
  235   1HB   ARG  28          2HB       ARG  28 -13.915   3.092  -0.610
  236   2HB   ARG  28          1HB       ARG  28 -15.545   2.523  -0.285
  237   1HG   ARG  28          2HG       ARG  28 -15.690   3.968   1.699
  238   2HG   ARG  28          1HG       ARG  28 -13.989   4.434   1.528
  239   1HD   ARG  28          2HD       ARG  28 -16.182   5.026  -0.506
  240   2HD   ARG  28          1HD       ARG  28 -15.497   6.180   0.661
  241    HE   ARG  28           HE       ARG  28 -13.342   5.084  -0.814
  242   1HH1  ARG  28          2HH2      ARG  28 -16.040   7.305  -1.291
  243   2HH1  ARG  28          1HH2      ARG  28 -15.258   8.171  -2.588
  244   1HH2  ARG  28          2HH1      ARG  28 -12.365   6.086  -2.507
  245   2HH2  ARG  28          1HH1      ARG  28 -13.081   7.472  -3.293
  246    H    THR  29           H        THR  29 -15.923   0.317   0.321
  247    HA   THR  29           HA       THR  29 -17.465   0.272   2.775
  248    HB   THR  29           HB       THR  29 -18.678  -1.558   1.394
  249    HG1  THR  29           HG1      THR  29 -18.011  -1.620  -0.789
  250   1HG2  THR  29          3HG2      THR  29 -19.423   0.811   1.423
  251   2HG2  THR  29          1HG2      THR  29 -18.281   1.194   0.117
  252   3HG2  THR  29          2HG2      THR  29 -19.638   0.089  -0.182
  253    H    HIS  30           H        HIS  30 -15.763  -2.208   0.919
  254    HA   HIS  30           HA       HIS  30 -15.767  -4.093   3.213
  255   1HB   HIS  30          1HB       HIS  30 -14.678  -4.428   0.395
  256   2HB   HIS  30          2HB       HIS  30 -14.807  -5.686   1.625
  257    HD1  HIS  30           HD1      HIS  30 -17.391  -6.230   2.414
  258    HD2  HIS  30           HD2      HIS  30 -16.955  -3.995  -1.106
  259    HE1  HIS  30           HE1      HIS  30 -19.628  -6.263   1.211
  260    NH1  ARG  31           NH2      ARG  31 -13.496   2.367   5.238
  261    NH2  ARG  31           NH1      ARG  31 -12.188   3.048   6.987
  262    H    ARG  31           H        ARG  31 -14.509  -2.107   4.177
  263    HA   ARG  31           HA       ARG  31 -11.763  -1.830   3.596
  264   1HB   ARG  31          2HB       ARG  31 -11.713  -0.616   5.753
  265   2HB   ARG  31          1HB       ARG  31 -13.058  -0.178   4.701
  266   1HG   ARG  31          1HG       ARG  31 -14.401  -1.965   6.206
  267   2HG   ARG  31          2HG       ARG  31 -13.103  -1.608   7.349
  268   1HD   ARG  31          2HD       ARG  31 -15.024   0.372   6.020
  269   2HD   ARG  31          1HD       ARG  31 -15.042  -0.143   7.700
  270    HE   ARG  31           HE       ARG  31 -13.081   1.061   8.178
  271   1HH1  ARG  31          2HH2      ARG  31 -14.146   1.738   4.776
  272   2HH1  ARG  31          1HH2      ARG  31 -13.123   3.153   4.716
  273   1HH2  ARG  31          1HH1      ARG  31 -11.829   2.949   7.925
  274   2HH2  ARG  31          2HH1      ARG  31 -11.877   3.806   6.389
  275    H    GLU  32           H        GLU  32 -13.311  -4.387   5.403
  276    HA   GLU  32           HA       GLU  32 -10.832  -5.237   6.684
  277   1HB   GLU  32          1HB       GLU  32 -13.519  -6.638   6.278
  278   2HB   GLU  32          2HB       GLU  32 -12.206  -7.154   7.340
  279   1HG   GLU  32          2HG       GLU  32 -12.374  -4.976   8.570
  280   2HG   GLU  32          1HG       GLU  32 -13.805  -4.565   7.613
  281    OH   TYR  33           OH       TYR  33  -8.435  -8.986  -2.913
  282    H    TYR  33           H        TYR  33 -10.422  -4.818   3.936
  283    HA   TYR  33           HA       TYR  33  -9.304  -7.360   3.135
  284   1HB   TYR  33          1HB       TYR  33 -11.557  -7.686   2.246
  285   2HB   TYR  33          2HB       TYR  33 -11.537  -6.079   1.517
  286    HD1  TYR  33           HD1      TYR  33  -9.825  -9.415   1.393
  287    HD2  TYR  33           HD2      TYR  33 -10.648  -5.715  -0.651
  288    HE1  TYR  33           HE1      TYR  33  -8.734 -10.297  -0.658
  289    HE2  TYR  33           HE2      TYR  33  -9.589  -6.606  -2.703
  290    HH   TYR  33           HH       TYR  33  -8.394  -8.348  -3.627
  291    H    ILE  34           H        ILE  34  -7.355  -6.830   2.299
  292    HA   ILE  34           HA       ILE  34  -6.738  -4.042   1.593
  293    HB   ILE  34           HB       ILE  34  -5.016  -6.558   1.517
  294   1HG1  ILE  34          2HG1      ILE  34  -5.676  -6.197   3.807
  295   2HG1  ILE  34          1HG1      ILE  34  -3.992  -5.740   3.591
  296   1HG2  ILE  34          2HG2      ILE  34  -4.272  -3.594   1.357
  297   2HG2  ILE  34          3HG2      ILE  34  -3.135  -4.955   1.478
  298   3HG2  ILE  34          1HG2      ILE  34  -4.151  -4.777   0.051
  299   1HD1  ILE  34          3HD1      ILE  34  -4.663  -3.325   3.560
  300   2HD1  ILE  34          1HD1      ILE  34  -6.353  -3.820   3.832
  301   3HD1  ILE  34          2HD1      ILE  34  -5.119  -4.159   5.050
  302    H    SER  35           H        SER  35  -6.654  -3.288  -0.474
  303    HA   SER  35           HA       SER  35  -7.506  -5.033  -2.686
  304   1HB   SER  35          2HB       SER  35  -7.065  -2.011  -2.488
  305   2HB   SER  35          1HB       SER  35  -7.806  -2.900  -3.812
  306    HG   SER  35           HG       SER  35  -9.294  -3.689  -2.067
  307    H    GLU  36           H        GLU  36  -4.894  -2.711  -1.802
  308    HA   GLU  36           HA       GLU  36  -2.914  -4.117  -3.424
  309   1HB   GLU  36          2HB       GLU  36  -4.371  -2.647  -5.043
  310   2HB   GLU  36          1HB       GLU  36  -3.702  -1.275  -4.155
  311   1HG   GLU  36          1HG       GLU  36  -1.364  -2.262  -4.902
  312   2HG   GLU  36          2HG       GLU  36  -2.326  -3.207  -6.034
  313    NH1  ARG  37           NH2      ARG  37   0.573  -5.397   3.791
  314    NH2  ARG  37           NH1      ARG  37  -1.353  -4.544   4.674
  315    H    ARG  37           H        ARG  37  -0.749  -2.929  -3.142
  316    HA   ARG  37           HA       ARG  37  -0.715  -0.777  -1.113
  317   1HB   ARG  37          2HB       ARG  37   0.803  -3.419  -1.106
  318   2HB   ARG  37          1HB       ARG  37   1.503  -1.944  -0.398
  319   1HG   ARG  37          1HG       ARG  37   0.082  -1.773   1.282
  320   2HG   ARG  37          2HG       ARG  37  -1.240  -2.575   0.426
  321   1HD   ARG  37          2HD       ARG  37   0.041  -4.762   0.659
  322   2HD   ARG  37          1HD       ARG  37   1.147  -3.869   1.734
  323    HE   ARG  37           HE       ARG  37  -1.706  -3.615   2.379
  324   1HH1  ARG  37          2HH2      ARG  37   1.238  -5.517   3.047
  325   2HH1  ARG  37          1HH2      ARG  37   0.798  -5.668   4.753
  326   1HH2  ARG  37          2HH1      ARG  37  -2.191  -3.989   4.632
  327   2HH2  ARG  37          1HH1      ARG  37  -0.965  -4.825   5.581
  328    H    GLY  38           H        GLY  38   1.449   0.350  -1.219
  329   1HA   GLY  38          1HA       GLY  38   3.132  -0.168  -3.452
  330   2HA   GLY  38          2HA       GLY  38   1.947   1.017  -3.993
  331    H    CYS  39           H        CYS  39   3.944   2.147  -4.363
  332    HA   CYS  39           HA       CYS  39   5.368   3.323  -2.062
  333   1HB   CYS  39          2HB       CYS  39   7.172   2.791  -3.285
  334   2HB   CYS  39          1HB       CYS  39   6.165   2.065  -4.494
  335    H    GLY  40           H        GLY  40   5.626   5.681  -1.962
  336   1HA   GLY  40          1HA       GLY  40   4.858   7.776  -2.017
  337   2HA   GLY  40          2HA       GLY  40   4.850   7.641  -3.736
  338    H    CYS  41           H        CYS  41   3.146   7.412  -1.085
  339    HA   CYS  41           HA       CYS  41   0.611   6.385  -1.474
  340   1HB   CYS  41          1HB       CYS  41   1.516   7.240   0.663
  341   2HB   CYS  41          2HB       CYS  41   1.112   8.883   0.150
  342    HA   PRO  42           HA       PRO  42  -1.126   9.477  -4.348
  343   1HB   PRO  42          1HB       PRO  42  -2.582   7.864  -5.945
  344   2HB   PRO  42          2HB       PRO  42  -0.800   7.838  -6.000
  345   1HG   PRO  42          1HG       PRO  42  -2.653   5.964  -4.484
  346   2HG   PRO  42          2HG       PRO  42  -1.298   5.512  -5.557
  347   1HD   PRO  42          2HD       PRO  42  -1.109   5.724  -2.800
  348   2HD   PRO  42          1HD       PRO  42   0.278   6.000  -3.907
  349    H    THR  43           H        THR  43  -3.509   9.880  -4.983
  350    HA   THR  43           HA       THR  43  -5.112  10.014  -2.628
  351    HB   THR  43           HB       THR  43  -6.193  10.290  -5.439
  352    HG1  THR  43           HG1      THR  43  -4.382  12.064  -4.151
  353   1HG2  THR  43          2HG2      THR  43  -6.515  11.973  -2.906
  354   2HG2  THR  43          1HG2      THR  43  -7.278  12.304  -4.473
  355   3HG2  THR  43          3HG2      THR  43  -7.712  10.841  -3.578
  356    H    ALA  44           H        ALA  44  -7.191   8.997  -2.295
  357    HA   ALA  44           HA       ALA  44  -7.255   6.173  -3.065
  358   1HB   ALA  44          2HB       ALA  44  -7.827   6.895  -0.767
  359   2HB   ALA  44          3HB       ALA  44  -9.187   7.848  -1.403
  360   3HB   ALA  44          1HB       ALA  44  -9.184   6.082  -1.579
  361    H    MET  45           H        MET  45  -8.259   5.410  -4.846
  362    HA   MET  45           HA       MET  45 -10.003   7.105  -6.449
  363   1HB   MET  45          2HB       MET  45  -9.194   4.169  -6.696
  364   2HB   MET  45          1HB       MET  45 -10.038   5.138  -7.914
  365   1HG   MET  45          2HG       MET  45  -7.863   5.243  -8.683
  366   2HG   MET  45          1HG       MET  45  -7.975   6.732  -7.752
  367   1HE   MET  45          3HE       MET  45  -7.223   2.888  -6.992
  368   2HE   MET  45          2HE       MET  45  -6.205   3.396  -8.363
  369   3HE   MET  45          1HE       MET  45  -5.456   3.001  -6.801
  370    CH2  TRP  46           CH2      TRP  46 -19.592   4.659  -8.388
  371    H    TRP  46           H        TRP  46 -12.080   5.803  -7.288
  372    HA   TRP  46           HA       TRP  46 -13.682   5.179  -4.869
  373   1HB   TRP  46          1HB       TRP  46 -14.441   6.998  -6.465
  374   2HB   TRP  46          2HB       TRP  46 -14.511   5.783  -7.706
  375    HD1  TRP  46           HD1      TRP  46 -16.043   5.926  -4.110
  376    HE1  TRP  46           HE1      TRP  46 -18.548   5.290  -4.301
  377    HE3  TRP  46           HE3      TRP  46 -16.330   5.440  -9.120
  378    HZ2  TRP  46           HZ2      TRP  46 -20.414   4.636  -6.387
  379    HZ3  TRP  46           HZ3      TRP  46 -18.495   4.798 -10.243
  380    HH2  TRP  46           HH2      TRP  46 -20.525   4.395  -8.866
  381    HA   PRO  47           HA       PRO  47 -15.002   3.797  -3.962
  382   1HB   PRO  47          2HB       PRO  47 -16.262   1.592  -3.236
  383   2HB   PRO  47          1HB       PRO  47 -16.790   2.458  -4.705
  384   1HG   PRO  47          2HG       PRO  47 -14.996   0.013  -4.564
  385   2HG   PRO  47          1HG       PRO  47 -16.428   0.267  -5.598
  386   1HD   PRO  47          2HD       PRO  47 -13.786   0.767  -6.389
  387   2HD   PRO  47          1HD       PRO  47 -15.211   1.570  -7.099
  388    OH   TYR  48           OH       TYR  48 -10.822  -1.779  -6.966
  389    H    TYR  48           H        TYR  48 -12.358   3.835  -3.704
  390    HA   TYR  48           HA       TYR  48 -11.600   1.631  -1.827
  391   1HB   TYR  48          1HB       TYR  48  -9.859   3.315  -3.670
  392   2HB   TYR  48          2HB       TYR  48  -9.293   2.174  -2.464
  393    HD1  TYR  48           HD1      TYR  48  -9.733  -0.305  -2.808
  394    HD2  TYR  48           HD2      TYR  48 -10.829   2.614  -5.783
  395    HE1  TYR  48           HE1      TYR  48 -10.100  -2.117  -4.465
  396    HE2  TYR  48           HE2      TYR  48 -11.152   0.815  -7.440
  397    HH   TYR  48           HH       TYR  48 -11.100  -1.461  -7.828
  398    H    GLN  49           H        GLN  49 -10.035   2.251  -0.253
  399    HA   GLN  49           HA       GLN  49  -9.837   5.131   0.362
  400   1HB   GLN  49          2HB       GLN  49 -11.568   3.976   1.919
  401   2HB   GLN  49          1HB       GLN  49 -10.132   3.104   2.519
  402   1HG   GLN  49          1HG       GLN  49  -9.034   5.251   3.058
  403   2HG   GLN  49          2HG       GLN  49 -10.472   6.126   2.496
  404   1HE2  GLN  49          2HE2      GLN  49 -10.463   5.737   6.263
  405   2HE2  GLN  49          1HE2      GLN  49  -9.245   6.275   5.127
  406    H    THR  50           H        THR  50  -7.864   5.549   1.099
  407    HA   THR  50           HA       THR  50  -5.765   3.428   1.105
  408    HB   THR  50           HB       THR  50  -5.349   6.237   0.077
  409    HG1  THR  50           HG1      THR  50  -5.576   5.295  -2.028
  410   1HG2  THR  50          1HG2      THR  50  -3.829   3.656  -0.371
  411   2HG2  THR  50          2HG2      THR  50  -3.470   5.196  -1.182
  412   3HG2  THR  50          3HG2      THR  50  -3.281   5.068   0.569
  413    H    GLU  51           H        GLU  51  -3.984   3.843   2.390
  414    HA   GLU  51           HA       GLU  51  -3.972   6.218   4.116
  415   1HB   GLU  51          1HB       GLU  51  -3.744   5.051   6.206
  416   2HB   GLU  51          2HB       GLU  51  -5.288   4.647   5.438
  417   1HG   GLU  51          2HG       GLU  51  -4.092   2.627   4.475
  418   2HG   GLU  51          1HG       GLU  51  -2.778   2.948   5.630
  419    H    CYS  52           H        CYS  52  -1.919   6.899   4.490
  420    HA   CYS  52           HA       CYS  52   0.183   5.564   2.977
  421   1HB   CYS  52          1HB       CYS  52   0.356   8.156   4.488
  422   2HB   CYS  52          2HB       CYS  52   1.272   7.639   3.072
  423    H    CYS  53           H        CYS  53   2.442   5.700   3.973
  424    HA   CYS  53           HA       CYS  53   2.751   6.044   6.832
  425   1HB   CYS  53          1HB       CYS  53   3.641   3.861   7.346
  426   2HB   CYS  53          2HB       CYS  53   1.984   3.681   6.755
  427    H    LYS  54           H        LYS  54   5.237   5.733   7.326
  428    HA   LYS  54           HA       LYS  54   6.907   6.186   4.936
  429   1HB   LYS  54          2HB       LYS  54   8.174   7.695   6.569
  430   2HB   LYS  54          1HB       LYS  54   6.760   8.368   5.751
  431   1HG   LYS  54          1HG       LYS  54   5.416   8.096   7.799
  432   2HG   LYS  54          2HG       LYS  54   6.740   7.214   8.581
  433   1HD   LYS  54          2HD       LYS  54   6.677   9.471   9.427
  434   2HD   LYS  54          1HD       LYS  54   8.160   9.245   8.487
  435   1HE   LYS  54          1HE       LYS  54   7.140  10.435   6.565
  436   2HE   LYS  54          2HE       LYS  54   5.606  10.575   7.443
  437   1HZ   LYS  54          2HZ       LYS  54   8.167  11.767   8.243
  438   2HZ   LYS  54          1HZ       LYS  54   6.901  12.561   7.550
  439   3HZ   LYS  54          3HZ       LYS  54   6.740  11.917   9.058
  440    H    GLY  55           H        GLY  55   8.894   5.199   5.093
  441   1HA   GLY  55          1HA       GLY  55  10.654   4.262   6.523
  442   2HA   GLY  55          2HA       GLY  55   9.412   3.466   7.491
  443    H    ASP  56           H        ASP  56  11.681   2.314   5.857
  444    HA   ASP  56           HA       ASP  56  10.659   1.055   3.542
  445   1HB   ASP  56          2HB       ASP  56  12.866   0.347   5.517
  446   2HB   ASP  56          1HB       ASP  56  12.459  -0.687   4.146
  447    NH1  ARG  57           NH1      ARG  57  11.349  -7.520   6.337
  448    NH2  ARG  57           NH2      ARG  57   9.174  -8.234   5.995
  449    H    ARG  57           H        ARG  57   9.513  -0.745   3.221
  450    HA   ARG  57           HA       ARG  57   7.668  -2.004   3.557
  451   1HB   ARG  57          1HB       ARG  57   8.094  -4.045   4.759
  452   2HB   ARG  57          2HB       ARG  57   9.489  -3.581   3.786
  453   1HG   ARG  57          2HG       ARG  57  10.596  -2.721   5.887
  454   2HG   ARG  57          1HG       ARG  57   9.229  -3.360   6.816
  455   1HD   ARG  57          2HD       ARG  57  11.226  -4.872   5.069
  456   2HD   ARG  57          1HD       ARG  57  11.158  -4.842   6.843
  457    HE   ARG  57           HE       ARG  57   8.677  -5.816   5.714
  458   1HH1  ARG  57          1HH1      ARG  57  12.019  -6.768   6.383
  459   2HH1  ARG  57          2HH1      ARG  57  11.660  -8.471   6.469
  460   1HH2  ARG  57          1HH2      ARG  57   8.223  -8.002   5.728
  461   2HH2  ARG  57          2HH2      ARG  57   9.438  -9.198   6.128
  462    H    CYS  58           H        CYS  58   7.552   0.525   5.169
  463    HA   CYS  58           HA       CYS  58   6.383  -0.079   7.671
  464   1HB   CYS  58          1HB       CYS  58   5.500   2.154   7.583
  465   2HB   CYS  58          2HB       CYS  58   7.158   2.139   6.997
  466    H    ASN  59           H        ASN  59   5.075  -0.289   4.404
  467    HA   ASN  59           HA       ASN  59   2.301  -0.074   5.289
  468   1HB   ASN  59          2HB       ASN  59   1.758  -0.352   2.947
  469   2HB   ASN  59          1HB       ASN  59   2.930   0.941   3.172
  470   1HD2  ASN  59          2HD2      ASN  59   3.665  -1.134   0.122
  471   2HD2  ASN  59          1HD2      ASN  59   2.624   0.125   0.741
  472    H    LYS  60           H        LYS  60   3.004  -1.869   6.817
  473    HA   LYS  60           HA       LYS  60   2.876  -4.612   5.791
  474   1HB   LYS  60          2HB       LYS  60   2.747  -3.588   8.658
  475   2HB   LYS  60          1HB       LYS  60   3.009  -5.257   8.124
  476   1HG   LYS  60          2HG       LYS  60   5.117  -4.420   6.931
  477   2HG   LYS  60          1HG       LYS  60   4.862  -2.878   7.770
  478   1HD   LYS  60          2HD       LYS  60   4.980  -4.023   9.962
  479   2HD   LYS  60          1HD       LYS  60   5.155  -5.586   9.151
  480   1HE   LYS  60          2HE       LYS  60   7.338  -4.816   9.920
  481   2HE   LYS  60          1HE       LYS  60   7.307  -4.845   8.148
  482   1HZ   LYS  60          3HZ       LYS  60   6.899  -2.444   9.796
  483   2HZ   LYS  60          2HZ       LYS  60   8.308  -2.858   9.044
  484   3HZ   LYS  60          1HZ       LYS  60   6.973  -2.512   8.146
   
  Start of MODEL           6
 Raw file had  484 H/Q atoms
  Start of MODEL    6
    1    NH1  ARG   1           NH1      ARG   1  12.145   5.299   5.030
    2    NH2  ARG   1           NH2      ARG   1  10.817   7.191   4.941
    3   1H    ARG   1          3H        ARG   1  13.499   3.846  -0.833
    4   2H    ARG   1          1H        ARG   1  14.085   4.737   0.426
    5   3H    ARG   1          2H        ARG   1  14.517   3.144   0.255
    6    HA   ARG   1           HA       ARG   1  12.902   3.306   1.959
    7   1HB   ARG   1          1HB       ARG   1  11.853   5.419   1.253
    8   2HB   ARG   1          2HB       ARG   1  11.267   4.640  -0.224
    9   1HG   ARG   1          1HG       ARG   1   9.410   4.802   1.252
   10   2HG   ARG   1          2HG       ARG   1   9.848   3.109   1.180
   11   1HD   ARG   1          2HD       ARG   1   9.401   3.543   3.421
   12   2HD   ARG   1          1HD       ARG   1  11.162   3.495   3.376
   13    HE   ARG   1           HE       ARG   1   9.516   6.007   3.281
   14   1HH1  ARG   1          1HH1      ARG   1  12.385   4.349   4.761
   15   2HH1  ARG   1          2HH1      ARG   1  12.738   5.750   5.710
   16   1HH2  ARG   1          2HH2      ARG   1   9.997   7.656   4.558
   17   2HH2  ARG   1          1HH2      ARG   1  11.383   7.658   5.633
   18    H    ILE   2           H        ILE   2  12.365   1.128   2.163
   19    HA   ILE   2           HA       ILE   2  11.517  -0.442  -0.198
   20    HB   ILE   2           HB       ILE   2  11.704  -1.174   2.769
   21   1HG1  ILE   2          1HG1      ILE   2  13.938  -0.671   1.982
   22   2HG1  ILE   2          2HG1      ILE   2  13.750  -2.410   2.162
   23   1HG2  ILE   2          1HG2      ILE   2  11.229  -2.866   0.274
   24   2HG2  ILE   2          2HG2      ILE   2  11.698  -3.535   1.852
   25   3HG2  ILE   2          3HG2      ILE   2  10.167  -2.680   1.677
   26   1HD1  ILE   2          2HD1      ILE   2  13.384  -2.586  -0.317
   27   2HD1  ILE   2          1HD1      ILE   2  13.685  -0.832  -0.438
   28   3HD1  ILE   2          3HD1      ILE   2  14.965  -1.915   0.133
   29    H    CYS   3           H        CYS   3   9.345  -1.071  -0.575
   30    HA   CYS   3           HA       CYS   3   7.326  -0.390   1.518
   31   1HB   CYS   3          2HB       CYS   3   7.082   0.302  -1.429
   32   2HB   CYS   3          1HB       CYS   3   5.794   0.412  -0.233
   33    OH   TYR   4           OH       TYR   4   7.035  -7.176   5.690
   34    H    TYR   4           H        TYR   4   5.589  -1.848   1.513
   35    HA   TYR   4           HA       TYR   4   6.112  -4.412   0.208
   36   1HB   TYR   4          1HB       TYR   4   3.982  -3.314   2.048
   37   2HB   TYR   4          2HB       TYR   4   3.715  -4.825   1.204
   38    HD1  TYR   4           HD2      TYR   4   5.468  -6.687   1.458
   39    HD2  TYR   4           HD1      TYR   4   5.200  -3.317   4.128
   40    HE1  TYR   4           HE2      TYR   4   6.510  -8.030   3.262
   41    HE2  TYR   4           HE1      TYR   4   6.212  -4.662   5.930
   42    HH   TYR   4           HH       TYR   4   6.959  -6.769   6.556
   43    H    SER   5           H        SER   5   4.710  -5.375  -1.311
   44    HA   SER   5           HA       SER   5   3.147  -3.440  -2.995
   45   1HB   SER   5          1HB       SER   5   4.747  -5.808  -4.021
   46   2HB   SER   5          2HB       SER   5   4.093  -4.424  -4.917
   47    HG   SER   5           HG       SER   5   5.547  -3.175  -3.406
   48    H    HIS   6           H        HIS   6   3.528  -6.896  -2.064
   49    HA   HIS   6           HA       HIS   6   1.373  -7.895  -3.522
   50   1HB   HIS   6          1HB       HIS   6   1.429  -9.806  -2.113
   51   2HB   HIS   6          2HB       HIS   6   3.085  -9.272  -2.313
   52    HD1  HIS   6           HD1      HIS   6   3.804  -7.516  -0.080
   53    HD2  HIS   6           HD2      HIS   6   0.885 -10.496   0.416
   54    HE1  HIS   6           HE1      HIS   6   3.632  -8.037   2.413
   55    H    LYS   7           H        LYS   7  -0.801  -8.160  -3.244
   56    HA   LYS   7           HA       LYS   7  -2.162  -6.490  -1.257
   57   1HB   LYS   7          1HB       LYS   7  -4.126  -6.994  -2.485
   58   2HB   LYS   7          2HB       LYS   7  -2.821  -6.705  -3.635
   59   1HG   LYS   7          1HG       LYS   7  -2.644  -9.271  -3.836
   60   2HG   LYS   7          2HG       LYS   7  -4.159  -9.332  -2.914
   61   1HD   LYS   7          2HD       LYS   7  -5.158  -7.714  -4.610
   62   2HD   LYS   7          1HD       LYS   7  -3.669  -7.856  -5.545
   63   1HE   LYS   7          2HE       LYS   7  -5.266  -9.308  -6.553
   64   2HE   LYS   7          1HE       LYS   7  -4.118 -10.364  -5.714
   65   1HZ   LYS   7          2HZ       LYS   7  -6.733  -9.506  -4.655
   66   2HZ   LYS   7          1HZ       LYS   7  -6.426 -10.964  -5.366
   67   3HZ   LYS   7          3HZ       LYS   7  -5.700 -10.570  -3.944
   68    H    ALA   8           H        ALA   8  -4.128  -7.686  -0.069
   69    HA   ALA   8           HA       ALA   8  -2.807  -9.650   1.651
   70   1HB   ALA   8          3HB       ALA   8  -5.627  -8.490   1.670
   71   2HB   ALA   8          1HB       ALA   8  -4.929  -9.507   2.950
   72   3HB   ALA   8          2HB       ALA   8  -4.226  -7.930   2.620
   73    H    SER   9           H        SER   9  -3.010 -10.769  -0.925
   74    HA   SER   9           HA       SER   9  -4.156 -13.293  -0.265
   75   1HB   SER   9          2HB       SER   9  -5.777 -13.251  -2.372
   76   2HB   SER   9          1HB       SER   9  -6.311 -12.630  -0.811
   77    HG   SER   9           HG       SER   9  -5.825 -10.548  -1.478
   78    H    LEU  10           H        LEU  10  -1.605 -12.289  -0.955
   79    HA   LEU  10           HA       LEU  10  -0.975 -14.065  -3.172
   80   1HB   LEU  10          2HB       LEU  10  -0.340 -11.081  -3.150
   81   2HB   LEU  10          1HB       LEU  10   0.585 -12.221  -4.120
   82    HG   LEU  10           HG       LEU  10  -2.380 -11.638  -4.460
   83   1HD1  LEU  10          2HD1      LEU  10  -0.811  -9.799  -5.144
   84   2HD1  LEU  10          1HD1      LEU  10   0.033 -10.946  -6.197
   85   3HD1  LEU  10          3HD1      LEU  10  -1.659 -10.522  -6.524
   86   1HD2  LEU  10          1HD2      LEU  10  -0.480 -13.417  -6.067
   87   2HD2  LEU  10          3HD2      LEU  10  -1.919 -13.957  -5.176
   88   3HD2  LEU  10          2HD2      LEU  10  -2.103 -12.928  -6.595
   89    HA   PRO  11           HA       PRO  11   2.504 -14.794  -0.520
   90   1HB   PRO  11          2HB       PRO  11   4.304 -14.489  -2.929
   91   2HB   PRO  11          1HB       PRO  11   4.283 -15.808  -1.723
   92   1HG   PRO  11          1HG       PRO  11   3.166 -16.195  -4.163
   93   2HG   PRO  11          2HG       PRO  11   2.291 -16.738  -2.698
   94   1HD   PRO  11          1HD       PRO  11   1.870 -14.184  -4.275
   95   2HD   PRO  11          2HD       PRO  11   0.665 -15.370  -3.691
   96    NH1  ARG  12           NH1      ARG  12   8.888  -9.241  -0.110
   97    NH2  ARG  12           NH2      ARG  12  10.666  -8.749   1.252
   98    H    ARG  12           H        ARG  12   4.474 -13.708   0.395
   99    HA   ARG  12           HA       ARG  12   4.135 -10.885   0.410
  100   1HB   ARG  12          1HB       ARG  12   4.894 -11.519   2.316
  101   2HB   ARG  12          2HB       ARG  12   5.960 -12.821   1.749
  102   1HG   ARG  12          2HG       ARG  12   6.694  -9.887   1.384
  103   2HG   ARG  12          1HG       ARG  12   6.883 -10.678   2.942
  104   1HD   ARG  12          2HD       ARG  12   8.333 -12.387   2.074
  105   2HD   ARG  12          1HD       ARG  12   8.189 -11.801   0.425
  106    HE   ARG  12           HE       ARG  12   9.893 -10.798   2.529
  107   1HH1  ARG  12          1HH1      ARG  12   8.135  -9.852  -0.386
  108   2HH1  ARG  12          2HH1      ARG  12   9.113  -8.403  -0.638
  109   1HH2  ARG  12          2HH2      ARG  12  11.319  -9.004   1.978
  110   2HH2  ARG  12          1HH2      ARG  12  10.843  -7.953   0.643
  111    H    ALA  13           H        ALA  13   5.036  -9.308  -0.555
  112    HA   ALA  13           HA       ALA  13   7.346  -9.526  -2.346
  113   1HB   ALA  13          3HB       ALA  13   5.379 -10.245  -3.772
  114   2HB   ALA  13          2HB       ALA  13   4.719  -8.603  -3.566
  115   3HB   ALA  13          1HB       ALA  13   6.281  -8.832  -4.353
  116    H    THR  14           H        THR  14   8.336  -7.586  -2.590
  117    HA   THR  14           HA       THR  14   7.239  -5.104  -1.457
  118    HB   THR  14           HB       THR  14   9.623  -4.811  -0.484
  119    HG1  THR  14           HG1      THR  14  10.526  -6.604  -1.623
  120   1HG2  THR  14          3HG2      THR  14   7.803  -6.918   0.740
  121   2HG2  THR  14          1HG2      THR  14   9.242  -6.254   1.533
  122   3HG2  THR  14          2HG2      THR  14   7.913  -5.182   1.133
  123    H    LYS  15           H        LYS  15   8.529  -3.259  -2.154
  124    HA   LYS  15           HA       LYS  15  10.271  -3.681  -4.523
  125   1HB   LYS  15          1HB       LYS  15   9.109  -1.987  -5.784
  126   2HB   LYS  15          2HB       LYS  15   7.964  -3.264  -5.340
  127   1HG   LYS  15          1HG       LYS  15   7.261  -1.777  -3.367
  128   2HG   LYS  15          2HG       LYS  15   8.239  -0.498  -4.085
  129   1HD   LYS  15          1HD       LYS  15   5.848  -1.898  -5.376
  130   2HD   LYS  15          2HD       LYS  15   5.873  -0.269  -4.682
  131   1HE   LYS  15          1HE       LYS  15   7.651   0.339  -6.407
  132   2HE   LYS  15          2HE       LYS  15   7.366  -1.240  -7.160
  133   1HZ   LYS  15          3HZ       LYS  15   5.085  -0.613  -7.464
  134   2HZ   LYS  15          2HZ       LYS  15   5.355   0.860  -6.773
  135   3HZ   LYS  15          1HZ       LYS  15   6.093   0.467  -8.192
  136    H    THR  16           H        THR  16  11.662  -1.892  -4.936
  137    HA   THR  16           HA       THR  16  12.352  -0.293  -2.533
  138    HB   THR  16           HB       THR  16  13.946  -0.852  -5.073
  139    HG1  THR  16           HG1      THR  16  13.852  -2.191  -2.573
  140   1HG2  THR  16          1HG2      THR  16  14.788   0.160  -2.310
  141   2HG2  THR  16          2HG2      THR  16  15.881  -0.239  -3.649
  142   3HG2  THR  16          3HG2      THR  16  14.752   1.115  -3.809
  143    H    CYS  17           H        CYS  17  12.068   1.918  -2.592
  144    HA   CYS  17           HA       CYS  17  11.625   3.303  -5.196
  145   1HB   CYS  17          1HB       CYS  17   9.828   3.194  -2.747
  146   2HB   CYS  17          2HB       CYS  17   9.708   4.475  -3.957
  147    H    VAL  18           H        VAL  18  11.632   5.682  -4.894
  148    HA   VAL  18           HA       VAL  18  13.766   6.494  -3.022
  149    HB   VAL  18           HB       VAL  18  13.597   8.600  -4.334
  150   1HG1  VAL  18          3HG1      VAL  18  15.315   6.870  -4.772
  151   2HG1  VAL  18          1HG1      VAL  18  14.221   6.069  -5.920
  152   3HG1  VAL  18          2HG1      VAL  18  14.846   7.694  -6.268
  153   1HG2  VAL  18          2HG2      VAL  18  11.359   8.463  -5.324
  154   2HG2  VAL  18          1HG2      VAL  18  12.612   8.644  -6.546
  155   3HG2  VAL  18          3HG2      VAL  18  11.868   7.063  -6.305
  156    H    GLU  19           H        GLU  19  10.386   7.167  -3.801
  157    HA   GLU  19           HA       GLU  19   9.793   9.352  -2.292
  158   1HB   GLU  19          1HB       GLU  19   7.990   6.870  -2.399
  159   2HB   GLU  19          2HB       GLU  19   7.520   8.527  -2.048
  160   1HG   GLU  19          2HG       GLU  19   6.977   8.532  -4.254
  161   2HG   GLU  19          1HG       GLU  19   8.655   9.030  -4.392
  162    H    ASN  20           H        ASN  20   9.425   9.914  -0.214
  163    HA   ASN  20           HA       ASN  20  10.613   8.337   1.876
  164   1HB   ASN  20          2HB       ASN  20  10.070  10.150   3.296
  165   2HB   ASN  20          1HB       ASN  20  10.496  10.887   1.748
  166   1HD2  ASN  20          1HD2      ASN  20   7.207  12.236   3.275
  167   2HD2  ASN  20          2HD2      ASN  20   8.730  11.851   4.059
  168    H    THR  21           H        THR  21   7.404   8.283   0.467
  169    HA   THR  21           HA       THR  21   6.286   7.038   2.934
  170    HB   THR  21           HB       THR  21   4.121   7.925   1.683
  171    HG1  THR  21           HG1      THR  21   6.058   9.866   0.912
  172   1HG2  THR  21          2HG2      THR  21   6.009   9.708   3.282
  173   2HG2  THR  21          1HG2      THR  21   4.304  10.074   2.942
  174   3HG2  THR  21          3HG2      THR  21   4.726   8.657   3.916
  175    H    CYS  22           H        CYS  22   4.820   5.399   2.687
  176    HA   CYS  22           HA       CYS  22   4.676   3.997   0.082
  177   1HB   CYS  22          1HB       CYS  22   4.493   2.588   2.754
  178   2HB   CYS  22          2HB       CYS  22   4.614   1.909   1.153
  179    OH   TYR  23           OH       TYR  23   0.011   2.051  -5.482
  180    H    TYR  23           H        TYR  23   2.627   2.631   0.113
  181    HA   TYR  23           HA       TYR  23   0.518   3.678   1.919
  182   1HB   TYR  23          1HB       TYR  23  -1.014   4.127   0.153
  183   2HB   TYR  23          2HB       TYR  23   0.471   5.006  -0.111
  184    HD1  TYR  23           HD2      TYR  23  -1.662   2.187  -1.258
  185    HD2  TYR  23           HD1      TYR  23   1.853   4.515  -2.145
  186    HE1  TYR  23           HE2      TYR  23  -1.667   1.305  -3.562
  187    HE2  TYR  23           HE1      TYR  23   1.702   3.792  -4.518
  188    HH   TYR  23           HH       TYR  23  -0.673   1.396  -5.672
  189    H    LYS  24           H        LYS  24  -1.371   2.528   1.723
  190    HA   LYS  24           HA       LYS  24  -1.287  -0.077   0.391
  191   1HB   LYS  24          1HB       LYS  24  -2.126  -1.340   2.298
  192   2HB   LYS  24          2HB       LYS  24  -0.605  -0.543   2.734
  193   1HG   LYS  24          1HG       LYS  24  -1.948   1.261   3.863
  194   2HG   LYS  24          2HG       LYS  24  -3.403   0.292   3.527
  195   1HD   LYS  24          1HD       LYS  24  -2.799  -0.243   5.747
  196   2HD   LYS  24          2HD       LYS  24  -2.321  -1.640   4.772
  197   1HE   LYS  24          1HE       LYS  24   0.026  -0.901   4.821
  198   2HE   LYS  24          2HE       LYS  24  -0.436   0.613   5.634
  199   1HZ   LYS  24          3HZ       LYS  24  -1.235  -0.831   7.457
  200   2HZ   LYS  24          1HZ       LYS  24  -0.512  -2.118   6.704
  201   3HZ   LYS  24          2HZ       LYS  24   0.394  -0.858   7.209
  202    H    MET  25           H        MET  25  -2.968  -0.408  -0.727
  203    HA   MET  25           HA       MET  25  -5.241   1.495  -0.545
  204   1HB   MET  25          2HB       MET  25  -3.941   1.596  -2.638
  205   2HB   MET  25          1HB       MET  25  -4.364  -0.103  -2.882
  206   1HG   MET  25          2HG       MET  25  -6.749   0.452  -3.014
  207   2HG   MET  25          1HG       MET  25  -6.416   2.104  -2.502
  208   1HE   MET  25          3HE       MET  25  -6.785  -0.344  -5.392
  209   2HE   MET  25          1HE       MET  25  -5.913   0.432  -6.734
  210   3HE   MET  25          2HE       MET  25  -5.005  -0.294  -5.392
  211    H    PHE  26           H        PHE  26  -7.212   0.664  -0.107
  212    HA   PHE  26           HA       PHE  26  -7.699  -2.259  -0.165
  213   1HB   PHE  26          1HB       PHE  26  -8.880  -1.893   2.058
  214   2HB   PHE  26          2HB       PHE  26  -7.130  -1.753   2.120
  215    HD1  PHE  26           HD1      PHE  26  -5.998   0.447   2.358
  216    HD2  PHE  26           HD2      PHE  26 -10.301   0.228   2.235
  217    HE1  PHE  26           HE1      PHE  26  -6.170   2.700   3.322
  218    HE2  PHE  26           HE2      PHE  26 -10.441   2.350   3.461
  219    HZ   PHE  26           HZ       PHE  26  -8.355   3.576   4.077
  220    H    ILE  27           H        ILE  27 -10.089  -2.688  -0.012
  221    HA   ILE  27           HA       ILE  27 -11.492  -0.791  -1.752
  222    HB   ILE  27           HB       ILE  27 -12.246  -3.419  -0.451
  223   1HG1  ILE  27          2HG1      ILE  27 -12.102  -2.408  -3.342
  224   2HG1  ILE  27          1HG1      ILE  27 -10.865  -3.360  -2.524
  225   1HG2  ILE  27          1HG2      ILE  27 -14.292  -1.920  -0.367
  226   2HG2  ILE  27          2HG2      ILE  27 -14.126  -1.667  -2.114
  227   3HG2  ILE  27          3HG2      ILE  27 -14.481  -3.276  -1.462
  228   1HD1  ILE  27          2HD1      ILE  27 -12.610  -5.185  -2.204
  229   2HD1  ILE  27          1HD1      ILE  27 -13.658  -4.253  -3.304
  230   3HD1  ILE  27          3HD1      ILE  27 -12.100  -4.865  -3.878
  231    NH1  ARG  28           NH1      ARG  28 -11.909   6.681  -1.268
  232    NH2  ARG  28           NH2      ARG  28 -12.635   8.532  -0.103
  233    H    ARG  28           H        ARG  28 -12.492   0.897  -1.055
  234    HA   ARG  28           HA       ARG  28 -12.195   2.066   1.451
  235   1HB   ARG  28          1HB       ARG  28 -12.764   3.069  -0.776
  236   2HB   ARG  28          2HB       ARG  28 -14.410   2.495  -0.560
  237   1HG   ARG  28          1HG       ARG  28 -14.651   4.028   1.406
  238   2HG   ARG  28          2HG       ARG  28 -12.958   4.496   1.212
  239   1HD   ARG  28          2HD       ARG  28 -13.847   4.976  -1.344
  240   2HD   ARG  28          1HD       ARG  28 -15.348   5.195  -0.468
  241    HE   ARG  28           HE       ARG  28 -14.487   7.055   0.655
  242   1HH1  ARG  28          1HH1      ARG  28 -11.981   5.705  -1.539
  243   2HH1  ARG  28          2HH1      ARG  28 -11.136   7.209  -1.665
  244   1HH2  ARG  28          1HH2      ARG  28 -13.308   8.985   0.497
  245   2HH2  ARG  28          2HH2      ARG  28 -11.853   9.063  -0.460
  246    H    THR  29           H        THR  29 -15.103   0.454   0.177
  247    HA   THR  29           HA       THR  29 -16.425   0.482   2.808
  248    HB   THR  29           HB       THR  29 -18.258  -0.581   1.253
  249    HG1  THR  29           HG1      THR  29 -16.959  -1.042  -0.536
  250   1HG2  THR  29          3HG2      THR  29 -17.237   2.255   0.780
  251   2HG2  THR  29          1HG2      THR  29 -18.871   1.652   0.425
  252   3HG2  THR  29          2HG2      THR  29 -18.307   1.737   2.101
  253    H    HIS  30           H        HIS  30 -13.964  -1.304   2.175
  254    HA   HIS  30           HA       HIS  30 -14.866  -3.583   3.702
  255   1HB   HIS  30          1HB       HIS  30 -15.630  -4.274   1.445
  256   2HB   HIS  30          2HB       HIS  30 -14.018  -3.950   0.809
  257    HD1  HIS  30           HD1      HIS  30 -14.000  -5.769   4.081
  258    HD2  HIS  30           HD2      HIS  30 -13.997  -6.629  -0.026
  259    HE1  HIS  30           HE1      HIS  30 -13.383  -8.213   3.825
  260    NH1  ARG  31           NH1      ARG  31 -11.936   3.422   5.266
  261    NH2  ARG  31           NH2      ARG  31  -9.914   3.784   6.295
  262    H    ARG  31           H        ARG  31 -13.329  -1.732   4.461
  263    HA   ARG  31           HA       ARG  31 -10.760  -1.255   3.855
  264   1HB   ARG  31          1HB       ARG  31 -11.756  -1.645   6.707
  265   2HB   ARG  31          2HB       ARG  31 -10.437  -0.605   6.148
  266   1HG   ARG  31          1HG       ARG  31 -12.151   0.692   4.784
  267   2HG   ARG  31          2HG       ARG  31 -13.417  -0.232   5.610
  268   1HD   ARG  31          1HD       ARG  31 -13.281   1.735   6.867
  269   2HD   ARG  31          2HD       ARG  31 -12.434   0.523   7.820
  270    HE   ARG  31           HE       ARG  31 -10.464   1.691   7.567
  271   1HH1  ARG  31          2HH1      ARG  31 -12.761   2.860   5.109
  272   2HH1  ARG  31          1HH1      ARG  31 -11.742   4.227   4.681
  273   1HH2  ARG  31          1HH2      ARG  31  -9.195   3.528   6.956
  274   2HH2  ARG  31          2HH2      ARG  31  -9.781   4.575   5.671
  275    H    GLU  32           H        GLU  32 -11.851  -4.247   5.314
  276    HA   GLU  32           HA       GLU  32  -9.387  -5.065   6.379
  277   1HB   GLU  32          1HB       GLU  32 -11.663  -6.843   5.355
  278   2HB   GLU  32          2HB       GLU  32 -10.449  -7.259   6.553
  279   1HG   GLU  32          1HG       GLU  32 -12.376  -6.894   7.793
  280   2HG   GLU  32          2HG       GLU  32 -11.404  -5.443   8.065
  281    OH   TYR  33           OH       TYR  33  -7.953  -8.134  -3.859
  282    H    TYR  33           H        TYR  33 -10.584  -5.168   3.405
  283    HA   TYR  33           HA       TYR  33  -8.679  -7.208   2.313
  284   1HB   TYR  33          1HB       TYR  33 -10.938  -7.371   1.492
  285   2HB   TYR  33          2HB       TYR  33 -10.909  -5.686   0.949
  286    HD1  TYR  33           HD2      TYR  33  -9.041  -8.942   0.485
  287    HD2  TYR  33           HD1      TYR  33 -10.305  -5.220  -1.272
  288    HE1  TYR  33           HE2      TYR  33  -7.991  -9.594  -1.668
  289    HE2  TYR  33           HE1      TYR  33  -9.298  -5.887  -3.428
  290    HH   TYR  33           HH       TYR  33  -8.086  -7.482  -4.550
  291    H    ILE  34           H        ILE  34  -6.649  -6.344   2.330
  292    HA   ILE  34           HA       ILE  34  -6.103  -3.687   1.222
  293    HB   ILE  34           HB       ILE  34  -4.107  -5.916   1.770
  294   1HG1  ILE  34          2HG1      ILE  34  -5.219  -5.557   3.873
  295   2HG1  ILE  34          1HG1      ILE  34  -3.647  -4.768   3.915
  296   1HG2  ILE  34          3HG2      ILE  34  -3.834  -2.903   1.427
  297   2HG2  ILE  34          2HG2      ILE  34  -2.533  -3.998   1.942
  298   3HG2  ILE  34          1HG2      ILE  34  -3.248  -4.165   0.335
  299   1HD1  ILE  34          1HD1      ILE  34  -4.796  -2.558   3.473
  300   2HD1  ILE  34          3HD1      ILE  34  -6.357  -3.414   3.579
  301   3HD1  ILE  34          2HD1      ILE  34  -5.285  -3.348   4.979
  302    H    SER  35           H        SER  35  -6.182  -3.370  -0.847
  303    HA   SER  35           HA       SER  35  -6.631  -5.481  -2.819
  304   1HB   SER  35          2HB       SER  35  -6.659  -2.423  -2.925
  305   2HB   SER  35          1HB       SER  35  -7.193  -3.503  -4.199
  306    HG   SER  35           HG       SER  35  -8.251  -3.902  -1.619
  307    H    GLU  36           H        GLU  36  -4.309  -2.872  -2.144
  308    HA   GLU  36           HA       GLU  36  -2.227  -4.165  -3.757
  309   1HB   GLU  36          1HB       GLU  36  -3.691  -2.795  -5.388
  310   2HB   GLU  36          2HB       GLU  36  -3.222  -1.372  -4.448
  311   1HG   GLU  36          1HG       GLU  36  -0.788  -1.908  -5.087
  312   2HG   GLU  36          2HG       GLU  36  -1.450  -3.138  -6.171
  313    NH1  ARG  37           NH1      ARG  37   1.323  -5.297   3.527
  314    NH2  ARG  37           NH2      ARG  37   0.506  -6.951   2.103
  315    H    ARG  37           H        ARG  37  -0.122  -2.915  -3.417
  316    HA   ARG  37           HA       ARG  37  -0.224  -0.787  -1.384
  317   1HB   ARG  37          1HB       ARG  37   1.297  -3.420  -1.138
  318   2HB   ARG  37          2HB       ARG  37   1.893  -1.899  -0.445
  319   1HG   ARG  37          1HG       ARG  37   0.060  -1.556   0.871
  320   2HG   ARG  37          2HG       ARG  37  -0.823  -2.968   0.248
  321   1HD   ARG  37          1HD       ARG  37   1.855  -3.031   1.673
  322   2HD   ARG  37          2HD       ARG  37   0.300  -3.128   2.516
  323    HE   ARG  37           HE       ARG  37   0.492  -5.132   0.423
  324   1HH1  ARG  37          2HH1      ARG  37   1.671  -4.350   3.635
  325   2HH1  ARG  37          1HH1      ARG  37   1.222  -5.838   4.391
  326   1HH2  ARG  37          2HH2      ARG  37   0.238  -7.195   1.154
  327   2HH2  ARG  37          1HH2      ARG  37   0.639  -7.676   2.795
  328    H    GLY  38           H        GLY  38   1.710   0.535  -1.428
  329   1HA   GLY  38          2HA       GLY  38   3.692   0.055  -3.458
  330   2HA   GLY  38          1HA       GLY  38   2.454   1.125  -4.117
  331    H    CYS  39           H        CYS  39   4.179   2.668  -4.350
  332    HA   CYS  39           HA       CYS  39   5.357   3.875  -1.926
  333   1HB   CYS  39          1HB       CYS  39   6.178   3.917  -4.846
  334   2HB   CYS  39          2HB       CYS  39   7.065   4.591  -3.479
  335    H    GLY  40           H        GLY  40   5.526   6.165  -1.830
  336   1HA   GLY  40          1HA       GLY  40   4.797   8.307  -1.954
  337   2HA   GLY  40          2HA       GLY  40   4.824   8.087  -3.684
  338    H    CYS  41           H        CYS  41   3.032   7.303  -1.172
  339    HA   CYS  41           HA       CYS  41   0.580   6.386  -1.708
  340   1HB   CYS  41          1HB       CYS  41   1.380   7.049   0.538
  341   2HB   CYS  41          2HB       CYS  41   0.981   8.723   0.160
  342    HA   PRO  42           HA       PRO  42  -1.365   9.632  -4.231
  343   1HB   PRO  42          2HB       PRO  42  -2.574   8.098  -6.101
  344   2HB   PRO  42          1HB       PRO  42  -0.813   8.370  -6.107
  345   1HG   PRO  42          1HG       PRO  42  -2.347   5.988  -5.011
  346   2HG   PRO  42          2HG       PRO  42  -0.900   5.956  -6.058
  347   1HD   PRO  42          2HD       PRO  42  -0.872   5.716  -3.291
  348   2HD   PRO  42          1HD       PRO  42   0.515   6.349  -4.236
  349    H    THR  43           H        THR  43  -3.687   9.974  -4.769
  350    HA   THR  43           HA       THR  43  -5.416   9.207  -2.550
  351    HB   THR  43           HB       THR  43  -6.259  10.720  -5.039
  352    HG1  THR  43           HG1      THR  43  -4.598  11.638  -2.931
  353   1HG2  THR  43          3HG2      THR  43  -6.898  11.056  -2.064
  354   2HG2  THR  43          1HG2      THR  43  -7.508  12.086  -3.374
  355   3HG2  THR  43          2HG2      THR  43  -7.986  10.385  -3.302
  356    H    ALA  44           H        ALA  44  -7.600   8.235  -2.938
  357    HA   ALA  44           HA       ALA  44  -8.041   6.799  -5.452
  358   1HB   ALA  44          3HB       ALA  44  -7.674   5.373  -2.783
  359   2HB   ALA  44          2HB       ALA  44  -8.338   4.631  -4.254
  360   3HB   ALA  44          1HB       ALA  44  -6.655   5.193  -4.221
  361    H    MET  45           H        MET  45 -10.254   6.326  -5.733
  362    HA   MET  45           HA       MET  45 -12.158   7.496  -3.782
  363   1HB   MET  45          1HB       MET  45 -12.078   7.443  -6.827
  364   2HB   MET  45          2HB       MET  45 -13.467   7.940  -5.864
  365   1HG   MET  45          2HG       MET  45 -12.059   9.699  -4.772
  366   2HG   MET  45          1HG       MET  45 -10.730   9.278  -5.856
  367   1HE   MET  45          3HE       MET  45 -10.764   9.604  -8.423
  368   2HE   MET  45          1HE       MET  45 -12.358   8.851  -8.699
  369   3HE   MET  45          2HE       MET  45 -12.026  10.483  -9.317
  370    CH2  TRP  46           CH2      TRP  46 -20.723   1.921  -4.745
  371    H    TRP  46           H        TRP  46 -14.351   6.493  -4.034
  372    HA   TRP  46           HA       TRP  46 -14.347   3.802  -3.491
  373   1HB   TRP  46          1HB       TRP  46 -16.239   5.590  -3.209
  374   2HB   TRP  46          2HB       TRP  46 -16.629   5.239  -4.866
  375    HD1  TRP  46           HD1      TRP  46 -16.017   2.993  -1.748
  376    HE1  TRP  46           HE1      TRP  46 -17.839   1.182  -1.640
  377    HE3  TRP  46           HE3      TRP  46 -18.755   4.608  -5.609
  378    HZ2  TRP  46           HZ2      TRP  46 -20.290   0.586  -3.097
  379    HZ3  TRP  46           HZ3      TRP  46 -20.894   3.426  -6.286
  380    HH2  TRP  46           HH2      TRP  46 -21.638   1.417  -5.025
  381    HA   PRO  47           HA       PRO  47 -15.353   1.635  -3.961
  382   1HB   PRO  47          2HB       PRO  47 -14.340  -0.736  -4.658
  383   2HB   PRO  47          1HB       PRO  47 -15.783  -0.051  -5.453
  384   1HG   PRO  47          1HG       PRO  47 -12.915   0.115  -6.437
  385   2HG   PRO  47          2HG       PRO  47 -14.341  -0.471  -7.346
  386   1HD   PRO  47          1HD       PRO  47 -13.484   2.114  -7.562
  387   2HD   PRO  47          2HD       PRO  47 -15.229   1.737  -7.530
  388    OH   TYR  48           OH       TYR  48  -9.939  -2.867  -7.285
  389    H    TYR  48           H        TYR  48 -12.192   2.804  -4.812
  390    HA   TYR  48           HA       TYR  48 -10.903   1.149  -2.688
  391   1HB   TYR  48          1HB       TYR  48  -9.771   2.815  -4.949
  392   2HB   TYR  48          2HB       TYR  48  -8.811   2.026  -3.694
  393    HD1  TYR  48           HD2      TYR  48  -9.357  -0.611  -3.389
  394    HD2  TYR  48           HD1      TYR  48 -10.119   1.670  -6.973
  395    HE1  TYR  48           HE2      TYR  48  -9.537  -2.707  -4.698
  396    HE2  TYR  48           HE1      TYR  48 -10.215  -0.422  -8.282
  397    HH   TYR  48           HH       TYR  48 -10.109  -2.729  -8.219
  398    H    GLN  49           H        GLN  49  -9.402   2.065  -1.304
  399    HA   GLN  49           HA       GLN  49  -9.186   4.983  -1.106
  400   1HB   GLN  49          1HB       GLN  49 -10.924   4.722   0.274
  401   2HB   GLN  49          2HB       GLN  49 -10.222   3.342   1.124
  402   1HG   GLN  49          1HG       GLN  49  -8.523   4.920   2.098
  403   2HG   GLN  49          2HG       GLN  49  -9.184   6.230   1.117
  404   1HE2  GLN  49          2HE2      GLN  49 -12.138   6.639   3.159
  405   2HE2  GLN  49          1HE2      GLN  49 -11.631   6.673   1.482
  406    H    THR  50           H        THR  50  -7.354   5.550  -0.306
  407    HA   THR  50           HA       THR  50  -5.223   3.516   0.228
  408    HB   THR  50           HB       THR  50  -3.845   5.805  -0.285
  409    HG1  THR  50           HG1      THR  50  -4.813   6.874  -1.961
  410   1HG2  THR  50          3HG2      THR  50  -3.527   3.612  -1.362
  411   2HG2  THR  50          1HG2      THR  50  -4.913   3.938  -2.431
  412   3HG2  THR  50          2HG2      THR  50  -3.449   4.942  -2.527
  413    H    GLU  51           H        GLU  51  -3.968   3.611   2.000
  414    HA   GLU  51           HA       GLU  51  -4.117   6.044   3.702
  415   1HB   GLU  51          2HB       GLU  51  -4.098   4.836   5.748
  416   2HB   GLU  51          1HB       GLU  51  -5.519   4.380   4.807
  417   1HG   GLU  51          2HG       GLU  51  -4.039   2.447   3.957
  418   2HG   GLU  51          1HG       GLU  51  -2.977   2.798   5.332
  419    H    CYS  52           H        CYS  52  -2.123   6.762   4.284
  420    HA   CYS  52           HA       CYS  52   0.139   5.498   2.928
  421   1HB   CYS  52          2HB       CYS  52   0.068   8.154   4.314
  422   2HB   CYS  52          1HB       CYS  52   1.086   7.643   2.974
  423    H    CYS  53           H        CYS  53   2.296   5.691   3.991
  424    HA   CYS  53           HA       CYS  53   2.514   6.307   6.807
  425   1HB   CYS  53          1HB       CYS  53   3.405   4.191   7.561
  426   2HB   CYS  53          2HB       CYS  53   1.758   3.949   6.959
  427    H    LYS  54           H        LYS  54   4.990   6.071   7.401
  428    HA   LYS  54           HA       LYS  54   6.729   6.208   5.035
  429   1HB   LYS  54          2HB       LYS  54   7.933   7.962   6.438
  430   2HB   LYS  54          1HB       LYS  54   6.537   8.483   5.481
  431   1HG   LYS  54          2HG       LYS  54   5.142   8.532   7.517
  432   2HG   LYS  54          1HG       LYS  54   6.472   7.842   8.465
  433   1HD   LYS  54          2HD       LYS  54   6.344  10.222   8.871
  434   2HD   LYS  54          1HD       LYS  54   7.848   9.864   8.009
  435   1HE   LYS  54          1HE       LYS  54   6.868  10.672   5.895
  436   2HE   LYS  54          2HE       LYS  54   5.288  10.882   6.678
  437   1HZ   LYS  54          2HZ       LYS  54   7.750  12.329   7.359
  438   2HZ   LYS  54          3HZ       LYS  54   6.482  12.927   6.493
  439   3HZ   LYS  54          1HZ       LYS  54   6.283  12.534   8.080
  440    H    GLY  55           H        GLY  55   8.766   5.389   5.476
  441   1HA   GLY  55          1HA       GLY  55  10.397   4.603   7.158
  442   2HA   GLY  55          2HA       GLY  55   9.063   3.829   8.028
  443    H    ASP  56           H        ASP  56  11.524   2.718   6.540
  444    HA   ASP  56           HA       ASP  56  10.747   1.404   4.189
  445   1HB   ASP  56          2HB       ASP  56  12.755   0.723   6.369
  446   2HB   ASP  56          1HB       ASP  56  12.567  -0.235   4.896
  447    NH1  ARG  57           NH1      ARG  57  11.108  -6.123   3.618
  448    NH2  ARG  57           NH2      ARG  57   9.326  -7.543   4.027
  449    H    ARG  57           H        ARG  57   9.591  -0.318   3.710
  450    HA   ARG  57           HA       ARG  57   7.747  -1.515   3.824
  451   1HB   ARG  57          2HB       ARG  57   8.278  -3.632   4.416
  452   2HB   ARG  57          1HB       ARG  57   9.839  -2.915   4.147
  453   1HG   ARG  57          1HG       ARG  57  10.060  -2.626   6.686
  454   2HG   ARG  57          2HG       ARG  57   8.634  -3.662   6.840
  455   1HD   ARG  57          1HD       ARG  57  11.281  -4.342   5.507
  456   2HD   ARG  57          2HD       ARG  57  10.707  -4.940   7.055
  457    HE   ARG  57           HE       ARG  57   8.845  -6.077   5.917
  458   1HH1  ARG  57          2HH1      ARG  57  11.655  -5.314   3.865
  459   2HH1  ARG  57          1HH1      ARG  57  11.366  -6.661   2.806
  460   1HH2  ARG  57          1HH2      ARG  57   8.521  -7.778   4.602
  461   2HH2  ARG  57          2HH2      ARG  57   9.524  -8.093   3.203
  462    H    CYS  58           H        CYS  58   7.455   0.783   5.612
  463    HA   CYS  58           HA       CYS  58   6.232   0.055   8.033
  464   1HB   CYS  58          1HB       CYS  58   5.210   2.252   7.950
  465   2HB   CYS  58          2HB       CYS  58   6.896   2.332   7.454
  466    H    ASN  59           H        ASN  59   4.962  -0.025   4.732
  467    HA   ASN  59           HA       ASN  59   2.158  -0.116   5.566
  468   1HB   ASN  59          2HB       ASN  59   1.723  -0.334   3.161
  469   2HB   ASN  59          1HB       ASN  59   2.759   1.049   3.492
  470   1HD2  ASN  59          2HD2      ASN  59   3.882  -1.048   0.483
  471   2HD2  ASN  59          1HD2      ASN  59   2.627   0.070   0.942
  472    H    LYS  60           H        LYS  60   3.144  -2.009   6.999
  473    HA   LYS  60           HA       LYS  60   3.363  -4.614   5.719
  474   1HB   LYS  60          1HB       LYS  60   4.536  -3.899   7.792
  475   2HB   LYS  60          2HB       LYS  60   2.973  -3.868   8.646
  476   1HG   LYS  60          1HG       LYS  60   2.693  -6.305   8.055
  477   2HG   LYS  60          2HG       LYS  60   4.305  -6.289   7.341
  478   1HD   LYS  60          2HD       LYS  60   3.563  -5.822  10.276
  479   2HD   LYS  60          1HD       LYS  60   4.329  -7.248   9.578
  480   1HE   LYS  60          1HE       LYS  60   6.157  -6.182  10.511
  481   2HE   LYS  60          2HE       LYS  60   6.245  -5.598   8.843
  482   1HZ   LYS  60          1HZ       LYS  60   5.086  -4.179  11.150
  483   2HZ   LYS  60          3HZ       LYS  60   6.535  -3.852  10.438
  484   3HZ   LYS  60          2HZ       LYS  60   5.135  -3.587   9.617
   
