*HEADER    VIRUS/VIRAL PROTEIN                     10-APR-00   1ESK              
*TITLE     SOLUTION STRUCTURE OF NCP7 FROM HIV-1                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GAG POLYPROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 12-53;                                            
*COMPND   5 SYNONYM: NUCLEOCAPSID PROTEIN NCP7;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE IS NATURALLY FOUND IN HUMAN IMMUNODEFICIENCY                
*SOURCE   5 VIRUS TYPE 1 (HIV-1).                                                
*KEYWDS    (12-53)NCP7, HIV-1, PROTEIN, STRUCTURE, NMR                           
*EXPDTA    NMR, 9 STRUCTURES                                                     
*AUTHOR    N.MORELLET, H.DEMENE, V.TEILLEUX, T.HUYNH-DINH, H.DE                  
*AUTHOR   2 ROCQUIGNY, M.-C.FOURNIE-ZALUSKI, B.P.ROQUES                          
*REVDAT   1   21-APR-00 1ESK    0                                                
!BIOSYM restraint 1
!
!
#remote_prochiral_center
1:VAL_13:HG1*   1:VAL_13:HG2*   1:VAL_13:CG1    1:VAL_13:CG2    1:VAL_13:CB
!
!
#chiral
1:ASNN_12:CA       S
1:VAL_13:CA        S
1:LYS_14:CA        S
1:CYS_15:CA        R
1:PHE_16:CA        S
1:ASN_17:CA        S
1:CYS_18:CA        R
1:GLY_19:CA        S
1:LYS_20:CA        S
1:GLU_21:CA        S
1:GLY_22:CA        S
1:HISD_23:CA       S
1:THR_24:CA        S
1:ALA_25:CA        S
1:ARG_26:CA        S
1:ASN_27:CA        S
1:CYS_28:CA        R
1:ARG_29:CA        S
1:ALA_30:CA        S
1:PRO_31:CA        S
1:ARG_32:CA        S
1:LYS_33:CA        S
1:LYS_34:CA        S
1:GLY_35:CA        S
1:CYS_36:CA        R
1:TRP_37:CA        S
1:LYS_38:CA        S
1:CYS_39:CA        R
1:GLY_40:CA        S
1:LYS_41:CA        S
1:GLU_42:CA        S
1:GLY_43:CA        S
1:HISD_44:CA       S
1:GLN_45:CA        S
1:MET_46:CA        S
1:LYS_47:CA        S
1:ASP_48:CA        S
1:CYS_49:CA        R
1:THR_50:CA        S
1:GLU_51:CA        S
1:ARG_52:CA        S
1:GLNC_53:CA       S
1:THR_24:CB        R
1:THR_50:CB        R
!
!
#NOE_distance
1:ASNN_12:HA       1:ASNN_12:HB1      2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASNN_12:HA       1:ASNN_12:HB2      2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASNN_12:HA       1:ASNN_12:HD21     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASNN_12:HA       1:ASNN_12:HD22     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASNN_12:HA       1:VAL_13:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HN        1:VAL_13:HA     2.00 3.00 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HA        1:LYS_14:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HB        1:LYS_14:HN     2.00 4.00 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HB        1:THR_24:HG2*   2.00 6.00 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG1*      1:LYS_14:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG2*      1:LYS_14:HN     2.00 5.00 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG1*      1:GLY_22:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG2*     1:GLY_22:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG1*      1:GLY_22:HA1    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG1*      1:GLY_22:HA2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG2*      1:GLY_22:HA1    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG2*      1:GLY_22:HA2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:VAL_13:HG1*       1:HISD_23:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00 
1:VAL_13:HG1*       1:THR_24:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00 
1:VAL_13:HG1*      1:THR_24:HA     2.00 4.50 3.000 32.00 32.00 1000.000  0.00
1:VAL_13:HG1*      1:THR_24:HG2*   2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:VAL_13:HG2*      1:THR_24:HG2*   2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:LYS_14:HN        1:LYS_14:HG1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HN        1:LYS_14:HG2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HA        1:CYS_15:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HA        1:GLU_21:HA    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HA        1:GLU_21:HB1   2.00 5.00 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HA        1:GLU_21:HB2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HA        1:GLU_21:HG1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HA        1:GLU_21:HG2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HA        1:HISD_23:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB1       1:CYS_15:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB1       1:GLY_19:HA1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB1       1:GLU_21:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB1       1:GLU_21:HB1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB1       1:GLU_21:HB2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB2       1:CYS_15:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB2       1:GLY_19:HA1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB2       1:GLY_19:HA2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB2       1:GLU_21:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB2       1:GLU_21:HB1   2.00 5.00 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HB2       1:GLU_21:HB2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG1       1:CYS_15:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG1       1:GLY_19:HA1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG1       1:GLY_19:HA2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG1       1:GLU_21:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG2    1:CYS_15:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG2    1:GLY_19:HA1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG2    1:GLY_19:HA2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_14:HG2    1:GLU_21:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HN     1:PHE_16:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HN     1:GLU_21:HA    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HA     1:PHE_16:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HA     1:PHE_16:HD*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HA     1:ASN_17:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HA     1:THR_24:HA     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HA     1:ALA_25:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB1    1:PHE_16:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB1    1:CYS_18:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB1    1:GLY_19:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB1    1:LYS_20:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB1    1:HISD_23:HD1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB1    1:THR_24:HA     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB2    1:PHE_16:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB2    1:CYS_18:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB2    1:GLY_19:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB2    1:LYS_20:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB2    1:HISD_23:HD1    2.00 5.00 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB2    1:THR_24:HA     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_15:HB1    1:ASN_17:HN     2.00 5.38 3.000 32.00 32.00 1000.000  0.00
1:CYS_15:HB2   1:ASN_17:HN     2.00 5.38 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HN     1:ASN_17:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HN     1:CYS_18:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HN     1:ALA_25:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HN     1:ALA_25:HB*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HA     1:PHE_16:HD*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HA     1:ASN_17:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HA     1:TRP_37:HZ2    2.00 6.00 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HB1    1:ASN_17:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HB1    1:ALA_25:HB*    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HB1    1:TRP_37:HE3    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HB2    1:ASN_17:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HB2    1:ALA_25:HB*    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HB2    1:TRP_37:HE3    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HD*    1:ASN_17:HN     2.00 6.50 3.000 32.00 32.00 1000.000  0.00                   
1:PHE_16:HD*    1:ALA_25:HB*    2.00 6.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HN     1:CYS_18:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HN     1:GLY_19:HN     2.00 4.00 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HN     1:ALA_25:HB*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB1    1:CYS_18:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB1    1:ALA_25:HB*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB1    1:CYS_28:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB1    1:CYS_28:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB2    1:CYS_18:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB2    1:ALA_25:HB*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB2    1:CYS_28:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HB2    1:CYS_28:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD21   1:CYS_18:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD21   1:CYS_28:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD21   1:CYS_28:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD21   1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD21   1:ALA_30:HB*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD21   1:ARG_32:HA    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD22   1:CYS_18:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD22   1:CYS_28:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD22   1:CYS_28:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD22   1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD22   1:ALA_30:HB*    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_17:HD22   1:ARG_32:HA    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HN     1:GLY_19:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HN     1:LYS_20:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HA     1:ALA_30:HB*    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HA     1:LYS_33:HB1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HA     1:LYS_33:HB2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HB1    1:GLY_19:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HB1    1:ALA_30:HB*    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HB2    1:GLY_19:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_18:HB2    1:ALA_30:HB*    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_19:HN     1:LYS_20:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_19:HA1    1:LYS_20:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_19:HA2    1:LYS_20:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HN     1:LYS_20:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HN     1:LYS_20:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HN     1:GLU_21:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HA     1:GLU_21:HN    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HB1    1:GLU_21:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HB1    1:HISD_23:HE1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HB2    1:GLU_21:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HB2    1:HISD_23:HE1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HG1    1:GLU_21:HN    2.00 5.00 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HG1    1:HISD_23:HE1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HG2    1:GLU_21:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HG2    1:HISD_23:HE1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HD1    1:HISD_23:HE1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_20:HD2    1:HISD_23:HE1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HN    1:GLU_21:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HN    1:GLU_21:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HN    1:GLY_22:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HA    1:GLY_22:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HA    1:HISD_23:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HB1   1:GLY_22:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HB2   1:GLY_22:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HG1   1:GLY_22:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_21:HG2   1:GLY_22:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_22:HN     1:HISD_23:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_22:HA1    1:HISD_23:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_22:HA2    1:HISD_23:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HN     1:THR_24:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB1    1:HISD_23:HD2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB1    1:THR_24:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB1    1:ASN_27:HD21   2.00 6.23 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB1    1:ASN_27:HD22   2.00 6.23 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB2    1:HISD_23:HD2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB2    1:THR_24:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB2    1:ASN_27:HD21   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HB2    1:ASN_27:HD22   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HD2    1:THR_24:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HD2    1:ASN_27:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HD2    1:ASN_27:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HD2    1:CYS_28:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HD2    1:CYS_28:HA     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HD2    1:CYS_28:HB1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_23:HD2    1:CYS_28:HB2    2.00 3.80 3.000 32.00 32.00 1000.000  0.00                   
1:THR_24:HN     1:THR_24:HG2*   2.00 4.50 3.000 32.00 32.00 1000.000  0.00
1:THR_24:HN     1:ALA_25:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_24:HN     1:ASN_27:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_24:HN     1:ASN_27:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_24:HA     1:ALA_25:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_24:HB     1:ALA_25:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_24:HB     1:ARG_26:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_24:HG2*   1:ALA_25:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00
1:THR_24:HG2*   1:ARG_26:HN    2.00  4.50 3.000 32.00 32.00 1000.000  0.00
1:THR_24:HG2*   1:ASN_27:HD21   2.00 5.50 3.000 32.00 32.00 1000.000  0.00 
1:THR_24:HG2*   1:ASN_27:HD22   2.00 5.50 3.000 32.00 32.00 1000.000  0.00 
1:ALA_25:HN     1:ALA_25:HB*    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HN     1:ARG_26:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HN     1:ASN_27:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HA     1:ASN_27:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HA     1:CYS_28:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HA     1:CYS_28:HB1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HA     1:CYS_28:HB2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HB*    1:ARG_26:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HB*    1:ARG_26:HA    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HB*    1:CYS_28:HB1    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HB*    1:CYS_28:HB2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HB*    1:TRP_37:HZ2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_25:HB*    1:TRP_37:HH2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HN    1:ARG_26:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HN    1:ARG_26:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HN    1:ASN_27:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HN    1:CYS_28:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HA    1:CYS_28:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HB1   1:ASN_27:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HB2   1:ASN_27:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HG1   1:ASN_27:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HG2   1:ASN_27:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_26:HG1   1:ARG_26:HH2*  2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:ASN_27:HN     1:CYS_28:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_27:HA     1:CYS_28:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_27:HB1    1:CYS_28:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASN_27:HB2    1:CYS_28:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_28:HN     1:ARG_29:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_28:HA     1:ARG_29:HN    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_28:HA     1:ALA_30:HN     2.00 3.80 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_28:HB1    1:ARG_29:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_28:HB1    1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_28:HB2    1:ARG_29:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_28:HB2    1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HN    1:ARG_29:HG1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HN    1:ARG_29:HG2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HN    1:ALA_30:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HA    1:ARG_29:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HA    1:ARG_29:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HA    1:ALA_30:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HB1   1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HB2   1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HG1   1:ARG_29:HH2*  2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HG1   1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HG2   1:ARG_29:HH2*  2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_29:HG2   1:ALA_30:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_30:HN     1:ALA_30:HB*    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_30:HN     1:PRO_31:HD1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00
