*HEADER    ANTIMICROBIAL PROTEIN                   16-JUN-09   2KK9              
*TITLE     ANTI-GROUP A STREPTOCOCCAL VACCINE EPITOPE: STRUCTURE, STABILITY AND  
*TITLE    2 ITS ABILITY TO INTERACT WITH HLA CLASS II MOLECULES                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: M PROTEIN, SEROTYPE 5;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 300-354;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: A 55-MER-LONG SYNTHETIC PEPTIDE                       
*KEYWDS    S. PYOGENES, M5 PROTEIN, SYNTHETIC PEPTIDE VACCINE, CELL WALL, COILED 
*KEYWDS   2 COIL, PEPTIDOGLYCAN-ANCHOR, PHAGOCYTOSIS, SECRETED, VIRULENCE,       
*KEYWDS   3 UNKNOWN FUNCTION, ANTIMICROBIAL PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    L.GUILHERME, M.P.ALBA, M.E.PATARROYO, J.KALIL                         
*REVDAT   1   16-JUN-10 2KK9    0                                                


!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_3:HD1*    1:LEU_3:HD2*    1:LEU_3:CD1     1:LEU_3:CD2     1:LEU_3:CG
1:LEU_7:HD2*    1:LEU_7:HD1*    1:LEU_7:CD2     1:LEU_7:CD1     1:LEU_7:CG
1:LEU_17:HD1*   1:LEU_17:HD2*   1:LEU_17:CD1    1:LEU_17:CD2    1:LEU_17:CG
1:LEU_24:HD1*   1:LEU_24:HD2*   1:LEU_24:CD1    1:LEU_24:CD2    1:LEU_24:CG
1:LEU_38:HD1*   1:LEU_38:HD2*   1:LEU_38:CD1    1:LEU_38:CD2    1:LEU_38:CG
1:VAL_52:HG1*   1:VAL_52:HG2*   1:VAL_52:CG1    1:VAL_52:CG2    1:VAL_52:CB
!
#chiral
1:LYSn_1:CA        S
1:LEU_3:CA         S
1:ARG_4:CA         S
1:ARG_5:CA         S
1:ASP_6:CA         S
1:LEU_7:CA         S
1:ASP_8:CA         S
1:ALA_9:CA         S
1:SER_10:CA        S
1:ARG_11:CA        S
1:GLU_12:CA        S
1:ALA_13:CA        S
1:LYS_14:CA        S
1:LYS_15:CA        S
1:GLN_16:CA        S
1:LEU_17:CA        S
1:GLU_18:CA        S
1:ALA_19:CA        S
1:GLU_20:CA        S
1:GLN_21:CA        S
1:GLN_22:CA        S
1:LYS_23:CA        S
1:LEU_24:CA        S
1:GLU_25:CA        S
1:GLU_26:CA        S
1:GLN_27:CA        S
1:ASN_28:CA        S
1:LYS_29:CA        S
1:ILE_30:CA        S
1:ILE_30:CB        S
1:SER_31:CA        S
1:GLU_32:CA        S
1:ALA_33:CA        S
1:SER_34:CA        S
1:ARG_35:CA        S
1:LYS_36:CA        S
1:LEU_38:CA        S
1:ARG_39:CA        S
1:ARG_40:CA        S
1:ASP_41:CA        S
1:LEU_42:CA        S
1:ASP_43:CA        S
1:ALA_44:CA        S
1:SER_45:CA        S
1:ARG_46:CA        S
1:GLU_47:CA        S
1:ALA_48:CA        S
1:LYS_49:CA        S
1:LYS_50:CA        S
1:GLN_51:CA        S
1:VAL_52:CA        S
1:GLU_53:CA        S
1:LYS_54:CA        S
1:ALA_55:CA        S
!
#distance
1:LEU_24:O         1:ASN_28:HN         1.800  2.500 30.00 30.00 1000.000
!
#NOE_distance
1:GLY_2:HN         1:GLY_2:HAR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLY_2:HN         1:GLY_2:HAS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_3:HN         1:LEU_3:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:ARG_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_5:HN         1:ARG_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_6:HN         1:ASP_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_7:HN         1:LEU_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_8:HN         1:ASP_8:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_9:HN         1:ALA_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_10:HN        1:SER_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_11:HN        1:ARG_11:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_12:HN        1:GLU_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_13:HN        1:ALA_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HN        1:LYS_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HN        1:LYS_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_16:HN        1:GLN_16:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HN        1:LEU_17:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_18:HN        1:GLU_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_19:HN        1:ALA_19:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_20:HN        1:GLU_20:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_21:HN        1:GLN_21:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_22:HN        1:GLN_21:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_23:HN        1:LYS_23:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_24:HN        1:LEU_24:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_25:HN        1:GLU_25:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_26:HN        1:GLU_26:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_27:HN        1:GLN_27:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_28:HN        1:ASN_28:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_29:HN        1:LYS_29:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_30:HN        1:ILE_30:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_31:HN        1:SER_31:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_32:HN        1:GLU_32:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_33:HN        1:ALA_33:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_34:HN        1:SER_34:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_35:HN        1:ARG_35:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_36:HN        1:LYS_36:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLY_37:HN        1:GLY_37:HAR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_38:HN        1:LEU_38:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HN        1:ARG_39:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_40:HN        1:ARG_40:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_41:HN        1:ASP_41:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_42:HN        1:LEU_42:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_43:HN        1:ASP_43:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_44:HN        1:ALA_44:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_45:HN        1:SER_45:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_46:HN        1:ARG_46:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_47:HN        1:GLU_47:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_48:HN        1:ALA_48:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_49:HN        1:LYS_49:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_50:HN        1:LYS_50:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_51:HN        1:GLN_51:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HN        1:VAL_52:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_53:HN        1:GLU_53:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_54:HN        1:LYS_54:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_55:HN        1:ALA_55:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLY_2:HN         1:LYSn_1:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_3:HN         1:GLY_2:HAR         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:LEU_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_5:HN         1:ARG_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_6:HN         1:ARG_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_7:HN         1:ASP_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_8:HN         1:LEU_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium
1:ALA_9:HN         1:ASP_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:SER_10:HN        1:ALA_9:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_11:HN        1:SER_10:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_12:HN        1:ARG_11:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_13:HN        1:GLU_12:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HN        1:ALA_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HN        1:LYS_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_16:HN        1:LYS_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HN        1:GLN_16:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_18:HN        1:LEU_17:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_19:HN        1:GLU_18:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_20:HN        1:ALA_19:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_21:HN        1:GLU_20:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_23:HN        1:GLN_22:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_24:HN        1:LYS_23:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_25:HN        1:LEU_24:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_26:HN        1:GLU_25:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_28:HN        1:GLN_27:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_29:HN        1:ASN_28:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_30:HN        1:LYS_29:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_31:HN        1:ILE_30:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_32:HN        1:SER_31:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_33:HN        1:GLU_32:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_34:HN        1:ALA_33:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_35:HN        1:SER_34:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_36:HN        1:ARG_35:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLY_37:HN        1:LYS_36:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HN        1:LEU_38:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_40:HN        1:ARG_39:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_41:HN        1:ARG_40:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_42:HN        