  Start of MODEL           7
 Raw file had  484 H/Q atoms
  Start of MODEL    7
    1    NH1  ARG   1           NH2      ARG   1  15.328   0.430   3.603
    2    NH2  ARG   1           NH1      ARG   1  16.660   1.325   1.939
    3   1H    ARG   1          2H        ARG   1  12.107   4.232  -1.329
    4   2H    ARG   1          1H        ARG   1  11.104   4.991  -0.285
    5   3H    ARG   1          3H        ARG   1  12.609   5.573  -0.525
    6    HA   ARG   1           HA       ARG   1  13.625   3.777   0.569
    7   1HB   ARG   1          1HB       ARG   1  11.546   5.087   1.925
    8   2HB   ARG   1          2HB       ARG   1  11.126   3.405   2.177
    9   1HG   ARG   1          2HG       ARG   1  13.717   4.813   2.984
   10   2HG   ARG   1          1HG       ARG   1  12.367   4.363   4.016
   11   1HD   ARG   1          1HD       ARG   1  13.883   2.703   4.511
   12   2HD   ARG   1          2HD       ARG   1  12.867   1.898   3.367
   13    HE   ARG   1           HE       ARG   1  15.069   3.227   2.025
   14   1HH1  ARG   1          2HH2      ARG   1  14.527   0.488   4.228
   15   2HH1  ARG   1          1HH2      ARG   1  15.938  -0.369   3.687
   16   1HH2  ARG   1          2HH1      ARG   1  16.882   2.071   1.297
   17   2HH2  ARG   1          1HH1      ARG   1  17.286   0.535   2.007
   18    H    ILE   2           H        ILE   2  13.102   1.444   1.605
   19    HA   ILE   2           HA       ILE   2  11.952  -0.232  -0.445
   20    HB   ILE   2           HB       ILE   2  13.862  -0.523   1.594
   21   1HG1  ILE   2          1HG1      ILE   2  13.794  -1.541  -0.678
   22   2HG1  ILE   2          2HG1      ILE   2  14.376  -2.589   0.619
   23   1HG2  ILE   2          1HG2      ILE   2  11.523  -2.345   2.307
   24   2HG2  ILE   2          3HG2      ILE   2  13.199  -2.508   2.868
   25   3HG2  ILE   2          2HG2      ILE   2  12.271  -1.068   3.278
   26   1HD1  ILE   2          3HD1      ILE   2  11.468  -2.617  -0.291
   27   2HD1  ILE   2          1HD1      ILE   2  12.714  -3.692  -0.959
   28   3HD1  ILE   2          2HD1      ILE   2  12.292  -3.783   0.756
   29    H    CYS   3           H        CYS   3   9.879  -0.954  -0.556
   30    HA   CYS   3           HA       CYS   3   8.220  -0.958   1.869
   31   1HB   CYS   3          1HB       CYS   3   7.849   0.907  -0.494
   32   2HB   CYS   3          2HB       CYS   3   6.421   0.309   0.346
   33    OH   TYR   4           OH       TYR   4   6.693  -6.837   5.252
   34    H    TYR   4           H        TYR   4   5.824  -1.684   1.109
   35    HA   TYR   4           HA       TYR   4   6.320  -4.154  -0.413
   36   1HB   TYR   4          2HB       TYR   4   3.970  -3.088   1.213
   37   2HB   TYR   4          1HB       TYR   4   3.916  -4.570   0.291
   38    HD1  TYR   4           HD2      TYR   4   5.402  -6.526   0.903
   39    HD2  TYR   4           HD1      TYR   4   5.023  -3.044   3.415
   40    HE1  TYR   4           HE2      TYR   4   6.417  -7.754   2.813
   41    HE2  TYR   4           HE1      TYR   4   5.852  -4.318   5.333
   42    HH   TYR   4           HH       TYR   4   6.693  -6.332   6.068
   43    H    SER   5           H        SER   5   5.352  -4.579  -2.389
   44    HA   SER   5           HA       SER   5   3.321  -2.701  -3.427
   45   1HB   SER   5          1HB       SER   5   5.915  -3.074  -4.933
   46   2HB   SER   5          2HB       SER   5   4.540  -2.065  -5.395
   47    HG   SER   5           HG       SER   5   5.147  -1.180  -3.057
   48    H    HIS   6           H        HIS   6   2.064  -4.657  -3.237
   49    HA   HIS   6           HA       HIS   6   2.109  -6.225  -5.674
   50   1HB   HIS   6          1HB       HIS   6   2.133  -8.395  -4.518
   51   2HB   HIS   6          2HB       HIS   6   3.640  -7.526  -4.235
   52    HD1  HIS   6           HD1      HIS   6   3.885  -6.337  -1.801
   53    HD2  HIS   6           HD2      HIS   6   0.830  -9.190  -2.200
   54    HE1  HIS   6           HE1      HIS   6   2.916  -6.768   0.525
   55    H    LYS   7           H        LYS   7   0.109  -7.517  -5.777
   56    HA   LYS   7           HA       LYS   7  -2.172  -6.167  -4.457
   57   1HB   LYS   7          1HB       LYS   7  -3.537  -7.552  -5.960
   58   2HB   LYS   7          2HB       LYS   7  -2.444  -6.455  -6.808
   59   1HG   LYS   7          2HG       LYS   7  -0.947  -8.268  -7.402
   60   2HG   LYS   7          1HG       LYS   7  -1.849  -9.417  -6.382
   61   1HD   LYS   7          2HD       LYS   7  -3.838  -9.151  -7.788
   62   2HD   LYS   7          1HD       LYS   7  -3.017  -7.922  -8.772
   63   1HE   LYS   7          1HE       LYS   7  -1.356  -9.590  -9.517
   64   2HE   LYS   7          2HE       LYS   7  -2.102 -10.825  -8.484
   65   1HZ   LYS   7          2HZ       LYS   7  -3.406  -9.466 -10.733
   66   2HZ   LYS   7          1HZ       LYS   7  -2.822 -11.007 -10.736
   67   3HZ   LYS   7          3HZ       LYS   7  -4.096 -10.612  -9.768
   68    H    ALA   8           H        ALA   8  -3.671  -7.430  -3.181
   69    HA   ALA   8           HA       ALA   8  -2.349  -9.373  -1.478
   70   1HB   ALA   8          3HB       ALA   8  -3.874  -7.629  -0.648
   71   2HB   ALA   8          1HB       ALA   8  -5.227  -8.373  -1.530
   72   3HB   ALA   8          2HB       ALA   8  -4.438  -9.250  -0.202
   73    H    SER   9           H        SER   9  -2.181 -10.577  -3.816
   74    HA   SER   9           HA       SER   9  -3.575 -13.070  -3.369
   75   1HB   SER   9          2HB       SER   9  -4.611 -13.213  -5.603
   76   2HB   SER   9          1HB       SER   9  -5.291 -11.836  -4.721
   77    HG   SER   9           HG       SER   9  -3.260 -11.800  -6.703
   78    H    LEU  10           H        LEU  10  -0.927 -12.085  -3.197
   79    HA   LEU  10           HA       LEU  10   0.515 -13.906  -4.912
   80   1HB   LEU  10          2HB       LEU  10   1.036 -10.893  -4.862
   81   2HB   LEU  10          1HB       LEU  10   2.204 -12.065  -5.461
   82    HG   LEU  10           HG       LEU  10  -0.520 -11.536  -6.709
   83   1HD1  LEU  10          2HD2      LEU  10   1.052  -9.644  -6.914
   84   2HD1  LEU  10          3HD2      LEU  10   2.287 -10.734  -7.575
   85   3HD1  LEU  10          1HD2      LEU  10   0.789 -10.436  -8.479
   86   1HD2  LEU  10          1HD1      LEU  10   1.843 -13.238  -7.650
   87   2HD2  LEU  10          2HD1      LEU  10   0.253 -13.860  -7.162
   88   3HD2  LEU  10          3HD1      LEU  10   0.399 -12.862  -8.611
   89    HA   PRO  11           HA       PRO  11   2.746 -13.979  -1.021
   90   1HB   PRO  11          1HB       PRO  11   5.316 -13.787  -2.596
   91   2HB   PRO  11          2HB       PRO  11   4.894 -14.948  -1.305
   92   1HG   PRO  11          2HG       PRO  11   4.840 -15.732  -3.905
   93   2HG   PRO  11          1HG       PRO  11   3.503 -16.201  -2.812
   94   1HD   PRO  11          2HD       PRO  11   3.563 -13.911  -4.798
   95   2HD   PRO  11          1HD       PRO  11   2.294 -15.144  -4.527
   96    NH1  ARG  12           NH1      ARG  12   2.485  -7.207   3.732
   97    NH2  ARG  12           NH2      ARG  12   0.817  -7.852   5.150
   98    H    ARG  12           H        ARG  12   4.034 -12.474   0.387
   99    HA   ARG  12           HA       ARG  12   3.624  -9.744  -0.345
  100   1HB   ARG  12          2HB       ARG  12   5.259 -11.012   1.882
  101   2HB   ARG  12          1HB       ARG  12   5.133  -9.265   1.586
  102   1HG   ARG  12          2HG       ARG  12   2.705  -9.323   1.839
  103   2HG   ARG  12          1HG       ARG  12   2.738 -11.067   2.140
  104   1HD   ARG  12          1HD       ARG  12   3.943 -10.791   4.197
  105   2HD   ARG  12          2HD       ARG  12   4.354  -9.114   3.851
  106    HE   ARG  12           HE       ARG  12   1.877 -10.132   4.978
  107   1HH1  ARG  12          1HH1      ARG  12   3.292  -7.381   3.156
  108   2HH1  ARG  12          2HH1      ARG  12   2.054  -6.279   3.781
  109   1HH2  ARG  12          2HH2      ARG  12   0.325  -8.524   5.717
  110   2HH2  ARG  12          1HH2      ARG  12   0.521  -6.871   5.114
  111    H    ALA  13           H        ALA  13   4.684  -8.736  -1.903
  112    HA   ALA  13           HA       ALA  13   7.623  -9.199  -2.248
  113   1HB   ALA  13          2HB       ALA  13   6.242  -9.945  -4.177
  114   2HB   ALA  13          3HB       ALA  13   5.651  -8.280  -4.365
  115   3HB   ALA  13          1HB       ALA  13   7.371  -8.631  -4.566
  116    H    THR  14           H        THR  14   8.933  -7.500  -2.094
  117    HA   THR  14           HA       THR  14   7.825  -4.801  -1.656
  118    HB   THR  14           HB       THR  14   9.902  -4.559  -0.215
  119    HG1  THR  14           HG1      THR  14  10.927  -6.552   0.353
  120   1HG2  THR  14          3HG2      THR  14   7.989  -6.759   0.659
  121   2HG2  THR  14          1HG2      THR  14   9.150  -5.939   1.719
  122   3HG2  THR  14          2HG2      THR  14   7.851  -5.007   0.977
  123    H    LYS  15           H        LYS  15   9.332  -3.085  -2.133
  124    HA   LYS  15           HA       LYS  15  11.604  -3.732  -3.891
  125   1HB   LYS  15          1HB       LYS  15  10.763  -2.261  -5.757
  126   2HB   LYS  15          2HB       LYS  15   9.961  -3.826  -5.580
  127   1HG   LYS  15          2HG       LYS  15   8.042  -2.796  -4.503
  128   2HG   LYS  15          1HG       LYS  15   8.833  -1.229  -4.441
  129   1HD   LYS  15          2HD       LYS  15   7.172  -1.370  -6.284
  130   2HD   LYS  15          1HD       LYS  15   8.800  -0.974  -6.828
  131   1HE   LYS  15          2HE       LYS  15   7.662  -2.590  -8.335
  132   2HE   LYS  15          1HE       LYS  15   9.172  -3.219  -7.677
  133   1HZ   LYS  15          1HZ       LYS  15   7.860  -4.429  -6.055
  134   2HZ   LYS  15          3HZ       LYS  15   6.463  -3.887  -6.746
  135   3HZ   LYS  15          2HZ       LYS  15   7.482  -4.855  -7.598
  136    H    THR  16           H        THR  16  13.000  -2.070  -4.299
  137    HA   THR  16           HA       THR  16  13.175  -0.015  -2.280
  138    HB   THR  16           HB       THR  16  14.989  -0.439  -4.685
  139    HG1  THR  16           HG1      THR  16  14.980  -1.910  -2.262
  140   1HG2  THR  16          1HG2      THR  16  15.473   0.418  -1.782
  141   2HG2  THR  16          2HG2      THR  16  16.704   0.287  -3.058
  142   3HG2  THR  16          3HG2      THR  16  15.421   1.506  -3.187
  143    H    CYS  17           H        CYS  17  11.372   1.327  -2.741
  144    HA   CYS  17           HA       CYS  17  11.196   2.661  -5.391
  145   1HB   CYS  17          1HB       CYS  17   9.659   2.908  -2.780
  146   2HB   CYS  17          2HB       CYS  17   9.390   3.974  -4.165
  147    H    VAL  18           H        VAL  18  11.241   5.111  -5.390
  148    HA   VAL  18           HA       VAL  18  13.557   6.105  -3.908
  149    HB   VAL  18           HB       VAL  18  11.537   7.523  -5.709
  150   1HG1  VAL  18          2HG2      VAL  18  14.236   8.444  -4.622
  151   2HG1  VAL  18          1HG2      VAL  18  13.275   9.290  -5.852
  152   3HG1  VAL  18          3HG2      VAL  18  12.652   9.134  -4.207
  153   1HG2  VAL  18          2HG1      VAL  18  14.340   6.454  -6.260
  154   2HG2  VAL  18          3HG1      VAL  18  12.828   5.796  -6.919
  155   3HG2  VAL  18          1HG1      VAL  18  13.359   7.416  -7.384
  156    H    GLU  19           H        GLU  19  10.129   6.965  -4.087
  157    HA   GLU  19           HA       GLU  19   9.586   8.867  -2.468
  158   1HB   GLU  19          1HB       GLU  19   8.064   6.242  -2.240
  159   2HB   GLU  19          2HB       GLU  19   7.423   7.876  -1.941
  160   1HG   GLU  19          1HG       GLU  19   8.256   6.610  -4.519
  161   2HG   GLU  19          2HG       GLU  19   6.651   7.176  -4.106
  162    H    ASN  20           H        ASN  20   9.273   9.507  -0.519
  163    HA   ASN  20           HA       ASN  20  10.563   8.113   1.717
  164   1HB   ASN  20          2HB       ASN  20  10.287  10.136   2.902
  165   2HB   ASN  20          1HB       ASN  20  10.725  10.639   1.264
  166   1HD2  ASN  20          2HD2      ASN  20   7.584  12.402   2.781
  167   2HD2  ASN  20          1HD2      ASN  20   9.076  11.930   3.572
  168    H    THR  21           H        THR  21   7.352   8.210   0.267
  169    HA   THR  21           HA       THR  21   6.115   7.398   2.860
  170    HB   THR  21           HB       THR  21   4.058   8.399   1.491
  171    HG1  THR  21           HG1      THR  21   6.209  10.061   0.630
  172   1HG2  THR  21          1HG2      THR  21   6.069  10.081   3.047
  173   2HG2  THR  21          2HG2      THR  21   4.428  10.612   2.611
  174   3HG2  THR  21          3HG2      THR  21   4.647   9.218   3.681
  175    H    CYS  22           H        CYS  22   4.317   5.858   2.458
  176    HA   CYS  22           HA       CYS  22   4.170   4.629  -0.190
  177   1HB   CYS  22          1HB       CYS  22   4.847   3.037   2.294
  178   2HB   CYS  22          2HB       CYS  22   4.594   2.390   0.681
  179    OH   TYR  23           OH       TYR  23  -0.305   2.012  -5.409
  180    H    TYR  23           H        TYR  23   2.390   2.832   0.026
  181    HA   TYR  23           HA       TYR  23   0.325   3.700   1.984
  182   1HB   TYR  23          1HB       TYR  23  -1.341   3.918   0.260
  183   2HB   TYR  23          2HB       TYR  23   0.010   4.975  -0.055
  184    HD1  TYR  23           HD1      TYR  23  -1.749   1.865  -1.108
  185    HD2  TYR  23           HD2      TYR  23   1.493   4.522  -2.079
  186    HE1  TYR  23           HE1      TYR  23  -1.778   1.045  -3.433
  187    HE2  TYR  23           HE2      TYR  23   1.337   3.817  -4.456
  188    HH   TYR  23           HH       TYR  23  -0.940   1.309  -5.568
  189    H    LYS  24           H        LYS  24  -1.456   2.414   1.967
  190    HA   LYS  24           HA       LYS  24  -1.261  -0.269   0.746
  191   1HB   LYS  24          1HB       LYS  24  -2.129  -1.375   2.723
  192   2HB   LYS  24          2HB       LYS  24  -0.574  -0.591   3.032
  193   1HG   LYS  24          2HG       LYS  24  -1.820   1.311   4.137
  194   2HG   LYS  24          1HG       LYS  24  -3.324   0.407   3.857
  195   1HD   LYS  24          2HD       LYS  24  -2.746  -0.111   6.080
  196   2HD   LYS  24          1HD       LYS  24  -2.277  -1.539   5.137
  197   1HE   LYS  24          1HE       LYS  24   0.065  -0.741   5.105
  198   2HE   LYS  24          2HE       LYS  24  -0.392   0.683   6.074
  199   1HZ   LYS  24          2HZ       LYS  24  -1.115  -0.972   7.755
  200   2HZ   LYS  24          1HZ       LYS  24  -0.457  -2.153   6.787
  201   3HZ   LYS  24          3HZ       LYS  24   0.509  -0.990   7.435
  202    H    MET  25           H        MET  25  -2.968  -0.663  -0.401
  203    HA   MET  25           HA       MET  25  -5.231   1.247  -0.396
  204   1HB   MET  25          1HB       MET  25  -3.902   1.082  -2.417
  205   2HB   MET  25          2HB       MET  25  -4.352  -0.626  -2.511
  206   1HG   MET  25          2HG       MET  25  -6.681  -0.078  -2.850
  207   2HG   MET  25          1HG       MET  25  -6.417   1.599  -2.367
  208   1HE   MET  25          1HE       MET  25  -5.708  -1.076  -5.097
  209   2HE   MET  25          2HE       MET  25  -5.040  -0.091  -6.421
  210   3HE   MET  25          3HE       MET  25  -4.087  -0.341  -4.944
  211    H    PHE  26           H        PHE  26  -7.252   0.572   0.069
  212    HA   PHE  26           HA       PHE  26  -7.914  -2.300   0.372
  213   1HB   PHE  26          1HB       PHE  26  -8.892  -1.791   2.584
  214   2HB   PHE  26          2HB       PHE  26  -7.150  -1.533   2.569
  215    HD1  PHE  26           HD1      PHE  26  -6.330   0.984   2.134
  216    HD2  PHE  26           HD2      PHE  26 -10.308  -0.079   3.443
  217    HE1  PHE  26           HE1      PHE  26  -6.648   3.203   3.097
  218    HE2  PHE  26           HE2      PHE  26 -10.389   1.977   4.807
  219    HZ   PHE  26           HZ       PHE  26  -8.428   3.563   4.778
  220    H    ILE  27           H        ILE  27 -10.329  -2.535   0.582
  221    HA   ILE  27           HA       ILE  27 -11.724  -0.556  -1.113
  222    HB   ILE  27           HB       ILE  27 -12.738  -3.035   0.314
  223   1HG1  ILE  27          1HG1      ILE  27 -12.130  -2.362  -2.614
  224   2HG1  ILE  27          2HG1      ILE  27 -11.184  -3.436  -1.575
  225   1HG2  ILE  27          1HG2      ILE  27 -14.505  -1.270   0.076
  226   2HG2  ILE  27          3HG2      ILE  27 -14.120  -1.144  -1.650
  227   3HG2  ILE  27          2HG2      ILE  27 -14.830  -2.626  -0.989
  228   1HD1  ILE  27          3HD1      ILE  27 -13.244  -4.893  -1.347
  229   2HD1  ILE  27          2HD1      ILE  27 -14.006  -3.889  -2.610
  230   3HD1  ILE  27          1HD1      ILE  27 -12.541  -4.804  -2.982
  231    NH1  ARG  28           NH2      ARG  28 -13.507   7.391   3.179
  232    NH2  ARG  28           NH1      ARG  28 -15.668   7.950   3.767
  233    H    ARG  28           H        ARG  28 -12.772   1.147  -0.276
  234    HA   ARG  28           HA       ARG  28 -12.114   2.244   2.162
  235   1HB   ARG  28          1HB       ARG  28 -13.051   3.495   0.306
  236   2HB   ARG  28          2HB       ARG  28 -14.624   2.700   0.496
  237   1HG   ARG  28          1HG       ARG  28 -15.025   3.792   2.600
  238   2HG   ARG  28          2HG       ARG  28 -13.355   4.374   2.710
  239   1HD   ARG  28          1HD       ARG  28 -13.680   5.930   0.883
  240   2HD   ARG  28          2HD       ARG  28 -15.210   5.169   0.444
  241    HE   ARG  28           HE       ARG  28 -16.334   6.261   2.088
  242   1HH1  ARG  28          1HH2      ARG  28 -12.832   6.874   2.626
  243   2HH1  ARG  28          2HH2      ARG  28 -13.146   8.068   3.833
  244   1HH2  ARG  28          1HH1      ARG  28 -16.665   7.828   3.663
  245   2HH2  ARG  28          2HH1      ARG  28 -15.321   8.625   4.432
  246    H    THR  29           H        THR  29 -15.058   0.317   1.572
  247    HA   THR  29           HA       THR  29 -16.119   0.702   4.233
  248    HB   THR  29           HB       THR  29 -17.663  -1.179   3.366
  249    HG1  THR  29           HG1      THR  29 -16.840  -2.165   1.667
  250   1HG2  THR  29          2HG2      THR  29 -17.333   1.330   1.653
  251   2HG2  THR  29          1HG2      THR  29 -18.779   0.308   1.752
  252   3HG2  THR  29          3HG2      THR  29 -18.243   1.221   3.176
  253    H    HIS  30           H        HIS  30 -13.531  -1.270   3.159
  254    HA   HIS  30           HA       HIS  30 -13.872  -3.161   5.452
  255   1HB   HIS  30          1HB       HIS  30 -12.867  -3.851   2.673
  256   2HB   HIS  30          2HB       HIS  30 -13.147  -4.966   4.021
  257    HD1  HIS  30           HD1      HIS  30 -15.920  -4.427   4.950
  258    HD2  HIS  30           HD2      HIS  30 -14.919  -3.988   0.909
  259    HE1  HIS  30           HE1      HIS  30 -18.093  -4.279   3.647
  260    NH1  ARG  31           NH2      ARG  31 -13.454  -1.850   9.536
  261    NH2  ARG  31           NH1      ARG  31 -14.966  -2.322   7.856
  262    H    ARG  31           H        ARG  31 -12.563  -1.260   6.315
  263    HA   ARG  31           HA       ARG  31  -9.990  -0.578   5.687
  264   1HB   ARG  31          1HB       ARG  31 -11.135  -1.149   8.443
  265   2HB   ARG  31          2HB       ARG  31  -9.739  -0.138   8.074
  266   1HG   ARG  31          2HG       ARG  31 -11.039   1.610   7.751
  267   2HG   ARG  31          1HG       ARG  31 -11.865   0.851   6.409
  268   1HD   ARG  31          1HD       ARG  31 -12.678   0.651   9.351
  269   2HD   ARG  31          2HD       ARG  31 -13.395   1.694   8.140
  270    HE   ARG  31           HE       ARG  31 -14.398  -0.065   7.014
  271   1HH1  ARG  31          1HH2      ARG  31 -12.797  -1.225   9.974
  272   2HH1  ARG  31          2HH2      ARG  31 -13.591  -2.773   9.920
  273   1HH2  ARG  31          1HH1      ARG  31 -15.445  -2.056   7.001
  274   2HH2  ARG  31          2HH1      ARG  31 -15.132  -3.235   8.251
  275    H    GLU  32           H        GLU  32 -10.998  -3.425   7.520
  276    HA   GLU  32           HA       GLU  32  -8.330  -4.367   7.861
  277   1HB   GLU  32          2HB       GLU  32  -9.382  -6.209   9.025
  278   2HB   GLU  32          1HB       GLU  32 -10.357  -4.797   9.407
  279   1HG   GLU  32          1HG       GLU  32 -11.003  -6.988   7.353
  280   2HG   GLU  32          2HG       GLU  32 -11.748  -6.767   8.927
  281    OH   TYR  33           OH       TYR  33  -9.026  -7.730  -2.171
  282    H    TYR  33           H        TYR  33  -9.633  -4.230   5.117
  283    HA   TYR  33           HA       TYR  33  -8.477  -6.819   4.103
  284   1HB   TYR  33          1HB       TYR  33 -10.846  -6.942   3.734
  285   2HB   TYR  33          2HB       TYR  33 -10.878  -5.292   3.101
  286    HD1  TYR  33           HD2      TYR  33  -8.710  -8.303   2.323
  287    HD2  TYR  33           HD1      TYR  33 -11.378  -5.256   0.829
  288    HE1  TYR  33           HE2      TYR  33  -8.079  -8.878   0.001
  289    HE2  TYR  33           HE1      TYR  33 -10.809  -5.905  -1.486
  290    HH   TYR  33           HH       TYR  33  -9.515  -7.238  -2.833
  291    H    ILE  34           H        ILE  34  -6.419  -5.994   3.787
  292    HA   ILE  34           HA       ILE  34  -6.021  -3.573   2.169
  293    HB   ILE  34           HB       ILE  34  -4.033  -5.727   3.022
  294   1HG1  ILE  34          1HG1      ILE  34  -4.876  -4.765   5.041
  295   2HG1  ILE  34          2HG1      ILE  34  -3.298  -4.056   4.718
  296   1HG2  ILE  34          1HG2      ILE  34  -3.690  -2.937   1.833
  297   2HG2  ILE  34          2HG2      ILE  34  -2.376  -3.900   2.545
  298   3HG2  ILE  34          3HG2      ILE  34  -3.220  -4.482   1.108
  299   1HD1  ILE  34          3HD1      ILE  34  -4.489  -2.006   3.794
  300   2HD1  ILE  34          2HD1      ILE  34  -6.021  -2.738   4.332
  301   3HD1  ILE  34          1HD1      ILE  34  -4.776  -2.328   5.512
  302    H    SER  35           H        SER  35  -6.275  -3.616   0.034
  303    HA   SER  35           HA       SER  35  -6.674  -6.163  -1.391
  304   1HB   SER  35          1HB       SER  35  -6.931  -3.320  -2.441
  305   2HB   SER  35          2HB       SER  35  -7.659  -4.808  -3.077
  306    HG   SER  35           HG       SER  35  -8.480  -4.703  -0.620
  307    H    GLU  36           H        GLU  36  -4.392  -3.374  -1.273
  308    HA   GLU  36           HA       GLU  36  -2.368  -4.887  -2.678
  309   1HB   GLU  36          2HB       GLU  36  -3.758  -4.195  -4.610
  310   2HB   GLU  36          1HB       GLU  36  -3.799  -2.535  -4.018
  311   1HG   GLU  36          1HG       GLU  36  -1.437  -2.228  -4.562
  312   2HG   GLU  36          2HG       GLU  36  -1.279  -3.942  -4.993
  313    NH1  ARG  37           NH1      ARG  37  -0.461  -6.491   2.408
  314    NH2  ARG  37           NH2      ARG  37  -1.198  -6.993   0.271
  315    H    ARG  37           H        ARG  37  -0.354  -3.437  -2.914
  316    HA   ARG  37           HA       ARG  37  -0.403  -1.060  -1.111
  317   1HB   ARG  37          1HB       ARG  37   1.415  -3.499  -0.916
  318   2HB   ARG  37          2HB       ARG  37   1.966  -1.899  -0.423
  319   1HG   ARG  37          1HG       ARG  37   0.860  -1.820   1.435
  320   2HG   ARG  37          2HG       ARG  37  -0.631  -2.395   0.723
  321   1HD   ARG  37          2HD       ARG  37   1.619  -4.225   1.604
  322   2HD   ARG  37          1HD       ARG  37   0.103  -3.904   2.450
  323    HE   ARG  37           HE       ARG  37  -0.217  -4.792  -0.329
  324   1HH1  ARG  37          1HH1      ARG  37   0.001  -5.864   3.073
  325   2HH1  ARG  37          2HH1      ARG  37  -0.782  -7.382   2.750
  326   1HH2  ARG  37          2HH2      ARG  37  -1.237  -6.769  -0.712
  327   2HH2  ARG  37          1HH2      ARG  37  -1.547  -7.882   0.593
  328    H    GLY  38           H        GLY  38   1.524   0.292  -1.345
  329   1HA   GLY  38          2HA       GLY  38   3.244  -0.050  -3.603
  330   2HA   GLY  38          1HA       GLY  38   1.931   1.018  -4.073
  331    H    CYS  39           H        CYS  39   3.918   2.452  -4.331
  332    HA   CYS  39           HA       CYS  39   5.062   3.519  -1.832
  333   1HB   CYS  39          1HB       CYS  39   5.958   3.504  -4.720
  334   2HB   CYS  39          2HB       CYS  39   6.810   4.309  -3.402
  335    H    GLY  40           H        GLY  40   5.479   5.757  -1.664
  336   1HA   GLY  40          2HA       GLY  40   4.479   7.706  -1.167
  337   2HA   GLY  40          1HA       GLY  40   5.120   8.087  -2.698
  338    H    CYS  41           H        CYS  41   2.534   6.848  -0.815
  339    HA   CYS  41           HA       CYS  41   0.228   6.345  -1.673
  340   1HB   CYS  41          1HB       CYS  41   0.916   7.038   0.613
  341   2HB   CYS  41          2HB       CYS  41   0.636   8.711   0.153
  342    HA   PRO  42           HA       PRO  42  -1.233   9.650  -4.420
  343   1HB   PRO  42          1HB       PRO  42  -1.889   8.212  -6.603
  344   2HB   PRO  42          2HB       PRO  42  -0.183   8.524  -6.193
  345   1HG   PRO  42          1HG       PRO  42  -1.830   6.037  -5.624
  346   2HG   PRO  42          2HG       PRO  42  -0.181   6.118  -6.307
  347   1HD   PRO  42          2HD       PRO  42  -0.823   5.726  -3.609
  348   2HD   PRO  42          1HD       PRO  42   0.755   6.366  -4.183
  349    H    THR  43           H        THR  43  -3.444   9.755  -5.544
  350    HA   THR  43           HA       THR  43  -5.527   9.067  -3.763
  351    HB   THR  43           HB       THR  43  -5.934   9.727  -6.695
  352    HG1  THR  43           HG1      THR  43  -5.414  11.907  -6.146
  353   1HG2  THR  43          2HG2      THR  43  -7.191  10.799  -4.118
  354   2HG2  THR  43          1HG2      THR  43  -7.648  11.274  -5.766
  355   3HG2  THR  43          3HG2      THR  43  -7.935   9.617  -5.219
  356    H    ALA  44           H        ALA  44  -7.411   7.683  -4.251
  357    HA   ALA  44           HA       ALA  44  -6.933   5.420  -6.127
  358   1HB   ALA  44          3HB       ALA  44  -7.967   5.274  -3.264
  359   2HB   ALA  44          2HB       ALA  44  -7.937   3.927  -4.425
  360   3HB   ALA  44          1HB       ALA  44  -6.415   4.642  -3.857
  361    H    MET  45           H        MET  45  -8.905   4.638  -7.066
  362    HA   MET  45           HA       MET  45 -11.065   6.633  -7.099
  363   1HB   MET  45          2HB       MET  45 -10.451   4.148  -8.757
  364   2HB   MET  45          1HB       MET  45 -11.840   5.217  -9.002
  365   1HG   MET  45          1HG       MET  45  -8.906   6.002  -9.240
  366   2HG   MET  45          2HG       MET  45 -10.047   5.730 -10.562
  367   1HE   MET  45          3HE       MET  45  -9.220   7.997 -11.626
  368   2HE   MET  45          2HE       MET  45  -9.267   9.556 -10.769
  369   3HE   MET  45          1HE       MET  45  -8.144   8.284 -10.233
  370    CH2  TRP  46           CH2      TRP  46 -20.483   4.347  -4.361
  371    H    TRP  46           H        TRP  46 -13.184   6.126  -6.646
  372    HA   TRP  46           HA       TRP  46 -13.658   4.453  -4.428
  373   1HB   TRP  46          1HB       TRP  46 -15.034   6.487  -5.422
  374   2HB   TRP  46          2HB       TRP  46 -15.746   5.290  -6.461
  375    HD1  TRP  46           HD1      TRP  46 -15.169   5.431  -2.595
  376    HE1  TRP  46           HE1      TRP  46 -17.422   4.878  -1.438
  377    HE3  TRP  46           HE3      TRP  46 -18.072   5.031  -6.707
  378    HZ2  TRP  46           HZ2      TRP  46 -20.129   4.321  -2.227
  379    HZ3  TRP  46           HZ3      TRP  46 -20.523   4.481  -6.516
  380    HH2  TRP  46           HH2      TRP  46 -21.537   4.123  -4.275
  381    HA   PRO  47           HA       PRO  47 -15.122   2.919  -3.508
  382   1HB   PRO  47          2HB       PRO  47 -15.495   0.433  -2.679
  383   2HB   PRO  47          1HB       PRO  47 -16.582   1.141  -3.900
  384   1HG   PRO  47          2HG       PRO  47 -14.160  -0.619  -4.441
  385   2HG   PRO  47          1HG       PRO  47 -15.836  -0.876  -5.012
  386   1HD   PRO  47          1HD       PRO  47 -13.944   0.435  -6.530
  387   2HD   PRO  47          2HD       PRO  47 -15.668   0.896  -6.572
  388    OH   TYR  48           OH       TYR  48 -10.643  -3.834  -5.925
  389    H    TYR  48           H        TYR  48 -12.112   2.322  -4.775
  390    HA   TYR  48           HA       TYR  48 -10.953   1.023  -2.404
  391   1HB   TYR  48          1HB       TYR  48  -9.709   2.178  -4.923
  392   2HB   TYR  48          2HB       TYR  48  -8.799   1.570  -3.549
  393    HD1  TYR  48           HD2      TYR  48  -9.042  -0.873  -2.879
  394    HD2  TYR  48           HD1      TYR  48 -10.846   0.684  -6.472
  395    HE1  TYR  48           HE2      TYR  48  -9.496  -3.181  -3.658
  396    HE2  TYR  48           HE1      TYR  48 -11.267  -1.624  -7.260
  397    HH   TYR  48           HH       TYR  48 -11.079  -3.875  -6.778
  398    H    GLN  49           H        GLN  49  -9.320   1.984  -1.177
  399    HA   GLN  49           HA       GLN  49  -9.034   4.904  -1.209
  400   1HB   GLN  49          1HB       GLN  49 -10.753   4.715   0.175
  401   2HB   GLN  49          2HB       GLN  49 -10.087   3.331   1.068
  402   1HG   GLN  49          2HG       GLN  49  -8.433   4.886   2.096
  403   2HG   GLN  49          1HG       GLN  49  -8.985   6.188   1.025
  404   1HE2  GLN  49          2HE2      GLN  49 -11.484   4.988   4.110
  405   2HE2  GLN  49          1HE2      GLN  49 -10.377   3.832   3.383
  406    H    THR  50           H        THR  50  -7.178   5.448  -0.630
  407    HA   THR  50           HA       THR  50  -5.044   3.458   0.049
  408    HB   THR  50           HB       THR  50  -3.664   5.676  -0.631
  409    HG1  THR  50           HG1      THR  50  -4.658   6.683  -2.358
  410   1HG2  THR  50          1HG2      THR  50  -3.402   3.444  -1.571
  411   2HG2  THR  50          3HG2      THR  50  -4.838   3.650  -2.578
  412   3HG2  THR  50          2HG2      THR  50  -3.395   4.657  -2.864
  413    H    GLU  51           H        GLU  51  -4.216   3.458   2.047
  414    HA   GLU  51           HA       GLU  51  -4.368   5.985   3.659
  415   1HB   GLU  51          2HB       GLU  51  -4.404   4.752   5.675
  416   2HB   GLU  51          1HB       GLU  51  -5.849   4.472   4.714
  417   1HG   GLU  51          1HG       GLU  51  -4.674   2.309   3.886
  418   2HG   GLU  51          2HG       GLU  51  -3.443   2.744   5.072
  419    H    CYS  52           H        CYS  52  -2.492   6.820   4.034
  420    HA   CYS  52           HA       CYS  52  -0.160   5.602   2.823
  421   1HB   CYS  52          2HB       CYS  52  -0.300   8.237   4.238
  422   2HB   CYS  52          1HB       CYS  52   0.727   7.784   2.887
  423    H    CYS  53           H        CYS  53   1.985   5.840   3.901
  424    HA   CYS  53           HA       CYS  53   2.164   6.413   6.725
  425   1HB   CYS  53          1HB       CYS  53   2.999   4.324   7.504
  426   2HB   CYS  53          2HB       CYS  53   1.444   3.990   6.725
  427    H    LYS  54           H        LYS  54   4.619   6.209   7.355
  428    HA   LYS  54           HA       LYS  54   6.430   6.432   5.069
  429   1HB   LYS  54          2HB       LYS  54   7.434   8.327   6.459
  430   2HB   LYS  54          1HB       LYS  54   6.060   8.724   5.420
  431   1HG   LYS  54          1HG       LYS  54   4.562   8.689   7.382
  432   2HG   LYS  54          2HG       LYS  54   5.924   8.215   8.428
  433   1HD   LYS  54          2HD       LYS  54   7.105  10.330   7.773
  434   2HD   LYS  54          1HD       LYS  54   5.697  10.808   6.814
  435   1HE   LYS  54          1HE       LYS  54   5.720  10.305   9.835
  436   2HE   LYS  54          2HE       LYS  54   5.743  11.893   9.051
  437   1HZ   LYS  54          1HZ       LYS  54   3.615  11.381   8.084
  438   2HZ   LYS  54          2HZ       LYS  54   3.579   9.921   8.849
  439   3HZ   LYS  54          3HZ       LYS  54   3.556  11.311   9.729
  440    H    GLY  55           H        GLY  55   8.523   5.900   5.671
  441   1HA   GLY  55          2HA       GLY  55  10.216   5.235   7.148
  442   2HA   GLY  55          1HA       GLY  55   9.113   4.765   8.387
  443    H    ASP  56           H        ASP  56  10.892   3.804   6.056
  444    HA   ASP  56           HA       ASP  56  11.105   1.945   4.552
  445   1HB   ASP  56          1HB       ASP  56  11.986   1.567   6.985
  446   2HB   ASP  56          2HB       ASP  56  10.618   0.484   7.183
  447    NH1  ARG  57           NH1      ARG  57  12.010  -3.623   7.074
  448    NH2  ARG  57           NH2      ARG  57  11.733  -5.633   8.184
  449    H    ARG  57           H        ARG  57  10.101  -0.668   4.926
  450    HA   ARG  57           HA       ARG  57   7.534  -0.664   3.783
  451   1HB   ARG  57          2HB       ARG  57   7.703  -3.031   3.936
  452   2HB   ARG  57          1HB       ARG  57   9.316  -2.398   3.669
  453   1HG   ARG  57          1HG       ARG  57   9.549  -2.529   6.298
  454   2HG   ARG  57          2HG       ARG  57   8.160  -3.611   6.198
  455   1HD   ARG  57          1HD       ARG  57   9.371  -5.026   4.558
  456   2HD   ARG  57          2HD       ARG  57  10.787  -3.975   4.676
  457    HE   ARG  57           HE       ARG  57   9.918  -6.028   6.527
  458   1HH1  ARG  57          1HH1      ARG  57  11.720  -2.948   6.369
  459   2HH1  ARG  57          2HH1      ARG  57  12.770  -3.372   7.687
  460   1HH2  ARG  57          1HH2      ARG  57  11.255  -6.517   8.287
  461   2HH2  ARG  57          2HH2      ARG  57  12.478  -5.396   8.822
  462    H    CYS  58           H        CYS  58   7.245   1.048   6.158
  463    HA   CYS  58           HA       CYS  58   5.649  -0.123   8.123
  464   1HB   CYS  58          1HB       CYS  58   4.438   2.054   8.113
  465   2HB   CYS  58          2HB       CYS  58   6.181   2.240   8.146
  466    H    ASN  59           H        ASN  59   4.943   0.303   4.690
  467    HA   ASN  59           HA       ASN  59   2.072   0.146   4.972
  468   1HB   ASN  59          2HB       ASN  59   1.999   0.306   2.636
  469   2HB   ASN  59          1HB       ASN  59   3.221   1.453   3.177
  470   1HD2  ASN  59          2HD2      ASN  59   4.136  -0.705   0.095
  471   2HD2  ASN  59          1HD2      ASN  59   2.963   0.498   0.541
  472    H    LYS  60           H        LYS  60   2.819  -1.988   6.326
  473    HA   LYS  60           HA       LYS  60   3.056  -4.421   4.755
  474   1HB   LYS  60          1HB       LYS  60   2.705  -5.567   6.877
  475   2HB   LYS  60          2HB       LYS  60   3.935  -4.301   7.018
  476   1HG   LYS  60          1HG       LYS  60   2.271  -2.797   8.095
  477   2HG   LYS  60          2HG       LYS  60   1.036  -4.058   7.921
  478   1HD   LYS  60          2HD       LYS  60   2.340  -5.565   9.379
  479   2HD   LYS  60          1HD       LYS  60   3.647  -4.373   9.473
  480   1HE   LYS  60          2HE       LYS  60   2.284  -4.282  11.504
  481   2HE   LYS  60          1HE       LYS  60   2.141  -2.765  10.602
  482   1HZ   LYS  60          1HZ       LYS  60   0.197  -4.970  10.555
  483   2HZ   LYS  60          3HZ       LYS  60   0.033  -3.561  11.393
  484   3HZ   LYS  60          2HZ       LYS  60   0.052  -3.542   9.746
   
  Start of MODEL           8
 Raw file had  484 H/Q atoms
  Start of MODEL    8
    1    NH1  ARG   1           NH1      ARG   1  11.028   5.407   4.157
    2    NH2  ARG   1           NH2      ARG   1  12.838   4.150   4.884
    3   1H    ARG   1          1H        ARG   1  14.105   2.425  -0.567
    4   2H    ARG   1          3H        ARG   1  13.042   3.392  -1.373
    5   3H    ARG   1          2H        ARG   1  14.018   4.039  -0.214
    6    HA   ARG   1           HA       ARG   1  12.944   2.730   1.470
    7   1HB   ARG   1          1HB       ARG   1  12.097   4.917   1.284
    8   2HB   ARG   1          2HB       ARG   1  11.396   4.628  -0.301
    9   1HG   ARG   1          1HG       ARG   1   9.756   4.969   1.510
   10   2HG   ARG   1          2HG       ARG   1   9.508   3.521   0.562
   11   1HD   ARG   1          2HD       ARG   1   9.252   3.495   3.189
   12   2HD   ARG   1          1HD       ARG   1   9.924   2.128   2.335
   13    HE   ARG   1           HE       ARG   1  11.921   2.417   3.376
   14   1HH1  ARG   1          2HH1      ARG   1  10.174   5.486   3.616
   15   2HH1  ARG   1          1HH1      ARG   1  11.323   6.225   4.683
   16   1HH2  ARG   1          1HH2      ARG   1  13.323   3.255   4.930
   17   2HH2  ARG   1          2HH2      ARG   1  13.164   4.916   5.454
   18    H    ILE   2           H        ILE   2  12.241   0.573   1.692
   19    HA   ILE   2           HA       ILE   2  11.142  -0.770  -0.682
   20    HB   ILE   2           HB       ILE   2  11.495  -1.758   2.184
   21   1HG1  ILE   2          2HG1      ILE   2  13.675  -1.170   1.279
   22   2HG1  ILE   2          1HG1      ILE   2  13.494  -2.920   1.353
   23   1HG2  ILE   2          1HG2      ILE   2  10.811  -3.211  -0.402
   24   2HG2  ILE   2          3HG2      ILE   2  11.420  -4.025   1.055
   25   3HG2  ILE   2          2HG2      ILE   2   9.886  -3.160   1.106
   26   1HD1  ILE   2          1HD1      ILE   2  12.925  -2.928  -1.099
   27   2HD1  ILE   2          2HD1      ILE   2  13.252  -1.177  -1.132
   28   3HD1  ILE   2          3HD1      ILE   2  14.548  -2.315  -0.730
   29    H    CYS   3           H        CYS   3   9.030  -1.010  -1.189
   30    HA   CYS   3           HA       CYS   3   7.000  -0.709   0.982
   31   1HB   CYS   3          2HB       CYS   3   6.898   0.381  -1.865
   32   2HB   CYS   3          1HB       CYS   3   5.563   0.416  -0.705
   33    OH   TYR   4           OH       TYR   4   6.263  -8.041   4.366
   34    H    TYR   4           H        TYR   4   5.261  -2.167   0.792
   35    HA   TYR   4           HA       TYR   4   5.647  -4.440  -1.032
   36   1HB   TYR   4          2HB       TYR   4   3.630  -3.673   1.113
   37   2HB   TYR   4          1HB       TYR   4   3.386  -5.078   0.095
   38    HD1  TYR   4           HD1      TYR   4   4.936  -7.023   0.159
   39    HD2  TYR   4           HD2      TYR   4   4.943  -3.877   3.111
   40    HE1  TYR   4           HE1      TYR   4   5.961  -8.559   1.799
   41    HE2  TYR   4           HE2      TYR   4   5.746  -5.482   4.804
   42    HH   TYR   4           HH       TYR   4   5.766  -8.863   4.243
   43    H    SER   5           H        SER   5   3.673  -5.132  -2.415
   44    HA   SER   5           HA       SER   5   1.873  -2.883  -3.051
   45   1HB   SER   5          1HB       SER   5   3.576  -4.271  -5.139
   46   2HB   SER   5          2HB       SER   5   2.296  -3.072  -5.431
   47    HG   SER   5           HG       SER   5   3.808  -1.980  -3.631
   48    H    HIS   6           H        HIS   6   2.407  -6.420  -3.418
   49    HA   HIS   6           HA       HIS   6  -0.127  -6.713  -4.746
   50   1HB   HIS   6          2HB       HIS   6   0.263  -8.964  -4.829
   51   2HB   HIS   6          1HB       HIS   6   1.874  -8.325  -4.788
   52    HD1  HIS   6           HD1      HIS   6  -0.233 -10.810  -3.289
   53    HD2  HIS   6           HD2      HIS   6   3.259  -8.758  -2.230
   54    HE1  HIS   6           HE1      HIS   6   0.847 -12.102  -1.401
   55    H    LYS   7           H        LYS   7  -1.461  -8.735  -3.694
   56    HA   LYS   7           HA       LYS   7  -3.323  -7.474  -2.000
   57   1HB   LYS   7          2HB       LYS   7  -4.489  -9.604  -2.055
   58   2HB   LYS   7          1HB       LYS   7  -3.904  -9.178  -3.652
   59   1HG   LYS   7          1HG       LYS   7  -2.579 -10.999  -3.809
   60   2HG   LYS   7          2HG       LYS   7  -1.966 -10.859  -2.150
   61   1HD   LYS   7          1HD       LYS   7  -4.754 -11.892  -2.725
   62   2HD   LYS   7          2HD       LYS   7  -3.330 -12.943  -2.709
   63   1HE   LYS   7          1HE       LYS   7  -2.795 -12.299  -0.395
   64   2HE   LYS   7          2HE       LYS   7  -4.169 -11.186  -0.349
   65   1HZ   LYS   7          2HZ       LYS   7  -4.346 -14.088  -0.720
   66   2HZ   LYS   7          3HZ       LYS   7  -4.690 -13.256   0.660
   67   3HZ   LYS   7          1HZ       LYS   7  -5.620 -13.042  -0.681
   68    H    ALA   8           H        ALA   8  -0.369  -8.692  -0.825
   69    HA   ALA   8           HA       ALA   8  -1.393  -8.654   1.863
   70   1HB   ALA   8          1HB       ALA   8  -0.356 -11.302   0.748
   71   2HB   ALA   8          3HB       ALA   8  -0.633 -10.951   2.466
   72   3HB   ALA   8          2HB       ALA   8  -2.000 -10.977   1.350
   73    H    SER   9           H        SER   9   0.417  -9.047   3.411
   74    HA   SER   9           HA       SER   9   2.770  -7.620   2.606
   75   1HB   SER   9          2HB       SER   9   2.842  -8.777   5.294
   76   2HB   SER   9          1HB       SER   9   2.698  -7.101   4.789
   77    HG   SER   9           HG       SER   9   0.561  -7.263   4.916
   78    H    LEU  10           H        LEU  10   2.798  -9.938   1.040
   79    HA   LEU  10           HA       LEU  10   4.923 -11.647   2.305
   80   1HB   LEU  10          2HB       LEU  10   2.889 -12.419   0.183
   81   2HB   LEU  10          1HB       LEU  10   4.094 -13.478   0.879
   82    HG   LEU  10           HG       LEU  10   1.765 -12.219   2.397
   83   1HD1  LEU  10          2HD2      LEU  10   1.071 -13.920   0.756
   84   2HD1  LEU  10          1HD2      LEU  10   2.235 -15.072   1.446
   85   3HD1  LEU  10          3HD2      LEU  10   0.862 -14.500   2.417
   86   1HD2  LEU  10          2HD1      LEU  10   3.872 -14.249   3.276
   87   2HD2  LEU  10          3HD1      LEU  10   3.651 -12.610   3.929
   88   3HD2  LEU  10          1HD1      LEU  10   2.407 -13.834   4.190
   89    HA   PRO  11           HA       PRO  11   7.373 -10.203  -1.051
   90   1HB   PRO  11          1HB       PRO  11   8.991 -12.218  -1.758
   91   2HB   PRO  11          2HB       PRO  11   9.167 -11.352  -0.200
   92   1HG   PRO  11          2HG       PRO  11   7.769 -14.003  -0.666
   93   2HG   PRO  11          1HG       PRO  11   8.928 -13.592   0.631
   94   1HD   PRO  11          2HD       PRO  11   6.247 -13.537   1.044
   95   2HD   PRO  11          1HD       PRO  11   7.298 -12.301   1.786
   96    NH1  ARG  12           NH1      ARG  12   3.988 -10.225  -8.817
   97    NH2  ARG  12           NH2      ARG  12   6.197  -9.540  -8.693
   98    H    ARG  12           H        ARG  12   6.602  -9.822  -2.953
   99    HA   ARG  12           HA       ARG  12   6.388 -11.489  -5.115
  100   1HB   ARG  12          2HB       ARG  12   4.407 -12.511  -4.083
  101   2HB   ARG  12          1HB       ARG  12   3.638 -10.948  -3.912
  102   1HG   ARG  12          2HG       ARG  12   2.812 -12.456  -5.734
  103   2HG   ARG  12          1HG       ARG  12   3.193 -10.843  -6.291
  104   1HD   ARG  12          1HD       ARG  12   5.099 -13.212  -6.528
  105   2HD   ARG  12          2HD       ARG  12   3.948 -12.781  -7.786
  106    HE   ARG  12           HE       ARG  12   6.479 -11.536  -7.242
  107   1HH1  ARG  12          1HH1      ARG  12   3.269 -10.881  -8.554
  108   2HH1  ARG  12          2HH1      ARG  12   3.767  -9.469  -9.446
  109   1HH2  ARG  12          1HH2      ARG  12   7.124  -9.650  -8.307
  110   2HH2  ARG  12          2HH2      ARG  12   6.015  -8.775  -9.326
  111    H    ALA  13           H        ALA  13   3.727  -9.249  -5.308
  112    HA   ALA  13           HA       ALA  13   5.442  -7.394  -6.739
  113   1HB   ALA  13          2HB       ALA  13   2.957  -7.807  -7.236
  114   2HB   ALA  13          1HB       ALA  13   2.628  -6.686  -5.890
  115   3HB   ALA  13          3HB       ALA  13   3.572  -6.147  -7.266
  116    H    THR  14           H        THR  14   6.872  -6.324  -5.646
  117    HA   THR  14           HA       THR  14   6.332  -4.745  -3.244
  118    HB   THR  14           HB       THR  14   8.647  -5.620  -2.466
  119    HG1  THR  14           HG1      THR  14   7.956  -7.710  -4.297
  120   1HG2  THR  14          1HG2      THR  14   6.325  -7.615  -2.458
  121   2HG2  THR  14          3HG2      THR  14   7.779  -7.711  -1.444
  122   3HG2  THR  14          2HG2      THR  14   6.668  -6.356  -1.256
  123    H    LYS  15           H        LYS  15   8.039  -2.965  -3.216
  124    HA   LYS  15           HA       LYS  15   9.798  -2.856  -5.579
  125   1HB   LYS  15          2HB       LYS  15   8.790  -0.678  -6.357
  126   2HB   LYS  15          1HB       LYS  15   7.812  -2.118  -6.646
  127   1HG   LYS  15          1HG       LYS  15   6.381  -1.586  -4.710
  128   2HG   LYS  15          2HG       LYS  15   7.411  -0.225  -4.282
  129   1HD   LYS  15          2HD       LYS  15   5.332   0.457  -5.437
  130   2HD   LYS  15          1HD       LYS  15   6.795   0.994  -6.279
  131   1HE   LYS  15          1HE       LYS  15   4.977   0.135  -7.784
  132   2HE   LYS  15          2HE       LYS  15   6.524  -0.690  -7.997
  133   1HZ   LYS  15          2HZ       LYS  15   4.327  -1.722  -6.336
  134   2HZ   LYS  15          1HZ       LYS  15   4.611  -2.174  -7.903
  135   3HZ   LYS  15          3HZ       LYS  15   5.718  -2.495  -6.725
  136    H    THR  16           H        THR  16  11.304  -1.281  -5.601
  137    HA   THR  16           HA       THR  16  12.036  -0.106  -3.015
  138    HB   THR  16           HB       THR  16  13.499  -0.076  -5.694
  139    HG1  THR  16           HG1      THR  16  13.493  -1.970  -3.582
  140   1HG2  THR  16          2HG2      THR  16  14.479   0.217  -2.809
  141   2HG2  THR  16          3HG2      THR  16  15.493   0.192  -4.264
  142   3HG2  THR  16          1HG2      THR  16  14.361   1.530  -4.006
  143    H    CYS  17           H        CYS  17  10.641   1.605  -2.709
  144    HA   CYS  17           HA       CYS  17   9.937   3.507  -4.797
  145   1HB   CYS  17          1HB       CYS  17   8.630   2.798  -2.623
  146   2HB   CYS  17          2HB       CYS  17   9.735   4.020  -1.924
  147    H    VAL  18           H        VAL  18  10.250   5.736  -4.319
  148    HA   VAL  18           HA       VAL  18  13.026   6.534  -3.594
  149    HB   VAL  18           HB       VAL  18  12.385   8.525  -5.047
  150   1HG1  VAL  18          2HG1      VAL  18  14.016   6.797  -5.727
  151   2HG1  VAL  18          3HG1      VAL  18  12.698   5.795  -6.372
  152   3HG1  VAL  18          1HG1      VAL  18  13.081   7.358  -7.123
  153   1HG2  VAL  18          3HG2      VAL  18   9.952   8.157  -5.318
  154   2HG2  VAL  18          1HG2      VAL  18  10.800   8.213  -6.861
  155   3HG2  VAL  18          2HG2      VAL  18  10.283   6.654  -6.213
  156    H    GLU  19           H        GLU  19   9.550   7.261  -3.378
  157    HA   GLU  19           HA       GLU  19   9.847   9.555  -1.659
  158   1HB   GLU  19          1HB       GLU  19   7.557   7.692  -2.424
  159   2HB   GLU  19          2HB       GLU  19   7.355   8.716  -1.025
  160   1HG   GLU  19          1HG       GLU  19   8.075   9.697  -3.788
  161   2HG   GLU  19          2HG       GLU  19   6.460   9.768  -3.077
  162    H    ASN  20           H        ASN  20   9.620   9.661   0.560
  163    HA   ASN  20           HA       ASN  20  10.700   7.447   2.068
  164   1HB   ASN  20          2HB       ASN  20  11.113   9.740   2.765
  165   2HB   ASN  20          1HB       ASN  20   9.378  10.070   2.877
  166   1HD2  ASN  20          2HD2      ASN  20   9.208   8.997   6.224
  167   2HD2  ASN  20          1HD2      ASN  20   8.503   9.934   4.922
  168    H    THR  21           H        THR  21   7.433   8.332   1.029
  169    HA   THR  21           HA       THR  21   6.218   6.761   3.199
  170    HB   THR  21           HB       THR  21   4.136   7.790   2.117
  171    HG1  THR  21           HG1      THR  21   4.690   9.694   0.867
  172   1HG2  THR  21          1HG2      THR  21   5.145   8.655   4.208
  173   2HG2  THR  21          2HG2      THR  21   6.254   9.673   3.262
  174   3HG2  THR  21          3HG2      THR  21   4.505   9.973   3.211
  175    H    CYS  22           H        CYS  22   4.805   5.155   2.810
  176    HA   CYS  22           HA       CYS  22   4.589   3.966   0.094
  177   1HB   CYS  22          1HB       CYS  22   4.491   2.362   2.667
  178   2HB   CYS  22          2HB       CYS  22   4.500   1.796   1.014
  179    OH   TYR  23           OH       TYR  23  -0.809   2.146  -5.288
  180    H    TYR  23           H        TYR  23   2.461   2.681   0.112
  181    HA   TYR  23           HA       TYR  23   0.490   3.757   2.076
  182   1HB   TYR  23          1HB       TYR  23  -1.184   4.033   0.405
  183   2HB   TYR  23          2HB       TYR  23   0.227   4.977   0.028
  184    HD1  TYR  23           HD1      TYR  23  -1.751   1.945  -0.853
  185    HD2  TYR  23           HD2      TYR  23   1.470   4.505  -2.136
  186    HE1  TYR  23           HE1      TYR  23  -2.049   1.162  -3.172
  187    HE2  TYR  23           HE2      TYR  23   0.999   3.896  -4.489
  188    HH   TYR  23           HH       TYR  23  -1.477   1.456  -5.394
  189    H    LYS  24           H        LYS  24  -1.322   2.555   2.205
  190    HA   LYS  24           HA       LYS  24  -1.315  -0.189   1.121
  191   1HB   LYS  24          1HB       LYS  24  -2.470  -0.799   3.375
  192   2HB   LYS  24          2HB       LYS  24  -0.702  -0.780   3.219
  193   1HG   LYS  24          2HG       LYS  24  -0.455   1.171   4.498
  194   2HG   LYS  24          1HG       LYS  24  -2.142   1.634   4.268
  195   1HD   LYS  24          1HD       LYS  24  -1.819   0.782   6.544
  196   2HD   LYS  24          2HD       LYS  24  -2.917  -0.253   5.619
  197   1HE   LYS  24          2HE       LYS  24  -1.014  -1.837   5.163
  198   2HE   LYS  24          1HE       LYS  24   0.044  -0.820   6.154
  199   1HZ   LYS  24          3HZ       LYS  24  -2.401  -2.137   7.088
  200   2HZ   LYS  24          2HZ       LYS  24  -0.876  -2.746   7.209
  201   3HZ   LYS  24          1HZ       LYS  24  -1.281  -1.353   8.021
  202    H    MET  25           H        MET  25  -3.155  -0.570   0.146
  203    HA   MET  25           HA       MET  25  -5.316   1.475   0.155
  204   1HB   MET  25          2HB       MET  25  -4.008   1.488  -1.878
  205   2HB   MET  25          1HB       MET  25  -4.298  -0.240  -2.023
  206   1HG   MET  25          1HG       MET  25  -6.762   0.234  -2.206
  207   2HG   MET  25          2HG       MET  25  -6.399   1.959  -2.185
  208   1HE   MET  25          1HE       MET  25  -4.027   2.426  -4.068
  209   2HE   MET  25          2HE       MET  25  -4.740   2.440  -5.693
  210   3HE   MET  25          3HE       MET  25  -5.571   3.270  -4.360
  211    H    PHE  26           H        PHE  26  -7.353   0.810   0.497
  212    HA   PHE  26           HA       PHE  26  -7.981  -2.108   0.516
  213   1HB   PHE  26          1HB       PHE  26  -9.447  -1.493   2.515
  214   2HB   PHE  26          2HB       PHE  26  -7.727  -1.665   2.788
  215    HD1  PHE  26           HD2      PHE  26  -6.213   0.262   3.047
  216    HD2  PHE  26           HD1      PHE  26 -10.479   0.822   2.763
  217    HE1  PHE  26           HE2      PHE  26  -5.995   2.618   3.708
  218    HE2  PHE  26           HE1      PHE  26 -10.261   3.002   3.917
  219    HZ   PHE  26           HZ       PHE  26  -7.946   3.889   4.463
  220    H    ILE  27           H        ILE  27  -9.963  -2.613  -0.341
  221    HA   ILE  27           HA       ILE  27 -11.306  -0.607  -1.894
  222    HB   ILE  27           HB       ILE  27 -12.138  -3.362  -0.940
  223   1HG1  ILE  27          2HG1      ILE  27 -11.372  -2.248  -3.679
  224   2HG1  ILE  27          1HG1      ILE  27 -10.254  -3.118  -2.621
  225   1HG2  ILE  27          1HG2      ILE  27 -14.175  -1.926  -1.346
  226   2HG2  ILE  27          2HG2      ILE  27 -13.617  -1.677  -3.008
  227   3HG2  ILE  27          3HG2      ILE  27 -14.053  -3.298  -2.430
  228   1HD1  ILE  27          3HD1      ILE  27 -11.689  -5.146  -2.804
  229   2HD1  ILE  27          1HD1      ILE  27 -12.729  -4.280  -3.959
  230   3HD1  ILE  27          2HD1      ILE  27 -11.036  -4.594  -4.354
  231    NH1  ARG  28           NH2      ARG  28 -14.735   7.377  -2.041
  232    NH2  ARG  28           NH1      ARG  28 -12.602   6.816  -2.754
  233    H    ARG  28           H        ARG  28 -12.886   0.744  -1.358
  234    HA   ARG  28           HA       ARG  28 -12.887   1.740   1.225
  235   1HB   ARG  28          1HB       ARG  28 -13.363   2.840  -1.057
  236   2HB   ARG  28          2HB       ARG  28 -15.035   2.280  -0.900
  237   1HG   ARG  28          2HG       ARG  28 -15.270   3.626   1.172
  238   2HG   ARG  28          1HG       ARG  28 -13.561   4.080   1.072
  239   1HD   ARG  28          1HD       ARG  28 -15.719   4.790  -0.949
  240   2HD   ARG  28          2HD       ARG  28 -15.035   5.872   0.277
  241    HE   ARG  28           HE       ARG  28 -12.922   4.807  -1.354
  242   1HH1  ARG  28          2HH2      ARG  28 -15.552   7.163  -1.490
  243   2HH1  ARG  28          1HH2      ARG  28 -14.709   8.228  -2.583
  244   1HH2  ARG  28          2HH1      ARG  28 -11.814   6.171  -2.742
  245   2HH2  ARG  28          1HH1      ARG  28 -12.501   7.674  -3.276
  246    H    THR  29           H        THR  29 -15.131  -0.657  -0.032
  247    HA   THR  29           HA       THR  29 -17.129  -0.226   2.042
  248    HB   THR  29           HB       THR  29 -17.856  -2.527   1.185
  249    HG1  THR  29           HG1      THR  29 -16.779  -3.152  -0.765
  250   1HG2  THR  29          3HG2      THR  29 -18.795  -0.413   0.269
  251   2HG2  THR  29          1HG2      THR  29 -17.470  -0.330  -0.911
  252   3HG2  THR  29          2HG2      THR  29 -18.648  -1.656  -0.987
  253    H    HIS  30           H        HIS  30 -14.945  -2.926   1.342
  254    HA   HIS  30           HA       HIS  30 -14.995  -3.741   4.224
  255   1HB   HIS  30          2HB       HIS  30 -13.895  -5.783   3.484
  256   2HB   HIS  30          1HB       HIS  30 -15.461  -5.513   2.717
  257    HD1  HIS  30           HD1      HIS  30 -11.765  -5.019   1.897
  258    HD2  HIS  30           HD2      HIS  30 -15.387  -5.921   0.004
  259    HE1  HIS  30           HE1      HIS  30 -11.214  -5.795  -0.488
  260    NH1  ARG  31           NH2      ARG  31 -12.420   3.875   5.548
  261    NH2  ARG  31           NH1      ARG  31 -13.888   3.426   3.842
  262    H    ARG  31           H        ARG  31 -13.922  -1.502   4.350
  263    HA   ARG  31           HA       ARG  31 -11.285  -1.105   3.630
  264   1HB   ARG  31          1HB       ARG  31 -11.262   0.603   5.404
  265   2HB   ARG  31          2HB       ARG  31 -12.687   0.635   4.366
  266   1HG   ARG  31          1HG       ARG  31 -14.004  -0.502   6.189
  267   2HG   ARG  31          2HG       ARG  31 -12.553  -0.501   7.213
  268   1HD   ARG  31          1HD       ARG  31 -14.121   1.379   7.712
  269   2HD   ARG  31          2HD       ARG  31 -12.506   1.916   7.244
  270    HE   ARG  31           HE       ARG  31 -14.881   1.789   5.401
  271   1HH1  ARG  31          2HH2      ARG  31 -12.087   3.740   6.489
  272   2HH1  ARG  31          1HH2      ARG  31 -11.979   4.559   4.940
  273   1HH2  ARG  31          2HH1      ARG  31 -14.562   2.800   3.406
  274   2HH2  ARG  31          1HH1      ARG  31 -13.409   4.131   3.296
  275    H    GLU  32           H        GLU  32 -12.439  -3.116   6.272
  276    HA   GLU  32           HA       GLU  32  -9.911  -3.208   7.673
  277   1HB   GLU  32          1HB       GLU  32 -12.369  -5.023   7.824
  278   2HB   GLU  32          2HB       GLU  32 -11.049  -4.919   8.995
  279   1HG   GLU  32          1HG       GLU  32 -11.590  -2.484   9.329
  280   2HG   GLU  32          2HG       GLU  32 -13.037  -2.701   8.330
  281    OH   TYR  33           OH       TYR  33  -6.057  -8.913  -0.080
  282    H    TYR  33           H        TYR  33  -9.525  -3.783   4.931
  283    HA   TYR  33           HA       TYR  33  -7.914  -6.145   5.173
  284   1HB   TYR  33          2HB       TYR  33  -9.934  -7.298   4.572
  285   2HB   TYR  33          1HB       TYR  33 -10.301  -6.142   3.287
  286    HD1  TYR  33           HD2      TYR  33  -7.273  -8.229   4.251
  287    HD2  TYR  33           HD1      TYR  33  -9.982  -7.002   1.133
  288    HE1  TYR  33           HE2      TYR  33  -5.694  -9.070   2.542
  289    HE2  TYR  33           HE1      TYR  33  -8.445  -7.940  -0.567
  290    HH   TYR  33           HH       TYR  33  -5.143  -8.914   0.236
  291    H    ILE  34           H        ILE  34  -6.057  -5.511   4.220
  292    HA   ILE  34           HA       ILE  34  -6.009  -3.194   2.436
  293    HB   ILE  34           HB       ILE  34  -3.769  -5.035   3.330
  294   1HG1  ILE  34          1HG1      ILE  34  -4.669  -4.166   5.350
  295   2HG1  ILE  34          2HG1      ILE  34  -3.223  -3.242   4.971
  296   1HG2  ILE  34          3HG2      ILE  34  -3.800  -2.209   2.162
  297   2HG2  ILE  34          1HG2      ILE  34  -2.355  -3.077   2.745
  298   3HG2  ILE  34          2HG2      ILE  34  -3.253  -3.669   1.343
  299   1HD1  ILE  34          3HD1      ILE  34  -4.689  -1.383   4.097
  300   2HD1  ILE  34          1HD1      ILE  34  -6.113  -2.322   4.599
  301   3HD1  ILE  34          2HD1      ILE  34  -4.953  -1.762   5.805
  302    H    SER  35           H        SER  35  -6.497  -3.435   0.395
  303    HA   SER  35           HA       SER  35  -6.650  -6.074  -0.893
  304   1HB   SER  35          1HB       SER  35  -7.477  -3.380  -2.021
  305   2HB   SER  35          2HB       SER  35  -8.100  -4.989  -2.422
  306    HG   SER  35           HG       SER  35  -8.512  -4.692   0.160
  307    H    GLU  36           H        GLU  36  -4.748  -3.071  -1.070
  308    HA   GLU  36           HA       GLU  36  -2.864  -4.293  -2.966
  309   1HB   GLU  36          1HB       GLU  36  -4.349  -3.265  -4.560
  310   2HB   GLU  36          2HB       GLU  36  -4.583  -1.841  -3.553
  311   1HG   GLU  36          2HG       GLU  36  -2.209  -1.166  -3.965
  312   2HG   GLU  36          1HG       GLU  36  -2.029  -2.554  -5.057
  313    NH1  ARG  37           NH1      ARG  37  -1.424  -5.960   2.634
  314    NH2  ARG  37           NH2      ARG  37  -2.381  -6.077   0.516
  315    H    ARG  37           H        ARG  37  -0.859  -2.862  -2.996
  316    HA   ARG  37           HA       ARG  37  -0.715  -0.840  -0.832
  317   1HB   ARG  37          1HB       ARG  37   0.811  -3.452  -1.043
  318   2HB   ARG  37          2HB       ARG  37   1.644  -2.018  -0.445
  319   1HG   ARG  37          1HG       ARG  37   0.556  -1.894   1.476
  320   2HG   ARG  37          2HG       ARG  37  -0.954  -2.545   0.848
  321   1HD   ARG  37          1HD       ARG  37   1.498  -4.285   1.311
  322   2HD   ARG  37          2HD       ARG  37   0.222  -4.025   2.491
  323    HE   ARG  37           HE       ARG  37  -0.272  -5.144  -0.258
  324   1HH1  ARG  37          1HH1      ARG  37  -0.642  -5.716   3.254
  325   2HH1  ARG  37          2HH1      ARG  37  -2.218  -6.425   3.041
  326   1HH2  ARG  37          1HH2      ARG  37  -2.235  -5.968  -0.482
  327   2HH2  ARG  37          2HH2      ARG  37  -3.259  -6.454   0.868
  328    H    GLY  38           H        GLY  38   1.453   0.376  -1.075
  329   1HA   GLY  38          2HA       GLY  38   2.931   0.030  -3.492
  330   2HA   GLY  38          1HA       GLY  38   1.703   1.225  -3.828
  331    H    CYS  39           H        CYS  39   3.640   2.397  -4.343
  332    HA   CYS  39           HA       CYS  39   5.448   3.430  -2.274
  333   1HB   CYS  39          1HB       CYS  39   6.482   2.411  -4.090
  334   2HB   CYS  39          2HB       CYS  39   5.341   3.125  -5.212
  335    H    GLY  40           H        GLY  40   5.696   5.703  -1.855
  336   1HA   GLY  40          1HA       GLY  40   5.060   7.843  -1.615
  337   2HA   GLY  40          2HA       GLY  40   5.069   7.865  -3.354
  338    H    CYS  41           H        CYS  41   3.283   7.083  -0.848
  339    HA   CYS  41           HA       CYS  41   0.732   6.442  -1.348
  340   1HB   CYS  41          1HB       CYS  41   1.618   6.864   0.908
  341   2HB   CYS  41          2HB       CYS  41   1.431   8.600   0.642
  342    HA   PRO  42           HA       PRO  42  -1.061   9.989  -3.549
  343   1HB   PRO  42          1HB       PRO  42  -2.135   8.732  -5.667
  344   2HB   PRO  42          2HB       PRO  42  -0.360   8.833  -5.503
  345   1HG   PRO  42          2HG       PRO  42  -2.172   6.514  -4.755
  346   2HG   PRO  42          1HG       PRO  42  -0.661   6.459  -5.707
  347   1HD   PRO  42          1HD       PRO  42  -0.877   6.015  -2.947
  348   2HD   PRO  42          2HD       PRO  42   0.635   6.506  -3.778
  349    H    THR  43           H        THR  43  -3.481  10.071  -4.442
  350    HA   THR  43           HA       THR  43  -5.251   9.272  -2.231
  351    HB   THR  43           HB       THR  43  -5.475  11.471  -3.295
  352    HG1  THR  43           HG1      THR  43  -7.712  11.357  -3.474
  353   1HG2  THR  43          2HG2      THR  43  -4.929  10.885  -5.674
  354   2HG2  THR  43          1HG2      THR  43  -6.435   9.950  -5.778
  355   3HG2  THR  43          3HG2      THR  43  -6.489  11.702  -5.535
  356    H    ALA  44           H        ALA  44  -7.554   8.619  -3.468
  357    HA   ALA  44           HA       ALA  44  -7.171   6.354  -5.299
  358   1HB   ALA  44          1HB       ALA  44  -8.095   5.920  -2.441
  359   2HB   ALA  44          3HB       ALA  44  -8.176   4.702  -3.736
  360   3HB   ALA  44          2HB       ALA  44  -6.602   5.291  -3.166
  361    H    MET  45           H        MET  45  -8.922   6.249  -6.592
  362    HA   MET  45           HA       MET  45 -11.224   7.965  -6.057
  363   1HB   MET  45          1HB       MET  45 -10.529   6.078  -8.358
  364   2HB   MET  45          2HB       MET  45 -11.859   7.243  -8.331
  365   1HG   MET  45          1HG       MET  45  -8.896   7.928  -8.235
  366   2HG   MET  45          2HG       MET  45  -9.980   8.117  -9.611
  367   1HE   MET  45          1HE       MET  45  -9.018  10.562  -9.885
  368   2HE   MET  45          2HE       MET  45  -9.061  11.784  -8.593
  369   3HE   MET  45          3HE       MET  45  -8.010  10.358  -8.428
  370    CH2  TRP  46           CH2      TRP  46 -20.215   3.208  -6.820
  371    H    TRP  46           H        TRP  46 -13.429   6.978  -6.513
  372    HA   TRP  46           HA       TRP  46 -13.959   4.973  -4.583
  373   1HB   TRP  46          1HB       TRP  46 -15.579   6.767  -5.544
  374   2HB   TRP  46          2HB       TRP  46 -15.645   5.790  -6.974
  375    HD1  TRP  46           HD1      TRP  46 -16.218   5.043  -3.193
  376    HE1  TRP  46           HE1      TRP  46 -18.423   3.683  -2.977
  377    HE3  TRP  46           HE3      TRP  46 -17.578   5.041  -8.035
  378    HZ2  TRP  46           HZ2      TRP  46 -20.487   2.715  -4.732
  379    HZ3  TRP  46           HZ3      TRP  46 -19.689   3.888  -8.802
  380    HH2  TRP  46           HH2      TRP  46 -21.127   2.725  -7.141
  381    HA   PRO  47           HA       PRO  47 -14.861   3.117  -4.014
  382   1HB   PRO  47          2HB       PRO  47 -15.474   0.558  -3.800
  383   2HB   PRO  47          1HB       PRO  47 -16.328   1.551  -5.009
  384   1HG   PRO  47          2HG       PRO  47 -13.924  -0.248  -5.500
  385   2HG   PRO  47          1HG       PRO  47 -15.483  -0.250  -6.373
  386   1HD   PRO  47          1HD       PRO  47 -13.242   1.183  -7.212
  387   2HD   PRO  47          2HD       PRO  47 -14.916   1.680  -7.565
  388    OH   TYR  48           OH       TYR  48  -9.910  -2.573  -7.131
  389    H    TYR  48           H        TYR  48 -12.043   3.579  -4.293
  390    HA   TYR  48           HA       TYR  48 -10.935   1.521  -2.414
  391   1HB   TYR  48          1HB       TYR  48  -9.602   3.014  -4.703
  392   2HB   TYR  48          2HB       TYR  48  -8.740   2.144  -3.435
  393    HD1  TYR  48           HD2      TYR  48  -8.758  -0.321  -3.349
  394    HD2  TYR  48           HD1      TYR  48 -10.874   1.815  -6.437
  395    HE1  TYR  48           HE2      TYR  48  -8.751  -2.355  -4.756
  396    HE2  TYR  48           HE1      TYR  48 -10.972  -0.264  -7.796
  397    HH   TYR  48           HH       TYR  48  -9.445  -3.313  -6.736
  398    H    GLN  49           H        GLN  49  -9.513   2.282  -0.827
  399    HA   GLN  49           HA       GLN  49  -9.114   5.220  -0.638
  400   1HB   GLN  49          2HB       GLN  49 -10.694   3.557   1.145
  401   2HB   GLN  49          1HB       GLN  49  -9.414   4.472   1.962
  402   1HG   GLN  49          1HG       GLN  49 -10.197   6.564   0.955
  403   2HG   GLN  49          2HG       GLN  49 -11.433   5.685   0.041
  404   1HE2  GLN  49          2HE2      GLN  49 -13.426   6.976   2.751
  405   2HE2  GLN  49          1HE2      GLN  49 -12.830   7.364   1.146
  406    H    THR  50           H        THR  50  -7.019   5.694  -0.279
  407    HA   THR  50           HA       THR  50  -5.107   3.598   0.527
  408    HB   THR  50           HB       THR  50  -3.578   5.712  -0.058
  409    HG1  THR  50           HG1      THR  50  -4.496   7.031  -1.541
  410   1HG2  THR  50          3HG2      THR  50  -4.983   3.982  -2.120
  411   2HG2  THR  50          1HG2      THR  50  -3.513   4.945  -2.420
  412   3HG2  THR  50          2HG2      THR  50  -3.484   3.620  -1.242
  413    H    GLU  51           H        GLU  51  -3.839   3.776   2.347
  414    HA   GLU  51           HA       GLU  51  -3.959   6.283   3.928
  415   1HB   GLU  51          2HB       GLU  51  -4.293   5.257   5.974
  416   2HB   GLU  51          1HB       GLU  51  -5.579   4.668   4.921
  417   1HG   GLU  51          1HG       GLU  51  -4.053   2.601   4.528
  418   2HG   GLU  51          2HG       GLU  51  -3.057   3.318   5.793
  419    H    CYS  52           H        CYS  52  -1.947   6.906   4.552
  420    HA   CYS  52           HA       CYS  52   0.239   5.538   3.208
  421   1HB   CYS  52          2HB       CYS  52   0.328   8.067   4.805
  422   2HB   CYS  52          1HB       CYS  52   1.389   7.571   3.489
  423    H    CYS  53           H        CYS  53   2.391   5.459   4.244
  424    HA   CYS  53           HA       CYS  53   2.687   5.754   7.106
  425   1HB   CYS  53          2HB       CYS  53   3.444   3.514   7.587
  426   2HB   CYS  53          1HB       CYS  53   1.771   3.454   7.015
  427    H    LYS  54           H        LYS  54   5.123   5.325   7.619
  428    HA   LYS  54           HA       LYS  54   6.843   5.798   5.262
  429   1HB   LYS  54          1HB       LYS  54   8.145   7.174   6.921
  430   2HB   LYS  54          2HB       LYS  54   6.699   7.941   6.246
  431   1HG   LYS  54          2HG       LYS  54   5.454   7.526   8.289
  432   2HG   LYS  54          1HG       LYS  54   6.778   6.578   8.987
  433   1HD   LYS  54          2HD       LYS  54   7.005   9.526   8.214
  434   2HD   LYS  54          1HD       LYS  54   6.521   8.957   9.818
  435   1HE   LYS  54          2HE       LYS  54   8.669   7.732  10.062
  436   2HE   LYS  54          1HE       LYS  54   9.210   8.355   8.495
  437   1HZ   LYS  54          1HZ       LYS  54   8.516   9.982  10.831
  438   2HZ   LYS  54          2HZ       LYS  54  10.035   9.657  10.284
  439   3HZ   LYS  54          3HZ       LYS  54   9.008  10.564   9.369
  440    H    GLY  55           H        GLY  55   8.896   4.896   5.477
  441   1HA   GLY  55          2HA       GLY  55  10.608   3.786   6.709
  442   2HA   GLY  55          1HA       GLY  55   9.436   3.036   7.782
  443    H    ASP  56           H        ASP  56  11.476   1.726   6.233
  444    HA   ASP  56           HA       ASP  56  10.509   0.576   3.854
  445   1HB   ASP  56          1HB       ASP  56  12.284  -0.644   5.838
  446   2HB   ASP  56          2HB       ASP  56  12.154  -1.142   4.185
  447    NH1  ARG  57           NH1      ARG  57  10.526  -7.078   6.114
  448    NH2  ARG  57           NH2      ARG  57   9.069  -8.345   4.823
  449    H    ARG  57           H        ARG  57   9.500  -1.241   3.448
  450    HA   ARG  57           HA       ARG  57   7.516  -2.312   3.502
  451   1HB   ARG  57          2HB       ARG  57   7.865  -4.402   4.313
  452   2HB   ARG  57          1HB       ARG  57   9.462  -3.838   3.957
  453   1HG   ARG  57          1HG       ARG  57  10.183  -4.343   5.997
  454   2HG   ARG  57          2HG       ARG  57   9.036  -3.238   6.735
  455   1HD   ARG  57          2HD       ARG  57   8.795  -5.495   7.673
  456   2HD   ARG  57          1HD       ARG  57   7.328  -4.924   6.891
  457    HE   ARG  57           HE       ARG  57   7.393  -6.695   5.477
  458   1HH1  ARG  57          2HH1      ARG  57  10.674  -6.279   6.711
  459   2HH1  ARG  57          1HH1      ARG  57  11.289  -7.709   5.923
  460   1HH2  ARG  57          2HH2      ARG  57   8.123  -8.473   4.479
  461   2HH2  ARG  57          1HH2      ARG  57   9.790  -9.012   4.592
  462    H    CYS  58           H        CYS  58   7.358   0.092   5.406
  463    HA   CYS  58           HA       CYS  58   5.957  -0.695   7.707
  464   1HB   CYS  58          1HB       CYS  58   5.152   1.560   7.779
  465   2HB   CYS  58          2HB       CYS  58   6.832   1.559   7.246
  466    H    ASN  59           H        ASN  59   4.879  -0.422   4.358
  467    HA   ASN  59           HA       ASN  59   2.031  -0.425   5.039
  468   1HB   ASN  59          2HB       ASN  59   1.683  -0.309   2.693
  469   2HB   ASN  59          1HB       ASN  59   2.861   0.908   3.145
  470   1HD2  ASN  59          2HD2      ASN  59   3.745  -0.950  -0.076
  471   2HD2  ASN  59          1HD2      ASN  59   2.548   0.153   0.586
  472    H    LYS  60           H        LYS  60   2.782  -2.521   6.288
  473    HA   LYS  60           HA       LYS  60   2.778  -4.924   4.615
  474   1HB   LYS  60          1HB       LYS  60   2.366  -5.988   7.023
  475   2HB   LYS  60          2HB       LYS  60   3.929  -5.470   6.450
  476   1HG   LYS  60          1HG       LYS  60   3.643  -4.838   8.755
  477   2HG   LYS  60          2HG       LYS  60   3.947  -3.476   7.702
  478   1HD   LYS  60          2HD       LYS  60   2.380  -2.726   9.264
  479   2HD   LYS  60          1HD       LYS  60   1.427  -2.956   7.812
  480   1HE   LYS  60          2HE       LYS  60   1.571  -4.924  10.157
  481   2HE   LYS  60          1HE       LYS  60   0.307  -3.713   9.889
  482   1HZ   LYS  60          1HZ       LYS  60  -0.091  -4.803   7.735
  483   2HZ   LYS  60          2HZ       LYS  60   0.864  -6.046   8.230
  484   3HZ   LYS  60          3HZ       LYS  60  -0.505  -5.694   9.068
   