1:ALA_30:HN     1:PRO_31:HD2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ALA_30:HA     1:PRO_31:HD1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00
1:ALA_30:HA     1:PRO_31:HD2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:PRO_31:HA     1:ARG_32:HN    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:PRO_31:HB1    1:ARG_32:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:PRO_31:HB2    1:ARG_32:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HN    1:ARG_32:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HN    1:ARG_32:HG2   2.00 4.00 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HN    1:LYS_33:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HA    1:LYS_33:HN    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HB1   1:LYS_33:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HB1   1:TRP_37:HD1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HB2   1:LYS_33:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HB2   1:TRP_37:HD1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HG1   1:ARG_32:HH2*  2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:ARG_32:HG1   1:LYS_33:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HG1   1:TRP_37:HZ2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HG2   1:ARG_32:HH2*  2.00 5.50 3.000 32.00 32.00 1000.000  0.00 
1:ARG_32:HG2   1:LYS_33:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_32:HG2   1:TRP_37:HZ2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_33:HN     1:LYS_33:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_33:HN     1:LYS_33:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_33:HN     1:LYS_34:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_33:HA     1:LYS_34:HN    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_33:HB1    1:TRP_37:HD1    2.00 5.38 3.000 32.00 32.00 1000.000  0.00
1:LYS_33:HB2    1:TRP_37:HD1    2.00 5.38 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HN     1:LYS_34:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HN     1:LYS_34:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HN     1:GLY_35:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HA     1:GLY_35:HN     2.00 3.00 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HB1    1:GLY_35:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HB2    1:GLY_35:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HG1    1:GLY_35:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_34:HG2    1:GLY_35:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_35:HA1    1:CYS_36:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_35:HA1    1:GLU_42:HA    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_35:HA1    1:GLU_42:HG1   2.00 5.50 3.000 32.00 32.00 1000.000  0.00 
1:GLY_35:HA1    1:GLU_42:HG2   2.00 5.50 3.000 32.00 32.00 1000.000  0.00                  
1:GLY_35:HA2    1:CYS_36:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_35:HA2    1:GLU_42:HA    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_35:HA2    1:GLU_42:HG1   2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:GLY_35:HA2    1:GLU_42:HG2   2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HN     1:TRP_37:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HN     1:GLU_42:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HA     1:TRP_37:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HA     1:LYS_38:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HA     1:GLN_45:HA     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HA     1:MET_46:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB1    1:TRP_37:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB1    1:LYS_38:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB1    1:CYS_39:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB1    1:GLY_40:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB1    1:LYS_41:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB1    1:HISD_44:HD2    2.00 4.00 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB2    1:TRP_37:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB2    1:LYS_38:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB2    1:CYS_39:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB2    1:GLY_40:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB2    1:LYS_41:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_36:HB2    1:HISD_44:HD2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HN     1:LYS_38:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HN     1:MET_46:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HN     1:MET_46:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HA     1:TRP_37:HD1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HA     1:TRP_37:HE3    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HB1    1:LYS_38:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HB1    1:MET_46:HB1    2.00 5.50 3.000 32.00 32.00 1000.000  0.00 
1:TRP_37:HB1    1:MET_46:HB2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                  
1:TRP_37:HB1    1:MET_46:HG1    2.00 5.50 3.000 32.00 32.00 1000.000  0.00  
1:TRP_37:HB1    1:MET_46:HG2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HB2    1:LYS_38:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HB2    1:MET_46:HB1    2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:TRP_37:HB2    1:MET_46:HB2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:TRP_37:HB2    1:MET_46:HG1    2.00 5.50 3.000 32.00 32.00 1000.000  0.00 
1:TRP_37:HB2    1:MET_46:HG2    2.00 5.50 3.000 32.00 32.00 1000.000  0.00                  
1:TRP_37:HD1    1:MET_46:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HD1    1:MET_46:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HE3    1:LYS_38:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HE3    1:LYS_38:HG1   2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:TRP_37:HE3    1:LYS_38:HG2   2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:TRP_37:HE3    1:MET_46:HE*    2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:LYS_38:HN     1:LYS_38:HG1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HN     1:LYS_38:HG2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HN     1:CYS_39:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HN     1:GLY_40:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HN     1:MET_46:HB1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HN     1:MET_46:HB2    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HB1    1:CYS_39:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HB2    1:CYS_39:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HB1    1:MET_46:HB1    2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:LYS_38:HB2    1:MET_46:HB2    2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:LYS_38:HG1    1:CYS_39:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HG2    1:CYS_39:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HG1    1:CYS_39:HA     2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:LYS_38:HG2    1:CYS_39:HA     2.00 5.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_38:HG1    1:CYS_39:HB1    2.00 6.50 3.000 32.00 32.00 1000.000  0.00 
1:LYS_38:HG2    1:CYS_39:HB1    2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:LYS_38:HG1    1:CYS_39:HB2    2.00 6.50 3.000 32.00 32.00 1000.000  0.00 
1:LYS_38:HG2    1:CYS_39:HB2   2.00 6.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_39:HN     1:GLY_40:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_39:HB1    1:GLY_40:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_39:HB1    1:GLU_51:HB1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_39:HB1    1:GLU_51:HB2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_39:HB2    1:GLY_40:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_39:HB2    1:GLU_51:HB1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_39:HB2    1:GLU_51:HB2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_40:HN     1:LYS_41:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_40:HA1    1:LYS_41:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_40:HA2    1:LYS_41:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HN     1:LYS_41:HG1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HN     1:LYS_41:HG2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HA     1:GLU_42:HN    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HB1    1:GLU_42:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HB1    1:HISD_44:HE1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HB2    1:GLU_42:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HB2    1:HISD_44:HE1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HG1    1:GLU_42:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HG1    1:HISD_44:HE1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HG2    1:GLU_42:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HG2    1:HISD_44:HE1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HD2    1:HISD_44:HE1    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_41:HD1    1:HISD_44:HE1    2.00 5.38 3.000 32.00 32.00 1000.000  0.00
1:GLU_42:HN    1:GLU_42:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HN    1:GLU_42:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HN    1:GLY_43:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HA    1:GLY_43:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HA    1:HISD_44:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HB1   1:GLY_43:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HB2   1:GLY_43:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HG1   1:GLY_43:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_42:HG2   1:GLY_43:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_43:HN     1:HISD_44:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_43:HA1    1:HISD_44:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLY_43:HA2    1:HISD_44:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HN     1:GLN_45:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HB1    1:GLN_45:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HB2    1:GLN_45:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HD2    1:GLN_45:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HD2    1:ASP_48:HB1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HD2    1:ASP_48:HB2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HD2    1:CYS_49:HA     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HD2    1:CYS_49:HB1    2.00 3.80 3.000 32.00 32.00 1000.000  0.00                   
1:HISD_44:HD2    1:CYS_49:HB2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HN     1:GLN_45:HG1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HN     1:GLN_45:HG2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HN     1:ASP_48:HB1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HN     1:ASP_48:HB2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HA     1:MET_46:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HB1    1:MET_46:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HB1    1:LYS_47:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HB2    1:MET_46:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HB2    1:LYS_47:HN    2.00 5.00 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HB1    1:LYS_47:HG1   2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:GLN_45:HB2    1:LYS_47:HG1   2.00 6.50 3.000 32.00 32.00 1000.000  0.00 
1:GLN_45:HB1    1:LYS_47:HG2   2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:GLN_45:HB2    1:LYS_47:HG2   2.00 6.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HG1    1:MET_46:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HG1    1:LYS_47:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HG1    1:ASP_48:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HG2    1:MET_46:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HG2    1:LYS_47:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLN_45:HG2    1:ASP_48:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HN     1:MET_46:HG1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HN     1:MET_46:HG2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HN     1:LYS_47:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HN     1:ASP_48:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HA     1:CYS_49:HB1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HA     1:CYS_49:HB2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HB1    1:LYS_47:HN    2.00 4.00 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HB2    1:LYS_47:HN    2.00 4.00 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HG1    1:LYS_47:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HG1    1:LYS_47:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HG2    1:LYS_47:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:MET_46:HG2    1:LYS_47:HA    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HN    1:LYS_47:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HN    1:LYS_47:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HN    1:ASP_48:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HN    1:CYS_49:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HA    1:ASP_48:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HA    1:CYS_49:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HB1   1:ASP_48:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HB2   1:ASP_48:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HG1   1:ASP_48:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:LYS_47:HG2   1:ASP_48:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASP_48:HN    1:CYS_49:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASP_48:HB1   1:CYS_49:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ASP_48:HB2   1:CYS_49:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_49:HN     1:THR_50:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_49:HA     1:THR_50:HN     2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_49:HA     1:THR_50:HG2*   2.00 6.50 3.000 32.00 32.00 1000.000  0.00
1:CYS_49:HA     1:GLU_51:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_49:HB1    1:THR_50:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:CYS_49:HB2    1:THR_50:HN     2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_50:HN     1:THR_50:HG2*   2.00 4.50 3.000 32.00 32.00 1000.000  0.00 
1:THR_50:HN     1:GLU_51:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_50:HA     1:THR_50:HG2*   2.00 3.50 3.000 32.00 32.00 1000.000  0.00 
1:THR_50:HA     1:GLU_51:HN    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_50:HB     1:GLU_51:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:THR_50:HG2*   1:GLU_51:HN    2.00 5.50 3.000 32.00 32.00 1000.000  0.00
1:GLU_51:HN    1:GLU_51:HB1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HN    1:GLU_51:HB2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HN    1:GLU_51:HG1   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HN    1:GLU_51:HG2   2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HN    1:ARG_52:HN    2.00 2.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HB1   1:ARG_52:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HB2   1:ARG_52:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HG1   1:ARG_52:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLU_51:HG2   1:ARG_52:HN    2.00 4.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_52:HN    1:ARG_52:HA    2.00 3.00 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_52:HN    1:ARG_52:HB1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_52:HN    1:ARG_52:HB2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_52:HN    1:ARG_52:HG1   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_52:HN    1:ARG_52:HG2   2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:ARG_52:HA    1:GLNC_53:HN     2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLNC_53:HN     1:GLNC_53:HB1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLNC_53:HN     1:GLNC_53:HB2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLNC_53:HN     1:GLNC_53:HG1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLNC_53:HN     1:GLNC_53:HG2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLNC_53:HA     1:GLNC_53:HG1    2.00 3.50 3.000 32.00 32.00 1000.000  0.00                   
1:GLNC_53:HA     1:GLNC_53:HG2    2.00 3.50 3.000 32.00 32.00 1000.000  0.00      
#mixing_times
-9.990000E+02
!