1:ASP_41:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASP_43:HN        1:LEU_42:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_44:HN        1:ASP_43:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_45:HN        1:ALA_44:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_46:HN        1:SER_45:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_47:HN        1:ARG_46:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_48:HN        1:GLU_47:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_49:HN        1:ALA_48:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_50:HN        1:LYS_49:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_51:HN        1:LYS_50:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HN        1:GLN_51:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_53:HN        1:VAL_52:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_54:HN        1:GLU_53:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_55:HN        1:LYS_54:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYSn_1:HB*       1:LYSn_1:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYSn_1:HG*       1:LYSn_1:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLY_2:HAR        1:GLY_2:HAS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_3:HN         1:LEU_3:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_3:HN         1:LEU_3:HDR*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_3:HN         1:LEU_3:HDS*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_3:HB*        1:LEU_3:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_3:HDR*       1:LEU_3:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_3:HDS*       1:LEU_3:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:ARG_4:HBR         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:ARG_4:HBS         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ARG_4:HN         1:ARG_4:HG*         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HBR        1:ARG_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HD*        1:ARG_4:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_5:HN         1:ARG_5:HBR         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_5:HN         1:ARG_5:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_5:HN         1:ARG_5:HG*         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ARG_5:HBR        1:ARG_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_5:HBS        1:ARG_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_5:HG*        1:ARG_5:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_5:HD*        1:ARG_5:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_6:HN         1:ASP_6:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_6:HB*        1:ASP_6:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_7:HN         1:LEU_7:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_7:HN         1:LEU_7:HDS*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_7:HB*        1:LEU_7:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_7:HDR*       1:LEU_7:HA          3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_7:HDS*       1:LEU_7:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_8:HN         1:ASP_8:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HB*        1:ASP_8:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_9:HN         1:ALA_9:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_9:HB*        1:ALA_9:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_10:HN        1:SER_10:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_10:HB*       1:SER_10:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_11:HN        1:ARG_11:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_11:HN        1:ARG_11:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ARG_11:HN        1:ARG_11:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_11:HBR       1:ARG_11:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_11:HBS       1:ARG_11:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_11:HG*       1:ARG_11:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_11:HD*       1:ARG_11:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_12:HN        1:GLU_12:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_12:HN        1:GLU_12:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_12:HB*       1:GLU_12:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_12:HG*       1:GLU_12:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_13:HN        1:ALA_13:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_13:HB*       1:ALA_13:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_14:HN        1:LYS_14:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HN        1:LYS_14:HGR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HN        1:LYS_14:HGS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HB*       1:LYS_14:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_14:HGR       1:LYS_14:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_14:HGS       1:LYS_14:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_14:HE*       1:LYS_14:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HN        1:LYS_15:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_15:HN        1:LYS_15:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HN        1:LYS_15:HGR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HN        1:LYS_15:HGS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_15:HBR       1:LYS_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HBS       1:LYS_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HGR       1:LYS_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_15:HGS       1:LYS_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_15:HE*       1:LYS_15:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_16:HN        1:GLN_16:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_16:HN        1:GLN_16:HG*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_16:HB*       1:GLN_16:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_16:HG*       1:GLN_16:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HN        1:LEU_17:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HB*       1:LEU_17:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HDR*      1:LEU_17:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HDS*      1:LEU_17:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_18:HN        1:GLU_18:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_18:HN        1:GLU_18:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_18:HB*       1:GLU_18:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_18:HG*       1:GLU_18:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_19:HN        1:ALA_19:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_19:HB*       1:ALA_19:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_20:HN        1:GLU_20:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_20:HN        1:GLU_20:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_20:HB*       1:GLU_20:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_20:HG*       1:GLU_20:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_21:HN        1:GLN_21:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_21:HN        1:GLN_21:HGS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_21:HN        1:GLN_21:HGR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_21:HB*       1:GLN_21:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_21:HGS       1:GLN_21:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_21:HGR       1:GLN_21:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_22:HN        1:GLN_22:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_22:HN        1:GLN_22:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_22:HN        1:GLN_22:HG*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_22:HBS       1:GLN_22:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_22:HBR       1:GLN_22:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_22:HG*       1:GLN_22:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_23:HN        1:LYS_23:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_23:HN        1:LYS_23:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_23:HB*       1:LYS_23:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_23:HG*       1:LYS_23:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_23:HE*       1:LYS_23:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_24:HN        1:LEU_24:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_24:HN        1:LEU_24:HDR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_24:HN        1:LEU_24:HDS*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_24:HB*       1:LEU_24:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_24:HDR*      1:LEU_24:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_24:HDS*      1:LEU_24:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_25:HN        1:GLU_25:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_25:HN        1:GLU_25:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_25:HB*       1:GLU_25:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_25:HG*       1:GLU_25:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_26:HN        1:GLU_26:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_26:HN        1:GLU_26:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_26:HB*       1:GLU_26:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_26:HG*       1:GLU_26:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_27:HN        1:GLN_27:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_27:HN        