  Start of MODEL           9
 Raw file had  484 H/Q atoms
  Start of MODEL    9
    1    NH1  ARG   1           NH2      ARG   1  13.364   4.029   6.785
    2    NH2  ARG   1           NH1      ARG   1  13.512   6.307   6.461
    3   1H    ARG   1          2H        ARG   1  12.498   4.454  -1.806
    4   2H    ARG   1          1H        ARG   1  11.342   5.029  -0.805
    5   3H    ARG   1          3H        ARG   1  12.824   5.710  -0.769
    6    HA   ARG   1           HA       ARG   1  13.743   3.601   0.052
    7   1HB   ARG   1          2HB       ARG   1  12.339   5.280   1.578
    8   2HB   ARG   1          1HB       ARG   1  11.222   3.908   1.674
    9   1HG   ARG   1          2HG       ARG   1  13.407   2.587   2.412
   10   2HG   ARG   1          1HG       ARG   1  14.140   4.169   2.584
   11   1HD   ARG   1          2HD       ARG   1  11.455   3.709   3.893
   12   2HD   ARG   1          1HD       ARG   1  12.865   2.875   4.539
   13    HE   ARG   1           HE       ARG   1  12.862   5.837   4.141
   14   1HH1  ARG   1          2HH2      ARG   1  13.220   3.075   6.468
   15   2HH1  ARG   1          1HH2      ARG   1  13.631   4.157   7.749
   16   1HH2  ARG   1          1HH1      ARG   1  13.418   7.116   5.852
   17   2HH2  ARG   1          2HH1      ARG   1  13.807   6.440   7.417
   18    H    ILE   2           H        ILE   2  12.377   1.486   1.341
   19    HA   ILE   2           HA       ILE   2  11.540  -0.058  -1.007
   20    HB   ILE   2           HB       ILE   2  11.714  -0.925   1.913
   21   1HG1  ILE   2          1HG1      ILE   2  13.906  -0.089   1.428
   22   2HG1  ILE   2          2HG1      ILE   2  13.947  -1.848   1.384
   23   1HG2  ILE   2          1HG2      ILE   2  11.724  -2.448  -0.741
   24   2HG2  ILE   2          2HG2      ILE   2  12.068  -3.180   0.839
   25   3HG2  ILE   2          3HG2      ILE   2  10.477  -2.491   0.508
   26   1HD1  ILE   2          2HD1      ILE   2  13.826  -1.780  -1.106
   27   2HD1  ILE   2          3HD1      ILE   2  13.833  -0.002  -1.037
   28   3HD1  ILE   2          1HD1      ILE   2  15.234  -0.918  -0.454
   29    H    CYS   3           H        CYS   3   9.448  -0.830  -1.357
   30    HA   CYS   3           HA       CYS   3   7.388  -0.383   0.739
   31   1HB   CYS   3          2HB       CYS   3   7.105   0.420  -2.185
   32   2HB   CYS   3          1HB       CYS   3   5.802   0.372  -0.997
   33    OH   TYR   4           OH       TYR   4   7.237  -7.537   4.480
   34    H    TYR   4           H        TYR   4   5.600  -1.843   0.451
   35    HA   TYR   4           HA       TYR   4   6.383  -4.389  -0.814
   36   1HB   TYR   4          1HB       TYR   4   4.207  -3.434   1.044
   37   2HB   TYR   4          2HB       TYR   4   3.983  -4.906   0.125
   38    HD1  TYR   4           HD1      TYR   4   7.469  -4.560   1.062
   39    HD2  TYR   4           HD2      TYR   4   3.586  -5.605   2.587
   40    HE1  TYR   4           HE1      TYR   4   8.512  -6.192   2.591
   41    HE2  TYR   4           HE2      TYR   4   4.682  -6.946   4.377
   42    HH   TYR   4           HH       TYR   4   8.176  -7.653   4.331
   43    H    SER   5           H        SER   5   5.593  -5.131  -2.704
   44    HA   SER   5           HA       SER   5   4.156  -3.182  -4.406
   45   1HB   SER   5          2HB       SER   5   4.937  -4.903  -6.147
   46   2HB   SER   5          1HB       SER   5   6.191  -4.045  -5.239
   47    HG   SER   5           HG       SER   5   6.855  -6.043  -4.951
   48    H    HIS   6           H        HIS   6   4.107  -6.630  -3.948
   49    HA   HIS   6           HA       HIS   6   2.081  -7.578  -5.325
   50   1HB   HIS   6          1HB       HIS   6   1.785  -9.351  -3.669
   51   2HB   HIS   6          2HB       HIS   6   3.487  -8.918  -3.798
   52    HD1  HIS   6           HD1      HIS   6   4.472  -7.344  -1.781
   53    HD2  HIS   6           HD2      HIS   6   0.681  -9.037  -1.140
   54    HE1  HIS   6           HE1      HIS   6   3.989  -7.230   0.676
   55    H    LYS   7           H        LYS   7  -0.003  -8.172  -5.229
   56    HA   LYS   7           HA       LYS   7  -1.886  -6.442  -3.747
   57   1HB   LYS   7          1HB       LYS   7  -3.542  -7.505  -5.417
   58   2HB   LYS   7          2HB       LYS   7  -2.355  -6.374  -6.028
   59   1HG   LYS   7          2HG       LYS   7  -2.638  -8.186  -7.569
   60   2HG   LYS   7          1HG       LYS   7  -0.999  -8.140  -6.981
   61   1HD   LYS   7          2HD       LYS   7  -1.756 -10.441  -7.152
   62   2HD   LYS   7          1HD       LYS   7  -1.473 -10.070  -5.462
   63   1HE   LYS   7          2HE       LYS   7  -3.524 -11.390  -5.760
   64   2HE   LYS   7          1HE       LYS   7  -3.944  -9.805  -5.116
   65   1HZ   LYS   7          1HZ       LYS   7  -4.130 -10.587  -7.935
   66   2HZ   LYS   7          2HZ       LYS   7  -5.387 -10.469  -6.876
   67   3HZ   LYS   7          3HZ       LYS   7  -4.549  -9.119  -7.308
   68    H    ALA   8           H        ALA   8  -3.975  -7.684  -3.271
   69    HA   ALA   8           HA       ALA   8  -3.877  -9.039  -0.969
   70   1HB   ALA   8          3HB       ALA   8  -5.902  -8.150  -2.012
   71   2HB   ALA   8          2HB       ALA   8  -5.907  -9.463  -3.202
   72   3HB   ALA   8          1HB       ALA   8  -6.160  -9.812  -1.474
   73    H    SER   9           H        SER   9  -1.898 -10.459  -1.540
   74    HA   SER   9           HA       SER   9  -2.846 -13.206  -1.175
   75   1HB   SER   9          1HB       SER   9  -1.159 -13.976  -2.978
   76   2HB   SER   9          2HB       SER   9  -2.567 -13.113  -3.613
   77    HG   SER   9           HG       SER   9  -1.143 -11.150  -3.410
   78    H    LEU  10           H        LEU  10  -1.431 -10.976   0.120
   79    HA   LEU  10           HA       LEU  10   0.611 -10.316   1.079
   80   1HB   LEU  10          2HB       LEU  10  -0.341 -12.730   2.666
   81   2HB   LEU  10          1HB       LEU  10   0.552 -11.332   3.261
   82    HG   LEU  10           HG       LEU  10  -1.572 -11.022   4.028
   83   1HD1  LEU  10          1HD2      LEU  10  -0.648  -8.973   3.063
   84   2HD1  LEU  10          3HD2      LEU  10  -1.490  -9.286   1.527
   85   3HD1  LEU  10          2HD2      LEU  10  -2.416  -8.983   3.007
   86   1HD2  LEU  10          2HD1      LEU  10  -2.732 -12.694   2.567
   87   2HD2  LEU  10          1HD1      LEU  10  -3.647 -11.229   2.953
   88   3HD2  LEU  10          3HD1      LEU  10  -2.942 -11.416   1.350
   89    HA   PRO  11           HA       PRO  11   3.620 -13.693   0.187
   90   1HB   PRO  11          1HB       PRO  11   4.473 -12.409  -2.345
   91   2HB   PRO  11          2HB       PRO  11   4.085 -14.145  -2.116
   92   1HG   PRO  11          1HG       PRO  11   2.428 -12.510  -3.554
   93   2HG   PRO  11          2HG       PRO  11   1.717 -13.667  -2.382
   94   1HD   PRO  11          1HD       PRO  11   2.591 -10.834  -1.851
   95   2HD   PRO  11          2HD       PRO  11   0.922 -11.395  -1.732
   96    NH1  ARG  12           NH1      ARG  12   2.500  -8.189   5.108
   97    NH2  ARG  12           NH2      ARG  12   1.806  -7.974   2.959
   98    H    ARG  12           H        ARG  12   3.563 -10.687   0.676
   99    HA   ARG  12           HA       ARG  12   4.898  -9.015   1.590
  100   1HB   ARG  12          1HB       ARG  12   6.869 -11.246   1.910
  101   2HB   ARG  12          2HB       ARG  12   6.844  -9.750   2.850
  102   1HG   ARG  12          1HG       ARG  12   4.685 -11.927   2.971
  103   2HG   ARG  12          2HG       ARG  12   5.986 -11.674   4.124
  104   1HD   ARG  12          1HD       ARG  12   4.010 -10.759   5.079
  105   2HD   ARG  12          2HD       ARG  12   5.080  -9.408   4.655
  106    HE   ARG  12           HE       ARG  12   3.261  -9.962   2.514
  107   1HH1  ARG  12          2HH1      ARG  12   3.028  -8.629   5.844
  108   2HH1  ARG  12          1HH1      ARG  12   1.892  -7.384   5.284
  109   1HH2  ARG  12          2HH2      ARG  12   1.844  -8.164   1.960
  110   2HH2  ARG  12          1HH2      ARG  12   1.278  -7.169   3.305
  111    H    ALA  13           H        ALA  13   5.599 -10.250  -1.316
  112    HA   ALA  13           HA       ALA  13   8.136  -9.454  -2.025
  113   1HB   ALA  13          3HB       ALA  13   6.524 -10.628  -3.527
  114   2HB   ALA  13          2HB       ALA  13   5.665  -9.087  -3.763
  115   3HB   ALA  13          1HB       ALA  13   7.335  -9.261  -4.319
  116    H    THR  14           H        THR  14   9.196  -7.609  -2.659
  117    HA   THR  14           HA       THR  14   8.057  -5.051  -1.796
  118    HB   THR  14           HB       THR  14  10.537  -4.542  -1.773
  119    HG1  THR  14           HG1      THR  14  11.866  -6.423  -1.917
  120   1HG2  THR  14          2HG2      THR  14   9.579  -6.892  -0.076
  121   2HG2  THR  14          3HG2      THR  14  11.026  -5.911   0.237
  122   3HG2  THR  14          1HG2      THR  14   9.430  -5.160   0.288
  123    H    LYS  15           H        LYS  15   9.087  -3.170  -2.803
  124    HA   LYS  15           HA       LYS  15  10.151  -3.287  -5.505
  125   1HB   LYS  15          2HB       LYS  15   8.713  -1.459  -6.303
  126   2HB   LYS  15          1HB       LYS  15   7.827  -2.958  -6.102
  127   1HG   LYS  15          2HG       LYS  15   6.862  -2.091  -3.959
  128   2HG   LYS  15          1HG       LYS  15   7.860  -0.635  -4.113
  129   1HD   LYS  15          1HD       LYS  15   6.748  -0.164  -6.332
  130   2HD   LYS  15          2HD       LYS  15   5.610  -1.475  -5.998
  131   1HE   LYS  15          2HE       LYS  15   6.060   0.991  -4.239
  132   2HE   LYS  15          1HE       LYS  15   4.753   0.811  -5.416
  133   1HZ   LYS  15          2HZ       LYS  15   5.136  -0.988  -3.120
  134   2HZ   LYS  15          1HZ       LYS  15   4.104   0.286  -3.145
  135   3HZ   LYS  15          3HZ       LYS  15   3.879  -0.978  -4.172
  136    H    THR  16           H        THR  16  11.328  -1.259  -5.904
  137    HA   THR  16           HA       THR  16  12.063   0.179  -3.377
  138    HB   THR  16           HB       THR  16  13.710  -0.354  -5.880
  139    HG1  THR  16           HG1      THR  16  13.337  -2.157  -4.468
  140   1HG2  THR  16          3HG2      THR  16  14.425   0.967  -3.218
  141   2HG2  THR  16          2HG2      THR  16  15.574   0.533  -4.497
  142   3HG2  THR  16          1HG2      THR  16  14.351   1.778  -4.799
  143    H    CYS  17           H        CYS  17  11.192   2.177  -3.340
  144    HA   CYS  17           HA       CYS  17  10.719   3.650  -5.915
  145   1HB   CYS  17          1HB       CYS  17   8.708   2.930  -4.393
  146   2HB   CYS  17          2HB       CYS  17   9.346   4.256  -3.395
  147    H    VAL  18           H        VAL  18  10.608   6.180  -5.121
  148    HA   VAL  18           HA       VAL  18  13.211   6.731  -3.866
  149    HB   VAL  18           HB       VAL  18  12.752   9.007  -4.590
  150   1HG1  VAL  18          1HG1      VAL  18  13.944   7.387  -6.034
  151   2HG1  VAL  18          3HG1      VAL  18  12.409   6.968  -6.825
  152   3HG1  VAL  18          2HG1      VAL  18  13.074   8.605  -6.978
  153   1HG2  VAL  18          1HG2      VAL  18  10.174   7.979  -5.853
  154   2HG2  VAL  18          2HG2      VAL  18  10.344   9.254  -4.621
  155   3HG2  VAL  18          3HG2      VAL  18  10.971   9.508  -6.239
  156    H    GLU  19           H        GLU  19   9.771   7.566  -3.460
  157    HA   GLU  19           HA       GLU  19   9.787   9.169  -1.269
  158   1HB   GLU  19          2HB       GLU  19   7.828   6.907  -1.861
  159   2HB   GLU  19          1HB       GLU  19   7.478   8.250  -0.780
  160   1HG   GLU  19          1HG       GLU  19   7.982   8.486  -3.766
  161   2HG   GLU  19          2HG       GLU  19   6.443   8.645  -2.919
  162    H    ASN  20           H        ASN  20   9.694   9.052   0.891
  163    HA   ASN  20           HA       ASN  20  10.824   6.698   2.244
  164   1HB   ASN  20          2HB       ASN  20  11.294   9.202   2.737
  165   2HB   ASN  20          1HB       ASN  20   9.736   9.200   3.573
  166   1HD2  ASN  20          1HD2      ASN  20  11.020   6.904   6.163
  167   2HD2  ASN  20          2HD2      ASN  20   9.584   7.091   5.167
  168    H    THR  21           H        THR  21   7.699   7.787   1.222
  169    HA   THR  21           HA       THR  21   6.304   6.253   3.291
  170    HB   THR  21           HB       THR  21   4.379   7.704   2.294
  171    HG1  THR  21           HG1      THR  21   5.215   9.626   1.309
  172   1HG2  THR  21          3HG2      THR  21   6.662   9.039   3.812
  173   2HG2  THR  21          2HG2      THR  21   5.013   9.682   3.653
  174   3HG2  THR  21          1HG2      THR  21   5.281   8.158   4.506
  175    H    CYS  22           H        CYS  22   4.530   4.958   2.659
  176    HA   CYS  22           HA       CYS  22   4.418   4.099  -0.177
  177   1HB   CYS  22          1HB       CYS  22   4.393   2.139   2.092
  178   2HB   CYS  22          2HB       CYS  22   4.516   1.831   0.365
  179    OH   TYR  23           OH       TYR  23  -1.331   4.096  -5.818
  180    H    TYR  23           H        TYR  23   2.331   3.111  -0.604
  181    HA   TYR  23           HA       TYR  23   0.363   3.446   1.623
  182   1HB   TYR  23          1HB       TYR  23  -1.359   3.986   0.022
  183   2HB   TYR  23          2HB       TYR  23  -0.011   5.093  -0.084
  184    HD1  TYR  23           HD1      TYR  23  -1.542   2.067  -1.767
  185    HD2  TYR  23           HD2      TYR  23   1.000   5.509  -2.193
  186    HE1  TYR  23           HE1      TYR  23  -2.076   2.170  -4.179
  187    HE2  TYR  23           HE2      TYR  23   0.394   5.674  -4.576
  188    HH   TYR  23           HH       TYR  23  -1.246   5.011  -6.124
  189    H    LYS  24           H        LYS  24  -1.455   2.246   1.491
  190    HA   LYS  24           HA       LYS  24  -1.371  -0.371   0.098
  191   1HB   LYS  24          1HB       LYS  24  -2.496  -1.221   2.305
  192   2HB   LYS  24          2HB       LYS  24  -0.739  -1.181   2.102
  193   1HG   LYS  24          2HG       LYS  24  -0.502   0.795   3.435
  194   2HG   LYS  24          1HG       LYS  24  -2.263   0.984   3.542
  195   1HD   LYS  24          1HD       LYS  24  -2.453  -1.172   4.715
  196   2HD   LYS  24          2HD       LYS  24  -0.713  -1.444   4.578
  197   1HE   LYS  24          2HE       LYS  24  -2.075   0.790   6.165
  198   2HE   LYS  24          1HE       LYS  24  -1.360  -0.682   6.830
  199   1HZ   LYS  24          2HZ       LYS  24   0.123   1.395   5.381
  200   2HZ   LYS  24          3HZ       LYS  24   0.100   1.184   7.014
  201   3HZ   LYS  24          1HZ       LYS  24   0.761   0.026   6.050
  202    H    MET  25           H        MET  25  -3.192  -0.770  -0.919
  203    HA   MET  25           HA       MET  25  -5.418   1.168  -0.819
  204   1HB   MET  25          1HB       MET  25  -4.155   1.039  -2.874
  205   2HB   MET  25          2HB       MET  25  -4.339  -0.699  -2.853
  206   1HG   MET  25          2HG       MET  25  -6.727  -0.569  -3.270
  207   2HG   MET  25          1HG       MET  25  -6.651   1.199  -3.252
  208   1HE   MET  25          3HE       MET  25  -8.029   0.544  -5.713
  209   2HE   MET  25          1HE       MET  25  -7.178  -0.266  -7.046
  210   3HE   MET  25          2HE       MET  25  -7.583  -1.182  -5.580
  211    H    PHE  26           H        PHE  26  -7.436   0.448  -0.163
  212    HA   PHE  26           HA       PHE  26  -8.049  -2.467  -0.144
  213   1HB   PHE  26          1HB       PHE  26  -9.123  -2.060   2.100
  214   2HB   PHE  26          2HB       PHE  26  -7.367  -1.983   2.096
  215    HD1  PHE  26           HD1      PHE  26 -10.454   0.086   2.293
  216    HD2  PHE  26           HD2      PHE  26  -6.153   0.133   2.437
  217    HE1  PHE  26           HE1      PHE  26 -10.528   2.307   3.348
  218    HE2  PHE  26           HE2      PHE  26  -6.245   2.478   3.175
  219    HZ   PHE  26           HZ       PHE  26  -8.404   3.524   3.817
  220    H    ILE  27           H        ILE  27 -10.475  -2.798   0.124
  221    HA   ILE  27           HA       ILE  27 -11.835  -0.972  -1.711
  222    HB   ILE  27           HB       ILE  27 -12.962  -3.303  -0.122
  223   1HG1  ILE  27          1HG1      ILE  27 -12.134  -3.186  -3.059
  224   2HG1  ILE  27          2HG1      ILE  27 -11.127  -3.879  -1.784
  225   1HG2  ILE  27          2HG2      ILE  27 -14.688  -1.653  -0.890
  226   2HG2  ILE  27          1HG2      ILE  27 -14.057  -1.773  -2.538
  227   3HG2  ILE  27          3HG2      ILE  27 -14.843  -3.160  -1.768
  228   1HD1  ILE  27          1HD1      ILE  27 -12.949  -5.496  -1.245
  229   2HD1  ILE  27          2HD1      ILE  27 -13.840  -4.906  -2.672
  230   3HD1  ILE  27          3HD1      ILE  27 -12.258  -5.670  -2.873
  231    NH1  ARG  28           NH1      ARG  28 -14.222   7.754  -0.787
  232    NH2  ARG  28           NH2      ARG  28 -12.333   6.859  -1.791
  233    H    ARG  28           H        ARG  28 -13.376   0.562  -1.107
  234    HA   ARG  28           HA       ARG  28 -12.807   1.887   1.295
  235   1HB   ARG  28          1HB       ARG  28 -13.776   2.820  -0.845
  236   2HB   ARG  28          2HB       ARG  28 -15.366   2.212  -0.355
  237   1HG   ARG  28          1HG       ARG  28 -15.357   3.645   1.618
  238   2HG   ARG  28          2HG       ARG  28 -13.649   4.057   1.361
  239   1HD   ARG  28          1HD       ARG  28 -15.879   4.841  -0.542
  240   2HD   ARG  28          2HD       ARG  28 -15.196   5.858   0.737
  241    HE   ARG  28           HE       ARG  28 -13.298   4.703  -1.239
  242   1HH1  ARG  28          2HH1      ARG  28 -15.112   7.615  -0.334
  243   2HH1  ARG  28          1HH1      ARG  28 -13.909   8.693  -0.986
  244   1HH2  ARG  28          2HH2      ARG  28 -11.829   6.016  -2.063
  245   2HH2  ARG  28          1HH2      ARG  28 -11.952   7.772  -1.989
  246    H    THR  29           H        THR  29 -15.355  -0.477   0.679
  247    HA   THR  29           HA       THR  29 -16.646  -0.109   3.275
  248    HB   THR  29           HB       THR  29 -17.749  -2.291   2.483
  249    HG1  THR  29           HG1      THR  29 -17.202  -3.031   0.496
  250   1HG2  THR  29          3HG2      THR  29 -18.799  -0.076   2.079
  251   2HG2  THR  29          2HG2      THR  29 -17.869   0.097   0.574
  252   3HG2  THR  29          1HG2      THR  29 -19.088  -1.185   0.724
  253    H    HIS  30           H        HIS  30 -14.882  -2.704   1.656
  254    HA   HIS  30           HA       HIS  30 -14.332  -4.122   4.171
  255   1HB   HIS  30          1HB       HIS  30 -13.300  -4.861   1.417
  256   2HB   HIS  30          2HB       HIS  30 -13.553  -5.901   2.815
  257    HD1  HIS  30           HD1      HIS  30 -16.364  -5.634   3.628
  258    HD2  HIS  30           HD2      HIS  30 -15.328  -4.977  -0.376
  259    HE1  HIS  30           HE1      HIS  30 -18.519  -5.590   2.286
  260    NH1  ARG  31           NH2      ARG  31 -11.206   4.439   5.197
  261    NH2  ARG  31           NH1      ARG  31 -13.037   4.665   3.832
  262    H    ARG  31           H        ARG  31 -13.216  -2.070   4.918
  263    HA   ARG  31           HA       ARG  31 -10.661  -1.412   3.939
  264   1HB   ARG  31          1HB       ARG  31 -11.753  -1.108   6.780
  265   2HB   ARG  31          2HB       ARG  31 -10.360  -0.278   6.063
  266   1HG   ARG  31          2HG       ARG  31 -12.067   0.410   4.172
  267   2HG   ARG  31          1HG       ARG  31 -13.303   0.048   5.379
  268   1HD   ARG  31          2HD       ARG  31 -12.406   1.747   6.874
  269   2HD   ARG  31          1HD       ARG  31 -10.976   1.937   5.835
  270    HE   ARG  31           HE       ARG  31 -13.617   2.369   4.583
  271   1HH1  ARG  31          2HH2      ARG  31 -10.688   3.948   5.909
  272   2HH1  ARG  31          1HH2      ARG  31 -10.878   5.330   4.839
  273   1HH2  ARG  31          2HH1      ARG  31 -13.917   4.322   3.477
  274   2HH2  ARG  31          1HH1      ARG  31 -12.642   5.537   3.492
  275    H    GLU  32           H        GLU  32 -11.601  -3.931   6.211
  276    HA   GLU  32           HA       GLU  32  -8.833  -4.591   6.899
  277   1HB   GLU  32          1HB       GLU  32 -10.922  -4.844   8.378
  278   2HB   GLU  32          2HB       GLU  32 -11.319  -6.273   7.406
  279   1HG   GLU  32          2HG       GLU  32  -9.123  -7.281   8.070
  280   2HG   GLU  32          1HG       GLU  32  -8.743  -5.819   8.994
  281    OH   TYR  33           OH       TYR  33  -8.761  -9.155  -2.661
  282    H    TYR  33           H        TYR  33  -8.926  -4.514   4.197
  283    HA   TYR  33           HA       TYR  33  -8.125  -7.191   3.412
  284   1HB   TYR  33          1HB       TYR  33 -10.507  -7.414   2.980
  285   2HB   TYR  33          2HB       TYR  33 -10.549  -5.849   2.172
  286    HD1  TYR  33           HD2      TYR  33  -8.928  -9.231   1.891
  287    HD2  TYR  33           HD1      TYR  33 -10.328  -5.704  -0.158
  288    HE1  TYR  33           HE2      TYR  33  -8.406 -10.286  -0.285
  289    HE2  TYR  33           HE1      TYR  33  -9.776  -6.753  -2.335
  290    HH   TYR  33           HH       TYR  33  -8.397 -10.039  -2.582
  291    H    ILE  34           H        ILE  34  -6.087  -6.364   2.928
  292    HA   ILE  34           HA       ILE  34  -5.829  -3.837   1.463
  293    HB   ILE  34           HB       ILE  34  -3.691  -5.913   2.098
  294   1HG1  ILE  34          1HG1      ILE  34  -4.556  -5.209   4.214
  295   2HG1  ILE  34          2HG1      ILE  34  -3.046  -4.353   3.931
  296   1HG2  ILE  34          3HG2      ILE  34  -3.623  -3.013   1.142
  297   2HG2  ILE  34          2HG2      ILE  34  -2.209  -3.874   1.778
  298   3HG2  ILE  34          1HG2      ILE  34  -3.005  -4.445   0.306
  299   1HD1  ILE  34          3HD1      ILE  34  -4.405  -2.325   3.223
  300   2HD1  ILE  34          1HD1      ILE  34  -5.868  -3.213   3.709
  301   3HD1  ILE  34          2HD1      ILE  34  -4.630  -2.824   4.906
  302    H    SER  35           H        SER  35  -6.328  -3.782  -0.579
  303    HA   SER  35           HA       SER  35  -6.730  -6.157  -2.214
  304   1HB   SER  35          2HB       SER  35  -7.060  -3.183  -2.787
  305   2HB   SER  35          1HB       SER  35  -7.656  -4.527  -3.762
  306    HG   SER  35           HG       SER  35  -8.348  -4.565  -1.057
  307    H    GLU  36           H        GLU  36  -4.752  -3.154  -2.290
  308    HA   GLU  36           HA       GLU  36  -2.659  -4.476  -3.887
  309   1HB   GLU  36          1HB       GLU  36  -4.390  -3.616  -5.489
  310   2HB   GLU  36          2HB       GLU  36  -4.075  -1.982  -4.899
  311   1HG   GLU  36          1HG       GLU  36  -1.880  -1.972  -5.875
  312   2HG   GLU  36          2HG       GLU  36  -1.891  -3.740  -6.088
  313    NH1  ARG  37           NH2      ARG  37  -0.451  -6.116  -0.159
  314    NH2  ARG  37           NH1      ARG  37  -0.467  -6.063   2.158
  315    H    ARG  37           H        ARG  37  -0.878  -2.587  -4.277
  316    HA   ARG  37           HA       ARG  37  -0.726  -0.817  -1.916
  317   1HB   ARG  37          1HB       ARG  37   1.239  -3.010  -2.706
  318   2HB   ARG  37          2HB       ARG  37   1.700  -1.619  -1.711
  319   1HG   ARG  37          1HG       ARG  37   0.165  -2.132  -0.018
  320   2HG   ARG  37          2HG       ARG  37  -0.569  -3.471  -0.943
  321   1HD   ARG  37          2HD       ARG  37   1.686  -4.622  -0.966
  322   2HD   ARG  37          1HD       ARG  37   2.253  -3.311   0.084
  323    HE   ARG  37           HE       ARG  37   1.247  -4.252   1.881
  324   1HH1  ARG  37          1HH2      ARG  37  -0.044  -5.832  -1.048
  325   2HH1  ARG  37          2HH2      ARG  37  -1.147  -6.844  -0.156
  326   1HH2  ARG  37          2HH1      ARG  37  -0.072  -5.739   3.047
  327   2HH2  ARG  37          1HH1      ARG  37  -1.170  -6.783   2.190
  328    H    GLY  38           H        GLY  38   1.194   0.619  -2.093
  329   1HA   GLY  38          1HA       GLY  38   2.315   1.014  -4.756
  330   2HA   GLY  38          2HA       GLY  38   1.062   2.192  -4.399
  331    H    CYS  39           H        CYS  39   3.182   3.420  -4.851
  332    HA   CYS  39           HA       CYS  39   5.029   3.653  -2.541
  333   1HB   CYS  39          2HB       CYS  39   6.075   3.395  -4.685
  334   2HB   CYS  39          1HB       CYS  39   5.060   4.648  -5.413
  335    H    GLY  40           H        GLY  40   5.235   5.596  -1.357
  336   1HA   GLY  40          1HA       GLY  40   4.812   7.672  -0.677
  337   2HA   GLY  40          2HA       GLY  40   3.933   8.030  -2.134
  338    H    CYS  41           H        CYS  41   1.665   7.964  -2.053
  339    HA   CYS  41           HA       CYS  41   0.082   7.229   0.275
  340   1HB   CYS  41          1HB       CYS  41   1.585   9.265   0.574
  341   2HB   CYS  41          2HB       CYS  41   0.521  10.115  -0.534
  342    HA   PRO  42           HA       PRO  42  -3.424   6.705  -2.197
  343   1HB   PRO  42          2HB       PRO  42  -4.064   9.677  -1.964
  344   2HB   PRO  42          1HB       PRO  42  -5.266   8.355  -2.086
  345   1HG   PRO  42          1HG       PRO  42  -4.412   9.269   0.338
  346   2HG   PRO  42          2HG       PRO  42  -4.725   7.540   0.072
  347   1HD   PRO  42          1HD       PRO  42  -2.181   8.960   0.326
  348   2HD   PRO  42          2HD       PRO  42  -2.479   7.185   0.515
  349    H    THR  43           H        THR  43  -4.696   6.793  -3.851
  350    HA   THR  43           HA       THR  43  -4.258   8.270  -6.240
  351    HB   THR  43           HB       THR  43  -3.464   5.335  -6.345
  352    HG1  THR  43           HG1      THR  43  -1.943   7.563  -5.820
  353   1HG2  THR  43          3HG2      THR  43  -3.308   7.548  -8.419
  354   2HG2  THR  43          1HG2      THR  43  -2.721   5.877  -8.616
  355   3HG2  THR  43          2HG2      THR  43  -4.455   6.186  -8.417
  356    H    ALA  44           H        ALA  44  -5.046   5.372  -5.140
  357    HA   ALA  44           HA       ALA  44  -7.473   4.659  -6.501
  358   1HB   ALA  44          2HB       ALA  44  -5.921   3.057  -5.409
  359   2HB   ALA  44          3HB       ALA  44  -6.479   3.615  -3.820
  360   3HB   ALA  44          1HB       ALA  44  -7.620   2.816  -4.910
  361    H    MET  45           H        MET  45  -9.361   5.754  -6.315
  362    HA   MET  45           HA       MET  45 -10.397   6.574  -3.673
  363   1HB   MET  45          1HB       MET  45 -10.941   7.585  -6.508
  364   2HB   MET  45          2HB       MET  45 -11.685   8.196  -5.029
  365   1HG   MET  45          1HG       MET  45  -8.745   8.361  -5.741
  366   2HG   MET  45          2HG       MET  45  -9.901   9.685  -5.736
  367   1HE   MET  45          1HE       MET  45  -7.762  10.820  -4.447
  368   2HE   MET  45          2HE       MET  45  -7.225  10.291  -2.835
  369   3HE   MET  45          3HE       MET  45  -6.917   9.263  -4.253
  370    CH2  TRP  46           CH2      TRP  46 -20.199   5.693  -7.054
  371    H    TRP  46           H        TRP  46 -12.982   6.819  -4.225
  372    HA   TRP  46           HA       TRP  46 -14.244   4.545  -3.750
  373   1HB   TRP  46          1HB       TRP  46 -15.240   6.883  -3.913
  374   2HB   TRP  46          2HB       TRP  46 -15.247   6.685  -5.638
  375    HD1  TRP  46           HD1      TRP  46 -16.689   4.525  -2.718
  376    HE1  TRP  46           HE1      TRP  46 -19.101   3.843  -3.363
  377    HE3  TRP  46           HE3      TRP  46 -17.055   7.076  -7.040
  378    HZ2  TRP  46           HZ2      TRP  46 -20.957   4.395  -5.498
  379    HZ3  TRP  46           HZ3      TRP  46 -19.174   7.023  -8.413
  380    HH2  TRP  46           HH2      TRP  46 -21.112   5.675  -7.632
  381    HA   PRO  47           HA       PRO  47 -15.712   2.812  -4.023
  382   1HB   PRO  47          1HB       PRO  47 -15.855   0.181  -4.467
  383   2HB   PRO  47          2HB       PRO  47 -16.809   1.339  -5.431
  384   1HG   PRO  47          1HG       PRO  47 -14.132   0.124  -6.185
  385   2HG   PRO  47          2HG       PRO  47 -15.636   0.119  -7.152
  386   1HD   PRO  47          1HD       PRO  47 -13.708   2.034  -7.509
  387   2HD   PRO  47          2HD       PRO  47 -15.441   2.440  -7.626
  388    OH   TYR  48           OH       TYR  48 -10.999  -3.540  -6.590
  389    H    TYR  48           H        TYR  48 -12.463   2.860  -4.660
  390    HA   TYR  48           HA       TYR  48 -11.746   1.061  -2.390
  391   1HB   TYR  48          1HB       TYR  48 -10.145   2.217  -4.703
  392   2HB   TYR  48          2HB       TYR  48  -9.434   1.396  -3.321
  393    HD1  TYR  48           HD2      TYR  48 -11.589   0.968  -6.320
  394    HD2  TYR  48           HD1      TYR  48  -9.456  -1.022  -3.146
  395    HE1  TYR  48           HE2      TYR  48 -11.885  -1.200  -7.476
  396    HE2  TYR  48           HE1      TYR  48  -9.769  -3.190  -4.296
  397    HH   TYR  48           HH       TYR  48 -11.490  -3.475  -7.411
  398    H    GLN  49           H        GLN  49  -9.826   1.914  -1.185
  399    HA   GLN  49           HA       GLN  49  -9.443   4.788  -1.322
  400   1HB   GLN  49          2HB       GLN  49 -11.315   4.220   0.547
  401   2HB   GLN  49          1HB       GLN  49  -9.850   3.769   1.441
  402   1HG   GLN  49          1HG       GLN  49  -9.024   6.179   0.507
  403   2HG   GLN  49          2HG       GLN  49 -10.763   6.462   0.527
  404   1HE2  GLN  49          2HE2      GLN  49  -8.596   6.344   3.993
  405   2HE2  GLN  49          1HE2      GLN  49  -7.831   5.976   2.461
  406    H    THR  50           H        THR  50  -7.444   5.271  -0.731
  407    HA   THR  50           HA       THR  50  -5.546   3.122   0.004
  408    HB   THR  50           HB       THR  50  -4.173   5.491  -0.547
  409    HG1  THR  50           HG1      THR  50  -6.390   5.213  -2.372
  410   1HG2  THR  50          2HG2      THR  50  -3.494   3.309  -1.214
  411   2HG2  THR  50          3HG2      THR  50  -4.796   3.215  -2.421
  412   3HG2  THR  50          1HG2      THR  50  -3.493   4.414  -2.607
  413    H    GLU  51           H        GLU  51  -4.069   3.328   1.695
  414    HA   GLU  51           HA       GLU  51  -4.232   5.777   3.373
  415   1HB   GLU  51          1HB       GLU  51  -4.181   4.595   5.449
  416   2HB   GLU  51          2HB       GLU  51  -5.612   4.111   4.543
  417   1HG   GLU  51          2HG       GLU  51  -4.107   2.185   3.674
  418   2HG   GLU  51          1HG       GLU  51  -3.006   2.607   4.998
  419    H    CYS  52           H        CYS  52  -2.190   6.373   4.250
  420    HA   CYS  52           HA       CYS  52   0.056   5.186   2.788
  421   1HB   CYS  52          2HB       CYS  52   0.298   7.718   4.333
  422   2HB   CYS  52          1HB       CYS  52   0.964   7.266   2.760
  423    H    CYS  53           H        CYS  53   2.166   5.419   3.913
  424    HA   CYS  53           HA       CYS  53   2.286   5.553   6.816
  425   1HB   CYS  53          1HB       CYS  53   3.234   3.332   7.177
  426   2HB   CYS  53          2HB       CYS  53   1.584   3.208   6.551
  427    H    LYS  54           H        LYS  54   4.685   5.288   7.486
  428    HA   LYS  54           HA       LYS  54   6.523   6.114   5.326
  429   1HB   LYS  54          2HB       LYS  54   7.665   7.305   7.197
  430   2HB   LYS  54          1HB       LYS  54   6.172   8.059   6.634
  431   1HG   LYS  54          1HG       LYS  54   4.963   7.241   8.589
  432   2HG   LYS  54          2HG       LYS  54   6.376   6.299   9.122
  433   1HD   LYS  54          1HD       LYS  54   7.688   8.377   9.365
  434   2HD   LYS  54          2HD       LYS  54   6.300   9.332   8.805
  435   1HE   LYS  54          1HE       LYS  54   4.967   8.533  10.752
  436   2HE   LYS  54          2HE       LYS  54   6.349   7.568  11.306
  437   1HZ   LYS  54          3HZ       LYS  54   6.303  10.492  11.033
  438   2HZ   LYS  54          1HZ       LYS  54   6.203   9.648  12.444
  439   3HZ   LYS  54          2HZ       LYS  54   7.586   9.594  11.550
  440    H    GLY  55           H        GLY  55   8.463   5.064   5.267
  441   1HA   GLY  55          2HA       GLY  55  10.271   4.056   6.556
  442   2HA   GLY  55          1HA       GLY  55   9.101   3.111   7.476
  443    H    ASP  56           H        ASP  56  11.307   2.026   6.119
  444    HA   ASP  56           HA       ASP  56  10.796   1.030   3.521
  445   1HB   ASP  56          1HB       ASP  56  12.366  -0.869   4.375
  446   2HB   ASP  56          2HB       ASP  56  13.030   0.736   4.165
  447    NH1  ARG  57           NH1      ARG  57  13.165  -5.700   5.508
  448    NH2  ARG  57           NH2      ARG  57  13.426  -3.678   6.612
  449    H    ARG  57           H        ARG  57   9.469  -0.465   2.861
  450    HA   ARG  57           HA       ARG  57   7.777  -2.048   2.814
  451   1HB   ARG  57          2HB       ARG  57   9.311  -3.120   5.206
  452   2HB   ARG  57          1HB       ARG  57   8.202  -4.056   4.226
  453   1HG   ARG  57          2HG       ARG  57   9.661  -4.065   2.351
  454   2HG   ARG  57          1HG       ARG  57  10.649  -2.741   2.968
  455   1HD   ARG  57          1HD       ARG  57  10.492  -5.429   4.351
  456   2HD   ARG  57          2HD       ARG  57  11.750  -4.951   3.183
  457    HE   ARG  57           HE       ARG  57  11.511  -2.951   5.210
  458   1HH1  ARG  57          1HH1      ARG  57  12.676  -6.257   4.825
  459   2HH1  ARG  57          2HH1      ARG  57  13.920  -6.108   6.038
  460   1HH2  ARG  57          2HH2      ARG  57  13.165  -2.699   6.730
  461   2HH2  ARG  57          1HH2      ARG  57  14.178  -4.050   7.171
  462    H    CYS  58           H        CYS  58   7.365   0.400   4.776
  463    HA   CYS  58           HA       CYS  58   6.024  -0.539   7.046
  464   1HB   CYS  58          1HB       CYS  58   5.118   1.663   7.216
  465   2HB   CYS  58          2HB       CYS  58   6.782   1.759   6.648
  466    H    ASN  59           H        ASN  59   4.832  -0.410   3.728
  467    HA   ASN  59           HA       ASN  59   1.990  -0.472   4.483
  468   1HB   ASN  59          2HB       ASN  59   1.620  -0.577   2.071
  469   2HB   ASN  59          1HB       ASN  59   2.598   0.814   2.527
  470   1HD2  ASN  59          2HD2      ASN  59   3.867  -1.118  -0.559
  471   2HD2  ASN  59          1HD2      ASN  59   2.542  -0.077  -0.076
  472    H    LYS  60           H        LYS  60   2.777  -2.365   5.845
  473    HA   LYS  60           HA       LYS  60   3.153  -4.952   4.655
  474   1HB   LYS  60          2HB       LYS  60   2.114  -4.159   7.386
  475   2HB   LYS  60          1HB       LYS  60   2.622  -5.792   6.902
  476   1HG   LYS  60          2HG       LYS  60   4.890  -4.862   6.311
  477   2HG   LYS  60          1HG       LYS  60   4.414  -3.313   7.002
  478   1HD   LYS  60          1HD       LYS  60   4.518  -5.969   8.506
  479   2HD   LYS  60          2HD       LYS  60   5.748  -4.695   8.558
  480   1HE   LYS  60          2HE       LYS  60   4.025  -3.103   9.464
  481   2HE   LYS  60          1HE       LYS  60   2.859  -4.440   9.524
  482   1HZ   LYS  60          3HZ       LYS  60   5.406  -4.339  10.973
  483   2HZ   LYS  60          2HZ       LYS  60   3.908  -4.100  11.616
  484   3HZ   LYS  60          1HZ       LYS  60   4.320  -5.579  11.017
   
  Start of MODEL          10
 Raw file had  484 H/Q atoms
  Start of MODEL   10
    1    NH1  ARG   1           NH1      ARG   1  11.591   4.365   5.443
    2    NH2  ARG   1           NH2      ARG   1  10.539   6.429   5.421
    3   1H    ARG   1          3H        ARG   1  13.667   3.927  -0.376
    4   2H    ARG   1          2H        ARG   1  14.016   4.852   0.953
    5   3H    ARG   1          1H        ARG   1  14.620   3.308   0.793
    6    HA   ARG   1           HA       ARG   1  12.818   3.205   2.315
    7   1HB   ARG   1          1HB       ARG   1  11.684   5.262   1.594
    8   2HB   ARG   1          2HB       ARG   1  11.342   4.557   0.013
    9   1HG   ARG   1          2HG       ARG   1   9.334   4.605   1.299
   10   2HG   ARG   1          1HG       ARG   1   9.789   2.939   1.039
   11   1HD   ARG   1          2HD       ARG   1   9.031   3.147   3.288
   12   2HD   ARG   1          1HD       ARG   1  10.771   2.947   3.419
   13    HE   ARG   1           HE       ARG   1   9.376   5.614   3.452
   14   1HH1  ARG   1          1HH1      ARG   1  11.691   3.428   5.089
   15   2HH1  ARG   1          2HH1      ARG   1  12.119   4.636   6.261
   16   1HH2  ARG   1          2HH2      ARG   1   9.845   7.042   4.998
   17   2HH2  ARG   1          1HH2      ARG   1  11.029   6.723   6.252
   18    H    ILE   2           H        ILE   2  11.127   1.410   2.137
   19    HA   ILE   2           HA       ILE   2  11.385  -0.295  -0.267
   20    HB   ILE   2           HB       ILE   2  11.303  -1.181   2.661
   21   1HG1  ILE   2          1HG1      ILE   2  13.592  -0.484   1.857
   22   2HG1  ILE   2          2HG1      ILE   2  13.443  -2.149   2.416
   23   1HG2  ILE   2          1HG2      ILE   2  11.148  -2.782   0.065
   24   2HG2  ILE   2          3HG2      ILE   2  11.437  -3.493   1.671
   25   3HG2  ILE   2          2HG2      ILE   2   9.920  -2.660   1.324
   26   1HD1  ILE   2          3HD1      ILE   2  13.364  -1.351  -0.511
   27   2HD1  ILE   2          1HD1      ILE   2  14.801  -1.930   0.346
   28   3HD1  ILE   2          2HD1      ILE   2  13.407  -3.002   0.137
   29    H    CYS   3           H        CYS   3   9.260  -0.932  -0.921
   30    HA   CYS   3           HA       CYS   3   7.003  -0.334   0.945
   31   1HB   CYS   3          1HB       CYS   3   7.203   0.553  -1.963
   32   2HB   CYS   3          2HB       CYS   3   5.772   0.671  -0.934
   33    OH   TYR   4           OH       TYR   4   5.500  -7.523   4.698
   34    H    TYR   4           H        TYR   4   5.350  -1.850   0.805
   35    HA   TYR   4           HA       TYR   4   5.856  -4.282  -0.656
   36   1HB   TYR   4          2HB       TYR   4   3.511  -3.141   0.896
   37   2HB   TYR   4          1HB       TYR   4   3.286  -4.562  -0.093
   38    HD1  TYR   4           HD1      TYR   4   4.568  -6.673   0.329
   39    HD2  TYR   4           HD2      TYR   4   4.485  -3.386   3.116
   40    HE1  TYR   4           HE1      TYR   4   5.151  -8.217   2.187
   41    HE2  TYR   4           HE2      TYR   4   4.981  -4.938   4.964
   42    HH   TYR   4           HH       TYR   4   5.358  -7.130   5.563
   43    H    SER   5           H        SER   5   4.782  -5.060  -2.444
   44    HA   SER   5           HA       SER   5   3.332  -3.092  -4.184
   45   1HB   SER   5          1HB       SER   5   5.284  -5.266  -5.052
   46   2HB   SER   5          2HB       SER   5   4.503  -4.042  -6.069
   47    HG   SER   5           HG       SER   5   6.200  -3.427  -3.870
   48    H    HIS   6           H        HIS   6   3.759  -6.595  -3.346
   49    HA   HIS   6           HA       HIS   6   1.963  -7.616  -5.177
   50   1HB   HIS   6          1HB       HIS   6   1.743  -9.559  -3.900
   51   2HB   HIS   6          2HB       HIS   6   3.359  -8.978  -3.562
   52    HD1  HIS   6           HD1      HIS   6   2.539  -6.920  -1.248
   53    HD2  HIS   6           HD2      HIS   6   1.142 -10.868  -1.571
   54    HE1  HIS   6           HE1      HIS   6   1.929  -7.705   1.087
   55    H    LYS   7           H        LYS   7  -0.210  -7.922  -5.414
   56    HA   LYS   7           HA       LYS   7  -1.995  -6.181  -3.877
   57   1HB   LYS   7          2HB       LYS   7  -3.730  -7.195  -5.465
   58   2HB   LYS   7          1HB       LYS   7  -2.447  -6.231  -6.171
   59   1HG   LYS   7          1HG       LYS   7  -3.033  -8.167  -7.498
   60   2HG   LYS   7          2HG       LYS   7  -1.332  -8.179  -7.061
   61   1HD   LYS   7          1HD       LYS   7  -1.743  -9.880  -5.332
   62   2HD   LYS   7          2HD       LYS   7  -3.496  -9.799  -5.607
   63   1HE   LYS   7          2HE       LYS   7  -1.416 -10.665  -7.679
   64   2HE   LYS   7          1HE       LYS   7  -2.372 -11.768  -6.680
   65   1HZ   LYS   7          3HZ       LYS   7  -4.351 -10.867  -7.659
   66   2HZ   LYS   7          2HZ       LYS   7  -3.465  -9.873  -8.631
   67   3HZ   LYS   7          1HZ       LYS   7  -3.352 -11.505  -8.803
   68    H    ALA   8           H        ALA   8  -4.251  -7.435  -3.426
   69    HA   ALA   8           HA       ALA   8  -4.010  -8.916  -1.093
   70   1HB   ALA   8          3HB       ALA   8  -6.216  -9.044  -3.197
   71   2HB   ALA   8          2HB       ALA   8  -6.347  -9.654  -1.532
   72   3HB   ALA   8          1HB       ALA   8  -6.118  -7.924  -1.824
   73    H    SER   9           H        SER   9  -2.394 -10.515  -1.239
   74    HA   SER   9           HA       SER   9  -3.169 -13.152  -2.175
   75   1HB   SER   9          1HB       SER   9  -1.290 -13.388  -3.756
   76   2HB   SER   9          2HB       SER   9  -2.378 -12.114  -4.264
   77    HG   SER   9           HG       SER   9  -0.925 -10.608  -3.187
   78    H    LEU  10           H        LEU  10  -0.440 -14.015  -2.089
   79    HA   LEU  10           HA       LEU  10   0.244 -13.574   0.755
   80   1HB   LEU  10          2HB       LEU  10  -0.960 -15.663   0.607
   81   2HB   LEU  10          1HB       LEU  10   0.087 -16.254  -0.672
   82    HG   LEU  10           HG       LEU  10   2.024 -16.245   0.905
   83   1HD1  LEU  10          1HD1      LEU  10  -0.100 -15.486   2.967
   84   2HD1  LEU  10          2HD1      LEU  10   1.534 -16.065   3.349
   85   3HD1  LEU  10          3HD1      LEU  10   1.324 -14.520   2.524
   86   1HD2  LEU  10          3HD2      LEU  10   0.668 -18.268   0.528
   87   2HD2  LEU  10          2HD2      LEU  10   1.274 -18.196   2.192
   88   3HD2  LEU  10          1HD2      LEU  10  -0.422 -17.793   1.849
   89    HA   PRO  11           HA       PRO  11   4.339 -14.668  -1.487
   90   1HB   PRO  11          2HB       PRO  11   3.695 -13.606  -4.234
   91   2HB   PRO  11          1HB       PRO  11   4.828 -14.890  -3.712
   92   1HG   PRO  11          2HG       PRO  11   2.352 -15.509  -4.779
   93   2HG   PRO  11          1HG       PRO  11   2.965 -16.413  -3.359
   94   1HD   PRO  11          1HD       PRO  11   1.087 -14.011  -3.345
   95   2HD   PRO  11          2HD       PRO  11   0.896 -15.586  -2.510
   96    NH1  ARG  12           NH2      ARG  12   9.507  -9.668   2.554
   97    NH2  ARG  12           NH1      ARG  12   8.048  -8.491   3.906
   98    H    ARG  12           H        ARG  12   5.555 -13.105  -0.669
   99    HA   ARG  12           HA       ARG  12   4.556 -10.341  -0.687
  100   1HB   ARG  12          1HB       ARG  12   6.209  -9.862   0.926
  101   2HB   ARG  12          2HB       ARG  12   5.279 -11.299   1.381
  102   1HG   ARG  12          2HG       ARG  12   7.300 -12.669   0.459
  103   2HG   ARG  12          1HG       ARG  12   8.172 -11.128   0.465
  104   1HD   ARG  12          2HD       ARG  12   6.892 -12.561   2.819
  105   2HD   ARG  12          1HD       ARG  12   8.610 -12.264   2.581
  106    HE   ARG  12           HE       ARG  12   6.584 -10.476   3.661
  107   1HH1  ARG  12          2HH2      ARG  12   9.708 -10.488   2.003
  108   2HH1  ARG  12          1HH2      ARG  12  10.176  -8.913   2.590
  109   1HH2  ARG  12          1HH1      ARG  12   7.128  -8.379   4.323
  110   2HH2  ARG  12          2HH1      ARG  12   8.732  -7.757   4.013
  111    H    ALA  13           H        ALA  13   4.984  -9.059  -2.283
  112    HA   ALA  13           HA       ALA  13   7.671  -9.069  -3.616
  113   1HB   ALA  13          2HB       ALA  13   5.807  -9.675  -5.157
  114   2HB   ALA  13          1HB       ALA  13   5.023  -8.121  -4.794
  115   3HB   ALA  13          3HB       ALA  13   6.609  -8.149  -5.576
  116    H    THR  14           H        THR  14   8.794  -7.483  -2.638
  117    HA   THR  14           HA       THR  14   7.492  -4.907  -1.915
  118    HB   THR  14           HB       THR  14   9.250  -4.810  -0.142
  119    HG1  THR  14           HG1      THR  14  10.524  -6.499  -1.353
  120   1HG2  THR  14          1HG2      THR  14   7.226  -7.083  -0.094
  121   2HG2  THR  14          2HG2      THR  14   8.311  -6.827   1.258
  122   3HG2  THR  14          3HG2      THR  14   7.217  -5.525   0.765
  123    H    LYS  15           H        LYS  15   8.537  -3.097  -2.697
  124    HA   LYS  15           HA       LYS  15  10.906  -3.580  -4.480
  125   1HB   LYS  15          1HB       LYS  15  10.041  -1.927  -5.995
  126   2HB   LYS  15          2HB       LYS  15   8.809  -3.169  -5.729
  127   1HG   LYS  15          1HG       LYS  15   7.708  -1.617  -4.058
  128   2HG   LYS  15          2HG       LYS  15   8.879  -0.364  -4.495
  129   1HD   LYS  15          2HD       LYS  15   8.089  -0.344  -6.801
  130   2HD   LYS  15          1HD       LYS  15   7.036  -1.741  -6.492
  131   1HE   LYS  15          2HE       LYS  15   5.764  -0.423  -4.808
  132   2HE   LYS  15          1HE       LYS  15   6.776   0.993  -5.166
  133   1HZ   LYS  15          2HZ       LYS  15   5.035  -0.410  -7.070
  134   2HZ   LYS  15          3HZ       LYS  15   4.707   1.034  -6.353
  135   3HZ   LYS  15          1HZ       LYS  15   5.961   0.910  -7.414
  136    H    THR  16           H        THR  16  12.424  -1.893  -4.638
  137    HA   THR  16           HA       THR  16  12.701  -0.229  -2.250
  138    HB   THR  16           HB       THR  16  14.492  -0.361  -4.709
  139    HG1  THR  16           HG1      THR  16  14.380  -2.079  -2.452
  140   1HG2  THR  16          3HG2      THR  16  15.052   0.235  -1.757
  141   2HG2  THR  16          1HG2      THR  16  16.261   0.175  -3.056
  142   3HG2  THR  16          2HG2      THR  16  15.012   1.432  -3.070
  143    H    CYS  17           H        CYS  17  12.342   1.971  -2.200
  144    HA   CYS  17           HA       CYS  17  11.801   3.416  -4.738
  145   1HB   CYS  17          1HB       CYS  17   9.735   2.490  -3.257
  146   2HB   CYS  17          2HB       CYS  17  10.092   4.036  -2.463
  147    H    VAL  18           H        VAL  18  11.531   5.777  -4.225
  148    HA   VAL  18           HA       VAL  18  13.850   6.636  -2.560
  149    HB   VAL  18           HB       VAL  18  12.303   8.086  -4.752
  150   1HG1  VAL  18          1HG2      VAL  18  14.899   8.790  -3.310
  151   2HG1  VAL  18          3HG2      VAL  18  14.238   9.645  -4.719
  152   3HG1  VAL  18          2HG2      VAL  18  13.361   9.672  -3.187
  153   1HG2  VAL  18          1HG1      VAL  18  15.009   6.677  -4.809
  154   2HG2  VAL  18          3HG1      VAL  18  13.548   6.175  -5.688
  155   3HG2  VAL  18          2HG1      VAL  18  14.351   7.690  -6.110
  156    H    GLU  19           H        GLU  19  10.418   7.382  -3.212
  157    HA   GLU  19           HA       GLU  19   9.938   9.581  -1.666
  158   1HB   GLU  19          1HB       GLU  19   8.213   7.178  -2.153
  159   2HB   GLU  19          2HB       GLU  19   7.640   8.594  -1.301
  160   1HG   GLU  19          1HG       GLU  19   7.153   8.577  -3.747
  161   2HG   GLU  19          2HG       GLU  19   7.836  10.048  -3.098
  162    H    ASN  20           H        ASN  20   9.476  10.038   0.443
  163    HA   ASN  20           HA       ASN  20  10.538   8.369   2.511
  164   1HB   ASN  20          2HB       ASN  20  10.461  10.832   2.691
  165   2HB   ASN  20          1HB       ASN  20   8.692  10.798   2.610
  166   1HD2  ASN  20          2HD2      ASN  20  10.528   9.508   6.091
  167   2HD2  ASN  20          1HD2      ASN  20  11.348   9.255   4.560
  168    H    THR  21           H        THR  21   7.321   8.521   0.993
  169    HA   THR  21           HA       THR  21   6.196   6.930   3.224
  170    HB   THR  21           HB       THR  21   4.047   7.871   2.186
  171    HG1  THR  21           HG1      THR  21   4.451   9.846   1.010
  172   1HG2  THR  21          2HG2      THR  21   6.041   9.822   3.440
  173   2HG2  THR  21          1HG2      THR  21   4.285  10.067   3.330
  174   3HG2  THR  21          3HG2      THR  21   4.928   8.739   4.306
  175    H    CYS  22           H        CYS  22   4.732   5.337   2.713
  176    HA   CYS  22           HA       CYS  22   4.653   4.272  -0.045
  177   1HB   CYS  22          1HB       CYS  22   4.509   2.535   2.432
  178   2HB   CYS  22          2HB       CYS  22   4.599   2.053   0.751
  179    OH   TYR  23           OH       TYR  23  -0.031   2.718  -5.704
  180    H    TYR  23           H        TYR  23   2.601   2.817  -0.115
  181    HA   TYR  23           HA       TYR  23   0.501   3.752   1.772
  182   1HB   TYR  23          1HB       TYR  23  -1.038   4.279   0.069
  183   2HB   TYR  23          2HB       TYR  23   0.423   5.214  -0.098
  184    HD1  TYR  23           HD2      TYR  23   1.958   4.730  -2.140
  185    HD2  TYR  23           HD1      TYR  23  -1.700   2.561  -1.499
  186    HE1  TYR  23           HE2      TYR  23   1.821   4.204  -4.572
  187    HE2  TYR  23           HE1      TYR  23  -1.959   2.290  -3.940
  188    HH   TYR  23           HH       TYR  23  -0.602   1.956  -5.869
  189    H    LYS  24           H        LYS  24  -1.292   2.563   1.673
  190    HA   LYS  24           HA       LYS  24  -1.214  -0.123   0.408
  191   1HB   LYS  24          1HB       LYS  24  -2.445  -0.863   2.607
  192   2HB   LYS  24          2HB       LYS  24  -0.680  -0.823   2.516
  193   1HG   LYS  24          1HG       LYS  24  -0.562   1.272   3.725
  194   2HG   LYS  24          2HG       LYS  24  -2.334   1.399   3.721
  195   1HD   LYS  24          1HD       LYS  24  -2.544  -0.594   5.096
  196   2HD   LYS  24          2HD       LYS  24  -0.824  -0.949   4.966
  197   1HE   LYS  24          2HE       LYS  24  -1.921   1.564   6.312
  198   2HE   LYS  24          1HE       LYS  24  -1.553   0.056   7.162
  199   1HZ   LYS  24          1HZ       LYS  24   0.377   1.653   5.642
  200   2HZ   LYS  24          2HZ       LYS  24   0.235   1.612   7.282
  201   3HZ   LYS  24          3HZ       LYS  24   0.708   0.263   6.467
  202    H    MET  25           H        MET  25  -3.009  -0.494  -0.685
  203    HA   MET  25           HA       MET  25  -5.210   1.509  -0.583
  204   1HB   MET  25          2HB       MET  25  -3.947   1.387  -2.690
  205   2HB   MET  25          1HB       MET  25  -4.387  -0.322  -2.748
  206   1HG   MET  25          1HG       MET  25  -6.826   0.369  -2.731
  207   2HG   MET  25          2HG       MET  25  -6.290   2.040  -2.882
  208   1HE   MET  25          2HE       MET  25  -5.109   2.984  -5.005
  209   2HE   MET  25          1HE       MET  25  -3.870   1.713  -5.113
  210   3HE   MET  25          3HE       MET  25  -4.877   2.088  -6.524
  211    H    PHE  26           H        PHE  26  -7.128   0.812   0.185
  212    HA   PHE  26           HA       PHE  26  -7.773  -2.097   0.096
  213   1HB   PHE  26          1HB       PHE  26  -9.059  -1.686   2.259
  214   2HB   PHE  26          2HB       PHE  26  -7.308  -1.777   2.341
  215    HD1  PHE  26           HD1      PHE  26  -9.612   1.198   1.629
  216    HD2  PHE  26           HD2      PHE  26  -6.814  -0.699   4.316
  217    HE1  PHE  26           HE1      PHE  26  -9.643   3.182   3.086
  218    HE2  PHE  26           HE2      PHE  26  -7.025   1.224   5.835
  219    HZ   PHE  26           HZ       PHE  26  -8.162   3.285   5.095
  220    H    ILE  27           H        ILE  27 -10.189  -2.400   0.329
  221    HA   ILE  27           HA       ILE  27 -11.562  -0.544  -1.498
  222    HB   ILE  27           HB       ILE  27 -12.403  -3.037   0.013
  223   1HG1  ILE  27          2HG1      ILE  27 -12.199  -2.271  -2.947
  224   2HG1  ILE  27          1HG1      ILE  27 -11.046  -3.266  -2.049
  225   1HG2  ILE  27          2HG2      ILE  27 -14.334  -1.439   0.047
  226   2HG2  ILE  27          3HG2      ILE  27 -14.193  -1.261  -1.713
  227   3HG2  ILE  27          1HG2      ILE  27 -14.646  -2.816  -0.985
  228   1HD1  ILE  27          2HD1      ILE  27 -12.919  -4.905  -1.608
  229   2HD1  ILE  27          3HD1      ILE  27 -13.916  -3.963  -2.749
  230   3HD1  ILE  27          1HD1      ILE  27 -12.427  -4.735  -3.310
  231    NH1  ARG  28           NH1      ARG  28 -18.120   5.358   0.474
  232    NH2  ARG  28           NH2      ARG  28 -18.540   3.103   0.834
  233    H    ARG  28           H        ARG  28 -12.587   1.235  -0.774
  234    HA   ARG  28           HA       ARG  28 -12.064   2.412   1.713
  235   1HB   ARG  28          2HB       ARG  28 -13.001   3.538  -0.362
  236   2HB   ARG  28          1HB       ARG  28 -14.530   2.775  -0.004
  237   1HG   ARG  28          1HG       ARG  28 -14.011   4.032   2.428
  238   2HG   ARG  28          2HG       ARG  28 -13.215   5.123   1.298
  239   1HD   ARG  28          1HD       ARG  28 -15.555   5.766   1.734
  240   2HD   ARG  28          2HD       ARG  28 -15.321   5.342   0.023
  241    HE   ARG  28           HE       ARG  28 -16.142   3.019   1.471
  242   1HH1  ARG  28          1HH1      ARG  28 -17.466   6.126   0.475
  243   2HH1  ARG  28          2HH1      ARG  28 -19.078   5.521   0.203
  244   1HH2  ARG  28          1HH2      ARG  28 -18.172   2.168   0.985
  245   2HH2  ARG  28          2HH2      ARG  28 -19.516   3.226   0.609
  246    H    THR  29           H        THR  29 -15.088   0.890   0.684
  247    HA   THR  29           HA       THR  29 -16.497   0.988   3.073
  248    HB   THR  29           HB       THR  29 -16.753  -1.231   1.013
  249    HG1  THR  29           HG1      THR  29 -17.644   0.219  -0.384
  250   1HG2  THR  29          1HG2      THR  29 -18.812   0.518   2.455
  251   2HG2  THR  29          2HG2      THR  29 -19.181  -0.770   1.290
  252   3HG2  THR  29          3HG2      THR  29 -18.431  -1.169   2.843
  253    H    HIS  30           H        HIS  30 -13.841  -1.255   2.225
  254    HA   HIS  30           HA       HIS  30 -14.351  -2.860   4.649
  255   1HB   HIS  30          2HB       HIS  30 -13.458  -3.789   1.893
  256   2HB   HIS  30          1HB       HIS  30 -13.658  -4.755   3.333
  257    HD1  HIS  30           HD1      HIS  30 -16.552  -3.206   3.977
  258    HD2  HIS  30           HD2      HIS  30 -15.435  -5.219   0.472
  259    HE1  HIS  30           HE1      HIS  30 -18.686  -3.893   2.785
  260    NH1  ARG  31           NH2      ARG  31 -11.214   4.187   5.172
  261    NH2  ARG  31           NH1      ARG  31 -13.037   5.251   6.111
  262    H    ARG  31           H        ARG  31 -12.830  -0.975   5.284
  263    HA   ARG  31           HA       ARG  31 -10.290  -0.608   4.340
  264   1HB   ARG  31          2HB       ARG  31 -11.113  -0.668   7.282
  265   2HB   ARG  31          1HB       ARG  31  -9.712   0.146   6.574
  266   1HG   ARG  31          1HG       ARG  31 -11.342   1.478   5.129
  267   2HG   ARG  31          2HG       ARG  31 -12.645   0.843   6.142
  268   1HD   ARG  31          1HD       ARG  31 -11.464   1.714   8.174
  269   2HD   ARG  31          2HD       ARG  31 -10.272   2.495   7.133
  270    HE   ARG  31           HE       ARG  31 -12.949   3.373   7.764
  271   1HH1  ARG  31          2HH2      ARG  31 -10.575   3.408   5.170
  272   2HH1  ARG  31          1HH2      ARG  31 -11.174   4.876   4.429
  273   1HH2  ARG  31          1HH1      ARG  31 -13.753   5.298   6.820
  274   2HH2  ARG  31          2HH1      ARG  31 -12.996   5.962   5.396
  275    H    GLU  32           H        GLU  32 -11.393  -3.240   6.427
  276    HA   GLU  32           HA       GLU  32  -8.751  -4.342   6.925
  277   1HB   GLU  32          1HB       GLU  32 -11.562  -5.446   7.383
  278   2HB   GLU  32          2HB       GLU  32 -10.057  -6.113   8.024
  279   1HG   GLU  32          1HG       GLU  32  -9.602  -3.960   9.194
  280   2HG   GLU  32          2HG       GLU  32 -11.172  -3.342   8.663
  281    OH   TYR  33           OH       TYR  33  -9.000  -8.128  -2.883
  282    H    TYR  33           H        TYR  33  -8.999  -4.046   4.204
  283    HA   TYR  33           HA       TYR  33  -8.442  -6.757   3.279
  284   1HB   TYR  33          1HB       TYR  33 -10.834  -6.741   2.872
  285   2HB   TYR  33          2HB       TYR  33 -10.750  -5.127   2.165
  286    HD1  TYR  33           HD1      TYR  33  -9.306  -8.572   1.641
  287    HD2  TYR  33           HD2      TYR  33 -10.637  -4.888  -0.157
  288    HE1  TYR  33           HE1      TYR  33  -8.738  -9.458  -0.598
  289    HE2  TYR  33           HE2      TYR  33 -10.075  -5.783  -2.402
  290    HH   TYR  33           HH       TYR  33  -8.641  -9.017  -2.868
  291    H    ILE  34           H        ILE  34  -6.325  -6.005   2.916
  292    HA   ILE  34           HA       ILE  34  -5.882  -3.487   1.494
  293    HB   ILE  34           HB       ILE  34  -3.839  -5.657   2.109
  294   1HG1  ILE  34          1HG1      ILE  34  -4.794  -5.133   4.248
  295   2HG1  ILE  34          2HG1      ILE  34  -3.238  -4.328   4.104
  296   1HG2  ILE  34          1HG2      ILE  34  -3.694  -2.674   1.453
  297   2HG2  ILE  34          2HG2      ILE  34  -2.326  -3.627   2.051
  298   3HG2  ILE  34          3HG2      ILE  34  -3.077  -4.026   0.495
  299   1HD1  ILE  34          3HD1      ILE  34  -4.442  -2.175   3.576
  300   2HD1  ILE  34          1HD1      ILE  34  -5.982  -3.026   3.852
  301   3HD1  ILE  34          2HD1      ILE  34  -4.821  -2.842   5.170
  302    H    SER  35           H        SER  35  -6.331  -3.396  -0.594
  303    HA   SER  35           HA       SER  35  -6.647  -5.768  -2.253
  304   1HB   SER  35          1HB       SER  35  -6.889  -2.866  -3.112
  305   2HB   SER  35          2HB       SER  35  -7.712  -4.305  -3.741
  306    HG   SER  35           HG       SER  35  -8.454  -4.332  -1.322
  307    H    GLU  36           H        GLU  36  -4.567  -2.835  -2.144
  308    HA   GLU  36           HA       GLU  36  -2.515  -4.096  -3.884
  309   1HB   GLU  36          1HB       GLU  36  -3.958  -3.137  -5.469
  310   2HB   GLU  36          2HB       GLU  36  -4.100  -1.618  -4.605
  311   1HG   GLU  36          1HG       GLU  36  -1.368  -2.539  -5.610
  312   2HG   GLU  36          2HG       GLU  36  -2.556  -1.913  -6.707
  313    NH1  ARG  37           NH1      ARG  37  -0.949  -7.044  -0.209
  314    NH2  ARG  37           NH2      ARG  37  -0.992  -6.871   2.107
  315    H    ARG  37           H        ARG  37  -0.533  -2.625  -3.882
  316    HA   ARG  37           HA       ARG  37  -0.384  -0.767  -1.614
  317   1HB   ARG  37          1HB       ARG  37   1.527  -3.134  -2.007
  318   2HB   ARG  37          2HB       ARG  37   1.861  -1.710  -1.022
  319   1HG   ARG  37          2HG       ARG  37   1.161  -2.996   0.610
  320   2HG   ARG  37          1HG       ARG  37  -0.329  -2.183   0.153
  321   1HD   ARG  37          1HD       ARG  37  -1.021  -4.312  -1.032
  322   2HD   ARG  37          2HD       ARG  37   0.655  -4.892  -0.916
  323    HE   ARG  37           HE       ARG  37  -0.271  -4.539   1.712
  324   1HH1  ARG  37          1HH1      ARG  37  -0.697  -6.646  -1.109
  325   2HH1  ARG  37          2HH1      ARG  37  -1.196  -8.022  -0.167
  326   1HH2  ARG  37          1HH2      ARG  37  -0.801  -6.305   2.942
  327   2HH2  ARG  37          2HH2      ARG  37  -1.268  -7.834   2.214
  328    H    GLY  38           H        GLY  38   1.582   0.424  -1.678
  329   1HA   GLY  38          1HA       GLY  38   3.345   0.305  -3.945
  330   2HA   GLY  38          2HA       GLY  38   2.111   1.493  -4.324
  331    H    CYS  39           H        CYS  39   4.040   2.851  -4.507
  332    HA   CYS  39           HA       CYS  39   5.334   3.785  -1.993
  333   1HB   CYS  39          2HB       CYS  39   6.933   2.779  -3.447
  334   2HB   CYS  39          1HB       CYS  39   6.245   3.576  -4.871
  335    H    GLY  40           H        GLY  40   5.545   6.053  -1.643
  336   1HA   GLY  40          1HA       GLY  40   5.045   8.281  -1.765
  337   2HA   GLY  40          2HA       GLY  40   5.069   8.080  -3.488
  338    H    CYS  41           H        CYS  41   3.169   7.359  -1.041
  339    HA   CYS  41           HA       CYS  41   0.683   6.614  -1.655
  340   1HB   CYS  41          1HB       CYS  41   1.460   7.189   0.615
  341   2HB   CYS  41          2HB       CYS  41   1.173   8.891   0.259
  342    HA   PRO  42           HA       PRO  42  -1.165   9.976  -4.087
  343   1HB   PRO  42          1HB       PRO  42  -2.128   8.577  -6.175
  344   2HB   PRO  42          2HB       PRO  42  -0.375   8.841  -5.992
  345   1HG   PRO  42          2HG       PRO  42  -1.998   6.390  -5.227
  346   2HG   PRO  42          1HG       PRO  42  -0.451   6.436  -6.119
  347   1HD   PRO  42          1HD       PRO  42  -0.743   6.038  -3.360
  348   2HD   PRO  42          2HD       PRO  42   0.759   6.640  -4.143
  349    H    THR  43           H        THR  43  -3.502  10.111  -4.902
  350    HA   THR  43           HA       THR  43  -5.337   9.143  -2.845
  351    HB   THR  43           HB       THR  43  -6.065  10.656  -5.375
  352    HG1  THR  43           HG1      THR  43  -4.728  11.624  -3.072
  353   1HG2  THR  43          3HG2      THR  43  -7.067  10.794  -2.485
  354   2HG2  THR  43          2HG2      THR  43  -7.608  11.842  -3.810
  355   3HG2  THR  43          1HG2      THR  43  -7.944  10.108  -3.873
  356    H    ALA  44           H        ALA  44  -7.402   8.016  -3.477
  357    HA   ALA  44           HA       ALA  44  -7.419   6.562  -6.029
  358   1HB   ALA  44          1HB       ALA  44  -7.440   5.180  -3.307
  359   2HB   ALA  44          2HB       ALA  44  -7.792   4.400  -4.866
  360   3HB   ALA  44          3HB       ALA  44  -6.172   5.056  -4.545
  361    H    MET  45           H        MET  45  -9.559   6.099  -6.649
  362    HA   MET  45           HA       MET  45 -11.676   7.417  -5.073
  363   1HB   MET  45          1HB       MET  45 -11.492   6.546  -7.996
  364   2HB   MET  45          2HB       MET  45 -12.829   7.416  -7.235
  365   1HG   MET  45          1HG       MET  45 -11.175   9.231  -6.601
  366   2HG   MET  45          2HG       MET  45  -9.985   8.420  -7.624
  367   1HE   MET  45          1HE       MET  45 -10.730  11.456  -7.862
  368   2HE   MET  45          2HE       MET  45  -9.550  10.657  -8.932
  369   3HE   MET  45          3HE       MET  45 -10.853  11.649  -9.626
  370    CH2  TRP  46           CH2      TRP  46 -20.284   2.237  -3.452
  371    H    TRP  46           H        TRP  46 -13.847   6.379  -5.199
  372    HA   TRP  46           HA       TRP  46 -13.748   3.881  -4.001
  373   1HB   TRP  46          1HB       TRP  46 -15.566   5.802  -4.025
  374   2HB   TRP  46          2HB       TRP  46 -16.189   4.948  -5.419
  375    HD1  TRP  46           HD1      TRP  46 -14.946   3.596  -2.001
  376    HE1  TRP  46           HE1      TRP  46 -16.810   2.096  -0.970
  377    HE3  TRP  46           HE3      TRP  46 -18.510   4.403  -5.449
  378    HZ2  TRP  46           HZ2      TRP  46 -19.508   1.347  -1.640
  379    HZ3  TRP  46           HZ3      TRP  46 -20.773   3.287  -5.275
  380    HH2  TRP  46           HH2      TRP  46 -21.249   1.758  -3.374
  381    HA   PRO  47           HA       PRO  47 -15.268   1.668  -4.048
  382   1HB   PRO  47          1HB       PRO  47 -14.308  -0.831  -4.186
  383   2HB   PRO  47          2HB       PRO  47 -15.718  -0.263  -5.120
  384   1HG   PRO  47          2HG       PRO  47 -12.839  -0.435  -6.080
  385   2HG   PRO  47          1HG       PRO  47 -14.290  -1.117  -6.875
  386   1HD   PRO  47          2HD       PRO  47 -13.300   1.311  -7.603
  387   2HD   PRO  47          1HD       PRO  47 -15.064   1.057  -7.502
  388    OH   TYR  48           OH       TYR  48  -9.842  -3.346  -6.934
  389    H    TYR  48           H        TYR  48 -11.969   2.207  -5.113
  390    HA   TYR  48           HA       TYR  48 -10.799   1.062  -2.679
  391   1HB   TYR  48          1HB       TYR  48  -9.588   2.502  -5.057
  392   2HB   TYR  48          2HB       TYR  48  -8.681   1.798  -3.720
  393    HD1  TYR  48           HD2      TYR  48  -9.395  -0.800  -3.204
  394    HD2  TYR  48           HD1      TYR  48  -9.799   1.206  -7.005
  395    HE1  TYR  48           HE2      TYR  48  -9.637  -2.984  -4.341
  396    HE2  TYR  48           HE1      TYR  48  -9.918  -0.983  -8.144
  397    HH   TYR  48           HH       TYR  48  -9.908  -3.281  -7.888
  398    H    GLN  49           H        GLN  49  -9.279   2.169  -1.452
  399    HA   GLN  49           HA       GLN  49  -9.099   5.078  -1.570
  400   1HB   GLN  49          2HB       GLN  49 -10.999   4.421   0.168
  401   2HB   GLN  49          1HB       GLN  49  -9.607   3.776   1.051
  402   1HG   GLN  49          1HG       GLN  49  -8.609   6.219   0.634
  403   2HG   GLN  49          2HG       GLN  49 -10.318   6.626   0.477
  404   1HE2  GLN  49          2HE2      GLN  49  -8.642   6.029   4.119
  405   2HE2  GLN  49          1HE2      GLN  49  -7.694   6.026   2.638
  406    H    THR  50           H        THR  50  -7.114   5.646  -0.789
  407    HA   THR  50           HA       THR  50  -5.176   3.543   0.001
  408    HB   THR  50           HB       THR  50  -3.640   5.691  -0.439
  409    HG1  THR  50           HG1      THR  50  -4.516   6.985  -2.027
  410   1HG2  THR  50          2HG2      THR  50  -3.621   3.528  -1.647
  411   2HG2  THR  50          1HG2      THR  50  -4.890   4.126  -2.724
  412   3HG2  THR  50          3HG2      THR  50  -3.289   4.916  -2.701
  413    H    GLU  51           H        GLU  51  -3.856   3.774   1.767
  414    HA   GLU  51           HA       GLU  51  -4.119   6.210   3.410
  415   1HB   GLU  51          1HB       GLU  51  -4.335   5.117   5.463
  416   2HB   GLU  51          2HB       GLU  51  -5.686   4.596   4.443
  417   1HG   GLU  51          1HG       GLU  51  -4.512   2.461   3.984
  418   2HG   GLU  51          2HG       GLU  51  -3.131   3.090   4.917
  419    H    CYS  52           H        CYS  52  -2.156   6.878   4.107
  420    HA   CYS  52           HA       CYS  52   0.121   5.585   2.828
  421   1HB   CYS  52          2HB       CYS  52   0.131   8.129   4.395
  422   2HB   CYS  52          1HB       CYS  52   1.162   7.666   3.048
  423    H    CYS  53           H        CYS  53   2.229   5.600   3.977
  424    HA   CYS  53           HA       CYS  53   2.372   5.967   6.842
  425   1HB   CYS  53          1HB       CYS  53   3.130   3.724   7.404
  426   2HB   CYS  53          2HB       CYS  53   1.488   3.650   6.750
  427    H    LYS  54           H        LYS  54   4.833   5.507   7.480
  428    HA   LYS  54           HA       LYS  54   6.643   5.625   5.180
  429   1HB   LYS  54          2HB       LYS  54   7.931   7.216   6.674
  430   2HB   LYS  54          1HB       LYS  54   6.655   7.890   5.656
  431   1HG   LYS  54          2HG       LYS  54   5.140   7.906   7.675
  432   2HG   LYS  54          1HG       LYS  54   6.516   7.397   8.673
  433   1HD   LYS  54          1HD       LYS  54   6.434   9.890   6.898
  434   2HD   LYS  54          2HD       LYS  54   6.009   9.899   8.614
  435   1HE   LYS  54          1HE       LYS  54   8.258   9.318   9.277
  436   2HE   LYS  54          2HE       LYS  54   8.747   9.012   7.601
  437   1HZ   LYS  54          1HZ       LYS  54   7.901  11.622   8.602
  438   2HZ   LYS  54          2HZ       LYS  54   9.460  11.144   8.353
  439   3HZ   LYS  54          3HZ       LYS  54   8.423  11.255   7.076
  440    H    GLY  55           H        GLY  55   8.383   4.361   5.545
  441   1HA   GLY  55          1HA       GLY  55   9.909   3.524   7.464
  442   2HA   GLY  55          2HA       GLY  55   8.435   2.711   8.021
  443    H    ASP  56           H        ASP  56  10.923   1.422   6.964
  444    HA   ASP  56           HA       ASP  56  10.631   0.615   4.253
  445   1HB   ASP  56          1HB       ASP  56  12.124  -1.242   4.957
  446   2HB   ASP  56          2HB       ASP  56  12.735   0.350   5.417
  447    NH1  ARG  57           NH1      ARG  57  11.890  -5.691   4.079
  448    NH2  ARG  57           NH2      ARG  57  11.254  -6.390   1.964
  449    H    ARG  57           H        ARG  57   9.106  -0.552   3.402
  450    HA   ARG  57           HA       ARG  57   7.159  -1.645   3.130
  451   1HB   ARG  57          1HB       ARG  57   7.218  -4.013   3.797
  452   2HB   ARG  57          2HB       ARG  57   8.662  -3.469   2.970
  453   1HG   ARG  57          2HG       ARG  57   9.959  -3.489   5.016
  454   2HG   ARG  57          1HG       ARG  57   8.500  -3.758   5.996
  455   1HD   ARG  57          1HD       ARG  57   9.760  -5.865   5.658
  456   2HD   ARG  57          2HD       ARG  57   8.135  -5.908   4.989
  457    HE   ARG  57           HE       ARG  57   8.940  -5.936   2.812
  458   1HH1  ARG  57          1HH1      ARG  57  11.641  -5.319   4.983
  459   2HH1  ARG  57          2HH1      ARG  57  12.865  -5.804   3.845
  460   1HH2  ARG  57          1HH2      ARG  57  10.552  -6.565   1.248
  461   2HH2  ARG  57          2HH2      ARG  57  12.224  -6.505   1.709
  462    H    CYS  58           H        CYS  58   6.933   0.288   5.205
  463    HA   CYS  58           HA       CYS  58   5.520  -0.704   7.452
  464   1HB   CYS  58          2HB       CYS  58   4.684   1.583   7.626
  465   2HB   CYS  58          1HB       CYS  58   6.411   1.565   7.270
  466    H    ASN  59           H        ASN  59   4.529  -0.273   4.106
  467    HA   ASN  59           HA       ASN  59   1.668  -0.124   4.626
  468   1HB   ASN  59          1HB       ASN  59   1.546  -0.075   2.205
  469   2HB   ASN  59          2HB       ASN  59   2.628   1.172   2.812
  470   1HD2  ASN  59          2HD2      ASN  59   4.042  -0.597  -0.253
  471   2HD2  ASN  59          1HD2      ASN  59   2.676   0.408   0.182
  472    H    LYS  60           H        LYS  60   2.242  -2.270   5.914
  473    HA   LYS  60           HA       LYS  60   2.182  -4.723   4.331
  474   1HB   LYS  60          1HB       LYS  60   1.717  -5.823   6.457
  475   2HB   LYS  60          2HB       LYS  60   3.085  -4.708   6.603
  476   1HG   LYS  60          2HG       LYS  60   1.594  -3.021   7.677
  477   2HG   LYS  60          1HG       LYS  60   0.229  -4.137   7.510
  478   1HD   LYS  60          1HD       LYS  60   1.400  -5.792   8.934
  479   2HD   LYS  60          2HD       LYS  60   2.783  -4.687   9.090
  480   1HE   LYS  60          1HE       LYS  60   1.309  -2.995  10.168
  481   2HE   LYS  60          2HE       LYS  60  -0.073  -4.098  10.012
  482   1HZ   LYS  60          3HZ       LYS  60   1.082  -5.642  11.418
  483   2HZ   LYS  60          1HZ       LYS  60   2.366  -4.617  11.565
  484   3HZ   LYS  60          2HZ       LYS  60   0.897  -4.192  12.179
   