#NMR_dihedral
1:ASNN_12:CA       1:ASNN_12:C        1:VAL_13:N         1:VAL_13:CA        170.000 -170.000 200.00 200.00 1000.000
1:ASNN_12:O        1:ASNN_12:C        1:VAL_13:N         1:VAL_13:HN        170.000 -170.000 200.00 200.00 1000.000
1:VAL_13:CA        1:VAL_13:C         1:LYS_14:N         1:LYS_14:CA        170.000 -170.000 200.00 200.00 1000.000
1:VAL_13:O         1:VAL_13:C         1:LYS_14:N         1:LYS_14:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_14:CA        1:LYS_14:C         1:CYS_15:N         1:CYS_15:CA        170.000 -170.000 200.00 200.00 1000.000
1:LYS_14:O         1:LYS_14:C         1:CYS_15:N         1:CYS_15:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_14:N         1:LYS_14:CA        1:LYS_14:CB        1:LYS_14:CG          0.000  120.000 200.00 200.00 1000.000
1:CYS_15:N         1:CYS_15:CA        1:CYS_15:CB        1:CYS_15:SG        120.000 -120.000 200.00 200.00 1000.000
1:CYS_15:CA        1:CYS_15:C         1:PHE_16:N         1:PHE_16:CA        170.000 -170.000 200.00 200.00 1000.000
1:CYS_15:O         1:CYS_15:C         1:PHE_16:N         1:PHE_16:HN        170.000 -170.000 200.00 200.00 1000.000
1:PHE_16:CA        1:PHE_16:C         1:ASN_17:N         1:ASN_17:CA        170.000 -170.000 200.00 200.00 1000.000
1:PHE_16:O         1:PHE_16:C         1:ASN_17:N         1:ASN_17:HN        170.000 -170.000 200.00 200.00 1000.000
1:ASN_17:CA        1:ASN_17:C         1:CYS_18:N         1:CYS_18:CA        170.000 -170.000 200.00 200.00 1000.000
1:ASN_17:O         1:ASN_17:C         1:CYS_18:N         1:CYS_18:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_18:CA        1:CYS_18:C         1:GLY_19:N         1:GLY_19:CA        170.000 -170.000 200.00 200.00 1000.000
1:CYS_18:O         1:CYS_18:C         1:GLY_19:N         1:GLY_19:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_18:N         1:CYS_18:CA        1:CYS_18:CB        1:CYS_18:SG          0.000  120.000 200.00 200.00 1000.000
1:GLY_19:CA        1:GLY_19:C         1:LYS_20:N         1:LYS_20:CA        170.000 -170.000 200.00 200.00 1000.000
1:GLY_19:O         1:GLY_19:C         1:LYS_20:N         1:LYS_20:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_20:CA        1:LYS_20:C         1:GLU_21:N         1:GLU_21:CA        170.000 -170.000 200.00 200.00 1000.000
1:LYS_20:O         1:LYS_20:C         1:GLU_21:N         1:GLU_21:HN        170.000 -170.000 200.00 200.00 1000.000
1:GLU_21:CA        1:GLU_21:C         1:GLY_22:N         1:GLY_22:CA        170.000 -170.000 200.00 200.00 1000.000
1:GLU_21:O         1:GLU_21:C         1:GLY_22:N         1:GLY_22:HN        170.000 -170.000 200.00 200.00 1000.000
1:GLU_21:N         1:GLU_21:CA        1:GLU_21:CB        1:GLU_21:CG       -120.000    0.000 200.00 200.00 1000.000
1:GLY_22:CA        1:GLY_22:C         1:HISD_23:N        1:HISD_23:CA       170.000 -170.000 200.00 200.00 1000.000
1:GLY_22:O         1:GLY_22:C         1:HISD_23:N        1:HISD_23:HN       170.000 -170.000 200.00 200.00 1000.000
1:HISD_23:CA       1:HISD_23:C        1:THR_24:N         1:THR_24:CA        170.000 -170.000 200.00 200.00 1000.000
1:HISD_23:O        1:HISD_23:C        1:THR_24:N         1:THR_24:HN        170.000 -170.000 200.00 200.00 1000.000
1:HISD_23:C        1:HISD_23:CA       1:HISD_23:CB       1:HISD_23:CG       -65.000  -55.000  90.00  90.00 1000.000
1:HISD_23:CA       1:HISD_23:CB       1:HISD_23:CG       1:HISD_23:CD2       80.000   90.000  90.00  90.00 1000.000
1:THR_24:CA        1:THR_24:C         1:ALA_25:N         1:ALA_25:CA        170.000 -170.000 200.00 200.00 1000.000
1:THR_24:O         1:THR_24:C         1:ALA_25:N         1:ALA_25:HN        170.000 -170.000 200.00 200.00 1000.000
1:ALA_25:CA        1:ALA_25:C         1:ARG_26:N         1:ARG_26:CA        170.000 -170.000 200.00 200.00 1000.000
1:ALA_25:O         1:ALA_25:C         1:ARG_26:N         1:ARG_26:HN        170.000 -170.000 200.00 200.00 1000.000
1:ARG_26:CA        1:ARG_26:C         1:ASN_27:N         1:ASN_27:CA        170.000 -170.000 200.00 200.00 1000.000
1:ARG_26:O         1:ARG_26:C         1:ASN_27:N         1:ASN_27:HN        170.000 -170.000 200.00 200.00 1000.000
1:ASN_27:CA        1:ASN_27:C         1:CYS_28:N         1:CYS_28:CA        170.000 -170.000 200.00 200.00 1000.000
1:ASN_27:O         1:ASN_27:C         1:CYS_28:N         1:CYS_28:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_28:CA        1:CYS_28:C         1:ARG_29:N         1:ARG_29:CA        170.000 -170.000 200.00 200.00 1000.000
1:CYS_28:O         1:CYS_28:C         1:ARG_29:N         1:ARG_29:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_28:N         1:CYS_28:CA        1:CYS_28:CB        1:CYS_28:SG        120.000 -120.000 200.00 200.00 1000.000
1:ARG_29:CA        1:ARG_29:C         1:ALA_30:N         1:ALA_30:CA        170.000 -170.000 200.00 200.00 1000.000
1:ARG_29:O         1:ARG_29:C         1:ALA_30:N         1:ALA_30:HN        170.000 -170.000 200.00 200.00 1000.000
1:ALA_30:CA        1:ALA_30:C         1:PRO_31:N         1:PRO_31:CA        170.000 -170.000 200.00 200.00 1000.000
1:PRO_31:CA        1:PRO_31:C         1:ARG_32:N         1:ARG_32:CA        170.000 -170.000 200.00 200.00 1000.000
1:PRO_31:O         1:PRO_31:C         1:ARG_32:N         1:ARG_32:HN        170.000 -170.000 200.00 200.00 1000.000
1:PRO_31:C         1:ARG_32:N         1:ARG_32:CA        1:ARG_32:C        -150.000  -90.000 200.00 200.00 1000.000
1:ARG_32:CA        1:ARG_32:C         1:LYS_33:N         1:LYS_33:CA        170.000 -170.000 200.00 200.00 1000.000
1:ARG_32:O         1:ARG_32:C         1:LYS_33:N         1:LYS_33:HN        170.000 -170.000 200.00 200.00 1000.000
1:ARG_32:C         1:LYS_33:N         1:LYS_33:CA        1:LYS_33:C        -150.000  -90.000 200.00 200.00 1000.000
1:LYS_33:CA        1:LYS_33:C         1:LYS_34:N         1:LYS_34:CA        170.000 -170.000 200.00 200.00 1000.000
1:LYS_33:O         1:LYS_33:C         1:LYS_34:N         1:LYS_34:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_33:C         1:LYS_34:N         1:LYS_34:CA        1:LYS_34:C        -150.000  -90.000 200.00 200.00 1000.000
1:LYS_34:CA        1:LYS_34:C         1:GLY_35:N         1:GLY_35:CA        170.000 -170.000 200.00 200.00 1000.000
1:LYS_34:O         1:LYS_34:C         1:GLY_35:N         1:GLY_35:HN        170.000 -170.000 200.00 200.00 1000.000
1:GLY_35:CA        1:GLY_35:C         1:CYS_36:N         1:CYS_36:CA        170.000 -170.000 200.00 200.00 1000.000
1:GLY_35:O         1:GLY_35:C         1:CYS_36:N         1:CYS_36:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_36:CA        1:CYS_36:C         1:TRP_37:N         1:TRP_37:CA        170.000 -170.000 200.00 200.00 1000.000
1:CYS_36:O         1:CYS_36:C         1:TRP_37:N         1:TRP_37:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_36:N         1:CYS_36:CA        1:CYS_36:CB        1:CYS_36:SG        120.000 -120.000 200.00 200.00 1000.000
1:TRP_37:CA        1:TRP_37:C         1:LYS_38:N         1:LYS_38:CA        170.000 -170.000 200.00 200.00 1000.000
1:TRP_37:O         1:TRP_37:C         1:LYS_38:N         1:LYS_38:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_38:CA        1:LYS_38:C         1:CYS_39:N         1:CYS_39:CA        170.000 -170.000 200.00 200.00 1000.000
1:LYS_38:O         1:LYS_38:C         1:CYS_39:N         1:CYS_39:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_39:CA        1:CYS_39:C         1:GLY_40:N         1:GLY_40:CA        170.000 -170.000 200.00 200.00 1000.000
1:CYS_39:O         1:CYS_39:C         1:GLY_40:N         1:GLY_40:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_39:N         1:CYS_39:CA        1:CYS_39:CB        1:CYS_39:SG          0.000  120.000 200.00 200.00 1000.000
1:GLY_40:CA        1:GLY_40:C         1:LYS_41:N         1:LYS_41:CA        170.000 -170.000 200.00 200.00 1000.000
1:GLY_40:O         1:GLY_40:C         1:LYS_41:N         1:LYS_41:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_41:CA        1:LYS_41:C         1:GLU_42:N         1:GLU_42:CA        170.000 -170.000 200.00 200.00 1000.000
1:LYS_41:O         1:LYS_41:C         1:GLU_42:N         1:GLU_42:HN        170.000 -170.000 200.00 200.00 1000.000
1:GLU_42:CA        1:GLU_42:C         1:GLY_43:N         1:GLY_43:CA        170.000 -170.000 200.00 200.00 1000.000
1:GLU_42:O         1:GLU_42:C         1:GLY_43:N         1:GLY_43:HN        170.000 -170.000 200.00 200.00 1000.000
1:GLU_42:N         1:GLU_42:CA        1:GLU_42:CB        1:GLU_42:CG          0.000  120.000 200.00 200.00 1000.000
1:GLY_43:CA        1:GLY_43:C         1:HISD_44:N        1:HISD_44:CA       170.000 -170.000 200.00 200.00 1000.000
1:GLY_43:O         1:GLY_43:C         1:HISD_44:N        1:HISD_44:HN       170.000 -170.000 200.00 200.00 1000.000
1:HISD_44:CA       1:HISD_44:C        1:GLN_45:N         1:GLN_45:CA        170.000 -170.000 200.00 200.00 1000.000
1:HISD_44:O        1:HISD_44:C        1:GLN_45:N         1:GLN_45:HN        170.000 -170.000 200.00 200.00 1000.000
1:HISD_44:C        1:HISD_44:CA       1:HISD_44:CB       1:HISD_44:CG       -65.000  -55.000  90.00  90.00 1000.000
1:HISD_44:CA       1:HISD_44:CB       1:HISD_44:CG       1:HISD_44:CD2       80.000   90.000  90.00  90.00 1000.000
1:GLN_45:CA        1:GLN_45:C         1:MET_46:N         1:MET_46:CA        170.000 -170.000 200.00 200.00 1000.000
1:GLN_45:O         1:GLN_45:C         1:MET_46:N         1:MET_46:HN        170.000 -170.000 200.00 200.00 1000.000
1:MET_46:CA        1:MET_46:C         1:LYS_47:N         1:LYS_47:CA        170.000 -170.000 200.00 200.00 1000.000
1:MET_46:O         1:MET_46:C         1:LYS_47:N         1:LYS_47:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_47:CA        1:LYS_47:C         1:ASP_48:N         1:ASP_48:CA        170.000 -170.000 200.00 200.00 1000.000
1:LYS_47:O         1:LYS_47:C         1:ASP_48:N         1:ASP_48:HN        170.000 -170.000 200.00 200.00 1000.000
1:LYS_47:N         1:LYS_47:CA        1:LYS_47:CB        1:LYS_47:CG       -120.000    0.000 200.00 200.00 1000.000
1:ASP_48:CA        1:ASP_48:C         1:CYS_49:N         1:CYS_49:CA        170.000 -170.000 200.00 200.00 1000.000
1:ASP_48:O         1:ASP_48:C         1:CYS_49:N         1:CYS_49:HN        170.000 -170.000 200.00 200.00 1000.000
1:ASP_48:N         1:ASP_48:CA        1:ASP_48:CB        1:ASP_48:CG       -120.000    0.000 200.00 200.00 1000.000
1:CYS_49:CA        1:CYS_49:C         1:THR_50:N         1:THR_50:CA        170.000 -170.000 200.00 200.00 1000.000
1:CYS_49:O         1:CYS_49:C         1:THR_50:N         1:THR_50:HN        170.000 -170.000 200.00 200.00 1000.000
1:CYS_49:N         1:CYS_49:CA        1:CYS_49:CB        1:CYS_49:SG        120.000 -120.000 200.00 200.00 1000.000
1:THR_50:CA        1:THR_50:C         1:GLU_51:N         1:GLU_51:CA        170.000 -170.000 200.00 200.00 1000.000