1:GLN_27:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_27:HB*       1:GLN_27:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_27:HG*       1:GLN_27:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_28:HN        1:ASN_28:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_28:HB*       1:ASN_28:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_29:HN        1:LYS_29:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_29:HN        1:LYS_29:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_29:HN        1:LYS_29:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_29:HBR       1:LYS_29:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_29:HBS       1:LYS_29:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_29:HG*       1:LYS_29:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_29:HE*       1:LYS_29:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_30:HN        1:ILE_30:HB         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_30:HN        1:ILE_30:HG1R       2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_30:HN        1:ILE_30:HG1S       3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_30:HN        1:ILE_30:HD1*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_30:HB        1:ILE_30:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_30:HG1R      1:ILE_30:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_30:HG1S      1:ILE_30:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_30:HD1*      1:ILE_30:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_31:HN        1:SER_31:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_31:HB*       1:SER_31:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_32:HN        1:GLU_32:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_32:HN        1:GLU_32:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_32:HB*       1:GLU_32:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_32:HG*       1:GLU_32:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_33:HN        1:ALA_33:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_33:HB*       1:ALA_33:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_34:HN        1:SER_34:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_34:HB*       1:SER_34:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_35:HN        1:ARG_35:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_35:HN        1:ARG_35:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_35:HN        1:ARG_35:HGS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_35:HN        1:ARG_35:HGR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_35:HBR       1:ARG_35:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_35:HBS       1:ARG_35:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_35:HGS       1:ARG_35:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_35:HGR       1:ARG_35:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ARG_35:HD*       1:ARG_35:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_36:HN        1:LYS_36:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_36:HN        1:LYS_36:HGR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_36:HN        1:LYS_36:HGS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_36:HB*       1:LYS_36:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_36:HGR       1:LYS_36:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_36:HGS       1:LYS_36:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_36:HE*       1:LYS_36:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLY_37:HAR       1:GLY_37:HAS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_38:HN        1:LEU_38:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_38:HN        1:LEU_38:HDR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_38:HN        1:LEU_38:HDS*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_38:HB*       1:LEU_38:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_38:HDR*      1:LEU_38:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_38:HDS*      1:LEU_38:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HN        1:ARG_39:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_39:HN        1:ARG_39:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_39:HN        1:ARG_39:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HBR       1:ARG_39:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HBS       1:ARG_39:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HG*       1:ARG_39:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HD*       1:ARG_39:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_40:HN        1:ARG_40:HB1        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_43:HB*       1:ASP_43:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_44:HN        1:ALA_44:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_44:HB*       1:ALA_44:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_45:HN        1:SER_45:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_45:HB*       1:SER_45:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_46:HN        1:ARG_46:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_46:HN        1:ARG_46:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_46:HN        1:ARG_46:HG*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_46:HBR       1:ARG_46:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_46:HBS       1:ARG_46:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_46:HG*       1:ARG_46:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_46:HD*       1:ARG_46:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_47:HN        1:GLU_47:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_47:HN        1:GLU_47:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_47:HB*       1:GLU_47:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_47:HG*       1:GLU_47:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_48:HN        1:ALA_48:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_48:HB*       1:ALA_48:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_49:HN        1:LYS_49:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_49:HN        1:LYS_49:HGR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_49:HN        1:LYS_49:HGS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_49:HB*       1:LYS_49:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_49:HGR       1:LYS_49:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_49:HGS       1:LYS_49:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_49:HE*       1:LYS_49:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_50:HN        1:LYS_50:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_50:HN        1:LYS_50:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_50:HN        1:LYS_50:HGR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_50:HN        1:LYS_50:HGS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_50:HBR       1:LYS_50:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_50:HBS       1:LYS_50:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_50:HGR       1:LYS_50:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_50:HGS       1:LYS_50:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_50:HE*       1:LYS_50:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_51:HN        1:GLN_51:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_51:HN        1:GLN_51:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_51:HB*       1:GLN_51:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_51:HG*       1:GLN_51:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HN        1:VAL_52:HB         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HN        1:VAL_52:HGR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HN        1:VAL_52:HGS*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HB        1:VAL_52:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HGR*      1:VAL_52:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_52:HGS*      1:VAL_52:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_53:HN        1:GLU_53:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_53:HN        1:GLU_53:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_53:HB*       1:GLU_53:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_53:HG*       1:GLU_53:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_54:HN        1:LYS_54:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_54:HN        1:LYS_54:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_54:HB*       1:LYS_54:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_54:HG*       1:LYS_54:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_54:HE*       1:LYS_54:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_55:HN        1:ALA_55:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_55:HB*       1:ALA_55:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLY_2:HN         1:LEU_3:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_3:HN         1:ARG_4:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_4:HN         1:ARG_5:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_5:HN         1:ASP_6:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_7:HN         1:ASP_8:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASP_8:HN         1:ALA_9:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_9:HN         1:SER_10:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_11:HN        1:SER_10:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ARG_11:HN        1:GLU_12:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_12:HN        