  Start of MODEL          11
 Raw file had  484 H/Q atoms
  Start of MODEL   11
    1    NH1  ARG   1           NH1      ARG   1  11.636   6.249   4.918
    2    NH2  ARG   1           NH2      ARG   1  13.382   7.387   3.954
    3   1H    ARG   1          3H        ARG   1  12.675   4.624  -1.338
    4   2H    ARG   1          1H        ARG   1  11.374   5.423  -0.727
    5   3H    ARG   1          2H        ARG   1  12.860   5.855  -0.235
    6    HA   ARG   1           HA       ARG   1  13.126   3.898   1.005
    7   1HB   ARG   1          2HB       ARG   1  11.364   5.614   1.802
    8   2HB   ARG   1          1HB       ARG   1  10.134   4.525   1.172
    9   1HG   ARG   1          2HG       ARG   1  10.385   4.358   3.562
   10   2HG   ARG   1          1HG       ARG   1  10.726   2.830   2.802
   11   1HD   ARG   1          2HD       ARG   1  12.346   3.523   4.693
   12   2HD   ARG   1          1HD       ARG   1  13.122   3.055   3.196
   13    HE   ARG   1           HE       ARG   1  14.052   5.127   3.098
   14   1HH1  ARG   1          2HH1      ARG   1  11.143   5.397   5.122
   15   2HH1  ARG   1          1HH1      ARG   1  11.286   7.137   5.266
   16   1HH2  ARG   1          2HH2      ARG   1  14.242   7.421   3.429
   17   2HH2  ARG   1          1HH2      ARG   1  12.990   8.238   4.350
   18    H    ILE   2           H        ILE   2  12.058   1.700   1.654
   19    HA   ILE   2           HA       ILE   2  11.383   0.185  -0.785
   20    HB   ILE   2           HB       ILE   2  11.692  -0.692   2.132
   21   1HG1  ILE   2          2HG1      ILE   2  13.841   0.107   1.426
   22   2HG1  ILE   2          1HG1      ILE   2  13.862  -1.655   1.425
   23   1HG2  ILE   2          2HG2      ILE   2  11.458  -2.310  -0.444
   24   2HG2  ILE   2          3HG2      ILE   2  11.922  -2.972   1.136
   25   3HG2  ILE   2          1HG2      ILE   2  10.320  -2.272   0.908
   26   1HD1  ILE   2          2HD1      ILE   2  13.460  -1.587  -1.086
   27   2HD1  ILE   2          1HD1      ILE   2  13.644   0.183  -0.984
   28   3HD1  ILE   2          3HD1      ILE   2  14.993  -0.876  -0.552
   29    H    CYS   3           H        CYS   3   9.255  -0.601  -1.187
   30    HA   CYS   3           HA       CYS   3   7.244  -0.272   0.975
   31   1HB   CYS   3          1HB       CYS   3   6.702   0.812  -1.815
   32   2HB   CYS   3          2HB       CYS   3   5.652   0.813  -0.427
   33    OH   TYR   4           OH       TYR   4   4.801  -7.191   4.603
   34    H    TYR   4           H        TYR   4   5.441  -1.638   0.702
   35    HA   TYR   4           HA       TYR   4   5.910  -4.028  -0.790
   36   1HB   TYR   4          2HB       TYR   4   3.653  -2.851   0.739
   37   2HB   TYR   4          1HB       TYR   4   3.268  -4.148  -0.374
   38    HD1  TYR   4           HD2      TYR   4   5.865  -3.457   2.279
   39    HD2  TYR   4           HD1      TYR   4   3.093  -6.244   0.511
   40    HE1  TYR   4           HE2      TYR   4   6.114  -4.950   4.225
   41    HE2  TYR   4           HE1      TYR   4   3.285  -7.680   2.501
   42    HH   TYR   4           HH       TYR   4   3.921  -7.106   5.015
   43    H    SER   5           H        SER   5   4.847  -4.858  -2.551
   44    HA   SER   5           HA       SER   5   2.899  -3.305  -4.107
   45   1HB   SER   5          1HB       SER   5   5.648  -3.977  -5.256
   46   2HB   SER   5          2HB       SER   5   4.243  -3.464  -6.209
   47    HG   SER   5           HG       SER   5   4.606  -1.780  -4.134
   48    H    HIS   6           H        HIS   6   2.493  -5.520  -2.636
   49    HA   HIS   6           HA       HIS   6   2.809  -7.940  -4.247
   50   1HB   HIS   6          2HB       HIS   6   1.631  -9.035  -2.429
   51   2HB   HIS   6          1HB       HIS   6   2.870  -8.006  -1.826
   52    HD1  HIS   6           HD1      HIS   6  -0.135  -6.006  -2.741
   53    HD2  HIS   6           HD2      HIS   6   1.136  -8.230   0.589
   54    HE1  HIS   6           HE1      HIS   6  -1.611  -5.362  -0.789
   55    H    LYS   7           H        LYS   7   0.890  -9.286  -4.591
   56    HA   LYS   7           HA       LYS   7  -0.818  -7.973  -6.514
   57   1HB   LYS   7          1HB       LYS   7  -2.046 -10.142  -6.580
   58   2HB   LYS   7          2HB       LYS   7  -0.328 -10.250  -6.932
   59   1HG   LYS   7          1HG       LYS   7   0.194 -11.412  -5.042
   60   2HG   LYS   7          2HG       LYS   7  -1.143 -10.783  -4.070
   61   1HD   LYS   7          2HD       LYS   7  -1.600 -12.645  -6.431
   62   2HD   LYS   7          1HD       LYS   7  -1.291 -13.238  -4.794
   63   1HE   LYS   7          2HE       LYS   7  -3.236 -11.981  -3.922
   64   2HE   LYS   7          1HE       LYS   7  -3.606 -11.395  -5.552
   65   1HZ   LYS   7          3HZ       LYS   7  -3.565 -14.204  -4.710
   66   2HZ   LYS   7          2HZ       LYS   7  -4.905 -13.285  -4.978
   67   3HZ   LYS   7          1HZ       LYS   7  -3.903 -13.661  -6.230
   68    H    ALA   8           H        ALA   8  -1.290  -8.848  -3.133
   69    HA   ALA   8           HA       ALA   8  -3.263  -7.012  -2.484
   70   1HB   ALA   8          1HB       ALA   8  -4.361  -9.814  -3.060
   71   2HB   ALA   8          2HB       ALA   8  -5.207  -8.544  -2.159
   72   3HB   ALA   8          3HB       ALA   8  -4.865  -8.311  -3.870
   73    H    SER   9           H        SER   9  -4.218  -7.914  -0.141
   74    HA   SER   9           HA       SER   9  -1.819  -8.744   1.270
   75   1HB   SER   9          2HB       SER   9  -3.479  -8.814   3.238
   76   2HB   SER   9          1HB       SER   9  -3.117  -7.272   2.481
   77    HG   SER   9           HG       SER   9  -5.350  -8.948   1.959
   78    H    LEU  10           H        LEU  10  -1.366 -10.665   0.237
   79    HA   LEU  10           HA       LEU  10  -2.230 -12.925   1.844
   80   1HB   LEU  10          2HB       LEU  10  -3.878 -13.153   0.167
   81   2HB   LEU  10          1HB       LEU  10  -2.757 -12.967  -1.142
   82    HG   LEU  10           HG       LEU  10  -1.639 -15.164  -0.300
   83   1HD1  LEU  10          1HD2      LEU  10  -4.120 -15.205   1.469
   84   2HD1  LEU  10          3HD2      LEU  10  -3.050 -16.587   1.164
   85   3HD1  LEU  10          2HD2      LEU  10  -2.428 -15.172   2.017
   86   1HD2  LEU  10          2HD1      LEU  10  -3.219 -15.102  -2.204
   87   2HD2  LEU  10          1HD1      LEU  10  -3.407 -16.584  -1.251
   88   3HD2  LEU  10          3HD1      LEU  10  -4.584 -15.264  -1.078
   89    HA   PRO  11           HA       PRO  11   2.061 -13.839   0.305
   90   1HB   PRO  11          1HB       PRO  11   3.003 -13.311  -2.170
   91   2HB   PRO  11          2HB       PRO  11   1.861 -14.665  -1.907
   92   1HG   PRO  11          1HG       PRO  11   1.203 -11.845  -2.826
   93   2HG   PRO  11          2HG       PRO  11   0.716 -13.390  -3.589
   94   1HD   PRO  11          2HD       PRO  11  -0.898 -12.001  -1.797
   95   2HD   PRO  11          1HD       PRO  11  -0.890 -13.799  -1.909
   96    NH1  ARG  12           NH2      ARG  12   0.319 -10.371   3.265
   97    NH2  ARG  12           NH1      ARG  12   0.993  -8.388   4.242
   98    H    ARG  12           H        ARG  12   4.106 -12.517   0.311
   99    HA   ARG  12           HA       ARG  12   3.520  -9.585   0.510
  100   1HB   ARG  12          1HB       ARG  12   6.004 -10.537   1.695
  101   2HB   ARG  12          2HB       ARG  12   4.847  -9.390   2.302
  102   1HG   ARG  12          2HG       ARG  12   4.728 -12.414   2.601
  103   2HG   ARG  12          1HG       ARG  12   5.085 -11.223   3.848
  104   1HD   ARG  12          2HD       ARG  12   2.415 -11.698   2.500
  105   2HD   ARG  12          1HD       ARG  12   2.840 -12.039   4.168
  106    HE   ARG  12           HE       ARG  12   3.283  -9.392   4.123
  107   1HH1  ARG  12          1HH2      ARG  12   0.517 -11.294   2.888
  108   2HH1  ARG  12          2HH2      ARG  12  -0.637 -10.059   3.296
  109   1HH2  ARG  12          1HH1      ARG  12   1.699  -7.792   4.683
  110   2HH2  ARG  12          2HH1      ARG  12   0.049  -8.037   4.219
  111    H    ALA  13           H        ALA  13   4.724  -8.287  -0.793
  112    HA   ALA  13           HA       ALA  13   7.248  -9.167  -1.983
  113   1HB   ALA  13          2HB       ALA  13   5.576 -10.075  -3.600
  114   2HB   ALA  13          3HB       ALA  13   4.893  -8.442  -3.774
  115   3HB   ALA  13          1HB       ALA  13   6.552  -8.768  -4.300
  116    H    THR  14           H        THR  14   8.562  -7.389  -2.342
  117    HA   THR  14           HA       THR  14   7.400  -4.676  -2.007
  118    HB   THR  14           HB       THR  14   9.493  -4.222  -0.670
  119    HG1  THR  14           HG1      THR  14  10.610  -6.131  -1.465
  120   1HG2  THR  14          2HG2      THR  14   7.621  -6.328   0.499
  121   2HG2  THR  14          3HG2      THR  14   8.835  -5.428   1.423
  122   3HG2  THR  14          1HG2      THR  14   7.516  -4.556   0.642
  123    H    LYS  15           H        LYS  15   8.710  -2.945  -2.707
  124    HA   LYS  15           HA       LYS  15  10.800  -3.591  -4.702
  125   1HB   LYS  15          2HB       LYS  15   9.867  -2.157  -6.360
  126   2HB   LYS  15          1HB       LYS  15   8.593  -3.299  -5.917
  127   1HG   LYS  15          1HG       LYS  15   7.551  -1.551  -4.468
  128   2HG   LYS  15          2HG       LYS  15   8.840  -0.412  -4.905
  129   1HD   LYS  15          1HD       LYS  15   8.210  -0.653  -7.320
  130   2HD   LYS  15          2HD       LYS  15   6.823  -1.638  -6.807
  131   1HE   LYS  15          2HE       LYS  15   6.071   0.300  -5.360
  132   2HE   LYS  15          1HE       LYS  15   7.401   1.264  -6.030
  133   1HZ   LYS  15          2HZ       LYS  15   6.438   0.945  -8.198
  134   2HZ   LYS  15          1HZ       LYS  15   5.202   0.061  -7.557
  135   3HZ   LYS  15          3HZ       LYS  15   5.357   1.657  -7.177
  136    H    THR  16           H        THR  16  11.961  -1.513  -5.265
  137    HA   THR  16           HA       THR  16  12.232   0.177  -2.828
  138    HB   THR  16           HB       THR  16  14.245  -1.090  -3.613
  139    HG1  THR  16           HG1      THR  16  15.550   0.782  -3.428
  140   1HG2  THR  16          3HG2      THR  16  13.847  -0.826  -6.101
  141   2HG2  THR  16          1HG2      THR  16  14.224   0.903  -5.934
  142   3HG2  THR  16          2HG2      THR  16  15.460  -0.311  -5.573
  143    H    CYS  17           H        CYS  17  11.969   2.361  -2.993
  144    HA   CYS  17           HA       CYS  17  11.349   3.614  -5.612
  145   1HB   CYS  17          1HB       CYS  17   9.338   2.867  -4.034
  146   2HB   CYS  17          2HB       CYS  17   9.850   4.343  -3.202
  147    H    VAL  18           H        VAL  18  11.159   6.106  -5.075
  148    HA   VAL  18           HA       VAL  18  13.620   6.859  -3.641
  149    HB   VAL  18           HB       VAL  18  13.220   9.023  -4.683
  150   1HG1  VAL  18          1HG2      VAL  18  14.579   7.266  -5.778
  151   2HG1  VAL  18          3HG2      VAL  18  13.144   6.721  -6.672
  152   3HG1  VAL  18          2HG2      VAL  18  13.807   8.342  -6.953
  153   1HG2  VAL  18          1HG1      VAL  18  10.807   7.788  -6.078
  154   2HG2  VAL  18          2HG1      VAL  18  10.828   9.207  -5.001
  155   3HG2  VAL  18          3HG1      VAL  18  11.625   9.277  -6.562
  156    H    GLU  19           H        GLU  19  10.144   7.701  -3.671
  157    HA   GLU  19           HA       GLU  19  10.047   9.590  -1.706
  158   1HB   GLU  19          2HB       GLU  19   8.020   7.344  -2.098
  159   2HB   GLU  19          1HB       GLU  19   7.684   8.864  -1.273
  160   1HG   GLU  19          1HG       GLU  19   8.428   8.537  -4.176
  161   2HG   GLU  19          2HG       GLU  19   6.836   8.957  -3.590
  162    H    ASN  20           H        ASN  20   9.732   9.753   0.411
  163    HA   ASN  20           HA       ASN  20  10.897   7.792   2.175
  164   1HB   ASN  20          1HB       ASN  20  11.130  10.194   2.554
  165   2HB   ASN  20          2HB       ASN  20   9.374  10.391   2.641
  166   1HD2  ASN  20          1HD2      ASN  20   9.210   9.529   6.069
  167   2HD2  ASN  20          2HD2      ASN  20   8.340  10.068   4.648
  168    H    THR  21           H        THR  21   7.631   8.312   0.896
  169    HA   THR  21           HA       THR  21   6.443   6.889   3.231
  170    HB   THR  21           HB       THR  21   4.339   7.948   2.047
  171    HG1  THR  21           HG1      THR  21   5.013  10.006   1.127
  172   1HG2  THR  21          1HG2      THR  21   6.357   9.594   3.626
  173   2HG2  THR  21          3HG2      THR  21   4.643  10.006   3.399
  174   3HG2  THR  21          2HG2      THR  21   5.084   8.545   4.294
  175    H    CYS  22           H        CYS  22   4.599   5.508   2.705
  176    HA   CYS  22           HA       CYS  22   4.584   4.243   0.046
  177   1HB   CYS  22          1HB       CYS  22   4.503   2.649   2.626
  178   2HB   CYS  22          2HB       CYS  22   4.565   2.075   0.986
  179    OH   TYR  23           OH       TYR  23  -0.144   2.674  -5.559
  180    H    TYR  23           H        TYR  23   2.544   2.821  -0.004
  181    HA   TYR  23           HA       TYR  23   0.467   3.658   1.934
  182   1HB   TYR  23          1HB       TYR  23  -1.154   4.148   0.226
  183   2HB   TYR  23          2HB       TYR  23   0.249   5.164   0.008
  184    HD1  TYR  23           HD2      TYR  23  -1.631   2.216  -1.303
  185    HD2  TYR  23           HD1      TYR  23   1.718   4.819  -1.994
  186    HE1  TYR  23           HE2      TYR  23  -1.639   1.587  -3.695
  187    HE2  TYR  23           HE1      TYR  23   1.590   4.330  -4.427
  188    HH   TYR  23           HH       TYR  23   0.463   3.187  -6.096
  189    H    LYS  24           H        LYS  24  -1.402   2.480   1.778
  190    HA   LYS  24           HA       LYS  24  -1.246  -0.121   0.415
  191   1HB   LYS  24          1HB       LYS  24  -2.169  -1.290   2.430
  192   2HB   LYS  24          2HB       LYS  24  -0.500  -0.717   2.588
  193   1HG   LYS  24          1HG       LYS  24  -1.335   1.251   3.877
  194   2HG   LYS  24          2HG       LYS  24  -2.946   0.486   3.853
  195   1HD   LYS  24          1HD       LYS  24  -2.133  -1.468   5.008
  196   2HD   LYS  24          2HD       LYS  24  -0.446  -0.945   4.871
  197   1HE   LYS  24          2HE       LYS  24  -2.597   0.439   6.533
  198   2HE   LYS  24          1HE       LYS  24  -1.324  -0.623   7.144
  199   1HZ   LYS  24          1HZ       LYS  24   0.302   0.922   6.322
  200   2HZ   LYS  24          3HZ       LYS  24  -0.878   1.942   5.788
  201   3HZ   LYS  24          2HZ       LYS  24  -0.715   1.643   7.398
  202    H    MET  25           H        MET  25  -2.895  -0.333  -0.782
  203    HA   MET  25           HA       MET  25  -5.204   1.513  -0.580
  204   1HB   MET  25          1HB       MET  25  -3.862   1.418  -2.654
  205   2HB   MET  25          2HB       MET  25  -4.381  -0.264  -2.794
  206   1HG   MET  25          1HG       MET  25  -6.786   0.555  -2.757
  207   2HG   MET  25          2HG       MET  25  -6.160   2.199  -2.831
  208   1HE   MET  25          2HE       MET  25  -4.499   2.941  -4.830
  209   2HE   MET  25          1HE       MET  25  -3.611   1.410  -5.048
  210   3HE   MET  25          3HE       MET  25  -4.471   2.136  -6.417
  211    H    PHE  26           H        PHE  26  -7.028   0.784   0.291
  212    HA   PHE  26           HA       PHE  26  -7.747  -2.120   0.212
  213   1HB   PHE  26          1HB       PHE  26  -8.888  -1.748   2.363
  214   2HB   PHE  26          2HB       PHE  26  -7.165  -1.431   2.488
  215    HD1  PHE  26           HD1      PHE  26  -6.303   0.910   2.665
  216    HD2  PHE  26           HD2      PHE  26 -10.526   0.039   2.694
  217    HE1  PHE  26           HE1      PHE  26  -6.795   3.240   3.331
  218    HE2  PHE  26           HE2      PHE  26 -10.998   2.352   3.432
  219    HZ   PHE  26           HZ       PHE  26  -9.117   3.946   3.816
  220    H    ILE  27           H        ILE  27 -10.274  -2.172   0.628
  221    HA   ILE  27           HA       ILE  27 -11.584  -0.161  -1.156
  222    HB   ILE  27           HB       ILE  27 -12.281  -3.089  -0.725
  223   1HG1  ILE  27          2HG1      ILE  27 -11.244  -1.612  -3.191
  224   2HG1  ILE  27          1HG1      ILE  27 -10.254  -2.652  -2.160
  225   1HG2  ILE  27          1HG2      ILE  27 -14.274  -1.592  -1.081
  226   2HG2  ILE  27          3HG2      ILE  27 -13.514  -0.979  -2.557
  227   3HG2  ILE  27          2HG2      ILE  27 -14.032  -2.672  -2.439
  228   1HD1  ILE  27          3HD1      ILE  27 -11.774  -4.570  -2.677
  229   2HD1  ILE  27          1HD1      ILE  27 -12.597  -3.538  -3.876
  230   3HD1  ILE  27          2HD1      ILE  27 -10.885  -3.930  -4.073
  231    NH1  ARG  28           NH1      ARG  28 -13.189   4.801  -1.484
  232    NH2  ARG  28           NH2      ARG  28 -13.072   6.993  -0.749
  233    H    ARG  28           H        ARG  28 -13.395   0.817  -0.320
  234    HA   ARG  28           HA       ARG  28 -13.573   1.163   2.442
  235   1HB   ARG  28          2HB       ARG  28 -15.554   1.579   0.178
  236   2HB   ARG  28          1HB       ARG  28 -15.960   1.993   1.848
  237   1HG   ARG  28          2HG       ARG  28 -14.118   3.540   2.041
  238   2HG   ARG  28          1HG       ARG  28 -13.466   3.042   0.476
  239   1HD   ARG  28          2HD       ARG  28 -15.596   3.871  -0.610
  240   2HD   ARG  28          1HD       ARG  28 -16.163   4.396   0.978
  241    HE   ARG  28           HE       ARG  28 -14.880   6.273   0.830
  242   1HH1  ARG  28          2HH1      ARG  28 -13.531   3.855  -1.366
  243   2HH1  ARG  28          1HH1      ARG  28 -12.435   4.960  -2.143
  244   1HH2  ARG  28          1HH2      ARG  28 -13.398   7.728  -0.139
  245   2HH2  ARG  28          2HH2      ARG  28 -12.321   7.192  -1.398
  246    H    THR  29           H        THR  29 -15.526  -1.089   0.488
  247    HA   THR  29           HA       THR  29 -17.176  -1.995   2.669
  248    HB   THR  29           HB       THR  29 -17.490  -3.973   1.063
  249    HG1  THR  29           HG1      THR  29 -16.386  -3.941  -0.813
  250   1HG2  THR  29          3HG2      THR  29 -18.995  -1.998   1.009
  251   2HG2  THR  29          1HG2      THR  29 -17.883  -1.172  -0.104
  252   3HG2  THR  29          2HG2      THR  29 -18.723  -2.648  -0.619
  253    H    HIS  30           H        HIS  30 -14.516  -3.535   0.933
  254    HA   HIS  30           HA       HIS  30 -14.030  -5.488   3.076
  255   1HB   HIS  30          1HB       HIS  30 -12.385  -5.086   0.558
  256   2HB   HIS  30          2HB       HIS  30 -12.608  -6.565   1.501
  257    HD1  HIS  30           HD1      HIS  30 -15.474  -7.144   1.613
  258    HD2  HIS  30           HD2      HIS  30 -13.956  -4.992  -1.644
  259    HE1  HIS  30           HE1      HIS  30 -17.292  -7.066  -0.157
  260    NH1  ARG  31           NH2      ARG  31  -8.666   1.490   6.619
  261    NH2  ARG  31           NH1      ARG  31  -7.898  -0.570   5.840
  262    H    ARG  31           H        ARG  31 -13.700  -3.122   4.279
  263    HA   ARG  31           HA       ARG  31 -11.307  -1.827   4.128
  264   1HB   ARG  31          2HB       ARG  31 -13.484  -2.211   6.093
  265   2HB   ARG  31          1HB       ARG  31 -11.959  -1.933   6.918
  266   1HG   ARG  31          2HG       ARG  31 -12.642  -0.145   4.578
  267   2HG   ARG  31          1HG       ARG  31 -13.545   0.014   6.069
  268   1HD   ARG  31          2HD       ARG  31 -11.421   1.491   5.854
  269   2HD   ARG  31          1HD       ARG  31 -11.533   0.528   7.341
  270    HE   ARG  31           HE       ARG  31 -10.189  -1.115   5.575
  271   1HH1  ARG  31          1HH2      ARG  31  -9.442   2.097   6.827
  272   2HH1  ARG  31          2HH2      ARG  31  -7.715   1.827   6.735
  273   1HH2  ARG  31          2HH1      ARG  31  -8.133  -1.504   5.512
  274   2HH2  ARG  31          1HH1      ARG  31  -6.928  -0.281   5.891
  275    H    GLU  32           H        GLU  32 -11.908  -4.729   6.069
  276    HA   GLU  32           HA       GLU  32  -9.193  -4.810   7.119
  277   1HB   GLU  32          1HB       GLU  32 -11.484  -6.831   7.205
  278   2HB   GLU  32          2HB       GLU  32  -9.995  -6.884   8.154
  279   1HG   GLU  32          1HG       GLU  32 -10.554  -4.658   9.140
  280   2HG   GLU  32          2HG       GLU  32 -12.112  -4.689   8.301
  281    OH   TYR  33           OH       TYR  33  -5.939 -10.892  -0.239
  282    H    TYR  33           H        TYR  33  -9.025  -4.685   4.347
  283    HA   TYR  33           HA       TYR  33  -7.438  -7.013   3.807
  284   1HB   TYR  33          1HB       TYR  33  -9.904  -7.680   3.190
  285   2HB   TYR  33          2HB       TYR  33  -9.731  -6.521   1.869
  286    HD1  TYR  33           HD1      TYR  33  -8.201  -9.547   3.451
  287    HD2  TYR  33           HD2      TYR  33  -8.616  -7.231  -0.163
  288    HE1  TYR  33           HE1      TYR  33  -6.788 -11.180   2.244
  289    HE2  TYR  33           HE2      TYR  33  -7.286  -8.920  -1.389
  290    HH   TYR  33           HH       TYR  33  -5.360 -11.285   0.428
  291    H    ILE  34           H        ILE  34  -5.936  -6.528   2.092
  292    HA   ILE  34           HA       ILE  34  -6.003  -3.676   1.187
  293    HB   ILE  34           HB       ILE  34  -3.592  -5.488   1.446
  294   1HG1  ILE  34          1HG1      ILE  34  -4.396  -5.152   3.720
  295   2HG1  ILE  34          2HG1      ILE  34  -2.953  -4.192   3.427
  296   1HG2  ILE  34          1HG2      ILE  34  -3.914  -2.507   0.971
  297   2HG2  ILE  34          3HG2      ILE  34  -2.387  -3.373   1.231
  298   3HG2  ILE  34          2HG2      ILE  34  -3.372  -3.746  -0.179
  299   1HD1  ILE  34          2HD1      ILE  34  -4.375  -2.145   3.158
  300   2HD1  ILE  34          3HD1      ILE  34  -5.811  -3.134   3.506
  301   3HD1  ILE  34          1HD1      ILE  34  -4.562  -2.922   4.735
  302    H    SER  35           H        SER  35  -6.394  -3.439  -0.920
  303    HA   SER  35           HA       SER  35  -6.507  -5.746  -2.725
  304   1HB   SER  35          1HB       SER  35  -7.095  -3.633  -4.271
  305   2HB   SER  35          2HB       SER  35  -8.277  -4.388  -3.190
  306    HG   SER  35           HG       SER  35  -6.672  -2.196  -2.361
  307    H    GLU  36           H        GLU  36  -4.410  -2.856  -2.157
  308    HA   GLU  36           HA       GLU  36  -2.323  -4.082  -3.806
  309   1HB   GLU  36          1HB       GLU  36  -3.758  -3.003  -5.510
  310   2HB   GLU  36          2HB       GLU  36  -3.670  -1.462  -4.652
  311   1HG   GLU  36          2HG       GLU  36  -1.286  -1.260  -5.182
  312   2HG   GLU  36          1HG       GLU  36  -1.267  -2.910  -5.850
  313    NH1  ARG  37           NH2      ARG  37   1.038  -5.382   3.256
  314    NH2  ARG  37           NH1      ARG  37  -0.380  -4.163   4.619
  315    H    ARG  37           H        ARG  37  -0.309  -2.544  -3.723
  316    HA   ARG  37           HA       ARG  37  -0.327  -0.627  -1.513
  317   1HB   ARG  37          1HB       ARG  37   1.108  -3.290  -1.448
  318   2HB   ARG  37          2HB       ARG  37   1.990  -1.847  -0.918
  319   1HG   ARG  37          1HG       ARG  37   0.670  -1.374   0.843
  320   2HG   ARG  37          2HG       ARG  37  -0.700  -2.266   0.199
  321   1HD   ARG  37          1HD       ARG  37   0.629  -4.400   0.638
  322   2HD   ARG  37          2HD       ARG  37   1.772  -3.390   1.527
  323    HE   ARG  37           HE       ARG  37  -0.778  -2.823   2.540
  324   1HH1  ARG  37          1HH2      ARG  37   1.461  -5.533   2.357
  325   2HH1  ARG  37          2HH2      ARG  37   1.419  -5.872   4.066
  326   1HH2  ARG  37          1HH1      ARG  37  -1.047  -3.425   4.759
  327   2HH2  ARG  37          2HH1      ARG  37   0.018  -4.642   5.433
  328    H    GLY  38           H        GLY  38   1.583   0.742  -1.592
  329   1HA   GLY  38          1HA       GLY  38   3.444   0.396  -3.778
  330   2HA   GLY  38          2HA       GLY  38   2.193   1.540  -4.239
  331    H    CYS  39           H        CYS  39   4.002   2.934  -4.469
  332    HA   CYS  39           HA       CYS  39   5.590   3.803  -2.162
  333   1HB   CYS  39          2HB       CYS  39   6.741   3.215  -4.172
  334   2HB   CYS  39          1HB       CYS  39   5.685   4.228  -5.166
  335    H    GLY  40           H        GLY  40   5.832   5.868  -1.472
  336   1HA   GLY  40          2HA       GLY  40   4.918   7.653  -0.549
  337   2HA   GLY  40          1HA       GLY  40   5.459   8.326  -2.023
  338    H    CYS  41           H        CYS  41   2.981   7.451   0.042
  339    HA   CYS  41           HA       CYS  41   0.583   7.346  -0.270
  340   1HB   CYS  41          1HB       CYS  41   1.738   8.457   1.598
  341   2HB   CYS  41          2HB       CYS  41   1.768   9.961   0.691
  342    HA   PRO  42           HA       PRO  42  -0.948  10.118  -3.571
  343   1HB   PRO  42          1HB       PRO  42  -1.614   8.399  -5.524
  344   2HB   PRO  42          2HB       PRO  42   0.098   8.773  -5.204
  345   1HG   PRO  42          1HG       PRO  42  -1.512   6.366  -4.279
  346   2HG   PRO  42          2HG       PRO  42   0.128   6.384  -4.986
  347   1HD   PRO  42          2HD       PRO  42  -0.505   6.375  -2.220
  348   2HD   PRO  42          1HD       PRO  42   1.072   6.866  -2.927
  349    H    THR  43           H        THR  43  -3.214   9.944  -4.628
  350    HA   THR  43           HA       THR  43  -5.194   8.973  -2.669
  351    HB   THR  43           HB       THR  43  -6.652  10.207  -4.576
  352    HG1  THR  43           HG1      THR  43  -4.959  10.535  -6.021
  353   1HG2  THR  43          1HG2      THR  43  -4.839  11.614  -2.591
  354   2HG2  THR  43          2HG2      THR  43  -6.289  12.307  -3.367
  355   3HG2  THR  43          3HG2      THR  43  -6.450  10.927  -2.263
  356    H    ALA  44           H        ALA  44  -7.273   8.152  -3.759
  357    HA   ALA  44           HA       ALA  44  -6.937   6.485  -6.125
  358   1HB   ALA  44          1HB       ALA  44  -7.404   5.235  -3.389
  359   2HB   ALA  44          2HB       ALA  44  -7.653   4.395  -4.935
  360   3HB   ALA  44          3HB       ALA  44  -6.032   4.946  -4.472
  361    H    MET  45           H        MET  45  -9.050   5.675  -6.839
  362    HA   MET  45           HA       MET  45 -11.179   7.581  -6.121
  363   1HB   MET  45          1HB       MET  45 -10.713   5.689  -8.465
  364   2HB   MET  45          2HB       MET  45 -12.134   6.719  -8.260
  365   1HG   MET  45          2HG       MET  45 -10.726   8.739  -8.285
  366   2HG   MET  45          1HG       MET  45  -9.273   7.747  -8.420
  367   1HE   MET  45          2HE       MET  45 -12.524   8.957 -10.138
  368   2HE   MET  45          3HE       MET  45 -12.350   8.342 -11.798
  369   3HE   MET  45          1HE       MET  45 -12.710   7.215 -10.474
  370    CH2  TRP  46           CH2      TRP  46 -20.473   3.825  -5.219
  371    H    TRP  46           H        TRP  46 -13.330   6.902  -5.906
  372    HA   TRP  46           HA       TRP  46 -13.848   4.896  -4.076
  373   1HB   TRP  46          1HB       TRP  46 -15.340   6.910  -4.876
  374   2HB   TRP  46          2HB       TRP  46 -15.759   5.898  -6.211
  375    HD1  TRP  46           HD1      TRP  46 -15.865   5.533  -2.330
  376    HE1  TRP  46           HE1      TRP  46 -18.145   4.464  -1.696
  377    HE3  TRP  46           HE3      TRP  46 -17.842   5.224  -6.932
  378    HZ2  TRP  46           HZ2      TRP  46 -20.514   3.569  -3.071
  379    HZ3  TRP  46           HZ3      TRP  46 -20.148   4.252  -7.312
  380    HH2  TRP  46           HH2      TRP  46 -21.464   3.423  -5.372
  381    HA   PRO  47           HA       PRO  47 -15.098   3.177  -3.381
  382   1HB   PRO  47          1HB       PRO  47 -15.316   0.582  -2.873
  383   2HB   PRO  47          2HB       PRO  47 -16.458   1.380  -3.986
  384   1HG   PRO  47          1HG       PRO  47 -13.954  -0.166  -4.769
  385   2HG   PRO  47          2HG       PRO  47 -15.623  -0.427  -5.359
  386   1HD   PRO  47          1HD       PRO  47 -13.807   1.152  -6.699
  387   2HD   PRO  47          2HD       PRO  47 -15.549   1.538  -6.673
  388    OH   TYR  48           OH       TYR  48 -10.555  -2.723  -7.398
  389    H    TYR  48           H        TYR  48 -12.093   2.802  -4.753
  390    HA   TYR  48           HA       TYR  48 -10.789   1.292  -2.598
  391   1HB   TYR  48          1HB       TYR  48  -9.665   2.830  -4.976
  392   2HB   TYR  48          2HB       TYR  48  -8.725   1.949  -3.784
  393    HD1  TYR  48           HD1      TYR  48 -11.144   1.710  -6.601
  394    HD2  TYR  48           HD2      TYR  48  -8.690  -0.543  -3.864
  395    HE1  TYR  48           HE1      TYR  48 -11.543  -0.348  -7.930
  396    HE2  TYR  48           HE2      TYR  48  -9.049  -2.578  -5.222
  397    HH   TYR  48           HH       TYR  48 -10.104  -3.497  -7.056
  398    H    GLN  49           H        GLN  49  -9.169   2.237  -1.232
  399    HA   GLN  49           HA       GLN  49  -8.559   5.003  -1.574
  400   1HB   GLN  49          2HB       GLN  49 -10.769   4.884  -0.058
  401   2HB   GLN  49          1HB       GLN  49  -9.592   4.397   1.169
  402   1HG   GLN  49          1HG       GLN  49 -10.092   6.815   1.230
  403   2HG   GLN  49          2HG       GLN  49  -8.384   6.471   0.971
  404   1HE2  GLN  49          2HE2      GLN  49  -9.938   7.542  -2.641
  405   2HE2  GLN  49          1HE2      GLN  49 -10.469   6.067  -1.869
  406    H    THR  50           H        THR  50  -6.755   5.560  -0.695
  407    HA   THR  50           HA       THR  50  -4.907   3.483   0.228
  408    HB   THR  50           HB       THR  50  -3.354   5.585  -0.227
  409    HG1  THR  50           HG1      THR  50  -4.270   7.074  -1.543
  410   1HG2  THR  50          1HG2      THR  50  -3.482   3.509  -1.597
  411   2HG2  THR  50          2HG2      THR  50  -4.834   4.208  -2.505
  412   3HG2  THR  50          3HG2      THR  50  -3.224   4.963  -2.584
  413    H    GLU  51           H        GLU  51  -4.055   3.364   2.195
  414    HA   GLU  51           HA       GLU  51  -4.208   5.758   3.981
  415   1HB   GLU  51          1HB       GLU  51  -4.190   4.333   5.945
  416   2HB   GLU  51          2HB       GLU  51  -5.661   4.177   4.990
  417   1HG   GLU  51          2HG       GLU  51  -4.548   2.169   3.890
  418   2HG   GLU  51          1HG       GLU  51  -3.316   2.264   5.167
  419    H    CYS  52           H        CYS  52  -2.192   6.313   4.867
  420    HA   CYS  52           HA       CYS  52   0.067   5.141   3.353
  421   1HB   CYS  52          2HB       CYS  52  -0.499   7.917   4.402
  422   2HB   CYS  52          1HB       CYS  52   0.912   7.413   3.470
  423    H    CYS  53           H        CYS  53   2.216   5.393   4.211
  424    HA   CYS  53           HA       CYS  53   2.612   5.822   7.061
  425   1HB   CYS  53          2HB       CYS  53   3.567   3.634   7.527
  426   2HB   CYS  53          1HB       CYS  53   1.868   3.473   7.064
  427    H    LYS  54           H        LYS  54   5.083   5.431   7.523
  428    HA   LYS  54           HA       LYS  54   6.765   5.956   5.168
  429   1HB   LYS  54          1HB       LYS  54   8.013   7.433   6.820
  430   2HB   LYS  54          2HB       LYS  54   6.565   8.131   6.082
  431   1HG   LYS  54          2HG       LYS  54   5.284   7.709   8.130
  432   2HG   LYS  54          1HG       LYS  54   6.678   6.885   8.869
  433   1HD   LYS  54          1HD       LYS  54   7.996   8.993   8.684
  434   2HD   LYS  54          2HD       LYS  54   6.580   9.819   8.011
  435   1HE   LYS  54          1HE       LYS  54   6.755   8.528  10.781
  436   2HE   LYS  54          2HE       LYS  54   6.887  10.260  10.439
  437   1HZ   LYS  54          1HZ       LYS  54   4.659  10.198   9.569
  438   2HZ   LYS  54          2HZ       LYS  54   4.525   8.594   9.930
  439   3HZ   LYS  54          3HZ       LYS  54   4.703   9.697  11.138
  440    H    GLY  55           H        GLY  55   8.702   4.914   5.282
  441   1HA   GLY  55          2HA       GLY  55  10.470   3.999   6.804
  442   2HA   GLY  55          1HA       GLY  55   9.204   3.102   7.643
  443    H    ASP  56           H        ASP  56  11.439   1.851   6.476
  444    HA   ASP  56           HA       ASP  56  11.068   0.914   3.809
  445   1HB   ASP  56          1HB       ASP  56  12.678  -0.823   4.517
  446   2HB   ASP  56          2HB       ASP  56  13.237   0.820   4.850
  447    NH1  ARG  57           NH1      ARG  57   9.776  -8.031   4.501
  448    NH2  ARG  57           NH2      ARG  57   7.486  -7.997   4.816
  449    H    ARG  57           H        ARG  57   9.507  -0.291   3.111
  450    HA   ARG  57           HA       ARG  57   7.610  -1.587   3.031
  451   1HB   ARG  57          1HB       ARG  57   7.905  -3.857   3.667
  452   2HB   ARG  57          2HB       ARG  57   9.347  -3.260   2.878
  453   1HG   ARG  57          1HG       ARG  57  10.574  -3.178   4.956
  454   2HG   ARG  57          2HG       ARG  57   9.120  -3.535   5.901
  455   1HD   ARG  57          1HD       ARG  57  10.389  -5.372   3.825
  456   2HD   ARG  57          2HD       ARG  57  10.618  -5.501   5.581
  457    HE   ARG  57           HE       ARG  57   7.842  -5.525   5.110
  458   1HH1  ARG  57          1HH1      ARG  57  10.653  -7.538   4.439
  459   2HH1  ARG  57          2HH1      ARG  57   9.759  -9.031   4.369
  460   1HH2  ARG  57          2HH2      ARG  57   6.612  -7.495   4.938
  461   2HH2  ARG  57          1HH2      ARG  57   7.448  -8.999   4.706
  462    H    CYS  58           H        CYS  58   7.505   0.493   5.025
  463    HA   CYS  58           HA       CYS  58   6.510  -0.338   7.490
  464   1HB   CYS  58          2HB       CYS  58   5.429   1.830   7.585
  465   2HB   CYS  58          1HB       CYS  58   7.067   1.955   6.956
  466    H    ASN  59           H        ASN  59   4.952  -0.434   4.346
  467    HA   ASN  59           HA       ASN  59   2.238  -0.862   5.426
  468   1HB   ASN  59          2HB       ASN  59   1.731  -1.273   2.990
  469   2HB   ASN  59          1HB       ASN  59   2.245   0.362   3.403
  470   1HD2  ASN  59          1HD2      ASN  59   3.969  -0.095   0.322
  471   2HD2  ASN  59          2HD2      ASN  59   2.394   0.240   0.868
  472    H    LYS  60           H        LYS  60   3.385  -2.476   6.780
  473    HA   LYS  60           HA       LYS  60   4.375  -4.965   5.880
  474   1HB   LYS  60          2HB       LYS  60   3.015  -4.129   8.463
  475   2HB   LYS  60          1HB       LYS  60   3.808  -5.689   8.244
  476   1HG   LYS  60          2HG       LYS  60   5.262  -3.024   7.906
  477   2HG   LYS  60          1HG       LYS  60   5.156  -3.914   9.430
  478   1HD   LYS  60          2HD       LYS  60   6.211  -5.900   8.322
  479   2HD   LYS  60          1HD       LYS  60   6.417  -4.934   6.846
  480   1HE   LYS  60          1HE       LYS  60   7.824  -3.319   8.050
  481   2HE   LYS  60          2HE       LYS  60   7.586  -4.203   9.570
  482   1HZ   LYS  60          2HZ       LYS  60   8.880  -5.285   7.171
  483   2HZ   LYS  60          3HZ       LYS  60   9.654  -4.748   8.522
  484   3HZ   LYS  60          1HZ       LYS  60   8.680  -6.077   8.601
   
  Start of MODEL          12
 Raw file had  484 H/Q atoms
  Start of MODEL   12
    1    NH1  ARG   1           NH1      ARG   1  14.135   5.398   5.456
    2    NH2  ARG   1           NH2      ARG   1  13.356   7.558   5.809
    3   1H    ARG   1          1H        ARG   1  12.801   4.191  -1.844
    4   2H    ARG   1          2H        ARG   1  11.753   5.076  -0.982
    5   3H    ARG   1          3H        ARG   1  13.348   5.414  -0.859
    6    HA   ARG   1           HA       ARG   1  13.797   3.503   0.411
    7   1HB   ARG   1          2HB       ARG   1  10.973   4.519   1.015
    8   2HB   ARG   1          1HB       ARG   1  11.705   3.248   1.960
    9   1HG   ARG   1          1HG       ARG   1  13.711   4.812   2.362
   10   2HG   ARG   1          2HG       ARG   1  12.643   6.105   1.776
   11   1HD   ARG   1          2HD       ARG   1  10.861   4.965   3.386
   12   2HD   ARG   1          1HD       ARG   1  12.255   4.091   3.998
   13    HE   ARG   1           HE       ARG   1  11.587   6.979   4.264
   14   1HH1  ARG   1          1HH1      ARG   1  14.066   4.490   5.002
   15   2HH1  ARG   1          2HH1      ARG   1  14.901   5.553   6.093
   16   1HH2  ARG   1          1HH2      ARG   1  12.681   8.276   5.557
   17   2HH2  ARG   1          2HH2      ARG   1  14.097   7.764   6.461
   18    H    ILE   2           H        ILE   2  12.486   1.470   1.482
   19    HA   ILE   2           HA       ILE   2  11.572  -0.127  -0.885
   20    HB   ILE   2           HB       ILE   2  12.247  -0.952   1.966
   21   1HG1  ILE   2          2HG1      ILE   2  13.656  -1.221  -0.734
   22   2HG1  ILE   2          1HG1      ILE   2  14.243  -0.414   0.733
   23   1HG2  ILE   2          2HG2      ILE   2  10.415  -2.388   0.944
   24   2HG2  ILE   2          1HG2      ILE   2  11.514  -2.736  -0.404
   25   3HG2  ILE   2          3HG2      ILE   2  11.889  -3.253   1.244
   26   1HD1  ILE   2          3HD1      ILE   2  14.168  -2.679   1.874
   27   2HD1  ILE   2          2HD1      ILE   2  13.868  -3.397   0.267
   28   3HD1  ILE   2          1HD1      ILE   2  15.372  -2.515   0.569
   29    H    CYS   3           H        CYS   3   9.472  -0.964  -0.989
   30    HA   CYS   3           HA       CYS   3   7.599  -0.377   1.236
   31   1HB   CYS   3          1HB       CYS   3   6.990   0.289  -1.670
   32   2HB   CYS   3          2HB       CYS   3   5.894   0.404  -0.317
   33    OH   TYR   4           OH       TYR   4   6.018  -7.095   5.364
   34    H    TYR   4           H        TYR   4   5.679  -1.691   1.034
   35    HA   TYR   4           HA       TYR   4   6.154  -4.295  -0.210
   36   1HB   TYR   4          1HB       TYR   4   3.884  -3.040   1.353
   37   2HB   TYR   4          2HB       TYR   4   3.627  -4.498   0.418
   38    HD1  TYR   4           HD1      TYR   4   6.054  -3.191   3.020
   39    HD2  TYR   4           HD2      TYR   4   3.793  -6.524   1.463
   40    HE1  TYR   4           HE1      TYR   4   6.754  -4.578   4.943
   41    HE2  TYR   4           HE2      TYR   4   4.436  -7.854   3.423
   42    HH   TYR   4           HH       TYR   4   6.594  -6.634   5.979
   43    H    SER   5           H        SER   5   4.985  -5.032  -2.046
   44    HA   SER   5           HA       SER   5   3.245  -3.071  -3.458
   45   1HB   SER   5          1HB       SER   5   5.664  -4.333  -4.783
   46   2HB   SER   5          2HB       SER   5   4.483  -3.228  -5.513
   47    HG   SER   5           HG       SER   5   5.253  -1.963  -3.393
   48    H    HIS   6           H        HIS   6   2.358  -5.220  -2.093
   49    HA   HIS   6           HA       HIS   6   1.960  -7.463  -3.929
   50   1HB   HIS   6          1HB       HIS   6   1.384  -8.498  -2.045
   51   2HB   HIS   6          2HB       HIS   6   1.570  -7.014  -1.130
   52    HD1  HIS   6           HD1      HIS   6  -0.769  -5.390  -1.272
   53    HD2  HIS   6           HD2      HIS   6  -1.136  -9.543  -1.758
   54    HE1  HIS   6           HE1      HIS   6  -3.186  -6.017  -0.801
   55    H    LYS   7           H        LYS   7  -0.021  -7.837  -5.057
   56    HA   LYS   7           HA       LYS   7  -2.058  -5.677  -5.240
   57   1HB   LYS   7          1HB       LYS   7  -1.740  -6.234  -7.896
   58   2HB   LYS   7          2HB       LYS   7  -1.105  -4.833  -7.057
   59   1HG   LYS   7          1HG       LYS   7   0.624  -5.668  -8.438
   60   2HG   LYS   7          2HG       LYS   7   1.088  -5.915  -6.767
   61   1HD   LYS   7          1HD       LYS   7   0.094  -8.356  -7.135
   62   2HD   LYS   7          2HD       LYS   7   0.133  -7.936  -8.842
   63   1HE   LYS   7          2HE       LYS   7   2.158  -9.133  -8.297
   64   2HE   LYS   7          1HE       LYS   7   2.621  -7.442  -8.563
   65   1HZ   LYS   7          2HZ       LYS   7   2.127  -8.682  -5.937
   66   2HZ   LYS   7          3HZ       LYS   7   3.619  -8.441  -6.603
   67   3HZ   LYS   7          1HZ       LYS   7   2.687  -7.149  -6.195
   68    H    ALA   8           H        ALA   8  -3.301  -7.152  -4.076
   69    HA   ALA   8           HA       ALA   8  -4.404  -9.042  -3.536
   70   1HB   ALA   8          3HB       ALA   8  -5.807  -8.070  -5.370
   71   2HB   ALA   8          1HB       ALA   8  -4.946  -9.083  -6.552
   72   3HB   ALA   8          2HB       ALA   8  -5.945  -9.836  -5.293
   73    H    SER   9           H        SER   9  -1.624  -9.361  -4.094
   74    HA   SER   9           HA       SER   9  -1.359 -12.166  -5.079
   75   1HB   SER   9          2HB       SER   9   1.030 -11.471  -5.369
   76   2HB   SER   9          1HB       SER   9  -0.108 -10.552  -6.376
   77    HG   SER   9           HG       SER   9   0.971  -9.784  -3.865
   78    H    LEU  10           H        LEU  10  -2.264 -12.693  -2.976
   79    HA   LEU  10           HA       LEU  10  -1.790 -12.398  -0.491
   80   1HB   LEU  10          1HB       LEU  10  -1.520 -15.092  -1.847
   81   2HB   LEU  10          2HB       LEU  10  -1.707 -14.891  -0.101
   82    HG   LEU  10           HG       LEU  10  -3.704 -13.968  -2.223
   83   1HD1  LEU  10          2HD1      LEU  10  -3.499 -16.422  -2.083
   84   2HD1  LEU  10          3HD1      LEU  10  -3.759 -16.350  -0.327
   85   3HD1  LEU  10          1HD1      LEU  10  -5.054 -15.867  -1.443
   86   1HD2  LEU  10          3HD2      LEU  10  -3.870 -14.017   0.827
   87   2HD2  LEU  10          1HD2      LEU  10  -3.961 -12.580  -0.219
   88   3HD2  LEU  10          2HD2      LEU  10  -5.255 -13.776  -0.255
   89    HA   PRO  11           HA       PRO  11   2.500 -14.195   0.379
   90   1HB   PRO  11          1HB       PRO  11   4.304 -14.453  -1.662
   91   2HB   PRO  11          2HB       PRO  11   3.258 -15.782  -1.080
   92   1HG   PRO  11          1HG       PRO  11   2.740 -13.949  -3.439
   93   2HG   PRO  11          2HG       PRO  11   2.596 -15.734  -3.390
   94   1HD   PRO  11          2HD       PRO  11   0.399 -14.187  -3.095
   95   2HD   PRO  11          1HD       PRO  11   0.613 -15.583  -2.003
   96    NH1  ARG  12           NH2      ARG  12   3.325  -7.705   5.974
   97    NH2  ARG  12           NH1      ARG  12   1.129  -8.187   6.272
   98    H    ARG  12           H        ARG  12   3.524 -12.591   1.280
   99    HA   ARG  12           HA       ARG  12   3.319  -9.898   0.509
  100   1HB   ARG  12          2HB       ARG  12   5.131 -11.366   2.469
  101   2HB   ARG  12          1HB       ARG  12   5.173  -9.611   2.259
  102   1HG   ARG  12          1HG       ARG  12   2.794  -9.423   2.809
  103   2HG   ARG  12          2HG       ARG  12   2.622 -11.175   2.915
  104   1HD   ARG  12          1HD       ARG  12   3.912 -11.304   4.911
  105   2HD   ARG  12          2HD       ARG  12   4.536  -9.671   4.744
  106    HE   ARG  12           HE       ARG  12   1.709 -10.447   5.373
  107   1HH1  ARG  12          2HH2      ARG  12   4.287  -7.899   5.724
  108   2HH1  ARG  12          1HH2      ARG  12   3.063  -6.784   6.331
  109   1HH2  ARG  12          1HH1      ARG  12   0.316  -8.779   6.217
  110   2HH2  ARG  12          2HH1      ARG  12   1.054  -7.213   6.583
  111    H    ALA  13           H        ALA  13   4.258  -8.810  -1.048
  112    HA   ALA  13           HA       ALA  13   6.960  -9.565  -2.083
  113   1HB   ALA  13          1HB       ALA  13   4.600  -8.253  -3.503
  114   2HB   ALA  13          2HB       ALA  13   6.196  -8.585  -4.211
  115   3HB   ALA  13          3HB       ALA  13   5.147  -9.931  -3.716
  116    H    THR  14           H        THR  14   8.505  -7.982  -1.864
  117    HA   THR  14           HA       THR  14   7.673  -5.191  -1.289
  118    HB   THR  14           HB       THR  14   9.374  -5.059   0.426
  119    HG1  THR  14           HG1      THR  14  10.409  -7.130  -0.753
  120   1HG2  THR  14          1HG2      THR  14   7.110  -5.946   1.095
  121   2HG2  THR  14          2HG2      THR  14   7.758  -7.592   0.997
  122   3HG2  THR  14          3HG2      THR  14   8.408  -6.452   2.182
  123    H    LYS  15           H        LYS  15   9.160  -3.572  -2.000
  124    HA   LYS  15           HA       LYS  15  11.566  -4.391  -3.394
  125   1HB   LYS  15          2HB       LYS  15  10.894  -3.694  -5.642
  126   2HB   LYS  15          1HB       LYS  15   9.942  -5.078  -5.126
  127   1HG   LYS  15          2HG       LYS  15   7.978  -3.813  -4.863
  128   2HG   LYS  15          1HG       LYS  15   8.838  -2.277  -4.715
  129   1HD   LYS  15          2HD       LYS  15   9.526  -2.331  -7.050
  130   2HD   LYS  15          1HD       LYS  15   8.795  -3.930  -7.276
  131   1HE   LYS  15          2HE       LYS  15   7.418  -2.049  -8.181
  132   2HE   LYS  15          1HE       LYS  15   6.561  -3.022  -6.976
  133   1HZ   LYS  15          3HZ       LYS  15   7.921  -0.493  -6.358
  134   2HZ   LYS  15          2HZ       LYS  15   6.311  -0.622  -6.702
  135   3HZ   LYS  15          1HZ       LYS  15   6.924  -1.373  -5.374
  136    H    THR  16           H        THR  16  12.428  -2.458  -4.712
  137    HA   THR  16           HA       THR  16  12.560  -0.219  -2.935
  138    HB   THR  16           HB       THR  16  13.706  -0.442  -5.741
  139    HG1  THR  16           HG1      THR  16  14.629  -1.670  -3.351
  140   1HG2  THR  16          1HG2      THR  16  14.764   0.786  -3.140
  141   2HG2  THR  16          3HG2      THR  16  15.624   0.740  -4.691
  142   3HG2  THR  16          2HG2      THR  16  14.137   1.688  -4.539
  143    H    CYS  17           H        CYS  17  11.904   1.842  -3.266
  144    HA   CYS  17           HA       CYS  17  10.264   2.678  -5.582
  145   1HB   CYS  17          1HB       CYS  17   9.655   2.975  -2.599
  146   2HB   CYS  17          2HB       CYS  17   8.837   3.871  -3.882
  147    H    VAL  18           H        VAL  18  10.390   5.082  -5.758
  148    HA   VAL  18           HA       VAL  18  12.980   6.079  -4.923
  149    HB   VAL  18           HB       VAL  18  11.891   6.643  -7.023
  150   1HG1  VAL  18          1HG1      VAL  18   9.523   6.985  -6.286
  151   2HG1  VAL  18          3HG1      VAL  18  10.023   8.576  -5.648
  152   3HG1  VAL  18          2HG1      VAL  18  10.185   8.217  -7.364
  153   1HG2  VAL  18          2HG2      VAL  18  13.691   8.055  -6.096
  154   2HG2  VAL  18          1HG2      VAL  18  12.554   9.010  -7.063
  155   3HG2  VAL  18          3HG2      VAL  18  12.482   9.078  -5.291
  156    H    GLU  19           H        GLU  19   9.696   7.100  -4.211
  157    HA   GLU  19           HA       GLU  19  10.193   9.016  -2.310
  158   1HB   GLU  19          1HB       GLU  19   7.814   7.258  -2.952
  159   2HB   GLU  19          2HB       GLU  19   7.728   8.109  -1.446
  160   1HG   GLU  19          1HG       GLU  19   8.329   9.526  -4.053
  161   2HG   GLU  19          2HG       GLU  19   6.731   9.404  -3.313
  162    H    ASN  20           H        ASN  20   9.572   9.225  -0.185
  163    HA   ASN  20           HA       ASN  20  10.878   7.361   1.681
  164   1HB   ASN  20          2HB       ASN  20  11.312   9.727   1.925
  165   2HB   ASN  20          1HB       ASN  20   9.587  10.109   1.909
  166   1HD2  ASN  20          2HD2      ASN  20   9.147   9.556   5.370
  167   2HD2  ASN  20          1HD2      ASN  20   8.378   9.960   3.849
  168    H    THR  21           H        THR  21   7.663   8.173   0.498
  169    HA   THR  21           HA       THR  21   6.336   6.867   2.760
  170    HB   THR  21           HB       THR  21   4.334   7.954   1.497
  171    HG1  THR  21           HG1      THR  21   5.109   9.785   0.245
  172   1HG2  THR  21          2HG2      THR  21   6.481   9.731   2.738
  173   2HG2  THR  21          3HG2      THR  21   4.767  10.148   2.538
  174   3HG2  THR  21          1HG2      THR  21   5.230   8.828   3.623
  175    H    CYS  22           H        CYS  22   4.688   5.393   2.410
  176    HA   CYS  22           HA       CYS  22   4.556   4.002  -0.197
  177   1HB   CYS  22          1HB       CYS  22   4.518   2.545   2.453
  178   2HB   CYS  22          2HB       CYS  22   4.644   1.890   0.832
  179    OH   TYR  23           OH       TYR  23  -0.274   1.626  -5.428
  180    H    TYR  23           H        TYR  23   2.523   2.537  -0.040
  181    HA   TYR  23           HA       TYR  23   0.500   3.559   1.897
  182   1HB   TYR  23          1HB       TYR  23  -1.174   3.810   0.188
  183   2HB   TYR  23          2HB       TYR  23   0.225   4.779  -0.178
  184    HD1  TYR  23           HD2      TYR  23  -1.751   1.782  -1.131
  185    HD2  TYR  23           HD1      TYR  23   1.615   4.225  -2.215
  186    HE1  TYR  23           HE2      TYR  23  -1.814   0.841  -3.414
  187    HE2  TYR  23           HE1      TYR  23   1.418   3.425  -4.563
  188    HH   TYR  23           HH       TYR  23  -0.981   0.990  -5.598
  189    H    LYS  24           H        LYS  24  -1.362   2.317   1.895
  190    HA   LYS  24           HA       LYS  24  -1.230  -0.360   0.656
  191   1HB   LYS  24          1HB       LYS  24  -2.127  -1.491   2.626
  192   2HB   LYS  24          2HB       LYS  24  -0.521  -0.797   2.918
  193   1HG   LYS  24          1HG       LYS  24  -1.508   1.069   4.156
  194   2HG   LYS  24          2HG       LYS  24  -3.131   0.421   3.812
  195   1HD   LYS  24          1HD       LYS  24  -2.518  -0.188   6.052
  196   2HD   LYS  24          2HD       LYS  24  -2.644  -1.632   5.040
  197   1HE   LYS  24          2HE       LYS  24  -0.181  -1.786   4.893
  198   2HE   LYS  24          1HE       LYS  24  -0.009  -0.247   5.759
  199   1HZ   LYS  24          2HZ       LYS  24  -1.284  -2.643   6.872
  200   2HZ   LYS  24          3HZ       LYS  24   0.287  -2.249   7.113
  201   3HZ   LYS  24          1HZ       LYS  24  -0.907  -1.256   7.677
  202    H    MET  25           H        MET  25  -2.952  -0.684  -0.468
  203    HA   MET  25           HA       MET  25  -5.212   1.264  -0.364
  204   1HB   MET  25          2HB       MET  25  -3.942   1.237  -2.443
  205   2HB   MET  25          1HB       MET  25  -4.351  -0.472  -2.601
  206   1HG   MET  25          2HG       MET  25  -6.708   0.034  -2.852
  207   2HG   MET  25          1HG       MET  25  -6.460   1.682  -2.283
  208   1HE   MET  25          2HE       MET  25  -6.578  -0.720  -5.186
  209   2HE   MET  25          1HE       MET  25  -5.939   0.205  -6.564
  210   3HE   MET  25          3HE       MET  25  -4.822  -0.456  -5.358
  211    H    PHE  26           H        PHE  26  -7.203   0.591   0.155
  212    HA   PHE  26           HA       PHE  26  -7.850  -2.315   0.230
  213   1HB   PHE  26          1HB       PHE  26  -9.019  -1.838   2.386
  214   2HB   PHE  26          2HB       PHE  26  -7.275  -1.632   2.485
  215    HD1  PHE  26           HD1      PHE  26  -6.243   0.635   2.682
  216    HD2  PHE  26           HD2      PHE  26 -10.518   0.111   2.601
  217    HE1  PHE  26           HE1      PHE  26  -6.565   2.920   3.574
  218    HE2  PHE  26           HE2      PHE  26 -10.816   2.294   3.714
  219    HZ   PHE  26           HZ       PHE  26  -8.826   3.701   4.234
  220    H    ILE  27           H        ILE  27 -10.231  -2.651   0.265
  221    HA   ILE  27           HA       ILE  27 -11.565  -0.733  -1.538
  222    HB   ILE  27           HB       ILE  27 -12.450  -3.351  -0.280
  223   1HG1  ILE  27          1HG1      ILE  27 -11.889  -2.448  -3.147
  224   2HG1  ILE  27          2HG1      ILE  27 -10.860  -3.490  -2.153
  225   1HG2  ILE  27          2HG2      ILE  27 -14.393  -1.777  -0.429
  226   2HG2  ILE  27          3HG2      ILE  27 -14.037  -1.528  -2.146
  227   3HG2  ILE  27          1HG2      ILE  27 -14.560  -3.114  -1.548
  228   1HD1  ILE  27          2HD1      ILE  27 -12.760  -5.154  -2.055
  229   2HD1  ILE  27          1HD1      ILE  27 -13.604  -4.157  -3.269
  230   3HD1  ILE  27          3HD1      ILE  27 -12.048  -4.895  -3.665
  231    NH1  ARG  28           NH2      ARG  28 -14.119   7.683  -1.226
  232    NH2  ARG  28           NH1      ARG  28 -12.253   6.805  -2.287
  233    H    ARG  28           H        ARG  28 -12.767   0.890  -0.823
  234    HA   ARG  28           HA       ARG  28 -12.382   1.993   1.644
  235   1HB   ARG  28          1HB       ARG  28 -13.294   2.977  -0.537
  236   2HB   ARG  28          2HB       ARG  28 -14.906   2.494   0.007
  237   1HG   ARG  28          1HG       ARG  28 -14.729   3.921   1.979
  238   2HG   ARG  28          2HG       ARG  28 -13.020   4.234   1.673
  239   1HD   ARG  28          2HD       ARG  28 -15.341   5.194  -0.045
  240   2HD   ARG  28          1HD       ARG  28 -14.337   6.155   1.050
  241    HE   ARG  28           HE       ARG  28 -12.693   4.817  -0.917
  242   1HH1  ARG  28          1HH2      ARG  28 -14.876   7.569  -0.569
  243   2HH1  ARG  28          2HH2      ARG  28 -14.030   8.546  -1.740
  244   1HH2  ARG  28          1HH1      ARG  28 -11.621   6.019  -2.442
  245   2HH2  ARG  28          2HH1      ARG  28 -12.066   7.670  -2.769
  246    H    THR  29           H        THR  29 -15.206   0.006   0.778
  247    HA   THR  29           HA       THR  29 -16.532   0.327   3.344
  248    HB   THR  29           HB       THR  29 -17.802  -1.714   2.434
  249    HG1  THR  29           HG1      THR  29 -17.312  -2.268   0.293
  250   1HG2  THR  29          3HG2      THR  29 -18.601   0.609   2.057
  251   2HG2  THR  29          1HG2      THR  29 -17.591   0.726   0.600
  252   3HG2  THR  29          2HG2      THR  29 -18.941  -0.425   0.657
  253    H    HIS  30           H        HIS  30 -14.863  -2.375   1.745
  254    HA   HIS  30           HA       HIS  30 -14.563  -3.924   4.176
  255   1HB   HIS  30          2HB       HIS  30 -13.321  -4.369   1.445
  256   2HB   HIS  30          1HB       HIS  30 -13.597  -5.562   2.707
  257    HD1  HIS  30           HD1      HIS  30 -16.576  -4.866   3.402
  258    HD2  HIS  30           HD2      HIS  30 -15.060  -5.272  -0.481
  259    HE1  HIS  30           HE1      HIS  30 -18.550  -5.315   1.866
  260    NH1  ARG  31           NH2      ARG  31 -15.982  -2.079   7.310
  261    NH2  ARG  31           NH1      ARG  31 -16.385  -2.534   9.535
  262    H    ARG  31           H        ARG  31 -13.502  -1.793   5.006
  263    HA   ARG  31           HA       ARG  31 -10.921  -0.979   4.513
  264   1HB   ARG  31          1HB       ARG  31 -10.994  -0.187   6.876
  265   2HB   ARG  31          2HB       ARG  31 -12.449   0.165   5.941
  266   1HG   ARG  31          2HG       ARG  31 -13.283  -2.175   7.036
  267   2HG   ARG  31          1HG       ARG  31 -12.082  -1.749   8.238
  268   1HD   ARG  31          2HD       ARG  31 -13.232   0.391   8.631
  269   2HD   ARG  31          1HD       ARG  31 -14.341   0.097   7.286
  270    HE   ARG  31           HE       ARG  31 -14.479  -0.994   9.966
  271   1HH1  ARG  31          1HH2      ARG  31 -15.468  -1.611   6.570
  272   2HH1  ARG  31          2HH2      ARG  31 -16.729  -2.699   7.042
  273   1HH2  ARG  31          1HH1      ARG  31 -16.151  -2.416  10.510
  274   2HH2  ARG  31          2HH1      ARG  31 -17.137  -3.155   9.279
  275    H    GLU  32           H        GLU  32 -11.897  -3.920   6.214
  276    HA   GLU  32           HA       GLU  32  -9.157  -4.434   7.063
  277   1HB   GLU  32          2HB       GLU  32 -10.175  -6.412   8.128
  278   2HB   GLU  32          1HB       GLU  32 -11.048  -4.963   8.608
  279   1HG   GLU  32          2HG       GLU  32 -12.027  -6.659   6.263
  280   2HG   GLU  32          1HG       GLU  32 -12.327  -7.155   7.919
  281    OH   TYR  33           OH       TYR  33  -8.483  -8.106  -2.840
  282    H    TYR  33           H        TYR  33 -10.148  -4.495   4.227
  283    HA   TYR  33           HA       TYR  33  -8.710  -7.018   3.437
  284   1HB   TYR  33          1HB       TYR  33 -10.985  -7.350   2.787
  285   2HB   TYR  33          2HB       TYR  33 -11.108  -5.711   2.144
  286    HD1  TYR  33           HD2      TYR  33  -8.859  -8.711   1.649
  287    HD2  TYR  33           HD1      TYR  33 -11.021  -5.448  -0.161
  288    HE1  TYR  33           HE2      TYR  33  -7.939  -9.321  -0.570
  289    HE2  TYR  33           HE1      TYR  33 -10.154  -6.104  -2.380
  290    HH   TYR  33           HH       TYR  33  -8.850  -7.595  -3.563
  291    H    ILE  34           H        ILE  34  -6.697  -6.220   3.117
  292    HA   ILE  34           HA       ILE  34  -6.258  -3.689   1.692
  293    HB   ILE  34           HB       ILE  34  -4.233  -5.839   2.434
  294   1HG1  ILE  34          2HG1      ILE  34  -5.214  -5.213   4.523
  295   2HG1  ILE  34          1HG1      ILE  34  -3.661  -4.402   4.376
  296   1HG2  ILE  34          2HG2      ILE  34  -3.980  -2.875   1.724
  297   2HG2  ILE  34          3HG2      ILE  34  -2.658  -3.932   2.261
  298   3HG2  ILE  34          1HG2      ILE  34  -3.473  -4.245   0.730
  299   1HD1  ILE  34          3HD1      ILE  34  -4.886  -2.283   3.723
  300   2HD1  ILE  34          2HD1      ILE  34  -6.415  -3.146   4.029
  301   3HD1  ILE  34          1HD1      ILE  34  -5.269  -2.881   5.344
  302    H    SER  35           H        SER  35  -6.312  -3.605  -0.477
  303    HA   SER  35           HA       SER  35  -6.585  -6.078  -2.060
  304   1HB   SER  35          1HB       SER  35  -6.814  -3.220  -3.053
  305   2HB   SER  35          2HB       SER  35  -7.609  -4.688  -3.652
  306    HG   SER  35           HG       SER  35  -8.497  -4.614  -1.302
  307    H    GLU  36           H        GLU  36  -4.463  -3.191  -1.728
  308    HA   GLU  36           HA       GLU  36  -2.364  -4.546  -3.258
  309   1HB   GLU  36          1HB       GLU  36  -3.647  -3.506  -5.058
  310   2HB   GLU  36          2HB       GLU  36  -3.762  -1.999  -4.148
  311   1HG   GLU  36          1HG       GLU  36  -1.333  -1.600  -4.457
  312   2HG   GLU  36          2HG       GLU  36  -1.207  -3.112  -5.375
  313    NH1  ARG  37           NH2      ARG  37   1.493  -5.441   3.922
  314    NH2  ARG  37           NH1      ARG  37  -0.323  -4.620   5.048
  315    H    ARG  37           H        ARG  37  -0.335  -3.181  -3.167
  316    HA   ARG  37           HA       ARG  37  -0.295  -1.045  -1.130
  317   1HB   ARG  37          1HB       ARG  37   1.234  -3.672  -1.024
  318   2HB   ARG  37          2HB       ARG  37   1.956  -2.172  -0.417
  319   1HG   ARG  37          1HG       ARG  37   0.488  -1.839   1.240
  320   2HG   ARG  37          2HG       ARG  37  -0.760  -2.882   0.550
  321   1HD   ARG  37          1HD       ARG  37   0.675  -4.887   1.048
  322   2HD   ARG  37          2HD       ARG  37   1.822  -3.778   1.837
  323    HE   ARG  37           HE       ARG  37  -0.823  -3.444   2.888
  324   1HH1  ARG  37          2HH2      ARG  37   2.115  -5.455   3.131
  325   2HH1  ARG  37          1HH2      ARG  37   1.789  -5.822   4.822
  326   1HH2  ARG  37          1HH1      ARG  37  -1.167  -4.076   5.106
  327   2HH2  ARG  37          2HH1      ARG  37   0.119  -4.982   5.897
  328    H    GLY  38           H        GLY  38   1.676   0.281  -1.341
  329   1HA   GLY  38          1HA       GLY  38   3.507  -0.250  -3.498
  330   2HA   GLY  38          2HA       GLY  38   2.224   0.775  -4.125
  331    H    CYS  39           H        CYS  39   4.205   1.977  -4.596
  332    HA   CYS  39           HA       CYS  39   5.785   3.344  -2.630
  333   1HB   CYS  39          1HB       CYS  39   5.341   3.936  -5.595
  334   2HB   CYS  39          2HB       CYS  39   6.702   4.458  -4.619
  335    H    GLY  40           H        GLY  40   5.840   5.594  -2.170
  336   1HA   GLY  40          1HA       GLY  40   4.842   7.555  -1.575
  337   2HA   GLY  40          2HA       GLY  40   5.032   7.836  -3.260
  338    H    CYS  41           H        CYS  41   3.039   6.923  -1.000
  339    HA   CYS  41           HA       CYS  41   0.583   6.154  -1.706
  340   1HB   CYS  41          1HB       CYS  41   1.295   6.744   0.593
  341   2HB   CYS  41          2HB       CYS  41   1.012   8.444   0.221
  342    HA   PRO  42           HA       PRO  42  -1.196   9.531  -4.157
  343   1HB   PRO  42          1HB       PRO  42  -2.324   8.098  -6.152
  344   2HB   PRO  42          2HB       PRO  42  -0.574   8.415  -6.100
  345   1HG   PRO  42          1HG       PRO  42  -2.077   5.915  -5.259
  346   2HG   PRO  42          2HG       PRO  42  -0.560   6.007  -6.195
  347   1HD   PRO  42          2HD       PRO  42  -0.780   5.583  -3.430
  348   2HD   PRO  42          1HD       PRO  42   0.697   6.183  -4.243
  349    H    THR  43           H        THR  43  -3.557   9.815  -4.715
  350    HA   THR  43           HA       THR  43  -5.244   8.734  -2.567
  351    HB   THR  43           HB       THR  43  -6.307  10.349  -4.870
  352    HG1  THR  43           HG1      THR  43  -4.590  11.286  -2.812
  353   1HG2  THR  43          2HG2      THR  43  -6.751  10.465  -1.847
  354   2HG2  THR  43          1HG2      THR  43  -7.594  11.442  -3.064
  355   3HG2  THR  43          3HG2      THR  43  -7.829   9.686  -3.024
  356    H    ALA  44           H        ALA  44  -7.150   7.449  -2.996
  357    HA   ALA  44           HA       ALA  44  -7.264   6.074  -5.652
  358   1HB   ALA  44          3HB       ALA  44  -7.445   4.814  -2.892
  359   2HB   ALA  44          1HB       ALA  44  -7.792   3.999  -4.433
  360   3HB   ALA  44          2HB       ALA  44  -6.154   4.590  -4.092
  361    H    MET  45           H        MET  45  -9.255   6.157  -6.526
  362    HA   MET  45           HA       MET  45 -11.402   7.508  -5.075
  363   1HB   MET  45          1HB       MET  45 -11.129   6.427  -7.915
  364   2HB   MET  45          2HB       MET  45 -12.500   7.360  -7.303
  365   1HG   MET  45          1HG       MET  45  -9.637   8.382  -7.498
  366   2HG   MET  45          2HG       MET  45 -10.965   8.758  -8.586
  367   1HE   MET  45          1HE       MET  45  -8.847  10.284  -6.130
  368   2HE   MET  45          2HE       MET  45  -9.865  10.992  -4.857
  369   3HE   MET  45          3HE       MET  45  -9.603   9.236  -4.902
  370    CH2  TRP  46           CH2      TRP  46 -20.534   3.189  -4.057
  371    H    TRP  46           H        TRP  46 -13.574   6.650  -5.089
  372    HA   TRP  46           HA       TRP  46 -13.800   4.147  -3.880
  373   1HB   TRP  46          1HB       TRP  46 -15.417   6.212  -3.941
  374   2HB   TRP  46          2HB       TRP  46 -16.000   5.522  -5.435
  375    HD1  TRP  46           HD1      TRP  46 -15.273   3.886  -1.977
  376    HE1  TRP  46           HE1      TRP  46 -17.377   2.549  -1.257
  377    HE3  TRP  46           HE3      TRP  46 -18.333   5.203  -5.758
  378    HZ2  TRP  46           HZ2      TRP  46 -20.061   2.156  -2.216
  379    HZ3  TRP  46           HZ3      TRP  46 -20.703   4.350  -5.871
  380    HH2  TRP  46           HH2      TRP  46 -21.551   2.825  -4.100
  381    HA   PRO  47           HA       PRO  47 -15.300   2.068  -3.968
  382   1HB   PRO  47          2HB       PRO  47 -14.726  -0.525  -4.214
  383   2HB   PRO  47          1HB       PRO  47 -16.007   0.255  -5.177
  384   1HG   PRO  47          2HG       PRO  47 -13.140  -0.243  -6.049
  385   2HG   PRO  47          1HG       PRO  47 -14.635  -0.738  -6.901
  386   1HD   PRO  47          2HD       PRO  47 -13.358   1.588  -7.529
  387   2HD   PRO  47          1HD       PRO  47 -15.141   1.519  -7.490
  388    OH   TYR  48           OH       TYR  48  -9.963  -3.306  -6.758
  389    H    TYR  48           H        TYR  48 -12.012   2.606  -4.877
  390    HA   TYR  48           HA       TYR  48 -10.938   1.065  -2.575
  391   1HB   TYR  48          2HB       TYR  48  -9.651   2.539  -4.879
  392   2HB   TYR  48          1HB       TYR  48  -8.747   1.819  -3.545
  393    HD1  TYR  48           HD2      TYR  48  -9.132  -0.739  -3.107
  394    HD2  TYR  48           HD1      TYR  48 -10.287   1.237  -6.763
  395    HE1  TYR  48           HE2      TYR  48  -9.325  -2.933  -4.241
  396    HE2  TYR  48           HE1      TYR  48 -10.431  -0.954  -7.900
  397    HH   TYR  48           HH       TYR  48 -10.221  -3.245  -7.680
  398    H    GLN  49           H        GLN  49  -9.351   2.032  -1.238
  399    HA   GLN  49           HA       GLN  49  -9.077   4.921  -1.239
  400   1HB   GLN  49          2HB       GLN  49 -11.059   3.935   0.428
  401   2HB   GLN  49          1HB       GLN  49  -9.636   3.895   1.483
  402   1HG   GLN  49          1HG       GLN  49 -10.668   6.316  -0.052
  403   2HG   GLN  49          2HG       GLN  49 -10.839   6.050   1.688
  404   1HE2  GLN  49          2HE2      GLN  49  -7.307   6.646   2.314
  405   2HE2  GLN  49          1HE2      GLN  49  -8.780   5.951   2.995
  406    H    THR  50           H        THR  50  -7.094   5.485  -0.416
  407    HA   THR  50           HA       THR  50  -5.191   3.321   0.327
  408    HB   THR  50           HB       THR  50  -3.619   5.416  -0.314
  409    HG1  THR  50           HG1      THR  50  -4.525   6.590  -1.957
  410   1HG2  THR  50          2HG2      THR  50  -4.984   3.600  -2.331
  411   2HG2  THR  50          3HG2      THR  50  -3.467   4.495  -2.596
  412   3HG2  THR  50          1HG2      THR  50  -3.546   3.227  -1.359
  413    H    GLU  51           H        GLU  51  -4.038   3.375   2.174
  414    HA   GLU  51           HA       GLU  51  -4.135   5.865   3.818
  415   1HB   GLU  51          2HB       GLU  51  -3.931   4.571   5.851
  416   2HB   GLU  51          1HB       GLU  51  -5.465   4.301   5.023
  417   1HG   GLU  51          2HG       GLU  51  -4.364   2.269   3.976
  418   2HG   GLU  51          1HG       GLU  51  -3.046   2.471   5.151
  419    H    CYS  52           H        CYS  52  -2.158   6.664   4.212
  420    HA   CYS  52           HA       CYS  52   0.082   5.427   2.815
  421   1HB   CYS  52          2HB       CYS  52  -0.041   8.068   4.240
  422   2HB   CYS  52          1HB       CYS  52   1.020   7.612   2.914
  423    H    CYS  53           H        CYS  53   2.291   5.715   3.790
  424    HA   CYS  53           HA       CYS  53   2.576   6.247   6.626
  425   1HB   CYS  53          2HB       CYS  53   3.615   4.140   7.223
  426   2HB   CYS  53          1HB       CYS  53   1.947   3.859   6.704
  427    H    LYS  54           H        LYS  54   5.017   6.114   7.162
  428    HA   LYS  54           HA       LYS  54   6.720   6.722   4.820
  429   1HB   LYS  54          1HB       LYS  54   7.840   8.243   6.506
  430   2HB   LYS  54          2HB       LYS  54   6.335   8.835   5.783
  431   1HG   LYS  54          2HG       LYS  54   5.101   8.279   7.830
  432   2HG   LYS  54          1HG       LYS  54   6.556   7.542   8.542
  433   1HD   LYS  54          1HD       LYS  54   7.707   9.738   8.450
  434   2HD   LYS  54          2HD       LYS  54   6.259  10.469   7.723
  435   1HE   LYS  54          2HE       LYS  54   4.945   9.883   9.754
  436   2HE   LYS  54          1HE       LYS  54   6.387   9.144  10.476
  437   1HZ   LYS  54          3HZ       LYS  54   6.105  11.969   9.728
  438   2HZ   LYS  54          1HZ       LYS  54   6.039  11.359  11.257
  439   3HZ   LYS  54          2HZ       LYS  54   7.444  11.282  10.401
  440    H    GLY  55           H        GLY  55   8.721   5.760   4.868
  441   1HA   GLY  55          2HA       GLY  55  10.578   4.992   6.268
  442   2HA   GLY  55          1HA       GLY  55   9.450   4.156   7.326
  443    H    ASP  56           H        ASP  56  11.678   2.948   6.100
  444    HA   ASP  56           HA       ASP  56  11.084   1.572   3.688
  445   1HB   ASP  56          2HB       ASP  56  13.024   1.057   5.977
  446   2HB   ASP  56          1HB       ASP  56  12.875  -0.034   4.601
  447    NH1  ARG  57           NH2      ARG  57  13.293  -4.995   3.223
  448    NH2  ARG  57           NH1      ARG  57  12.574  -6.342   1.475
  449    H    ARG  57           H        ARG  57   9.722   0.033   3.315
  450    HA   ARG  57           HA       ARG  57   8.077  -1.547   3.574
  451   1HB   ARG  57          2HB       ARG  57  10.034  -2.503   5.726
  452   2HB   ARG  57          1HB       ARG  57   8.596  -3.394   5.250
  453   1HG   ARG  57          1HG       ARG  57   9.402  -3.395   2.879
  454   2HG   ARG  57          2HG       ARG  57  10.944  -2.722   3.461
  455   1HD   ARG  57          2HD       ARG  57  11.259  -4.715   4.913
  456   2HD   ARG  57          1HD       ARG  57   9.662  -5.303   4.474
  457    HE   ARG  57           HE       ARG  57  10.343  -5.973   2.384
  458   1HH1  ARG  57          2HH2      ARG  57  13.071  -4.408   4.012
  459   2HH1  ARG  57          1HH2      ARG  57  14.255  -5.100   2.937
  460   1HH2  ARG  57          1HH1      ARG  57  11.795  -6.767   0.977
  461   2HH2  ARG  57          2HH1      ARG  57  13.517  -6.482   1.147
  462    H    CYS  58           H        CYS  58   7.753   1.057   5.114
  463    HA   CYS  58           HA       CYS  58   6.610   0.476   7.621
  464   1HB   CYS  58          2HB       CYS  58   5.568   2.622   7.446
  465   2HB   CYS  58          1HB       CYS  58   7.222   2.702   6.849
  466    H    ASN  59           H        ASN  59   5.252   0.105   4.353
  467    HA   ASN  59           HA       ASN  59   2.497  -0.178   5.372
  468   1HB   ASN  59          2HB       ASN  59   1.916  -0.494   3.031
  469   2HB   ASN  59          1HB       ASN  59   2.810   1.003   3.262
  470   1HD2  ASN  59          2HD2      ASN  59   3.926  -0.903   0.159
  471   2HD2  ASN  59          1HD2      ASN  59   2.586   0.029   0.766
  472    H    LYS  60           H        LYS  60   3.712  -1.918   6.773
  473    HA   LYS  60           HA       LYS  60   3.748  -4.568   5.438
  474   1HB   LYS  60          2HB       LYS  60   4.807  -5.431   7.302
  475   2HB   LYS  60          1HB       LYS  60   5.586  -3.873   7.051
  476   1HG   LYS  60          1HG       LYS  60   3.481  -4.546   9.168
  477   2HG   LYS  60          2HG       LYS  60   5.228  -4.433   9.403
  478   1HD   LYS  60          1HD       LYS  60   5.078  -1.995   8.652
  479   2HD   LYS  60          2HD       LYS  60   3.307  -2.183   8.702
  480   1HE   LYS  60          2HE       LYS  60   3.996  -1.163  10.752
  481   2HE   LYS  60          1HE       LYS  60   3.446  -2.809  11.106
  482   1HZ   LYS  60          3HZ       LYS  60   6.250  -1.957  10.813
  483   2HZ   LYS  60          2HZ       LYS  60   5.479  -2.237  12.243
  484   3HZ   LYS  60          1HZ       LYS  60   5.744  -3.479  11.195
   