1:THR_50:O         1:THR_50:C         1:GLU_51:N         1:GLU_51:HN        170.000 -170.000 200.00 200.00 1000.000
1:GLU_51:CA        1:GLU_51:C         1:ARG_52:N         1:ARG_52:CA        170.000 -170.000 200.00 200.00 1000.000
1:GLU_51:O         1:GLU_51:C         1:ARG_52:N         1:ARG_52:HN        170.000 -170.000 200.00 200.00 1000.000
1:ARG_52:CA        1:ARG_52:C         1:GLNC_53:N        1:GLNC_53:CA       170.000 -170.000 200.00 200.00 1000.000
1:ARG_52:O         1:ARG_52:C         1:GLNC_53:N        1:GLNC_53:HN       170.000 -170.000 200.00 200.00 1000.000
             

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASN  12          1H        ASN  12  97.065 140.049 105.278
    2   2H    ASN  12          2H        ASN  12  96.903 141.649 104.907
    3   3H    ASN  12          3H        ASN  12  95.942 140.963 106.069
    4    HA   ASN  12           HA       ASN  12  97.623 142.159 107.230
    5   1HB   ASN  12          1HB       ASN  12  98.473 139.451 107.284
    6   2HB   ASN  12          2HB       ASN  12  98.574 140.606 108.598
    7   1HD2  ASN  12          2HD2      ASN  12  96.422 138.405 106.818
    8   2HD2  ASN  12          1HD2      ASN  12  95.088 138.497 107.955
    9    H    VAL  13           H        VAL  13 100.079 141.859 107.820
   10    HA   VAL  13           HA       VAL  13 101.827 142.632 105.726
   11    HB   VAL  13           HB       VAL  13 102.833 142.928 107.801
   12   1HG1  VAL  13          1HG2      VAL  13 101.353 141.752 109.277
   13   2HG1  VAL  13          2HG2      VAL  13 101.850 140.175 108.609
   14   3HG1  VAL  13          3HG2      VAL  13 102.983 141.144 109.573
   15   1HG2  VAL  13          1HG1      VAL  13 104.758 141.454 108.070
   16   2HG2  VAL  13          2HG1      VAL  13 104.472 141.622 106.334
   17   3HG2  VAL  13          3HG1      VAL  13 103.980 140.149 107.195
   18    H    LYS  14           H        LYS  14 102.959 141.483 104.209
   19    HA   LYS  14           HA       LYS  14 103.311 138.653 104.527
   20   1HB   LYS  14          2HB       LYS  14 102.352 137.761 102.630
   21   2HB   LYS  14          1HB       LYS  14 101.114 138.804 103.185
   22   1HG   LYS  14          2HG       LYS  14 102.996 139.227 100.915
   23   2HG   LYS  14          1HG       LYS  14 101.252 138.999 100.837
   24   1HD   LYS  14          1HD       LYS  14 100.889 141.195 101.944
   25   2HD   LYS  14          2HD       LYS  14 102.644 141.478 101.952
   26   1HE   LYS  14          1HE       LYS  14 102.701 141.259  99.479
   27   2HE   LYS  14          2HE       LYS  14 100.937 141.061  99.466
   28   1HZ   LYS  14          1HZ       LYS  14 102.399 143.416 100.439
   29   2HZ   LYS  14          2HZ       LYS  14 100.759 143.241 100.435
   30   3HZ   LYS  14          3HZ       LYS  14 101.586 143.301  99.011
   31    H    CYS  15           H        CYS  15 104.458 137.811 102.625
   32    HA   CYS  15           HA       CYS  15 106.957 139.317 102.613
   33   1HB   CYS  15          1HB       CYS  15 106.813 137.136 103.575
   34   2HB   CYS  15          2HB       CYS  15 106.056 136.463 102.176
   35    H    PHE  16           H        PHE  16 108.215 139.660 100.841
   36    HA   PHE  16           HA       PHE  16 106.764 140.157  98.301
   37   1HB   PHE  16          2HB       PHE  16 109.539 140.941  99.216
   38   2HB   PHE  16          1HB       PHE  16 108.744 141.373  97.720
   39    HD1  PHE  16           HD1      PHE  16 108.980 142.035 101.329
   40    HD2  PHE  16           HD2      PHE  16 106.765 142.919  97.736
   41    HE1  PHE  16           HE1      PHE  16 107.889 143.946 102.470
   42    HE2  PHE  16           HE2      PHE  16 105.697 144.848  98.875
   43    HZ   PHE  16           HZ       PHE  16 106.248 145.355 101.247
   44    H    ASN  17           H        ASN  17 109.439 138.406  99.614
   45    HA   ASN  17           HA       ASN  17 110.486 137.008  97.375
   46   1HB   ASN  17          1HB       ASN  17 111.718 137.137  99.431
   47   2HB   ASN  17          2HB       ASN  17 110.394 136.583 100.369
   48   1HD2  ASN  17          1HD2      ASN  17 112.952 135.564 100.654
   49   2HD2  ASN  17          2HD2      ASN  17 112.840 133.877 100.266
   50    H    CYS  18           H        CYS  18 108.618 135.272  99.878
   51    HA   CYS  18           HA       CYS  18 107.623 133.512  97.815
   52   1HB   CYS  18          1HB       CYS  18 107.169 131.988  99.477
   53   2HB   CYS  18          2HB       CYS  18 108.747 132.689  99.822
   54    H    GLY  19           H        GLY  19 106.219 135.986  99.981
   55   1HA   GLY  19          1HA       GLY  19 104.060 136.860 100.158
   56   2HA   GLY  19          2HA       GLY  19 103.690 136.023  98.643
   57    H    LYS  20           H        LYS  20 104.604 134.955 101.906
   58    HA   LYS  20           HA       LYS  20 101.807 133.978 102.383
   59   1HB   LYS  20          2HB       LYS  20 104.167 133.144 104.011
   60   2HB   LYS  20          1HB       LYS  20 102.603 132.461 104.015
   61   1HG   LYS  20          2HG       LYS  20 103.004 131.794 101.582
   62   2HG   LYS  20          1HG       LYS  20 104.648 132.297 101.798
   63   1HD   LYS  20          1HD       LYS  20 104.652 129.932 102.110
   64   2HD   LYS  20          2HD       LYS  20 104.878 130.646 103.714
   65   1HE   LYS  20          2HE       LYS  20 102.490 130.255 104.249
   66   2HE   LYS  20          1HE       LYS  20 102.194 129.691 102.593
   67   1HZ   LYS  20          1HZ       LYS  20 103.668 127.868 103.025
   68   2HZ   LYS  20          2HZ       LYS  20 103.949 128.401 104.560
   69   3HZ   LYS  20          3HZ       LYS  20 102.443 127.898 104.125
   70    H    GLU  21           H        GLU  21 100.950 134.708 104.292
   71    HA   GLU  21           HA       GLU  21 101.847 137.300 104.943
   72   1HB   GLU  21          1HB       GLU  21  99.617 135.649 106.129
   73   2HB   GLU  21          2HB       GLU  21  99.912 137.363 106.501
   74   1HG   GLU  21          1HG       GLU  21  99.572 138.021 104.277
   75   2HG   GLU  21          2HG       GLU  21  99.453 136.373 103.707
   76    H    GLY  22           H        GLY  22 101.882 138.038 107.212
   77   1HA   GLY  22          1HA       GLY  22 102.506 138.074 109.435
   78   2HA   GLY  22          2HA       GLY  22 102.555 136.315 109.435
   79    H    HIS  23           H        HIS  23 104.419 137.738 106.924
   80    HA   HIS  23           HA       HIS  23 106.668 138.498 108.470
   81   1HB   HIS  23          1HB       HIS  23 108.302 136.914 107.860
   82   2HB   HIS  23          2HB       HIS  23 107.102 136.036 108.684
   83    HD1  HIS  23           HD1      HIS  23 105.404 134.578 106.819
   84    HD2  HIS  23           HD2      HIS  23 109.063 136.065 105.557
   85    HE1  HIS  23           HE1      HIS  23 106.029 133.383 104.670
   86    H    THR  24           H        THR  24 108.490 139.005 107.168
   87    HA   THR  24           HA       THR  24 107.745 140.066 104.474
   88    HB   THR  24           HB       THR  24 109.723 141.671 105.053
   89    HG1  THR  24           HG1      THR  24 110.436 140.302 106.831
   90   1HG2  THR  24          1HG2      THR  24 107.403 142.387 105.142
   91   2HG2  THR  24          2HG2      THR  24 107.272 141.773 106.817
   92   3HG2  THR  24          3HG2      THR  24 108.386 143.116 106.439
   93    H    ALA  25           H        ALA  25 109.550 140.376 102.989
   94    HA   ALA  25           HA       ALA  25 111.042 138.025 102.463
   95   1HB   ALA  25          1HB       ALA  25 111.522 140.861 101.488
   96   2HB   ALA  25          2HB       ALA  25 112.167 139.355 100.786
   97   3HB   ALA  25          3HB       ALA  25 110.421 139.663 100.770
   98    H    ARG  26           H        ARG  26 111.757 140.742 104.618
   99    HA   ARG  26           HA       ARG  26 114.648 140.214 104.629
  100   1HB   ARG  26          2HB       ARG  26 114.701 141.709 106.586
  101   2HB   ARG  26          1HB       ARG  26 114.022 142.437 105.125
  102   1HG   ARG  26          2HG       ARG  26 111.785 142.267 105.962
  103   2HG   ARG  26          1HG       ARG  26 112.309 141.283 107.354
  104   1HD   ARG  26          2HD       ARG  26 113.484 143.184 108.313
  105   2HD   ARG  26          1HD       ARG  26 113.237 144.127 106.838
  106    HE   ARG  26           HE       ARG  26 111.165 144.720 107.511
  107   1HH1  ARG  26          1HH2      ARG  26 112.038 141.825 109.405
  108   2HH1  ARG  26          2HH2      ARG  26 110.672 141.978 110.469
  109   1HH2  ARG  26          1HH1      ARG  26 109.344 144.835 108.869
  110   2HH2  ARG  26          2HH1      ARG  26 109.113 143.662 110.138
  111    H    ASN  27           H        ASN  27 111.818 138.951 106.275
  112    HA   ASN  27           HA       ASN  27 113.374 137.523 108.328
  113   1HB   ASN  27          1HB       ASN  27 110.456 137.330 107.535
  114   2HB   ASN  27          2HB       ASN  27 111.202 136.582 108.951
  115   1HD2  ASN  27          1HD2      ASN  27 108.990 138.136 109.333
  116   2HD2  ASN  27          2HD2      ASN  27 109.422 139.652 110.080
  117    H    CYS  28           H        CYS  28 111.645 136.970 105.290
  118    HA   CYS  28           HA       CYS  28 111.623 134.178 105.275
  119   1HB   CYS  28          1HB       CYS  28 110.460 135.903 103.665
  120   2HB   CYS  28          2HB       CYS  28 111.850 135.813 102.744
  121    H    ARG  29           H        ARG  29 113.261 132.806 105.287
  122    HA   ARG  29           HA       ARG  29 115.666 133.335 103.580
  123   1HB   ARG  29          2HB       ARG  29 115.387 131.877 106.235
  124   2HB   ARG  29          1HB       ARG  29 116.803 131.716 105.160
  125   1HG   ARG  29          1HG       ARG  29 117.139 134.094 105.107
  126   2HG   ARG  29          2HG       ARG  29 115.689 134.412 106.038
  127   1HD   ARG  29          1HD       ARG  29 116.572 133.412 108.054
  128   2HD   ARG  29          2HD       ARG  29 118.015 132.860 107.189
  129    HE   ARG  29           HE       ARG  29 118.973 134.854 107.579
  130   1HH1  ARG  29          2HH2      ARG  29 115.447 135.520 107.672
  131   2HH1  ARG  29          1HH2      ARG  29 115.693 137.243 107.757
  132   1HH2  ARG  29          1HH1      ARG  29 119.208 137.092 107.841
  133   2HH2  ARG  29          2HH1      ARG  29 117.803 138.118 107.970
  134    H    ALA  30           H        ALA  30 113.662 132.874 102.324
  135    HA   ALA  30           HA       ALA  30 113.737 130.002 101.448
  136   1HB   ALA  30          1HB       ALA  30 111.487 130.448 100.442
  137   2HB   ALA  30          2HB       ALA  30 111.648 132.161 100.783
  138   3HB   ALA  30          3HB       ALA  30 111.416 131.024 102.123
  139    HA   PRO  31           HA       PRO  31 116.198 133.831  99.244
  140   1HB   PRO  31          1HB       PRO  31 116.130 131.351  97.570
  141   2HB   PRO  31          2HB       PRO  31 117.362 132.648  97.549