1:ALA_13:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_13:HN        1:LYS_14:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_14:HN        1:LYS_15:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_15:HN        1:GLN_16:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_16:HN        1:LEU_17:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HN        1:GLU_18:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ALA_19:HN        1:GLU_20:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_21:HN        1:GLU_20:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_22:HN        1:GLN_21:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_23:HN        1:GLN_22:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_23:HN        1:LEU_24:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_25:HN        1:LEU_24:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLU_25:HN        1:GLU_26:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_27:HN        1:GLU_26:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_27:HN        1:ASN_28:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_29:HN        1:ASN_28:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_29:HN        1:ILE_30:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_31:HN        1:ILE_30:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_31:HN        1:GLU_32:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_33:HN        1:GLU_32:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_33:HN        1:SER_34:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_35:HN        1:SER_34:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_35:HN        1:LYS_36:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLY_37:HN        1:LYS_36:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLY_37:HN        1:LEU_38:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HN        1:LEU_38:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_39:HN        1:ARG_40:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_41:HN        1:ARG_40:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_41:HN        1:LEU_42:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_43:HN        1:ALA_44:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_45:HN        1:ALA_44:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_45:HN        1:ARG_46:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_47:HN        1:ARG_46:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_47:HN        1:ALA_48:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_49:HN        1:ALA_48:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_49:HN        1:LYS_50:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLN_51:HN        1:LYS_50:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_51:HN        1:VAL_52:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_53:HN        1:VAL_52:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_53:HN        1:LYS_54:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_55:HN        1:LYS_54:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ALA_13:HN        1:ARG_11:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HN        1:GLU_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_15:HN        1:ALA_13:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_16:HN        1:LYS_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_18:HN        1:GLN_16:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_19:HN        1:LEU_17:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_20:HN        1:GLU_18:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_22:HN        1:GLU_20:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_24:HN        1:GLN_22:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_25:HN        1:LYS_23:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_27:HN        1:GLU_25:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_28:HN        1:GLU_26:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:SER_31:HN        1:LYS_29:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_48:HN        1:ARG_46:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_49:HN        1:GLU_47:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_50:HN        1:ALA_48:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_7:HN         1:ARG_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASP_8:HN         1:ARG_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_13:HN        1:SER_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HN        1:ARG_11:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_15:HN        1:GLU_12:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HN        1:LYS_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_18:HN        1:LYS_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_19:HN        1:GLN_16:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_20:HN        1:LEU_17:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_21:HN        1:GLU_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_22:HN        1:ALA_19:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_23:HN        1:GLU_20:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_25:HN        1:GLN_22:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_26:HN        1:LYS_23:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLN_27:HN        1:LEU_24:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_28:HN        1:GLU_25:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_29:HN        1:GLU_26:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_30:HN        1:GLN_27:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_33:HN        1:ILE_30:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_49:HN        1:ARG_46:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_50:HN        1:GLU_47:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASP_8:HN         1:ARG_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_9:HN         1:ARG_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_14:HN        1:SER_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_15:HN        1:ARG_11:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_16:HN        1:GLU_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_18:HN        1:LYS_14:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_19:HN        1:LYS_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_20:HN        1:GLN_16:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_21:HN        1:LEU_17:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_22:HN        1:GLU_18:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LEU_24:HN        1:GLU_20:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_26:HN        1:GLN_22:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_29:HN        1:GLU_25:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_30:HN        1:GLU_26:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:SER_31:HN        1:GLN_27:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_33:HN        1:LYS_29:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_49:HN        1:SER_45:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_50:HN        1:ARG_46:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLN_51:HN        1:GLU_47:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ALA_13:HB*       1:SER_10:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_14:HB*       1:ARG_11:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HB*       1:LYS_14:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_18:HB*       1:LYS_15:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_20:HB*       1:LEU_17:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_23:HB*       1:GLU_20:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_25:HB*       1:GLN_22:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
!
#mixing_times
4.000000E+02 
!
#NMR_dihedral
1:LYSn_1:CA        1:LYSn_1:C         1:GLY_2:N          1:GLY_2:CA         178.000 180.000 500.00 500.00 1000.000
1:GLY_2:CA         1:GLY_2:C          1:LEU_3:N          1:LEU_3:CA         178.000 180.000 500.00 500.00 1000.000
1:LEU_3:CA         1:LEU_3:C          1:ARG_4:N          1:ARG_4:CA         178.000 180.000 500.00 500.00 1000.000
1:ARG_4:CA         1:ARG_4:C          1:ARG_5:N          1:ARG_5:CA         178.000 180.000 500.00 500.00 1000.000
1:ARG_5:CA         1:ARG_5:C          1:ASP_6:N          1:ASP_6:CA         178.000 180.000 500.00 500.00 1000.000
1:ASP_6:CA         1:ASP_6:C          1:LEU_7:N          1:LEU_7:CA         178.000 180.000 500.00 500.00 1000.000
1:LEU_7:CA         1:LEU_7:C          1:ASP_8:N          1:ASP_8:CA         178.000 180.000 500.00 500.00 1000.000
1:ASP_8:CA         1:ASP_8:C          1:ALA_9:N          1:ALA_9:CA         178.000 180.000 500.00 500.00 1000.000
1:ALA_9:CA         1:ALA_9:C          1:SER_10:N         1:SER_10:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_10:CA        1:SER_10:C         1:ARG_11:N         1:ARG_11:CA        178.000 180.000 500.00 500.00 1000.000
1:ARG_11:CA        1:ARG_11:C         1:GLU_12:N         1:GLU_12:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_12:CA        1:GLU_12:C         1:ALA_13:N         1:ALA_13:CA        178.000 180.000 500.00 500.00 1000.000
1:ALA_13:CA        1:ALA_13:C         1:LYS_14:N         1:LYS_14:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_14:CA        1:LYS_14:C         1:LYS_15:N         1:LYS_15:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_15:CA        1:LYS_15:C         1:GLN_16:N         1:GLN_16:CA        178.000 180.000 500.00 500.00 1000.000