  Start of MODEL          13
 Raw file had  484 H/Q atoms
  Start of MODEL   13
    1    NH1  ARG   1           NH1      ARG   1  10.371   6.273   4.129
    2    NH2  ARG   1           NH2      ARG   1  12.201   5.457   5.298
    3   1H    ARG   1          1H        ARG   1  14.597   2.806   0.413
    4   2H    ARG   1          2H        ARG   1  13.618   3.468  -0.736
    5   3H    ARG   1          3H        ARG   1  14.296   4.436   0.413
    6    HA   ARG   1           HA       ARG   1  13.044   3.313   2.114
    7   1HB   ARG   1          2HB       ARG   1  12.109   5.344   1.310
    8   2HB   ARG   1          1HB       ARG   1  11.626   4.621  -0.224
    9   1HG   ARG   1          2HG       ARG   1   9.770   5.187   1.335
   10   2HG   ARG   1          1HG       ARG   1   9.755   3.554   0.693
   11   1HD   ARG   1          2HD       ARG   1   9.169   3.968   3.192
   12   2HD   ARG   1          1HD       ARG   1  10.168   2.599   2.770
   13    HE   ARG   1           HE       ARG   1  11.914   3.448   3.929
   14   1HH1  ARG   1          2HH1      ARG   1   9.648   6.177   3.421
   15   2HH1  ARG   1          1HH1      ARG   1  10.384   7.131   4.660
   16   1HH2  ARG   1          2HH2      ARG   1  12.831   4.684   5.511
   17   2HH2  ARG   1          1HH2      ARG   1  12.275   6.311   5.830
   18    H    ILE   2           H        ILE   2  12.613   1.190   2.600
   19    HA   ILE   2           HA       ILE   2  11.917  -0.709   0.467
   20    HB   ILE   2           HB       ILE   2  12.002  -1.084   3.501
   21   1HG1  ILE   2          2HG1      ILE   2  14.225  -0.377   2.722
   22   2HG1  ILE   2          1HG1      ILE   2  14.198  -2.052   3.267
   23   1HG2  ILE   2          1HG2      ILE   2  11.945  -3.055   1.161
   24   2HG2  ILE   2          2HG2      ILE   2  12.277  -3.505   2.848
   25   3HG2  ILE   2          3HG2      ILE   2  10.707  -2.833   2.392
   26   1HD1  ILE   2          3HD1      ILE   2  14.071  -1.170   0.362
   27   2HD1  ILE   2          1HD1      ILE   2  15.513  -1.756   1.209
   28   3HD1  ILE   2          2HD1      ILE   2  14.144  -2.849   0.942
   29    H    CYS   3           H        CYS   3   9.789  -1.188  -0.121
   30    HA   CYS   3           HA       CYS   3   7.704  -0.938   1.984
   31   1HB   CYS   3          1HB       CYS   3   7.658   0.590  -0.638
   32   2HB   CYS   3          2HB       CYS   3   6.201   0.181   0.260
   33    OH   TYR   4           OH       TYR   4   6.814  -6.810   5.815
   34    H    TYR   4           H        TYR   4   5.691  -1.929   1.253
   35    HA   TYR   4           HA       TYR   4   6.369  -4.501   0.025
   36   1HB   TYR   4          1HB       TYR   4   4.063  -3.398   1.633
   37   2HB   TYR   4          2HB       TYR   4   3.923  -4.927   0.803
   38    HD1  TYR   4           HD2      TYR   4   5.363  -6.875   1.520
   39    HD2  TYR   4           HD1      TYR   4   5.483  -3.095   3.591
   40    HE1  TYR   4           HE2      TYR   4   6.384  -7.976   3.495
   41    HE2  TYR   4           HE1      TYR   4   6.355  -4.217   5.591
   42    HH   TYR   4           HH       TYR   4   6.901  -6.207   6.560
   43    H    SER   5           H        SER   5   5.350  -5.321  -1.756
   44    HA   SER   5           HA       SER   5   3.381  -3.685  -3.256
   45   1HB   SER   5          1HB       SER   5   6.158  -4.363  -4.300
   46   2HB   SER   5          2HB       SER   5   4.802  -3.835  -5.315
   47    HG   SER   5           HG       SER   5   5.142  -2.237  -3.111
   48    H    HIS   6           H        HIS   6   2.118  -5.437  -2.495
   49    HA   HIS   6           HA       HIS   6   1.802  -7.506  -4.424
   50   1HB   HIS   6          1HB       HIS   6   1.912  -9.409  -2.975
   51   2HB   HIS   6          2HB       HIS   6   3.464  -8.591  -2.842
   52    HD1  HIS   6           HD1      HIS   6   3.806  -7.119  -0.549
   53    HD2  HIS   6           HD2      HIS   6   0.549  -9.775  -0.632
   54    HE1  HIS   6           HE1      HIS   6   2.970  -7.386   1.845
   55    H    LYS   7           H        LYS   7  -0.394  -8.704  -3.625
   56    HA   LYS   7           HA       LYS   7  -2.030  -7.179  -1.820
   57   1HB   LYS   7          1HB       LYS   7  -3.442  -6.103  -3.302
   58   2HB   LYS   7          2HB       LYS   7  -1.875  -5.794  -4.039
   59   1HG   LYS   7          1HG       LYS   7  -3.996  -7.799  -4.919
   60   2HG   LYS   7          2HG       LYS   7  -3.533  -6.306  -5.719
   61   1HD   LYS   7          1HD       LYS   7  -1.403  -7.175  -6.413
   62   2HD   LYS   7          2HD       LYS   7  -1.588  -8.624  -5.421
   63   1HE   LYS   7          2HE       LYS   7  -2.081  -9.214  -7.698
   64   2HE   LYS   7          1HE       LYS   7  -3.539  -9.356  -6.711
   65   1HZ   LYS   7          1HZ       LYS   7  -2.875  -7.085  -8.462
   66   2HZ   LYS   7          3HZ       LYS   7  -3.962  -8.277  -8.801
   67   3HZ   LYS   7          2HZ       LYS   7  -4.246  -7.233  -7.560
   68    H    ALA   8           H        ALA   8  -4.377  -8.134  -1.992
   69    HA   ALA   8           HA       ALA   8  -5.603 -10.084  -1.696
   70   1HB   ALA   8          3HB       ALA   8  -5.716  -9.577  -4.152
   71   2HB   ALA   8          1HB       ALA   8  -4.427 -10.769  -4.417
   72   3HB   ALA   8          2HB       ALA   8  -5.999 -11.268  -3.750
   73    H    SER   9           H        SER   9  -5.052 -12.702  -2.770
   74    HA   SER   9           HA       SER   9  -3.434 -13.717  -0.562
   75   1HB   SER   9          1HB       SER   9  -4.234 -15.909  -1.573
   76   2HB   SER   9          2HB       SER   9  -5.520 -14.784  -1.102
   77    HG   SER   9           HG       SER   9  -4.471 -15.184  -3.704
   78    H    LEU  10           H        LEU  10  -1.570 -12.323  -1.823
   79    HA   LEU  10           HA       LEU  10  -0.031 -14.297  -3.497
   80   1HB   LEU  10          2HB       LEU  10  -0.193 -11.275  -3.591
   81   2HB   LEU  10          1HB       LEU  10   1.306 -12.068  -3.993
   82    HG   LEU  10           HG       LEU  10   0.211 -13.427  -5.736
   83   1HD1  LEU  10          3HD2      LEU  10  -2.229 -11.687  -5.166
   84   2HD1  LEU  10          2HD2      LEU  10  -2.009 -12.697  -6.606
   85   3HD1  LEU  10          1HD2      LEU  10  -2.128 -13.455  -5.019
   86   1HD2  LEU  10          3HD1      LEU  10   1.384 -11.333  -6.264
   87   2HD2  LEU  10          2HD1      LEU  10  -0.001 -11.564  -7.344
   88   3HD2  LEU  10          1HD1      LEU  10  -0.109 -10.411  -5.997
   89    HA   PRO  11           HA       PRO  11   2.832 -14.397  -0.134
   90   1HB   PRO  11          1HB       PRO  11   5.306 -14.507  -1.353
   91   2HB   PRO  11          2HB       PRO  11   4.155 -15.875  -1.333
   92   1HG   PRO  11          2HG       PRO  11   4.534 -13.816  -3.525
   93   2HG   PRO  11          1HG       PRO  11   4.493 -15.597  -3.697
   94   1HD   PRO  11          2HD       PRO  11   2.297 -14.114  -4.182
   95   2HD   PRO  11          1HD       PRO  11   2.135 -15.650  -3.287
   96    NH1  ARG  12           NH1      ARG  12   2.070  -8.383   4.524
   97    NH2  ARG  12           NH2      ARG  12   3.802  -7.364   5.581
   98    H    ARG  12           H        ARG  12   4.274 -12.994   1.064
   99    HA   ARG  12           HA       ARG  12   3.798 -10.226   0.444
  100   1HB   ARG  12          2HB       ARG  12   5.539 -11.461   2.606
  101   2HB   ARG  12          1HB       ARG  12   5.078  -9.751   2.423
  102   1HG   ARG  12          1HG       ARG  12   2.682 -10.361   2.621
  103   2HG   ARG  12          2HG       ARG  12   3.103 -12.064   2.783
  104   1HD   ARG  12          2HD       ARG  12   2.609 -11.081   4.976
  105   2HD   ARG  12          1HD       ARG  12   4.278 -11.641   4.875
  106    HE   ARG  12           HE       ARG  12   5.014  -9.521   5.240
  107   1HH1  ARG  12          2HH1      ARG  12   1.642  -9.149   4.028
  108   2HH1  ARG  12          1HH1      ARG  12   1.591  -7.484   4.643
  109   1HH2  ARG  12          2HH2      ARG  12   4.744  -7.326   5.947
  110   2HH2  ARG  12          1HH2      ARG  12   3.179  -6.553   5.601
  111    H    ALA  13           H        ALA  13   4.827  -9.231  -1.098
  112    HA   ALA  13           HA       ALA  13   7.757  -9.651  -1.551
  113   1HB   ALA  13          2HB       ALA  13   6.318 -10.376  -3.447
  114   2HB   ALA  13          1HB       ALA  13   5.643  -8.734  -3.545
  115   3HB   ALA  13          3HB       ALA  13   7.365  -9.004  -3.864
  116    H    THR  14           H        THR  14   9.036  -7.822  -1.816
  117    HA   THR  14           HA       THR  14   7.882  -5.168  -1.206
  118    HB   THR  14           HB       THR  14   9.982  -4.841   0.186
  119    HG1  THR  14           HG1      THR  14  11.101  -6.677  -0.744
  120   1HG2  THR  14          2HG2      THR  14   8.115  -7.037   1.162
  121   2HG2  THR  14          3HG2      THR  14   9.289  -6.167   2.165
  122   3HG2  THR  14          1HG2      THR  14   7.959  -5.277   1.418
  123    H    LYS  15           H        LYS  15   9.317  -3.399  -1.708
  124    HA   LYS  15           HA       LYS  15  11.465  -3.943  -3.659
  125   1HB   LYS  15          2HB       LYS  15  10.592  -2.467  -5.328
  126   2HB   LYS  15          1HB       LYS  15   9.356  -3.685  -4.990
  127   1HG   LYS  15          2HG       LYS  15   8.175  -2.014  -3.519
  128   2HG   LYS  15          1HG       LYS  15   9.401  -0.805  -3.953
  129   1HD   LYS  15          2HD       LYS  15   8.797  -1.197  -6.398
  130   2HD   LYS  15          1HD       LYS  15   7.437  -2.182  -5.816
  131   1HE   LYS  15          1HE       LYS  15   6.680  -0.166  -4.457
  132   2HE   LYS  15          2HE       LYS  15   7.958   0.775  -5.254
  133   1HZ   LYS  15          2HZ       LYS  15   6.917   0.263  -7.349
  134   2HZ   LYS  15          1HZ       LYS  15   5.732  -0.597  -6.588
  135   3HZ   LYS  15          3HZ       LYS  15   5.861   1.028  -6.341
  136    H    THR  16           H        THR  16  12.912  -2.208  -3.880
  137    HA   THR  16           HA       THR  16  13.030  -0.349  -1.589
  138    HB   THR  16           HB       THR  16  15.070  -1.011  -3.757
  139    HG1  THR  16           HG1      THR  16  15.900  -2.406  -2.176
  140   1HG2  THR  16          3HG2      THR  16  15.367   0.296  -1.005
  141   2HG2  THR  16          1HG2      THR  16  16.695  -0.125  -2.103
  142   3HG2  THR  16          2HG2      THR  16  15.531   1.124  -2.570
  143    H    CYS  17           H        CYS  17  11.509   1.268  -2.160
  144    HA   CYS  17           HA       CYS  17  11.661   2.478  -4.867
  145   1HB   CYS  17          1HB       CYS  17   9.487   2.021  -3.429
  146   2HB   CYS  17          2HB       CYS  17   9.982   3.593  -2.758
  147    H    VAL  18           H        VAL  18  11.512   4.940  -4.798
  148    HA   VAL  18           HA       VAL  18  13.856   6.002  -3.343
  149    HB   VAL  18           HB       VAL  18  13.569   6.050  -5.840
  150   1HG1  VAL  18          1HG1      VAL  18  11.204   6.744  -6.030
  151   2HG1  VAL  18          3HG1      VAL  18  11.670   8.366  -5.446
  152   3HG1  VAL  18          2HG1      VAL  18  12.327   7.742  -6.959
  153   1HG2  VAL  18          2HG2      VAL  18  15.215   7.457  -4.641
  154   2HG2  VAL  18          1HG2      VAL  18  14.577   8.299  -6.063
  155   3HG2  VAL  18          3HG2      VAL  18  13.991   8.729  -4.443
  156    H    GLU  19           H        GLU  19  10.484   6.755  -4.071
  157    HA   GLU  19           HA       GLU  19  10.209   9.153  -2.664
  158   1HB   GLU  19          2HB       GLU  19   8.084   6.969  -2.688
  159   2HB   GLU  19          1HB       GLU  19   7.789   8.679  -2.407
  160   1HG   GLU  19          1HG       GLU  19   8.736   7.408  -4.957
  161   2HG   GLU  19          2HG       GLU  19   7.151   8.112  -4.678
  162    H    ASN  20           H        ASN  20   9.592   9.758  -0.630
  163    HA   ASN  20           HA       ASN  20  10.459   8.094   1.566
  164   1HB   ASN  20          2HB       ASN  20  10.686  10.529   1.666
  165   2HB   ASN  20          1HB       ASN  20   8.949  10.735   1.396
  166   1HD2  ASN  20          2HD2      ASN  20  10.235   9.568   5.135
  167   2HD2  ASN  20          1HD2      ASN  20  11.253   9.206   3.743
  168    H    THR  21           H        THR  21   7.362   8.549  -0.132
  169    HA   THR  21           HA       THR  21   5.875   7.409   2.180
  170    HB   THR  21           HB       THR  21   3.948   8.369   0.822
  171    HG1  THR  21           HG1      THR  21   4.682  10.098  -0.605
  172   1HG2  THR  21          1HG2      THR  21   6.047  10.288   1.937
  173   2HG2  THR  21          3HG2      THR  21   4.365  10.723   1.569
  174   3HG2  THR  21          2HG2      THR  21   4.705   9.527   2.824
  175    H    CYS  22           H        CYS  22   4.341   5.756   1.778
  176    HA   CYS  22           HA       CYS  22   4.121   4.569  -0.888
  177   1HB   CYS  22          1HB       CYS  22   4.706   2.897   1.575
  178   2HB   CYS  22          2HB       CYS  22   4.596   2.336  -0.071
  179    OH   TYR  23           OH       TYR  23  -0.364   2.315  -5.964
  180    H    TYR  23           H        TYR  23   2.406   2.711  -0.575
  181    HA   TYR  23           HA       TYR  23   0.414   3.388   1.498
  182   1HB   TYR  23          1HB       TYR  23  -1.347   3.750  -0.125
  183   2HB   TYR  23          2HB       TYR  23  -0.038   4.874  -0.416
  184    HD1  TYR  23           HD1      TYR  23   1.437   4.581  -2.462
  185    HD2  TYR  23           HD2      TYR  23  -1.832   1.887  -1.685
  186    HE1  TYR  23           HE1      TYR  23   1.305   4.026  -4.876
  187    HE2  TYR  23           HE2      TYR  23  -1.892   1.262  -4.070
  188    HH   TYR  23           HH       TYR  23  -0.977   1.598  -6.174
  189    H    LYS  24           H        LYS  24  -1.402   2.100   1.385
  190    HA   LYS  24           HA       LYS  24  -1.222  -0.465  -0.032
  191   1HB   LYS  24          1HB       LYS  24  -2.199  -1.691   1.855
  192   2HB   LYS  24          2HB       LYS  24  -0.555  -1.122   2.207
  193   1HG   LYS  24          2HG       LYS  24  -1.271   0.461   3.760
  194   2HG   LYS  24          1HG       LYS  24  -2.917   0.533   3.125
  195   1HD   LYS  24          2HD       LYS  24  -2.996  -0.663   5.217
  196   2HD   LYS  24          1HD       LYS  24  -3.417  -1.730   3.888
  197   1HE   LYS  24          1HE       LYS  24  -1.960  -2.889   5.475
  198   2HE   LYS  24          2HE       LYS  24  -1.095  -2.702   3.951
  199   1HZ   LYS  24          3HZ       LYS  24  -0.799  -0.981   6.317
  200   2HZ   LYS  24          1HZ       LYS  24   0.213  -2.201   5.836
  201   3HZ   LYS  24          2HZ       LYS  24   0.049  -0.844   4.901
  202    H    MET  25           H        MET  25  -3.104  -0.899  -1.043
  203    HA   MET  25           HA       MET  25  -5.295   1.118  -0.737
  204   1HB   MET  25          2HB       MET  25  -4.120   0.977  -2.923
  205   2HB   MET  25          1HB       MET  25  -4.765  -0.673  -3.002
  206   1HG   MET  25          1HG       MET  25  -7.084   0.246  -2.800
  207   2HG   MET  25          2HG       MET  25  -6.411   1.871  -2.880
  208   1HE   MET  25          2HE       MET  25  -5.363   2.915  -5.062
  209   2HE   MET  25          1HE       MET  25  -4.161   1.604  -5.178
  210   3HE   MET  25          3HE       MET  25  -5.153   2.025  -6.587
  211    H    PHE  26           H        PHE  26  -7.233   0.426   0.009
  212    HA   PHE  26           HA       PHE  26  -8.013  -2.421  -0.235
  213   1HB   PHE  26          1HB       PHE  26  -8.913  -2.309   2.136
  214   2HB   PHE  26          2HB       PHE  26  -7.180  -2.437   1.939
  215    HD1  PHE  26           HD2      PHE  26  -9.582   0.541   2.065
  216    HD2  PHE  26           HD1      PHE  26  -6.182  -1.494   3.782
  217    HE1  PHE  26           HE2      PHE  26  -9.308   2.362   3.686
  218    HE2  PHE  26           HE1      PHE  26  -5.933   0.341   5.412
  219    HZ   PHE  26           HZ       PHE  26  -7.388   2.337   5.294
  220    H    ILE  27           H        ILE  27 -10.518  -2.348   0.751
  221    HA   ILE  27           HA       ILE  27 -11.798  -0.384  -1.075
  222    HB   ILE  27           HB       ILE  27 -12.940  -2.780   0.379
  223   1HG1  ILE  27          1HG1      ILE  27 -12.148  -2.386  -2.557
  224   2HG1  ILE  27          2HG1      ILE  27 -11.229  -3.320  -1.380
  225   1HG2  ILE  27          3HG2      ILE  27 -14.598  -0.927  -0.233
  226   2HG2  ILE  27          1HG2      ILE  27 -14.124  -1.167  -1.916
  227   3HG2  ILE  27          2HG2      ILE  27 -14.918  -2.462  -1.017
  228   1HD1  ILE  27          3HD1      ILE  27 -13.173  -4.840  -1.063
  229   2HD1  ILE  27          1HD1      ILE  27 -14.012  -3.986  -2.386
  230   3HD1  ILE  27          2HD1      ILE  27 -12.500  -4.846  -2.706
  231    NH1  ARG  28           NH1      ARG  28 -11.923   6.726  -1.277
  232    NH2  ARG  28           NH2      ARG  28 -12.270   8.585   0.034
  233    H    ARG  28           H        ARG  28 -13.144   1.205  -0.267
  234    HA   ARG  28           HA       ARG  28 -12.579   2.321   2.264
  235   1HB   ARG  28          2HB       ARG  28 -14.791   2.673   0.215
  236   2HB   ARG  28          1HB       ARG  28 -14.965   3.437   1.795
  237   1HG   ARG  28          1HG       ARG  28 -12.840   4.610   1.543
  238   2HG   ARG  28          2HG       ARG  28 -12.623   3.903  -0.074
  239   1HD   ARG  28          1HD       ARG  28 -14.240   5.266  -1.040
  240   2HD   ARG  28          2HD       ARG  28 -15.176   5.385   0.452
  241    HE   ARG  28           HE       ARG  28 -14.047   7.217   1.103
  242   1HH1  ARG  28          2HH1      ARG  28 -12.088   5.748  -1.492
  243   2HH1  ARG  28          1HH1      ARG  28 -11.141   7.181  -1.739
  244   1HH2  ARG  28          1HH2      ARG  28 -12.768   9.063   0.770
  245   2HH2  ARG  28          2HH2      ARG  28 -11.512   9.054  -0.442
  246    H    THR  29           H        THR  29 -15.077  -0.045   1.414
  247    HA   THR  29           HA       THR  29 -16.263   0.026   4.108
  248    HB   THR  29           HB       THR  29 -17.758  -1.705   2.996
  249    HG1  THR  29           HG1      THR  29 -17.027  -2.450   1.152
  250   1HG2  THR  29          2HG2      THR  29 -18.382   0.692   3.086
  251   2HG2  THR  29          1HG2      THR  29 -17.501   0.986   1.570
  252   3HG2  THR  29          3HG2      THR  29 -18.927  -0.070   1.579
  253    H    HIS  30           H        HIS  30 -13.626  -1.638   2.583
  254    HA   HIS  30           HA       HIS  30 -13.725  -3.779   4.635
  255   1HB   HIS  30          1HB       HIS  30 -13.143  -4.496   1.751
  256   2HB   HIS  30          2HB       HIS  30 -13.423  -5.553   3.126
  257    HD1  HIS  30           HD1      HIS  30 -16.087  -4.770   4.221
  258    HD2  HIS  30           HD2      HIS  30 -15.300  -4.428   0.124
  259    HE1  HIS  30           HE1      HIS  30 -18.319  -4.538   3.045
  260    NH1  ARG  31           NH2      ARG  31 -11.629   2.753   7.529
  261    NH2  ARG  31           NH1      ARG  31 -13.553   3.070   6.259
  262    H    ARG  31           H        ARG  31 -12.149  -2.525   5.619
  263    HA   ARG  31           HA       ARG  31  -9.710  -1.702   4.419
  264   1HB   ARG  31          1HB       ARG  31 -10.161  -2.417   7.347
  265   2HB   ARG  31          2HB       ARG  31  -9.004  -1.270   6.673
  266   1HG   ARG  31          2HG       ARG  31 -12.043  -0.939   6.749
  267   2HG   ARG  31          1HG       ARG  31 -10.874  -0.126   7.775
  268   1HD   ARG  31          2HD       ARG  31 -10.001   1.173   5.960
  269   2HD   ARG  31          1HD       ARG  31 -10.785   0.153   4.748
  270    HE   ARG  31           HE       ARG  31 -12.743   1.197   4.939
  271   1HH1  ARG  31          2HH2      ARG  31 -10.788   2.223   7.699
  272   2HH1  ARG  31          1HH2      ARG  31 -11.876   3.512   8.145
  273   1HH2  ARG  31          1HH1      ARG  31 -14.112   2.760   5.468
  274   2HH2  ARG  31          2HH1      ARG  31 -13.866   3.835   6.836
  275    H    GLU  32           H        GLU  32 -10.664  -4.625   6.161
  276    HA   GLU  32           HA       GLU  32  -8.033  -5.838   6.138
  277   1HB   GLU  32          1HB       GLU  32 -10.805  -6.945   6.790
  278   2HB   GLU  32          2HB       GLU  32  -9.259  -7.733   7.123
  279   1HG   GLU  32          2HG       GLU  32  -8.573  -5.822   8.553
  280   2HG   GLU  32          1HG       GLU  32 -10.148  -5.057   8.296
  281    OH   TYR  33           OH       TYR  33  -8.660  -8.526  -3.756
  282    H    TYR  33           H        TYR  33  -8.450  -5.165   3.580
  283    HA   TYR  33           HA       TYR  33  -8.184  -7.708   2.228
  284   1HB   TYR  33          1HB       TYR  33 -10.621  -7.502   2.067
  285   2HB   TYR  33          2HB       TYR  33 -10.472  -5.844   1.473
  286    HD1  TYR  33           HD1      TYR  33  -9.306  -9.342   0.666
  287    HD2  TYR  33           HD2      TYR  33 -10.357  -5.453  -0.860
  288    HE1  TYR  33           HE1      TYR  33  -8.612 -10.042  -1.612
  289    HE2  TYR  33           HE2      TYR  33  -9.702  -6.164  -3.134
  290    HH   TYR  33           HH       TYR  33  -8.760  -7.838  -4.417
  291    H    ILE  34           H        ILE  34  -6.159  -7.142   1.514
  292    HA   ILE  34           HA       ILE  34  -5.619  -4.399   0.670
  293    HB   ILE  34           HB       ILE  34  -3.808  -6.831   0.416
  294   1HG1  ILE  34          1HG1      ILE  34  -4.401  -6.662   2.765
  295   2HG1  ILE  34          2HG1      ILE  34  -2.760  -6.088   2.506
  296   1HG2  ILE  34          2HG2      ILE  34  -3.430  -3.801   0.315
  297   2HG2  ILE  34          3HG2      ILE  34  -2.099  -4.930   0.546
  298   3HG2  ILE  34          1HG2      ILE  34  -3.053  -4.994  -0.941
  299   1HD1  ILE  34          2HD1      ILE  34  -3.570  -3.731   2.616
  300   2HD1  ILE  34          1HD1      ILE  34  -5.215  -4.326   2.948
  301   3HD1  ILE  34          3HD1      ILE  34  -3.904  -4.648   4.091
  302    H    SER  35           H        SER  35  -6.401  -3.749  -1.146
  303    HA   SER  35           HA       SER  35  -7.115  -5.448  -3.421
  304   1HB   SER  35          2HB       SER  35  -7.224  -2.436  -2.890
  305   2HB   SER  35          1HB       SER  35  -7.857  -3.246  -4.309
  306    HG   SER  35           HG       SER  35  -8.593  -4.070  -1.687
  307    H    GLU  36           H        GLU  36  -4.758  -2.931  -2.537
  308    HA   GLU  36           HA       GLU  36  -2.896  -3.830  -4.616
  309   1HB   GLU  36          1HB       GLU  36  -4.631  -1.863  -5.443
  310   2HB   GLU  36          2HB       GLU  36  -3.386  -0.879  -4.673
  311   1HG   GLU  36          2HG       GLU  36  -1.695  -2.178  -6.178
  312   2HG   GLU  36          1HG       GLU  36  -3.128  -2.746  -7.037
  313    NH1  ARG  37           NH2      ARG  37   0.114  -6.109   0.512
  314    NH2  ARG  37           NH1      ARG  37   0.420  -5.988   2.788
  315    H    ARG  37           H        ARG  37  -0.905  -2.122  -4.439
  316    HA   ARG  37           HA       ARG  37  -0.517  -0.778  -1.952
  317   1HB   ARG  37          1HB       ARG  37   0.900  -3.411  -2.545
  318   2HB   ARG  37          2HB       ARG  37   1.787  -2.063  -1.828
  319   1HG   ARG  37          1HG       ARG  37   0.263  -1.979   0.082
  320   2HG   ARG  37          2HG       ARG  37  -0.514  -3.456  -0.521
  321   1HD   ARG  37          2HD       ARG  37   1.881  -4.458  -0.532
  322   2HD   ARG  37          1HD       ARG  37   2.349  -2.974   0.305
  323    HE   ARG  37           HE       ARG  37   1.489  -3.760   2.263
  324   1HH1  ARG  37          2HH2      ARG  37   0.161  -5.704  -0.417
  325   2HH1  ARG  37          1HH2      ARG  37  -0.178  -7.070   0.617
  326   1HH2  ARG  37          1HH1      ARG  37   0.844  -5.575   3.624
  327   2HH2  ARG  37          2HH1      ARG  37  -0.024  -6.886   2.891
  328    H    GLY  38           H        GLY  38   1.548   0.444  -2.111
  329   1HA   GLY  38          1HA       GLY  38   3.217   0.155  -4.383
  330   2HA   GLY  38          2HA       GLY  38   1.993   1.336  -4.837
  331    H    CYS  39           H        CYS  39   4.040   2.537  -5.071
  332    HA   CYS  39           HA       CYS  39   5.224   3.660  -2.580
  333   1HB   CYS  39          2HB       CYS  39   6.801   2.494  -3.936
  334   2HB   CYS  39          1HB       CYS  39   6.229   3.287  -5.414
  335    H    GLY  40           H        GLY  40   5.548   5.963  -2.515
  336   1HA   GLY  40          1HA       GLY  40   4.993   8.121  -2.736
  337   2HA   GLY  40          2HA       GLY  40   4.854   7.878  -4.440
  338    H    CYS  41           H        CYS  41   3.364   7.504  -1.661
  339    HA   CYS  41           HA       CYS  41   0.764   6.733  -1.682
  340   1HB   CYS  41          2HB       CYS  41   1.568   7.539   0.348
  341   2HB   CYS  41          1HB       CYS  41   1.906   9.146  -0.285
  342    HA   PRO  42           HA       PRO  42  -1.347   9.745  -4.387
  343   1HB   PRO  42          2HB       PRO  42  -2.573   8.092  -6.111
  344   2HB   PRO  42          1HB       PRO  42  -0.808   8.321  -6.163
  345   1HG   PRO  42          1HG       PRO  42  -2.393   6.057  -4.894
  346   2HG   PRO  42          2HG       PRO  42  -0.924   5.924  -5.899
  347   1HD   PRO  42          1HD       PRO  42  -1.019   5.974  -3.070
  348   2HD   PRO  42          2HD       PRO  42   0.433   6.320  -4.070
  349    H    THR  43           H        THR  43  -3.650  10.040  -4.837
  350    HA   THR  43           HA       THR  43  -5.343   9.334  -2.579
  351    HB   THR  43           HB       THR  43  -6.287  10.673  -5.125
  352    HG1  THR  43           HG1      THR  43  -5.392  12.624  -4.281
  353   1HG2  THR  43          1HG2      THR  43  -6.819  11.207  -2.160
  354   2HG2  THR  43          2HG2      THR  43  -7.551  12.089  -3.515
  355   3HG2  THR  43          3HG2      THR  43  -7.925  10.378  -3.279
  356    H    ALA  44           H        ALA  44  -7.466   8.240  -2.862
  357    HA   ALA  44           HA       ALA  44  -7.886   6.680  -5.325
  358   1HB   ALA  44          3HB       ALA  44  -7.625   5.447  -2.556
  359   2HB   ALA  44          2HB       ALA  44  -8.233   4.605  -3.998
  360   3HB   ALA  44          1HB       ALA  44  -6.549   5.168  -3.944
  361    H    MET  45           H        MET  45 -10.079   6.370  -5.698
  362    HA   MET  45           HA       MET  45 -11.962   7.706  -3.837
  363   1HB   MET  45          1HB       MET  45 -11.958   7.279  -6.858
  364   2HB   MET  45          2HB       MET  45 -13.258   8.020  -5.929
  365   1HG   MET  45          1HG       MET  45 -10.420   9.082  -6.214
  366   2HG   MET  45          2HG       MET  45 -11.860   9.739  -6.979
  367   1HE   MET  45          3HE       MET  45 -13.699  11.087  -5.810
  368   2HE   MET  45          1HE       MET  45 -14.032   9.827  -4.593
  369   3HE   MET  45          2HE       MET  45 -13.720  11.498  -4.080
  370    CH2  TRP  46           CH2      TRP  46 -21.009   3.122  -4.143
  371    H    TRP  46           H        TRP  46 -14.097   6.830  -3.823
  372    HA   TRP  46           HA       TRP  46 -14.349   4.192  -3.111
  373   1HB   TRP  46          2HB       TRP  46 -16.029   6.184  -2.862
  374   2HB   TRP  46          1HB       TRP  46 -16.464   5.723  -4.469
  375    HD1  TRP  46           HD1      TRP  46 -16.044   3.648  -1.411
  376    HE1  TRP  46           HE1      TRP  46 -18.152   2.061  -1.141
  377    HE3  TRP  46           HE3      TRP  46 -18.734   5.489  -5.157
  378    HZ2  TRP  46           HZ2      TRP  46 -20.698   1.777  -2.477
  379    HZ3  TRP  46           HZ3      TRP  46 -21.034   4.603  -5.715
  380    HH2  TRP  46           HH2      TRP  46 -21.996   2.745  -4.373
  381    HA   PRO  47           HA       PRO  47 -15.542   2.097  -3.352
  382   1HB   PRO  47          1HB       PRO  47 -14.778  -0.397  -3.932
  383   2HB   PRO  47          2HB       PRO  47 -16.189   0.364  -4.707
  384   1HG   PRO  47          2HG       PRO  47 -13.369   0.209  -5.824
  385   2HG   PRO  47          1HG       PRO  47 -14.883  -0.317  -6.621
  386   1HD   PRO  47          2HD       PRO  47 -13.834   2.163  -7.068
  387   2HD   PRO  47          1HD       PRO  47 -15.600   1.938  -6.927
  388    OH   TYR  48           OH       TYR  48 -10.881  -2.710  -7.226
  389    H    TYR  48           H        TYR  48 -12.345   2.802  -4.556
  390    HA   TYR  48           HA       TYR  48 -11.025   1.134  -2.491
  391   1HB   TYR  48          1HB       TYR  48  -9.944   2.838  -4.759
  392   2HB   TYR  48          2HB       TYR  48  -8.949   1.948  -3.604
  393    HD1  TYR  48           HD2      TYR  48  -9.683  -0.666  -3.344
  394    HD2  TYR  48           HD1      TYR  48 -10.477   1.794  -6.801
  395    HE1  TYR  48           HE2      TYR  48 -10.227  -2.683  -4.657
  396    HE2  TYR  48           HE1      TYR  48 -10.920  -0.246  -8.139
  397    HH   TYR  48           HH       TYR  48 -10.818  -3.523  -6.720
  398    H    GLN  49           H        GLN  49  -9.323   1.996  -1.223
  399    HA   GLN  49           HA       GLN  49  -9.165   4.883  -0.837
  400   1HB   GLN  49          2HB       GLN  49 -10.739   3.420   0.967
  401   2HB   GLN  49          1HB       GLN  49  -9.133   3.357   1.687
  402   1HG   GLN  49          1HG       GLN  49 -10.611   5.891   0.946
  403   2HG   GLN  49          2HG       GLN  49 -10.340   5.275   2.581
  404   1HE2  GLN  49          1HE2      GLN  49  -6.832   6.176   2.563
  405   2HE2  GLN  49          2HE2      GLN  49  -8.059   5.219   3.395
  406    H    THR  50           H        THR  50  -7.045   5.391  -0.359
  407    HA   THR  50           HA       THR  50  -5.047   3.206  -0.053
  408    HB   THR  50           HB       THR  50  -3.539   5.342  -0.550
  409    HG1  THR  50           HG1      THR  50  -4.536   6.776  -1.897
  410   1HG2  THR  50          1HG2      THR  50  -3.651   3.257  -1.858
  411   2HG2  THR  50          2HG2      THR  50  -5.090   3.852  -2.697
  412   3HG2  THR  50          3HG2      THR  50  -3.525   4.682  -2.908
  413    H    GLU  51           H        GLU  51  -4.196   2.919   1.918
  414    HA   GLU  51           HA       GLU  51  -4.319   5.219   3.875
  415   1HB   GLU  51          2HB       GLU  51  -4.960   3.760   5.400
  416   2HB   GLU  51          1HB       GLU  51  -4.835   2.416   4.262
  417   1HG   GLU  51          1HG       GLU  51  -2.446   2.112   4.809
  418   2HG   GLU  51          2HG       GLU  51  -2.535   3.497   5.908
  419    H    CYS  52           H        CYS  52  -2.353   6.206   4.146
  420    HA   CYS  52           HA       CYS  52  -0.056   5.102   2.627
  421   1HB   CYS  52          2HB       CYS  52  -0.987   7.896   3.281
  422   2HB   CYS  52          1HB       CYS  52   0.568   7.506   2.547
  423    H    CYS  53           H        CYS  53   2.077   5.658   3.384
  424    HA   CYS  53           HA       CYS  53   2.470   6.569   6.107
  425   1HB   CYS  53          2HB       CYS  53   3.479   4.517   6.977
  426   2HB   CYS  53          1HB       CYS  53   1.770   4.263   6.588
  427    H    LYS  54           H        LYS  54   4.862   6.579   6.624
  428    HA   LYS  54           HA       LYS  54   6.622   6.408   4.260
  429   1HB   LYS  54          1HB       LYS  54   7.611   8.536   5.360
  430   2HB   LYS  54          2HB       LYS  54   6.273   8.690   4.223
  431   1HG   LYS  54          2HG       LYS  54   4.692   8.993   6.076
  432   2HG   LYS  54          1HG       LYS  54   5.995   8.719   7.262
  433   1HD   LYS  54          1HD       LYS  54   7.215  10.688   6.347
  434   2HD   LYS  54          2HD       LYS  54   5.897  10.987   5.212
  435   1HE   LYS  54          1HE       LYS  54   5.674  11.024   8.267
  436   2HE   LYS  54          2HE       LYS  54   5.785  12.449   7.221
  437   1HZ   LYS  54          3HZ       LYS  54   3.732  11.783   6.191
  438   2HZ   LYS  54          2HZ       LYS  54   3.609  10.480   7.194
  439   3HZ   LYS  54          1HZ       LYS  54   3.541  12.004   7.813
  440    H    GLY  55           H        GLY  55   7.600   4.532   5.048
  441   1HA   GLY  55          2HA       GLY  55   9.769   4.910   6.799
  442   2HA   GLY  55          1HA       GLY  55   8.494   4.082   7.704
  443    H    ASP  56           H        ASP  56  11.011   2.947   6.972
  444    HA   ASP  56           HA       ASP  56  10.786   1.281   4.660
  445   1HB   ASP  56          2HB       ASP  56  12.506   1.137   7.165
  446   2HB   ASP  56          1HB       ASP  56  12.635   0.006   5.813
  447    NH1  ARG  57           NH2      ARG  57  11.469  -7.358   6.809
  448    NH2  ARG  57           NH1      ARG  57   9.353  -7.985   6.106
  449    H    ARG  57           H        ARG  57   9.773  -0.665   4.383
  450    HA   ARG  57           HA       ARG  57   8.081  -2.041   4.569
  451   1HB   ARG  57          1HB       ARG  57   9.347  -2.638   7.284
  452   2HB   ARG  57          2HB       ARG  57   8.410  -3.658   6.180
  453   1HG   ARG  57          2HG       ARG  57  10.148  -3.534   4.466
  454   2HG   ARG  57          1HG       ARG  57  11.168  -2.587   5.571
  455   1HD   ARG  57          2HD       ARG  57  11.880  -4.880   5.614
  456   2HD   ARG  57          1HD       ARG  57  11.136  -4.489   7.181
  457    HE   ARG  57           HE       ARG  57   9.115  -5.566   5.524
  458   1HH1  ARG  57          2HH2      ARG  57  12.159  -6.636   6.950
  459   2HH1  ARG  57          1HH2      ARG  57  11.686  -8.309   7.067
  460   1HH2  ARG  57          2HH1      ARG  57   8.431  -7.729   5.768
  461   2HH2  ARG  57          1HH1      ARG  57   9.541  -8.948   6.339
  462    H    CYS  58           H        CYS  58   7.383   0.738   5.614
  463    HA   CYS  58           HA       CYS  58   5.769   0.366   7.920
  464   1HB   CYS  58          2HB       CYS  58   4.941   2.522   7.502
  465   2HB   CYS  58          1HB       CYS  58   6.655   2.523   7.139
  466    H    ASN  59           H        ASN  59   4.946   0.156   4.414
  467    HA   ASN  59           HA       ASN  59   2.076  -0.074   4.997
  468   1HB   ASN  59          2HB       ASN  59   1.804  -0.185   2.610
  469   2HB   ASN  59          1HB       ASN  59   2.893   1.151   2.992
  470   1HD2  ASN  59          2HD2      ASN  59   4.014  -1.147   0.071
  471   2HD2  ASN  59          1HD2      ASN  59   2.767   0.007   0.427
  472    H    LYS  60           H        LYS  60   3.179  -1.945   6.448
  473    HA   LYS  60           HA       LYS  60   3.707  -4.486   5.290
  474   1HB   LYS  60          1HB       LYS  60   3.462  -5.309   7.592
  475   2HB   LYS  60          2HB       LYS  60   4.456  -3.846   7.523
  476   1HG   LYS  60          1HG       LYS  60   2.481  -2.491   8.264
  477   2HG   LYS  60          2HG       LYS  60   1.518  -3.975   8.329
  478   1HD   LYS  60          2HD       LYS  60   3.003  -4.894  10.069
  479   2HD   LYS  60          1HD       LYS  60   4.079  -3.493   9.921
  480   1HE   LYS  60          1HE       LYS  60   2.631  -3.258  11.893
  481   2HE   LYS  60          2HE       LYS  60   2.295  -1.984  10.708
  482   1HZ   LYS  60          1HZ       LYS  60   0.720  -4.442  11.059
  483   2HZ   LYS  60          3HZ       LYS  60   0.302  -2.945  11.608
  484   3HZ   LYS  60          2HZ       LYS  60   0.394  -3.232   9.989
   
  Start of MODEL          14
 Raw file had  484 H/Q atoms
  Start of MODEL   14
    1    NH1  ARG   1           NH2      ARG   1  13.159   4.131   3.710
    2    NH2  ARG   1           NH1      ARG   1  12.470   6.251   4.281
    3   1H    ARG   1          3H        ARG   1  13.159   3.663  -1.849
    4   2H    ARG   1          2H        ARG   1  13.939   4.626  -0.754
    5   3H    ARG   1          1H        ARG   1  14.394   3.038  -0.965
    6    HA   ARG   1           HA       ARG   1  13.104   3.173   1.018
    7   1HB   ARG   1          1HB       ARG   1  11.896   5.231   0.508
    8   2HB   ARG   1          2HB       ARG   1  11.144   4.479  -0.902
    9   1HG   ARG   1          2HG       ARG   1   9.518   4.698   0.852
   10   2HG   ARG   1          1HG       ARG   1   9.810   2.998   0.522
   11   1HD   ARG   1          1HD       ARG   1   9.616   3.386   2.882
   12   2HD   ARG   1          2HD       ARG   1  11.241   2.853   2.535
   13    HE   ARG   1           HE       ARG   1  10.379   5.673   3.080
   14   1HH1  ARG   1          2HH2      ARG   1  13.003   3.222   3.291
   15   2HH1  ARG   1          1HH2      ARG   1  14.026   4.276   4.207
   16   1HH2  ARG   1          1HH1      ARG   1  11.775   6.993   4.277
   17   2HH2  ARG   1          2HH1      ARG   1  13.344   6.419   4.754
   18    H    ILE   2           H        ILE   2  12.014   1.184   1.530
   19    HA   ILE   2           HA       ILE   2  11.206  -0.532  -0.801
   20    HB   ILE   2           HB       ILE   2  11.749  -1.268   2.110
   21   1HG1  ILE   2          1HG1      ILE   2  13.859  -0.600   1.113
   22   2HG1  ILE   2          2HG1      ILE   2  13.804  -2.349   1.306
   23   1HG2  ILE   2          2HG2      ILE   2  11.136  -2.943  -0.359
   24   2HG2  ILE   2          3HG2      ILE   2  11.783  -3.608   1.156
   25   3HG2  ILE   2          1HG2      ILE   2  10.200  -2.830   1.138
   26   1HD1  ILE   2          2HD1      ILE   2  13.212  -2.580  -1.116
   27   2HD1  ILE   2          3HD1      ILE   2  13.360  -0.813  -1.289
   28   3HD1  ILE   2          1HD1      ILE   2  14.772  -1.783  -0.840
   29    H    CYS   3           H        CYS   3   9.035  -1.167  -0.958
   30    HA   CYS   3           HA       CYS   3   7.221  -0.476   1.321
   31   1HB   CYS   3          2HB       CYS   3   6.804   0.137  -1.622
   32   2HB   CYS   3          1HB       CYS   3   5.572   0.293  -0.363
   33    OH   TYR   4           OH       TYR   4   6.764  -7.098   5.857
   34    H    TYR   4           H        TYR   4   5.305  -1.906   1.333
   35    HA   TYR   4           HA       TYR   4   5.976  -4.549   0.303
   36   1HB   TYR   4          2HB       TYR   4   3.755  -3.403   1.979
   37   2HB   TYR   4          1HB       TYR   4   3.563  -4.969   1.206
   38    HD1  TYR   4           HD2      TYR   4   5.538  -6.684   1.506
   39    HD2  TYR   4           HD1      TYR   4   4.787  -3.369   4.148
   40    HE1  TYR   4           HE2      TYR   4   6.556  -7.938   3.364
   41    HE2  TYR   4           HE1      TYR   4   5.772  -4.637   6.013
   42    HH   TYR   4           HH       TYR   4   6.591  -6.666   6.699
   43    H    SER   5           H        SER   5   4.704  -5.706  -1.284
   44    HA   SER   5           HA       SER   5   3.298  -3.899  -3.226
   45   1HB   SER   5          1HB       SER   5   4.285  -5.348  -4.954
   46   2HB   SER   5          2HB       SER   5   5.504  -4.588  -3.935
   47    HG   SER   5           HG       SER   5   6.137  -6.647  -4.046
   48    H    HIS   6           H        HIS   6   3.618  -7.318  -2.317
   49    HA   HIS   6           HA       HIS   6   1.506  -8.449  -3.526
   50   1HB   HIS   6          1HB       HIS   6   1.439 -10.142  -1.848
   51   2HB   HIS   6          2HB       HIS   6   3.106  -9.622  -2.025
   52    HD1  HIS   6           HD1      HIS   6   3.714  -7.592  -0.027
   53    HD2  HIS   6           HD2      HIS   6   0.726 -10.453   0.712
   54    HE1  HIS   6           HE1      HIS   6   3.304  -7.661   2.491
   55    H    LYS   7           H        LYS   7  -0.630  -8.201  -3.677
   56    HA   LYS   7           HA       LYS   7  -2.087  -6.348  -1.991
   57   1HB   LYS   7          1HB       LYS   7  -3.952  -6.910  -3.481
   58   2HB   LYS   7          2HB       LYS   7  -2.506  -6.355  -4.327
   59   1HG   LYS   7          1HG       LYS   7  -1.962  -8.638  -5.039
   60   2HG   LYS   7          2HG       LYS   7  -3.328  -9.295  -4.130
   61   1HD   LYS   7          2HD       LYS   7  -3.544  -7.280  -6.414
   62   2HD   LYS   7          1HD       LYS   7  -3.696  -9.038  -6.590
   63   1HE   LYS   7          2HE       LYS   7  -5.629  -9.002  -4.982
   64   2HE   LYS   7          1HE       LYS   7  -5.546  -7.228  -4.970
   65   1HZ   LYS   7          3HZ       LYS   7  -6.020  -8.886  -7.333
   66   2HZ   LYS   7          1HZ       LYS   7  -7.147  -8.010  -6.509
   67   3HZ   LYS   7          2HZ       LYS   7  -5.930  -7.238  -7.308
   68    H    ALA   8           H        ALA   8  -1.292  -8.036  -0.208
   69    HA   ALA   8           HA       ALA   8  -1.746  -9.689   1.343
   70   1HB   ALA   8          2HB       ALA   8  -2.813  -7.615   2.105
   71   2HB   ALA   8          3HB       ALA   8  -4.317  -8.050   1.258
   72   3HB   ALA   8          1HB       ALA   8  -3.751  -9.016   2.639
   73    H    SER   9           H        SER   9  -2.192 -10.891  -1.163
   74    HA   SER   9           HA       SER   9  -3.795 -13.154  -0.280
   75   1HB   SER   9          1HB       SER   9  -5.255 -13.087  -2.385
   76   2HB   SER   9          2HB       SER   9  -5.645 -11.875  -1.157
   77    HG   SER   9           HG       SER   9  -4.450 -10.355  -2.340
   78    H    LEU  10           H        LEU  10  -1.076 -12.584  -0.865
   79    HA   LEU  10           HA       LEU  10  -0.392 -14.666  -2.730
   80   1HB   LEU  10          2HB       LEU  10   0.468 -11.763  -3.150
   81   2HB   LEU  10          1HB       LEU  10   1.256 -13.121  -3.940
   82    HG   LEU  10           HG       LEU  10  -1.652 -12.316  -4.377
   83   1HD1  LEU  10          3HD1      LEU  10  -0.067 -10.630  -5.203
   84   2HD1  LEU  10          1HD1      LEU  10   0.817 -11.884  -6.098
   85   3HD1  LEU  10          2HD1      LEU  10  -0.857 -11.484  -6.540
   86   1HD2  LEU  10          2HD2      LEU  10   0.140 -14.335  -5.819
   87   2HD2  LEU  10          3HD2      LEU  10  -1.272 -14.737  -4.821
   88   3HD2  LEU  10          1HD2      LEU  10  -1.489 -13.848  -6.330
   89    HA   PRO  11           HA       PRO  11   2.772 -14.976   0.373
   90   1HB   PRO  11          1HB       PRO  11   4.895 -14.822  -1.769
   91   2HB   PRO  11          2HB       PRO  11   4.760 -15.998  -0.430
   92   1HG   PRO  11          1HG       PRO  11   4.004 -16.738  -2.927
   93   2HG   PRO  11          2HG       PRO  11   2.955 -17.146  -1.536
   94   1HD   PRO  11          1HD       PRO  11   2.666 -14.843  -3.475
   95   2HD   PRO  11          2HD       PRO  11   1.418 -15.987  -2.895
   96    NH1  ARG  12           NH1      ARG  12   8.142 -11.989   5.973
   97    NH2  ARG  12           NH2      ARG  12   7.533  -9.797   6.405
   98    H    ARG  12           H        ARG  12   4.413 -13.674   1.520
   99    HA   ARG  12           HA       ARG  12   3.951 -10.898   1.159
  100   1HB   ARG  12          1HB       ARG  12   5.415 -10.524   2.973
  101   2HB   ARG  12          2HB       ARG  12   4.429 -11.935   3.304
  102   1HG   ARG  12          2HG       ARG  12   6.337 -12.900   3.980
  103   2HG   ARG  12          1HG       ARG  12   6.654 -13.174   2.269
  104   1HD   ARG  12          1HD       ARG  12   8.637 -12.181   3.317
  105   2HD   ARG  12          2HD       ARG  12   7.944 -11.014   2.207
  106    HE   ARG  12           HE       ARG  12   7.369  -9.616   3.933
  107   1HH1  ARG  12          1HH1      ARG  12   8.300 -12.731   5.308
  108   2HH1  ARG  12          2HH1      ARG  12   8.243 -12.177   6.959
  109   1HH2  ARG  12          2HH2      ARG  12   7.207  -8.892   6.079
  110   2HH2  ARG  12          1HH2      ARG  12   7.629  -9.953   7.397
  111    H    ALA  13           H        ALA  13   4.724  -9.579  -0.331
  112    HA   ALA  13           HA       ALA  13   7.511  -9.828  -1.296
  113   1HB   ALA  13          1HB       ALA  13   6.023 -10.996  -2.935
  114   2HB   ALA  13          3HB       ALA  13   5.087  -9.496  -3.122
  115   3HB   ALA  13          2HB       ALA  13   6.789  -9.542  -3.607
  116    H    THR  14           H        THR  14   8.303  -7.880  -2.183
  117    HA   THR  14           HA       THR  14   6.964  -5.395  -1.287
  118    HB   THR  14           HB       THR  14   9.391  -4.627  -0.878
  119    HG1  THR  14           HG1      THR  14   9.895  -7.408  -0.762
  120   1HG2  THR  14          2HG2      THR  14   8.302  -6.875   0.882
  121   2HG2  THR  14          3HG2      THR  14   9.619  -5.764   1.311
  122   3HG2  THR  14          1HG2      THR  14   7.995  -5.132   1.054
  123    H    LYS  15           H        LYS  15   8.159  -3.493  -2.298
  124    HA   LYS  15           HA       LYS  15   9.109  -3.869  -5.046
  125   1HB   LYS  15          1HB       LYS  15   7.572  -2.082  -5.856
  126   2HB   LYS  15          2HB       LYS  15   6.755  -3.585  -5.451
  127   1HG   LYS  15          1HG       LYS  15   6.217  -2.489  -3.153
  128   2HG   LYS  15          2HG       LYS  15   6.794  -0.979  -3.849
  129   1HD   LYS  15          2HD       LYS  15   4.559  -2.685  -5.059
  130   2HD   LYS  15          1HD       LYS  15   4.285  -1.395  -3.888
  131   1HE   LYS  15          1HE       LYS  15   5.277   0.252  -5.454
  132   2HE   LYS  15          2HE       LYS  15   5.590  -1.036  -6.629
  133   1HZ   LYS  15          1HZ       LYS  15   2.910  -0.334  -5.632
  134   2HZ   LYS  15          2HZ       LYS  15   3.556   0.170  -7.066
  135   3HZ   LYS  15          3HZ       LYS  15   3.278  -1.430  -6.799
  136    H    THR  16           H        THR  16  10.456  -2.094  -5.691
  137    HA   THR  16           HA       THR  16  11.607  -0.556  -3.504
  138    HB   THR  16           HB       THR  16  12.996   0.187  -5.633
  139    HG1  THR  16           HG1      THR  16  12.831  -1.381  -7.287
  140   1HG2  THR  16          3HG2      THR  16  13.023  -2.694  -4.613
  141   2HG2  THR  16          1HG2      THR  16  14.354  -1.889  -5.471
  142   3HG2  THR  16          2HG2      THR  16  13.862  -1.317  -3.867
  143    H    CYS  17           H        CYS  17  11.497   1.693  -3.338
  144    HA   CYS  17           HA       CYS  17   9.765   3.194  -5.232
  145   1HB   CYS  17          1HB       CYS  17   9.457   2.913  -2.216
  146   2HB   CYS  17          2HB       CYS  17   8.775   4.264  -3.137
  147    H    VAL  18           H        VAL  18  10.182   5.378  -5.310
  148    HA   VAL  18           HA       VAL  18  12.860   6.195  -4.462
  149    HB   VAL  18           HB       VAL  18  12.347   8.166  -5.831
  150   1HG1  VAL  18          3HG1      VAL  18  13.434   6.148  -6.768
  151   2HG1  VAL  18          2HG1      VAL  18  11.844   5.520  -7.255
  152   3HG1  VAL  18          1HG1      VAL  18  12.478   7.008  -7.985
  153   1HG2  VAL  18          3HG2      VAL  18   9.695   6.839  -6.540
  154   2HG2  VAL  18          1HG2      VAL  18   9.925   8.415  -5.743
  155   3HG2  VAL  18          2HG2      VAL  18  10.450   8.181  -7.402
  156    H    GLU  19           H        GLU  19   9.480   7.327  -3.970
  157    HA   GLU  19           HA       GLU  19  10.203   9.464  -2.264
  158   1HB   GLU  19          1HB       GLU  19   7.642   7.965  -2.862
  159   2HB   GLU  19          2HB       GLU  19   7.657   8.875  -1.382
  160   1HG   GLU  19          1HG       GLU  19   8.446  10.133  -4.020
  161   2HG   GLU  19          2HG       GLU  19   6.822  10.206  -3.324
  162    H    ASN  20           H        ASN  20   9.734   9.771  -0.070
  163    HA   ASN  20           HA       ASN  20  10.947   7.774   1.654
  164   1HB   ASN  20          1HB       ASN  20  11.283  10.128   2.122
  165   2HB   ASN  20          2HB       ASN  20   9.539  10.434   2.129
  166   1HD2  ASN  20          1HD2      ASN  20   9.294   9.837   5.587
  167   2HD2  ASN  20          2HD2      ASN  20   8.667  10.651   4.166
  168    H    THR  21           H        THR  21   7.632   8.536   0.663
  169    HA   THR  21           HA       THR  21   6.531   7.017   2.942
  170    HB   THR  21           HB       THR  21   4.394   8.114   1.950
  171    HG1  THR  21           HG1      THR  21   4.989  10.098   0.846
  172   1HG2  THR  21          2HG2      THR  21   6.590   9.811   3.222
  173   2HG2  THR  21          1HG2      THR  21   4.865  10.235   3.162
  174   3HG2  THR  21          3HG2      THR  21   5.391   8.814   4.077
  175    H    CYS  22           H        CYS  22   5.005   5.463   2.652
  176    HA   CYS  22           HA       CYS  22   4.745   4.225  -0.042
  177   1HB   CYS  22          1HB       CYS  22   4.489   2.688   2.567
  178   2HB   CYS  22          2HB       CYS  22   4.526   2.086   0.928
  179    OH   TYR  23           OH       TYR  23  -0.415   2.979  -5.632
  180    H    TYR  23           H        TYR  23   2.630   3.010  -0.095
  181    HA   TYR  23           HA       TYR  23   0.611   3.948   1.872
  182   1HB   TYR  23          1HB       TYR  23  -1.015   4.429   0.199
  183   2HB   TYR  23          2HB       TYR  23   0.435   5.361  -0.069
  184    HD1  TYR  23           HD1      TYR  23  -1.612   2.479  -1.276
  185    HD2  TYR  23           HD2      TYR  23   1.702   5.070  -2.201
  186    HE1  TYR  23           HE1      TYR  23  -1.832   1.899  -3.661
  187    HE2  TYR  23           HE2      TYR  23   1.374   4.598  -4.618
  188    HH   TYR  23           HH       TYR  23  -1.179   2.427  -5.842
  189    H    LYS  24           H        LYS  24  -1.235   2.755   1.784
  190    HA   LYS  24           HA       LYS  24  -1.232   0.242   0.276
  191   1HB   LYS  24          2HB       LYS  24  -2.127  -1.003   2.301
  192   2HB   LYS  24          1HB       LYS  24  -0.398  -0.627   2.314
  193   1HG   LYS  24          2HG       LYS  24  -0.782   1.257   3.846
  194   2HG   LYS  24          1HG       LYS  24  -2.530   0.917   3.801
  195   1HD   LYS  24          2HD       LYS  24  -2.268  -1.199   4.868
  196   2HD   LYS  24          1HD       LYS  24  -0.515  -1.203   4.643
  197   1HE   LYS  24          2HE       LYS  24  -0.242   0.636   6.226
  198   2HE   LYS  24          1HE       LYS  24  -2.001   0.776   6.429
  199   1HZ   LYS  24          3HZ       LYS  24  -0.476  -1.654   7.034
  200   2HZ   LYS  24          1HZ       LYS  24  -0.889  -0.512   8.161
  201   3HZ   LYS  24          2HZ       LYS  24  -2.055  -1.365   7.364
  202    H    MET  25           H        MET  25  -3.009  -0.043  -0.719
  203    HA   MET  25           HA       MET  25  -5.254   1.848  -0.334
  204   1HB   MET  25          1HB       MET  25  -4.009   1.944  -2.428
  205   2HB   MET  25          2HB       MET  25  -4.396   0.240  -2.644
  206   1HG   MET  25          1HG       MET  25  -6.825   0.797  -2.663
  207   2HG   MET  25          2HG       MET  25  -6.412   2.509  -2.534
  208   1HE   MET  25          1HE       MET  25  -4.070   2.989  -4.538
  209   2HE   MET  25          2HE       MET  25  -4.933   3.253  -6.067
  210   3HE   MET  25          3HE       MET  25  -5.568   3.958  -4.564
  211    H    PHE  26           H        PHE  26  -7.000   1.032   0.636
  212    HA   PHE  26           HA       PHE  26  -7.707  -1.864   0.340
  213   1HB   PHE  26          1HB       PHE  26  -8.906  -1.587   2.495
  214   2HB   PHE  26          2HB       PHE  26  -7.171  -1.366   2.638
  215    HD1  PHE  26           HD2      PHE  26  -6.183   0.852   3.103
  216    HD2  PHE  26           HD1      PHE  26 -10.454   0.364   2.761
  217    HE1  PHE  26           HE2      PHE  26  -6.546   3.036   4.200
  218    HE2  PHE  26           HE1      PHE  26 -10.797   2.432   4.043
  219    HZ   PHE  26           HZ       PHE  26  -8.828   3.778   4.803
  220    H    ILE  27           H        ILE  27 -10.247  -2.037   0.703
  221    HA   ILE  27           HA       ILE  27 -11.449  -0.135  -1.267
  222    HB   ILE  27           HB       ILE  27 -12.409  -2.879  -0.429
  223   1HG1  ILE  27          2HG1      ILE  27 -11.013  -2.001  -2.997
  224   2HG1  ILE  27          1HG1      ILE  27 -10.209  -2.870  -1.688
  225   1HG2  ILE  27          1HG2      ILE  27 -14.202  -1.337  -1.265
  226   2HG2  ILE  27          3HG2      ILE  27 -13.240  -1.033  -2.720
  227   3HG2  ILE  27          2HG2      ILE  27 -13.915  -2.638  -2.400
  228   1HD1  ILE  27          3HD1      ILE  27 -11.738  -4.784  -1.983
  229   2HD1  ILE  27          2HD1      ILE  27 -12.460  -3.969  -3.397
  230   3HD1  ILE  27          1HD1      ILE  27 -10.754  -4.428  -3.414
  231    NH1  ARG  28           NH1      ARG  28 -17.939   3.316  -1.085
  232    NH2  ARG  28           NH2      ARG  28 -18.792   4.823   0.445
  233    H    ARG  28           H        ARG  28 -13.373   0.924  -0.703
  234    HA   ARG  28           HA       ARG  28 -13.610   1.778   1.932
  235   1HB   ARG  28          2HB       ARG  28 -15.540   1.745  -0.419
  236   2HB   ARG  28          1HB       ARG  28 -16.005   2.438   1.141
  237   1HG   ARG  28          2HG       ARG  28 -14.192   4.032   1.101
  238   2HG   ARG  28          1HG       ARG  28 -13.505   3.306  -0.358
  239   1HD   ARG  28          2HD       ARG  28 -14.701   5.353  -0.892
  240   2HD   ARG  28          1HD       ARG  28 -15.477   3.974  -1.659
  241    HE   ARG  28           HE       ARG  28 -16.440   5.589   0.656
  242   1HH1  ARG  28          1HH1      ARG  28 -17.152   2.914  -1.569
  243   2HH1  ARG  28          2HH1      ARG  28 -18.858   2.927  -1.236
  244   1HH2  ARG  28          2HH2      ARG  28 -18.653   5.576   1.104
  245   2HH2  ARG  28          1HH2      ARG  28 -19.719   4.442   0.325
  246    H    THR  29           H        THR  29 -15.318  -0.922   0.397
  247    HA   THR  29           HA       THR  29 -16.929  -1.542   2.752
  248    HB   THR  29           HB       THR  29 -17.340  -3.630   1.308
  249    HG1  THR  29           HG1      THR  29 -16.377  -3.712  -0.636
  250   1HG2  THR  29          1HG2      THR  29 -18.876  -1.680   1.252
  251   2HG2  THR  29          2HG2      THR  29 -17.866  -0.912   0.008
  252   3HG2  THR  29          3HG2      THR  29 -18.721  -2.425  -0.351
  253    H    HIS  30           H        HIS  30 -14.337  -3.119   0.928
  254    HA   HIS  30           HA       HIS  30 -13.704  -4.944   3.170
  255   1HB   HIS  30          1HB       HIS  30 -12.253  -4.851   0.514
  256   2HB   HIS  30          2HB       HIS  30 -12.455  -6.195   1.633
  257    HD1  HIS  30           HD1      HIS  30 -15.252  -6.758   2.010
  258    HD2  HIS  30           HD2      HIS  30 -14.075  -4.851  -1.528
  259    HE1  HIS  30           HE1      HIS  30 -17.234  -6.807   0.424
  260    NH1  ARG  31           NH1      ARG  31 -13.753   2.502   4.512
  261    NH2  ARG  31           NH2      ARG  31 -12.287   3.689   5.819
  262    H    ARG  31           H        ARG  31 -13.284  -2.962   4.433
  263    HA   ARG  31           HA       ARG  31 -10.980  -1.374   4.039
  264   1HB   ARG  31          1HB       ARG  31 -12.342  -2.058   6.686
  265   2HB   ARG  31          2HB       ARG  31 -11.326  -0.656   6.309
  266   1HG   ARG  31          2HG       ARG  31 -13.020  -0.065   4.492
  267   2HG   ARG  31          1HG       ARG  31 -14.081  -1.293   5.191
  268   1HD   ARG  31          1HD       ARG  31 -14.850   0.662   6.175
  269   2HD   ARG  31          2HD       ARG  31 -13.868  -0.096   7.426
  270    HE   ARG  31           HE       ARG  31 -12.440   1.711   7.364
  271   1HH1  ARG  31          2HH1      ARG  31 -14.315   1.678   4.315
  272   2HH1  ARG  31          1HH1      ARG  31 -13.679   3.241   3.819
  273   1HH2  ARG  31          2HH2      ARG  31 -11.730   3.801   6.653
  274   2HH2  ARG  31          1HH2      ARG  31 -12.269   4.384   5.082
  275    H    GLU  32           H        GLU  32 -11.491  -4.262   6.022
  276    HA   GLU  32           HA       GLU  32  -8.715  -4.480   6.848
  277   1HB   GLU  32          2HB       GLU  32  -9.529  -6.567   7.884
  278   2HB   GLU  32          1HB       GLU  32 -10.477  -5.157   8.345
  279   1HG   GLU  32          2HG       GLU  32 -12.301  -5.854   6.803
  280   2HG   GLU  32          1HG       GLU  32 -11.322  -7.223   6.254
  281    OH   TYR  33           OH       TYR  33  -6.463  -8.047  -2.577
  282    H    TYR  33           H        TYR  33  -8.669  -4.308   4.081
  283    HA   TYR  33           HA       TYR  33  -7.327  -6.771   3.379
  284   1HB   TYR  33          1HB       TYR  33  -9.588  -7.460   2.786
  285   2HB   TYR  33          2HB       TYR  33  -9.893  -5.912   1.989
  286    HD1  TYR  33           HD2      TYR  33  -7.352  -8.707   1.829
  287    HD2  TYR  33           HD1      TYR  33  -9.745  -5.852  -0.351
  288    HE1  TYR  33           HE2      TYR  33  -6.110  -9.239  -0.239
  289    HE2  TYR  33           HE1      TYR  33  -8.569  -6.477  -2.441
  290    HH   TYR  33           HH       TYR  33  -5.575  -8.343  -2.339
  291    H    ILE  34           H        ILE  34  -5.655  -6.225   2.031
  292    HA   ILE  34           HA       ILE  34  -5.512  -3.403   1.093
  293    HB   ILE  34           HB       ILE  34  -3.295  -5.471   1.321
  294   1HG1  ILE  34          2HG1      ILE  34  -4.045  -5.129   3.570
  295   2HG1  ILE  34          1HG1      ILE  34  -2.582  -4.186   3.333
  296   1HG2  ILE  34          2HG2      ILE  34  -3.352  -2.461   0.841
  297   2HG2  ILE  34          3HG2      ILE  34  -1.894  -3.398   1.235
  298   3HG2  ILE  34          1HG2      ILE  34  -2.793  -3.732  -0.258
  299   1HD1  ILE  34          1HD1      ILE  34  -4.023  -2.121   3.040
  300   2HD1  ILE  34          3HD1      ILE  34  -5.440  -3.114   3.436
  301   3HD1  ILE  34          2HD1      ILE  34  -4.157  -2.894   4.627
  302    H    SER  35           H        SER  35  -6.153  -3.119  -0.915
  303    HA   SER  35           HA       SER  35  -6.401  -5.328  -2.843
  304   1HB   SER  35          2HB       SER  35  -7.659  -3.747  -4.129
  305   2HB   SER  35          1HB       SER  35  -8.101  -3.554  -2.414
  306    HG   SER  35           HG       SER  35  -6.677  -1.753  -2.331
  307    H    GLU  36           H        GLU  36  -4.652  -2.324  -2.416
  308    HA   GLU  36           HA       GLU  36  -2.520  -3.265  -4.307
  309   1HB   GLU  36          1HB       GLU  36  -4.113  -1.980  -5.675
  310   2HB   GLU  36          2HB       GLU  36  -4.048  -0.632  -4.555
  311   1HG   GLU  36          2HG       GLU  36  -1.589  -0.342  -5.150
  312   2HG   GLU  36          1HG       GLU  36  -1.823  -1.589  -6.389
  313    NH1  ARG  37           NH2      ARG  37   0.971  -4.766   3.092
  314    NH2  ARG  37           NH1      ARG  37   0.242  -6.558   1.856
  315    H    ARG  37           H        ARG  37  -0.506  -1.932  -4.098
  316    HA   ARG  37           HA       ARG  37  -0.311  -0.241  -1.716
  317   1HB   ARG  37          2HB       ARG  37   1.341  -2.790  -2.143
  318   2HB   ARG  37          1HB       ARG  37   1.848  -1.398  -1.133
  319   1HG   ARG  37          1HG       ARG  37  -0.185  -1.538   0.111
  320   2HG   ARG  37          2HG       ARG  37  -0.616  -3.074  -0.686
  321   1HD   ARG  37          2HD       ARG  37   2.102  -2.981   0.516
  322   2HD   ARG  37          1HD       ARG  37   0.808  -2.681   1.667
  323    HE   ARG  37           HE       ARG  37   0.572  -5.071  -0.099
  324   1HH1  ARG  37          2HH2      ARG  37   1.377  -3.843   3.154
  325   2HH1  ARG  37          1HH2      ARG  37   0.798  -5.238   3.985
  326   1HH2  ARG  37          1HH1      ARG  37   0.093  -6.972   0.945
  327   2HH2  ARG  37          2HH1      ARG  37   0.207  -7.130   2.689
  328    H    GLY  38           H        GLY  38   1.635   1.006  -1.714
  329   1HA   GLY  38          2HA       GLY  38   3.470   0.828  -3.911
  330   2HA   GLY  38          1HA       GLY  38   2.204   1.938  -4.416
  331    H    CYS  39           H        CYS  39   4.024   3.301  -4.721
  332    HA   CYS  39           HA       CYS  39   5.582   4.342  -2.485
  333   1HB   CYS  39          1HB       CYS  39   5.570   5.168  -5.421
  334   2HB   CYS  39          2HB       CYS  39   6.862   5.365  -4.247
  335    H    GLY  40           H        GLY  40   5.642   6.555  -1.925
  336   1HA   GLY  40          1HA       GLY  40   4.782   8.609  -1.456
  337   2HA   GLY  40          2HA       GLY  40   4.885   8.815  -3.171
  338    H    CYS  41           H        CYS  41   3.008   7.610  -0.914
  339    HA   CYS  41           HA       CYS  41   0.526   6.892  -1.530
  340   1HB   CYS  41          1HB       CYS  41   1.380   7.305   0.760
  341   2HB   CYS  41          2HB       CYS  41   1.031   9.017   0.551
  342    HA   PRO  42           HA       PRO  42  -1.226  10.470  -3.728
  343   1HB   PRO  42          2HB       PRO  42  -2.199   9.249  -5.927
  344   2HB   PRO  42          1HB       PRO  42  -0.444   9.473  -5.704
  345   1HG   PRO  42          1HG       PRO  42  -2.107   6.997  -5.130
  346   2HG   PRO  42          2HG       PRO  42  -0.563   7.085  -6.025
  347   1HD   PRO  42          1HD       PRO  42  -0.822   6.466  -3.319
  348   2HD   PRO  42          2HD       PRO  42   0.665   7.160  -4.040
  349    H    THR  43           H        THR  43  -3.554  10.741  -4.580
  350    HA   THR  43           HA       THR  43  -5.427   9.871  -2.592
  351    HB   THR  43           HB       THR  43  -6.203  10.929  -5.316
  352    HG1  THR  43           HG1      THR  43  -4.930  12.395  -3.237
  353   1HG2  THR  43          3HG2      THR  43  -7.140  11.581  -2.479
  354   2HG2  THR  43          2HG2      THR  43  -7.774  12.301  -3.973
  355   3HG2  THR  43          1HG2      THR  43  -8.001  10.572  -3.666
  356    H    ALA  44           H        ALA  44  -7.273   8.485  -2.977
  357    HA   ALA  44           HA       ALA  44  -6.705   6.251  -4.873
  358   1HB   ALA  44          2HB       ALA  44  -8.477   6.414  -2.407
  359   2HB   ALA  44          3HB       ALA  44  -8.251   4.985  -3.438
  360   3HB   ALA  44          1HB       ALA  44  -6.885   5.624  -2.521
  361    H    MET  45           H        MET  45  -8.259   5.587  -6.341
  362    HA   MET  45           HA       MET  45 -10.326   7.493  -7.117
  363   1HB   MET  45          1HB       MET  45  -9.626   4.702  -8.159
  364   2HB   MET  45          2HB       MET  45 -10.701   5.880  -8.908
  365   1HG   MET  45          2HG       MET  45  -8.725   6.105 -10.129
  366   2HG   MET  45          1HG       MET  45  -8.709   7.476  -9.025
  367   1HE   MET  45          2HE       MET  45  -7.139   4.137 -10.154
  368   2HE   MET  45          1HE       MET  45  -5.883   3.822  -8.936
  369   3HE   MET  45          3HE       MET  45  -7.594   3.615  -8.511
  370    CH2  TRP  46           CH2      TRP  46 -19.990   4.680  -5.076
  371    H    TRP  46           H        TRP  46 -12.680   6.802  -7.148
  372    HA   TRP  46           HA       TRP  46 -13.350   5.410  -4.721
  373   1HB   TRP  46          2HB       TRP  46 -14.691   7.275  -6.087
  374   2HB   TRP  46          1HB       TRP  46 -15.231   5.863  -6.922
  375    HD1  TRP  46           HD1      TRP  46 -14.927   6.567  -3.276
  376    HE1  TRP  46           HE1      TRP  46 -17.201   5.912  -2.074
  377    HE3  TRP  46           HE3      TRP  46 -17.497   5.365  -7.345
  378    HZ2  TRP  46           HZ2      TRP  46 -19.789   4.963  -2.939
  379    HZ3  TRP  46           HZ3      TRP  46 -19.892   4.544  -7.230
  380    HH2  TRP  46           HH2      TRP  46 -21.015   4.343  -5.022
  381    HA   PRO  47           HA       PRO  47 -14.659   3.934  -3.800
  382   1HB   PRO  47          1HB       PRO  47 -15.712   1.623  -3.049
  383   2HB   PRO  47          2HB       PRO  47 -16.421   2.491  -4.435
  384   1HG   PRO  47          2HG       PRO  47 -14.404   0.218  -4.541
  385   2HG   PRO  47          1HG       PRO  47 -15.962   0.333  -5.408
  386   1HD   PRO  47          1HD       PRO  47 -13.509   1.123  -6.488
  387   2HD   PRO  47          2HD       PRO  47 -15.074   1.828  -6.972
  388    OH   TYR  48           OH       TYR  48 -10.402  -1.957  -7.350
  389    H    TYR  48           H        TYR  48 -11.825   3.704  -4.274
  390    HA   TYR  48           HA       TYR  48 -10.909   1.758  -2.219
  391   1HB   TYR  48          1HB       TYR  48  -9.384   3.279  -4.367
  392   2HB   TYR  48          2HB       TYR  48  -8.704   2.195  -3.168
  393    HD1  TYR  48           HD2      TYR  48  -9.030  -0.253  -3.366
  394    HD2  TYR  48           HD1      TYR  48 -10.679   2.455  -6.289
  395    HE1  TYR  48           HE2      TYR  48  -9.347  -2.136  -4.953
  396    HE2  TYR  48           HE1      TYR  48 -11.031   0.576  -7.842
  397    HH   TYR  48           HH       TYR  48 -10.778  -1.691  -8.192
  398    H    GLN  49           H        GLN  49  -9.208   2.510  -0.747
  399    HA   GLN  49           HA       GLN  49  -9.017   5.424  -0.285
  400   1HB   GLN  49          2HB       GLN  49 -10.015   3.298   1.498
  401   2HB   GLN  49          1HB       GLN  49  -9.085   4.640   2.163
  402   1HG   GLN  49          1HG       GLN  49 -10.763   6.197   0.980
  403   2HG   GLN  49          2HG       GLN  49 -11.738   4.753   0.679
  404   1HE2  GLN  49          2HE2      GLN  49 -11.401   6.370   4.483
  405   2HE2  GLN  49          1HE2      GLN  49 -10.231   6.757   3.242
  406    H    THR  50           H        THR  50  -6.879   5.903  -0.250
  407    HA   THR  50           HA       THR  50  -4.844   3.866   0.356
  408    HB   THR  50           HB       THR  50  -3.444   6.086  -0.183
  409    HG1  THR  50           HG1      THR  50  -4.526   7.380  -1.632
  410   1HG2  THR  50          2HG2      THR  50  -4.876   4.421  -2.284
  411   2HG2  THR  50          1HG2      THR  50  -3.413   5.403  -2.547
  412   3HG2  THR  50          3HG2      THR  50  -3.365   4.010  -1.452
  413    H    GLU  51           H        GLU  51  -3.893   3.700   2.317
  414    HA   GLU  51           HA       GLU  51  -3.895   6.125   4.076
  415   1HB   GLU  51          2HB       GLU  51  -3.691   4.726   6.025
  416   2HB   GLU  51          1HB       GLU  51  -5.226   4.506   5.189
  417   1HG   GLU  51          2HG       GLU  51  -4.181   2.520   4.043
  418   2HG   GLU  51          1HG       GLU  51  -2.792   2.683   5.144
  419    H    CYS  52           H        CYS  52  -1.892   6.861   4.562
  420    HA   CYS  52           HA       CYS  52   0.329   5.677   3.078
  421   1HB   CYS  52          2HB       CYS  52   0.310   8.271   4.577
  422   2HB   CYS  52          1HB       CYS  52   1.236   7.842   3.148
  423    H    CYS  53           H        CYS  53   2.533   5.819   4.038
  424    HA   CYS  53           HA       CYS  53   2.889   6.345   6.864
  425   1HB   CYS  53          1HB       CYS  53   3.781   4.169   7.483
  426   2HB   CYS  53          2HB       CYS  53   2.094   4.008   6.979
  427    H    LYS  54           H        LYS  54   5.385   5.926   7.356
  428    HA   LYS  54           HA       LYS  54   7.035   6.397   4.953
  429   1HB   LYS  54          1HB       LYS  54   8.339   7.853   6.544
  430   2HB   LYS  54          2HB       LYS  54   6.838   8.554   5.923
  431   1HG   LYS  54          1HG       LYS  54   5.707   8.089   8.052
  432   2HG   LYS  54          2HG       LYS  54   7.145   7.232   8.656
  433   1HD   LYS  54          1HD       LYS  54   8.455   9.334   8.529
  434   2HD   LYS  54          2HD       LYS  54   7.058  10.173   7.834
  435   1HE   LYS  54          1HE       LYS  54   7.242  10.703  10.207
  436   2HE   LYS  54          2HE       LYS  54   5.763   9.776   9.915
  437   1HZ   LYS  54          1HZ       LYS  54   8.294   8.684  10.940
  438   2HZ   LYS  54          2HZ       LYS  54   6.956   9.020  11.840
  439   3HZ   LYS  54          3HZ       LYS  54   6.904   7.830  10.703
  440    H    GLY  55           H        GLY  55   9.067   5.479   5.047
  441   1HA   GLY  55          2HA       GLY  55  10.884   4.474   6.210
  442   2HA   GLY  55          1HA       GLY  55   9.811   3.799   7.430
  443    H    ASP  56           H        ASP  56  11.757   2.329   5.944
  444    HA   ASP  56           HA       ASP  56  10.768   1.037   3.676
  445   1HB   ASP  56          1HB       ASP  56  12.488  -0.090   5.758
  446   2HB   ASP  56          2HB       ASP  56  12.308  -0.759   4.176
  447    NH1  ARG  57           NH2      ARG  57   9.338  -7.674   4.725
  448    NH2  ARG  57           NH1      ARG  57  11.055  -7.274   3.231
  449    H    ARG  57           H        ARG  57   9.725  -0.700   3.342
  450    HA   ARG  57           HA       ARG  57   7.593  -1.580   3.411
  451   1HB   ARG  57          2HB       ARG  57   7.871  -3.745   4.253
  452   2HB   ARG  57          1HB       ARG  57   9.366  -3.257   3.514
  453   1HG   ARG  57          1HG       ARG  57  10.495  -2.996   5.614
  454   2HG   ARG  57          2HG       ARG  57   8.986  -3.096   6.534
  455   1HD   ARG  57          1HD       ARG  57  10.224  -5.212   6.667
  456   2HD   ARG  57          2HD       ARG  57   8.650  -5.388   5.884
  457    HE   ARG  57           HE       ARG  57  11.004  -4.962   4.144
  458   1HH1  ARG  57          2HH2      ARG  57   8.643  -7.332   5.377
  459   2HH1  ARG  57          1HH2      ARG  57   9.315  -8.648   4.459
  460   1HH2  ARG  57          1HH1      ARG  57  11.745  -6.652   2.836
  461   2HH2  ARG  57          2HH1      ARG  57  11.011  -8.230   2.912
  462    H    CYS  58           H        CYS  58   7.510   0.711   5.236
  463    HA   CYS  58           HA       CYS  58   6.364   0.006   7.700
  464   1HB   CYS  58          1HB       CYS  58   5.517   2.279   7.714
  465   2HB   CYS  58          2HB       CYS  58   7.171   2.229   7.105
  466    H    ASN  59           H        ASN  59   4.927  -0.002   4.490
  467    HA   ASN  59           HA       ASN  59   2.150   0.171   5.415
  468   1HB   ASN  59          2HB       ASN  59   1.640  -0.049   3.029
  469   2HB   ASN  59          1HB       ASN  59   2.764   1.267   3.324
  470   1HD2  ASN  59          2HD2      ASN  59   3.779  -0.839   0.315
  471   2HD2  ASN  59          1HD2      ASN  59   2.494   0.252   0.792
  472    H    LYS  60           H        LYS  60   2.913  -1.706   6.845
  473    HA   LYS  60           HA       LYS  60   3.065  -4.398   5.888
  474   1HB   LYS  60          2HB       LYS  60   2.062  -3.228   8.510
  475   2HB   LYS  60          1HB       LYS  60   2.389  -4.949   8.228
  476   1HG   LYS  60          1HG       LYS  60   4.723  -4.607   8.024
  477   2HG   LYS  60          2HG       LYS  60   4.562  -2.861   7.800
  478   1HD   LYS  60          1HD       LYS  60   5.410  -3.330  10.021
  479   2HD   LYS  60          2HD       LYS  60   3.805  -2.589  10.121
  480   1HE   LYS  60          1HE       LYS  60   2.780  -4.801  10.547
  481   2HE   LYS  60          2HE       LYS  60   4.355  -5.592  10.339
  482   1HZ   LYS  60          1HZ       LYS  60   3.669  -3.642  12.425
  483   2HZ   LYS  60          2HZ       LYS  60   3.802  -5.271  12.627
  484   3HZ   LYS  60          3HZ       LYS  60   5.133  -4.379  12.244
   