  142   1HG   PRO  31          2HG       PRO  31 117.607 130.478  99.259
  143   2HG   PRO  31          1HG       PRO  31 118.174 132.110  99.701
  144   1HD   PRO  31          2HD       PRO  31 116.014 130.620 100.909
  145   2HD   PRO  31          1HD       PRO  31 116.589 132.205 101.388
  146    H    ARG  32           H        ARG  32 115.940 134.867  96.969
  147    HA   ARG  32           HA       ARG  32 113.098 135.485  97.085
  148   1HB   ARG  32          1HB       ARG  32 115.213 136.719  95.320
  149   2HB   ARG  32          2HB       ARG  32 113.565 137.238  95.490
  150   1HG   ARG  32          2HG       ARG  32 114.648 138.695  96.833
  151   2HG   ARG  32          1HG       ARG  32 113.902 137.571  97.967
  152   1HD   ARG  32          1HD       ARG  32 116.805 137.239  97.139
  153   2HD   ARG  32          2HD       ARG  32 116.380 138.520  98.270
  154    HE   ARG  32           HE       ARG  32 116.644 135.758  98.860
  155   1HH1  ARG  32          2HH2      ARG  32 114.733 138.605  99.820
  156   2HH1  ARG  32          1HH2      ARG  32 114.414 137.998 101.428
  157   1HH2  ARG  32          1HH1      ARG  32 116.193 134.984 100.969
  158   2HH2  ARG  32          2HH1      ARG  32 115.202 135.916 102.058
  159    H    LYS  33           H        LYS  33 111.783 135.543  95.308
  160    HA   LYS  33           HA       LYS  33 111.950 133.133  93.665
  161   1HB   LYS  33          2HB       LYS  33 109.677 135.018  94.380
  162   2HB   LYS  33          1HB       LYS  33 109.468 133.442  93.637
  163   1HG   LYS  33          2HG       LYS  33 110.576 134.017  96.406
  164   2HG   LYS  33          1HG       LYS  33 109.062 133.263  95.968
  165   1HD   LYS  33          1HD       LYS  33 110.498 131.398  94.862
  166   2HD   LYS  33          2HD       LYS  33 111.874 132.143  95.708
  167   1HE   LYS  33          2HE       LYS  33 110.510 131.878  97.870
  168   2HE   LYS  33          1HE       LYS  33 109.406 130.864  96.929
  169   1HZ   LYS  33          1HZ       LYS  33 111.366 129.495  96.407
  170   2HZ   LYS  33          2HZ       LYS  33 112.270 130.429  97.432
  171   3HZ   LYS  33          3HZ       LYS  33 111.017 129.543  98.017
  172    H    LYS  34           H        LYS  34 110.680 133.037  91.718
  173    HA   LYS  34           HA       LYS  34 111.998 134.696  89.745
  174   1HB   LYS  34          2HB       LYS  34 110.374 132.131  89.688
  175   2HB   LYS  34          1HB       LYS  34 110.952 132.850  88.196
  176   1HG   LYS  34          2HG       LYS  34 113.043 132.480  90.321
  177   2HG   LYS  34          1HG       LYS  34 112.245 131.037  89.712
  178   1HD   LYS  34          2HD       LYS  34 114.271 131.472  88.436
  179   2HD   LYS  34          1HD       LYS  34 112.883 131.657  87.367
  180   1HE   LYS  34          2HE       LYS  34 114.259 134.018  88.751
  181   2HE   LYS  34          1HE       LYS  34 114.797 133.372  87.196
  182   1HZ   LYS  34          1HZ       LYS  34 113.381 135.214  86.878
  183   2HZ   LYS  34          2HZ       LYS  34 112.139 134.510  87.692
  184   3HZ   LYS  34          3HZ       LYS  34 112.667 133.859  86.275
  185    H    GLY  35           H        GLY  35 108.975 134.121  90.816
  186   1HA   GLY  35          1HA       GLY  35 107.341 135.475  88.798
  187   2HA   GLY  35          2HA       GLY  35 106.834 135.253  90.469
  188    H    CYS  36           H        CYS  36 106.071 137.531  89.573
  189    HA   CYS  36           HA       CYS  36 108.007 139.671  89.798
  190   1HB   CYS  36          2HB       CYS  36 105.461 139.875  88.857
  191   2HB   CYS  36          1HB       CYS  36 105.146 140.265  90.433
  192    H    TRP  37           H        TRP  37 108.926 140.378  91.573
  193    HA   TRP  37           HA       TRP  37 108.455 139.393  94.201
  194   1HB   TRP  37          2HB       TRP  37 110.490 140.524  92.942
  195   2HB   TRP  37          1HB       TRP  37 109.852 142.009  93.644
  196    HD1  TRP  37           HD1      TRP  37 111.196 138.551  94.366
  197    HE1  TRP  37           HE1      TRP  37 112.350 138.493  96.728
  198    HE3  TRP  37           HE3      TRP  37 110.109 143.265  95.904
  199    HZ2  TRP  37           HZ2      TRP  37 112.780 140.313  98.879
  200    HZ3  TRP  37           HZ3      TRP  37 110.960 144.134  98.080
  201    HH2  TRP  37           HH2      TRP  37 112.297 142.664  99.572
  202    H    LYS  38           H        LYS  38 107.012 141.974  92.364
  203    HA   LYS  38           HA       LYS  38 105.954 143.327  94.782
  204   1HB   LYS  38          1HB       LYS  38 107.654 144.338  93.239
  205   2HB   LYS  38          2HB       LYS  38 106.483 144.342  91.954
  206   1HG   LYS  38          1HG       LYS  38 106.009 145.701  94.637
  207   2HG   LYS  38          2HG       LYS  38 106.854 146.430  93.261
  208   1HD   LYS  38          1HD       LYS  38 104.706 145.933  91.887
  209   2HD   LYS  38          2HD       LYS  38 103.920 145.629  93.442
  210   1HE   LYS  38          1HE       LYS  38 103.501 147.897  92.674
  211   2HE   LYS  38          2HE       LYS  38 104.413 147.912  94.194
  212   1HZ   LYS  38          1HZ       LYS  38 105.713 148.122  91.570
  213   2HZ   LYS  38          2HZ       LYS  38 105.178 149.453  92.405
  214   3HZ   LYS  38          3HZ       LYS  38 106.343 148.475  93.038
  215    H    CYS  39           H        CYS  39 105.085 142.742  91.302
  216    HA   CYS  39           HA       CYS  39 102.440 143.826  91.929
  217   1HB   CYS  39          2HB       CYS  39 102.163 144.294  89.787
  218   2HB   CYS  39          1HB       CYS  39 103.897 144.166  89.767
  219    H    GLY  40           H        GLY  40 103.789 140.662  91.895
  220   1HA   GLY  40          1HA       GLY  40 102.706 138.972  93.075
  221   2HA   GLY  40          2HA       GLY  40 101.123 139.668  92.732
  222    H    LYS  41           H        LYS  41 102.049 139.859  89.741
  223    HA   LYS  41           HA       LYS  41 101.113 137.234  88.900
  224   1HB   LYS  41          1HB       LYS  41 102.409 139.537  87.424
  225   2HB   LYS  41          2HB       LYS  41 101.892 138.046  86.625
  226   1HG   LYS  41          1HG       LYS  41  99.593 138.369  87.306
  227   2HG   LYS  41          2HG       LYS  41 100.036 139.785  88.259
  228   1HD   LYS  41          2HD       LYS  41  99.011 140.501  86.193
  229   2HD   LYS  41          1HD       LYS  41 100.722 140.956  86.147
  230   1HE   LYS  41          2HE       LYS  41 101.219 139.036  84.672
  231   2HE   LYS  41          1HE       LYS  41  99.561 138.433  84.857
  232   1HZ   LYS  41          1HZ       LYS  41 100.321 140.968  83.588
  233   2HZ   LYS  41          2HZ       LYS  41  99.863 139.590  82.811
  234   3HZ   LYS  41          3HZ       LYS  41  98.785 140.395  83.758
  235    H    GLU  42           H        GLU  42 102.420 135.989  87.398
  236    HA   GLU  42           HA       GLU  42 105.285 135.765  88.188
  237   1HB   GLU  42          1HB       GLU  42 105.059 133.380  88.594
  238   2HB   GLU  42          2HB       GLU  42 103.975 134.299  89.649
  239   1HG   GLU  42          2HG       GLU  42 102.100 133.851  88.044
  240   2HG   GLU  42          1HG       GLU  42 103.199 132.837  87.090
  241    H    GLY  43           H        GLY  43 103.189 135.991  85.575
  242   1HA   GLY  43          1HA       GLY  43 104.786 134.374  83.708
  243   2HA   GLY  43          2HA       GLY  43 103.458 135.483  83.341
  244    H    HIS  44           H        HIS  44 106.549 135.749  85.016
  245    HA   HIS  44           HA       HIS  44 108.331 137.073  83.606
  246   1HB   HIS  44          1HB       HIS  44 108.044 139.483  83.999
  247   2HB   HIS  44          2HB       HIS  44 106.889 138.882  82.875
  248    HD1  HIS  44           HD1      HIS  44 104.345 139.152  83.674
  249    HD2  HIS  44           HD2      HIS  44 107.062 140.242  86.645
  250    HE1  HIS  44           HE1      HIS  44 103.148 140.501  85.462
  251    H    GLN  45           H        GLN  45 109.776 138.487  84.967
  252    HA   GLN  45           HA       GLN  45 109.524 137.858  87.875
  253   1HB   GLN  45          1HB       GLN  45 111.890 137.708  88.042
  254   2HB   GLN  45          2HB       GLN  45 111.452 136.802  86.596
  255   1HG   GLN  45          1HG       GLN  45 111.827 138.996  85.342
  256   2HG   GLN  45          2HG       GLN  45 112.703 139.529  86.735
  257   1HE2  GLN  45          2HE2      GLN  45 113.695 138.964  83.971
  258   2HE2  GLN  45          1HE2      GLN  45 114.951 137.755  84.156
  259    H    MET  46           H        MET  46 111.333 139.465  88.879
  260    HA   MET  46           HA       MET  46 109.614 141.730  89.285
  261   1HB   MET  46          1HB       MET  46 110.906 141.995  91.268
  262   2HB   MET  46          2HB       MET  46 110.944 140.287  90.907
  263   1HG   MET  46          1HG       MET  46 113.170 140.427  89.984
  264   2HG   MET  46          2HG       MET  46 113.194 142.181  90.181
  265   1HE   MET  46          1HE       MET  46 113.584 142.729  93.985
  266   2HE   MET  46          2HE       MET  46 112.094 142.858  93.033
  267   3HE   MET  46          3HE       MET  46 113.628 143.466  92.369
  268    H    LYS  47           H        LYS  47 112.765 141.217  87.793
  269    HA   LYS  47           HA       LYS  47 113.378 143.908  87.131
  270   1HB   LYS  47          1HB       LYS  47 114.208 141.561  85.392
  271   2HB   LYS  47          2HB       LYS  47 115.078 143.047  85.785
  272   1HG   LYS  47          1HG       LYS  47 115.059 142.038  88.240
  273   2HG   LYS  47          2HG       LYS  47 114.707 140.519  87.425
  274   1HD   LYS  47          1HD       LYS  47 117.107 142.305  86.846
  275   2HD   LYS  47          2HD       LYS  47 117.123 140.829  87.826
  276   1HE   LYS  47          1HE       LYS  47 116.402 139.498  85.855
  277   2HE   LYS  47          2HE       LYS  47 116.413 140.963  84.854
  278   1HZ   LYS  47          1HZ       LYS  47 118.742 139.812  86.212
  279   2HZ   LYS  47          2HZ       LYS  47 118.741 141.179  85.289
  280   3HZ   LYS  47          3HZ       LYS  47 118.406 139.721  84.602
  281    H    ASP  48           H        ASP  48 112.064 141.281  85.173
  282    HA   ASP  48           HA       ASP  48 111.505 142.438  82.759
  283   1HB   ASP  48          2HB       ASP  48 110.046 140.383  84.426
  284   2HB   ASP  48          1HB       ASP  48 109.519 140.724  82.797
  285    H    CYS  49           H        CYS  49 109.366 142.429  85.632
  286    HA   CYS  49           HA       CYS  49 107.021 143.088  84.461
  287   1HB   CYS  49          2HB       CYS  49 107.284 142.447  86.740
  288   2HB   CYS  49          1HB       CYS  49 107.914 143.990  87.201
  289    H    THR  50           H        THR  50 106.312 144.773  83.269
  290    HA   THR  50           HA       THR  50 107.547 147.442  83.356