1:GLN_16:CA        1:GLN_16:C         1:LEU_17:N         1:LEU_17:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_17:CA        1:LEU_17:C         1:GLU_18:N         1:GLU_18:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_18:CA        1:GLU_18:C         1:ALA_19:N         1:ALA_19:CA        178.000 180.000 500.00 500.00 1000.000
1:ALA_19:CA        1:ALA_19:C         1:GLU_20:N         1:GLU_20:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_20:CA        1:GLU_20:C         1:GLN_21:N         1:GLN_21:CA        178.000 180.000 500.00 500.00 1000.000
1:GLN_21:CA        1:GLN_21:C         1:GLN_22:N         1:GLN_22:CA        178.000 180.000 500.00 500.00 1000.000
1:GLN_22:CA        1:GLN_22:C         1:LYS_23:N         1:LYS_23:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_23:CA        1:LYS_23:C         1:LEU_24:N         1:LEU_24:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_24:CA        1:LEU_24:C         1:GLU_25:N         1:GLU_25:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_25:CA        1:GLU_25:C         1:GLU_26:N         1:GLU_26:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_26:CA        1:GLU_26:C         1:GLN_27:N         1:GLN_27:CA        178.000 180.000 500.00 500.00 1000.000
1:GLN_27:CA        1:GLN_27:C         1:ASN_28:N         1:ASN_28:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_28:CA        1:ASN_28:C         1:LYS_29:N         1:LYS_29:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_29:CA        1:LYS_29:C         1:ILE_30:N         1:ILE_30:CA        178.000 180.000 500.00 500.00 1000.000
1:ILE_30:CA        1:ILE_30:C         1:SER_31:N         1:SER_31:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_31:CA        1:SER_31:C         1:GLU_32:N         1:GLU_32:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_32:CA        1:GLU_32:C         1:ALA_33:N         1:ALA_33:CA        178.000 180.000 500.00 500.00 1000.000
1:ALA_33:CA        1:ALA_33:C         1:SER_34:N         1:SER_34:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_34:CA        1:SER_34:C         1:ARG_35:N         1:ARG_35:CA        178.000 180.000 500.00 500.00 1000.000
1:ARG_35:CA        1:ARG_35:C         1:LYS_36:N         1:LYS_36:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_36:CA        1:LYS_36:C         1:GLY_37:N         1:GLY_37:CA        178.000 180.000 500.00 500.00 1000.000
1:GLY_37:CA        1:GLY_37:C         1:LEU_38:N         1:LEU_38:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_38:CA        1:LEU_38:C         1:ARG_39:N         1:ARG_39:CA        178.000 180.000 500.00 500.00 1000.000
1:ARG_39:CA        1:ARG_39:C         1:ARG_40:N         1:ARG_40:CA        178.000 180.000 500.00 500.00 1000.000
1:ARG_40:CA        1:ARG_40:C         1:ASP_41:N         1:ASP_41:CA        178.000 180.000 500.00 500.00 1000.000
1:ASP_41:CA        1:ASP_41:C         1:LEU_42:N         1:LEU_42:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_42:CA        1:LEU_42:C         1:ASP_43:N         1:ASP_43:CA        178.000 180.000 500.00 500.00 1000.000
1:ASP_43:CA        1:ASP_43:C         1:ALA_44:N         1:ALA_44:CA        178.000 180.000 500.00 500.00 1000.000
1:ALA_44:CA        1:ALA_44:C         1:SER_45:N         1:SER_45:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_45:CA        1:SER_45:C         1:ARG_46:N         1:ARG_46:CA        178.000 180.000 500.00 500.00 1000.000
1:ARG_46:CA        1:ARG_46:C         1:GLU_47:N         1:GLU_47:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_47:CA        1:GLU_47:C         1:ALA_48:N         1:ALA_48:CA        178.000 180.000 500.00 500.00 1000.000
1:ALA_48:CA        1:ALA_48:C         1:LYS_49:N         1:LYS_49:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_49:CA        1:LYS_49:C         1:LYS_50:N         1:LYS_50:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_50:CA        1:LYS_50:C         1:GLN_51:N         1:GLN_51:CA        178.000 180.000 500.00 500.00 1000.000
1:GLN_51:CA        1:GLN_51:C         1:VAL_52:N         1:VAL_52:CA        178.000 180.000 500.00 500.00 1000.000
1:VAL_52:CA        1:VAL_52:C         1:GLU_53:N         1:GLU_53:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_53:CA        1:GLU_53:C         1:LYS_54:N         1:LYS_54:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_54:CA        1:LYS_54:C         1:ALA_55:N         1:ALA_55:CA        178.000 180.000 500.00 500.00 1000.000

  Entry H atom name         Submitted Coord H atom name
    1    H1   LYS   1           H1       LYS   1  11.105 -25.842  -0.740
    2    H2   LYS   1           H2       LYS   1  12.183 -26.420  -1.824
    3    HA   LYS   1           HA       LYS   1  13.012 -26.637   0.361
    4    HB2  LYS   1           HB2      LYS   1  14.474 -24.526  -1.399
    5    HB3  LYS   1           HB1      LYS   1  15.245 -25.271  -0.031
    6    HG2  LYS   1           HG1      LYS   1  14.260 -26.768  -2.526
    7    HG3  LYS   1           HG2      LYS   1  15.909 -26.293  -2.198
    8    HD2  LYS   1           HD1      LYS   1  14.295 -28.337  -0.541
    9    HD3  LYS   1           HD2      LYS   1  15.454 -28.718  -1.803
   10    HE2  LYS   1           HE2      LYS   1  17.315 -27.625  -0.452
   11    HE3  LYS   1           HE1      LYS   1  16.160 -27.277   0.844
   12    HZ1  LYS   1           HZ1      LYS   1  17.385 -29.303   1.238
   13    HZ2  LYS   1           HZ2      LYS   1  16.875 -29.973  -0.163
   14    H    GLY   2           H        GLY   2  14.462 -25.058   2.009
   15    HA2  GLY   2           HA1      GLY   2  14.356 -23.512   3.756
   16    HA3  GLY   2           HA2      GLY   2  13.305 -22.552   2.733
   17    H    LEU   3           H        LEU   3  12.898 -25.706   4.531
   18    HA   LEU   3           HA       LEU   3  10.256 -24.730   5.632
   19    HB2  LEU   3           HB2      LEU   3  11.540 -27.529   5.519
   20    HB3  LEU   3           HB1      LEU   3   9.953 -27.193   6.154
   21    HG   LEU   3           HG       LEU   3  10.812 -26.688   3.230
   22   HD11  LEU   3          HD21      LEU   3   9.082 -28.906   4.455
   23   HD12  LEU   3          HD22      LEU   3  10.752 -29.077   3.838
   24   HD13  LEU   3          HD23      LEU   3   9.431 -28.668   2.713
   25   HD21  LEU   3          HD11      LEU   3   8.001 -26.433   4.491
   26   HD22  LEU   3          HD12      LEU   3   8.978 -25.109   3.804
   27   HD23  LEU   3          HD13      LEU   3   8.363 -26.384   2.743
   28    H    ARG   4           H        ARG   4  11.753 -23.288   6.921
   29    HA   ARG   4           HA       ARG   4  11.982 -24.455   9.750
   30    HB2  ARG   4           HB2      ARG   4  14.159 -22.765   8.383
   31    HB3  ARG   4           HB1      ARG   4  14.044 -22.943  10.119
   32    HG2  ARG   4           HG2      ARG   4  14.481 -25.297   8.180
   33    HG3  ARG   4           HG1      ARG   4  15.742 -24.421   9.033
   34    HD2  ARG   4           HD1      ARG   4  14.666 -25.097  11.277
   35    HD3  ARG   4           HD2      ARG   4  13.505 -26.062  10.383
   36   HH11  ARG   4          HH21      ARG   4  16.694 -24.996  11.565
   37   HH12  ARG   4          HH22      ARG   4  18.197 -26.008  11.855
   38   HH21  ARG   4          HH11      ARG   4  16.938 -28.756  10.206
   39   HH22  ARG   4          HH12      ARG   4  18.323 -27.992  11.137
   40    H    ARG   5           H        ARG   5   9.934 -23.518   9.945
   41    HA   ARG   5           HA       ARG   5  10.060 -20.537  10.706
   42    HB2  ARG   5           HB1      ARG   5   8.703 -21.233   8.465
   43    HB3  ARG   5           HB2      ARG   5   7.584 -21.988   9.563
   44    HG2  ARG   5           HG1      ARG   5   6.681 -19.851   9.030
   45    HG3  ARG   5           HG2      ARG   5   7.213 -19.706  10.700
   46    HD2  ARG   5           HD2      ARG   5   9.305 -18.493   9.943
   47    HD3  ARG   5           HD1      ARG   5   8.846 -18.738   8.250
   48   HH11  ARG   5          HH12      ARG   5   9.937 -16.737   8.368
   49   HH12  ARG   5          HH11      ARG   5   9.540 -14.959   8.147
   50   HH21  ARG   5          HH22      ARG   5   6.332 -15.292   9.353
   51   HH22  ARG   5          HH21      ARG   5   7.637 -14.199   8.668
   52    H    ASP   6           H        ASP   6  10.836 -21.871  12.615
   53    HA   ASP   6           HA       ASP   6   8.920 -21.621  14.731
   54    HB2  ASP   6           HB1      ASP   6   8.737 -23.886  15.633
   55    HB3  ASP   6           HB2      ASP   6   7.956 -23.745  14.080
   56    HD2  ASP   6           HD2      ASP   6  10.028 -25.389  15.915
   57    H    LEU   7           H        LEU   7  11.893 -23.401  13.937
   58    HA   LEU   7           HA       LEU   7  13.207 -22.882  16.537
   59    HB2  LEU   7           HB1      LEU   7  14.520 -23.730  13.897
   60    HB3  LEU   7           HB2      LEU   7  15.317 -23.720  15.456
   61    HG   LEU   7           HG       LEU   7  12.913 -25.503  14.733
   62   HD11  LEU   7          HD11      LEU   7  15.902 -26.236  14.964
   63   HD12  LEU   7          HD12      LEU   7  14.563 -27.374  14.665
   64   HD13  LEU   7          HD13      LEU   7  14.956 -26.137  13.460
   65   HD21  LEU   7          HD21      LEU   7  12.956 -25.093  17.200
   66   HD22  LEU   7          HD22      LEU   7  13.440 -26.760  16.851
   67   HD23  LEU   7          HD23      LEU   7  14.676 -25.549  17.276
   68    H    ASP   8           H        ASP   8  13.665 -21.387  13.343
   69    HA   ASP   8           HA       ASP   8  15.613 -19.366  14.284