  Start of MODEL          15
 Raw file had  484 H/Q atoms
  Start of MODEL   15
    1    NH1  ARG   1           NH2      ARG   1  13.668   5.198   4.723
    2    NH2  ARG   1           NH1      ARG   1  12.936   7.328   4.222
    3   1H    ARG   1          3H        ARG   1  10.812   3.800  -1.408
    4   2H    ARG   1          2H        ARG   1  11.363   5.223  -0.781
    5   3H    ARG   1          1H        ARG   1  12.411   4.062  -1.354
    6    HA   ARG   1           HA       ARG   1  12.409   3.725   0.960
    7   1HB   ARG   1          1HB       ARG   1  10.417   5.265   1.241
    8   2HB   ARG   1          2HB       ARG   1   9.364   3.966   0.700
    9   1HG   ARG   1          1HG       ARG   1   9.274   4.245   3.115
   10   2HG   ARG   1          2HG       ARG   1   9.942   2.660   2.722
   11   1HD   ARG   1          1HD       ARG   1  11.231   3.741   4.521
   12   2HD   ARG   1          2HD       ARG   1  12.234   3.529   3.113
   13    HE   ARG   1           HE       ARG   1  10.960   6.141   3.210
   14   1HH1  ARG   1          2HH2      ARG   1  13.523   4.192   4.774
   15   2HH1  ARG   1          1HH2      ARG   1  14.491   5.579   5.163
   16   1HH2  ARG   1          1HH1      ARG   1  12.216   7.958   3.885
   17   2HH2  ARG   1          2HH1      ARG   1  13.750   7.723   4.666
   18    H    ILE   2           H        ILE   2  12.069   1.447   1.979
   19    HA   ILE   2           HA       ILE   2  11.619  -0.564  -0.111
   20    HB   ILE   2           HB       ILE   2  12.188  -0.729   2.878
   21   1HG1  ILE   2          1HG1      ILE   2  14.031   0.097   1.273
   22   2HG1  ILE   2          2HG1      ILE   2  14.411  -1.238   2.363
   23   1HG2  ILE   2          1HG2      ILE   2  11.850  -2.975   0.860
   24   2HG2  ILE   2          3HG2      ILE   2  12.686  -3.158   2.421
   25   3HG2  ILE   2          2HG2      ILE   2  10.981  -2.738   2.385
   26   1HD1  ILE   2          1HD1      ILE   2  13.512  -1.669  -0.504
   27   2HD1  ILE   2          3HD1      ILE   2  15.212  -1.547   0.012
   28   3HD1  ILE   2          2HD1      ILE   2  14.197  -2.870   0.609
   29    H    CYS   3           H        CYS   3   9.439  -1.058  -0.657
   30    HA   CYS   3           HA       CYS   3   7.660  -1.635   1.663
   31   1HB   CYS   3          1HB       CYS   3   6.927   0.401  -0.471
   32   2HB   CYS   3          2HB       CYS   3   5.790  -0.329   0.642
   33    OH   TYR   4           OH       TYR   4   7.274  -8.415   4.662
   34    H    TYR   4           H        TYR   4   5.918  -2.924   1.216
   35    HA   TYR   4           HA       TYR   4   6.454  -4.974  -0.776
   36   1HB   TYR   4          2HB       TYR   4   4.346  -4.518   1.342
   37   2HB   TYR   4          1HB       TYR   4   4.264  -5.853   0.200
   38    HD1  TYR   4           HD1      TYR   4   6.731  -4.404   2.688
   39    HD2  TYR   4           HD2      TYR   4   5.139  -7.898   0.728
   40    HE1  TYR   4           HE1      TYR   4   7.802  -5.853   4.380
   41    HE2  TYR   4           HE2      TYR   4   6.248  -9.336   2.418
   42    HH   TYR   4           HH       TYR   4   6.542  -8.235   5.279
   43    H    SER   5           H        SER   5   6.349  -3.524  -2.538
   44    HA   SER   5           HA       SER   5   3.768  -2.372  -3.324
   45   1HB   SER   5          1HB       SER   5   6.364  -2.694  -4.859
   46   2HB   SER   5          2HB       SER   5   5.001  -1.646  -5.313
   47    HG   SER   5           HG       SER   5   6.501  -1.488  -2.877
   48    H    HIS   6           H        HIS   6   2.315  -4.090  -3.376
   49    HA   HIS   6           HA       HIS   6   2.299  -5.620  -5.836
   50   1HB   HIS   6          1HB       HIS   6   2.342  -7.811  -4.911
   51   2HB   HIS   6          2HB       HIS   6   3.764  -7.007  -4.257
   52    HD1  HIS   6           HD1      HIS   6   2.693  -5.603  -1.746
   53    HD2  HIS   6           HD2      HIS   6   1.389  -9.418  -2.914
   54    HE1  HIS   6           HE1      HIS   6   1.796  -6.793   0.310
   55    H    LYS   7           H        LYS   7   0.306  -6.968  -5.943
   56    HA   LYS   7           HA       LYS   7  -1.996  -5.625  -4.661
   57   1HB   LYS   7          2HB       LYS   7  -3.367  -6.839  -6.155
   58   2HB   LYS   7          1HB       LYS   7  -2.070  -6.072  -7.082
   59   1HG   LYS   7          1HG       LYS   7  -0.856  -8.334  -7.033
   60   2HG   LYS   7          2HG       LYS   7  -2.326  -9.016  -6.328
   61   1HD   LYS   7          2HD       LYS   7  -2.122  -7.612  -9.034
   62   2HD   LYS   7          1HD       LYS   7  -2.190  -9.361  -8.770
   63   1HE   LYS   7          1HE       LYS   7  -4.449  -9.067  -7.680
   64   2HE   LYS   7          2HE       LYS   7  -4.396  -7.348  -8.121
   65   1HZ   LYS   7          1HZ       LYS   7  -4.238  -7.991 -10.403
   66   2HZ   LYS   7          3HZ       LYS   7  -4.297  -9.590 -10.004
   67   3HZ   LYS   7          2HZ       LYS   7  -5.595  -8.618  -9.710
   68    H    ALA   8           H        ALA   8  -3.440  -6.920  -3.299
   69    HA   ALA   8           HA       ALA   8  -1.944  -8.660  -1.547
   70   1HB   ALA   8          2HB       ALA   8  -3.591  -6.986  -0.774
   71   2HB   ALA   8          1HB       ALA   8  -4.895  -7.919  -1.547
   72   3HB   ALA   8          3HB       ALA   8  -3.978  -8.614  -0.196
   73    H    SER   9           H        SER   9  -1.781 -10.114  -3.849
   74    HA   SER   9           HA       SER   9  -3.691 -12.364  -3.441
   75   1HB   SER   9          2HB       SER   9  -2.667 -13.127  -5.668
   76   2HB   SER   9          1HB       SER   9  -3.622 -11.635  -5.754
   77    HG   SER   9           HG       SER   9  -1.508 -11.526  -6.788
   78    H    LEU  10           H        LEU  10  -1.341 -11.451  -1.903
   79    HA   LEU  10           HA       LEU  10   0.252 -12.257  -0.553
   80   1HB   LEU  10          1HB       LEU  10  -0.744 -15.027  -1.320
   81   2HB   LEU  10          2HB       LEU  10   0.098 -14.561   0.157
   82    HG   LEU  10           HG       LEU  10  -2.720 -13.693  -0.625
   83   1HD1  LEU  10          3HD1      LEU  10  -2.510 -16.052   0.057
   84   2HD1  LEU  10          2HD1      LEU  10  -1.695 -15.553   1.555
   85   3HD1  LEU  10          1HD1      LEU  10  -3.388 -15.098   1.266
   86   1HD2  LEU  10          1HD2      LEU  10  -1.058 -13.060   1.858
   87   2HD2  LEU  10          2HD2      LEU  10  -1.664 -11.887   0.665
   88   3HD2  LEU  10          3HD2      LEU  10  -2.801 -12.763   1.693
   89    HA   PRO  11           HA       PRO  11   3.227 -14.195  -3.689
   90   1HB   PRO  11          2HB       PRO  11   4.156 -12.180  -5.332
   91   2HB   PRO  11          1HB       PRO  11   2.881 -13.339  -5.780
   92   1HG   PRO  11          1HG       PRO  11   2.493 -10.527  -4.761
   93   2HG   PRO  11          2HG       PRO  11   1.684 -11.339  -6.121
   94   1HD   PRO  11          1HD       PRO  11   0.465 -11.200  -3.730
   95   2HD   PRO  11          2HD       PRO  11   0.391 -12.679  -4.734
   96    NH1  ARG  12           NH2      ARG  12   4.409  -9.936   4.352
   97    NH2  ARG  12           NH1      ARG  12   2.466  -8.761   4.031
   98    H    ARG  12           H        ARG  12   3.085 -11.103  -2.988
   99    HA   ARG  12           HA       ARG  12   4.040  -9.492  -1.534
  100   1HB   ARG  12          2HB       ARG  12   5.749 -11.689  -0.319
  101   2HB   ARG  12          1HB       ARG  12   5.333 -10.092   0.310
  102   1HG   ARG  12          2HG       ARG  12   2.824 -11.006   0.082
  103   2HG   ARG  12          1HG       ARG  12   3.639 -12.575   0.074
  104   1HD   ARG  12          1HD       ARG  12   3.360 -12.429   2.321
  105   2HD   ARG  12          2HD       ARG  12   4.860 -11.501   2.238
  106    HE   ARG  12           HE       ARG  12   2.215 -10.130   1.988
  107   1HH1  ARG  12          2HH2      ARG  12   5.066 -10.656   4.106
  108   2HH1  ARG  12          1HH2      ARG  12   4.645  -9.257   5.082
  109   1HH2  ARG  12          2HH1      ARG  12   1.644  -8.539   3.491
  110   2HH2  ARG  12          1HH1      ARG  12   2.733  -8.130   4.794
  111    H    ALA  13           H        ALA  13   5.238  -8.079  -2.616
  112    HA   ALA  13           HA       ALA  13   7.974  -8.840  -3.572
  113   1HB   ALA  13          2HB       ALA  13   6.418  -8.965  -5.478
  114   2HB   ALA  13          3HB       ALA  13   5.890  -7.296  -5.168
  115   3HB   ALA  13          1HB       ALA  13   7.567  -7.623  -5.641
  116    H    THR  14           H        THR  14   9.193  -7.669  -2.121
  117    HA   THR  14           HA       THR  14   8.450  -4.939  -1.343
  118    HB   THR  14           HB       THR  14  10.609  -5.091  -0.185
  119    HG1  THR  14           HG1      THR  14  11.413  -6.745  -1.696
  120   1HG2  THR  14          3HG2      THR  14   8.642  -7.352   0.395
  121   2HG2  THR  14          2HG2      THR  14   9.899  -6.772   1.511
  122   3HG2  THR  14          1HG2      THR  14   8.604  -5.675   0.997
  123    H    LYS  15           H        LYS  15   9.002  -3.195  -2.557
  124    HA   LYS  15           HA       LYS  15  11.450  -3.488  -4.299
  125   1HB   LYS  15          1HB       LYS  15  10.560  -2.382  -6.039
  126   2HB   LYS  15          2HB       LYS  15   9.153  -3.296  -5.495
  127   1HG   LYS  15          1HG       LYS  15   8.379  -1.206  -4.296
  128   2HG   LYS  15          2HG       LYS  15   9.757  -0.336  -4.984
  129   1HD   LYS  15          2HD       LYS  15   9.024  -0.889  -7.276
  130   2HD   LYS  15          1HD       LYS  15   7.603  -1.726  -6.632
  131   1HE   LYS  15          1HE       LYS  15   6.867   0.420  -5.554
  132   2HE   LYS  15          2HE       LYS  15   8.282   1.228  -6.253
  133   1HZ   LYS  15          2HZ       LYS  15   7.446   0.693  -8.419
  134   2HZ   LYS  15          3HZ       LYS  15   6.127  -0.058  -7.774
  135   3HZ   LYS  15          1HZ       LYS  15   6.337   1.564  -7.568
  136    H    THR  16           H        THR  16  12.798  -1.755  -4.454
  137    HA   THR  16           HA       THR  16  12.863   0.044  -2.098
  138    HB   THR  16           HB       THR  16  14.949  -0.408  -4.285
  139    HG1  THR  16           HG1      THR  16  14.453  -2.320  -3.069
  140   1HG2  THR  16          2HG2      THR  16  15.122   0.743  -1.455
  141   2HG2  THR  16          3HG2      THR  16  16.484   0.497  -2.566
  142   3HG2  THR  16          1HG2      THR  16  15.228   1.685  -2.961
  143    H    CYS  17           H        CYS  17  11.149   1.482  -2.732
  144    HA   CYS  17           HA       CYS  17  11.195   2.648  -5.435
  145   1HB   CYS  17          1HB       CYS  17   9.158   2.274  -3.791
  146   2HB   CYS  17          2HB       CYS  17   9.694   3.887  -3.260
  147    H    VAL  18           H        VAL  18  11.034   5.123  -5.520
  148    HA   VAL  18           HA       VAL  18  13.470   6.299  -4.364
  149    HB   VAL  18           HB       VAL  18  12.809   8.182  -5.882
  150   1HG1  VAL  18          1HG1      VAL  18  14.507   6.490  -6.486
  151   2HG1  VAL  18          2HG1      VAL  18  13.241   5.456  -7.181
  152   3HG1  VAL  18          3HG1      VAL  18  13.612   7.029  -7.916
  153   1HG2  VAL  18          3HG2      VAL  18  10.400   7.747  -6.228
  154   2HG2  VAL  18          2HG2      VAL  18  11.298   7.821  -7.739
  155   3HG2  VAL  18          1HG2      VAL  18  10.795   6.252  -7.109
  156    H    GLU  19           H        GLU  19   9.935   6.782  -4.366
  157    HA   GLU  19           HA       GLU  19   9.870   9.164  -2.887
  158   1HB   GLU  19          1HB       GLU  19   7.859   6.866  -2.691
  159   2HB   GLU  19          2HB       GLU  19   7.561   8.538  -2.230
  160   1HG   GLU  19          1HG       GLU  19   8.148   7.548  -5.012
  161   2HG   GLU  19          2HG       GLU  19   6.586   8.105  -4.441
  162    H    ASN  20           H        ASN  20   9.521   9.664  -0.769
  163    HA   ASN  20           HA       ASN  20  10.832   8.004   1.227
  164   1HB   ASN  20          2HB       ASN  20  11.049  10.437   1.297
  165   2HB   ASN  20          1HB       ASN  20   9.289  10.636   1.335
  166   1HD2  ASN  20          1HD2      ASN  20   9.176  10.417   4.854
  167   2HD2  ASN  20          2HD2      ASN  20   8.401  10.951   3.374
  168    H    THR  21           H        THR  21   7.516   8.394   0.009
  169    HA   THR  21           HA       THR  21   6.393   7.298   2.541
  170    HB   THR  21           HB       THR  21   4.266   8.210   1.320
  171    HG1  THR  21           HG1      THR  21   4.863   9.986  -0.069
  172   1HG2  THR  21          1HG2      THR  21   6.405  10.111   2.376
  173   2HG2  THR  21          3HG2      THR  21   4.675  10.482   2.215
  174   3HG2  THR  21          2HG2      THR  21   5.205   9.230   3.349
  175    H    CYS  22           H        CYS  22   4.445   5.931   2.122
  176    HA   CYS  22           HA       CYS  22   4.358   4.342  -0.332
  177   1HB   CYS  22          2HB       CYS  22   4.915   3.138   2.401
  178   2HB   CYS  22          1HB       CYS  22   4.449   2.218   0.989
  179    OH   TYR  23           OH       TYR  23  -0.239   1.543  -5.216
  180    H    TYR  23           H        TYR  23   2.468   2.613   0.247
  181    HA   TYR  23           HA       TYR  23   0.429   3.819   2.027
  182   1HB   TYR  23          1HB       TYR  23  -1.247   3.916   0.289
  183   2HB   TYR  23          2HB       TYR  23   0.127   4.912  -0.104
  184    HD1  TYR  23           HD2      TYR  23  -1.703   1.773  -0.922
  185    HD2  TYR  23           HD1      TYR  23   1.559   4.317  -2.097
  186    HE1  TYR  23           HE2      TYR  23  -1.709   0.736  -3.162
  187    HE2  TYR  23           HE1      TYR  23   1.411   3.410  -4.407
  188    HH   TYR  23           HH       TYR  23  -0.936   0.890  -5.362
  189    H    LYS  24           H        LYS  24  -1.449   2.552   2.057
  190    HA   LYS  24           HA       LYS  24  -1.297  -0.148   0.931
  191   1HB   LYS  24          1HB       LYS  24  -2.180  -1.241   2.947
  192   2HB   LYS  24          2HB       LYS  24  -0.551  -0.568   3.150
  193   1HG   LYS  24          1HG       LYS  24  -1.512   1.379   4.357
  194   2HG   LYS  24          2HG       LYS  24  -3.128   0.667   4.127
  195   1HD   LYS  24          2HD       LYS  24  -2.378   0.165   6.353
  196   2HD   LYS  24          1HD       LYS  24  -2.465  -1.331   5.412
  197   1HE   LYS  24          1HE       LYS  24  -0.016  -1.358   5.147
  198   2HE   LYS  24          2HE       LYS  24   0.116   0.250   5.889
  199   1HZ   LYS  24          1HZ       LYS  24  -0.699  -0.707   7.916
  200   2HZ   LYS  24          3HZ       LYS  24  -0.823  -2.194   7.215
  201   3HZ   LYS  24          2HZ       LYS  24   0.656  -1.491   7.403
  202    H    MET  25           H        MET  25  -2.969  -0.611  -0.130
  203    HA   MET  25           HA       MET  25  -5.201   1.354  -0.305
  204   1HB   MET  25          2HB       MET  25  -3.864   1.049  -2.291
  205   2HB   MET  25          1HB       MET  25  -4.218  -0.675  -2.201
  206   1HG   MET  25          2HG       MET  25  -6.657  -0.161  -2.500
  207   2HG   MET  25          1HG       MET  25  -6.244   1.548  -2.662
  208   1HE   MET  25          3HE       MET  25  -5.166   2.592  -4.811
  209   2HE   MET  25          1HE       MET  25  -3.707   1.601  -4.548
  210   3HE   MET  25          2HE       MET  25  -4.486   1.629  -6.142
  211    H    PHE  26           H        PHE  26  -7.191   0.774   0.356
  212    HA   PHE  26           HA       PHE  26  -7.906  -2.095   0.669
  213   1HB   PHE  26          1HB       PHE  26  -8.901  -1.551   2.856
  214   2HB   PHE  26          2HB       PHE  26  -7.175  -1.189   2.853
  215    HD1  PHE  26           HD1      PHE  26  -6.386   1.221   2.680
  216    HD2  PHE  26           HD2      PHE  26 -10.534   0.175   3.217
  217    HE1  PHE  26           HE1      PHE  26  -6.912   3.561   3.283
  218    HE2  PHE  26           HE2      PHE  26 -11.008   2.470   4.014
  219    HZ   PHE  26           HZ       PHE  26  -9.195   4.178   4.037
  220    H    ILE  27           H        ILE  27 -10.319  -2.332   0.862
  221    HA   ILE  27           HA       ILE  27 -11.615  -0.518  -1.080
  222    HB   ILE  27           HB       ILE  27 -12.509  -3.058   0.315
  223   1HG1  ILE  27          2HG1      ILE  27 -11.923  -2.255  -2.574
  224   2HG1  ILE  27          1HG1      ILE  27 -10.965  -3.336  -1.547
  225   1HG2  ILE  27          2HG2      ILE  27 -14.487  -1.507   0.113
  226   2HG2  ILE  27          1HG2      ILE  27 -14.151  -1.355  -1.619
  227   3HG2  ILE  27          3HG2      ILE  27 -14.634  -2.911  -0.914
  228   1HD1  ILE  27          1HD1      ILE  27 -12.988  -4.886  -1.491
  229   2HD1  ILE  27          3HD1      ILE  27 -13.720  -3.840  -2.734
  230   3HD1  ILE  27          2HD1      ILE  27 -12.210  -4.685  -3.080
  231    NH1  ARG  28           NH1      ARG  28 -17.531   4.702   2.005
  232    NH2  ARG  28           NH2      ARG  28 -18.419   4.151  -0.058
  233    H    ARG  28           H        ARG  28 -12.688   1.226  -0.461
  234    HA   ARG  28           HA       ARG  28 -12.545   2.316   2.116
  235   1HB   ARG  28          1HB       ARG  28 -13.056   3.545  -0.021
  236   2HB   ARG  28          2HB       ARG  28 -14.678   2.844   0.023
  237   1HG   ARG  28          2HG       ARG  28 -14.964   3.950   2.327
  238   2HG   ARG  28          1HG       ARG  28 -13.425   4.760   2.033
  239   1HD   ARG  28          2HD       ARG  28 -15.292   6.246   1.419
  240   2HD   ARG  28          1HD       ARG  28 -14.351   5.810  -0.005
  241    HE   ARG  28           HE       ARG  28 -16.194   4.869  -0.926
  242   1HH1  ARG  28          2HH1      ARG  28 -16.758   5.049   2.552
  243   2HH1  ARG  28          1HH1      ARG  28 -18.402   4.480   2.465
  244   1HH2  ARG  28          1HH2      ARG  28 -18.319   4.077  -1.061
  245   2HH2  ARG  28          2HH2      ARG  28 -19.313   3.945   0.362
  246    H    THR  29           H        THR  29 -15.370   0.810   0.588
  247    HA   THR  29           HA       THR  29 -17.078   0.912   2.834
  248    HB   THR  29           HB       THR  29 -17.244  -1.052   0.513
  249    HG1  THR  29           HG1      THR  29 -17.630   1.757   0.571
  250   1HG2  THR  29          2HG2      THR  29 -19.354   0.601   1.993
  251   2HG2  THR  29          3HG2      THR  29 -19.657  -0.467   0.607
  252   3HG2  THR  29          1HG2      THR  29 -19.112  -1.152   2.145
  253    H    HIS  30           H        HIS  30 -14.393  -1.322   2.257
  254    HA   HIS  30           HA       HIS  30 -15.386  -3.108   4.392
  255   1HB   HIS  30          2HB       HIS  30 -13.892  -3.831   1.854
  256   2HB   HIS  30          1HB       HIS  30 -14.336  -4.888   3.162
  257    HD1  HIS  30           HD1      HIS  30 -17.366  -3.347   3.178
  258    HD2  HIS  30           HD2      HIS  30 -15.479  -5.501   0.111
  259    HE1  HIS  30           HE1      HIS  30 -19.178  -4.156   1.591
  260    NH1  ARG  31           NH1      ARG  31  -8.219   2.251   7.200
  261    NH2  ARG  31           NH2      ARG  31  -7.814   0.152   6.266
  262    H    ARG  31           H        ARG  31 -14.133  -1.142   5.324
  263    HA   ARG  31           HA       ARG  31 -11.577  -0.523   5.091
  264   1HB   ARG  31          2HB       ARG  31 -13.472  -0.779   7.379
  265   2HB   ARG  31          1HB       ARG  31 -11.795  -0.743   7.898
  266   1HG   ARG  31          2HG       ARG  31 -12.698   1.289   5.847
  267   2HG   ARG  31          1HG       ARG  31 -13.193   1.468   7.526
  268   1HD   ARG  31          2HD       ARG  31 -10.987   2.634   6.826
  269   2HD   ARG  31          1HD       ARG  31 -10.967   1.677   8.322
  270    HE   ARG  31           HE       ARG  31 -10.191  -0.125   6.376
  271   1HH1  ARG  31          1HH1      ARG  31  -8.882   2.926   7.546
  272   2HH1  ARG  31          2HH1      ARG  31  -7.229   2.470   7.213
  273   1HH2  ARG  31          2HH2      ARG  31  -8.192  -0.729   5.936
  274   2HH2  ARG  31          1HH2      ARG  31  -6.818   0.331   6.199
  275    H    GLU  32           H        GLU  32 -12.601  -3.469   6.727
  276    HA   GLU  32           HA       GLU  32  -9.894  -4.240   7.520
  277   1HB   GLU  32          1HB       GLU  32 -12.584  -5.676   7.697
  278   2HB   GLU  32          2HB       GLU  32 -11.074  -6.176   8.464
  279   1HG   GLU  32          2HG       GLU  32 -10.985  -4.018   9.705
  280   2HG   GLU  32          1HG       GLU  32 -12.553  -3.564   9.024
  281    OH   TYR  33           OH       TYR  33  -8.544  -7.644  -2.227
  282    H    TYR  33           H        TYR  33  -9.849  -3.905   4.810
  283    HA   TYR  33           HA       TYR  33  -8.984  -6.570   3.971
  284   1HB   TYR  33          1HB       TYR  33 -11.294  -6.774   3.323
  285   2HB   TYR  33          2HB       TYR  33 -11.291  -5.162   2.607
  286    HD1  TYR  33           HD1      TYR  33  -9.118  -8.252   2.252
  287    HD2  TYR  33           HD2      TYR  33 -11.335  -5.118   0.297
  288    HE1  TYR  33           HE1      TYR  33  -8.100  -8.879   0.091
  289    HE2  TYR  33           HE2      TYR  33 -10.380  -5.812  -1.886
  290    HH   TYR  33           HH       TYR  33  -7.950  -8.397  -2.165
  291    H    ILE  34           H        ILE  34  -6.941  -5.889   3.605
  292    HA   ILE  34           HA       ILE  34  -6.368  -3.452   2.061
  293    HB   ILE  34           HB       ILE  34  -4.467  -5.665   2.943
  294   1HG1  ILE  34          1HG1      ILE  34  -5.418  -4.858   4.983
  295   2HG1  ILE  34          2HG1      ILE  34  -3.817  -4.154   4.799
  296   1HG2  ILE  34          3HG2      ILE  34  -4.049  -2.780   2.024
  297   2HG2  ILE  34          2HG2      ILE  34  -2.787  -3.832   2.691
  298   3HG2  ILE  34          1HG2      ILE  34  -3.575  -4.256   1.167
  299   1HD1  ILE  34          3HD1      ILE  34  -4.913  -2.010   4.002
  300   2HD1  ILE  34          1HD1      ILE  34  -6.489  -2.761   4.372
  301   3HD1  ILE  34          2HD1      ILE  34  -5.317  -2.477   5.661
  302    H    SER  35           H        SER  35  -6.331  -3.504  -0.126
  303    HA   SER  35           HA       SER  35  -6.575  -6.125  -1.526
  304   1HB   SER  35          2HB       SER  35  -8.355  -4.249  -1.647
  305   2HB   SER  35          1HB       SER  35  -7.185  -3.392  -2.668
  306    HG   SER  35           HG       SER  35  -8.165  -6.047  -3.114
  307    H    GLU  36           H        GLU  36  -4.520  -3.203  -1.250
  308    HA   GLU  36           HA       GLU  36  -2.469  -4.555  -2.816
  309   1HB   GLU  36          2HB       GLU  36  -3.778  -3.592  -4.652
  310   2HB   GLU  36          1HB       GLU  36  -3.906  -2.050  -3.828
  311   1HG   GLU  36          1HG       GLU  36  -1.416  -1.724  -4.138
  312   2HG   GLU  36          2HG       GLU  36  -1.401  -3.216  -5.096
  313    NH1  ARG  37           NH1      ARG  37   1.177  -5.339   4.187
  314    NH2  ARG  37           NH2      ARG  37   2.799  -6.182   2.840
  315    H    ARG  37           H        ARG  37  -0.426  -3.238  -2.783
  316    HA   ARG  37           HA       ARG  37  -0.359  -1.043  -0.811
  317   1HB   ARG  37          1HB       ARG  37   0.967  -3.753  -0.560
  318   2HB   ARG  37          2HB       ARG  37   1.876  -2.305  -0.096
  319   1HG   ARG  37          1HG       ARG  37   0.817  -1.940   1.745
  320   2HG   ARG  37          2HG       ARG  37  -0.747  -2.168   1.046
  321   1HD   ARG  37          1HD       ARG  37  -0.404  -3.782   2.836
  322   2HD   ARG  37          2HD       ARG  37  -0.745  -4.540   1.277
  323    HE   ARG  37           HE       ARG  37   1.753  -4.833   1.041
  324   1HH1  ARG  37          2HH1      ARG  37   0.336  -4.822   4.376
  325   2HH1  ARG  37          1HH1      ARG  37   1.702  -5.798   4.940
  326   1HH2  ARG  37          2HH2      ARG  37   3.292  -6.287   1.971
  327   2HH2  ARG  37          1HH2      ARG  37   3.231  -6.507   3.708
  328    H    GLY  38           H        GLY  38   1.623   0.232  -0.983
  329   1HA   GLY  38          2HA       GLY  38   3.439  -0.280  -3.148
  330   2HA   GLY  38          1HA       GLY  38   2.136   0.710  -3.774
  331    H    CYS  39           H        CYS  39   3.988   2.010  -4.255
  332    HA   CYS  39           HA       CYS  39   5.544   3.346  -2.170
  333   1HB   CYS  39          2HB       CYS  39   6.672   2.471  -4.080
  334   2HB   CYS  39          1HB       CYS  39   5.556   3.255  -5.208
  335    H    GLY  40           H        GLY  40   5.704   5.561  -1.891
  336   1HA   GLY  40          2HA       GLY  40   4.509   7.378  -1.214
  337   2HA   GLY  40          1HA       GLY  40   5.163   7.872  -2.727
  338    H    CYS  41           H        CYS  41   2.541   6.665  -0.890
  339    HA   CYS  41           HA       CYS  41   0.252   6.190  -1.778
  340   1HB   CYS  41          1HB       CYS  41   0.874   7.038   0.474
  341   2HB   CYS  41          2HB       CYS  41   0.700   8.677  -0.125
  342    HA   PRO  42           HA       PRO  42  -0.915   9.341  -4.837
  343   1HB   PRO  42          1HB       PRO  42  -1.902   7.733  -6.785
  344   2HB   PRO  42          2HB       PRO  42  -0.154   7.994  -6.562
  345   1HG   PRO  42          2HG       PRO  42  -1.858   5.670  -5.606
  346   2HG   PRO  42          1HG       PRO  42  -0.261   5.587  -6.403
  347   1HD   PRO  42          2HD       PRO  42  -0.700   5.468  -3.661
  348   2HD   PRO  42          1HD       PRO  42   0.843   6.037  -4.382
  349    H    THR  43           H        THR  43  -3.127   9.754  -5.688
  350    HA   THR  43           HA       THR  43  -5.122   9.366  -3.720
  351    HB   THR  43           HB       THR  43  -5.764  10.079  -6.585
  352    HG1  THR  43           HG1      THR  43  -4.824  12.150  -6.188
  353   1HG2  THR  43          2HG2      THR  43  -7.519  10.298  -4.829
  354   2HG2  THR  43          3HG2      THR  43  -6.454  11.381  -3.905
  355   3HG2  THR  43          1HG2      THR  43  -7.075  11.879  -5.492
  356    H    ALA  44           H        ALA  44  -7.173   8.216  -3.945
  357    HA   ALA  44           HA       ALA  44  -7.462   6.182  -6.036
  358   1HB   ALA  44          3HB       ALA  44  -7.219   5.552  -3.068
  359   2HB   ALA  44          1HB       ALA  44  -7.863   4.417  -4.280
  360   3HB   ALA  44          2HB       ALA  44  -6.172   4.958  -4.366
  361    H    MET  45           H        MET  45  -9.731   5.430  -6.100
  362    HA   MET  45           HA       MET  45 -11.653   7.105  -4.614
  363   1HB   MET  45          1HB       MET  45 -11.376   6.541  -7.605
  364   2HB   MET  45          2HB       MET  45 -12.853   7.120  -6.843
  365   1HG   MET  45          2HG       MET  45 -11.626   9.115  -5.983
  366   2HG   MET  45          1HG       MET  45 -10.168   8.554  -6.816
  367   1HE   MET  45          2HE       MET  45 -11.331  11.468  -7.100
  368   2HE   MET  45          1HE       MET  45  -9.872  10.885  -7.943
  369   3HE   MET  45          3HE       MET  45 -11.158  11.712  -8.854
  370    CH2  TRP  46           CH2      TRP  46 -20.639   2.357  -4.601
  371    H    TRP  46           H        TRP  46 -13.785   6.186  -4.681
  372    HA   TRP  46           HA       TRP  46 -13.978   3.645  -3.702
  373   1HB   TRP  46          1HB       TRP  46 -15.701   5.561  -3.702
  374   2HB   TRP  46          2HB       TRP  46 -16.136   5.024  -5.306
  375    HD1  TRP  46           HD1      TRP  46 -15.607   3.008  -2.013
  376    HE1  TRP  46           HE1      TRP  46 -17.660   1.492  -1.646
  377    HE3  TRP  46           HE3      TRP  46 -18.415   4.655  -5.854
  378    HZ2  TRP  46           HZ2      TRP  46 -20.254   1.116  -2.870
  379    HZ3  TRP  46           HZ3      TRP  46 -20.727   3.728  -6.267
  380    HH2  TRP  46           HH2      TRP  46 -21.629   1.959  -4.773
  381    HA   PRO  47           HA       PRO  47 -15.172   1.383  -3.854
  382   1HB   PRO  47          2HB       PRO  47 -14.053  -1.036  -4.072
  383   2HB   PRO  47          1HB       PRO  47 -15.480  -0.544  -5.019
  384   1HG   PRO  47          1HG       PRO  47 -12.585  -0.452  -5.935
  385   2HG   PRO  47          2HG       PRO  47 -13.967  -1.231  -6.766
  386   1HD   PRO  47          1HD       PRO  47 -13.194   1.291  -7.419
  387   2HD   PRO  47          2HD       PRO  47 -14.930   0.891  -7.318
  388    OH   TYR  48           OH       TYR  48  -8.511  -3.821  -5.797
  389    H    TYR  48           H        TYR  48 -11.891   2.150  -4.859
  390    HA   TYR  48           HA       TYR  48 -10.764   1.026  -2.358
  391   1HB   TYR  48          1HB       TYR  48  -9.517   2.180  -4.881
  392   2HB   TYR  48          2HB       TYR  48  -8.586   1.707  -3.459
  393    HD1  TYR  48           HD1      TYR  48  -9.750  -0.865  -2.623
  394    HD2  TYR  48           HD2      TYR  48  -8.871   0.648  -6.571
  395    HE1  TYR  48           HE1      TYR  48  -9.557  -3.158  -3.468
  396    HE2  TYR  48           HE2      TYR  48  -8.401  -1.668  -7.326
  397    HH   TYR  48           HH       TYR  48  -8.366  -4.399  -5.033
  398    H    GLN  49           H        GLN  49  -9.239   2.117  -1.142
  399    HA   GLN  49           HA       GLN  49  -8.817   4.893  -1.672
  400   1HB   GLN  49          2HB       GLN  49 -10.849   4.821  -0.048
  401   2HB   GLN  49          1HB       GLN  49  -9.690   4.161   1.136
  402   1HG   GLN  49          1HG       GLN  49 -10.138   6.688   1.256
  403   2HG   GLN  49          2HG       GLN  49  -8.455   6.157   1.248
  404   1HE2  GLN  49          1HE2      GLN  49  -9.885   7.841  -2.251
  405   2HE2  GLN  49          2HE2      GLN  49 -11.036   7.125  -1.128
  406    H    THR  50           H        THR  50  -6.929   5.632  -0.681
  407    HA   THR  50           HA       THR  50  -5.027   3.494   0.167
  408    HB   THR  50           HB       THR  50  -3.423   5.501  -0.565
  409    HG1  THR  50           HG1      THR  50  -4.297   6.615  -2.328
  410   1HG2  THR  50          2HG2      THR  50  -3.449   3.232  -1.493
  411   2HG2  THR  50          3HG2      THR  50  -4.814   3.660  -2.543
  412   3HG2  THR  50          1HG2      THR  50  -3.228   4.445  -2.766
  413    H    GLU  51           H        GLU  51  -4.309   3.515   2.197
  414    HA   GLU  51           HA       GLU  51  -4.413   6.105   3.705
  415   1HB   GLU  51          1HB       GLU  51  -4.159   4.884   5.760
  416   2HB   GLU  51          2HB       GLU  51  -5.678   4.542   4.931
  417   1HG   GLU  51          2HG       GLU  51  -4.567   2.509   3.975
  418   2HG   GLU  51          1HG       GLU  51  -3.208   2.788   5.094
  419    H    CYS  52           H        CYS  52  -2.518   7.075   3.731
  420    HA   CYS  52           HA       CYS  52  -0.236   5.869   2.464
  421   1HB   CYS  52          2HB       CYS  52  -0.399   8.472   3.966
  422   2HB   CYS  52          1HB       CYS  52   0.708   8.074   2.657
  423    H    CYS  53           H        CYS  53   1.980   6.062   3.429
  424    HA   CYS  53           HA       CYS  53   2.287   6.362   6.296
  425   1HB   CYS  53          1HB       CYS  53   3.074   4.161   6.792
  426   2HB   CYS  53          2HB       CYS  53   1.496   3.945   6.019
  427    H    LYS  54           H        LYS  54   4.774   5.590   6.754
  428    HA   LYS  54           HA       LYS  54   6.587   6.027   4.549
  429   1HB   LYS  54          2HB       LYS  54   7.754   7.625   6.158
  430   2HB   LYS  54          1HB       LYS  54   6.400   8.298   5.234
  431   1HG   LYS  54          1HG       LYS  54   4.947   8.128   7.209
  432   2HG   LYS  54          2HG       LYS  54   6.236   7.299   8.115
  433   1HD   LYS  54          1HD       LYS  54   7.653   9.329   7.960
  434   2HD   LYS  54          2HD       LYS  54   6.423  10.124   6.964
  435   1HE   LYS  54          2HE       LYS  54   6.274  10.930   9.262
  436   2HE   LYS  54          1HE       LYS  54   4.808  10.029   8.845
  437   1HZ   LYS  54          3HZ       LYS  54   7.087   8.975  10.376
  438   2HZ   LYS  54          1HZ       LYS  54   5.647   9.466  11.008
  439   3HZ   LYS  54          2HZ       LYS  54   5.704   8.152  10.018
  440    H    GLY  55           H        GLY  55   8.789   5.472   5.403
  441   1HA   GLY  55          2HA       GLY  55  10.211   4.460   6.945
  442   2HA   GLY  55          1HA       GLY  55   8.890   3.798   7.890
  443    H    ASP  56           H        ASP  56  11.244   2.520   6.758
  444    HA   ASP  56           HA       ASP  56  10.586   1.064   4.406
  445   1HB   ASP  56          1HB       ASP  56  12.493   0.458   6.553
  446   2HB   ASP  56          2HB       ASP  56  12.418  -0.434   5.073
  447    NH1  ARG  57           NH2      ARG  57  11.661  -6.767   9.051
  448    NH2  ARG  57           NH1      ARG  57  12.413  -5.293  10.673
  449    H    ARG  57           H        ARG  57   9.992  -0.886   4.184
  450    HA   ARG  57           HA       ARG  57   8.158  -2.327   4.282
  451   1HB   ARG  57          1HB       ARG  57   8.505  -4.160   5.875
  452   2HB   ARG  57          2HB       ARG  57   9.981  -3.719   5.015
  453   1HG   ARG  57          2HG       ARG  57  10.869  -2.594   6.988
  454   2HG   ARG  57          1HG       ARG  57   9.337  -2.823   7.861
  455   1HD   ARG  57          1HD       ARG  57   9.620  -5.263   7.743
  456   2HD   ARG  57          2HD       ARG  57  11.140  -5.053   6.834
  457    HE   ARG  57           HE       ARG  57  11.311  -3.563   9.239
  458   1HH1  ARG  57          2HH2      ARG  57  11.168  -6.925   8.185
  459   2HH1  ARG  57          1HH2      ARG  57  12.064  -7.549   9.544
  460   1HH2  ARG  57          1HH1      ARG  57  12.489  -4.350  11.027
  461   2HH2  ARG  57          2HH1      ARG  57  12.829  -6.051  11.194
  462    H    CYS  58           H        CYS  58   7.438   0.306   5.524
  463    HA   CYS  58           HA       CYS  58   5.977   0.121   7.822
  464   1HB   CYS  58          1HB       CYS  58   5.277   2.119   7.108
  465   2HB   CYS  58          2HB       CYS  58   5.839   1.747   5.477
  466    H    ASN  59           H        ASN  59   5.020  -1.048   4.637
  467    HA   ASN  59           HA       ASN  59   2.581  -2.412   5.640
  468   1HB   ASN  59          2HB       ASN  59   2.289  -2.808   3.154
  469   2HB   ASN  59          1HB       ASN  59   2.070  -1.168   3.762
  470   1HD2  ASN  59          1HD2      ASN  59   3.932  -0.043   1.014
  471   2HD2  ASN  59          2HD2      ASN  59   2.362  -0.170   1.659
  472    H    LYS  60           H        LYS  60   4.169  -3.595   6.926
  473    HA   LYS  60           HA       LYS  60   6.053  -5.380   5.913
  474   1HB   LYS  60          2HB       LYS  60   6.112  -6.329   8.052
  475   2HB   LYS  60          1HB       LYS  60   5.717  -4.631   8.303
  476   1HG   LYS  60          1HG       LYS  60   3.822  -7.019   8.429
  477   2HG   LYS  60          2HG       LYS  60   4.453  -6.091   9.793
  478   1HD   LYS  60          2HD       LYS  60   3.265  -4.047   8.899
  479   2HD   LYS  60          1HD       LYS  60   2.511  -5.085   7.666
  480   1HE   LYS  60          2HE       LYS  60   2.221  -5.435  10.683
  481   2HE   LYS  60          1HE       LYS  60   1.021  -4.714   9.599
  482   1HZ   LYS  60          1HZ       LYS  60   0.916  -6.802   8.428
  483   2HZ   LYS  60          2HZ       LYS  60   1.990  -7.481   9.475
  484   3HZ   LYS  60          3HZ       LYS  60   0.517  -6.984  10.018
   
  Start of MODEL          16
 Raw file had  484 H/Q atoms
  Start of MODEL   16
    1    NH1  ARG   1           NH2      ARG   1  14.503   4.570   4.874
    2    NH2  ARG   1           NH1      ARG   1  13.702   6.744   4.825
    3   1H    ARG   1          1H        ARG   1  12.336   4.226  -1.193
    4   2H    ARG   1          2H        ARG   1  10.991   4.985  -0.675
    5   3H    ARG   1          3H        ARG   1  12.436   5.486  -0.118
    6    HA   ARG   1           HA       ARG   1  12.730   3.571   1.163
    7   1HB   ARG   1          1HB       ARG   1  10.938   5.258   1.893
    8   2HB   ARG   1          2HB       ARG   1   9.722   4.157   1.260
    9   1HG   ARG   1          2HG       ARG   1   9.900   4.017   3.663
   10   2HG   ARG   1          1HG       ARG   1  10.367   2.481   2.960
   11   1HD   ARG   1          1HD       ARG   1  11.891   3.178   4.816
   12   2HD   ARG   1          2HD       ARG   1  12.784   3.077   3.312
   13    HE   ARG   1           HE       ARG   1  11.659   5.728   3.894
   14   1HH1  ARG   1          1HH2      ARG   1  14.354   3.584   4.727
   15   2HH1  ARG   1          2HH2      ARG   1  15.371   4.882   5.283
   16   1HH2  ARG   1          1HH1      ARG   1  12.928   7.381   4.654
   17   2HH2  ARG   1          2HH1      ARG   1  14.555   7.099   5.230
   18    H    ILE   2           H        ILE   2  11.814   1.377   1.849
   19    HA   ILE   2           HA       ILE   2  11.212  -0.261  -0.512
   20    HB   ILE   2           HB       ILE   2  11.577  -0.876   2.463
   21   1HG1  ILE   2          2HG1      ILE   2  13.642  -0.183   1.140
   22   2HG1  ILE   2          1HG1      ILE   2  13.707  -1.739   1.968
   23   1HG2  ILE   2          2HG2      ILE   2  11.069  -2.766   0.119
   24   2HG2  ILE   2          3HG2      ILE   2  11.668  -3.281   1.715
   25   3HG2  ILE   2          1HG2      ILE   2  10.071  -2.550   1.559
   26   1HD1  ILE   2          3HD1      ILE   2  13.005  -1.486  -0.975
   27   2HD1  ILE   2          2HD1      ILE   2  14.648  -1.754  -0.363
   28   3HD1  ILE   2          1HD1      ILE   2  13.390  -2.966  -0.080
   29    H    CYS   3           H        CYS   3   9.092  -0.815  -1.062
   30    HA   CYS   3           HA       CYS   3   6.987  -0.563   1.046
   31   1HB   CYS   3          2HB       CYS   3   6.731   0.464  -1.787
   32   2HB   CYS   3          1HB       CYS   3   5.477   0.464  -0.556
   33    OH   TYR   4           OH       TYR   4   7.441  -7.712   4.113
   34    H    TYR   4           H        TYR   4   5.260  -1.972   0.772
   35    HA   TYR   4           HA       TYR   4   5.795  -4.322  -0.947
   36   1HB   TYR   4          2HB       TYR   4   3.794  -3.645   1.232
   37   2HB   TYR   4          1HB       TYR   4   3.665  -5.075   0.229
   38    HD1  TYR   4           HD2      TYR   4   7.179  -4.466   0.948
   39    HD2  TYR   4           HD1      TYR   4   3.506  -5.996   2.603
   40    HE1  TYR   4           HE2      TYR   4   8.463  -6.013   2.367
   41    HE2  TYR   4           HE1      TYR   4   4.815  -7.466   4.123
   42    HH   TYR   4           HH       TYR   4   6.862  -8.286   4.622
   43    H    SER   5           H        SER   5   4.246  -4.978  -2.539
   44    HA   SER   5           HA       SER   5   2.303  -2.865  -3.405
   45   1HB   SER   5          1HB       SER   5   4.032  -4.674  -5.128
   46   2HB   SER   5          2HB       SER   5   2.807  -3.507  -5.689
   47    HG   SER   5           HG       SER   5   4.139  -2.005  -4.254
   48    H    HIS   6           H        HIS   6   2.994  -6.404  -3.347
   49    HA   HIS   6           HA       HIS   6   0.427  -7.246  -4.239
   50   1HB   HIS   6          1HB       HIS   6   0.913  -9.303  -2.760
   51   2HB   HIS   6          2HB       HIS   6   1.995  -8.980  -4.086
   52    HD1  HIS   6           HD1      HIS   6   2.357  -7.012  -0.860
   53    HD2  HIS   6           HD2      HIS   6   3.989 -10.425  -2.623
   54    HE1  HIS   6           HE1      HIS   6   4.515  -7.565   0.392
   55    H    LYS   7           H        LYS   7  -1.590  -7.245  -3.285
   56    HA   LYS   7           HA       LYS   7  -2.070  -6.000  -0.814
   57   1HB   LYS   7          2HB       LYS   7  -4.159  -6.139  -1.432
   58   2HB   LYS   7          1HB       LYS   7  -3.635  -6.918  -2.920
   59   1HG   LYS   7          2HG       LYS   7  -4.589  -8.326  -0.393
   60   2HG   LYS   7          1HG       LYS   7  -5.582  -7.935  -1.784
   61   1HD   LYS   7          2HD       LYS   7  -4.593  -9.477  -3.216
   62   2HD   LYS   7          1HD       LYS   7  -3.125  -9.624  -2.264
   63   1HE   LYS   7          2HE       LYS   7  -4.420 -11.618  -1.866
   64   2HE   LYS   7          1HE       LYS   7  -4.463 -10.649  -0.387
   65   1HZ   LYS   7          2HZ       LYS   7  -6.625  -9.823  -1.096
   66   2HZ   LYS   7          1HZ       LYS   7  -6.575 -10.773  -2.433
   67   3HZ   LYS   7          3HZ       LYS   7  -6.625 -11.464  -0.939
   68    H    ALA   8           H        ALA   8  -1.124  -9.298  -1.435
   69    HA   ALA   8           HA       ALA   8  -1.703 -10.180   1.350
   70   1HB   ALA   8          3HB       ALA   8  -0.710 -11.688  -1.112
   71   2HB   ALA   8          1HB       ALA   8  -0.981 -12.391   0.496
   72   3HB   ALA   8          2HB       ALA   8  -2.349 -11.749  -0.430
   73    H    SER   9           H        SER   9  -0.039  -9.733   2.788
   74    HA   SER   9           HA       SER   9   2.546  -8.932   1.800
   75   1HB   SER   9          2HB       SER   9   2.468  -9.240   4.677
   76   2HB   SER   9          1HB       SER   9   2.532  -7.785   3.692
   77    HG   SER   9           HG       SER   9   0.734  -7.719   4.913
   78    H    LEU  10           H        LEU  10   2.739 -11.020   0.632
   79    HA   LEU  10           HA       LEU  10   4.355 -12.987   2.218
   80   1HB   LEU  10          2HB       LEU  10   2.162 -13.808   1.304
   81   2HB   LEU  10          1HB       LEU  10   2.776 -13.543  -0.325
   82    HG   LEU  10           HG       LEU  10   3.985 -15.377   1.809
   83   1HD1  LEU  10          2HD2      LEU  10   1.807 -16.154   0.939
   84   2HD1  LEU  10          3HD2      LEU  10   2.420 -16.027  -0.724
   85   3HD1  LEU  10          1HD2      LEU  10   3.126 -17.206   0.401
   86   1HD2  LEU  10          3HD1      LEU  10   4.779 -14.965  -1.110
   87   2HD2  LEU  10          1HD1      LEU  10   5.796 -14.696   0.327
   88   3HD2  LEU  10          2HD1      LEU  10   5.309 -16.331  -0.109
   89    HA   PRO  11           HA       PRO  11   7.064 -10.045  -0.010
   90   1HB   PRO  11          2HB       PRO  11   8.942 -12.245   0.879
   91   2HB   PRO  11          1HB       PRO  11   9.248 -10.484   0.670
   92   1HG   PRO  11          1HG       PRO  11   8.550 -11.444   3.137
   93   2HG   PRO  11          2HG       PRO  11   7.767  -9.961   2.511
   94   1HD   PRO  11          1HD       PRO  11   6.676 -12.772   2.570
   95   2HD   PRO  11          2HD       PRO  11   5.835 -11.223   2.876
   96    NH1  ARG  12           NH2      ARG  12   3.818 -11.266  -7.552
   97    NH2  ARG  12           NH1      ARG  12   2.112 -11.314  -5.987
   98    H    ARG  12           H        ARG  12   6.963  -9.909  -2.021
   99    HA   ARG  12           HA       ARG  12   8.395 -11.471  -3.938
  100   1HB   ARG  12          2HB       ARG  12   6.550 -13.058  -3.681
  101   2HB   ARG  12          1HB       ARG  12   5.364 -11.778  -3.874
  102   1HG   ARG  12          2HG       ARG  12   6.274 -11.432  -6.248
  103   2HG   ARG  12          1HG       ARG  12   7.329 -12.824  -5.965
  104   1HD   ARG  12          1HD       ARG  12   5.285 -13.535  -7.161
  105   2HD   ARG  12          2HD       ARG  12   5.349 -14.247  -5.553
  106    HE   ARG  12           HE       ARG  12   3.477 -13.111  -4.925
  107   1HH1  ARG  12          1HH2      ARG  12   4.706 -11.617  -7.877
  108   2HH1  ARG  12          2HH2      ARG  12   3.343 -10.550  -8.081
  109   1HH2  ARG  12          1HH1      ARG  12   1.709 -11.705  -5.148
  110   2HH2  ARG  12          2HH1      ARG  12   1.611 -10.595  -6.487
  111    H    ALA  13           H        ALA  13   5.266  -9.814  -4.282
  112    HA   ALA  13           HA       ALA  13   6.466  -7.772  -6.016
  113   1HB   ALA  13          3HB       ALA  13   4.215  -8.704  -6.472
  114   2HB   ALA  13          2HB       ALA  13   3.635  -7.964  -4.966
  115   3HB   ALA  13          1HB       ALA  13   4.217  -6.940  -6.285
  116    H    THR  14           H        THR  14   7.982  -7.183  -4.357
  117    HA   THR  14           HA       THR  14   7.052  -4.936  -2.639
  118    HB   THR  14           HB       THR  14   8.949  -5.595  -1.124
  119    HG1  THR  14           HG1      THR  14   9.873  -6.915  -3.009
  120   1HG2  THR  14          2HG2      THR  14   6.593  -6.469  -0.713
  121   2HG2  THR  14          1HG2      THR  14   7.050  -7.937  -1.578
  122   3HG2  THR  14          3HG2      THR  14   7.879  -7.518  -0.070
  123    H    LYS  15           H        LYS  15   8.305  -3.024  -3.024
  124    HA   LYS  15           HA       LYS  15  10.654  -3.338  -4.854
  125   1HB   LYS  15          2HB       LYS  15   9.751  -1.454  -6.222
  126   2HB   LYS  15          1HB       LYS  15   8.837  -2.964  -6.329
  127   1HG   LYS  15          1HG       LYS  15   7.107  -2.071  -4.802
  128   2HG   LYS  15          2HG       LYS  15   8.059  -0.611  -4.544
  129   1HD   LYS  15          1HD       LYS  15   6.209  -0.248  -6.125
  130   2HD   LYS  15          2HD       LYS  15   7.784   0.071  -6.864
  131   1HE   LYS  15          1HE       LYS  15   6.165  -1.156  -8.341
  132   2HE   LYS  15          2HE       LYS  15   7.713  -1.982  -8.133
  133   1HZ   LYS  15          3HZ       LYS  15   5.286  -2.611  -6.595
  134   2HZ   LYS  15          1HZ       LYS  15   5.792  -3.436  -7.937
  135   3HZ   LYS  15          2HZ       LYS  15   6.708  -3.426  -6.568
  136    H    THR  16           H        THR  16  11.980  -1.548  -5.054
  137    HA   THR  16           HA       THR  16  12.279   0.045  -2.561
  138    HB   THR  16           HB       THR  16  14.271  -0.479  -4.813
  139    HG1  THR  16           HG1      THR  16  13.634  -2.380  -3.635
  140   1HG2  THR  16          1HG2      THR  16  14.614   0.557  -1.956
  141   2HG2  THR  16          2HG2      THR  16  15.922   0.230  -3.109
  142   3HG2  THR  16          3HG2      THR  16  14.766   1.534  -3.436
  143    H    CYS  17           H        CYS  17  10.928   1.807  -2.903
  144    HA   CYS  17           HA       CYS  17  10.983   3.186  -5.563
  145   1HB   CYS  17          1HB       CYS  17   9.185   3.309  -3.127
  146   2HB   CYS  17          2HB       CYS  17   9.139   4.544  -4.394
  147    H    VAL  18           H        VAL  18  11.111   5.639  -5.422
  148    HA   VAL  18           HA       VAL  18  13.367   6.415  -3.783
  149    HB   VAL  18           HB       VAL  18  13.068   8.572  -4.862
  150   1HG1  VAL  18          1HG2      VAL  18  14.352   6.744  -5.935
  151   2HG1  VAL  18          2HG2      VAL  18  12.901   6.267  -6.844
  152   3HG1  VAL  18          3HG2      VAL  18  13.643   7.854  -7.118
  153   1HG2  VAL  18          1HG1      VAL  18  10.592   7.426  -6.220
  154   2HG2  VAL  18          3HG1      VAL  18  10.703   8.881  -5.197
  155   3HG2  VAL  18          2HG1      VAL  18  11.485   8.849  -6.769
  156    H    GLU  19           H        GLU  19   9.915   7.353  -3.918
  157    HA   GLU  19           HA       GLU  19   9.745   9.216  -1.952
  158   1HB   GLU  19          2HB       GLU  19   7.812   6.967  -2.636
  159   2HB   GLU  19          1HB       GLU  19   7.378   8.227  -1.488
  160   1HG   GLU  19          1HG       GLU  19   8.426   8.992  -4.205
  161   2HG   GLU  19          2HG       GLU  19   6.726   8.603  -3.967
  162    H    ASN  20           H        ASN  20   9.499   9.401   0.158
  163    HA   ASN  20           HA       ASN  20  10.629   7.358   1.861
  164   1HB   ASN  20          1HB       ASN  20  10.955   9.772   2.266
  165   2HB   ASN  20          2HB       ASN  20   9.220   9.948   2.589
  166   1HD2  ASN  20          2HD2      ASN  20   9.682   9.020   5.978
  167   2HD2  ASN  20          1HD2      ASN  20   8.748   9.917   4.798
  168    H    THR  21           H        THR  21   7.377   8.108   0.696
  169    HA   THR  21           HA       THR  21   6.122   6.752   3.016
  170    HB   THR  21           HB       THR  21   4.075   7.852   1.864
  171    HG1  THR  21           HG1      THR  21   4.762   9.723   0.635
  172   1HG2  THR  21          3HG2      THR  21   6.261   9.584   3.109
  173   2HG2  THR  21          2HG2      THR  21   4.546  10.027   2.962
  174   3HG2  THR  21          1HG2      THR  21   5.018   8.661   3.986
  175    H    CYS  22           H        CYS  22   4.554   5.212   2.689
  176    HA   CYS  22           HA       CYS  22   4.344   3.926   0.026
  177   1HB   CYS  22          1HB       CYS  22   4.234   2.394   2.625
  178   2HB   CYS  22          2HB       CYS  22   4.312   1.789   0.984
  179    OH   TYR  23           OH       TYR  23  -0.750   2.656  -5.534
  180    H    TYR  23           H        TYR  23   2.263   2.586   0.045
  181    HA   TYR  23           HA       TYR  23   0.246   3.588   1.979
  182   1HB   TYR  23          1HB       TYR  23  -1.341   4.144   0.280
  183   2HB   TYR  23          2HB       TYR  23   0.145   5.019   0.013
  184    HD1  TYR  23           HD2      TYR  23  -1.968   2.183  -1.188
  185    HD2  TYR  23           HD1      TYR  23   1.411   4.692  -2.100
  186    HE1  TYR  23           HE2      TYR  23  -2.199   1.617  -3.571
  187    HE2  TYR  23           HE1      TYR  23   1.050   4.268  -4.521
  188    HH   TYR  23           HH       TYR  23  -1.429   2.002  -5.712
  189    H    LYS  24           H        LYS  24  -1.684   2.495   1.795
  190    HA   LYS  24           HA       LYS  24  -1.734  -0.044   0.348
  191   1HB   LYS  24          1HB       LYS  24  -2.544  -1.374   2.233
  192   2HB   LYS  24          2HB       LYS  24  -0.936  -0.699   2.568
  193   1HG   LYS  24          2HG       LYS  24  -1.897   0.989   4.050
  194   2HG   LYS  24          1HG       LYS  24  -3.527   0.396   3.660
  195   1HD   LYS  24          2HD       LYS  24  -2.821  -0.489   5.815
  196   2HD   LYS  24          1HD       LYS  24  -3.064  -1.781   4.637
  197   1HE   LYS  24          2HE       LYS  24  -0.608  -1.985   4.323
  198   2HE   LYS  24          1HE       LYS  24  -0.359  -0.655   5.478
  199   1HZ   LYS  24          1HZ       LYS  24  -1.685  -3.208   6.072
  200   2HZ   LYS  24          3HZ       LYS  24  -0.116  -2.897   6.413
  201   3HZ   LYS  24          2HZ       LYS  24  -1.306  -2.029   7.157
  202    H    MET  25           H        MET  25  -3.520  -0.395  -0.657
  203    HA   MET  25           HA       MET  25  -5.707   1.581  -0.407
  204   1HB   MET  25          2HB       MET  25  -4.457   1.545  -2.555
  205   2HB   MET  25          1HB       MET  25  -4.946  -0.141  -2.699
  206   1HG   MET  25          1HG       MET  25  -7.336   0.529  -2.725
  207   2HG   MET  25          2HG       MET  25  -6.865   2.207  -2.464
  208   1HE   MET  25          2HE       MET  25  -7.415  -0.672  -4.948
  209   2HE   MET  25          1HE       MET  25  -6.510  -0.161  -6.389
  210   3HE   MET  25          3HE       MET  25  -5.632  -0.676  -4.931
  211    H    PHE  26           H        PHE  26  -7.680   0.858   0.124
  212    HA   PHE  26           HA       PHE  26  -8.348  -2.038   0.108
  213   1HB   PHE  26          1HB       PHE  26  -9.572  -1.444   2.330
  214   2HB   PHE  26          2HB       PHE  26  -7.832  -1.676   2.384
  215    HD1  PHE  26           HD1      PHE  26  -6.276   0.175   2.670
  216    HD2  PHE  26           HD2      PHE  26 -10.533   0.866   2.601
  217    HE1  PHE  26           HE1      PHE  26  -5.919   2.530   3.206
  218    HE2  PHE  26           HE2      PHE  26 -10.164   3.188   3.366
  219    HZ   PHE  26           HZ       PHE  26  -7.822   4.035   3.687
  220    H    ILE  27           H        ILE  27 -10.793  -2.236   0.448
  221    HA   ILE  27           HA       ILE  27 -12.087  -0.444  -1.475
  222    HB   ILE  27           HB       ILE  27 -13.167  -2.696   0.255
  223   1HG1  ILE  27          2HG1      ILE  27 -12.512  -2.590  -2.730
  224   2HG1  ILE  27          1HG1      ILE  27 -11.528  -3.378  -1.492
  225   1HG2  ILE  27          1HG2      ILE  27 -14.927  -1.004  -0.414
  226   2HG2  ILE  27          2HG2      ILE  27 -14.496  -1.275  -2.109
  227   3HG2  ILE  27          3HG2      ILE  27 -15.204  -2.578  -1.136
  228   1HD1  ILE  27          3HD1      ILE  27 -13.477  -4.868  -0.944
  229   2HD1  ILE  27          2HD1      ILE  27 -14.310  -4.204  -2.374
  230   3HD1  ILE  27          1HD1      ILE  27 -12.786  -5.082  -2.567
  231    NH1  ARG  28           NH2      ARG  28 -14.715   7.996  -2.011
  232    NH2  ARG  28           NH1      ARG  28 -12.839   7.078  -3.025
  233    H    ARG  28           H        ARG  28 -13.442   1.220  -0.942
  234    HA   ARG  28           HA       ARG  28 -12.888   2.550   1.489
  235   1HB   ARG  28          1HB       ARG  28 -13.579   3.490  -0.794
  236   2HB   ARG  28          2HB       ARG  28 -15.255   3.142  -0.351
  237   1HG   ARG  28          1HG       ARG  28 -15.036   4.613   1.638
  238   2HG   ARG  28          2HG       ARG  28 -13.329   4.889   1.269
  239   1HD   ARG  28          2HD       ARG  28 -15.701   5.732  -0.440
  240   2HD   ARG  28          1HD       ARG  28 -14.674   6.786   0.550
  241    HE   ARG  28           HE       ARG  28 -13.024   5.350  -1.304
  242   1HH1  ARG  28          2HH2      ARG  28 -15.410   7.958  -1.282
  243   2HH1  ARG  28          1HH2      ARG  28 -14.732   8.754  -2.677
  244   1HH2  ARG  28          1HH1      ARG  28 -12.150   6.327  -3.054
  245   2HH2  ARG  28          2HH1      ARG  28 -12.773   7.835  -3.688
  246    H    THR  29           H        THR  29 -15.778   0.737   0.495
  247    HA   THR  29           HA       THR  29 -17.219   1.207   2.975
  248    HB   THR  29           HB       THR  29 -18.591  -0.746   2.006
  249    HG1  THR  29           HG1      THR  29 -18.054  -1.261  -0.153
  250   1HG2  THR  29          2HG2      THR  29 -19.196   1.632   1.610
  251   2HG2  THR  29          1HG2      THR  29 -18.111   1.680   0.203
  252   3HG2  THR  29          3HG2      THR  29 -19.545   0.633   0.188
  253    H    HIS  30           H        HIS  30 -15.710  -1.647   1.499
  254    HA   HIS  30           HA       HIS  30 -15.601  -3.075   4.083
  255   1HB   HIS  30          1HB       HIS  30 -14.622  -3.901   1.326
  256   2HB   HIS  30          2HB       HIS  30 -14.679  -4.922   2.761
  257    HD1  HIS  30           HD1      HIS  30 -17.170  -5.402   3.750
  258    HD2  HIS  30           HD2      HIS  30 -17.016  -3.699  -0.078
  259    HE1  HIS  30           HE1      HIS  30 -19.470  -5.665   2.708
  260    NH1  ARG  31           NH2      ARG  31  -8.299   2.209   6.940
  261    NH2  ARG  31           NH1      ARG  31  -7.857   0.195   5.866
  262    H    ARG  31           H        ARG  31 -14.359  -1.073   4.777
  263    HA   ARG  31           HA       ARG  31 -11.785  -0.434   4.256
  264   1HB   ARG  31          2HB       ARG  31 -13.605  -0.396   6.604
  265   2HB   ARG  31          1HB       ARG  31 -11.926  -0.434   7.101
  266   1HG   ARG  31          1HG       ARG  31 -12.637   1.502   4.900
  267   2HG   ARG  31          2HG       ARG  31 -13.265   1.826   6.508
  268   1HD   ARG  31          1HD       ARG  31 -10.973   2.855   5.988
  269   2HD   ARG  31          2HD       ARG  31 -11.093   1.918   7.493
  270    HE   ARG  31           HE       ARG  31 -10.250   0.184   5.393
  271   1HH1  ARG  31          2HH2      ARG  31  -8.967   2.908   7.222
  272   2HH1  ARG  31          1HH2      ARG  31  -7.313   2.351   7.136
  273   1HH2  ARG  31          1HH1      ARG  31  -8.210  -0.606   5.358
  274   2HH2  ARG  31          2HH1      ARG  31  -6.856   0.323   5.973
  275    H    GLU  32           H        GLU  32 -12.740  -3.150   6.301
  276    HA   GLU  32           HA       GLU  32  -9.991  -3.890   6.923
  277   1HB   GLU  32          2HB       GLU  32 -12.069  -4.127   8.412
  278   2HB   GLU  32          1HB       GLU  32 -12.506  -5.531   7.422
  279   1HG   GLU  32          2HG       GLU  32 -10.329  -6.600   8.056
  280   2HG   GLU  32          1HG       GLU  32  -9.908  -5.159   8.995
  281    OH   TYR  33           OH       TYR  33  -8.459  -8.645  -2.033
  282    H    TYR  33           H        TYR  33 -10.015  -3.806   4.226
  283    HA   TYR  33           HA       TYR  33  -9.236  -6.533   3.579
  284   1HB   TYR  33          1HB       TYR  33 -11.602  -6.695   2.979
  285   2HB   TYR  33          2HB       TYR  33 -11.501  -5.196   2.050
  286    HD1  TYR  33           HD2      TYR  33  -9.962  -8.627   2.255
  287    HD2  TYR  33           HD1      TYR  33 -10.898  -5.245  -0.241
  288    HE1  TYR  33           HE2      TYR  33  -8.780  -9.696   0.355
  289    HE2  TYR  33           HE1      TYR  33  -9.764  -6.330  -2.148
  290    HH   TYR  33           HH       TYR  33  -8.430  -8.091  -2.815
  291    H    ILE  34           H        ILE  34  -7.226  -6.100   2.837
  292    HA   ILE  34           HA       ILE  34  -6.622  -3.547   1.525
  293    HB   ILE  34           HB       ILE  34  -4.834  -5.978   1.939
  294   1HG1  ILE  34          1HG1      ILE  34  -5.500  -5.338   4.136
  295   2HG1  ILE  34          2HG1      ILE  34  -3.900  -4.662   3.861
  296   1HG2  ILE  34          3HG2      ILE  34  -4.233  -3.047   1.307
  297   2HG2  ILE  34          1HG2      ILE  34  -3.020  -4.285   1.694
  298   3HG2  ILE  34          2HG2      ILE  34  -3.999  -4.430   0.233
  299   1HD1  ILE  34          1HD1      ILE  34  -5.013  -2.424   3.362
  300   2HD1  ILE  34          2HD1      ILE  34  -6.557  -3.160   3.847
  301   3HD1  ILE  34          3HD1      ILE  34  -5.241  -3.027   5.014
  302    H    SER  35           H        SER  35  -6.721  -3.244  -0.568
  303    HA   SER  35           HA       SER  35  -7.484  -5.412  -2.425
  304   1HB   SER  35          1HB       SER  35  -7.371  -2.383  -2.766
  305   2HB   SER  35          2HB       SER  35  -8.057  -3.550  -3.911
  306    HG   SER  35           HG       SER  35  -8.955  -3.667  -1.264
  307    H    GLU  36           H        GLU  36  -4.922  -2.879  -1.929
  308    HA   GLU  36           HA       GLU  36  -2.936  -4.537  -3.095
  309   1HB   GLU  36          2HB       GLU  36  -4.412  -3.435  -5.152
  310   2HB   GLU  36          1HB       GLU  36  -3.293  -2.112  -4.847
  311   1HG   GLU  36          1HG       GLU  36  -2.440  -3.542  -6.596
  312   2HG   GLU  36          2HG       GLU  36  -1.387  -3.740  -5.204
  313    NH1  ARG  37           NH1      ARG  37   0.853  -5.267   3.252
  314    NH2  ARG  37           NH2      ARG  37   0.460  -6.938   1.730
  315    H    ARG  37           H        ARG  37  -0.796  -3.073  -3.398
  316    HA   ARG  37           HA       ARG  37  -0.908  -0.738  -1.538
  317   1HB   ARG  37          1HB       ARG  37   0.938  -3.175  -1.495
  318   2HB   ARG  37          2HB       ARG  37   1.358  -1.622  -0.761
  319   1HG   ARG  37          1HG       ARG  37  -0.497  -1.646   0.639
  320   2HG   ARG  37          2HG       ARG  37  -1.126  -3.168  -0.020
  321   1HD   ARG  37          1HD       ARG  37   1.639  -2.922   1.185
  322   2HD   ARG  37          2HD       ARG  37   0.190  -3.085   2.194
  323    HE   ARG  37           HE       ARG  37   0.521  -5.103   0.054
  324   1HH1  ARG  37          1HH1      ARG  37   1.179  -4.325   3.422
  325   2HH1  ARG  37          2HH1      ARG  37   0.854  -5.913   4.044
  326   1HH2  ARG  37          1HH2      ARG  37   0.325  -7.218   0.765
  327   2HH2  ARG  37          2HH2      ARG  37   0.388  -7.604   2.493
  328    H    GLY  38           H        GLY  38   1.170   0.527  -1.588
  329   1HA   GLY  38          1HA       GLY  38   2.865   0.274  -3.880
  330   2HA   GLY  38          2HA       GLY  38   1.617   1.454  -4.256
  331    H    CYS  39           H        CYS  39   3.474   2.897  -4.487
  332    HA   CYS  39           HA       CYS  39   4.889   3.778  -2.043
  333   1HB   CYS  39          1HB       CYS  39   5.509   4.001  -5.011
  334   2HB   CYS  39          2HB       CYS  39   6.512   4.597  -3.694
  335    H    GLY  40           H        GLY  40   5.250   6.047  -1.745
  336   1HA   GLY  40          1HA       GLY  40   4.706   8.266  -1.678
  337   2HA   GLY  40          2HA       GLY  40   4.631   8.128  -3.423
  338    H    CYS  41           H        CYS  41   2.822   7.104  -1.015
  339    HA   CYS  41           HA       CYS  41   0.303   6.545  -1.531
  340   1HB   CYS  41          1HB       CYS  41   1.196   6.871   0.747
  341   2HB   CYS  41          2HB       CYS  41   0.975   8.604   0.559
  342    HA   PRO  42           HA       PRO  42  -1.593  10.188  -3.476
  343   1HB   PRO  42          1HB       PRO  42  -2.649   9.051  -5.685
  344   2HB   PRO  42          2HB       PRO  42  -0.913   9.421  -5.571
  345   1HG   PRO  42          1HG       PRO  42  -2.318   6.763  -5.154
  346   2HG   PRO  42          2HG       PRO  42  -0.804   7.065  -6.051
  347   1HD   PRO  42          1HD       PRO  42  -1.022   6.201  -3.379
  348   2HD   PRO  42          2HD       PRO  42   0.440   6.952  -4.088
  349    H    THR  43           H        THR  43  -3.989  10.392  -4.037
  350    HA   THR  43           HA       THR  43  -5.625   8.878  -2.106
  351    HB   THR  43           HB       THR  43  -6.717  10.829  -4.121
  352    HG1  THR  43           HG1      THR  43  -5.152  11.430  -1.829
  353   1HG2  THR  43          1HG2      THR  43  -7.321  10.287  -1.176
  354   2HG2  THR  43          2HG2      THR  43  -8.132  11.496  -2.191
  355   3HG2  THR  43          3HG2      THR  43  -8.300   9.774  -2.568
  356    H    ALA  44           H        ALA  44  -7.498   7.603  -2.838
  357    HA   ALA  44           HA       ALA  44  -7.292   6.644  -5.689
  358   1HB   ALA  44          2HB       ALA  44  -7.873   5.058  -3.174
  359   2HB   ALA  44          3HB       ALA  44  -8.091   4.452  -4.828
  360   3HB   ALA  44          1HB       ALA  44  -6.478   4.913  -4.248
  361    H    MET  45           H        MET  45  -9.257   5.963  -6.663
  362    HA   MET  45           HA       MET  45 -11.487   7.745  -5.977
  363   1HB   MET  45          1HB       MET  45 -10.836   5.989  -8.386
  364   2HB   MET  45          2HB       MET  45 -12.250   7.040  -8.243
  365   1HG   MET  45          2HG       MET  45 -10.775   9.013  -7.974
  366   2HG   MET  45          1HG       MET  45  -9.355   7.977  -8.183
  367   1HE   MET  45          3HE       MET  45  -9.873  10.628  -9.827
  368   2HE   MET  45          2HE       MET  45  -8.441   9.585 -10.032
  369   3HE   MET  45          1HE       MET  45  -9.387  10.091 -11.452
  370    CH2  TRP  46           CH2      TRP  46 -20.965   4.162  -5.379
  371    H    TRP  46           H        TRP  46 -13.683   6.920  -6.222
  372    HA   TRP  46           HA       TRP  46 -14.237   4.811  -4.431
  373   1HB   TRP  46          1HB       TRP  46 -15.684   6.870  -5.282
  374   2HB   TRP  46          2HB       TRP  46 -16.104   5.812  -6.596
  375    HD1  TRP  46           HD1      TRP  46 -16.040   5.272  -2.733
  376    HE1  TRP  46           HE1      TRP  46 -18.359   4.363  -2.009
  377    HE3  TRP  46           HE3      TRP  46 -18.358   5.434  -7.212
  378    HZ2  TRP  46           HZ2      TRP  46 -20.879   3.769  -3.254
  379    HZ3  TRP  46           HZ3      TRP  46 -20.748   4.684  -7.463
  380    HH2  TRP  46           HH2      TRP  46 -21.995   3.849  -5.482
  381    HA   PRO  47           HA       PRO  47 -15.665   3.017  -4.095
  382   1HB   PRO  47          2HB       PRO  47 -15.967   0.388  -3.862
  383   2HB   PRO  47          1HB       PRO  47 -16.878   1.288  -5.101
  384   1HG   PRO  47          2HG       PRO  47 -14.252  -0.197  -5.502
  385   2HG   PRO  47          1HG       PRO  47 -15.772  -0.417  -6.420
  386   1HD   PRO  47          1HD       PRO  47 -13.774   1.275  -7.275
  387   2HD   PRO  47          2HD       PRO  47 -15.497   1.648  -7.540
  388    OH   TYR  48           OH       TYR  48 -11.432  -2.901  -6.751
  389    H    TYR  48           H        TYR  48 -12.528   3.177  -4.683
  390    HA   TYR  48           HA       TYR  48 -11.638   1.496  -2.379
  391   1HB   TYR  48          1HB       TYR  48 -10.106   2.730  -4.698
  392   2HB   TYR  48          2HB       TYR  48  -9.396   1.859  -3.347
  393    HD1  TYR  48           HD2      TYR  48  -9.937  -0.643  -3.094
  394    HD2  TYR  48           HD1      TYR  48 -11.171   1.631  -6.544
  395    HE1  TYR  48           HE2      TYR  48 -10.485  -2.741  -4.283
  396    HE2  TYR  48           HE1      TYR  48 -11.685  -0.481  -7.744
  397    HH   TYR  48           HH       TYR  48 -11.289  -3.687  -6.221
  398    H    GLN  49           H        GLN  49  -9.916   2.367  -1.103
  399    HA   GLN  49           HA       GLN  49  -9.235   5.083  -1.553
  400   1HB   GLN  49          2HB       GLN  49 -11.292   5.250   0.030
  401   2HB   GLN  49          1HB       GLN  49 -10.213   4.564   1.266
  402   1HG   GLN  49          2HG       GLN  49 -10.410   7.109   1.251
  403   2HG   GLN  49          1HG       GLN  49  -8.769   6.467   1.203
  404   1HE2  GLN  49          1HE2      GLN  49 -10.287   8.061  -2.299
  405   2HE2  GLN  49          2HE2      GLN  49 -11.402   7.589  -1.025
  406    H    THR  50           H        THR  50  -7.367   5.690  -0.594
  407    HA   THR  50           HA       THR  50  -5.577   3.524   0.327
  408    HB   THR  50           HB       THR  50  -3.945   5.619  -0.207
  409    HG1  THR  50           HG1      THR  50  -4.784   6.832  -1.847
  410   1HG2  THR  50          2HG2      THR  50  -3.892   3.405  -1.282
  411   2HG2  THR  50          3HG2      THR  50  -5.201   3.905  -2.377
  412   3HG2  THR  50          1HG2      THR  50  -3.621   4.721  -2.441
  413    H    GLU  51           H        GLU  51  -4.187   3.709   2.005
  414    HA   GLU  51           HA       GLU  51  -4.300   6.128   3.733
  415   1HB   GLU  51          2HB       GLU  51  -4.544   5.015   5.730
  416   2HB   GLU  51          1HB       GLU  51  -5.808   4.349   4.709
  417   1HG   GLU  51          1HG       GLU  51  -3.998   2.482   4.186
  418   2HG   GLU  51          2HG       GLU  51  -3.179   3.211   5.560
  419    H    CYS  52           H        CYS  52  -2.281   6.706   4.442
  420    HA   CYS  52           HA       CYS  52  -0.082   5.427   3.004
  421   1HB   CYS  52          2HB       CYS  52  -0.027   7.960   4.611
  422   2HB   CYS  52          1HB       CYS  52   0.984   7.516   3.241
  423    H    CYS  53           H        CYS  53   2.089   5.485   4.052
  424    HA   CYS  53           HA       CYS  53   2.346   5.852   6.906
  425   1HB   CYS  53          1HB       CYS  53   3.181   3.661   7.465
  426   2HB   CYS  53          2HB       CYS  53   1.530   3.511   6.848
  427    H    LYS  54           H        LYS  54   4.795   5.484   7.466
  428    HA   LYS  54           HA       LYS  54   6.567   5.881   5.150
  429   1HB   LYS  54          1HB       LYS  54   7.762   7.437   6.764
  430   2HB   LYS  54          2HB       LYS  54   6.344   8.100   5.936
  431   1HG   LYS  54          1HG       LYS  54   4.993   7.809   7.967
  432   2HG   LYS  54          2HG       LYS  54   6.352   6.999   8.783
  433   1HD   LYS  54          2HD       LYS  54   7.691   9.078   8.630
  434   2HD   LYS  54          1HD       LYS  54   6.387   9.864   7.723
  435   1HE   LYS  54          2HE       LYS  54   6.325  10.584  10.054
  436   2HE   LYS  54          1HE       LYS  54   4.871   9.647   9.676
  437   1HZ   LYS  54          1HZ       LYS  54   7.258   8.621  11.055
  438   2HZ   LYS  54          3HZ       LYS  54   5.835   9.038  11.774
  439   3HZ   LYS  54          2HZ       LYS  54   5.888   7.762  10.735
  440    H    GLY  55           H        GLY  55   8.543   4.866   5.462
  441   1HA   GLY  55          2HA       GLY  55  10.185   3.988   7.100
  442   2HA   GLY  55          1HA       GLY  55   8.863   3.156   7.927
  443    H    ASP  56           H        ASP  56  11.120   1.788   6.953
  444    HA   ASP  56           HA       ASP  56  10.886   0.739   4.312
  445   1HB   ASP  56          1HB       ASP  56  12.402  -1.011   5.201
  446   2HB   ASP  56          2HB       ASP  56  12.981   0.631   5.500
  447    NH1  ARG  57           NH1      ARG  57   9.364  -8.068   6.193
  448    NH2  ARG  57           NH2      ARG  57  10.562  -7.577   8.116
  449    H    ARG  57           H        ARG  57   9.393  -0.627   3.519
  450    HA   ARG  57           HA       ARG  57   7.461  -1.638   3.394
  451   1HB   ARG  57          2HB       ARG  57   7.575  -3.830   4.080
  452   2HB   ARG  57          1HB       ARG  57   9.158  -3.408   3.476
  453   1HG   ARG  57          2HG       ARG  57  10.152  -3.403   5.653
  454   2HG   ARG  57          1HG       ARG  57   8.583  -3.470   6.474
  455   1HD   ARG  57          2HD       ARG  57   8.133  -5.672   5.539
  456   2HD   ARG  57          1HD       ARG  57   9.687  -5.654   4.667
  457    HE   ARG  57           HE       ARG  57  10.273  -5.198   7.369
  458   1HH1  ARG  57          1HH1      ARG  57   8.875  -7.754   5.360
  459   2HH1  ARG  57          2HH1      ARG  57   9.441  -9.057   6.374
  460   1HH2  ARG  57          2HH2      ARG  57  10.996  -6.898   8.725
  461   2HH2  ARG  57          1HH2      ARG  57  10.644  -8.559   8.335
  462    H    CYS  58           H        CYS  58   7.249   0.464   5.339
  463    HA   CYS  58           HA       CYS  58   5.997  -0.327   7.708
  464   1HB   CYS  58          1HB       CYS  58   4.984   1.871   7.690
  465   2HB   CYS  58          2HB       CYS  58   6.664   1.953   7.163
  466    H    ASN  59           H        ASN  59   4.718  -0.212   4.387
  467    HA   ASN  59           HA       ASN  59   1.962  -0.650   5.212
  468   1HB   ASN  59          1HB       ASN  59   1.518  -0.608   2.865
  469   2HB   ASN  59          2HB       ASN  59   2.553   0.757   3.241
  470   1HD2  ASN  59          2HD2      ASN  59   3.495  -1.031   0.014
  471   2HD2  ASN  59          1HD2      ASN  59   2.318   0.079   0.653
  472    H    LYS  60           H        LYS  60   3.183  -2.611   6.457
  473    HA   LYS  60           HA       LYS  60   3.306  -5.039   4.733
  474   1HB   LYS  60          2HB       LYS  60   4.127  -6.158   6.762
  475   2HB   LYS  60          1HB       LYS  60   5.133  -4.826   6.184
  476   1HG   LYS  60          1HG       LYS  60   4.244  -3.351   7.981
  477   2HG   LYS  60          2HG       LYS  60   3.148  -4.643   8.492
  478   1HD   LYS  60          2HD       LYS  60   5.048  -4.579   9.984
  479   2HD   LYS  60          1HD       LYS  60   5.155  -6.065   9.025
  480   1HE   LYS  60          1HE       LYS  60   6.849  -4.998   7.549
  481   2HE   LYS  60          2HE       LYS  60   6.669  -3.468   8.424
  482   1HZ   LYS  60          1HZ       LYS  60   7.656  -5.996   9.541
  483   2HZ   LYS  60          2HZ       LYS  60   8.572  -4.696   9.114
  484   3HZ   LYS  60          3HZ       LYS  60   7.507  -4.574  10.367
   