  291    HB   THR  50           HB       THR  50 105.946 147.891  81.513
  292    HG1  THR  50           HG1      THR  50 104.310 146.488  82.164
  293   1HG2  THR  50          1HG2      THR  50 108.184 146.934  81.020
  294   2HG2  THR  50          2HG2      THR  50 106.950 146.406  79.860
  295   3HG2  THR  50          3HG2      THR  50 107.505 145.295  81.125
  296    H    GLU  51           H        GLU  51 106.746 147.071  85.818
  297    HA   GLU  51           HA       GLU  51 104.131 148.354  86.266
  298   1HB   GLU  51          2HB       GLU  51 104.652 147.931  88.612
  299   2HB   GLU  51          1HB       GLU  51 104.690 146.472  87.670
  300   1HG   GLU  51          2HG       GLU  51 107.224 146.563  87.663
  301   2HG   GLU  51          1HG       GLU  51 107.127 148.059  88.606
  302    H    ARG  52           H        ARG  52 107.641 148.881  86.353
  303    HA   ARG  52           HA       ARG  52 107.587 151.573  87.396
  304   1HB   ARG  52          1HB       ARG  52 109.655 150.088  85.742
  305   2HB   ARG  52          2HB       ARG  52 109.933 151.554  86.684
  306   1HG   ARG  52          2HG       ARG  52 109.529 150.287  88.775
  307   2HG   ARG  52          1HG       ARG  52 109.208 148.818  87.837
  308   1HD   ARG  52          1HD       ARG  52 111.826 150.356  87.927
  309   2HD   ARG  52          2HD       ARG  52 111.520 148.778  88.653
  310    HE   ARG  52           HE       ARG  52 112.085 149.418  85.862
  311   1HH1  ARG  52          2HH2      ARG  52 110.682 146.917  87.981
  312   2HH1  ARG  52          1HH2      ARG  52 110.680 145.705  86.725
  313   1HH2  ARG  52          2HH1      ARG  52 111.916 147.841  84.199
  314   2HH2  ARG  52          1HH1      ARG  52 111.452 146.210  84.625
  315    H    GLN  53           H        GLN  53 108.086 150.043  84.241
  316    HA   GLN  53           HA       GLN  53 108.236 152.538  82.769
  317   1HB   GLN  53          1HB       GLN  53 108.418 149.597  81.973
  318   2HB   GLN  53          2HB       GLN  53 108.782 150.972  80.917
  319   1HG   GLN  53          1HG       GLN  53 110.615 151.670  82.383
  320   2HG   GLN  53          2HG       GLN  53 110.221 150.422  83.560
  321   1HE2  GLN  53          1HE2      GLN  53 110.820 150.516  79.990
  322   2HE2  GLN  53          2HE2      GLN  53 111.896 149.135  80.000
  Start of MODEL    2
    1   1H    ASN  12          1H        ASN  12  97.454 143.451 107.335
    2   2H    ASN  12          2H        ASN  12  96.054 142.740 106.834
    3   3H    ASN  12          3H        ASN  12  97.136 143.317 105.726
    4    HA   ASN  12           HA       ASN  12  97.557 141.127 107.569
    5   1HB   ASN  12          2HB       ASN  12  97.804 139.719 105.480
    6   2HB   ASN  12          1HB       ASN  12  96.204 140.104 106.116
    7   1HD2  ASN  12          1HD2      ASN  12  94.900 141.690 105.165
    8   2HD2  ASN  12          2HD2      ASN  12  95.286 142.411 103.631
    9    H    VAL  13           H        VAL  13  99.708 140.901 108.095
   10    HA   VAL  13           HA       VAL  13 101.823 142.099 106.455
   11    HB   VAL  13           HB       VAL  13 102.391 142.147 108.707
   12   1HG1  VAL  13          1HG2      VAL  13 102.432 140.138 110.191
   13   2HG1  VAL  13          2HG2      VAL  13 100.803 140.652 109.734
   14   3HG1  VAL  13          3HG2      VAL  13 101.546 139.239 108.944
   15   1HG2  VAL  13          1HG1      VAL  13 104.249 141.228 107.230
   16   2HG2  VAL  13          2HG1      VAL  13 103.793 139.597 107.756
   17   3HG2  VAL  13          3HG1      VAL  13 104.385 140.762 108.932
   18    H    LYS  14           H        LYS  14 102.854 141.128 104.876
   19    HA   LYS  14           HA       LYS  14 103.365 138.338 104.877
   20   1HB   LYS  14          2HB       LYS  14 102.581 137.668 102.756
   21   2HB   LYS  14          1HB       LYS  14 101.209 138.257 103.549
   22   1HG   LYS  14          2HG       LYS  14 102.770 139.830 101.554
   23   2HG   LYS  14          1HG       LYS  14 101.299 138.926 101.225
   24   1HD   LYS  14          2HD       LYS  14 100.152 140.333 103.045
   25   2HD   LYS  14          1HD       LYS  14 101.566 141.408 102.980
   26   1HE   LYS  14          2HE       LYS  14 101.157 141.847 100.600
   27   2HE   LYS  14          1HE       LYS  14  99.791 140.712 100.604
   28   1HZ   LYS  14          1HZ       LYS  14  98.703 142.097 102.201
   29   2HZ   LYS  14          2HZ       LYS  14  99.956 143.169 102.198
   30   3HZ   LYS  14          3HZ       LYS  14  99.051 142.955 100.834
   31    H    CYS  15           H        CYS  15 104.658 137.822 102.987
   32    HA   CYS  15           HA       CYS  15 106.915 139.690 103.018
   33   1HB   CYS  15          1HB       CYS  15 107.075 137.456 103.845
   34   2HB   CYS  15          2HB       CYS  15 106.389 136.771 102.400
   35    H    PHE  16           H        PHE  16 108.275 139.655 101.004
   36    HA   PHE  16           HA       PHE  16 106.663 139.941  98.479
   37   1HB   PHE  16          1HB       PHE  16 109.000 141.619  99.433
   38   2HB   PHE  16          2HB       PHE  16 108.217 141.712  97.859
   39    HD1  PHE  16           HD1      PHE  16 107.890 142.487 101.461
   40    HD2  PHE  16           HD2      PHE  16 105.925 142.618  97.622
   41    HE1  PHE  16           HE1      PHE  16 106.130 143.951 102.408
   42    HE2  PHE  16           HE2      PHE  16 104.183 144.107  98.571
   43    HZ   PHE  16           HZ       PHE  16 104.276 144.765 100.967
   44    H    ASN  17           H        ASN  17 109.809 139.287  99.872
   45    HA   ASN  17           HA       ASN  17 111.337 138.126  97.904
   46   1HB   ASN  17          1HB       ASN  17 112.053 138.635 100.179
   47   2HB   ASN  17          2HB       ASN  17 110.896 137.516 100.835
   48   1HD2  ASN  17          2HD2      ASN  17 111.124 135.161  99.890
   49   2HD2  ASN  17          1HD2      ASN  17 112.707 134.565 100.262
   50    H    CYS  18           H        CYS  18 108.713 136.635  99.750
   51    HA   CYS  18           HA       CYS  18 108.472 134.447  97.754
   52   1HB   CYS  18          2HB       CYS  18 108.137 132.796  99.222
   53   2HB   CYS  18          1HB       CYS  18 109.587 133.609  99.793
   54    H    GLY  19           H        GLY  19 106.801 136.558 100.190
   55   1HA   GLY  19          1HA       GLY  19 104.565 137.190 100.417
   56   2HA   GLY  19          2HA       GLY  19 104.347 136.690  98.728
   57    H    LYS  20           H        LYS  20 104.987 135.405 101.956
   58    HA   LYS  20           HA       LYS  20 102.371 134.016 101.996
   59   1HB   LYS  20          1HB       LYS  20 104.712 133.001 103.581
   60   2HB   LYS  20          2HB       LYS  20 103.182 132.282 103.412
   61   1HG   LYS  20          2HG       LYS  20 103.861 132.244 100.817
   62   2HG   LYS  20          1HG       LYS  20 105.450 132.457 101.485
   63   1HD   LYS  20          2HD       LYS  20 105.474 130.180 101.469
   64   2HD   LYS  20          1HD       LYS  20 104.765 130.403 103.065
   65   1HE   LYS  20          1HE       LYS  20 103.257 129.874 100.450
   66   2HE   LYS  20          2HE       LYS  20 103.534 128.704 101.749
   67   1HZ   LYS  20          1HZ       LYS  20 101.354 129.623 101.858
   68   2HZ   LYS  20          2HZ       LYS  20 102.211 130.081 103.189
   69   3HZ   LYS  20          3HZ       LYS  20 101.939 131.157 101.969
   70    H    GLU  21           H        GLU  21 101.414 134.269 103.982
   71    HA   GLU  21           HA       GLU  21 101.956 136.845 105.017
   72   1HB   GLU  21          1HB       GLU  21  99.929 134.799 105.902
   73   2HB   GLU  21          2HB       GLU  21  99.924 136.531 106.321
   74   1HG   GLU  21          1HG       GLU  21  99.432 137.232 104.185
   75   2HG   GLU  21          2HG       GLU  21  99.944 135.744 103.428
   76    H    GLY  22           H        GLY  22 101.818 137.305 107.311
   77   1HA   GLY  22          1HA       GLY  22 102.325 137.125 109.572
   78   2HA   GLY  22          2HA       GLY  22 102.576 135.394 109.365
   79    H    HIS  23           H        HIS  23 104.380 137.275 107.133
   80    HA   HIS  23           HA       HIS  23 106.485 138.070 108.869
   81   1HB   HIS  23          2HB       HIS  23 108.284 136.713 108.186
   82   2HB   HIS  23          1HB       HIS  23 107.113 135.631 108.792
   83    HD1  HIS  23           HD1      HIS  23 105.664 134.279 106.709
   84    HD2  HIS  23           HD2      HIS  23 109.200 136.244 105.820
   85    HE1  HIS  23           HE1      HIS  23 106.441 133.487 104.419
   86    H    THR  24           H        THR  24 108.366 138.808 107.604
   87    HA   THR  24           HA       THR  24 107.429 140.265 105.155
   88    HB   THR  24           HB       THR  24 109.191 141.954 105.857
   89    HG1  THR  24           HG1      THR  24 109.244 140.514 108.289
   90   1HG2  THR  24          1HG2      THR  24 107.998 142.917 107.713
   91   2HG2  THR  24          2HG2      THR  24 107.127 141.389 108.000
   92   3HG2  THR  24          3HG2      THR  24 106.860 142.302 106.488
   93    H    ALA  25           H        ALA  25 109.147 141.021 103.736
   94    HA   ALA  25           HA       ALA  25 110.837 139.022 102.664
   95   1HB   ALA  25          1HB       ALA  25 110.080 141.004 101.420
   96   2HB   ALA  25          2HB       ALA  25 111.851 140.889 101.413
   97   3HB   ALA  25          3HB       ALA  25 111.041 142.056 102.481
   98    H    ARG  26           H        ARG  26 111.387 141.339 105.347
   99    HA   ARG  26           HA       ARG  26 114.289 140.893 105.229
  100   1HB   ARG  26          1HB       ARG  26 114.436 142.237 107.221
  101   2HB   ARG  26          2HB       ARG  26 113.562 143.044 105.914
  102   1HG   ARG  26          2HG       ARG  26 111.429 142.637 107.020
  103   2HG   ARG  26          1HG       ARG  26 112.219 141.665 108.280
  104   1HD   ARG  26          2HD       ARG  26 111.775 143.876 109.169
  105   2HD   ARG  26          1HD       ARG  26 113.512 143.636 109.005
  106    HE   ARG  26           HE       ARG  26 113.633 145.326 107.472
  107   1HH1  ARG  26          2HH2      ARG  26 110.222 144.388 107.776
  108   2HH1  ARG  26          1HH2      ARG  26 109.638 145.723 106.815
  109   1HH2  ARG  26          2HH1      ARG  26 112.857 147.063 106.206
  110   2HH2  ARG  26          1HH1      ARG  26 111.148 147.247 105.912
  111    H    ASN  27           H        ASN  27 111.529 139.536 106.994
  112    HA   ASN  27           HA       ASN  27 113.156 137.995 108.853
  113   1HB   ASN  27          1HB       ASN  27 110.254 137.780 107.994
  114   2HB   ASN  27          2HB       ASN  27 110.982 136.859 109.319
  115   1HD2  ASN  27          2HD2      ASN  27 108.787 138.255 109.964
  116   2HD2  ASN  27          1HD2      ASN  27 109.196 139.691 110.878
  117    H    CYS  28           H        CYS  28 111.668 137.465 105.696