   70    HB2  ASP   8           HB1      ASP   8  15.478 -20.191  11.909
   71    HB3  ASP   8           HB2      ASP   8  13.941 -19.376  11.692
   72    HD2  ASP   8           HD2      ASP   8  13.905 -17.312  11.455
   73    H    ALA   9           H        ALA   9  12.094 -19.078  13.492
   74    HA   ALA   9           HA       ALA   9  10.425 -17.613  14.232
   75    HB1  ALA   9           HB1      ALA   9  12.212 -17.019  16.639
   76    HB2  ALA   9           HB2      ALA   9  10.469 -16.706  16.483
   77    HB3  ALA   9           HB3      ALA   9  11.069 -18.376  16.468
   78    H    SER  10           H        SER  10  11.566 -16.467  12.088
   79    HA   SER  10           HA       SER  10  12.408 -13.640  12.651
   80    HB2  SER  10           HB2      SER  10  13.374 -15.114  10.837
   81    HB3  SER  10           HB1      SER  10  11.829 -15.060   9.981
   82    HG   SER  10           HG       SER  10  13.309 -13.476   9.322
   83    H    ARG  11           H        ARG  11  10.729 -12.673  13.630
   84    HA   ARG  11           HA       ARG  11   8.259 -11.998  11.972
   85    HB2  ARG  11           HB2      ARG  11   8.333 -12.582  15.035
   86    HB3  ARG  11           HB1      ARG  11   6.972 -11.762  14.323
   87    HG2  ARG  11           HG1      ARG  11   7.889 -14.629  13.621
   88    HG3  ARG  11           HG2      ARG  11   6.606 -14.206  14.744
   89    HD2  ARG  11           HD2      ARG  11   5.258 -13.159  12.892
   90    HD3  ARG  11           HD1      ARG  11   6.543 -13.529  11.727
   91   HH11  ARG  11          HH12      ARG  11   4.302 -13.675  10.840
   92   HH12  ARG  11          HH11      ARG  11   3.267 -15.003  10.110
   93   HH21  ARG  11          HH21      ARG  11   4.625 -17.464  12.101
   94   HH22  ARG  11          HH22      ARG  11   3.440 -17.003  10.778
   95    H    GLU  12           H        GLU  12   9.899 -10.983  14.984
   96    HA   GLU  12           HA       GLU  12   9.447  -8.162  14.590
   97    HB2  GLU  12           HB1      GLU  12  10.293  -9.441  16.749
   98    HB3  GLU  12           HB2      GLU  12  11.908  -9.292  16.111
   99    HG2  GLU  12           HG2      GLU  12   9.981  -6.952  16.759
  100    HG3  GLU  12           HG1      GLU  12  11.206  -7.573  17.846
  101    HE2  GLU  12           HE2      GLU  12  13.336  -7.676  16.927
  102    H    ALA  13           H        ALA  13  12.081 -10.227  13.465
  103    HA   ALA  13           HA       ALA  13  13.835  -8.232  12.233
  104    HB1  ALA  13           HB1      ALA  13  13.399 -11.238  11.602
  105    HB2  ALA  13           HB2      ALA  13  14.573 -10.578  12.756
  106    HB3  ALA  13           HB3      ALA  13  14.772 -10.274  11.016
  107    H    LYS  14           H        LYS  14  11.036 -10.066  10.971
  108    HA   LYS  14           HA       LYS  14  11.210  -8.938   8.204
  109    HB2  LYS  14           HB1      LYS  14   8.935 -10.416   9.771
  110    HB3  LYS  14           HB2      LYS  14   8.803 -10.068   8.077
  111    HG2  LYS  14           HG1      LYS  14  10.874 -12.111   9.207
  112    HG3  LYS  14           HG2      LYS  14   9.247 -12.414   8.818
  113    HD2  LYS  14           HD2      LYS  14  10.584 -13.140   6.956
  114    HD3  LYS  14           HD1      LYS  14   9.593 -11.805   6.419
  115    HE2  LYS  14           HE2      LYS  14  11.820 -11.637   5.427
  116    HE3  LYS  14           HE1      LYS  14  11.571 -10.253   6.472
  117    HZ1  LYS  14           HZ1      LYS  14  12.882 -11.416   8.185
  118    HZ2  LYS  14           HZ2      LYS  14  13.103 -12.697   7.194
  119    H    LYS  15           H        LYS  15   9.389  -8.014  11.089
  120    HA   LYS  15           HA       LYS  15   7.682  -6.055   9.706
  121    HB2  LYS  15           HB2      LYS  15   8.535  -6.572  12.630
  122    HB3  LYS  15           HB1      LYS  15   7.664  -5.124  12.285
  123    HG2  LYS  15           HG1      LYS  15   6.635  -7.929  11.549
  124    HG3  LYS  15           HG2      LYS  15   6.271  -7.125  13.062
  125    HD2  LYS  15           HD1      LYS  15   5.450  -6.125  10.262
  126    HD3  LYS  15           HD2      LYS  15   4.416  -7.000  11.362
  127    HE2  LYS  15           HE2      LYS  15   5.568  -4.177  11.907
  128    HE3  LYS  15           HE1      LYS  15   3.957  -4.528  11.296
  129    HZ1  LYS  15           HZ1      LYS  15   3.891  -4.151  13.635
  130    HZ2  LYS  15           HZ2      LYS  15   3.446  -5.695  13.332
  131    H    GLN  16           H        GLN  16  11.032  -5.975  10.339
  132    HA   GLN  16           HA       GLN  16  11.216  -2.926  10.516
  133    HB2  GLN  16           HB2      GLN  16  13.460  -5.076  10.734
  134    HB3  GLN  16           HB1      GLN  16  13.771  -3.355  10.739
  135    HG2  GLN  16           HG1      GLN  16  12.470  -3.065  12.868
  136    HG3  GLN  16           HG2      GLN  16  12.060  -4.768  12.893
  137   HE21  GLN  16          HE22      GLN  16  13.844  -6.324  13.178
  138   HE22  GLN  16          HE21      GLN  16  15.362  -5.770  14.046
  139    H    LEU  17           H        LEU  17  12.300  -5.615   8.458
  140    HA   LEU  17           HA       LEU  17  13.408  -3.938   6.311
  141    HB2  LEU  17           HB1      LEU  17  13.858  -6.446   6.767
  142    HB3  LEU  17           HB2      LEU  17  12.331  -6.805   6.011
  143    HG   LEU  17           HG       LEU  17  14.239  -7.235   4.572
  144   HD11  LEU  17          HD21      LEU  17  12.752  -4.865   3.300
  145   HD12  LEU  17          HD22      LEU  17  12.095  -6.515   3.439
  146   HD13  LEU  17          HD23      LEU  17  13.555  -6.212   2.472
  147   HD21  LEU  17          HD11      LEU  17  15.858  -5.533   5.444
  148   HD22  LEU  17          HD12      LEU  17  14.971  -4.239   4.601
  149   HD23  LEU  17          HD13      LEU  17  15.776  -5.525   3.671
  150    H    GLU  18           H        GLU  18  10.237  -5.500   6.667
  151    HA   GLU  18           HA       GLU  18   8.998  -4.398   4.243
  152    HB2  GLU  18           HB1      GLU  18   7.671  -5.363   6.897
  153    HB3  GLU  18           HB2      GLU  18   6.754  -4.968   5.460
  154    HG2  GLU  18           HG2      GLU  18   7.823  -6.824   4.164
  155    HG3  GLU  18           HG1      GLU  18   8.865  -7.221   5.524
  156    HE2  GLU  18           HE2      GLU  18   5.720  -7.153   4.341
  157    H    ALA  19           H        ALA  19   9.230  -2.955   7.549
  158    HA   ALA  19           HA       ALA  19   7.292  -0.804   7.094
  159    HB1  ALA  19           HB1      ALA  19   8.058  -1.365   9.380
  160    HB2  ALA  19           HB2      ALA  19   8.411   0.336   9.035
  161    HB3  ALA  19           HB3      ALA  19   9.726  -0.864   8.995
  162    H    GLU  20           H        GLU  20  10.733  -1.032   6.318
  163    HA   GLU  20           HA       GLU  20  11.066   1.794   5.442
  164    HB2  GLU  20           HB2      GLU  20  12.830  -0.669   4.827
  165    HB3  GLU  20           HB1      GLU  20  13.242   0.990   4.423
  166    HG2  GLU  20           HG2      GLU  20  13.274   1.618   6.873
  167    HG3  GLU  20           HG1      GLU  20  12.847  -0.033   7.311
  168    HE2  GLU  20           HE2      GLU  20  15.166   1.986   5.934
  169    H    GLN  21           H        GLN  21  10.641  -1.328   3.540
  170    HA   GLN  21           HA       GLN  21  10.569  -0.065   0.953
  171    HB2  GLN  21           HB2      GLN  21   9.039  -2.645   1.643
  172    HB3  GLN  21           HB1      GLN  21   9.584  -2.091   0.067
  173    HG2  GLN  21           HG2      GLN  21  12.033  -2.201   1.167
  174    HG3  GLN  21           HG1      GLN  21  11.261  -3.160   2.396
  175   HE21  GLN  21          HE22      GLN  21  12.447  -3.225  -0.838
  176   HE22  GLN  21          HE21      GLN  21  12.045  -4.986  -1.160
  177    H    GLN  22           H        GLN  22   7.895  -0.821   3.113
  178    HA   GLN  22           HA       GLN  22   5.764   0.208   1.347
  179    HB2  GLN  22           HB1      GLN  22   5.649  -0.132   4.461
  180    HB3  GLN  22           HB2      GLN  22   4.245   0.263   3.531
  181    HG2  GLN  22           HG2      GLN  22   4.350  -1.881   2.254
  182    HG3  GLN  22           HG1      GLN  22   5.855  -2.325   3.036
  183   HE21  GLN  22          HE21      GLN  22   2.421  -2.242   3.417
  184   HE22  GLN  22          HE22      GLN  22   2.394  -3.033   5.073
  185    H    LYS  23           H        LYS  23   7.609   1.859   3.897
  186    HA   LYS  23           HA       LYS  23   6.061   4.361   3.636
  187    HB2  LYS  23           HB1      LYS  23   7.415   3.679   5.755
  188    HB3  LYS  23           HB2      LYS  23   8.894   3.870   4.851
  189    HG2  LYS  23           HG1      LYS  23   8.529   5.781   6.310
  190    HG3  LYS  23           HG2      LYS  23   8.557   6.285   4.631
  191    HD2  LYS  23           HD2      LYS  23   6.857   7.561   5.783
  192    HD3  LYS  23           HD1      LYS  23   6.061   6.525   4.610
  193    HE2  LYS  23           HE2      LYS  23   5.439   4.901   6.489
  194    HE3  LYS  23           HE1      LYS  23   6.249   5.958   7.654
  195    HZ1  LYS  23           HZ1      LYS  23   3.962   6.746   5.932
  196    HZ2  LYS  23           HZ2      LYS  23   4.706   7.728   7.006
  197    H    LEU  24           H        LEU  24   9.094   3.278   2.172
  198    HA   LEU  24           HA       LEU  24   9.556   5.738   0.637
  199    HB2  LEU  24           HB2      LEU  24  10.464   2.836   0.111
  200    HB3  LEU  24           HB1      LEU  24  10.982   4.168  -0.888
  201    HG   LEU  24           HG       LEU  24  11.497   4.051   2.151