  Start of MODEL          17
 Raw file had  484 H/Q atoms
  Start of MODEL   17
    1    NH1  ARG   1           NH1      ARG   1  12.058   3.960   5.512
    2    NH2  ARG   1           NH2      ARG   1  10.939   5.981   5.693
    3   1H    ARG   1          2H        ARG   1  12.107   4.037  -1.276
    4   2H    ARG   1          3H        ARG   1  12.265   5.231  -0.176
    5   3H    ARG   1          1H        ARG   1  13.427   4.039  -0.311
    6    HA   ARG   1           HA       ARG   1  12.313   3.206   1.461
    7   1HB   ARG   1          2HB       ARG   1  10.742   5.092   1.579
    8   2HB   ARG   1          1HB       ARG   1   9.834   4.457   0.187
    9   1HG   ARG   1          2HG       ARG   1   8.592   4.000   2.145
   10   2HG   ARG   1          1HG       ARG   1   9.238   2.461   1.592
   11   1HD   ARG   1          1HD       ARG   1   9.476   2.555   3.898
   12   2HD   ARG   1          2HD       ARG   1  11.124   2.741   3.297
   13    HE   ARG   1           HE       ARG   1   9.543   5.179   3.889
   14   1HH1  ARG   1          1HH1      ARG   1  12.234   3.068   5.061
   15   2HH1  ARG   1          2HH1      ARG   1  12.683   4.235   6.255
   16   1HH2  ARG   1          1HH2      ARG   1  10.211   6.599   5.340
   17   2HH2  ARG   1          2HH2      ARG   1  11.536   6.283   6.448
   18    H    ILE   2           H        ILE   2  11.663   1.023   1.596
   19    HA   ILE   2           HA       ILE   2  11.048  -0.425  -0.885
   20    HB   ILE   2           HB       ILE   2  11.313  -1.226   2.043
   21   1HG1  ILE   2          1HG1      ILE   2  13.430  -0.493   0.775
   22   2HG1  ILE   2          2HG1      ILE   2  13.451  -2.068   1.568
   23   1HG2  ILE   2          1HG2      ILE   2  10.850  -2.952  -0.414
   24   2HG2  ILE   2          3HG2      ILE   2  11.395  -3.581   1.162
   25   3HG2  ILE   2          2HG2      ILE   2   9.815  -2.809   1.020
   26   1HD1  ILE   2          1HD1      ILE   2  12.832  -1.715  -1.385
   27   2HD1  ILE   2          3HD1      ILE   2  14.452  -2.029  -0.728
   28   3HD1  ILE   2          2HD1      ILE   2  13.169  -3.230  -0.522
   29    H    CYS   3           H        CYS   3   8.878  -0.697  -1.575
   30    HA   CYS   3           HA       CYS   3   6.765  -0.720   0.556
   31   1HB   CYS   3          1HB       CYS   3   6.385   0.659  -2.112
   32   2HB   CYS   3          2HB       CYS   3   5.298   0.591  -0.764
   33    OH   TYR   4           OH       TYR   4   4.115  -7.612   3.767
   34    H    TYR   4           H        TYR   4   5.030  -2.056   0.155
   35    HA   TYR   4           HA       TYR   4   5.481  -4.262  -1.566
   36   1HB   TYR   4          2HB       TYR   4   3.128  -3.137  -0.028
   37   2HB   TYR   4          1HB       TYR   4   2.824  -4.399  -1.198
   38    HD1  TYR   4           HD1      TYR   4   5.594  -4.047   1.384
   39    HD2  TYR   4           HD2      TYR   4   2.190  -6.270  -0.074
   40    HE1  TYR   4           HE1      TYR   4   5.839  -5.697   3.226
   41    HE2  TYR   4           HE2      TYR   4   2.418  -7.823   1.808
   42    HH   TYR   4           HH       TYR   4   3.209  -7.582   4.129
   43    H    SER   5           H        SER   5   5.060  -4.650  -3.600
   44    HA   SER   5           HA       SER   5   3.247  -2.908  -5.216
   45   1HB   SER   5          1HB       SER   5   5.029  -5.033  -6.406
   46   2HB   SER   5          2HB       SER   5   4.571  -3.451  -7.044
   47    HG   SER   5           HG       SER   5   6.450  -4.144  -5.038
   48    H    HIS   6           H        HIS   6   2.342  -5.092  -3.299
   49    HA   HIS   6           HA       HIS   6   0.680  -6.675  -5.114
   50   1HB   HIS   6          1HB       HIS   6   1.357  -8.778  -3.869
   51   2HB   HIS   6          2HB       HIS   6   2.591  -8.139  -4.957
   52    HD1  HIS   6           HD1      HIS   6   4.375  -6.392  -3.639
   53    HD2  HIS   6           HD2      HIS   6   2.679  -9.592  -1.538
   54    HE1  HIS   6           HE1      HIS   6   5.705  -6.687  -1.523
   55    H    LYS   7           H        LYS   7  -1.217  -7.362  -4.031
   56    HA   LYS   7           HA       LYS   7  -1.880  -5.801  -1.649
   57   1HB   LYS   7          2HB       LYS   7  -4.125  -6.686  -2.013
   58   2HB   LYS   7          1HB       LYS   7  -3.460  -5.923  -3.447
   59   1HG   LYS   7          2HG       LYS   7  -3.464  -7.786  -4.688
   60   2HG   LYS   7          1HG       LYS   7  -3.016  -8.879  -3.379
   61   1HD   LYS   7          1HD       LYS   7  -5.786  -7.630  -3.432
   62   2HD   LYS   7          2HD       LYS   7  -5.391  -9.007  -4.462
   63   1HE   LYS   7          2HE       LYS   7  -6.385  -9.854  -2.439
   64   2HE   LYS   7          1HE       LYS   7  -4.689 -10.348  -2.492
   65   1HZ   LYS   7          1HZ       LYS   7  -5.778  -8.096  -0.951
   66   2HZ   LYS   7          3HZ       LYS   7  -5.374  -9.570  -0.337
   67   3HZ   LYS   7          2HZ       LYS   7  -4.206  -8.582  -0.942
   68    H    ALA   8           H        ALA   8  -0.840  -9.091  -2.248
   69    HA   ALA   8           HA       ALA   8  -2.158 -10.347  -0.017
   70   1HB   ALA   8          3HB       ALA   8   0.450 -11.047  -1.445
   71   2HB   ALA   8          2HB       ALA   8  -0.434 -12.099  -0.321
   72   3HB   ALA   8          1HB       ALA   8  -1.171 -11.642  -1.871
   73    H    SER   9           H        SER   9  -1.741  -9.961   2.180
   74    HA   SER   9           HA       SER   9   0.456  -8.224   2.904
   75   1HB   SER   9          1HB       SER   9  -0.527  -8.507   5.178
   76   2HB   SER   9          2HB       SER   9  -1.691  -7.956   3.962
   77    HG   SER   9           HG       SER   9  -1.298 -10.626   4.846
   78    H    LEU  10           H        LEU  10   1.926  -9.900   1.871
   79    HA   LEU  10           HA       LEU  10   3.415 -11.260   3.957
   80   1HB   LEU  10          1HB       LEU  10   1.819 -13.038   3.311
   81   2HB   LEU  10          2HB       LEU  10   2.195 -12.765   1.607
   82    HG   LEU  10           HG       LEU  10   4.592 -13.453   2.095
   83   1HD1  LEU  10          3HD2      LEU  10   3.370 -14.343   4.751
   84   2HD1  LEU  10          2HD2      LEU  10   4.984 -14.780   4.155
   85   3HD1  LEU  10          1HD2      LEU  10   4.619 -13.098   4.557
   86   1HD2  LEU  10          2HD1      LEU  10   2.394 -15.480   2.670
   87   2HD2  LEU  10          3HD1      LEU  10   2.972 -14.980   1.064
   88   3HD2  LEU  10          1HD1      LEU  10   4.054 -15.859   2.159
   89    HA   PRO  11           HA       PRO  11   5.941  -8.918   1.053
   90   1HB   PRO  11          2HB       PRO  11   8.193 -10.543   2.244
   91   2HB   PRO  11          1HB       PRO  11   8.119  -8.809   1.793
   92   1HG   PRO  11          2HG       PRO  11   7.763  -9.586   4.405
   93   2HG   PRO  11          1HG       PRO  11   6.699  -8.339   3.692
   94   1HD   PRO  11          1HD       PRO  11   6.135 -11.296   4.037
   95   2HD   PRO  11          2HD       PRO  11   5.082  -9.896   4.395
   96    NH1  ARG  12           NH1      ARG  12   5.399 -16.185  -0.678
   97    NH2  ARG  12           NH2      ARG  12   6.621 -14.731   0.659
   98    H    ARG  12           H        ARG  12   5.933  -9.369  -0.982
   99    HA   ARG  12           HA       ARG  12   7.158 -11.851  -2.074
  100   1HB   ARG  12          1HB       ARG  12   4.445 -11.590  -1.914
  101   2HB   ARG  12          2HB       ARG  12   4.710 -10.754  -3.435
  102   1HG   ARG  12          1HG       ARG  12   4.510 -12.850  -4.282
  103   2HG   ARG  12          2HG       ARG  12   6.232 -12.950  -3.912
  104   1HD   ARG  12          1HD       ARG  12   3.867 -14.018  -2.306
  105   2HD   ARG  12          2HD       ARG  12   5.173 -14.937  -3.084
  106    HE   ARG  12           HE       ARG  12   6.037 -13.048  -0.997
  107   1HH1  ARG  12          2HH1      ARG  12   4.836 -16.336  -1.501
  108   2HH1  ARG  12          1HH1      ARG  12   5.566 -16.948  -0.041
  109   1HH2  ARG  12          2HH2      ARG  12   6.961 -13.782   0.804
  110   2HH2  ARG  12          1HH2      ARG  12   6.823 -15.451   1.335
  111    H    ALA  13           H        ALA  13   5.629  -8.902  -3.346
  112    HA   ALA  13           HA       ALA  13   8.119  -8.330  -4.941
  113   1HB   ALA  13          1HB       ALA  13   5.199  -7.736  -5.579
  114   2HB   ALA  13          3HB       ALA  13   6.606  -7.279  -6.564
  115   3HB   ALA  13          2HB       ALA  13   6.210  -8.991  -6.323
  116    H    THR  14           H        THR  14   8.890  -7.198  -2.904
  117    HA   THR  14           HA       THR  14   7.514  -4.625  -2.356
  118    HB   THR  14           HB       THR  14   9.119  -4.426  -0.578
  119    HG1  THR  14           HG1      THR  14  10.714  -5.824  -1.749
  120   1HG2  THR  14          3HG2      THR  14   7.025  -5.596  -0.104
  121   2HG2  THR  14          1HG2      THR  14   7.788  -7.162  -0.494
  122   3HG2  THR  14          2HG2      THR  14   8.336  -6.210   0.897
  123    H    LYS  15           H        LYS  15   8.136  -2.876  -3.547
  124    HA   LYS  15           HA       LYS  15  10.733  -3.057  -5.049
  125   1HB   LYS  15          2HB       LYS  15   9.834  -1.475  -6.604
  126   2HB   LYS  15          1HB       LYS  15   8.749  -2.856  -6.412
  127   1HG   LYS  15          1HG       LYS  15   7.366  -1.433  -4.837
  128   2HG   LYS  15          2HG       LYS  15   8.370  -0.043  -5.272
  129   1HD   LYS  15          2HD       LYS  15   7.756  -0.262  -7.639
  130   2HD   LYS  15          1HD       LYS  15   6.908  -1.776  -7.318
  131   1HE   LYS  15          2HE       LYS  15   6.044   1.009  -6.470
  132   2HE   LYS  15          1HE       LYS  15   5.245  -0.106  -7.580
  133   1HZ   LYS  15          3HZ       LYS  15   5.029  -1.621  -5.656
  134   2HZ   LYS  15          1HZ       LYS  15   5.515  -0.395  -4.679
  135   3HZ   LYS  15          2HZ       LYS  15   4.127  -0.237  -5.551
  136    H    THR  16           H        THR  16  12.294  -1.578  -4.911
  137    HA   THR  16           HA       THR  16  12.395   0.252  -2.685
  138    HB   THR  16           HB       THR  16  14.413  -0.105  -4.940
  139    HG1  THR  16           HG1      THR  16  15.187  -1.856  -3.723
  140   1HG2  THR  16          3HG2      THR  16  14.866   1.659  -3.223
  141   2HG2  THR  16          1HG2      THR  16  14.699   0.438  -1.940
  142   3HG2  THR  16          2HG2      THR  16  16.025   0.323  -3.114
  143    H    CYS  17           H        CYS  17  10.859   1.903  -3.120
  144    HA   CYS  17           HA       CYS  17  11.052   3.438  -5.663
  145   1HB   CYS  17          1HB       CYS  17   9.223   3.460  -3.259
  146   2HB   CYS  17          2HB       CYS  17   9.252   4.822  -4.385
  147    H    VAL  18           H        VAL  18  11.248   5.808  -5.542
  148    HA   VAL  18           HA       VAL  18  13.554   6.637  -4.033
  149    HB   VAL  18           HB       VAL  18  11.539   8.222  -5.694
  150   1HG1  VAL  18          2HG2      VAL  18  14.340   8.954  -4.732
  151   2HG1  VAL  18          1HG2      VAL  18  13.406   9.865  -5.936
  152   3HG1  VAL  18          3HG2      VAL  18  12.821   9.757  -4.276
  153   1HG2  VAL  18          2HG1      VAL  18  14.234   6.993  -6.436
  154   2HG2  VAL  18          1HG1      VAL  18  12.650   6.460  -7.036
  155   3HG2  VAL  18          3HG1      VAL  18  13.266   8.054  -7.478
  156    H    GLU  19           H        GLU  19  10.079   6.960  -3.588
  157    HA   GLU  19           HA       GLU  19   9.902   9.089  -1.816
  158   1HB   GLU  19          2HB       GLU  19   8.241   6.535  -1.602
  159   2HB   GLU  19          1HB       GLU  19   7.744   8.181  -1.174
  160   1HG   GLU  19          1HG       GLU  19   8.118   7.001  -3.944
  161   2HG   GLU  19          2HG       GLU  19   6.665   7.668  -3.218
  162    H    ASN  20           H        ASN  20   9.232   9.026   0.485
  163    HA   ASN  20           HA       ASN  20  11.023   7.334   2.168
  164   1HB   ASN  20          2HB       ASN  20  10.978   9.056   3.733
  165   2HB   ASN  20          1HB       ASN  20  11.084   9.933   2.200
  166   1HD2  ASN  20          1HD2      ASN  20   8.105  10.871   4.666
  167   2HD2  ASN  20          2HD2      ASN  20   9.673  10.238   5.128
  168    H    THR  21           H        THR  21   7.820   7.367   1.054
  169    HA   THR  21           HA       THR  21   6.700   6.128   3.484
  170    HB   THR  21           HB       THR  21   4.606   7.487   2.562
  171    HG1  THR  21           HG1      THR  21   6.704   9.283   1.903
  172   1HG2  THR  21          1HG2      THR  21   6.798   8.721   4.249
  173   2HG2  THR  21          2HG2      THR  21   5.201   9.460   3.997
  174   3HG2  THR  21          3HG2      THR  21   5.320   7.883   4.782
  175    H    CYS  22           H        CYS  22   4.596   4.982   2.866
  176    HA   CYS  22           HA       CYS  22   4.412   4.077   0.068
  177   1HB   CYS  22          1HB       CYS  22   4.132   2.184   2.396
  178   2HB   CYS  22          2HB       CYS  22   4.215   1.840   0.686
  179    OH   TYR  23           OH       TYR  23  -1.070   4.656  -5.645
  180    H    TYR  23           H        TYR  23   2.237   3.371  -0.367
  181    HA   TYR  23           HA       TYR  23   0.249   3.915   1.818
  182   1HB   TYR  23          1HB       TYR  23  -1.394   4.458   0.226
  183   2HB   TYR  23          2HB       TYR  23  -0.011   5.500   0.138
  184    HD1  TYR  23           HD1      TYR  23  -1.847   2.753  -1.599
  185    HD2  TYR  23           HD2      TYR  23   1.257   5.719  -1.902
  186    HE1  TYR  23           HE1      TYR  23  -2.194   2.882  -4.053
  187    HE2  TYR  23           HE2      TYR  23   0.817   5.941  -4.321
  188    HH   TYR  23           HH       TYR  23  -0.899   5.577  -5.889
  189    H    LYS  24           H        LYS  24  -1.554   2.719   1.826
  190    HA   LYS  24           HA       LYS  24  -1.490   0.032   0.541
  191   1HB   LYS  24          1HB       LYS  24  -2.178  -1.063   2.648
  192   2HB   LYS  24          2HB       LYS  24  -0.552  -0.362   2.715
  193   1HG   LYS  24          1HG       LYS  24  -1.511   1.621   3.948
  194   2HG   LYS  24          2HG       LYS  24  -3.067   0.757   3.996
  195   1HD   LYS  24          1HD       LYS  24  -1.944  -1.158   5.135
  196   2HD   LYS  24          2HD       LYS  24  -0.415  -0.254   5.110
  197   1HE   LYS  24          2HE       LYS  24  -1.495   1.555   6.474
  198   2HE   LYS  24          1HE       LYS  24  -2.978   0.578   6.541
  199   1HZ   LYS  24          1HZ       LYS  24  -1.733  -1.121   7.656
  200   2HZ   LYS  24          2HZ       LYS  24  -0.357  -0.217   7.593
  201   3HZ   LYS  24          3HZ       LYS  24  -1.645   0.303   8.481
  202    H    MET  25           H        MET  25  -3.312  -0.313  -0.494
  203    HA   MET  25           HA       MET  25  -5.596   1.524  -0.067
  204   1HB   MET  25          1HB       MET  25  -4.376   1.648  -2.204
  205   2HB   MET  25          2HB       MET  25  -4.788  -0.047  -2.442
  206   1HG   MET  25          1HG       MET  25  -7.235   0.550  -2.368
  207   2HG   MET  25          2HG       MET  25  -6.769   2.246  -2.317
  208   1HE   MET  25          2HE       MET  25  -4.954   3.081  -4.142
  209   2HE   MET  25          3HE       MET  25  -4.117   1.589  -4.636
  210   3HE   MET  25          1HE       MET  25  -4.995   2.552  -5.842
  211    H    PHE  26           H        PHE  26  -7.611   0.725   0.272
  212    HA   PHE  26           HA       PHE  26  -8.234  -2.160   0.101
  213   1HB   PHE  26          1HB       PHE  26  -9.460  -1.724   2.361
  214   2HB   PHE  26          2HB       PHE  26  -7.731  -2.007   2.377
  215    HD1  PHE  26           HD1      PHE  26 -10.322   0.675   2.683
  216    HD2  PHE  26           HD2      PHE  26  -6.133  -0.309   2.993
  217    HE1  PHE  26           HE1      PHE  26  -9.887   2.842   3.783
  218    HE2  PHE  26           HE2      PHE  26  -5.695   1.907   3.978
  219    HZ   PHE  26           HZ       PHE  26  -7.560   3.478   4.422
  220    H    ILE  27           H        ILE  27 -10.764  -2.325   0.484
  221    HA   ILE  27           HA       ILE  27 -12.001  -0.402  -1.373
  222    HB   ILE  27           HB       ILE  27 -13.128  -2.713   0.193
  223   1HG1  ILE  27          1HG1      ILE  27 -12.578  -2.365  -2.797
  224   2HG1  ILE  27          2HG1      ILE  27 -11.541  -3.251  -1.679
  225   1HG2  ILE  27          1HG2      ILE  27 -14.859  -0.939  -0.253
  226   2HG2  ILE  27          3HG2      ILE  27 -14.444  -0.991  -1.972
  227   3HG2  ILE  27          2HG2      ILE  27 -15.186  -2.392  -1.175
  228   1HD1  ILE  27          1HD1      ILE  27 -13.455  -4.788  -1.159
  229   2HD1  ILE  27          2HD1      ILE  27 -14.370  -4.005  -2.473
  230   3HD1  ILE  27          3HD1      ILE  27 -12.863  -4.856  -2.831
  231    NH1  ARG  28           NH2      ARG  28 -18.248   4.794   0.711
  232    NH2  ARG  28           NH1      ARG  28 -18.552   3.927  -1.416
  233    H    ARG  28           H        ARG  28 -13.287   1.292  -0.750
  234    HA   ARG  28           HA       ARG  28 -12.787   2.664   1.592
  235   1HB   ARG  28          2HB       ARG  28 -13.805   3.503  -0.528
  236   2HB   ARG  28          1HB       ARG  28 -15.303   2.673  -0.147
  237   1HG   ARG  28          1HG       ARG  28 -15.683   4.130   1.784
  238   2HG   ARG  28          2HG       ARG  28 -14.089   4.881   1.581
  239   1HD   ARG  28          2HD       ARG  28 -15.953   6.285   0.615
  240   2HD   ARG  28          1HD       ARG  28 -14.705   5.837  -0.543
  241    HE   ARG  28           HE       ARG  28 -16.165   4.565  -1.743
  242   1HH1  ARG  28          1HH2      ARG  28 -17.642   5.223   1.393
  243   2HH1  ARG  28          2HH2      ARG  28 -19.200   4.571   0.963
  244   1HH2  ARG  28          2HH1      ARG  28 -18.189   3.713  -2.334
  245   2HH2  ARG  28          1HH1      ARG  28 -19.505   3.679  -1.195
  246    H    THR  29           H        THR  29 -15.632   0.737   0.873
  247    HA   THR  29           HA       THR  29 -16.793   0.925   3.527
  248    HB   THR  29           HB       THR  29 -18.297  -0.884   2.514
  249    HG1  THR  29           HG1      THR  29 -17.943  -1.356   0.347
  250   1HG2  THR  29          3HG2      THR  29 -18.859   1.535   2.354
  251   2HG2  THR  29          2HG2      THR  29 -17.909   1.662   0.859
  252   3HG2  THR  29          1HG2      THR  29 -19.368   0.653   0.902
  253    H    HIS  30           H        HIS  30 -15.331  -1.749   1.635
  254    HA   HIS  30           HA       HIS  30 -15.156  -3.444   4.038
  255   1HB   HIS  30          2HB       HIS  30 -14.281  -4.148   1.230
  256   2HB   HIS  30          1HB       HIS  30 -14.745  -5.196   2.540
  257    HD1  HIS  30           HD1      HIS  30 -17.439  -3.967   3.419
  258    HD2  HIS  30           HD2      HIS  30 -16.306  -4.541  -0.568
  259    HE1  HIS  30           HE1      HIS  30 -19.565  -3.945   2.026
  260    NH1  ARG  31           NH2      ARG  31 -12.357   3.608   4.896
  261    NH2  ARG  31           NH1      ARG  31 -10.544   4.307   6.130
  262    H    ARG  31           H        ARG  31 -13.769  -1.715   4.898
  263    HA   ARG  31           HA       ARG  31 -11.165  -1.122   4.017
  264   1HB   ARG  31          1HB       ARG  31 -12.212  -1.253   6.882
  265   2HB   ARG  31          2HB       ARG  31 -10.817  -0.328   6.291
  266   1HG   ARG  31          2HG       ARG  31 -12.354   0.921   4.749
  267   2HG   ARG  31          1HG       ARG  31 -13.733   0.108   5.492
  268   1HD   ARG  31          1HD       ARG  31 -13.745   2.079   6.640
  269   2HD   ARG  31          2HD       ARG  31 -12.909   0.995   7.749
  270    HE   ARG  31           HE       ARG  31 -11.016   2.295   7.540
  271   1HH1  ARG  31          1HH2      ARG  31 -13.092   2.940   4.677
  272   2HH1  ARG  31          2HH2      ARG  31 -12.196   4.400   4.282
  273   1HH2  ARG  31          1HH1      ARG  31  -9.904   4.205   6.903
  274   2HH2  ARG  31          2HH1      ARG  31 -10.459   5.085   5.484
  275    H    GLU  32           H        GLU  32 -12.395  -3.837   5.872
  276    HA   GLU  32           HA       GLU  32  -9.847  -4.903   6.688
  277   1HB   GLU  32          2HB       GLU  32 -11.296  -6.814   7.404
  278   2HB   GLU  32          1HB       GLU  32 -11.935  -5.272   7.966
  279   1HG   GLU  32          2HG       GLU  32 -12.957  -6.111   5.267
  280   2HG   GLU  32          1HG       GLU  32 -13.338  -7.211   6.564
  281    OH   TYR  33           OH       TYR  33  -8.788  -7.937  -3.381
  282    H    TYR  33           H        TYR  33 -10.005  -4.495   3.845
  283    HA   TYR  33           HA       TYR  33  -9.025  -7.134   2.955
  284   1HB   TYR  33          1HB       TYR  33 -11.306  -7.335   2.250
  285   2HB   TYR  33          2HB       TYR  33 -11.354  -5.657   1.702
  286    HD1  TYR  33           HD1      TYR  33  -9.604  -8.917   0.993
  287    HD2  TYR  33           HD2      TYR  33 -10.873  -5.092  -0.519
  288    HE1  TYR  33           HE1      TYR  33  -8.712  -9.505  -1.238
  289    HE2  TYR  33           HE2      TYR  33 -10.007  -5.691  -2.768
  290    HH   TYR  33           HH       TYR  33  -8.406  -8.814  -3.420
  291    H    ILE  34           H        ILE  34  -7.058  -6.714   2.119
  292    HA   ILE  34           HA       ILE  34  -6.332  -4.000   1.278
  293    HB   ILE  34           HB       ILE  34  -4.745  -6.599   1.138
  294   1HG1  ILE  34          2HG1      ILE  34  -5.269  -6.178   3.466
  295   2HG1  ILE  34          1HG1      ILE  34  -3.575  -5.828   3.148
  296   1HG2  ILE  34          3HG2      ILE  34  -3.900  -3.668   0.894
  297   2HG2  ILE  34          1HG2      ILE  34  -2.796  -5.058   0.998
  298   3HG2  ILE  34          2HG2      ILE  34  -3.876  -4.886  -0.385
  299   1HD1  ILE  34          2HD1      ILE  34  -4.081  -3.383   3.128
  300   2HD1  ILE  34          3HD1      ILE  34  -5.789  -3.750   3.476
  301   3HD1  ILE  34          1HD1      ILE  34  -4.532  -4.166   4.647
  302    H    SER  35           H        SER  35  -6.552  -3.295  -0.729
  303    HA   SER  35           HA       SER  35  -7.472  -5.079  -2.906
  304   1HB   SER  35          2HB       SER  35  -7.407  -2.046  -2.534
  305   2HB   SER  35          1HB       SER  35  -8.066  -2.908  -3.917
  306    HG   SER  35           HG       SER  35  -8.920  -3.689  -1.360
  307    H    GLU  36           H        GLU  36  -5.023  -2.549  -2.131
  308    HA   GLU  36           HA       GLU  36  -3.114  -3.672  -4.026
  309   1HB   GLU  36          2HB       GLU  36  -4.646  -2.414  -5.521
  310   2HB   GLU  36          1HB       GLU  36  -4.409  -0.950  -4.567
  311   1HG   GLU  36          1HG       GLU  36  -2.091  -0.789  -5.308
  312   2HG   GLU  36          2HG       GLU  36  -2.178  -2.402  -6.055
  313    NH1  ARG  37           NH1      ARG  37   0.400  -5.616   2.608
  314    NH2  ARG  37           NH2      ARG  37  -0.923  -4.418   4.080
  315    H    ARG  37           H        ARG  37  -1.097  -2.103  -3.994
  316    HA   ARG  37           HA       ARG  37  -0.882  -0.431  -1.614
  317   1HB   ARG  37          1HB       ARG  37   0.485  -3.109  -1.943
  318   2HB   ARG  37          2HB       ARG  37   1.450  -1.760  -1.321
  319   1HG   ARG  37          1HG       ARG  37   0.244  -1.479   0.581
  320   2HG   ARG  37          2HG       ARG  37  -1.229  -2.146  -0.094
  321   1HD   ARG  37          2HD       ARG  37  -0.270  -4.430  -0.010
  322   2HD   ARG  37          1HD       ARG  37   1.147  -3.745   0.822
  323    HE   ARG  37           HE       ARG  37  -1.294  -2.929   2.100
  324   1HH1  ARG  37          2HH1      ARG  37   0.814  -5.716   1.697
  325   2HH1  ARG  37          1HH1      ARG  37   0.745  -6.206   3.368
  326   1HH2  ARG  37          2HH2      ARG  37  -1.549  -3.657   4.282
  327   2HH2  ARG  37          1HH2      ARG  37  -0.552  -4.983   4.851
  328    H    GLY  38           H        GLY  38   0.977   0.988  -1.797
  329   1HA   GLY  38          2HA       GLY  38   2.374   0.996  -4.385
  330   2HA   GLY  38          1HA       GLY  38   1.172   2.284  -4.181
  331    H    CYS  39           H        CYS  39   3.493   3.302  -4.566
  332    HA   CYS  39           HA       CYS  39   5.073   3.553  -2.093
  333   1HB   CYS  39          1HB       CYS  39   5.504   4.380  -4.983
  334   2HB   CYS  39          2HB       CYS  39   6.580   4.803  -3.652
  335    H    GLY  40           H        GLY  40   5.435   5.545  -1.077
  336   1HA   GLY  40          1HA       GLY  40   5.195   7.761  -0.637
  337   2HA   GLY  40          2HA       GLY  40   4.213   7.992  -2.077
  338    H    CYS  41           H        CYS  41   2.086   8.291  -1.755
  339    HA   CYS  41           HA       CYS  41   0.515   7.557   0.581
  340   1HB   CYS  41          1HB       CYS  41   2.144   9.402   0.975
  341   2HB   CYS  41          2HB       CYS  41   1.190  10.430  -0.094
  342    HA   PRO  42           HA       PRO  42  -2.873   7.138  -1.872
  343   1HB   PRO  42          2HB       PRO  42  -3.743  10.032  -1.813
  344   2HB   PRO  42          1HB       PRO  42  -4.790   8.595  -1.704
  345   1HG   PRO  42          2HG       PRO  42  -3.819   9.985   0.506
  346   2HG   PRO  42          1HG       PRO  42  -4.235   8.257   0.559
  347   1HD   PRO  42          2HD       PRO  42  -1.618   9.487   0.669
  348   2HD   PRO  42          1HD       PRO  42  -2.047   7.729   0.841
  349    H    THR  43           H        THR  43  -3.843   6.964  -3.594
  350    HA   THR  43           HA       THR  43  -4.257   8.510  -5.817
  351    HB   THR  43           HB       THR  43  -2.731   6.311  -6.960
  352    HG1  THR  43           HG1      THR  43  -1.264   8.180  -5.385
  353   1HG2  THR  43          3HG2      THR  43  -3.587   8.264  -8.170
  354   2HG2  THR  43          1HG2      THR  43  -2.497   9.331  -7.254
  355   3HG2  THR  43          2HG2      THR  43  -1.830   8.112  -8.366
  356    H    ALA  44           H        ALA  44  -6.091   7.399  -6.709
  357    HA   ALA  44           HA       ALA  44  -6.606   4.622  -6.459
  358   1HB   ALA  44          3HB       ALA  44  -7.832   6.376  -4.265
  359   2HB   ALA  44          2HB       ALA  44  -8.324   4.712  -4.615
  360   3HB   ALA  44          1HB       ALA  44  -6.713   5.028  -3.992
  361    H    MET  45           H        MET  45  -9.176   4.307  -6.610
  362    HA   MET  45           HA       MET  45 -10.568   6.470  -7.992
  363   1HB   MET  45          1HB       MET  45  -9.945   3.639  -8.965
  364   2HB   MET  45          2HB       MET  45 -11.319   4.577  -9.535
  365   1HG   MET  45          2HG       MET  45  -9.752   6.401 -10.255
  366   2HG   MET  45          1HG       MET  45  -8.389   5.380  -9.792
  367   1HE   MET  45          2HE       MET  45  -7.746   3.162 -10.946
  368   2HE   MET  45          3HE       MET  45  -9.378   2.441 -10.915
  369   3HE   MET  45          1HE       MET  45  -8.480   2.545 -12.444
  370    CH2  TRP  46           CH2      TRP  46 -20.386   5.140  -5.453
  371    H    TRP  46           H        TRP  46 -12.934   6.023  -7.805
  372    HA   TRP  46           HA       TRP  46 -13.586   4.885  -5.261
  373   1HB   TRP  46          1HB       TRP  46 -14.814   6.728  -6.751
  374   2HB   TRP  46          2HB       TRP  46 -15.542   5.352  -7.523
  375    HD1  TRP  46           HD1      TRP  46 -15.069   6.312  -3.759
  376    HE1  TRP  46           HE1      TRP  46 -17.381   6.173  -2.603
  377    HE3  TRP  46           HE3      TRP  46 -17.873   5.144  -7.793
  378    HZ2  TRP  46           HZ2      TRP  46 -20.096   5.598  -3.360
  379    HZ3  TRP  46           HZ3      TRP  46 -20.356   4.775  -7.582
  380    HH2  TRP  46           HH2      TRP  46 -21.453   4.998  -5.363
  381    HA   PRO  47           HA       PRO  47 -15.131   3.641  -4.204
  382   1HB   PRO  47          1HB       PRO  47 -16.179   1.461  -3.143
  383   2HB   PRO  47          2HB       PRO  47 -16.902   2.142  -4.623
  384   1HG   PRO  47          1HG       PRO  47 -14.882  -0.127  -4.470
  385   2HG   PRO  47          2HG       PRO  47 -16.466  -0.137  -5.300
  386   1HD   PRO  47          1HD       PRO  47 -14.071   0.504  -6.567
  387   2HD   PRO  47          2HD       PRO  47 -15.646   1.183  -7.061
  388    OH   TYR  48           OH       TYR  48 -10.583  -2.670  -7.011
  389    H    TYR  48           H        TYR  48 -12.200   3.027  -4.799
  390    HA   TYR  48           HA       TYR  48 -11.440   1.448  -2.412
  391   1HB   TYR  48          1HB       TYR  48  -9.765   2.875  -4.503
  392   2HB   TYR  48          2HB       TYR  48  -9.147   1.961  -3.140
  393    HD1  TYR  48           HD1      TYR  48 -10.181  -0.574  -3.005
  394    HD2  TYR  48           HD2      TYR  48  -9.917   1.808  -6.593
  395    HE1  TYR  48           HE1      TYR  48 -10.545  -2.597  -4.386
  396    HE2  TYR  48           HE2      TYR  48 -10.219  -0.218  -7.961
  397    HH   TYR  48           HH       TYR  48 -10.559  -2.500  -7.955
  398    H    GLN  49           H        GLN  49  -9.848   2.306  -0.962
  399    HA   GLN  49           HA       GLN  49  -9.421   5.169  -0.895
  400   1HB   GLN  49          2HB       GLN  49 -11.522   4.624   0.609
  401   2HB   GLN  49          1HB       GLN  49 -10.320   3.825   1.645
  402   1HG   GLN  49          1HG       GLN  49  -9.213   6.390   1.069
  403   2HG   GLN  49          2HG       GLN  49 -10.929   6.670   1.316
  404   1HE2  GLN  49          2HE2      GLN  49  -8.547   5.951   4.509
  405   2HE2  GLN  49          1HE2      GLN  49  -7.875   6.092   2.904
  406    H    THR  50           H        THR  50  -7.507   5.514   0.216
  407    HA   THR  50           HA       THR  50  -6.019   3.161   1.268
  408    HB   THR  50           HB       THR  50  -5.362   3.498  -1.073
  409    HG1  THR  50           HG1      THR  50  -3.788   2.948   0.478
  410   1HG2  THR  50          2HG2      THR  50  -5.761   6.003  -1.233
  411   2HG2  THR  50          1HG2      THR  50  -4.265   6.184  -0.265
  412   3HG2  THR  50          3HG2      THR  50  -4.206   5.401  -1.864
  413    H    GLU  51           H        GLU  51  -4.042   3.739   2.276
  414    HA   GLU  51           HA       GLU  51  -3.990   6.372   3.655
  415   1HB   GLU  51          2HB       GLU  51  -4.130   5.642   5.847
  416   2HB   GLU  51          1HB       GLU  51  -5.460   4.814   5.030
  417   1HG   GLU  51          1HG       GLU  51  -3.856   2.810   4.793
  418   2HG   GLU  51          2HG       GLU  51  -2.739   3.746   5.791
  419    H    CYS  52           H        CYS  52  -1.902   6.804   4.676
  420    HA   CYS  52           HA       CYS  52   0.225   5.492   3.163
  421   1HB   CYS  52          1HB       CYS  52   0.647   7.964   4.796
  422   2HB   CYS  52          2HB       CYS  52   1.345   7.464   3.250
  423    H    CYS  53           H        CYS  53   2.350   5.411   4.219
  424    HA   CYS  53           HA       CYS  53   2.604   5.377   7.114
  425   1HB   CYS  53          2HB       CYS  53   3.230   3.072   7.398
  426   2HB   CYS  53          1HB       CYS  53   1.577   3.157   6.780
  427    H    LYS  54           H        LYS  54   4.996   4.789   7.688
  428    HA   LYS  54           HA       LYS  54   6.862   5.070   5.459
  429   1HB   LYS  54          1HB       LYS  54   8.172   6.489   7.130
  430   2HB   LYS  54          2HB       LYS  54   6.924   7.281   6.181
  431   1HG   LYS  54          2HG       LYS  54   5.402   7.244   8.142
  432   2HG   LYS  54          1HG       LYS  54   6.612   6.330   9.061
  433   1HD   LYS  54          2HD       LYS  54   6.729   8.648   9.720
  434   2HD   LYS  54          1HD       LYS  54   8.208   8.249   8.830
  435   1HE   LYS  54          2HE       LYS  54   7.343   9.380   6.821
  436   2HE   LYS  54          1HE       LYS  54   5.774   9.644   7.609
  437   1HZ   LYS  54          3HZ       LYS  54   8.344  10.772   8.470
  438   2HZ   LYS  54          1HZ       LYS  54   7.149  11.578   7.672
  439   3HZ   LYS  54          2HZ       LYS  54   6.889  11.026   9.201
  440    H    GLY  55           H        GLY  55   8.849   4.099   5.979
  441   1HA   GLY  55          1HA       GLY  55  10.238   2.860   7.599
  442   2HA   GLY  55          2HA       GLY  55   8.760   2.078   8.201
  443    H    ASP  56           H        ASP  56  11.300   1.180   6.475
  444    HA   ASP  56           HA       ASP  56  10.391   0.481   3.897
  445   1HB   ASP  56          2HB       ASP  56  12.504  -0.671   5.745
  446   2HB   ASP  56          1HB       ASP  56  12.230  -1.285   4.114
  447    NH1  ARG  57           NH1      ARG  57  10.557  -8.387   3.497
  448    NH2  ARG  57           NH2      ARG  57  10.725  -7.594   1.332
  449    H    ARG  57           H        ARG  57   9.120  -0.956   3.094
  450    HA   ARG  57           HA       ARG  57   7.233  -2.206   3.025
  451   1HB   ARG  57          1HB       ARG  57   7.515  -4.542   3.884
  452   2HB   ARG  57          2HB       ARG  57   8.672  -3.971   2.697
  453   1HG   ARG  57          2HG       ARG  57  10.399  -3.756   4.425
  454   2HG   ARG  57          1HG       ARG  57   9.210  -4.169   5.683
  455   1HD   ARG  57          1HD       ARG  57  10.622  -6.084   5.106
  456   2HD   ARG  57          2HD       ARG  57   8.913  -6.395   4.735
  457    HE   ARG  57           HE       ARG  57  10.160  -5.385   2.391
  458   1HH1  ARG  57          2HH1      ARG  57  10.373  -8.218   4.474
  459   2HH1  ARG  57          1HH1      ARG  57  10.800  -9.318   3.192
  460   1HH2  ARG  57          2HH2      ARG  57  10.595  -6.862   0.636
  461   2HH2  ARG  57          1HH2      ARG  57  10.992  -8.510   1.007
  462    H    CYS  58           H        CYS  58   7.017  -0.169   4.993
  463    HA   CYS  58           HA       CYS  58   5.863  -1.123   7.376
  464   1HB   CYS  58          1HB       CYS  58   4.759   1.048   7.479
  465   2HB   CYS  58          2HB       CYS  58   6.472   1.172   7.126
  466    H    ASN  59           H        ASN  59   4.533  -0.941   4.073
  467    HA   ASN  59           HA       ASN  59   1.779  -1.421   4.983
  468   1HB   ASN  59          1HB       ASN  59   1.377  -1.555   2.527
  469   2HB   ASN  59          2HB       ASN  59   1.921   0.014   3.128
  470   1HD2  ASN  59          1HD2      ASN  59   3.554  -0.383  -0.061
  471   2HD2  ASN  59          2HD2      ASN  59   2.076   0.171   0.599
  472    H    LYS  60           H        LYS  60   2.783  -3.149   6.240
  473    HA   LYS  60           HA       LYS  60   3.734  -5.580   5.092
  474   1HB   LYS  60          1HB       LYS  60   2.585  -4.947   7.841
  475   2HB   LYS  60          2HB       LYS  60   3.323  -6.496   7.387
  476   1HG   LYS  60          1HG       LYS  60   5.415  -5.318   6.757
  477   2HG   LYS  60          2HG       LYS  60   4.689  -3.788   7.297
  478   1HD   LYS  60          2HD       LYS  60   4.593  -4.525   9.583
  479   2HD   LYS  60          1HD       LYS  60   5.022  -6.186   9.136
  480   1HE   LYS  60          2HE       LYS  60   6.957  -4.927  10.100
  481   2HE   LYS  60          1HE       LYS  60   7.259  -5.522   8.458
  482   1HZ   LYS  60          3HZ       LYS  60   6.465  -2.777   9.129
  483   2HZ   LYS  60          1HZ       LYS  60   7.991  -3.272   8.747
  484   3HZ   LYS  60          2HZ       LYS  60   6.796  -3.356   7.619
   
  Start of MODEL          18
 Raw file had  484 H/Q atoms
  Start of MODEL   18
    1    NH1  ARG   1           NH2      ARG   1  10.389   5.457   4.237
    2    NH2  ARG   1           NH1      ARG   1   8.629   4.828   2.923
    3   1H    ARG   1          1H        ARG   1  11.443   4.131  -0.531
    4   2H    ARG   1          3H        ARG   1  11.056   4.176   1.074
    5   3H    ARG   1          2H        ARG   1  12.233   5.148   0.461
    6    HA   ARG   1           HA       ARG   1  13.520   3.015  -0.120
    7   1HB   ARG   1          1HB       ARG   1  14.022   2.254   2.189
    8   2HB   ARG   1          2HB       ARG   1  14.364   3.879   1.702
    9   1HG   ARG   1          2HG       ARG   1  13.663   3.855   3.937
   10   2HG   ARG   1          1HG       ARG   1  12.594   4.843   2.959
   11   1HD   ARG   1          1HD       ARG   1  11.904   1.945   3.642
   12   2HD   ARG   1          2HD       ARG   1  11.677   3.195   4.833
   13    HE   ARG   1           HE       ARG   1   9.917   2.656   2.681
   14   1HH1  ARG   1          2HH2      ARG   1  11.278   5.278   4.677
   15   2HH1  ARG   1          1HH2      ARG   1   9.921   6.348   4.382
   16   1HH2  ARG   1          1HH1      ARG   1   8.147   4.184   2.317
   17   2HH2  ARG   1          2HH1      ARG   1   8.212   5.724   3.146
   18    H    ILE   2           H        ILE   2  12.659   1.004   1.989
   19    HA   ILE   2           HA       ILE   2  11.618  -0.838   0.063
   20    HB   ILE   2           HB       ILE   2  11.857  -0.968   3.101
   21   1HG1  ILE   2          1HG1      ILE   2  13.983  -0.809   1.690
   22   2HG1  ILE   2          2HG1      ILE   2  13.854  -2.158   2.818
   23   1HG2  ILE   2          3HG2      ILE   2  11.071  -3.174   1.147
   24   2HG2  ILE   2          2HG2      ILE   2  11.643  -3.464   2.808
   25   3HG2  ILE   2          1HG2      ILE   2  10.152  -2.571   2.531
   26   1HD1  ILE   2          2HD1      ILE   2  13.154  -2.425  -0.126
   27   2HD1  ILE   2          3HD1      ILE   2  14.759  -2.762   0.557
   28   3HD1  ILE   2          1HD1      ILE   2  13.363  -3.724   1.066
   29    H    CYS   3           H        CYS   3   9.553  -1.160  -0.596
   30    HA   CYS   3           HA       CYS   3   7.290  -0.669   1.261
   31   1HB   CYS   3          2HB       CYS   3   7.494   0.451  -1.568
   32   2HB   CYS   3          1HB       CYS   3   6.065   0.489  -0.540
   33    OH   TYR   4           OH       TYR   4   6.915  -7.441   4.355
   34    H    TYR   4           H        TYR   4   5.432  -1.895   0.717
   35    HA   TYR   4           HA       TYR   4   5.937  -4.198  -1.068
   36   1HB   TYR   4          2HB       TYR   4   3.754  -3.473   0.905
   37   2HB   TYR   4          1HB       TYR   4   3.720  -4.891  -0.135
   38    HD1  TYR   4           HD1      TYR   4   7.128  -4.688   0.766
   39    HD2  TYR   4           HD2      TYR   4   3.237  -5.626   2.395
   40    HE1  TYR   4           HE1      TYR   4   8.173  -6.177   2.398
   41    HE2  TYR   4           HE2      TYR   4   4.322  -7.055   4.106
   42    HH   TYR   4           HH       TYR   4   7.867  -7.496   4.253
   43    H    SER   5           H        SER   5   4.246  -4.740  -2.663
   44    HA   SER   5           HA       SER   5   2.552  -2.447  -3.548
   45   1HB   SER   5          1HB       SER   5   4.599  -3.897  -5.268
   46   2HB   SER   5          2HB       SER   5   3.418  -2.687  -5.834
   47    HG   SER   5           HG       SER   5   4.663  -1.652  -3.737
   48    H    HIS   6           H        HIS   6   3.205  -5.892  -3.530
   49    HA   HIS   6           HA       HIS   6   1.344  -6.935  -5.239
   50   1HB   HIS   6          1HB       HIS   6   1.365  -8.883  -3.637
   51   2HB   HIS   6          2HB       HIS   6   2.969  -8.267  -3.997
   52    HD1  HIS   6           HD1      HIS   6   0.600  -6.791  -1.334
   53    HD2  HIS   6           HD2      HIS   6   4.207  -8.913  -1.634
   54    HE1  HIS   6           HE1      HIS   6   1.599  -6.900   0.986
   55    H    LYS   7           H        LYS   7  -0.633  -8.078  -4.854
   56    HA   LYS   7           HA       LYS   7  -2.642  -6.526  -3.446
   57   1HB   LYS   7          2HB       LYS   7  -4.169  -8.411  -4.090
   58   2HB   LYS   7          1HB       LYS   7  -3.370  -7.578  -5.405
   59   1HG   LYS   7          2HG       LYS   7  -3.444  -9.875  -5.946
   60   2HG   LYS   7          1HG       LYS   7  -1.777  -9.427  -5.718
   61   1HD   LYS   7          2HD       LYS   7  -2.204 -11.629  -4.796
   62   2HD   LYS   7          1HD       LYS   7  -1.748 -10.544  -3.497
   63   1HE   LYS   7          2HE       LYS   7  -3.603 -12.027  -2.842
   64   2HE   LYS   7          1HE       LYS   7  -4.147 -10.352  -2.818
   65   1HZ   LYS   7          2HZ       LYS   7  -4.629 -12.258  -4.995
   66   2HZ   LYS   7          3HZ       LYS   7  -5.723 -11.796  -3.852
   67   3HZ   LYS   7          1HZ       LYS   7  -5.161 -10.697  -4.941
   68    H    ALA   8           H        ALA   8  -4.026  -7.795  -1.759
   69    HA   ALA   8           HA       ALA   8  -2.884  -8.227   0.630
   70   1HB   ALA   8          3HB       ALA   8  -5.302  -8.330   0.192
   71   2HB   ALA   8          1HB       ALA   8  -5.116  -9.960  -0.490
   72   3HB   ALA   8          2HB       ALA   8  -4.769  -9.669   1.229
   73    H    SER   9           H        SER   9  -0.812  -9.126   0.649
   74    HA   SER   9           HA       SER   9  -0.557 -12.011   1.013
   75   1HB   SER   9          2HB       SER   9   0.945 -12.450  -0.785
   76   2HB   SER   9          1HB       SER   9  -0.571 -11.866  -1.450
   77    HG   SER   9           HG       SER   9   0.360  -9.790  -1.622
   78    H    LEU  10           H        LEU  10   2.250 -11.278   0.160
   79    HA   LEU  10           HA       LEU  10   3.372  -9.636   2.181
   80   1HB   LEU  10          2HB       LEU  10   2.722 -11.148   3.839
   81   2HB   LEU  10          1HB       LEU  10   3.168 -12.560   2.915
   82    HG   LEU  10           HG       LEU  10   5.600 -11.920   3.189
   83   1HD1  LEU  10          1HD2      LEU  10   4.436  -9.716   4.954
   84   2HD1  LEU  10          3HD2      LEU  10   6.150 -10.176   4.877
   85   3HD1  LEU  10          2HD2      LEU  10   5.359  -9.487   3.454
   86   1HD2  LEU  10          3HD1      LEU  10   4.501 -13.482   4.750
   87   2HD2  LEU  10          1HD1      LEU  10   5.721 -12.495   5.574
   88   3HD2  LEU  10          2HD1      LEU  10   3.996 -12.118   5.771
   89    HA   PRO  11           HA       PRO  11   6.821 -11.559  -0.384
   90   1HB   PRO  11          2HB       PRO  11   6.597 -13.938  -1.688
   91   2HB   PRO  11          1HB       PRO  11   6.933 -13.852   0.061
   92   1HG   PRO  11          2HG       PRO  11   4.232 -14.224  -1.293
   93   2HG   PRO  11          1HG       PRO  11   4.940 -15.234   0.004
   94   1HD   PRO  11          2HD       PRO  11   3.185 -13.212   0.567
   95   2HD   PRO  11          1HD       PRO  11   4.599 -13.532   1.621
   96    NH1  ARG  12           NH2      ARG  12   4.282 -14.426  -8.459
   97    NH2  ARG  12           NH1      ARG  12   3.592 -13.387 -10.411
   98    H    ARG  12           H        ARG  12   7.276 -11.731  -2.737
   99    HA   ARG  12           HA       ARG  12   6.880 -11.638  -4.958
  100   1HB   ARG  12          2HB       ARG  12   4.541 -12.610  -4.496
  101   2HB   ARG  12          1HB       ARG  12   3.935 -10.955  -4.599
  102   1HG   ARG  12          2HG       ARG  12   5.005 -10.856  -6.941
  103   2HG   ARG  12          1HG       ARG  12   5.452 -12.550  -6.721
  104   1HD   ARG  12          1HD       ARG  12   3.020 -13.127  -6.438
  105   2HD   ARG  12          2HD       ARG  12   2.615 -11.424  -6.625
  106    HE   ARG  12           HE       ARG  12   2.859 -11.559  -8.882
  107   1HH1  ARG  12          2HH2      ARG  12   4.382 -14.408  -7.456
  108   2HH1  ARG  12          1HH2      ARG  12   4.612 -15.226  -8.978
  109   1HH2  ARG  12          2HH1      ARG  12   3.166 -12.599 -10.877
  110   2HH2  ARG  12          1HH1      ARG  12   3.916 -14.169 -10.960
  111    H    ALA  13           H        ALA  13   4.624  -9.350  -5.563
  112    HA   ALA  13           HA       ALA  13   6.529  -7.445  -6.299
  113   1HB   ALA  13          1HB       ALA  13   4.350  -7.634  -7.351
  114   2HB   ALA  13          2HB       ALA  13   3.545  -7.099  -5.869
  115   3HB   ALA  13          3HB       ALA  13   4.606  -5.987  -6.749
  116    H    THR  14           H        THR  14   7.898  -6.742  -4.828
  117    HA   THR  14           HA       THR  14   7.051  -4.786  -2.841
  118    HB   THR  14           HB       THR  14   8.701  -5.859  -1.239
  119    HG1  THR  14           HG1      THR  14   8.482  -8.061  -3.048
  120   1HG2  THR  14          3HG2      THR  14   6.189  -6.387  -1.060
  121   2HG2  THR  14          1HG2      THR  14   6.506  -7.864  -1.970
  122   3HG2  THR  14          2HG2      THR  14   7.271  -7.622  -0.398
  123    H    LYS  15           H        LYS  15   8.835  -3.157  -2.658
  124    HA   LYS  15           HA       LYS  15  11.215  -3.642  -4.321
  125   1HB   LYS  15          1HB       LYS  15  10.728  -1.678  -5.792
  126   2HB   LYS  15          2HB       LYS  15   9.681  -3.066  -6.055
  127   1HG   LYS  15          2HG       LYS  15   7.851  -1.940  -4.746
  128   2HG   LYS  15          1HG       LYS  15   8.959  -0.614  -4.387
  129   1HD   LYS  15          1HD       LYS  15   7.779   0.297  -6.109
  130   2HD   LYS  15          2HD       LYS  15   9.152  -0.355  -6.999
  131   1HE   LYS  15          2HE       LYS  15   6.358  -1.587  -6.708
  132   2HE   LYS  15          1HE       LYS  15   7.003  -0.774  -8.139
  133   1HZ   LYS  15          3HZ       LYS  15   8.664  -2.518  -8.271
  134   2HZ   LYS  15          2HZ       LYS  15   7.954  -3.299  -7.002
  135   3HZ   LYS  15          1HZ       LYS  15   7.126  -3.096  -8.408
  136    H    THR  16           H        THR  16  12.677  -1.871  -4.392
  137    HA   THR  16           HA       THR  16  12.763  -0.314  -1.853
  138    HB   THR  16           HB       THR  16  15.027  -1.024  -3.770
  139    HG1  THR  16           HG1      THR  16  14.060  -2.861  -2.737
  140   1HG2  THR  16          1HG2      THR  16  14.999  -0.028  -0.877
  141   2HG2  THR  16          3HG2      THR  16  16.439  -0.453  -1.821
  142   3HG2  THR  16          2HG2      THR  16  15.458   0.943  -2.297
  143    H    CYS  17           H        CYS  17  11.452   1.431  -2.561
  144    HA   CYS  17           HA       CYS  17  12.187   2.817  -5.115
  145   1HB   CYS  17          1HB       CYS  17   9.757   2.671  -3.386
  146   2HB   CYS  17          2HB       CYS  17  10.180   4.232  -4.134
  147    H    VAL  18           H        VAL  18  12.545   5.053  -5.068
  148    HA   VAL  18           HA       VAL  18  14.369   6.041  -3.172
  149    HB   VAL  18           HB       VAL  18  13.765   8.242  -4.367
  150   1HG1  VAL  18          3HG1      VAL  18  15.737   6.854  -4.948
  151   2HG1  VAL  18          2HG1      VAL  18  14.729   5.850  -6.012
  152   3HG1  VAL  18          1HG1      VAL  18  15.021   7.556  -6.408
  153   1HG2  VAL  18          1HG2      VAL  18  11.503   7.600  -5.179
  154   2HG2  VAL  18          2HG2      VAL  18  12.591   8.218  -6.425
  155   3HG2  VAL  18          3HG2      VAL  18  12.267   6.487  -6.337
  156    H    GLU  19           H        GLU  19  10.889   6.377  -3.117
  157    HA   GLU  19           HA       GLU  19  10.484   8.876  -2.049
  158   1HB   GLU  19          1HB       GLU  19   8.663   6.908  -1.017
  159   2HB   GLU  19          2HB       GLU  19   8.277   8.136  -2.223
  160   1HG   GLU  19          2HG       GLU  19   7.682   6.266  -3.239
  161   2HG   GLU  19          1HG       GLU  19   9.276   6.238  -3.850
  162    H    ASN  20           H        ASN  20   9.563   9.403   0.000
  163    HA   ASN  20           HA       ASN  20  10.925   8.200   2.332
  164   1HB   ASN  20          1HB       ASN  20  10.308  10.129   3.496
  165   2HB   ASN  20          2HB       ASN  20  10.761  10.745   1.901
  166   1HD2  ASN  20          1HD2      ASN  20   7.249  11.841   3.318
  167   2HD2  ASN  20          2HD2      ASN  20   8.740  11.560   4.192
  168    H    THR  21           H        THR  21   7.870   8.094   0.576
  169    HA   THR  21           HA       THR  21   6.497   6.834   2.887
  170    HB   THR  21           HB       THR  21   4.478   7.727   1.507
  171    HG1  THR  21           HG1      THR  21   6.437   9.663   0.802
  172   1HG2  THR  21          2HG2      THR  21   6.251   9.528   3.201
  173   2HG2  THR  21          3HG2      THR  21   4.580   9.909   2.729
  174   3HG2  THR  21          1HG2      THR  21   4.915   8.498   3.748
  175    H    CYS  22           H        CYS  22   5.064   5.234   2.505
  176    HA   CYS  22           HA       CYS  22   5.004   3.894  -0.148
  177   1HB   CYS  22          1HB       CYS  22   4.492   2.482   2.479
  178   2HB   CYS  22          2HB       CYS  22   4.747   1.832   0.866
  179    OH   TYR  23           OH       TYR  23  -0.025   2.536  -6.030
  180    H    TYR  23           H        TYR  23   2.831   3.115  -0.552
  181    HA   TYR  23           HA       TYR  23   0.749   4.070   1.383
  182   1HB   TYR  23          1HB       TYR  23  -0.755   4.474  -0.377
  183   2HB   TYR  23          2HB       TYR  23   0.747   5.313  -0.678
  184    HD1  TYR  23           HD2      TYR  23   2.193   4.577  -2.632
  185    HD2  TYR  23           HD1      TYR  23  -1.502   2.556  -1.731
  186    HE1  TYR  23           HE2      TYR  23   1.918   4.002  -5.028
  187    HE2  TYR  23           HE1      TYR  23  -1.694   1.848  -4.087
  188    HH   TYR  23           HH       TYR  23  -0.741   1.917  -6.187
  189    H    LYS  24           H        LYS  24  -1.144   3.016   1.378
  190    HA   LYS  24           HA       LYS  24  -1.169   0.144   0.643
  191   1HB   LYS  24          1HB       LYS  24  -2.380  -0.195   2.905
  192   2HB   LYS  24          2HB       LYS  24  -0.605  -0.121   2.868
  193   1HG   LYS  24          1HG       LYS  24  -0.524   2.017   3.844
  194   2HG   LYS  24          2HG       LYS  24  -2.202   2.364   3.426
  195   1HD   LYS  24          1HD       LYS  24  -1.989   2.030   5.803
  196   2HD   LYS  24          2HD       LYS  24  -3.043   0.805   5.097
  197   1HE   LYS  24          1HE       LYS  24  -0.101   0.339   5.797
  198   2HE   LYS  24          2HE       LYS  24  -1.438   0.031   6.905
  199   1HZ   LYS  24          3HZ       LYS  24  -2.355  -1.513   5.380
  200   2HZ   LYS  24          1HZ       LYS  24  -1.135  -1.286   4.307
  201   3HZ   LYS  24          2HZ       LYS  24  -0.824  -1.973   5.749
  202    H    MET  25           H        MET  25  -3.094  -0.388  -0.264
  203    HA   MET  25           HA       MET  25  -5.261   1.667  -0.316
  204   1HB   MET  25          2HB       MET  25  -3.942   1.636  -2.362
  205   2HB   MET  25          1HB       MET  25  -4.311  -0.084  -2.510
  206   1HG   MET  25          1HG       MET  25  -6.628   0.347  -2.897
  207   2HG   MET  25          2HG       MET  25  -6.496   2.005  -2.308
  208   1HE   MET  25          2HE       MET  25  -5.852  -0.434  -5.246
  209   2HE   MET  25          1HE       MET  25  -5.098   0.617  -6.464
  210   3HE   MET  25          3HE       MET  25  -4.188   0.167  -5.004
  211    H    PHE  26           H        PHE  26  -7.359   0.987  -0.057
  212    HA   PHE  26           HA       PHE  26  -7.958  -1.907  -0.045
  213   1HB   PHE  26          1HB       PHE  26  -9.267  -1.467   2.127
  214   2HB   PHE  26          2HB       PHE  26  -7.528  -1.666   2.214
  215    HD1  PHE  26           HD1      PHE  26 -10.173   0.999   2.214
  216    HD2  PHE  26           HD2      PHE  26  -6.096  -0.064   3.137
  217    HE1  PHE  26           HE1      PHE  26  -9.977   2.987   3.692
  218    HE2  PHE  26           HE2      PHE  26  -5.906   1.921   4.577
  219    HZ   PHE  26           HZ       PHE  26  -7.810   3.505   4.800
  220    H    ILE  27           H        ILE  27 -10.150  -2.380  -0.407
  221    HA   ILE  27           HA       ILE  27 -11.631  -0.363  -1.888
  222    HB   ILE  27           HB       ILE  27 -12.410  -3.084  -0.769
  223   1HG1  ILE  27          2HG1      ILE  27 -11.756  -2.048  -3.579
  224   2HG1  ILE  27          1HG1      ILE  27 -10.707  -3.053  -2.570
  225   1HG2  ILE  27          1HG2      ILE  27 -14.423  -1.625  -0.944
  226   2HG2  ILE  27          2HG2      ILE  27 -14.000  -1.253  -2.627
  227   3HG2  ILE  27          3HG2      ILE  27 -14.458  -2.901  -2.140
  228   1HD1  ILE  27          3HD1      ILE  27 -12.503  -4.826  -2.586
  229   2HD1  ILE  27          1HD1      ILE  27 -13.355  -3.855  -3.817
  230   3HD1  ILE  27          2HD1      ILE  27 -11.738  -4.488  -4.157
  231    NH1  ARG  28           NH2      ARG  28 -19.255   3.835   0.933
  232    NH2  ARG  28           NH1      ARG  28 -19.078   1.557   0.537
  233    H    ARG  28           H        ARG  28 -13.051   1.113  -1.054
  234    HA   ARG  28           HA       ARG  28 -12.843   1.905   1.648
  235   1HB   ARG  28          1HB       ARG  28 -13.609   3.354  -0.226
  236   2HB   ARG  28          2HB       ARG  28 -15.107   2.436  -0.319
  237   1HG   ARG  28          1HG       ARG  28 -14.771   3.291   2.438
  238   2HG   ARG  28          2HG       ARG  28 -14.380   4.664   1.419
  239   1HD   ARG  28          1HD       ARG  28 -16.769   4.551   2.127
  240   2HD   ARG  28          2HD       ARG  28 -16.544   4.631   0.372
  241    HE   ARG  28           HE       ARG  28 -16.692   1.895   1.093
  242   1HH1  ARG  28          2HH2      ARG  28 -18.813   4.712   1.162
  243   2HH1  ARG  28          1HH2      ARG  28 -20.246   3.814   0.745
  244   1HH2  ARG  28          1HH1      ARG  28 -18.491   0.742   0.378
  245   2HH2  ARG  28          2HH1      ARG  28 -20.073   1.483   0.385
  246    H    THR  29           H        THR  29 -15.431   0.055   0.060
  247    HA   THR  29           HA       THR  29 -17.105  -0.351   2.267
  248    HB   THR  29           HB       THR  29 -16.657  -2.336   0.003
  249    HG1  THR  29           HG1      THR  29 -17.797  -0.923  -1.303
  250   1HG2  THR  29          3HG2      THR  29 -19.182  -1.300   1.392
  251   2HG2  THR  29          1HG2      THR  29 -19.142  -2.466   0.053
  252   3HG2  THR  29          2HG2      THR  29 -18.453  -2.901   1.623
  253    H    HIS  30           H        HIS  30 -13.956  -1.750   1.665
  254    HA   HIS  30           HA       HIS  30 -14.314  -3.691   3.890
  255   1HB   HIS  30          1HB       HIS  30 -12.805  -4.227   1.303
  256   2HB   HIS  30          2HB       HIS  30 -12.979  -5.319   2.679
  257    HD1  HIS  30           HD1      HIS  30 -16.239  -4.528   2.819
  258    HD2  HIS  30           HD2      HIS  30 -14.053  -6.135  -0.380
  259    HE1  HIS  30           HE1      HIS  30 -17.882  -5.750   1.315
  260    NH1  ARG  31           NH1      ARG  31 -16.309   2.795   6.781
  261    NH2  ARG  31           NH2      ARG  31 -16.496   2.225   4.533
  262    H    ARG  31           H        ARG  31 -13.498  -1.178   4.377
  263    HA   ARG  31           HA       ARG  31 -10.872  -0.503   3.922
  264   1HB   ARG  31          1HB       ARG  31 -11.110   0.891   5.974
  265   2HB   ARG  31          2HB       ARG  31 -12.434   1.018   4.831
  266   1HG   ARG  31          1HG       ARG  31 -13.545  -0.875   6.446
  267   2HG   ARG  31          2HG       ARG  31 -12.377  -0.223   7.588
  268   1HD   ARG  31          1HD       ARG  31 -14.544   0.883   7.804
  269   2HD   ARG  31          2HD       ARG  31 -13.364   2.062   7.182
  270    HE   ARG  31           HE       ARG  31 -14.487   0.919   4.909
  271   1HH1  ARG  31          2HH1      ARG  31 -15.803   2.720   7.650
  272   2HH1  ARG  31          1HH1      ARG  31 -17.138   3.368   6.734
  273   1HH2  ARG  31          2HH2      ARG  31 -16.097   1.721   3.747
  274   2HH2  ARG  31          1HH2      ARG  31 -17.332   2.776   4.410
  275    H    GLU  32           H        GLU  32 -12.070  -2.711   6.408
  276    HA   GLU  32           HA       GLU  32  -9.420  -3.033   7.622
  277   1HB   GLU  32          2HB       GLU  32 -11.712  -3.150   8.789
  278   2HB   GLU  32          1HB       GLU  32 -11.879  -4.767   8.081
  279   1HG   GLU  32          2HG       GLU  32  -9.790  -5.461   9.267
  280   2HG   GLU  32          1HG       GLU  32  -9.605  -3.816   9.894
  281    OH   TYR  33           OH       TYR  33  -7.838  -9.417  -0.721
  282    H    TYR  33           H        TYR  33  -9.188  -3.495   4.915
  283    HA   TYR  33           HA       TYR  33  -8.071  -6.164   4.833
  284   1HB   TYR  33          1HB       TYR  33 -10.339  -6.772   4.245
  285   2HB   TYR  33          2HB       TYR  33 -10.457  -5.434   3.107
  286    HD1  TYR  33           HD1      TYR  33  -8.344  -8.495   3.710
  287    HD2  TYR  33           HD2      TYR  33 -10.116  -5.811   0.838
  288    HE1  TYR  33           HE1      TYR  33  -7.478  -9.897   1.864
  289    HE2  TYR  33           HE2      TYR  33  -9.226  -7.201  -1.008
  290    HH   TYR  33           HH       TYR  33  -7.407 -10.218  -0.418
  291    H    ILE  34           H        ILE  34  -6.076  -5.392   4.240
  292    HA   ILE  34           HA       ILE  34  -5.815  -3.074   2.482
  293    HB   ILE  34           HB       ILE  34  -3.648  -5.003   3.390
  294   1HG1  ILE  34          1HG1      ILE  34  -4.705  -4.255   5.415
  295   2HG1  ILE  34          2HG1      ILE  34  -3.169  -3.439   5.208
  296   1HG2  ILE  34          1HG2      ILE  34  -3.622  -2.095   2.438
  297   2HG2  ILE  34          2HG2      ILE  34  -2.203  -3.015   2.995
  298   3HG2  ILE  34          3HG2      ILE  34  -3.061  -3.487   1.522
  299   1HD1  ILE  34          2HD1      ILE  34  -4.376  -1.381   4.437
  300   2HD1  ILE  34          3HD1      ILE  34  -5.926  -2.226   4.672
  301   3HD1  ILE  34          1HD1      ILE  34  -4.871  -1.900   6.052
  302    H    SER  35           H        SER  35  -6.366  -3.339   0.445
  303    HA   SER  35           HA       SER  35  -6.572  -6.005  -0.742
  304   1HB   SER  35          1HB       SER  35  -7.223  -3.279  -1.930
  305   2HB   SER  35          2HB       SER  35  -7.807  -4.860  -2.469
  306    HG   SER  35           HG       SER  35  -8.323  -4.302   0.209
  307    H    GLU  36           H        GLU  36  -4.872  -2.907  -1.441
  308    HA   GLU  36           HA       GLU  36  -2.776  -4.345  -2.979
  309   1HB   GLU  36          2HB       GLU  36  -4.532  -2.058  -3.947
  310   2HB   GLU  36          1HB       GLU  36  -2.872  -2.224  -4.516
  311   1HG   GLU  36          1HG       GLU  36  -4.215  -3.276  -6.141
  312   2HG   GLU  36          2HG       GLU  36  -3.327  -4.531  -5.270
  313    NH1  ARG  37           NH2      ARG  37  -1.458  -5.813   1.923
  314    NH2  ARG  37           NH1      ARG  37  -2.478  -5.781  -0.145
  315    H    ARG  37           H        ARG  37  -0.955  -2.670  -3.417
  316    HA   ARG  37           HA       ARG  37  -0.640  -0.647  -1.295
  317   1HB   ARG  37          1HB       ARG  37   0.935  -3.240  -1.583
  318   2HB   ARG  37          2HB       ARG  37   1.718  -1.795  -0.956
  319   1HG   ARG  37          1HG       ARG  37   0.818  -1.846   1.009
  320   2HG   ARG  37          2HG       ARG  37  -0.778  -2.305   0.465
  321   1HD   ARG  37          2HD       ARG  37   1.554  -4.255   0.617
  322   2HD   ARG  37          1HD       ARG  37   0.341  -4.021   1.865
  323    HE   ARG  37           HE       ARG  37  -0.346  -4.838  -0.951
  324   1HH1  ARG  37          1HH2      ARG  37  -0.677  -5.606   2.558
  325   2HH1  ARG  37          2HH2      ARG  37  -2.277  -6.239   2.326
  326   1HH2  ARG  37          2HH1      ARG  37  -2.464  -5.574  -1.133
  327   2HH2  ARG  37          1HH1      ARG  37  -3.335  -6.133   0.272
  328    H    GLY  38           H        GLY  38   1.601   0.405  -1.598
  329   1HA   GLY  38          2HA       GLY  38   3.058  -0.107  -3.976
  330   2HA   GLY  38          1HA       GLY  38   1.949   1.183  -4.357
  331    H    CYS  39           H        CYS  39   4.266   1.870  -4.785
  332    HA   CYS  39           HA       CYS  39   5.864   2.903  -2.625
  333   1HB   CYS  39          1HB       CYS  39   7.109   1.858  -4.188
  334   2HB   CYS  39          2HB       CYS  39   6.027   2.246  -5.482
  335    H    GLY  40           H        GLY  40   6.066   5.218  -2.083
  336   1HA   GLY  40          1HA       GLY  40   5.637   7.345  -2.053
  337   2HA   GLY  40          2HA       GLY  40   5.447   7.380  -3.759
  338    H    CYS  41           H        CYS  41   4.117   8.031  -1.102
  339    HA   CYS  41           HA       CYS  41   1.462   7.501  -0.840
  340   1HB   CYS  41          1HB       CYS  41   2.716   8.898   0.703
  341   2HB   CYS  41          2HB       CYS  41   2.751  10.223  -0.468
  342    HA   PRO  42           HA       PRO  42  -0.432   9.751  -4.428
  343   1HB   PRO  42          2HB       PRO  42  -1.699   7.737  -5.581
  344   2HB   PRO  42          1HB       PRO  42   0.047   7.546  -5.319
  345   1HG   PRO  42          2HG       PRO  42  -2.180   6.517  -3.521
  346   2HG   PRO  42          1HG       PRO  42  -0.824   5.599  -4.224
  347   1HD   PRO  42          1HD       PRO  42  -0.803   6.866  -1.685
  348   2HD   PRO  42          2HD       PRO  42   0.646   6.419  -2.632
  349    H    THR  43           H        THR  43  -3.111   8.851  -4.989
  350    HA   THR  43           HA       THR  43  -4.732   8.935  -2.589
  351    HB   THR  43           HB       THR  43  -5.113  11.086  -4.716
  352    HG1  THR  43           HG1      THR  43  -3.507  11.023  -2.454
  353   1HG2  THR  43          1HG2      THR  43  -6.318  10.691  -1.937
  354   2HG2  THR  43          2HG2      THR  43  -6.518  12.144  -2.932
  355   3HG2  THR  43          3HG2      THR  43  -7.182  10.609  -3.495
  356    H    ALA  44           H        ALA  44  -7.079   8.492  -3.332
  357    HA   ALA  44           HA       ALA  44  -7.406   7.408  -6.014
  358   1HB   ALA  44          1HB       ALA  44  -6.340   5.493  -4.807
  359   2HB   ALA  44          3HB       ALA  44  -7.617   5.594  -3.566
  360   3HB   ALA  44          2HB       ALA  44  -8.026   5.153  -5.234
  361    H    MET  45           H        MET  45  -9.753   6.585  -6.192
  362    HA   MET  45           HA       MET  45 -11.587   8.104  -4.432
  363   1HB   MET  45          1HB       MET  45 -11.447   7.750  -7.465
  364   2HB   MET  45          2HB       MET  45 -12.884   8.311  -6.621
  365   1HG   MET  45          1HG       MET  45 -10.167   9.679  -6.526
  366   2HG   MET  45          2HG       MET  45 -11.516  10.180  -7.538
  367   1HE   MET  45          2HE       MET  45 -13.531  11.515  -6.808
  368   2HE   MET  45          1HE       MET  45 -14.094  10.166  -5.788
  369   3HE   MET  45          3HE       MET  45 -14.001  11.809  -5.118
  370    CH2  TRP  46           CH2      TRP  46 -20.662   3.493  -4.000
  371    H    TRP  46           H        TRP  46 -13.816   7.260  -4.635
  372    HA   TRP  46           HA       TRP  46 -13.973   4.623  -3.806
  373   1HB   TRP  46          1HB       TRP  46 -15.641   6.650  -3.614
  374   2HB   TRP  46          2HB       TRP  46 -16.225   6.113  -5.170
  375    HD1  TRP  46           HD1      TRP  46 -15.398   4.145  -1.914
  376    HE1  TRP  46           HE1      TRP  46 -17.436   2.653  -1.330
  377    HE3  TRP  46           HE3      TRP  46 -18.553   5.761  -5.490
  378    HZ2  TRP  46           HZ2      TRP  46 -20.122   2.274  -2.296
  379    HZ3  TRP  46           HZ3      TRP  46 -20.900   4.845  -5.668
  380    HH2  TRP  46           HH2      TRP  46 -21.667   3.103  -4.070
  381    HA   PRO  47           HA       PRO  47 -15.462   2.533  -4.144
  382   1HB   PRO  47          1HB       PRO  47 -14.757   0.015  -4.666
  383   2HB   PRO  47          2HB       PRO  47 -16.087   0.830  -5.530
  384   1HG   PRO  47          1HG       PRO  47 -13.211   0.570  -6.477
  385   2HG   PRO  47          2HG       PRO  47 -14.695   0.110  -7.368
  386   1HD   PRO  47          2HD       PRO  47 -13.532   2.544  -7.742
  387   2HD   PRO  47          1HD       PRO  47 -15.310   2.399  -7.681
  388    OH   TYR  48           OH       TYR  48  -8.184  -2.654  -6.399
  389    H    TYR  48           H        TYR  48 -12.169   3.186  -5.056
  390    HA   TYR  48           HA       TYR  48 -11.060   1.550  -2.843
  391   1HB   TYR  48          1HB       TYR  48  -9.886   3.110  -5.160
  392   2HB   TYR  48          2HB       TYR  48  -8.907   2.687  -3.761
  393    HD1  TYR  48           HD2      TYR  48  -9.050   0.178  -2.958
  394    HD2  TYR  48           HD1      TYR  48  -9.862   1.534  -6.964
  395    HE1  TYR  48           HE2      TYR  48  -8.355  -2.023  -3.833
  396    HE2  TYR  48           HE1      TYR  48  -9.141  -0.673  -7.845
  397    HH   TYR  48           HH       TYR  48  -7.716  -3.170  -5.731
  398    H    GLN  49           H        GLN  49  -9.613   2.457  -1.352
  399    HA   GLN  49           HA       GLN  49  -9.573   5.354  -0.975
  400   1HB   GLN  49          2HB       GLN  49 -11.419   4.030   0.500
  401   2HB   GLN  49          1HB       GLN  49  -9.960   3.626   1.422
  402   1HG   GLN  49          2HG       GLN  49 -10.916   6.447   0.791
  403   2HG   GLN  49          1HG       GLN  49 -11.182   5.595   2.317
  404   1HE2  GLN  49          2HE2      GLN  49  -7.595   7.371   1.676
  405   2HE2  GLN  49          1HE2      GLN  49  -9.020   7.714   0.688
  406    H    THR  50           H        THR  50  -7.572   5.864  -0.063
  407    HA   THR  50           HA       THR  50  -5.614   3.683   0.403
  408    HB   THR  50           HB       THR  50  -4.998   6.139  -1.247
  409    HG1  THR  50           HG1      THR  50  -5.148   4.630  -3.064
  410   1HG2  THR  50          3HG2      THR  50  -3.573   3.477  -1.023
  411   2HG2  THR  50          1HG2      THR  50  -3.104   4.794  -2.104
  412   3HG2  THR  50          2HG2      THR  50  -3.016   5.028  -0.356
  413    H    GLU  51           H        GLU  51  -3.857   4.271   1.620
  414    HA   GLU  51           HA       GLU  51  -3.730   6.944   2.843
  415   1HB   GLU  51          1HB       GLU  51  -3.824   6.285   5.097
  416   2HB   GLU  51          2HB       GLU  51  -5.306   5.719   4.311
  417   1HG   GLU  51          1HG       GLU  51  -4.258   3.447   4.092
  418   2HG   GLU  51          2HG       GLU  51  -2.833   4.114   4.916
  419    H    CYS  52           H        CYS  52  -1.676   7.246   4.011
  420    HA   CYS  52           HA       CYS  52   0.472   5.718   2.666
  421   1HB   CYS  52          1HB       CYS  52   0.260   8.632   3.458
  422   2HB   CYS  52          2HB       CYS  52   1.583   7.852   2.591
  423    H    CYS  53           H        CYS  53   2.507   5.596   3.759
  424    HA   CYS  53           HA       CYS  53   2.702   6.376   6.581
  425   1HB   CYS  53          1HB       CYS  53   3.296   4.127   7.327
  426   2HB   CYS  53          2HB       CYS  53   1.639   4.163   6.705
  427    H    LYS  54           H        LYS  54   5.034   6.197   7.279
  428    HA   LYS  54           HA       LYS  54   6.930   6.131   4.989
  429   1HB   LYS  54          1HB       LYS  54   8.070   7.920   6.363
  430   2HB   LYS  54          2HB       LYS  54   6.650   8.395   5.441
  431   1HG   LYS  54          2HG       LYS  54   5.268   8.415   7.451
  432   2HG   LYS  54          1HG       LYS  54   6.622   7.802   8.431
  433   1HD   LYS  54          2HD       LYS  54   7.942   9.828   7.832
  434   2HD   LYS  54          1HD       LYS  54   6.557  10.461   6.928
  435   1HE   LYS  54          1HE       LYS  54   6.609   9.828   9.924
  436   2HE   LYS  54          2HE       LYS  54   6.744  11.441   9.206
  437   1HZ   LYS  54          1HZ       LYS  54   4.559  11.147   8.277
  438   2HZ   LYS  54          2HZ       LYS  54   4.420   9.664   8.983
  439   3HZ   LYS  54          3HZ       LYS  54   4.534  11.012   9.919
  440    H    GLY  55           H        GLY  55   7.714   4.046   5.333
  441   1HA   GLY  55          1HA       GLY  55   9.802   3.761   7.162
  442   2HA   GLY  55          2HA       GLY  55   8.379   2.992   7.897
  443    H    ASP  56           H        ASP  56  10.732   1.570   7.079
  444    HA   ASP  56           HA       ASP  56  10.573   0.399   4.503
  445   1HB   ASP  56          1HB       ASP  56  11.965  -1.405   5.624
  446   2HB   ASP  56          2HB       ASP  56  12.626   0.230   5.657
  447    NH1  ARG  57           NH1      ARG  57  10.210  -3.276   8.283
  448    NH2  ARG  57           NH2      ARG  57  10.710  -5.349   9.181
  449    H    ARG  57           H        ARG  57   9.094  -0.815   3.713
  450    HA   ARG  57           HA       ARG  57   7.095  -1.827   3.469
  451   1HB   ARG  57          1HB       ARG  57   6.967  -4.128   4.347
  452   2HB   ARG  57          2HB       ARG  57   8.429  -3.736   3.463
  453   1HG   ARG  57          2HG       ARG  57   9.095  -5.140   5.175
  454   2HG   ARG  57          1HG       ARG  57   9.663  -3.553   5.658
  455   1HD   ARG  57          2HD       ARG  57   7.709  -3.421   7.274
  456   2HD   ARG  57          1HD       ARG  57   7.124  -4.960   6.651
  457    HE   ARG  57           HE       ARG  57   8.640  -6.073   7.953
  458   1HH1  ARG  57          1HH1      ARG  57   9.580  -2.681   7.756
  459   2HH1  ARG  57          2HH1      ARG  57  11.082  -2.860   8.598
  460   1HH2  ARG  57          2HH2      ARG  57  10.497  -6.330   9.288
  461   2HH2  ARG  57          1HH2      ARG  57  11.512  -4.957   9.652
  462    H    CYS  58           H        CYS  58   6.927   0.287   5.394
  463    HA   CYS  58           HA       CYS  58   5.377  -0.470   7.639
  464   1HB   CYS  58          1HB       CYS  58   4.657   1.831   7.659
  465   2HB   CYS  58          2HB       CYS  58   6.377   1.750   7.274
  466    H    ASN  59           H        ASN  59   4.600  -0.172   4.225
  467    HA   ASN  59           HA       ASN  59   1.698  -0.187   4.598
  468   1HB   ASN  59          2HB       ASN  59   1.611  -0.081   2.223
  469   2HB   ASN  59          1HB       ASN  59   2.735   1.136   2.803
  470   1HD2  ASN  59          2HD2      ASN  59   3.975  -0.754  -0.291
  471   2HD2  ASN  59          1HD2      ASN  59   2.744   0.388   0.176
  472    H    LYS  60           H        LYS  60   2.331  -2.255   5.974
  473    HA   LYS  60           HA       LYS  60   2.654  -4.711   4.454
  474   1HB   LYS  60          2HB       LYS  60   3.310  -4.496   6.831
  475   2HB   LYS  60          1HB       LYS  60   1.599  -4.301   7.280
  476   1HG   LYS  60          1HG       LYS  60   1.100  -6.531   6.310
  477   2HG   LYS  60          2HG       LYS  60   2.798  -6.712   5.844
  478   1HD   LYS  60          1HD       LYS  60   3.427  -6.497   8.286
  479   2HD   LYS  60          2HD       LYS  60   1.701  -6.501   8.684
  480   1HE   LYS  60          2HE       LYS  60   3.259  -8.732   7.281
  481   2HE   LYS  60          1HE       LYS  60   2.672  -8.755   8.951
  482   1HZ   LYS  60          1HZ       LYS  60   0.434  -8.632   8.086
  483   2HZ   LYS  60          3HZ       LYS  60   0.998  -8.659   6.538
  484   3HZ   LYS  60          2HZ       LYS  60   1.225  -9.962   7.518
   