  118    HA   CYS  28           HA       CYS  28 111.433 134.743 105.624
  119   1HB   CYS  28          1HB       CYS  28 110.633 136.468 103.918
  120   2HB   CYS  28          2HB       CYS  28 112.209 136.464 103.267
  121    H    ARG  29           H        ARG  29 112.634 133.043 105.377
  122    HA   ARG  29           HA       ARG  29 115.295 133.181 104.054
  123   1HB   ARG  29          2HB       ARG  29 114.673 131.642 106.614
  124   2HB   ARG  29          1HB       ARG  29 116.153 131.470 105.631
  125   1HG   ARG  29          2HG       ARG  29 116.542 133.913 105.812
  126   2HG   ARG  29          1HG       ARG  29 115.120 134.050 106.847
  127   1HD   ARG  29          1HD       ARG  29 116.174 132.517 108.508
  128   2HD   ARG  29          2HD       ARG  29 117.644 132.478 107.502
  129    HE   ARG  29           HE       ARG  29 116.948 135.186 108.008
  130   1HH1  ARG  29          1HH2      ARG  29 118.153 132.362 109.782
  131   2HH1  ARG  29          2HH2      ARG  29 118.985 133.310 110.988
  132   1HH2  ARG  29          2HH1      ARG  29 118.041 136.426 109.590
  133   2HH2  ARG  29          1HH1      ARG  29 118.921 135.641 110.875
  134    H    ALA  30           H        ALA  30 113.265 132.966 102.758
  135    HA   ALA  30           HA       ALA  30 113.122 130.095 101.837
  136   1HB   ALA  30          1HB       ALA  30 110.862 131.069 102.670
  137   2HB   ALA  30          2HB       ALA  30 110.952 132.168 101.278
  138   3HB   ALA  30          3HB       ALA  30 110.867 130.435 101.012
  139    HA   PRO  31           HA       PRO  31 115.634 133.768  99.480
  140   1HB   PRO  31          1HB       PRO  31 115.548 131.116  98.043
  141   2HB   PRO  31          2HB       PRO  31 116.767 132.421  97.831
  142   1HG   PRO  31          2HG       PRO  31 117.130 130.486  99.736
  143   2HG   PRO  31          1HG       PRO  31 117.553 132.188 100.067
  144   1HD   PRO  31          1HD       PRO  31 115.407 130.604 101.257
  145   2HD   PRO  31          2HD       PRO  31 115.979 132.206 101.747
  146    H    ARG  32           H        ARG  32 115.589 134.421  97.010
  147    HA   ARG  32           HA       ARG  32 112.975 135.532  96.871
  148   1HB   ARG  32          2HB       ARG  32 115.377 135.714  94.988
  149   2HB   ARG  32          1HB       ARG  32 113.965 136.763  94.972
  150   1HG   ARG  32          1HG       ARG  32 115.622 137.929  95.977
  151   2HG   ARG  32          2HG       ARG  32 114.528 137.548  97.296
  152   1HD   ARG  32          1HD       ARG  32 116.990 135.813  96.849
  153   2HD   ARG  32          2HD       ARG  32 117.222 137.473  97.403
  154    HE   ARG  32           HE       ARG  32 115.199 136.292  98.988
  155   1HH1  ARG  32          2HH2      ARG  32 118.723 136.174  98.580
  156   2HH1  ARG  32          1HH2      ARG  32 119.028 135.929 100.280
  157   1HH2  ARG  32          2HH1      ARG  32 115.594 136.041 101.173
  158   2HH2  ARG  32          1HH1      ARG  32 117.218 135.819 101.780
  159    H    LYS  33           H        LYS  33 111.867 135.717  94.761
  160    HA   LYS  33           HA       LYS  33 111.235 132.994  93.847
  161   1HB   LYS  33          2HB       LYS  33 109.130 133.824  93.323
  162   2HB   LYS  33          1HB       LYS  33 109.596 134.592  94.831
  163   1HG   LYS  33          1HG       LYS  33 110.205 136.657  93.488
  164   2HG   LYS  33          2HG       LYS  33 109.653 135.818  92.036
  165   1HD   LYS  33          1HD       LYS  33 107.827 137.141  92.716
  166   2HD   LYS  33          2HD       LYS  33 107.383 135.494  93.138
  167   1HE   LYS  33          2HE       LYS  33 107.747 135.867  95.472
  168   2HE   LYS  33          1HE       LYS  33 108.764 137.282  95.163
  169   1HZ   LYS  33          1HZ       LYS  33 106.677 137.924  95.982
  170   2HZ   LYS  33          2HZ       LYS  33 106.827 138.466  94.443
  171   3HZ   LYS  33          3HZ       LYS  33 105.860 137.161  94.760
  172    H    LYS  34           H        LYS  34 110.113 133.095  91.561
  173    HA   LYS  34           HA       LYS  34 111.926 134.173  89.512
  174   1HB   LYS  34          2HB       LYS  34 112.028 132.221  88.353
  175   2HB   LYS  34          1HB       LYS  34 112.919 132.352  89.897
  176   1HG   LYS  34          1HG       LYS  34 111.272 130.844  91.005
  177   2HG   LYS  34          2HG       LYS  34 110.319 130.754  89.515
  178   1HD   LYS  34          1HD       LYS  34 112.257 129.649  88.367
  179   2HD   LYS  34          2HD       LYS  34 113.153 129.700  89.894
  180   1HE   LYS  34          1HE       LYS  34 112.199 127.485  89.609
  181   2HE   LYS  34          2HE       LYS  34 111.392 128.288  90.966
  182   1HZ   LYS  34          1HZ       LYS  34 110.336 128.073  88.227
  183   2HZ   LYS  34          2HZ       LYS  34 109.566 128.780  89.499
  184   3HZ   LYS  34          3HZ       LYS  34 109.860 127.162  89.513
  185    H    GLY  35           H        GLY  35 110.282 135.130  89.917
  186   1HA   GLY  35          1HA       GLY  35 108.365 135.532  87.733
  187   2HA   GLY  35          2HA       GLY  35 107.503 135.157  89.234
  188    H    CYS  36           H        CYS  36 106.812 137.448  88.489
  189    HA   CYS  36           HA       CYS  36 108.531 139.663  89.028
  190   1HB   CYS  36          2HB       CYS  36 106.215 139.821  87.877
  191   2HB   CYS  36          1HB       CYS  36 105.526 139.862  89.358
  192    H    TRP  37           H        TRP  37 109.545 139.728  90.855
  193    HA   TRP  37           HA       TRP  37 109.057 138.887  93.396
  194   1HB   TRP  37          2HB       TRP  37 111.022 140.125  92.245
  195   2HB   TRP  37          1HB       TRP  37 110.262 141.605  92.834
  196    HD1  TRP  37           HD1      TRP  37 112.012 138.439  93.766
  197    HE1  TRP  37           HE1      TRP  37 112.961 138.583  96.210
  198    HE3  TRP  37           HE3      TRP  37 109.793 142.796  95.250
  199    HZ2  TRP  37           HZ2      TRP  37 112.693 140.321  98.455
  200    HZ3  TRP  37           HZ3      TRP  37 110.210 143.711  97.514
  201    HH2  TRP  37           HH2      TRP  37 111.644 142.483  99.127
  202    H    LYS  38           H        LYS  38 107.683 141.697  91.758
  203    HA   LYS  38           HA       LYS  38 106.637 142.823  94.260
  204   1HB   LYS  38          2HB       LYS  38 108.090 144.020  92.526
  205   2HB   LYS  38          1HB       LYS  38 106.733 143.966  91.435
  206   1HG   LYS  38          1HG       LYS  38 106.778 146.077  92.480
  207   2HG   LYS  38          2HG       LYS  38 105.337 145.210  93.038
  208   1HD   LYS  38          2HD       LYS  38 106.338 144.803  95.216
  209   2HD   LYS  38          1HD       LYS  38 107.919 145.377  94.656
  210   1HE   LYS  38          1HE       LYS  38 106.712 147.032  96.076
  211   2HE   LYS  38          2HE       LYS  38 107.087 147.655  94.460
  212   1HZ   LYS  38          1HZ       LYS  38 104.845 148.156  95.179
  213   2HZ   LYS  38          2HZ       LYS  38 104.861 147.257  93.801
  214   3HZ   LYS  38          3HZ       LYS  38 104.480 146.549  95.245
  215    H    CYS  39           H        CYS  39 105.545 142.023  90.901
  216    HA   CYS  39           HA       CYS  39 102.781 142.720  91.764
  217   1HB   CYS  39          2HB       CYS  39 102.469 143.662  89.820
  218   2HB   CYS  39          1HB       CYS  39 104.200 143.626  89.649
  219    H    GLY  40           H        GLY  40 104.700 139.944  91.136
  220   1HA   GLY  40          1HA       GLY  40 103.947 137.917  92.005
  221   2HA   GLY  40          2HA       GLY  40 102.275 138.282  91.591
  222    H    LYS  41           H        LYS  41 102.883 139.070  88.812
  223    HA   LYS  41           HA       LYS  41 102.378 136.455  87.771
  224   1HB   LYS  41          1HB       LYS  41 103.128 138.920  86.248
  225   2HB   LYS  41          2HB       LYS  41 102.440 137.478  85.523
  226   1HG   LYS  41          2HG       LYS  41 100.354 137.736  86.517
  227   2HG   LYS  41          1HG       LYS  41 100.939 138.873  87.725
  228   1HD   LYS  41          2HD       LYS  41  99.561 140.006  86.057
  229   2HD   LYS  41          1HD       LYS  41 101.225 140.594  85.941
  230   1HE   LYS  41          2HE       LYS  41 101.622 139.141  83.973
  231   2HE   LYS  41          1HE       LYS  41 100.017 138.411  84.167
  232   1HZ   LYS  41          1HZ       LYS  41 100.536 141.230  83.533
  233   2HZ   LYS  41          2HZ       LYS  41  99.052 140.536  83.711
  234   3HZ   LYS  41          3HZ       LYS  41 100.033 140.071  82.475
  235    H    GLU  42           H        GLU  42 103.479 135.292  86.386
  236    HA   GLU  42           HA       GLU  42 106.466 135.404  86.648
  237   1HB   GLU  42          1HB       GLU  42 106.518 132.996  86.792
  238   2HB   GLU  42          2HB       GLU  42 105.508 133.700  88.062
  239   1HG   GLU  42          2HG       GLU  42 103.474 133.154  86.751
  240   2HG   GLU  42          1HG       GLU  42 104.492 132.428  85.491
  241    H    GLY  43           H        GLY  43 104.054 135.593  84.306
  242   1HA   GLY  43          1HA       GLY  43 105.320 134.378  82.057
  243   2HA   GLY  43          2HA       GLY  43 104.227 135.775  82.037
  244    H    HIS  44           H        HIS  44 105.982 137.265  83.942
  245    HA   HIS  44           HA       HIS  44 108.466 137.777  82.393
  246   1HB   HIS  44          2HB       HIS  44 108.201 140.160  82.899
  247   2HB   HIS  44          1HB       HIS  44 106.933 139.579  81.873
  248    HD1  HIS  44           HD1      HIS  44 104.480 139.779  82.849
  249    HD2  HIS  44           HD2      HIS  44 107.377 140.688  85.708
  250    HE1  HIS  44           HE1      HIS  44 103.365 140.778  84.888
  251    H    GLN  45           H        GLN  45 109.923 139.180  83.868
  252    HA   GLN  45           HA       GLN  45 109.879 138.040  86.639
  253   1HB   GLN  45          2HB       GLN  45 112.261 138.050  86.625
  254   2HB   GLN  45          1HB       GLN  45 111.742 137.317  85.122
  255   1HG   GLN  45          1HG       GLN  45 111.871 139.864  84.296
  256   2HG   GLN  45          2HG       GLN  45 113.015 139.945  85.573
  257   1HE2  GLN  45          2HE2      GLN  45 112.417 138.611  82.391
  258   2HE2  GLN  45          1HE2      GLN  45 114.013 137.928  82.147
  259    H    MET  46           H        MET  46 111.555 139.487  87.874
  260    HA   MET  46           HA       MET  46 109.912 141.701  88.677
  261   1HB   MET  46          1HB       MET  46 111.471 141.733  90.584
  262   2HB   MET  46          2HB       MET  46 111.337 140.062  90.057
  263   1HG   MET  46          2HG       MET  46 113.427 140.254  88.774
  264   2HG   MET  46          1HG       MET  46 113.634 141.907  89.366
  265   1HE   MET  46          1HE       MET  46 114.471 141.440  93.118
  266   2HE   MET  46          2HE       MET  46 112.902 141.879  92.417
  267   3HE   MET  46          3HE       MET  46 114.399 142.567  91.745