  202   HD11  LEU  24          HD21      LEU  24  13.817   3.423   1.547
  203   HD12  LEU  24          HD22      LEU  24  13.378   3.380  -0.186
  204   HD13  LEU  24          HD23      LEU  24  12.653   2.213   0.956
  205   HD21  LEU  24          HD11      LEU  24  11.559   6.409   1.342
  206   HD22  LEU  24          HD12      LEU  24  13.196   5.854   1.713
  207   HD23  LEU  24          HD13      LEU  24  12.659   5.960   0.015
  208    H    GLU  25           H        GLU  25   7.069   3.344   0.233
  209    HA   GLU  25           HA       GLU  25   6.774   3.753  -2.749
  210    HB2  GLU  25           HB1      GLU  25   6.409   1.445  -1.757
  211    HB3  GLU  25           HB2      GLU  25   5.095   2.067  -0.764
  212    HG2  GLU  25           HG2      GLU  25   3.789   2.639  -2.852
  213    HG3  GLU  25           HG1      GLU  25   5.120   2.061  -3.855
  214    HE2  GLU  25           HE2      GLU  25   5.580  -0.012  -3.879
  215    H    GLU  26           H        GLU  26   5.018   4.448   0.279
  216    HA   GLU  26           HA       GLU  26   2.954   6.114  -0.845
  217    HB2  GLU  26           HB1      GLU  26   2.956   5.098   1.466
  218    HB3  GLU  26           HB2      GLU  26   4.201   6.233   1.976
  219    HG2  GLU  26           HG1      GLU  26   2.574   8.158   1.561
  220    HG3  GLU  26           HG2      GLU  26   1.346   7.004   1.050
  221    HE2  GLU  26           HE2      GLU  26   0.551   5.915   4.236
  222    H    GLN  27           H        GLN  27   6.252   6.960   0.290
  223    HA   GLN  27           HA       GLN  27   6.019   9.869  -0.068
  224    HB2  GLN  27           HB2      GLN  27   7.588   8.710   1.515
  225    HB3  GLN  27           HB1      GLN  27   8.514   8.057   0.183
  226    HG2  GLN  27           HG2      GLN  27   8.145  11.081   0.737
  227    HG3  GLN  27           HG1      GLN  27   9.417  10.117   1.455
  228   HE21  GLN  27          HE22      GLN  27   9.048  12.281  -0.886
  229   HE22  GLN  27          HE21      GLN  27  10.358  11.712  -2.037
  230    H    ASN  28           H        ASN  28   7.193   7.274  -2.229
  231    HA   ASN  28           HA       ASN  28   8.162   9.189  -4.332
  232    HB2  ASN  28           HB1      ASN  28   7.720   6.151  -4.484
  233    HB3  ASN  28           HB2      ASN  28   8.331   7.124  -5.810
  234   HD21  ASN  28          HD21      ASN  28   9.771   5.034  -4.922
  235   HD22  ASN  28          HD22      ASN  28  11.308   5.646  -4.128
  236    H    LYS  29           H        LYS  29   5.201   7.222  -3.911
  237    HA   LYS  29           HA       LYS  29   3.974   8.035  -6.484
  238    HB2  LYS  29           HB2      LYS  29   3.497   5.837  -5.021
  239    HB3  LYS  29           HB1      LYS  29   2.660   6.894  -3.914
  240    HG2  LYS  29           HG1      LYS  29   1.035   5.778  -5.249
  241    HG3  LYS  29           HG2      LYS  29   0.980   7.472  -5.689
  242    HD2  LYS  29           HD1      LYS  29   2.403   6.933  -7.756
  243    HD3  LYS  29           HD2      LYS  29   2.346   5.230  -7.330
  244    HE2  LYS  29           HE2      LYS  29  -0.115   7.007  -7.969
  245    HE3  LYS  29           HE1      LYS  29   0.686   5.939  -9.116
  246    HZ1  LYS  29           HZ1      LYS  29   0.114   4.055  -7.697
  247    HZ2  LYS  29           HZ2      LYS  29  -0.630   5.033  -6.618
  248    H    ILE  30           H        ILE  30   4.142   9.795  -3.509
  249    HA   ILE  30           HA       ILE  30   3.049  11.676  -2.639
  250    HB   ILE  30           HB       ILE  30   2.426  12.257  -5.547
  251   HG12  ILE  30          HG11      ILE  30   4.795  11.799  -5.596
  252   HG13  ILE  30          HG12      ILE  30   4.521  13.498  -5.812
  253   HG21  ILE  30          HG21      ILE  30   2.838  14.230  -3.200
  254   HG22  ILE  30          HG22      ILE  30   1.317  13.935  -4.061
  255   HG23  ILE  30          HG23      ILE  30   2.651  14.710  -4.904
  256   HD11  ILE  30          HD11      ILE  30   6.491  13.016  -4.309
  257   HD12  ILE  30          HD12      ILE  30   5.271  14.018  -3.490
  258   HD13  ILE  30          HD13      ILE  30   5.397  12.286  -3.108
  259    H    SER  31           H        SER  31   1.532   9.438  -2.269
  260    HA   SER  31           HA       SER  31  -0.551   8.785  -1.478
  261    HB2  SER  31           HB2      SER  31  -0.513  10.928  -0.200
  262    HB3  SER  31           HB1      SER  31  -1.349  11.753  -1.521
  263    HG   SER  31           HG       SER  31  -3.046  10.231  -1.269
  264    H    GLU  32           H        GLU  32  -0.491   7.766  -3.605
  265    HA   GLU  32           HA       GLU  32  -1.450   7.025  -5.611
  266    HB2  GLU  32           HB2      GLU  32  -4.049   8.178  -4.449
  267    HB3  GLU  32           HB1      GLU  32  -3.938   7.051  -5.793
  268    HG2  GLU  32           HG2      GLU  32  -2.906   5.300  -4.283
  269    HG3  GLU  32           HG1      GLU  32  -3.032   6.404  -2.918
  270    HE2  GLU  32           HE2      GLU  32  -6.265   4.477  -4.369
  271    H    ALA  33           H        ALA  33  -0.131   9.488  -5.899
  272    HA   ALA  33           HA       ALA  33   0.320  11.102  -7.499
  273    HB1  ALA  33           HB1      ALA  33  -1.646   9.631  -9.346
  274    HB2  ALA  33           HB2      ALA  33  -0.445  10.851  -9.830
  275    HB3  ALA  33           HB3      ALA  33   0.094   9.298  -9.162
  276    H    SER  34           H        SER  34  -0.506  12.621  -6.029
  277    HA   SER  34           HA       SER  34  -3.262  13.833  -6.620
  278    HB2  SER  34           HB2      SER  34  -3.206  14.849  -4.453
  279    HB3  SER  34           HB1      SER  34  -2.970  13.110  -4.327
  280    HG   SER  34           HG       SER  34  -1.561  14.307  -3.019
  281    H    ARG  35           H        ARG  35  -1.709  14.539  -8.726
  282    HA   ARG  35           HA       ARG  35  -0.242  16.940  -8.438
  283    HB2  ARG  35           HB2      ARG  35  -1.952  15.806 -10.772
  284    HB3  ARG  35           HB1      ARG  35  -0.846  17.099 -11.039
  285    HG2  ARG  35           HG1      ARG  35   0.463  14.656  -9.765
  286    HG3  ARG  35           HG2      ARG  35  -0.370  14.324 -11.248
  287    HD2  ARG  35           HD1      ARG  35   0.981  16.095 -12.455
  288    HD3  ARG  35           HD2      ARG  35   1.795  16.518 -10.937
  289   HH11  ARG  35          HH22      ARG  35   3.191  16.699 -12.895
  290   HH12  ARG  35          HH21      ARG  35   4.722  15.892 -13.504
  291   HH21  ARG  35          HH12      ARG  35   3.953  12.851 -12.081
  292   HH22  ARG  35          HH11      ARG  35   5.123  13.859 -13.072
  293    H    LYS  36           H        LYS  36  -3.428  16.881 -10.058
  294    HA   LYS  36           HA       LYS  36  -3.960  19.724  -9.482
  295    HB2  LYS  36           HB2      LYS  36  -6.081  17.748 -10.449
  296    HB3  LYS  36           HB1      LYS  36  -5.902  19.422 -10.806
  297    HG2  LYS  36           HG1      LYS  36  -5.140  18.879 -12.760
  298    HG3  LYS  36           HG2      LYS  36  -3.637  18.243 -12.315
  299    HD2  LYS  36           HD1      LYS  36  -6.223  16.625 -12.599
  300    HD3  LYS  36           HD2      LYS  36  -4.860  16.679 -13.705
  301    HE2  LYS  36           HE1      LYS  36  -3.358  15.657 -11.924
  302    HE3  LYS  36           HE2      LYS  36  -4.734  15.581 -10.814
  303    HZ1  LYS  36           HZ1      LYS  36  -4.613  14.228 -13.451
  304    HZ2  LYS  36           HZ2      LYS  36  -5.872  14.155 -12.411
  305    H    GLY  37           H        GLY  37  -6.072  17.022  -8.499
  306    HA2  GLY  37           HA1      GLY  37  -6.199  17.157  -5.728
  307    HA3  GLY  37           HA2      GLY  37  -6.966  18.706  -6.092
  308    H    LEU  38           H        LEU  38  -8.965  18.676  -7.483
  309    HA   LEU  38           HA       LEU  38 -10.648  16.148  -7.151
  310    HB2  LEU  38           HB1      LEU  38 -11.132  17.894  -5.452
  311    HB3  LEU  38           HB2      LEU  38 -11.142  19.182  -6.607
  312    HG   LEU  38           HG       LEU  38 -13.332  18.544  -5.687
  313   HD11  LEU  38          HD11      LEU  38 -13.335  18.220  -8.734
  314   HD12  LEU  38          HD12      LEU  38 -14.571  18.975  -7.699
  315   HD13  LEU  38          HD13      LEU  38 -12.986  19.758  -7.910
  316   HD21  LEU  38          HD21      LEU  38 -14.611  16.572  -6.452
  317   HD22  LEU  38          HD22      LEU  38 -13.131  16.037  -5.625
  318   HD23  LEU  38          HD23      LEU  38 -13.224  15.993  -7.404
  319    H    ARG  39           H        ARG  39  -9.520  15.812  -9.522
  320    HA   ARG  39           HA       ARG  39 -11.136  17.282 -11.601
  321    HB2  ARG  39           HB1      ARG  39  -8.462  17.635 -11.024
  322    HB3  ARG  39           HB2      ARG  39  -8.323  16.140 -11.898
  323    HG2  ARG  39           HG1      ARG  39  -7.979  17.736 -13.564
  324    HG3  ARG  39           HG2      ARG  39  -9.658  17.314 -13.827
  325    HD2  ARG  39           HD1      ARG  39  -9.497  19.715 -14.037
  326    HD3  ARG  39           HD2      ARG  39 -10.357  19.416 -12.524
  327   HH11  ARG  39          HH12      ARG  39 -10.268  21.701 -12.900
  328   HH12  ARG  39          HH11      ARG  39  -9.486  23.175 -12.137
  329   HH21  ARG  39          HH22      ARG  39  -6.687  21.441 -11.122
  330   HH22  ARG  39          HH21      ARG  39  -7.593  23.035 -11.198
  331    H    ARG  40           H        ARG  40  -9.504  15.266 -13.068
  332    HA   ARG  40           HA       ARG  40 -11.775  13.316 -13.561