  Start of MODEL          19
 Raw file had  484 H/Q atoms
  Start of MODEL   19
    1    NH1  ARG   1           NH2      ARG   1   9.861   4.296   4.253
    2    NH2  ARG   1           NH1      ARG   1  10.759   6.018   5.474
    3   1H    ARG   1          3H        ARG   1  12.298   4.160  -1.232
    4   2H    ARG   1          2H        ARG   1  11.277   4.863  -0.154
    5   3H    ARG   1          1H        ARG   1  12.793   5.451  -0.333
    6    HA   ARG   1           HA       ARG   1  13.749   3.426   0.533
    7   1HB   ARG   1          2HB       ARG   1  12.465   5.101   2.154
    8   2HB   ARG   1          1HB       ARG   1  11.313   3.773   2.250
    9   1HG   ARG   1          1HG       ARG   1  13.810   2.513   2.729
   10   2HG   ARG   1          2HG       ARG   1  14.039   4.105   3.421
   11   1HD   ARG   1          2HD       ARG   1  11.624   2.355   4.042
   12   2HD   ARG   1          1HD       ARG   1  13.095   2.344   5.001
   13    HE   ARG   1           HE       ARG   1  12.728   4.537   5.732
   14   1HH1  ARG   1          1HH2      ARG   1   9.835   3.327   3.975
   15   2HH1  ARG   1          2HH2      ARG   1   9.090   4.911   4.008
   16   1HH2  ARG   1          2HH1      ARG   1  11.541   6.489   5.909
   17   2HH2  ARG   1          1HH1      ARG   1   9.935   6.564   5.243
   18    H    ILE   2           H        ILE   2  12.409   1.432   2.066
   19    HA   ILE   2           HA       ILE   2  11.637  -0.392  -0.064
   20    HB   ILE   2           HB       ILE   2  11.886  -0.630   2.972
   21   1HG1  ILE   2          1HG1      ILE   2  14.017  -0.333   1.648
   22   2HG1  ILE   2          2HG1      ILE   2  13.905  -1.806   2.611
   23   1HG2  ILE   2          3HG2      ILE   2  11.159  -2.766   0.921
   24   2HG2  ILE   2          2HG2      ILE   2  11.783  -3.128   2.548
   25   3HG2  ILE   2          1HG2      ILE   2  10.247  -2.290   2.360
   26   1HD1  ILE   2          2HD1      ILE   2  13.354  -1.701  -0.385
   27   2HD1  ILE   2          3HD1      ILE   2  14.876  -2.197   0.374
   28   3HD1  ILE   2          1HD1      ILE   2  13.410  -3.150   0.642
   29    H    CYS   3           H        CYS   3   9.615  -0.322  -0.881
   30    HA   CYS   3           HA       CYS   3   7.322  -0.008   1.028
   31   1HB   CYS   3          1HB       CYS   3   7.360   0.635  -1.951
   32   2HB   CYS   3          2HB       CYS   3   6.019   0.768  -0.851
   33    OH   TYR   4           OH       TYR   4   9.034  -7.220   4.365
   34    H    TYR   4           H        TYR   4   5.964  -1.750   1.117
   35    HA   TYR   4           HA       TYR   4   6.706  -4.130  -0.492
   36   1HB   TYR   4          2HB       TYR   4   4.814  -3.558   1.795
   37   2HB   TYR   4          1HB       TYR   4   4.625  -4.984   0.786
   38    HD1  TYR   4           HD2      TYR   4   8.155  -4.113   1.210
   39    HD2  TYR   4           HD1      TYR   4   4.814  -6.162   3.025
   40    HE1  TYR   4           HE2      TYR   4   9.698  -5.522   2.497
   41    HE2  TYR   4           HE1      TYR   4   6.365  -7.406   4.470
   42    HH   TYR   4           HH       TYR   4   8.600  -7.792   5.003
   43    H    SER   5           H        SER   5   5.284  -5.127  -1.932
   44    HA   SER   5           HA       SER   5   3.146  -3.383  -3.088
   45   1HB   SER   5          2HB       SER   5   5.279  -3.359  -4.388
   46   2HB   SER   5          1HB       SER   5   5.144  -5.116  -4.592
   47    HG   SER   5           HG       SER   5   4.252  -3.819  -6.342
   48    H    HIS   6           H        HIS   6   2.499  -5.258  -4.963
   49    HA   HIS   6           HA       HIS   6   1.376  -7.092  -5.550
   50   1HB   HIS   6          2HB       HIS   6   1.736  -9.092  -4.653
   51   2HB   HIS   6          1HB       HIS   6   2.963  -8.276  -3.747
   52    HD1  HIS   6           HD1      HIS   6   1.411  -7.162  -1.318
   53    HD2  HIS   6           HD2      HIS   6   0.751 -10.931  -3.005
   54    HE1  HIS   6           HE1      HIS   6   0.340  -8.615   0.474
   55    H    LYS   7           H        LYS   7  -0.524  -8.551  -4.571
   56    HA   LYS   7           HA       LYS   7  -2.598  -6.619  -3.649
   57   1HB   LYS   7          2HB       LYS   7  -4.198  -7.872  -5.029
   58   2HB   LYS   7          1HB       LYS   7  -2.999  -6.997  -5.974
   59   1HG   LYS   7          2HG       LYS   7  -1.844  -8.918  -6.628
   60   2HG   LYS   7          1HG       LYS   7  -2.502  -9.934  -5.343
   61   1HD   LYS   7          2HD       LYS   7  -4.235  -8.777  -7.560
   62   2HD   LYS   7          1HD       LYS   7  -3.412 -10.343  -7.676
   63   1HE   LYS   7          1HE       LYS   7  -4.577 -11.136  -5.625
   64   2HE   LYS   7          2HE       LYS   7  -5.463  -9.607  -5.525
   65   1HZ   LYS   7          1HZ       LYS   7  -5.592 -11.508  -7.751
   66   2HZ   LYS   7          2HZ       LYS   7  -6.738 -11.285  -6.589
   67   3HZ   LYS   7          3HZ       LYS   7  -6.408 -10.078  -7.660
   68    H    ALA   8           H        ALA   8  -4.215  -7.447  -2.288
   69    HA   ALA   8           HA       ALA   8  -5.033  -8.720  -0.525
   70   1HB   ALA   8          2HB       ALA   8  -5.508 -10.193  -2.514
   71   2HB   ALA   8          1HB       ALA   8  -4.048 -11.114  -2.116
   72   3HB   ALA   8          3HB       ALA   8  -5.400 -11.036  -0.967
   73    H    SER   9           H        SER   9  -3.895 -11.280   0.263
   74    HA   SER   9           HA       SER   9  -1.306 -10.513   1.560
   75   1HB   SER   9          2HB       SER   9  -2.191 -11.704   3.576
   76   2HB   SER   9          1HB       SER   9  -3.118 -10.241   3.181
   77    HG   SER   9           HG       SER   9  -3.781 -12.899   2.437
   78    H    LEU  10           H        LEU  10  -0.432 -11.679  -0.307
   79    HA   LEU  10           HA       LEU  10  -0.432 -14.643  -0.039
   80   1HB   LEU  10          1HB       LEU  10  -0.663 -13.003  -2.605
   81   2HB   LEU  10          2HB       LEU  10  -0.570 -14.761  -2.543
   82    HG   LEU  10           HG       LEU  10  -2.892 -13.172  -1.399
   83   1HD1  LEU  10          3HD2      LEU  10  -2.730 -12.907  -3.832
   84   2HD1  LEU  10          2HD2      LEU  10  -2.620 -14.669  -4.031
   85   3HD1  LEU  10          1HD2      LEU  10  -4.104 -13.934  -3.389
   86   1HD2  LEU  10          3HD1      LEU  10  -2.518 -16.155  -1.952
   87   2HD2  LEU  10          2HD1      LEU  10  -2.591 -15.410  -0.343
   88   3HD2  LEU  10          1HD1      LEU  10  -4.012 -15.378  -1.392
   89    HA   PRO  11           HA       PRO  11   3.964 -14.062  -0.666
   90   1HB   PRO  11          2HB       PRO  11   3.907 -15.131  -3.497
   91   2HB   PRO  11          1HB       PRO  11   5.066 -15.489  -2.179
   92   1HG   PRO  11          2HG       PRO  11   3.080 -17.266  -2.723
   93   2HG   PRO  11          1HG       PRO  11   3.385 -16.814  -1.017
   94   1HD   PRO  11          2HD       PRO  11   1.329 -15.674  -2.913
   95   2HD   PRO  11          1HD       PRO  11   1.057 -16.279  -1.244
   96    NH1  ARG  12           NH2      ARG  12   2.602  -6.651   1.212
   97    NH2  ARG  12           NH1      ARG  12   1.950  -8.043   2.892
   98    H    ARG  12           H        ARG  12   4.979 -12.122  -1.111
   99    HA   ARG  12           HA       ARG  12   3.676 -10.373  -3.159
  100   1HB   ARG  12          1HB       ARG  12   3.984  -8.552  -1.622
  101   2HB   ARG  12          2HB       ARG  12   3.220  -9.883  -0.744
  102   1HG   ARG  12          1HG       ARG  12   5.325 -10.455   0.342
  103   2HG   ARG  12          2HG       ARG  12   6.218  -9.284  -0.648
  104   1HD   ARG  12          2HD       ARG  12   5.812  -8.327   1.497
  105   2HD   ARG  12          1HD       ARG  12   4.903  -7.432   0.278
  106    HE   ARG  12           HE       ARG  12   3.753  -9.547   2.085
  107   1HH1  ARG  12          2HH2      ARG  12   3.076  -6.446   0.345
  108   2HH1  ARG  12          1HH2      ARG  12   1.914  -5.999   1.599
  109   1HH2  ARG  12          1HH1      ARG  12   2.018  -8.883   3.444
  110   2HH2  ARG  12          2HH1      ARG  12   1.306  -7.292   3.158
  111    H    ALA  13           H        ALA  13   4.989  -8.361  -3.507
  112    HA   ALA  13           HA       ALA  13   7.842  -8.959  -4.119
  113   1HB   ALA  13          2HB       ALA  13   5.836  -7.285  -5.704
  114   2HB   ALA  13          1HB       ALA  13   7.573  -7.431  -6.052
  115   3HB   ALA  13          3HB       ALA  13   6.516  -8.850  -6.199
  116    H    THR  14           H        THR  14   9.232  -7.112  -3.758
  117    HA   THR  14           HA       THR  14   8.091  -4.935  -2.063
  118    HB   THR  14           HB       THR  14  10.150  -5.144  -0.733
  119    HG1  THR  14           HG1      THR  14  11.282  -6.178  -2.631
  120   1HG2  THR  14          2HG2      THR  14   8.097  -6.580  -0.173
  121   2HG2  THR  14          3HG2      THR  14   8.901  -7.924  -1.000
  122   3HG2  THR  14          1HG2      THR  14   9.651  -7.209   0.431
  123    H    LYS  15           H        LYS  15   8.698  -2.879  -2.785
  124    HA   LYS  15           HA       LYS  15  10.745  -2.795  -4.973
  125   1HB   LYS  15          1HB       LYS  15   9.544  -0.926  -5.891
  126   2HB   LYS  15          2HB       LYS  15   8.580  -2.408  -5.892
  127   1HG   LYS  15          2HG       LYS  15   7.336  -1.592  -3.886
  128   2HG   LYS  15          1HG       LYS  15   8.254  -0.082  -3.948
  129   1HD   LYS  15          2HD       LYS  15   6.408  -1.135  -6.136
  130   2HD   LYS  15          1HD       LYS  15   6.009   0.108  -4.941
  131   1HE   LYS  15          2HE       LYS  15   7.942   1.496  -5.842
  132   2HE   LYS  15          1HE       LYS  15   8.115   0.305  -7.145
  133   1HZ   LYS  15          3HZ       LYS  15   5.875   0.767  -7.792
  134   2HZ   LYS  15          1HZ       LYS  15   5.708   1.879  -6.586
  135   3HZ   LYS  15          2HZ       LYS  15   6.783   2.141  -7.806
  136    H    THR  16           H        THR  16  12.525  -1.745  -4.496
  137    HA   THR  16           HA       THR  16  12.739   0.017  -2.186
  138    HB   THR  16           HB       THR  16  14.758  -0.518  -4.407
  139    HG1  THR  16           HG1      THR  16  15.456  -2.188  -3.027
  140   1HG2  THR  16          1HG2      THR  16  15.042   0.294  -1.468
  141   2HG2  THR  16          2HG2      THR  16  16.377   0.024  -2.609
  142   3HG2  THR  16          3HG2      THR  16  15.263   1.380  -2.859
  143    H    CYS  17           H        CYS  17  11.178   1.597  -2.733
  144    HA   CYS  17           HA       CYS  17  11.318   3.057  -5.306
  145   1HB   CYS  17          1HB       CYS  17   9.197   2.503  -3.850
  146   2HB   CYS  17          2HB       CYS  17   9.768   3.935  -2.972
  147    H    VAL  18           H        VAL  18  11.164   5.636  -4.818
  148    HA   VAL  18           HA       VAL  18  13.683   6.327  -3.443
  149    HB   VAL  18           HB       VAL  18  13.140   7.194  -5.651
  150   1HG1  VAL  18          2HG1      VAL  18  10.677   7.582  -5.459
  151   2HG1  VAL  18          1HG1      VAL  18  11.046   9.038  -4.492
  152   3HG1  VAL  18          3HG1      VAL  18  11.608   8.910  -6.154
  153   1HG2  VAL  18          1HG2      VAL  18  14.704   8.378  -4.150
  154   2HG2  VAL  18          3HG2      VAL  18  13.855   9.507  -5.219
  155   3HG2  VAL  18          2HG2      VAL  18  13.363   9.360  -3.520
  156    H    GLU  19           H        GLU  19  10.337   7.363  -3.411
  157    HA   GLU  19           HA       GLU  19  10.130   9.124  -1.419
  158   1HB   GLU  19          1HB       GLU  19   8.164   6.818  -1.819
  159   2HB   GLU  19          2HB       GLU  19   7.807   8.320  -0.970
  160   1HG   GLU  19          1HG       GLU  19   8.491   8.094  -3.903
  161   2HG   GLU  19          2HG       GLU  19   6.904   8.415  -3.208
  162    H    ASN  20           H        ASN  20   9.946   9.360   0.671
  163    HA   ASN  20           HA       ASN  20  10.939   7.331   2.505
  164   1HB   ASN  20          2HB       ASN  20  11.399   9.754   2.771
  165   2HB   ASN  20          1HB       ASN  20   9.670  10.073   2.971
  166   1HD2  ASN  20          2HD2      ASN  20   9.658   9.130   6.401
  167   2HD2  ASN  20          1HD2      ASN  20   8.682   9.618   5.030
  168    H    THR  21           H        THR  21   7.799   8.164   1.131
  169    HA   THR  21           HA       THR  21   6.405   6.734   3.312
  170    HB   THR  21           HB       THR  21   4.443   8.005   2.219
  171    HG1  THR  21           HG1      THR  21   5.133   9.878   1.081
  172   1HG2  THR  21          2HG2      THR  21   6.641   9.599   3.604
  173   2HG2  THR  21          1HG2      THR  21   4.939  10.086   3.455
  174   3HG2  THR  21          3HG2      THR  21   5.363   8.648   4.398
  175    H    CYS  22           H        CYS  22   4.668   5.297   2.661
  176    HA   CYS  22           HA       CYS  22   4.608   4.443  -0.159
  177   1HB   CYS  22          1HB       CYS  22   4.580   2.442   2.054
  178   2HB   CYS  22          2HB       CYS  22   4.816   2.228   0.328
  179    OH   TYR  23           OH       TYR  23  -0.932   3.854  -5.962
  180    H    TYR  23           H        TYR  23   2.509   3.474  -0.616
  181    HA   TYR  23           HA       TYR  23   0.477   4.019   1.525
  182   1HB   TYR  23          1HB       TYR  23  -1.191   4.352  -0.134
  183   2HB   TYR  23          2HB       TYR  23   0.135   5.478  -0.290
  184    HD1  TYR  23           HD2      TYR  23  -1.312   2.306  -1.723
  185    HD2  TYR  23           HD1      TYR  23   1.220   5.718  -2.427
  186    HE1  TYR  23           HE2      TYR  23  -1.697   2.098  -4.157
  187    HE2  TYR  23           HE1      TYR  23   0.722   5.593  -4.838
  188    HH   TYR  23           HH       TYR  23  -0.903   4.752  -6.322
  189    H    LYS  24           H        LYS  24  -1.220   2.764   1.648
  190    HA   LYS  24           HA       LYS  24  -1.112   0.022   0.499
  191   1HB   LYS  24          1HB       LYS  24  -2.359  -0.476   2.825
  192   2HB   LYS  24          2HB       LYS  24  -0.617  -0.645   2.563
  193   1HG   LYS  24          2HG       LYS  24  -0.115   1.417   3.652
  194   2HG   LYS  24          1HG       LYS  24  -1.834   1.839   3.786
  195   1HD   LYS  24          1HD       LYS  24  -2.251   0.052   5.342
  196   2HD   LYS  24          2HD       LYS  24  -0.711  -0.736   4.980
  197   1HE   LYS  24          1HE       LYS  24  -0.656   0.390   7.168
  198   2HE   LYS  24          2HE       LYS  24   0.545   1.067   6.061
  199   1HZ   LYS  24          2HZ       LYS  24  -2.097   2.230   6.624
  200   2HZ   LYS  24          1HZ       LYS  24  -0.667   2.749   7.263
  201   3HZ   LYS  24          3HZ       LYS  24  -0.940   2.882   5.645
  202    H    MET  25           H        MET  25  -2.977  -0.559  -0.421
  203    HA   MET  25           HA       MET  25  -5.216   1.378  -0.472
  204   1HB   MET  25          2HB       MET  25  -3.860   0.997  -2.559
  205   2HB   MET  25          1HB       MET  25  -4.459  -0.659  -2.475
  206   1HG   MET  25          1HG       MET  25  -6.820   0.237  -2.565
  207   2HG   MET  25          2HG       MET  25  -6.142   1.838  -2.837
  208   1HE   MET  25          2HE       MET  25  -4.250   2.097  -4.849
  209   2HE   MET  25          1HE       MET  25  -3.579   0.445  -4.887
  210   3HE   MET  25          3HE       MET  25  -4.330   1.131  -6.340
  211    H    PHE  26           H        PHE  26  -7.239   0.706   0.011
  212    HA   PHE  26           HA       PHE  26  -7.848  -2.177   0.370
  213   1HB   PHE  26          1HB       PHE  26  -9.107  -1.422   2.469
  214   2HB   PHE  26          2HB       PHE  26  -7.359  -1.529   2.579
  215    HD1  PHE  26           HD2      PHE  26  -5.920   0.420   2.688
  216    HD2  PHE  26           HD1      PHE  26 -10.199   0.891   2.402
  217    HE1  PHE  26           HE2      PHE  26  -5.700   2.850   2.943
  218    HE2  PHE  26           HE1      PHE  26  -9.969   3.275   3.059
  219    HZ   PHE  26           HZ       PHE  26  -7.675   4.257   3.375
  220    H    ILE  27           H        ILE  27 -10.201  -2.512   0.444
  221    HA   ILE  27           HA       ILE  27 -11.624  -0.738  -1.431
  222    HB   ILE  27           HB       ILE  27 -12.322  -3.347  -0.026
  223   1HG1  ILE  27          2HG1      ILE  27 -11.950  -2.603  -2.969
  224   2HG1  ILE  27          1HG1      ILE  27 -10.707  -3.356  -1.960
  225   1HG2  ILE  27          2HG2      ILE  27 -14.061  -1.713  -1.935
  226   2HG2  ILE  27          3HG2      ILE  27 -14.429  -3.347  -1.344
  227   3HG2  ILE  27          1HG2      ILE  27 -14.391  -2.014  -0.216
  228   1HD1  ILE  27          1HD1      ILE  27 -12.259  -5.292  -1.571
  229   2HD1  ILE  27          2HD1      ILE  27 -13.344  -4.595  -2.803
  230   3HD1  ILE  27          3HD1      ILE  27 -11.703  -5.081  -3.247
  231    NH1  ARG  28           NH2      ARG  28 -13.063   6.492   0.343
  232    NH2  ARG  28           NH1      ARG  28 -15.040   7.179   1.337
  233    H    ARG  28           H        ARG  28 -13.212   0.728  -0.755
  234    HA   ARG  28           HA       ARG  28 -12.989   1.896   1.799
  235   1HB   ARG  28          2HB       ARG  28 -15.252   1.959  -0.251
  236   2HB   ARG  28          1HB       ARG  28 -15.133   3.026   1.156
  237   1HG   ARG  28          1HG       ARG  28 -12.954   3.867   0.371
  238   2HG   ARG  28          2HG       ARG  28 -13.036   2.844  -1.057
  239   1HD   ARG  28          2HD       ARG  28 -13.809   4.976  -1.813
  240   2HD   ARG  28          1HD       ARG  28 -15.235   3.960  -1.656
  241    HE   ARG  28           HE       ARG  28 -16.062   5.380  -0.074
  242   1HH1  ARG  28          2HH2      ARG  28 -12.599   5.889  -0.317
  243   2HH1  ARG  28          1HH2      ARG  28 -12.495   7.100   0.926
  244   1HH2  ARG  28          2HH1      ARG  28 -16.038   7.085   1.448
  245   2HH2  ARG  28          1HH1      ARG  28 -14.545   7.889   1.857
  246    H    THR  29           H        THR  29 -15.421  -0.381   0.571
  247    HA   THR  29           HA       THR  29 -16.969  -0.641   2.891
  248    HB   THR  29           HB       THR  29 -16.434  -2.899   0.928
  249    HG1  THR  29           HG1      THR  29 -17.901  -0.531   0.383
  250   1HG2  THR  29          2HG2      THR  29 -19.010  -1.743   2.112
  251   2HG2  THR  29          3HG2      THR  29 -18.888  -3.146   1.029
  252   3HG2  THR  29          1HG2      THR  29 -18.197  -3.224   2.660
  253    H    HIS  30           H        HIS  30 -13.734  -1.895   2.241
  254    HA   HIS  30           HA       HIS  30 -13.815  -3.578   4.691
  255   1HB   HIS  30          1HB       HIS  30 -12.604  -4.449   2.042
  256   2HB   HIS  30          2HB       HIS  30 -12.624  -5.354   3.556
  257    HD1  HIS  30           HD1      HIS  30 -15.846  -4.612   3.977
  258    HD2  HIS  30           HD2      HIS  30 -14.009  -6.452   0.688
  259    HE1  HIS  30           HE1      HIS  30 -17.619  -5.996   2.795
  260    NH1  ARG  31           NH2      ARG  31 -13.816  -1.056   8.327
  261    NH2  ARG  31           NH1      ARG  31 -15.165  -2.152   6.811
  262    H    ARG  31           H        ARG  31 -12.855  -1.223   5.138
  263    HA   ARG  31           HA       ARG  31 -10.368  -0.451   4.308
  264   1HB   ARG  31          1HB       ARG  31 -11.491  -0.309   7.141
  265   2HB   ARG  31          2HB       ARG  31 -10.221   0.703   6.453
  266   1HG   ARG  31          2HG       ARG  31 -11.744   2.123   5.741
  267   2HG   ARG  31          1HG       ARG  31 -12.361   0.949   4.608
  268   1HD   ARG  31          1HD       ARG  31 -13.331   1.386   7.488
  269   2HD   ARG  31          2HD       ARG  31 -14.108   1.954   6.022
  270    HE   ARG  31           HE       ARG  31 -14.759  -0.147   5.360
  271   1HH1  ARG  31          1HH2      ARG  31 -13.252  -0.261   8.582
  272   2HH1  ARG  31          2HH2      ARG  31 -13.946  -1.800   8.996
  273   1HH2  ARG  31          2HH1      ARG  31 -15.626  -2.199   5.907
  274   2HH2  ARG  31          1HH1      ARG  31 -15.308  -2.905   7.466
  275    H    GLU  32           H        GLU  32 -11.137  -2.733   6.882
  276    HA   GLU  32           HA       GLU  32  -8.356  -3.268   7.568
  277   1HB   GLU  32          1HB       GLU  32 -10.417  -3.319   9.100
  278   2HB   GLU  32          2HB       GLU  32 -10.806  -4.888   8.372
  279   1HG   GLU  32          1HG       GLU  32  -8.587  -5.750   9.159
  280   2HG   GLU  32          2HG       GLU  32  -8.224  -4.157   9.841
  281    OH   TYR  33           OH       TYR  33  -7.823  -9.125  -1.164
  282    H    TYR  33           H        TYR  33  -8.427  -3.648   4.899
  283    HA   TYR  33           HA       TYR  33  -7.572  -6.403   4.616
  284   1HB   TYR  33          1HB       TYR  33  -9.921  -6.771   4.169
  285   2HB   TYR  33          2HB       TYR  33  -9.996  -5.350   3.128
  286    HD1  TYR  33           HD2      TYR  33  -7.925  -8.506   3.346
  287    HD2  TYR  33           HD1      TYR  33 -10.051  -5.713   0.836
  288    HE1  TYR  33           HE2      TYR  33  -7.192  -9.749   1.340
  289    HE2  TYR  33           HE1      TYR  33  -9.321  -6.966  -1.169
  290    HH   TYR  33           HH       TYR  33  -7.365  -9.941  -0.955
  291    H    ILE  34           H        ILE  34  -5.574  -5.893   3.802
  292    HA   ILE  34           HA       ILE  34  -5.220  -3.493   2.174
  293    HB   ILE  34           HB       ILE  34  -3.175  -5.682   2.686
  294   1HG1  ILE  34          1HG1      ILE  34  -3.902  -5.044   4.884
  295   2HG1  ILE  34          2HG1      ILE  34  -2.352  -4.287   4.552
  296   1HG2  ILE  34          3HG2      ILE  34  -2.993  -2.711   1.967
  297   2HG2  ILE  34          2HG2      ILE  34  -1.613  -3.768   2.321
  298   3HG2  ILE  34          1HG2      ILE  34  -2.637  -4.073   0.906
  299   1HD1  ILE  34          1HD1      ILE  34  -3.500  -2.120   4.107
  300   2HD1  ILE  34          3HD1      ILE  34  -5.067  -2.884   4.457
  301   3HD1  ILE  34          2HD1      ILE  34  -3.840  -2.748   5.723
  302    H    SER  35           H        SER  35  -6.030  -3.560   0.233
  303    HA   SER  35           HA       SER  35  -6.544  -6.027  -1.252
  304   1HB   SER  35          2HB       SER  35  -7.038  -3.071  -1.852
  305   2HB   SER  35          1HB       SER  35  -7.630  -4.441  -2.783
  306    HG   SER  35           HG       SER  35  -8.121  -4.345   0.004
  307    H    GLU  36           H        GLU  36  -4.583  -3.046  -1.562
  308    HA   GLU  36           HA       GLU  36  -2.619  -4.411  -3.250
  309   1HB   GLU  36          2HB       GLU  36  -4.394  -3.674  -4.832
  310   2HB   GLU  36          1HB       GLU  36  -4.180  -2.002  -4.313
  311   1HG   GLU  36          1HG       GLU  36  -1.973  -1.916  -5.317
  312   2HG   GLU  36          2HG       GLU  36  -1.947  -3.683  -5.535
  313    NH1  ARG  37           NH1      ARG  37  -0.753  -6.199   1.081
  314    NH2  ARG  37           NH2      ARG  37  -1.485  -6.331  -1.087
  315    H    ARG  37           H        ARG  37  -0.840  -2.541  -3.788
  316    HA   ARG  37           HA       ARG  37  -0.629  -0.571  -1.597
  317   1HB   ARG  37          2HB       ARG  37   1.163  -2.956  -2.108
  318   2HB   ARG  37          1HB       ARG  37   1.861  -1.474  -1.451
  319   1HG   ARG  37          1HG       ARG  37   1.040  -1.707   0.555
  320   2HG   ARG  37          2HG       ARG  37  -0.530  -2.262   0.041
  321   1HD   ARG  37          1HD       ARG  37   1.950  -4.010   0.121
  322   2HD   ARG  37          2HD       ARG  37   0.637  -3.987   1.305
  323    HE   ARG  37           HE       ARG  37   0.150  -4.615  -1.589
  324   1HH1  ARG  37          2HH1      ARG  37  -0.162  -5.817   1.825
  325   2HH1  ARG  37          1HH1      ARG  37  -1.371  -6.974   1.295
  326   1HH2  ARG  37          2HH2      ARG  37  -1.413  -6.036  -2.053
  327   2HH2  ARG  37          1HH2      ARG  37  -2.083  -7.102  -0.806
  328    H    GLY  38           H        GLY  38   1.348   0.794  -1.923
  329   1HA   GLY  38          1HA       GLY  38   2.619   0.794  -4.518
  330   2HA   GLY  38          2HA       GLY  38   1.394   2.060  -4.415
  331    H    CYS  39           H        CYS  39   3.680   3.098  -4.820
  332    HA   CYS  39           HA       CYS  39   5.289   3.529  -2.369
  333   1HB   CYS  39          2HB       CYS  39   6.526   2.982  -4.330
  334   2HB   CYS  39          1HB       CYS  39   5.652   4.168  -5.314
  335    H    GLY  40           H        GLY  40   5.616   5.633  -1.462
  336   1HA   GLY  40          1HA       GLY  40   5.271   7.820  -1.093
  337   2HA   GLY  40          2HA       GLY  40   4.385   7.986  -2.585
  338    H    CYS  41           H        CYS  41   2.188   8.210  -2.420
  339    HA   CYS  41           HA       CYS  41   0.563   7.645  -0.062
  340   1HB   CYS  41          1HB       CYS  41   2.149   9.556   0.192
  341   2HB   CYS  41          2HB       CYS  41   1.209  10.461  -0.993
  342    HA   PRO  42           HA       PRO  42  -2.885   6.979  -2.400
  343   1HB   PRO  42          2HB       PRO  42  -3.520   9.960  -2.480
  344   2HB   PRO  42          1HB       PRO  42  -4.737   8.657  -2.456
  345   1HG   PRO  42          2HG       PRO  42  -3.873   9.755  -0.119
  346   2HG   PRO  42          1HG       PRO  42  -4.107   7.991  -0.233
  347   1HD   PRO  42          2HD       PRO  42  -1.598   9.523  -0.174
  348   2HD   PRO  42          1HD       PRO  42  -1.894   7.761   0.203
  349    H    THR  43           H        THR  43  -4.209   6.852  -4.010
  350    HA   THR  43           HA       THR  43  -4.158   7.996  -6.546
  351    HB   THR  43           HB       THR  43  -3.129   5.182  -6.788
  352    HG1  THR  43           HG1      THR  43  -1.492   7.362  -6.063
  353   1HG2  THR  43          1HG2      THR  43  -3.815   6.565  -8.801
  354   2HG2  THR  43          2HG2      THR  43  -2.557   7.737  -8.373
  355   3HG2  THR  43          3HG2      THR  43  -2.112   6.088  -8.843
  356    H    ALA  44           H        ALA  44  -5.341   5.790  -7.878
  357    HA   ALA  44           HA       ALA  44  -7.128   4.397  -7.975
  358   1HB   ALA  44          2HB       ALA  44  -6.058   3.291  -5.929
  359   2HB   ALA  44          1HB       ALA  44  -7.201   4.210  -4.926
  360   3HB   ALA  44          3HB       ALA  44  -7.803   3.059  -6.116
  361    H    MET  45           H        MET  45  -9.568   4.209  -7.139
  362    HA   MET  45           HA       MET  45 -10.687   6.724  -6.199
  363   1HB   MET  45          1HB       MET  45 -11.067   5.395  -8.933
  364   2HB   MET  45          2HB       MET  45 -12.259   6.449  -8.194
  365   1HG   MET  45          2HG       MET  45 -10.520   8.268  -8.058
  366   2HG   MET  45          1HG       MET  45  -9.415   7.207  -8.949
  367   1HE   MET  45          2HE       MET  45  -8.953   9.108 -10.671
  368   2HE   MET  45          3HE       MET  45 -10.234   9.980 -11.546
  369   3HE   MET  45          1HE       MET  45 -10.069  10.180  -9.785
  370    CH2  TRP  46           CH2      TRP  46 -18.614   6.598  -0.874
  371    H    TRP  46           H        TRP  46 -12.994   6.383  -5.809
  372    HA   TRP  46           HA       TRP  46 -13.706   4.238  -4.220
  373   1HB   TRP  46          2HB       TRP  46 -14.722   6.421  -4.359
  374   2HB   TRP  46          1HB       TRP  46 -15.437   5.996  -5.883
  375    HD1  TRP  46           HD1      TRP  46 -17.031   3.415  -5.328
  376    HE1  TRP  46           HE1      TRP  46 -18.916   3.307  -3.565
  377    HE3  TRP  46           HE3      TRP  46 -15.894   7.596  -2.703
  378    HZ2  TRP  46           HZ2      TRP  46 -19.791   4.836  -1.301
  379    HZ3  TRP  46           HZ3      TRP  46 -17.288   8.298  -0.745
  380    HH2  TRP  46           HH2      TRP  46 -19.219   6.903  -0.033
  381    HA   PRO  47           HA       PRO  47 -15.230   2.518  -3.713
  382   1HB   PRO  47          1HB       PRO  47 -15.440  -0.161  -3.580
  383   2HB   PRO  47          2HB       PRO  47 -16.618   0.809  -4.502
  384   1HG   PRO  47          1HG       PRO  47 -14.156  -0.596  -5.598
  385   2HG   PRO  47          2HG       PRO  47 -15.846  -0.776  -6.159
  386   1HD   PRO  47          1HD       PRO  47 -14.111   0.985  -7.344
  387   2HD   PRO  47          2HD       PRO  47 -15.838   1.388  -7.139
  388    OH   TYR  48           OH       TYR  48 -10.753  -4.114  -6.164
  389    H    TYR  48           H        TYR  48 -12.209   2.430  -5.021
  390    HA   TYR  48           HA       TYR  48 -11.009   0.958  -2.711
  391   1HB   TYR  48          1HB       TYR  48  -9.865   1.911  -5.357
  392   2HB   TYR  48          2HB       TYR  48  -8.901   1.346  -3.996
  393    HD1  TYR  48           HD1      TYR  48 -11.379   0.376  -6.594
  394    HD2  TYR  48           HD2      TYR  48  -8.863  -1.048  -3.395
  395    HE1  TYR  48           HE1      TYR  48 -11.783  -1.956  -7.316
  396    HE2  TYR  48           HE2      TYR  48  -9.243  -3.384  -4.150
  397    HH   TYR  48           HH       TYR  48 -11.333  -4.187  -6.924
  398    H    GLN  49           H        GLN  49  -9.399   2.002  -1.482
  399    HA   GLN  49           HA       GLN  49  -8.783   4.776  -2.129
  400   1HB   GLN  49          2HB       GLN  49 -10.855   4.642  -0.406
  401   2HB   GLN  49          1HB       GLN  49  -9.524   4.294   0.720
  402   1HG   GLN  49          1HG       GLN  49  -8.425   6.450  -0.443
  403   2HG   GLN  49          2HG       GLN  49 -10.105   6.806  -0.833
  404   1HE2  GLN  49          2HE2      GLN  49  -8.672   7.196   2.989
  405   2HE2  GLN  49          1HE2      GLN  49  -7.652   6.534   1.718
  406    H    THR  50           H        THR  50  -6.869   5.282  -1.477
  407    HA   THR  50           HA       THR  50  -5.049   3.403  -0.150
  408    HB   THR  50           HB       THR  50  -3.484   5.404  -0.858
  409    HG1  THR  50           HG1      THR  50  -5.365   6.753  -1.297
  410   1HG2  THR  50          1HG2      THR  50  -3.534   3.196  -1.955
  411   2HG2  THR  50          3HG2      THR  50  -4.863   3.756  -3.001
  412   3HG2  THR  50          2HG2      THR  50  -3.267   4.529  -3.100
  413    H    GLU  51           H        GLU  51  -3.744   3.904   1.575
  414    HA   GLU  51           HA       GLU  51  -4.015   6.543   2.908
  415   1HB   GLU  51          2HB       GLU  51  -4.329   5.716   5.058
  416   2HB   GLU  51          1HB       GLU  51  -5.544   4.907   4.075
  417   1HG   GLU  51          1HG       GLU  51  -3.830   2.926   3.942
  418   2HG   GLU  51          2HG       GLU  51  -2.898   3.899   5.071
  419    H    CYS  52           H        CYS  52  -1.993   7.229   3.795
  420    HA   CYS  52           HA       CYS  52   0.276   5.842   2.582
  421   1HB   CYS  52          2HB       CYS  52   0.576   8.398   4.069
  422   2HB   CYS  52          1HB       CYS  52   1.325   7.854   2.562
  423    H    CYS  53           H        CYS  53   2.319   5.895   3.808
  424    HA   CYS  53           HA       CYS  53   2.315   6.153   6.692
  425   1HB   CYS  53          1HB       CYS  53   2.940   3.876   7.255
  426   2HB   CYS  53          2HB       CYS  53   1.334   3.905   6.520
  427    H    LYS  54           H        LYS  54   4.628   5.542   7.505
  428    HA   LYS  54           HA       LYS  54   6.705   5.862   5.455
  429   1HB   LYS  54          2HB       LYS  54   7.820   7.241   7.273
  430   2HB   LYS  54          1HB       LYS  54   6.566   8.067   6.336
  431   1HG   LYS  54          1HG       LYS  54   4.970   7.789   8.186
  432   2HG   LYS  54          2HG       LYS  54   6.154   6.828   9.101
  433   1HD   LYS  54          2HD       LYS  54   7.674   8.788   9.183
  434   2HD   LYS  54          1HD       LYS  54   6.497   9.742   8.253
  435   1HE   LYS  54          2HE       LYS  54   4.821   9.439  10.070
  436   2HE   LYS  54          1HE       LYS  54   5.994   8.481  10.994
  437   1HZ   LYS  54          1HZ       LYS  54   6.314  11.294  10.217
  438   2HZ   LYS  54          2HZ       LYS  54   5.924  10.740  11.719
  439   3HZ   LYS  54          3HZ       LYS  54   7.404  10.405  11.077
  440    H    GLY  55           H        GLY  55   8.667   4.872   6.149
  441   1HA   GLY  55          1HA       GLY  55   9.965   3.697   7.820
  442   2HA   GLY  55          2HA       GLY  55   8.486   2.938   8.434
  443    H    ASP  56           H        ASP  56  10.883   1.520   7.424
  444    HA   ASP  56           HA       ASP  56  10.580   0.643   4.737
  445   1HB   ASP  56          1HB       ASP  56  11.938  -1.249   5.434
  446   2HB   ASP  56          2HB       ASP  56  12.628   0.236   6.020
  447    NH1  ARG  57           NH1      ARG  57  12.834  -4.443   6.066
  448    NH2  ARG  57           NH2      ARG  57  12.372  -6.290   4.727
  449    H    ARG  57           H        ARG  57   9.282  -0.732   3.840
  450    HA   ARG  57           HA       ARG  57   7.345  -1.865   3.507
  451   1HB   ARG  57          1HB       ARG  57   7.272  -4.034   4.503
  452   2HB   ARG  57          2HB       ARG  57   8.943  -3.617   4.071
  453   1HG   ARG  57          2HG       ARG  57   8.175  -3.130   6.924
  454   2HG   ARG  57          1HG       ARG  57   8.178  -4.803   6.402
  455   1HD   ARG  57          2HD       ARG  57  10.520  -2.981   5.943
  456   2HD   ARG  57          1HD       ARG  57  10.327  -4.013   7.375
  457    HE   ARG  57           HE       ARG  57   9.994  -5.672   5.128
  458   1HH1  ARG  57          2HH1      ARG  57  12.502  -3.675   6.649
  459   2HH1  ARG  57          1HH1      ARG  57  13.827  -4.601   5.992
  460   1HH2  ARG  57          2HH2      ARG  57  11.683  -6.891   4.294
  461   2HH2  ARG  57          1HH2      ARG  57  13.354  -6.494   4.620
  462    H    CYS  58           H        CYS  58   6.977   0.423   5.466
  463    HA   CYS  58           HA       CYS  58   5.273  -0.361   7.533
  464   1HB   CYS  58          2HB       CYS  58   4.459   1.895   7.485
  465   2HB   CYS  58          1HB       CYS  58   6.197   1.881   7.196
  466    H    ASN  59           H        ASN  59   4.578  -0.020   4.053
  467    HA   ASN  59           HA       ASN  59   1.690  -0.411   4.412
  468   1HB   ASN  59          1HB       ASN  59   1.623   0.019   2.067
  469   2HB   ASN  59          2HB       ASN  59   2.609   1.271   2.801
  470   1HD2  ASN  59          1HD2      ASN  59   4.130  -0.287  -0.350
  471   2HD2  ASN  59          2HD2      ASN  59   2.649   0.577  -0.021
  472    H    LYS  60           H        LYS  60   2.771  -2.664   5.453
  473    HA   LYS  60           HA       LYS  60   3.156  -4.641   3.304
  474   1HB   LYS  60          1HB       LYS  60   3.436  -6.262   4.976
  475   2HB   LYS  60          2HB       LYS  60   4.443  -4.878   5.386
  476   1HG   LYS  60          1HG       LYS  60   1.745  -5.484   6.671
  477   2HG   LYS  60          2HG       LYS  60   3.276  -6.132   7.235
  478   1HD   LYS  60          1HD       LYS  60   3.708  -4.356   8.457
  479   2HD   LYS  60          2HD       LYS  60   3.666  -3.292   7.070
  480   1HE   LYS  60          1HE       LYS  60   1.218  -4.199   8.677
  481   2HE   LYS  60          2HE       LYS  60   2.066  -2.660   8.907
  482   1HZ   LYS  60          2HZ       LYS  60   0.778  -3.460   6.388
  483   2HZ   LYS  60          3HZ       LYS  60   0.109  -2.475   7.529
  484   3HZ   LYS  60          1HZ       LYS  60   1.481  -2.005   6.747
   
  Start of MODEL          20
 Raw file had  484 H/Q atoms
  Start of MODEL   20
    1    NH1  ARG   1           NH1      ARG   1  14.108   4.904   5.807
    2    NH2  ARG   1           NH2      ARG   1  13.462   7.122   5.622
    3   1H    ARG   1          1H        ARG   1  12.839   4.538  -0.958
    4   2H    ARG   1          3H        ARG   1  11.511   5.376  -0.489
    5   3H    ARG   1          2H        ARG   1  12.959   5.838   0.073
    6    HA   ARG   1           HA       ARG   1  13.111   4.007   1.495
    7   1HB   ARG   1          2HB       ARG   1  11.275   5.696   2.028
    8   2HB   ARG   1          1HB       ARG   1  10.111   4.606   1.265
    9   1HG   ARG   1          1HG       ARG   1   9.932   4.467   3.639
   10   2HG   ARG   1          2HG       ARG   1  10.535   2.938   3.023
   11   1HD   ARG   1          1HD       ARG   1  11.766   3.594   5.039
   12   2HD   ARG   1          2HD       ARG   1  12.865   3.648   3.667
   13    HE   ARG   1           HE       ARG   1  11.655   6.220   4.159
   14   1HH1  ARG   1          1HH1      ARG   1  13.959   3.914   5.617
   15   2HH1  ARG   1          2HH1      ARG   1  14.863   5.161   6.424
   16   1HH2  ARG   1          2HH2      ARG   1  12.799   7.811   5.278
   17   2HH2  ARG   1          1HH2      ARG   1  14.203   7.415   6.240
   18    H    ILE   2           H        ILE   2  12.286   1.727   2.127
   19    HA   ILE   2           HA       ILE   2  11.766   0.148  -0.288
   20    HB   ILE   2           HB       ILE   2  11.836  -0.553   2.682
   21   1HG1  ILE   2          2HG1      ILE   2  14.037   0.174   1.510
   22   2HG1  ILE   2          1HG1      ILE   2  14.015  -1.332   2.430
   23   1HG2  ILE   2          1HG2      ILE   2  11.593  -2.362   0.238
   24   2HG2  ILE   2          2HG2      ILE   2  11.974  -2.924   1.884
   25   3HG2  ILE   2          3HG2      ILE   2  10.420  -2.165   1.540
   26   1HD1  ILE   2          2HD1      ILE   2  13.621  -1.232  -0.573
   27   2HD1  ILE   2          3HD1      ILE   2  15.198  -1.441   0.217
   28   3HD1  ILE   2          1HD1      ILE   2  13.933  -2.663   0.433
   29    H    CYS   3           H        CYS   3   9.673  -0.453  -0.965
   30    HA   CYS   3           HA       CYS   3   7.409  -0.055   0.958
   31   1HB   CYS   3          2HB       CYS   3   7.439   0.868  -1.939
   32   2HB   CYS   3          1HB       CYS   3   6.061   0.888  -0.847
   33    OH   TYR   4           OH       TYR   4   6.629  -7.213   4.874
   34    H    TYR   4           H        TYR   4   5.794  -1.611   0.747
   35    HA   TYR   4           HA       TYR   4   6.492  -4.002  -0.793
   36   1HB   TYR   4          2HB       TYR   4   4.164  -3.221   0.995
   37   2HB   TYR   4          1HB       TYR   4   4.210  -4.711   0.081
   38    HD1  TYR   4           HD2      TYR   4   6.260  -6.306   0.445
   39    HD2  TYR   4           HD1      TYR   4   4.933  -3.321   3.252
   40    HE1  TYR   4           HE2      TYR   4   7.063  -7.703   2.331
   41    HE2  TYR   4           HE1      TYR   4   5.469  -4.837   5.115
   42    HH   TYR   4           HH       TYR   4   6.247  -6.925   5.708
   43    H    SER   5           H        SER   5   4.905  -4.807  -2.429
   44    HA   SER   5           HA       SER   5   2.897  -2.887  -3.430
   45   1HB   SER   5          1HB       SER   5   5.170  -3.817  -5.235
   46   2HB   SER   5          2HB       SER   5   3.804  -2.774  -5.671
   47    HG   SER   5           HG       SER   5   4.834  -1.579  -3.634
   48    H    HIS   6           H        HIS   6   2.823  -5.598  -2.214
   49    HA   HIS   6           HA       HIS   6   1.982  -7.232  -4.555
   50   1HB   HIS   6          2HB       HIS   6   2.362  -9.028  -3.393
   51   2HB   HIS   6          1HB       HIS   6   3.174  -8.046  -2.237
   52    HD1  HIS   6           HD1      HIS   6   1.508  -7.230  -0.050
   53    HD2  HIS   6           HD2      HIS   6   0.625 -10.595  -2.350
   54    HE1  HIS   6           HE1      HIS   6  -0.009  -8.705   1.341
   55    H    LYS   7           H        LYS   7  -0.050  -8.468  -3.974
   56    HA   LYS   7           HA       LYS   7  -2.215  -6.518  -3.325
   57   1HB   LYS   7          1HB       LYS   7  -3.514  -7.456  -5.309
   58   2HB   LYS   7          2HB       LYS   7  -2.228  -6.303  -5.596
   59   1HG   LYS   7          2HG       LYS   7  -2.114  -7.911  -7.313
   60   2HG   LYS   7          1HG       LYS   7  -0.683  -8.066  -6.322
   61   1HD   LYS   7          2HD       LYS   7  -1.576 -10.248  -7.038
   62   2HD   LYS   7          1HD       LYS   7  -1.551 -10.114  -5.287
   63   1HE   LYS   7          2HE       LYS   7  -3.625 -11.184  -6.146
   64   2HE   LYS   7          1HE       LYS   7  -3.984  -9.713  -5.241
   65   1HZ   LYS   7          3HZ       LYS   7  -3.843  -9.927  -8.168
   66   2HZ   LYS   7          2HZ       LYS   7  -5.223  -9.856  -7.269
   67   3HZ   LYS   7          1HZ       LYS   7  -4.207  -8.561  -7.318
   68    H    ALA   8           H        ALA   8  -4.163  -7.350  -2.677
   69    HA   ALA   8           HA       ALA   8  -5.402  -8.644  -1.227
   70   1HB   ALA   8          2HB       ALA   8  -5.607  -9.933  -3.356
   71   2HB   ALA   8          1HB       ALA   8  -4.247 -10.953  -2.855
   72   3HB   ALA   8          3HB       ALA   8  -5.760 -10.960  -1.937
   73    H    SER   9           H        SER   9  -4.838 -11.230  -0.179
   74    HA   SER   9           HA       SER   9  -2.476 -10.730   1.602
   75   1HB   SER   9          2HB       SER   9  -3.705 -12.255   3.139
   76   2HB   SER   9          1HB       SER   9  -4.625 -10.786   2.759
   77    HG   SER   9           HG       SER   9  -4.888 -13.328   1.515
   78    H    LEU  10           H        LEU  10  -1.083 -11.559  -0.155
   79    HA   LEU  10           HA       LEU  10  -1.033 -14.536  -0.361
   80   1HB   LEU  10          2HB       LEU  10  -0.672 -12.508  -2.612
   81   2HB   LEU  10          1HB       LEU  10  -0.535 -14.253  -2.803
   82    HG   LEU  10           HG       LEU  10  -3.119 -12.873  -2.038
   83   1HD1  LEU  10          3HD1      LEU  10  -2.357 -12.252  -4.288
   84   2HD1  LEU  10          1HD1      LEU  10  -2.156 -13.967  -4.708
   85   3HD1  LEU  10          2HD1      LEU  10  -3.772 -13.318  -4.355
   86   1HD2  LEU  10          1HD2      LEU  10  -2.495 -15.737  -2.908
   87   2HD2  LEU  10          3HD2      LEU  10  -3.006 -15.245  -1.281
   88   3HD2  LEU  10          2HD2      LEU  10  -4.113 -15.058  -2.644
   89    HA   PRO  11           HA       PRO  11   3.299 -14.036   0.337
   90   1HB   PRO  11          1HB       PRO  11   4.206 -14.333  -2.508
   91   2HB   PRO  11          2HB       PRO  11   4.832 -15.160  -1.055
   92   1HG   PRO  11          1HG       PRO  11   3.167 -16.518  -2.711
   93   2HG   PRO  11          2HG       PRO  11   2.904 -16.600  -0.943
   94   1HD   PRO  11          2HD       PRO  11   1.527 -14.824  -2.954
   95   2HD   PRO  11          1HD       PRO  11   0.770 -15.849  -1.683
   96    NH1  ARG  12           NH2      ARG  12   1.546  -7.776   3.374
   97    NH2  ARG  12           NH1      ARG  12   2.624  -6.086   2.298
   98    H    ARG  12           H        ARG  12   4.920 -12.401   0.382
   99    HA   ARG  12           HA       ARG  12   3.887  -9.824  -0.477
  100   1HB   ARG  12          1HB       ARG  12   6.544 -10.474   0.841
  101   2HB   ARG  12          2HB       ARG  12   5.761  -8.904   0.759
  102   1HG   ARG  12          2HG       ARG  12   4.819 -11.345   2.333
  103   2HG   ARG  12          1HG       ARG  12   5.476  -9.843   2.978
  104   1HD   ARG  12          2HD       ARG  12   2.793 -10.178   1.562
  105   2HD   ARG  12          1HD       ARG  12   3.090  -9.929   3.285
  106    HE   ARG  12           HE       ARG  12   4.187  -7.857   1.509
  107   1HH1  ARG  12          2HH2      ARG  12   1.397  -8.744   3.610
  108   2HH1  ARG  12          1HH2      ARG  12   0.936  -7.036   3.737
  109   1HH2  ARG  12          1HH1      ARG  12   3.384  -5.695   1.767
  110   2HH2  ARG  12          2HH1      ARG  12   1.919  -5.476   2.721
  111    H    ALA  13           H        ALA  13   5.195  -8.199  -1.486
  112    HA   ALA  13           HA       ALA  13   7.369  -8.899  -3.285
  113   1HB   ALA  13          2HB       ALA  13   4.709  -7.786  -4.318
  114   2HB   ALA  13          3HB       ALA  13   6.207  -7.944  -5.257
  115   3HB   ALA  13          1HB       ALA  13   5.366  -9.398  -4.681
  116    H    THR  14           H        THR  14   8.599  -6.896  -3.648
  117    HA   THR  14           HA       THR  14   7.535  -4.393  -2.638
  118    HB   THR  14           HB       THR  14   8.170  -5.387  -0.513
  119    HG1  THR  14           HG1      THR  14   8.921  -3.257  -0.799
  120   1HG2  THR  14          2HG2      THR  14  10.837  -6.086  -1.789
  121   2HG2  THR  14          3HG2      THR  14  10.441  -6.240  -0.063
  122   3HG2  THR  14          1HG2      THR  14   9.588  -7.240  -1.249
  123    H    LYS  15           H        LYS  15   9.215  -2.735  -2.662
  124    HA   LYS  15           HA       LYS  15  11.300  -3.068  -4.728
  125   1HB   LYS  15          2HB       LYS  15  10.405  -1.096  -5.999
  126   2HB   LYS  15          1HB       LYS  15   9.402  -2.552  -6.100
  127   1HG   LYS  15          2HG       LYS  15   7.801  -1.646  -4.490
  128   2HG   LYS  15          1HG       LYS  15   8.842  -0.263  -4.154
  129   1HD   LYS  15          2HD       LYS  15   7.011   0.385  -5.593
  130   2HD   LYS  15          1HD       LYS  15   8.551   0.571  -6.454
  131   1HE   LYS  15          1HE       LYS  15   8.135  -1.511  -7.704
  132   2HE   LYS  15          2HE       LYS  15   6.688  -1.839  -6.730
  133   1HZ   LYS  15          2HZ       LYS  15   7.056   0.447  -8.534
  134   2HZ   LYS  15          3HZ       LYS  15   6.159  -0.899  -8.846
  135   3HZ   LYS  15          1HZ       LYS  15   5.706   0.128  -7.641
  136    H    THR  16           H        THR  16  12.804  -1.374  -4.746
  137    HA   THR  16           HA       THR  16  13.011   0.188  -2.220
  138    HB   THR  16           HB       THR  16  15.071  -0.328  -4.411
  139    HG1  THR  16           HG1      THR  16  14.355  -2.202  -3.189
  140   1HG2  THR  16          3HG2      THR  16  15.333   0.742  -1.557
  141   2HG2  THR  16          2HG2      THR  16  16.675   0.393  -2.665
  142   3HG2  THR  16          1HG2      THR  16  15.537   1.698  -3.044
  143    H    CYS  17           H        CYS  17  11.584   1.915  -2.606
  144    HA   CYS  17           HA       CYS  17  11.691   3.274  -5.252
  145   1HB   CYS  17          1HB       CYS  17   9.540   2.632  -3.856
  146   2HB   CYS  17          2HB       CYS  17   9.982   4.154  -3.052
  147    H    VAL  18           H        VAL  18  11.433   5.761  -4.939
  148    HA   VAL  18           HA       VAL  18  13.804   6.738  -3.498
  149    HB   VAL  18           HB       VAL  18  11.777   8.149  -5.299
  150   1HG1  VAL  18          2HG2      VAL  18  14.460   9.087  -4.186
  151   2HG1  VAL  18          3HG2      VAL  18  13.494   9.940  -5.407
  152   3HG1  VAL  18          1HG2      VAL  18  12.866   9.750  -3.766
  153   1HG2  VAL  18          1HG1      VAL  18  14.594   7.116  -5.850
  154   2HG2  VAL  18          3HG1      VAL  18  13.091   6.460  -6.531
  155   3HG2  VAL  18          2HG1      VAL  18  13.614   8.092  -6.963
  156    H    GLU  19           H        GLU  19  10.333   7.578  -3.691
  157    HA   GLU  19           HA       GLU  19  10.011   9.438  -1.790
  158   1HB   GLU  19          1HB       GLU  19   8.147   7.021  -2.068
  159   2HB   GLU  19          2HB       GLU  19   7.718   8.581  -1.361
  160   1HG   GLU  19          1HG       GLU  19   8.432   8.040  -4.223
  161   2HG   GLU  19          2HG       GLU  19   6.850   8.495  -3.596
  162    H    ASN  20           H        ASN  20   9.748   9.705   0.318
  163    HA   ASN  20           HA       ASN  20  10.930   7.810   2.156
  164   1HB   ASN  20          1HB       ASN  20  11.108  10.239   2.476
  165   2HB   ASN  20          2HB       ASN  20   9.348  10.355   2.660
  166   1HD2  ASN  20          1HD2      ASN  20   9.550   9.599   6.113
  167   2HD2  ASN  20          2HD2      ASN  20   8.660  10.361   4.809
  168    H    THR  21           H        THR  21   7.697   8.341   0.842
  169    HA   THR  21           HA       THR  21   6.409   6.921   3.104
  170    HB   THR  21           HB       THR  21   4.368   8.023   1.944
  171    HG1  THR  21           HG1      THR  21   5.012   9.920   0.762
  172   1HG2  THR  21          1HG2      THR  21   6.489   9.786   3.256
  173   2HG2  THR  21          3HG2      THR  21   4.764  10.179   3.099
  174   3HG2  THR  21          2HG2      THR  21   5.267   8.807   4.099
  175    H    CYS  22           H        CYS  22   4.667   5.484   2.558
  176    HA   CYS  22           HA       CYS  22   4.597   4.382  -0.177
  177   1HB   CYS  22          1HB       CYS  22   4.570   2.643   2.230
  178   2HB   CYS  22          2HB       CYS  22   4.796   2.183   0.548
  179    OH   TYR  23           OH       TYR  23  -0.420   1.973  -5.759
  180    H    TYR  23           H        TYR  23   2.532   3.740  -0.590
  181    HA   TYR  23           HA       TYR  23   0.461   3.967   1.543
  182   1HB   TYR  23          1HB       TYR  23  -1.163   4.135  -0.131
  183   2HB   TYR  23          2HB       TYR  23   0.196   5.141  -0.525
  184    HD1  TYR  23           HD2      TYR  23  -1.673   2.045  -1.388
  185    HD2  TYR  23           HD1      TYR  23   1.509   4.650  -2.654
  186    HE1  TYR  23           HE2      TYR  23  -1.811   1.112  -3.676
  187    HE2  TYR  23           HE1      TYR  23   1.286   3.806  -4.953
  188    HH   TYR  23           HH       TYR  23  -1.118   1.318  -5.898
  189    H    LYS  24           H        LYS  24  -1.254   2.653   1.623
  190    HA   LYS  24           HA       LYS  24  -1.062  -0.063   0.501
  191   1HB   LYS  24          1HB       LYS  24  -1.801  -1.167   2.482
  192   2HB   LYS  24          2HB       LYS  24  -0.339  -0.252   2.858
  193   1HG   LYS  24          1HG       LYS  24  -1.781   1.520   3.915
  194   2HG   LYS  24          2HG       LYS  24  -3.197   0.497   3.568
  195   1HD   LYS  24          2HD       LYS  24  -2.722  -0.174   5.762
  196   2HD   LYS  24          1HD       LYS  24  -1.866  -1.386   4.805
  197   1HE   LYS  24          1HE       LYS  24   0.101   0.442   5.002
  198   2HE   LYS  24          2HE       LYS  24  -0.783   0.892   6.456
  199   1HZ   LYS  24          1HZ       LYS  24   0.110  -1.848   5.824
  200   2HZ   LYS  24          2HZ       LYS  24   0.922  -0.805   6.818
  201   3HZ   LYS  24          3HZ       LYS  24  -0.584  -1.344   7.226
  202    H    MET  25           H        MET  25  -2.889  -0.554  -0.509
  203    HA   MET  25           HA       MET  25  -5.152   1.364  -0.496
  204   1HB   MET  25          1HB       MET  25  -3.739   1.362  -2.423
  205   2HB   MET  25          2HB       MET  25  -3.954  -0.365  -2.572
  206   1HG   MET  25          2HG       MET  25  -6.258  -0.109  -3.246
  207   2HG   MET  25          1HG       MET  25  -6.234   1.622  -2.854
  208   1HE   MET  25          1HE       MET  25  -6.871  -0.226  -5.655
  209   2HE   MET  25          3HE       MET  25  -7.315   1.508  -5.649
  210   3HE   MET  25          2HE       MET  25  -6.276   0.856  -6.932
  211    H    PHE  26           H        PHE  26  -7.208   0.613  -0.217
  212    HA   PHE  26           HA       PHE  26  -7.774  -2.301  -0.105
  213   1HB   PHE  26          1HB       PHE  26  -8.952  -1.783   2.115
  214   2HB   PHE  26          2HB       PHE  26  -7.201  -1.850   2.153
  215    HD1  PHE  26           HD2      PHE  26 -10.087   0.550   2.182
  216    HD2  PHE  26           HD1      PHE  26  -5.808   0.103   2.484
  217    HE1  PHE  26           HE2      PHE  26  -9.922   2.776   3.250
  218    HE2  PHE  26           HE1      PHE  26  -5.639   2.483   3.055
  219    HZ   PHE  26           HZ       PHE  26  -7.671   3.779   3.662
  220    H    ILE  27           H        ILE  27 -10.135  -2.683   0.041
  221    HA   ILE  27           HA       ILE  27 -11.587  -0.801  -1.654
  222    HB   ILE  27           HB       ILE  27 -12.469  -3.345  -0.227
  223   1HG1  ILE  27          2HG1      ILE  27 -11.796  -2.713  -3.149
  224   2HG1  ILE  27          1HG1      ILE  27 -10.788  -3.648  -2.035
  225   1HG2  ILE  27          3HG2      ILE  27 -14.378  -1.769  -0.597
  226   2HG2  ILE  27          1HG2      ILE  27 -13.937  -1.659  -2.311
  227   3HG2  ILE  27          2HG2      ILE  27 -14.516  -3.181  -1.628
  228   1HD1  ILE  27          1HD1      ILE  27 -12.680  -5.298  -1.807
  229   2HD1  ILE  27          2HD1      ILE  27 -13.498  -4.442  -3.141
  230   3HD1  ILE  27          3HD1      ILE  27 -11.926  -5.204  -3.415
  231    NH1  ARG  28           NH2      ARG  28 -13.016   6.898   0.365
  232    NH2  ARG  28           NH1      ARG  28 -12.271   6.343  -1.734
  233    H    ARG  28           H        ARG  28 -12.875   0.768  -0.938
  234    HA   ARG  28           HA       ARG  28 -12.537   2.011   1.507
  235   1HB   ARG  28          2HB       ARG  28 -13.563   2.848  -0.661
  236   2HB   ARG  28          1HB       ARG  28 -15.091   2.135  -0.152
  237   1HG   ARG  28          1HG       ARG  28 -15.161   3.574   1.838
  238   2HG   ARG  28          2HG       ARG  28 -13.552   4.219   1.464
  239   1HD   ARG  28          2HD       ARG  28 -16.025   4.528  -0.297
  240   2HD   ARG  28          1HD       ARG  28 -15.400   5.768   0.770
  241    HE   ARG  28           HE       ARG  28 -14.289   4.881  -1.810
  242   1HH1  ARG  28          2HH2      ARG  28 -13.669   6.810   1.126
  243   2HH1  ARG  28          1HH2      ARG  28 -12.177   7.461   0.466
  244   1HH2  ARG  28          1HH1      ARG  28 -12.210   5.651  -2.474
  245   2HH2  ARG  28          2HH1      ARG  28 -11.458   6.935  -1.579
  246    H    THR  29           H        THR  29 -15.302  -0.003   0.575
  247    HA   THR  29           HA       THR  29 -16.633   0.125   3.122
  248    HB   THR  29           HB       THR  29 -17.982  -1.775   2.059
  249    HG1  THR  29           HG1      THR  29 -16.936  -2.715   0.462
  250   1HG2  THR  29          1HG2      THR  29 -17.572   0.772   0.421
  251   2HG2  THR  29          3HG2      THR  29 -18.974  -0.313   0.338
  252   3HG2  THR  29          2HG2      THR  29 -18.643   0.591   1.827
  253    H    HIS  30           H        HIS  30 -13.851  -1.710   2.184
  254    HA   HIS  30           HA       HIS  30 -14.199  -3.510   4.528
  255   1HB   HIS  30          1HB       HIS  30 -13.141  -4.480   1.855
  256   2HB   HIS  30          2HB       HIS  30 -13.557  -5.440   3.281
  257    HD1  HIS  30           HD1      HIS  30 -16.397  -4.674   3.901
  258    HD2  HIS  30           HD2      HIS  30 -15.021  -4.738  -0.051
  259    HE1  HIS  30           HE1      HIS  30 -18.435  -4.627   2.397
  260    NH1  ARG  31           NH2      ARG  31  -7.656   1.721   7.612
  261    NH2  ARG  31           NH1      ARG  31  -7.052  -0.207   6.476
  262    H    ARG  31           H        ARG  31 -12.934  -1.210   4.735
  263    HA   ARG  31           HA       ARG  31 -10.374  -0.957   3.777
  264   1HB   ARG  31          1HB       ARG  31 -10.079   0.744   5.409
  265   2HB   ARG  31          2HB       ARG  31 -11.763   0.752   4.948
  266   1HG   ARG  31          1HG       ARG  31 -12.305   0.704   7.120
  267   2HG   ARG  31          2HG       ARG  31 -11.732  -0.954   7.205
  268   1HD   ARG  31          2HD       ARG  31 -10.231   1.612   7.800
  269   2HD   ARG  31          1HD       ARG  31 -10.614   0.314   8.941
  270    HE   ARG  31           HE       ARG  31  -9.103  -1.147   7.493
  271   1HH1  ARG  31          1HH2      ARG  31  -8.293   2.202   8.227
  272   2HH1  ARG  31          2HH2      ARG  31  -6.807   2.189   7.313
  273   1HH2  ARG  31          1HH1      ARG  31  -7.345  -1.089   6.064
  274   2HH2  ARG  31          2HH1      ARG  31  -6.192   0.229   6.161
  275    H    GLU  32           H        GLU  32 -11.393  -3.025   6.403
  276    HA   GLU  32           HA       GLU  32  -8.760  -3.536   7.453
  277   1HB   GLU  32          2HB       GLU  32 -10.004  -5.314   8.697
  278   2HB   GLU  32          1HB       GLU  32 -10.812  -3.755   8.820
  279   1HG   GLU  32          1HG       GLU  32 -11.700  -5.435   6.486
  280   2HG   GLU  32          2HG       GLU  32 -11.992  -6.138   8.056
  281    OH   TYR  33           OH       TYR  33  -6.830 -10.857   0.366
  282    H    TYR  33           H        TYR  33  -8.961  -3.965   4.604
  283    HA   TYR  33           HA       TYR  33  -7.576  -6.539   4.486
  284   1HB   TYR  33          1HB       TYR  33 -10.002  -7.112   4.081
  285   2HB   TYR  33          2HB       TYR  33  -9.966  -6.054   2.664
  286    HD1  TYR  33           HD2      TYR  33  -8.487  -9.105   4.219
  287    HD2  TYR  33           HD1      TYR  33  -8.908  -6.815   0.589
  288    HE1  TYR  33           HE2      TYR  33  -7.346 -10.900   2.956
  289    HE2  TYR  33           HE1      TYR  33  -7.792  -8.630  -0.678
  290    HH   TYR  33           HH       TYR  33  -6.516 -11.555   0.958
  291    H    ILE  34           H        ILE  34  -5.700  -5.897   3.572
  292    HA   ILE  34           HA       ILE  34  -5.621  -3.542   1.845
  293    HB   ILE  34           HB       ILE  34  -3.397  -5.480   2.552
  294   1HG1  ILE  34          1HG1      ILE  34  -4.192  -4.655   4.652
  295   2HG1  ILE  34          2HG1      ILE  34  -2.732  -3.770   4.240
  296   1HG2  ILE  34          1HG2      ILE  34  -3.436  -2.616   1.473
  297   2HG2  ILE  34          2HG2      ILE  34  -1.984  -3.494   1.996
  298   3HG2  ILE  34          3HG2      ILE  34  -2.918  -4.065   0.606
  299   1HD1  ILE  34          2HD1      ILE  34  -4.164  -1.834   3.483
  300   2HD1  ILE  34          1HD1      ILE  34  -5.599  -2.733   4.025
  301   3HD1  ILE  34          3HD1      ILE  34  -4.364  -2.253   5.191
  302    H    SER  35           H        SER  35  -5.894  -3.584  -0.232
  303    HA   SER  35           HA       SER  35  -6.231  -6.153  -1.679
  304   1HB   SER  35          1HB       SER  35  -7.043  -3.315  -2.408
  305   2HB   SER  35          2HB       SER  35  -7.521  -4.811  -3.235
  306    HG   SER  35           HG       SER  35  -8.019  -4.561  -0.465
  307    H    GLU  36           H        GLU  36  -4.343  -3.094  -1.710
  308    HA   GLU  36           HA       GLU  36  -2.386  -4.243  -3.575
  309   1HB   GLU  36          2HB       GLU  36  -3.939  -3.274  -5.157
  310   2HB   GLU  36          1HB       GLU  36  -4.116  -1.809  -4.204
  311   1HG   GLU  36          1HG       GLU  36  -1.711  -1.232  -4.705
  312   2HG   GLU  36          2HG       GLU  36  -1.639  -2.657  -5.763
  313    NH1  ARG  37           NH2      ARG  37  -0.900  -6.114   1.722
  314    NH2  ARG  37           NH1      ARG  37  -1.479  -6.450  -0.499
  315    H    ARG  37           H        ARG  37  -0.455  -2.655  -3.625
  316    HA   ARG  37           HA       ARG  37  -0.338  -0.677  -1.468
  317   1HB   ARG  37          1HB       ARG  37   1.298  -3.237  -1.597
  318   2HB   ARG  37          2HB       ARG  37   2.010  -1.765  -0.954
  319   1HG   ARG  37          1HG       ARG  37   0.890  -1.701   0.921
  320   2HG   ARG  37          2HG       ARG  37  -0.601  -2.339   0.248
  321   1HD   ARG  37          2HD       ARG  37   1.842  -4.028   0.808
  322   2HD   ARG  37          1HD       ARG  37   0.416  -3.882   1.844
  323    HE   ARG  37           HE       ARG  37   0.176  -4.780  -1.013
  324   1HH1  ARG  37          2HH2      ARG  37  -0.343  -5.657   2.452
  325   2HH1  ARG  37          1HH2      ARG  37  -1.579  -6.803   2.007
  326   1HH2  ARG  37          2HH1      ARG  37  -1.323  -6.206  -1.470
  327   2HH2  ARG  37          1HH1      ARG  37  -2.102  -7.217  -0.255
  328    H    GLY  38           H        GLY  38   1.694   0.598  -1.669
  329   1HA   GLY  38          2HA       GLY  38   3.437   0.150  -3.887
  330   2HA   GLY  38          1HA       GLY  38   2.201   1.279  -4.422
  331    H    CYS  39           H        CYS  39   4.485   2.244  -4.694
  332    HA   CYS  39           HA       CYS  39   5.841   3.416  -2.434
  333   1HB   CYS  39          2HB       CYS  39   7.067   2.832  -4.415
  334   2HB   CYS  39          1HB       CYS  39   5.994   3.791  -5.449
  335    H    GLY  40           H        GLY  40   5.879   5.610  -1.727
  336   1HA   GLY  40          1HA       GLY  40   5.017   7.673  -1.332
  337   2HA   GLY  40          2HA       GLY  40   4.544   7.753  -3.037
  338    H    CYS  41           H        CYS  41   2.473   8.682  -2.357
  339    HA   CYS  41           HA       CYS  41   0.415   6.679  -1.810
  340   1HB   CYS  41          1HB       CYS  41   1.419   7.770   0.257
  341   2HB   CYS  41          2HB       CYS  41   0.684   9.268  -0.250
  342    HA   PRO  42           HA       PRO  42  -1.486   9.655  -4.689
  343   1HB   PRO  42          2HB       PRO  42  -2.474   7.942  -6.539
  344   2HB   PRO  42          1HB       PRO  42  -0.750   8.381  -6.488
  345   1HG   PRO  42          1HG       PRO  42  -2.106   5.895  -5.400
  346   2HG   PRO  42          2HG       PRO  42  -0.580   5.984  -6.323
  347   1HD   PRO  42          1HD       PRO  42  -0.829   5.856  -3.535
  348   2HD   PRO  42          2HD       PRO  42   0.629   6.489  -4.378
  349    H    THR  43           H        THR  43  -3.841   9.750  -5.374
  350    HA   THR  43           HA       THR  43  -5.566   8.943  -3.176
  351    HB   THR  43           HB       THR  43  -7.169  10.057  -5.134
  352    HG1  THR  43           HG1      THR  43  -5.888  11.700  -6.088
  353   1HG2  THR  43          1HG2      THR  43  -5.364  11.517  -3.163
  354   2HG2  THR  43          3HG2      THR  43  -6.829  12.187  -3.925
  355   3HG2  THR  43          2HG2      THR  43  -6.961  10.816  -2.810
  356    H    ALA  44           H        ALA  44  -7.620   7.873  -3.583
  357    HA   ALA  44           HA       ALA  44  -7.884   6.152  -5.933
  358   1HB   ALA  44          3HB       ALA  44  -7.469   5.025  -3.134
  359   2HB   ALA  44          2HB       ALA  44  -8.110   4.101  -4.511
  360   3HB   ALA  44          1HB       ALA  44  -6.454   4.740  -4.559
  361    H    MET  45           H        MET  45 -10.031   6.100  -6.406
  362    HA   MET  45           HA       MET  45 -11.948   7.258  -4.483
  363   1HB   MET  45          2HB       MET  45 -12.025   6.817  -7.499
  364   2HB   MET  45          1HB       MET  45 -13.261   7.624  -6.522
  365   1HG   MET  45          1HG       MET  45 -11.455   9.259  -5.785
  366   2HG   MET  45          2HG       MET  45 -10.403   8.558  -7.014
  367   1HE   MET  45          3HE       MET  45 -10.905   8.598  -9.576
  368   2HE   MET  45          2HE       MET  45 -12.607   8.082  -9.444
  369   3HE   MET  45          1HE       MET  45 -12.194   9.563 -10.333
  370    CH2  TRP  46           CH2      TRP  46 -20.953   2.538  -4.592
  371    H    TRP  46           H        TRP  46 -14.079   6.332  -4.453
  372    HA   TRP  46           HA       TRP  46 -14.284   3.700  -3.724
  373   1HB   TRP  46          2HB       TRP  46 -15.976   5.635  -3.467
  374   2HB   TRP  46          1HB       TRP  46 -16.430   5.172  -5.079
  375    HD1  TRP  46           HD1      TRP  46 -15.837   2.980  -2.139
  376    HE1  TRP  46           HE1      TRP  46 -17.909   1.357  -1.830
  377    HE3  TRP  46           HE3      TRP  46 -18.760   4.973  -5.628
  378    HZ2  TRP  46           HZ2      TRP  46 -20.530   1.115  -3.018
  379    HZ3  TRP  46           HZ3      TRP  46 -21.081   4.087  -6.093
  380    HH2  TRP  46           HH2      TRP  46 -21.946   2.158  -4.785
  381    HA   PRO  47           HA       PRO  47 -15.428   1.489  -4.062
  382   1HB   PRO  47          2HB       PRO  47 -14.404  -0.922  -4.619
  383   2HB   PRO  47          1HB       PRO  47 -15.870  -0.288  -5.408
  384   1HG   PRO  47          1HG       PRO  47 -13.040  -0.177  -6.494
  385   2HG   PRO  47          2HG       PRO  47 -14.497  -0.812  -7.318
  386   1HD   PRO  47          1HD       PRO  47 -13.659   1.747  -7.724
  387   2HD   PRO  47          2HD       PRO  47 -15.401   1.386  -7.579
  388    OH   TYR  48           OH       TYR  48  -9.785  -3.700  -6.476
  389    H    TYR  48           H        TYR  48 -12.190   2.413  -5.067
  390    HA   TYR  48           HA       TYR  48 -10.995   0.984  -2.728
  391   1HB   TYR  48          2HB       TYR  48  -9.810   2.311  -5.167
  392   2HB   TYR  48          1HB       TYR  48  -8.843   1.760  -3.792
  393    HD1  TYR  48           HD2      TYR  48  -8.977  -0.730  -3.138
  394    HD2  TYR  48           HD1      TYR  48 -10.481   0.782  -6.884
  395    HE1  TYR  48           HE2      TYR  48  -9.059  -3.039  -4.043
  396    HE2  TYR  48           HE1      TYR  48 -10.492  -1.513  -7.805
  397    HH   TYR  48           HH       TYR  48 -10.081  -3.749  -7.386
  398    H    GLN  49           H        GLN  49  -9.439   2.021  -1.468
  399    HA   GLN  49           HA       GLN  49  -9.168   4.930  -1.574
  400   1HB   GLN  49          2HB       GLN  49 -11.064   4.526   0.046
  401   2HB   GLN  49          1HB       GLN  49  -9.929   3.483   0.924
  402   1HG   GLN  49          1HG       GLN  49 -10.239   5.703   1.975
  403   2HG   GLN  49          2HG       GLN  49  -8.571   5.264   1.641
  404   1HE2  GLN  49          2HE2      GLN  49  -8.016   8.237  -0.171
  405   2HE2  GLN  49          1HE2      GLN  49  -7.345   6.950   0.819
  406    H    THR  50           H        THR  50  -7.296   5.496  -0.664
  407    HA   THR  50           HA       THR  50  -5.214   3.461  -0.010
  408    HB   THR  50           HB       THR  50  -3.777   5.646  -0.646
  409    HG1  THR  50           HG1      THR  50  -4.752   6.785  -2.280
  410   1HG2  THR  50          3HG2      THR  50  -5.038   3.780  -2.689
  411   2HG2  THR  50          2HG2      THR  50  -3.587   4.781  -2.948
  412   3HG2  THR  50          1HG2      THR  50  -3.564   3.497  -1.731
  413    H    GLU  51           H        GLU  51  -3.832   3.783   1.715
  414    HA   GLU  51           HA       GLU  51  -4.063   6.291   3.282
  415   1HB   GLU  51          1HB       GLU  51  -4.364   5.320   5.343
  416   2HB   GLU  51          2HB       GLU  51  -5.566   4.538   4.321
  417   1HG   GLU  51          1HG       GLU  51  -3.713   2.704   3.996
  418   2HG   GLU  51          2HG       GLU  51  -2.926   3.536   5.338
  419    H    CYS  52           H        CYS  52  -2.090   6.954   4.036
  420    HA   CYS  52           HA       CYS  52   0.194   5.667   2.746
  421   1HB   CYS  52          1HB       CYS  52   0.275   8.251   4.251
  422   2HB   CYS  52          2HB       CYS  52   1.172   7.743   2.817
  423    H    CYS  53           H        CYS  53   2.289   5.629   3.904
  424    HA   CYS  53           HA       CYS  53   2.423   6.062   6.774
  425   1HB   CYS  53          2HB       CYS  53   3.232   3.847   7.327
  426   2HB   CYS  53          1HB       CYS  53   1.591   3.731   6.673
  427    H    LYS  54           H        LYS  54   4.801   5.675   7.445
  428    HA   LYS  54           HA       LYS  54   6.720   6.111   5.255
  429   1HB   LYS  54          1HB       LYS  54   7.845   7.575   6.990
  430   2HB   LYS  54          2HB       LYS  54   6.466   8.295   6.146
  431   1HG   LYS  54          1HG       LYS  54   5.031   7.905   8.103
  432   2HG   LYS  54          2HG       LYS  54   6.349   7.047   8.934
  433   1HD   LYS  54          1HD       LYS  54   7.710   9.120   8.905
  434   2HD   LYS  54          2HD       LYS  54   6.399   9.972   8.061
  435   1HE   LYS  54          1HE       LYS  54   4.884   9.548   9.991
  436   2HE   LYS  54          2HE       LYS  54   6.192   8.692  10.832
  437   1HZ   LYS  54          3HZ       LYS  54   6.231  11.517  10.033
  438   2HZ   LYS  54          1HZ       LYS  54   5.993  10.943  11.558
  439   3HZ   LYS  54          2HZ       LYS  54   7.446  10.722  10.814
  440    H    GLY  55           H        GLY  55   8.697   5.112   5.689
  441   1HA   GLY  55          2HA       GLY  55  10.197   4.091   7.343
  442   2HA   GLY  55          1HA       GLY  55   8.827   3.235   8.053
  443    H    ASP  56           H        ASP  56  11.186   2.037   7.006
  444    HA   ASP  56           HA       ASP  56  10.872   1.130   4.324
  445   1HB   ASP  56          2HB       ASP  56  12.538   0.201   6.684
  446   2HB   ASP  56          1HB       ASP  56  12.511  -0.678   5.153
  447    NH1  ARG  57           NH2      ARG  57   9.047  -7.821   6.318
  448    NH2  ARG  57           NH1      ARG  57  10.594  -7.435   7.996
  449    H    ARG  57           H        ARG  57   9.561  -0.168   3.501
  450    HA   ARG  57           HA       ARG  57   7.743  -1.448   3.182
  451   1HB   ARG  57          1HB       ARG  57   7.895  -3.725   3.874
  452   2HB   ARG  57          2HB       ARG  57   9.465  -3.181   3.332
  453   1HG   ARG  57          1HG       ARG  57  10.392  -3.233   5.513
  454   2HG   ARG  57          2HG       ARG  57   8.796  -3.279   6.298
  455   1HD   ARG  57          2HD       ARG  57   8.314  -5.432   5.397
  456   2HD   ARG  57          1HD       ARG  57   9.843  -5.491   4.486
  457    HE   ARG  57           HE       ARG  57  10.645  -5.110   7.079
  458   1HH1  ARG  57          2HH2      ARG  57   8.462  -7.489   5.558
  459   2HH1  ARG  57          1HH2      ARG  57   8.962  -8.785   6.603
  460   1HH2  ARG  57          1HH1      ARG  57  11.227  -6.810   8.474
  461   2HH2  ARG  57          2HH1      ARG  57  10.510  -8.389   8.313
  462    H    CYS  58           H        CYS  58   7.356   0.604   5.230
  463    HA   CYS  58           HA       CYS  58   5.931  -0.381   7.447
  464   1HB   CYS  58          1HB       CYS  58   4.990   1.839   7.575
  465   2HB   CYS  58          2HB       CYS  58   6.694   1.940   7.137
  466    H    ASN  59           H        ASN  59   4.935  -0.102   4.060
  467    HA   ASN  59           HA       ASN  59   2.102  -0.107   4.650
  468   1HB   ASN  59          1HB       ASN  59   1.873  -0.029   2.254
  469   2HB   ASN  59          2HB       ASN  59   2.949   1.241   2.804
  470   1HD2  ASN  59          2HD2      ASN  59   4.156  -0.688  -0.320
  471   2HD2  ASN  59          1HD2      ASN  59   2.847   0.365   0.144
  472    H    LYS  60           H        LYS  60   2.719  -2.172   5.924
  473    HA   LYS  60           HA       LYS  60   2.902  -4.666   4.527
  474   1HB   LYS  60          1HB       LYS  60   3.321  -4.353   6.960
  475   2HB   LYS  60          2HB       LYS  60   1.582  -4.086   7.209
  476   1HG   LYS  60          2HG       LYS  60   1.101  -6.344   6.343
  477   2HG   LYS  60          1HG       LYS  60   2.823  -6.609   6.010
  478   1HD   LYS  60          1HD       LYS  60   3.316  -6.314   8.450
  479   2HD   LYS  60          2HD       LYS  60   1.584  -6.123   8.767
  480   1HE   LYS  60          2HE       LYS  60   2.916  -8.605   7.566
  481   2HE   LYS  60          1HE       LYS  60   2.395  -8.427   9.250
  482   1HZ   LYS  60          3HZ       LYS  60   0.152  -8.153   8.465
  483   2HZ   LYS  60          1HZ       LYS  60   0.634  -8.355   6.903
  484   3HZ   LYS  60          2HZ       LYS  60   0.781  -9.595   7.976
   
   
  No H/Q in entry =         484