  333    HB2  ARG  40           HB1      ARG  40 -10.595  14.580 -15.399
  334    HB3  ARG  40           HB2      ARG  40  -9.179  13.563 -15.167
  335    HG2  ARG  40           HG1      ARG  40 -10.581  11.521 -15.696
  336    HG3  ARG  40           HG2      ARG  40 -12.011  12.521 -15.874
  337    HD2  ARG  40           HD2      ARG  40  -9.478  12.719 -17.639
  338    HD3  ARG  40           HD1      ARG  40 -10.906  11.805 -18.070
  339   HH11  ARG  40          HH22      ARG  40 -12.949  12.146 -18.334
  340   HH12  ARG  40          HH21      ARG  40 -14.149  13.253 -19.172
  341   HH21  ARG  40          HH12      ARG  40 -12.028  15.966 -19.112
  342   HH22  ARG  40          HH11      ARG  40 -13.660  15.270 -19.582
  343    H    ASP  41           H        ASP  41  -8.266  12.766 -13.288
  344    HA   ASP  41           HA       ASP  41  -8.496   9.902 -12.759
  345    HB2  ASP  41           HB2      ASP  41  -6.090  11.726 -12.166
  346    HB3  ASP  41           HB1      ASP  41  -6.066   9.983 -12.023
  347    HD2  ASP  41           HD2      ASP  41  -5.720  11.729 -15.596
  348    H    LEU  42           H        LEU  42  -7.804  12.503 -10.315
  349    HA   LEU  42           HA       LEU  42  -7.875  10.722  -8.061
  350    HB2  LEU  42           HB1      LEU  42  -8.387  13.748  -8.137
  351    HB3  LEU  42           HB2      LEU  42  -8.409  12.835  -6.657
  352    HG   LEU  42           HG       LEU  42  -6.349  13.914  -6.749
  353   HD11  LEU  42          HD11      LEU  42  -4.724  12.120  -6.403
  354   HD12  LEU  42          HD12      LEU  42  -5.664  10.981  -7.388
  355   HD13  LEU  42          HD13      LEU  42  -6.302  11.561  -5.829
  356   HD21  LEU  42          HD21      LEU  42  -4.638  13.802  -8.484
  357   HD22  LEU  42          HD22      LEU  42  -5.600  12.670  -9.458
  358   HD23  LEU  42          HD23      LEU  42  -6.160  14.343  -9.209
  359    H    ASP  43           H        ASP  43 -10.519  12.764  -9.278
  360    HA   ASP  43           HA       ASP  43 -12.535  11.231  -7.534
  361    HB2  ASP  43           HB1      ASP  43 -12.423  13.729  -7.380
  362    HB3  ASP  43           HB2      ASP  43 -12.906  13.867  -9.061
  363    HD2  ASP  43           HD2      ASP  43 -16.240  13.562  -8.357
  364    H    ALA  44           H        ALA  44 -11.694   9.464  -9.387
  365    HA   ALA  44           HA       ALA  44 -13.302   9.605 -11.894
  366    HB1  ALA  44           HB1      ALA  44 -11.398   7.423 -10.871
  367    HB2  ALA  44           HB2      ALA  44 -10.986   8.754 -11.974
  368    HB3  ALA  44           HB3      ALA  44 -12.136   7.507 -12.488
  369    H    SER  45           H        SER  45 -13.088   6.891  -9.585
  370    HA   SER  45           HA       SER  45 -16.150   6.594  -9.538
  371    HB2  SER  45           HB2      SER  45 -14.129   4.356 -10.098
  372    HB3  SER  45           HB1      SER  45 -15.859   4.151  -9.818
  373    HG   SER  45           HG       SER  45 -14.674   5.668 -11.896
  374    H    ARG  46           H        ARG  46 -14.954   4.245  -8.044
  375    HA   ARG  46           HA       ARG  46 -14.600   5.506  -5.251
  376    HB2  ARG  46           HB1      ARG  46 -16.268   3.126  -6.289
  377    HB3  ARG  46           HB2      ARG  46 -15.724   3.117  -4.665
  378    HG2  ARG  46           HG2      ARG  46 -17.410   5.388  -5.887
  379    HG3  ARG  46           HG1      ARG  46 -18.075   3.993  -5.050
  380    HD2  ARG  46           HD1      ARG  46 -16.931   4.650  -2.915
  381    HD3  ARG  46           HD2      ARG  46 -16.167   6.023  -3.689
  382   HH11  ARG  46          HH22      ARG  46 -16.767   7.700  -4.802
  383   HH12  ARG  46          HH21      ARG  46 -17.905   9.139  -4.747
  384   HH21  ARG  46          HH11      ARG  46 -20.254   7.494  -2.838
  385   HH22  ARG  46          HH12      ARG  46 -19.746   9.027  -3.710
  386    H    GLU  47           H        GLU  47 -12.155   5.361  -6.125
  387    HA   GLU  47           HA       GLU  47 -10.074   4.361  -6.027
  388    HB2  GLU  47           HB2      GLU  47 -11.420   2.208  -4.299
  389    HB3  GLU  47           HB1      GLU  47  -9.724   2.186  -4.656
  390    HG2  GLU  47           HG1      GLU  47 -11.122   4.541  -3.230
  391    HG3  GLU  47           HG2      GLU  47 -10.354   3.186  -2.427
  392    HE2  GLU  47           HE2      GLU  47  -8.164   6.203  -3.898
  393    H    ALA  48           H        ALA  48 -11.350   4.139  -8.412
  394    HA   ALA  48           HA       ALA  48 -11.259   2.901 -10.618
  395    HB1  ALA  48           HB1      ALA  48  -9.434   1.380 -10.992
  396    HB2  ALA  48           HB2      ALA  48  -9.063   1.252  -9.260
  397    HB3  ALA  48           HB3      ALA  48  -8.835   2.800 -10.112
  398    H    LYS  49           H        LYS  49 -13.454   2.388  -9.032
  399    HA   LYS  49           HA       LYS  49 -15.248   0.913  -8.784
  400    HB2  LYS  49           HB2      LYS  49 -13.936  -0.743 -10.981
  401    HB3  LYS  49           HB1      LYS  49 -15.530  -0.990 -10.284
  402    HG2  LYS  49           HG2      LYS  49 -16.012   1.544 -10.928
  403    HG3  LYS  49           HG1      LYS  49 -14.564   1.425 -11.906
  404    HD2  LYS  49           HD1      LYS  49 -16.421   1.062 -13.339
  405    HD3  LYS  49           HD2      LYS  49 -15.628  -0.492 -13.225
  406    HE2  LYS  49           HE2      LYS  49 -17.992   0.181 -11.334
  407    HE3  LYS  49           HE1      LYS  49 -18.321  -0.184 -13.024
  408    HZ1  LYS  49           HZ1      LYS  49 -16.873  -1.993 -11.182
  409    HZ2  LYS  49           HZ2      LYS  49 -17.197  -2.311 -12.752
  410    H    LYS  50           H        LYS  50 -13.445   0.785  -6.759
  411    HA   LYS  50           HA       LYS  50 -13.399  -2.173  -5.966
  412    HB2  LYS  50           HB1      LYS  50 -11.447   0.077  -5.213
  413    HB3  LYS  50           HB2      LYS  50 -11.461  -1.392  -4.291
  414    HG2  LYS  50           HG1      LYS  50 -10.946  -1.272  -7.335
  415    HG3  LYS  50           HG2      LYS  50  -9.698  -1.273  -6.099
  416    HD2  LYS  50           HD2      LYS  50 -10.386  -3.533  -5.297
  417    HD3  LYS  50           HD1      LYS  50 -11.731  -3.574  -6.442
  418    HE2  LYS  50           HE1      LYS  50 -10.143  -3.460  -8.384
  419    HE3  LYS  50           HE2      LYS  50  -8.764  -3.372  -7.274
  420    HZ1  LYS  50           HZ1      LYS  50 -10.681  -5.628  -7.490
  421    HZ2  LYS  50           HZ2      LYS  50  -9.154  -5.608  -8.075
  422    H    GLN  51           H        GLN  51 -13.319   0.881  -4.057
  423    HA   GLN  51           HA       GLN  51 -15.157  -0.377  -2.045
  424    HB2  GLN  51           HB2      GLN  51 -14.892   1.565  -0.682
  425    HB3  GLN  51           HB1      GLN  51 -13.342   0.994  -1.249
  426    HG2  GLN  51           HG2      GLN  51 -13.219   2.900  -2.906
  427    HG3  GLN  51           HG1      GLN  51 -14.811   3.451  -2.434
  428   HE21  GLN  51          HE22      GLN  51 -14.782   5.073  -0.961
  429   HE22  GLN  51          HE21      GLN  51 -13.423   5.400   0.228
  430    H    VAL  52           H        VAL  52 -16.573  -0.473  -4.307
  431    HA   VAL  52           HA       VAL  52 -18.613   1.685  -4.398
  432    HB   VAL  52           HB       VAL  52 -19.575   0.111  -6.267
  433   HG11  VAL  52          HG21      VAL  52 -17.864   0.700  -7.934
  434   HG12  VAL  52          HG22      VAL  52 -18.069   2.045  -6.796
  435   HG13  VAL  52          HG23      VAL  52 -16.648   0.978  -6.664
  436   HG21  VAL  52          HG11      VAL  52 -18.312  -1.698  -7.231
  437   HG22  VAL  52          HG12      VAL  52 -18.708  -2.102  -5.553
  438   HG23  VAL  52          HG13      VAL  52 -17.055  -1.594  -5.978
  439    H    GLU  53           H        GLU  53 -18.786   0.724  -1.841
  440    HA   GLU  53           HA       GLU  53 -20.985  -1.256  -1.619
  441    HB2  GLU  53           HB1      GLU  53 -19.458   0.744   0.419
  442    HB3  GLU  53           HB2      GLU  53 -20.815  -0.047   1.040
  443    HG2  GLU  53           HG1      GLU  53 -18.380  -1.520  -0.180
  444    HG3  GLU  53           HG2      GLU  53 -18.650  -1.194   1.521
  445    HE2  GLU  53           HE2      GLU  53 -19.405  -3.076  -1.091
  446    H    LYS  54           H        LYS  54 -21.029   2.164  -0.572
  447    HA   LYS  54           HA       LYS  54 -23.988   2.236  -0.821
  448    HB2  LYS  54           HB1      LYS  54 -23.836   4.667   0.006
  449    HB3  LYS  54           HB2      LYS  54 -22.734   3.749   0.945
  450    HG2  LYS  54           HG1      LYS  54 -21.008   5.031   0.415
  451    HG3  LYS  54           HG2      LYS  54 -21.173   4.798  -1.302
  452    HD2  LYS  54           HD1      LYS  54 -22.705   6.882   0.377
  453    HD3  LYS  54           HD2      LYS  54 -21.246   7.185  -0.559
  454    HE2  LYS  54           HE2      LYS  54 -22.475   6.583  -2.704
  455    HE3  LYS  54           HE1      LYS  54 -23.954   6.305  -1.776
  456    HZ1  LYS  54           HZ1      LYS  54 -23.879   8.508  -2.725
  457    HZ2  LYS  54           HZ2      LYS  54 -22.478   8.872  -1.964
  458    H    ALA  55           H        ALA  55 -21.505   3.546  -2.991
  459    HA   ALA  55           HA       ALA  55 -23.464   4.735  -4.803
  460    HB1  ALA  55           HB1      ALA  55 -20.476   4.154  -5.281
  461    HB2  ALA  55           HB2      ALA  55 -21.171   5.654  -4.617
  462    HB3  ALA  55           HB3      ALA  55 -21.516   5.186  -6.291
  463    HN1  NH2  56           HN1      NH2  56 -24.226   2.037  -7.066
  464    HN2  NH2  56           HN2      NH2  56 -24.658   3.655  -6.316