  268    H    LYS  47           H        LYS  47 112.874 141.415  86.831
  269    HA   LYS  47           HA       LYS  47 113.510 144.208  86.709
  270   1HB   LYS  47          2HB       LYS  47 114.220 142.166  84.561
  271   2HB   LYS  47          1HB       LYS  47 115.048 143.658  85.018
  272   1HG   LYS  47          2HG       LYS  47 115.256 142.363  87.367
  273   2HG   LYS  47          1HG       LYS  47 115.060 140.945  86.343
  274   1HD   LYS  47          2HD       LYS  47 117.165 143.136  86.065
  275   2HD   LYS  47          1HD       LYS  47 117.448 141.507  86.680
  276   1HE   LYS  47          2HE       LYS  47 116.574 142.173  83.820
  277   2HE   LYS  47          1HE       LYS  47 118.228 141.839  84.339
  278   1HZ   LYS  47          1HZ       LYS  47 117.210 139.919  83.416
  279   2HZ   LYS  47          2HZ       LYS  47 115.996 139.937  84.521
  280   3HZ   LYS  47          3HZ       LYS  47 117.545 139.661  85.007
  281    H    ASP  48           H        ASP  48 112.037 142.018  84.364
  282    HA   ASP  48           HA       ASP  48 111.410 143.657  82.259
  283   1HB   ASP  48          1HB       ASP  48 109.895 141.339  83.488
  284   2HB   ASP  48          2HB       ASP  48 109.494 141.977  81.898
  285    H    CYS  49           H        CYS  49 109.411 143.080  85.161
  286    HA   CYS  49           HA       CYS  49 107.005 143.897  84.256
  287   1HB   CYS  49          2HB       CYS  49 107.453 142.829  86.359
  288   2HB   CYS  49          1HB       CYS  49 108.047 144.268  87.079
  289    H    THR  50           H        THR  50 106.021 145.670  83.639
  290    HA   THR  50           HA       THR  50 107.323 148.193  83.391
  291    HB   THR  50           HB       THR  50 105.079 148.872  82.463
  292    HG1  THR  50           HG1      THR  50 103.565 147.197  82.250
  293   1HG2  THR  50          1HG2      THR  50 106.238 146.261  81.380
  294   2HG2  THR  50          2HG2      THR  50 106.845 147.894  81.029
  295   3HG2  THR  50          3HG2      THR  50 105.224 147.416  80.493
  296    H    GLU  51           H        GLU  51 105.603 146.881  86.065
  297    HA   GLU  51           HA       GLU  51 104.538 149.296  87.213
  298   1HB   GLU  51          1HB       GLU  51 103.921 147.061  88.059
  299   2HB   GLU  51          2HB       GLU  51 105.591 146.719  88.517
  300   1HG   GLU  51          1HG       GLU  51 105.446 148.873  89.965
  301   2HG   GLU  51          2HG       GLU  51 103.724 148.808  89.650
  302    H    ARG  52           H        ARG  52 107.561 147.466  87.557
  303    HA   ARG  52           HA       ARG  52 109.012 149.449  89.022
  304   1HB   ARG  52          2HB       ARG  52 110.028 147.107  87.372
  305   2HB   ARG  52          1HB       ARG  52 110.911 147.978  88.618
  306   1HG   ARG  52          1HG       ARG  52 108.411 146.263  89.084
  307   2HG   ARG  52          2HG       ARG  52 110.081 145.801  89.360
  308   1HD   ARG  52          2HD       ARG  52 109.351 146.356  91.476
  309   2HD   ARG  52          1HD       ARG  52 110.269 147.770  90.977
  310    HE   ARG  52           HE       ARG  52 107.261 147.491  90.885
  311   1HH1  ARG  52          2HH2      ARG  52 110.038 149.655  91.468
  312   2HH1  ARG  52          1HH2      ARG  52 109.054 150.871  92.231
  313   1HH2  ARG  52          1HH1      ARG  52 106.039 149.052  91.974
  314   2HH2  ARG  52          2HH1      ARG  52 106.773 150.565  92.452
  315    H    GLN  53           H        GLN  53 109.084 148.459  85.594
  316    HA   GLN  53           HA       GLN  53 110.836 150.710  84.878
  317   1HB   GLN  53          1HB       GLN  53 109.673 148.388  83.278
  318   2HB   GLN  53          2HB       GLN  53 110.794 149.618  82.681
  319   1HG   GLN  53          2HG       GLN  53 112.394 148.926  84.529
  320   2HG   GLN  53          1HG       GLN  53 111.317 147.562  84.857
  321   1HE2  GLN  53          2HE2      GLN  53 110.645 146.404  82.560
  322   2HE2  GLN  53          1HE2      GLN  53 112.031 146.036  81.558
  Start of MODEL    3
    1   1H    ASN  12          1H        ASN  12  95.527 139.748 106.566
    2   2H    ASN  12          2H        ASN  12  96.731 138.867 105.838
    3   3H    ASN  12          3H        ASN  12  96.235 140.272 105.169
    4    HA   ASN  12           HA       ASN  12  97.049 141.542 106.955
    5   1HB   ASN  12          1HB       ASN  12  98.272 140.685 108.807
    6   2HB   ASN  12          2HB       ASN  12  96.641 140.020 108.757
    7   1HD2  ASN  12          1HD2      ASN  12  96.324 137.889 107.769
    8   2HD2  ASN  12          2HD2      ASN  12  97.687 136.861 107.478
    9    H    VAL  13           H        VAL  13  99.553 141.643 107.554
   10    HA   VAL  13           HA       VAL  13 101.231 142.078 105.455
   11    HB   VAL  13           HB       VAL  13 102.197 142.580 107.505
   12   1HG1  VAL  13          1HG2      VAL  13 102.521 140.960 109.373
   13   2HG1  VAL  13          2HG2      VAL  13 101.582 139.767 108.459
   14   3HG1  VAL  13          3HG2      VAL  13 100.819 141.272 109.028
   15   1HG2  VAL  13          1HG1      VAL  13 103.941 141.380 106.068
   16   2HG2  VAL  13          2HG1      VAL  13 103.602 139.903 106.990
   17   3HG2  VAL  13          3HG1      VAL  13 104.263 141.307 107.805
   18    H    LYS  14           H        LYS  14 102.379 140.967 103.971
   19    HA   LYS  14           HA       LYS  14 103.021 138.204 104.407
   20   1HB   LYS  14          2HB       LYS  14 102.119 137.135 102.570
   21   2HB   LYS  14          1HB       LYS  14 100.794 138.069 103.133
   22   1HG   LYS  14          1HG       LYS  14 102.550 138.635 100.792
   23   2HG   LYS  14          2HG       LYS  14 100.852 138.161 100.771
   24   1HD   LYS  14          1HD       LYS  14 100.242 140.317 101.896
   25   2HD   LYS  14          2HD       LYS  14 101.933 140.846 101.736
   26   1HE   LYS  14          1HE       LYS  14 101.796 140.560  99.275
   27   2HE   LYS  14          2HE       LYS  14 100.093 140.083  99.429
   28   1HZ   LYS  14          1HZ       LYS  14  99.643 142.236 100.360
   29   2HZ   LYS  14          2HZ       LYS  14 100.323 142.379  98.867
   30   3HZ   LYS  14          3HZ       LYS  14 101.225 142.678 100.213
   31    H    CYS  15           H        CYS  15 104.210 137.394 102.513
   32    HA   CYS  15           HA       CYS  15 106.544 139.138 102.381
   33   1HB   CYS  15          1HB       CYS  15 106.598 137.000 103.449
   34   2HB   CYS  15          2HB       CYS  15 105.936 136.192 102.065
   35    H    PHE  16           H        PHE  16 107.704 139.601 100.609
   36    HA   PHE  16           HA       PHE  16 106.188 140.016  98.124
   37   1HB   PHE  16          1HB       PHE  16 109.037 140.714  98.866
   38   2HB   PHE  16          2HB       PHE  16 108.190 141.210  97.416
   39    HD1  PHE  16           HD1      PHE  16 106.055 142.631  97.669
   40    HD2  PHE  16           HD2      PHE  16 108.828 141.973 100.904
   41    HE1  PHE  16           HE1      PHE  16 105.128 144.600  98.874
   42    HE2  PHE  16           HE2      PHE  16 107.913 143.946 102.090
   43    HZ   PHE  16           HZ       PHE  16 106.066 145.264 101.077
   44    H    ASN  17           H        ASN  17 108.982 138.321  99.290
   45    HA   ASN  17           HA       ASN  17 109.921 136.936  97.022
   46   1HB   ASN  17          1HB       ASN  17 111.242 137.264  99.097
   47   2HB   ASN  17          2HB       ASN  17 110.014 136.518 100.020
   48   1HD2  ASN  17          1HD2      ASN  17 112.205 135.586 100.666
   49   2HD2  ASN  17          2HD2      ASN  17 112.432 133.969 100.061
   50    H    CYS  18           H        CYS  18 108.466 135.192  99.774
   51    HA   CYS  18           HA       CYS  18 107.627 133.141  97.915
   52   1HB   CYS  18          1HB       CYS  18 107.450 131.708  99.688
   53   2HB   CYS  18          2HB       CYS  18 108.919 132.649  99.927
   54    H    GLY  19           H        GLY  19 106.006 135.662  99.828
   55   1HA   GLY  19          1HA       GLY  19 103.776 136.280 100.071
   56   2HA   GLY  19          2HA       GLY  19 103.468 135.330  98.612
   57    H    LYS  20           H        LYS  20 104.534 134.598 101.912
   58    HA   LYS  20           HA       LYS  20 101.896 133.331 102.521
   59   1HB   LYS  20          1HB       LYS  20 104.364 132.695 104.070
   60   2HB   LYS  20          2HB       LYS  20 102.896 131.834 104.054
   61   1HG   LYS  20          2HG       LYS  20 103.299 131.265 101.673
   62   2HG   LYS  20          1HG       LYS  20 104.864 132.007 101.756
   63   1HD   LYS  20          1HD       LYS  20 105.521 130.451 103.612
   64   2HD   LYS  20          2HD       LYS  20 103.970 129.618 103.434
   65   1HE   LYS  20          1HE       LYS  20 106.135 129.873 101.285
   66   2HE   LYS  20          2HE       LYS  20 105.818 128.435 102.268
   67   1HZ   LYS  20          1HZ       LYS  20 103.949 129.643 100.352
   68   2HZ   LYS  20          2HZ       LYS  20 104.806 128.255 100.138
   69   3HZ   LYS  20          3HZ       LYS  20 103.634 128.326 101.293
   70    H    GLU  21           H        GLU  21 101.058 134.037 104.425
   71    HA   GLU  21           HA       GLU  21 101.714 136.727 104.915
   72   1HB   GLU  21          1HB       GLU  21  99.687 134.932 106.253
   73   2HB   GLU  21          2HB       GLU  21  99.822 136.684 106.521
   74   1HG   GLU  21          1HG       GLU  21  99.372 137.194 104.289
   75   2HG   GLU  21          2HG       GLU  21  99.391 135.515 103.796
   76    H    GLY  22           H        GLY  22 101.660 137.576 107.185
   77   1HA   GLY  22          1HA       GLY  22 102.303 137.774 109.391
   78   2HA   GLY  22          2HA       GLY  22 102.622 136.045 109.439
   79    H    HIS  23           H        HIS  23 104.217 137.601 106.836
   80    HA   HIS  23           HA       HIS  23 106.425 138.659 108.286
   81   1HB   HIS  23          1HB       HIS  23 108.163 137.173 107.759
   82   2HB   HIS  23          2HB       HIS  23 107.038 136.244 108.627
   83    HD1  HIS  23           HD1      HIS  23 105.419 134.608 106.830
   84    HD2  HIS  23           HD2      HIS  23 109.014 136.213 105.514
   85    HE1  HIS  23           HE1      HIS  23 106.100 133.379 104.716
   86    H    THR  24           H        THR  24 108.208 139.199 106.900
   87    HA   THR  24           HA       THR  24 107.315 140.031 104.161
   88    HB   THR  24           HB       THR  24 108.966 141.896 104.415
   89    HG1  THR  24           HG1      THR  24 109.191 140.925 107.076
   90   1HG2  THR  24          1HG2      THR  24 107.747 143.254 105.979
   91   2HG2  THR  24          2HG2      THR  24 106.995 141.819 106.720
   92   3HG2  THR  24          3HG2      THR  24 106.613 142.261 105.033
   93    H    ALA  25           H        ALA  25 109.129 140.379 102.627
   94    HA   ALA  25           HA       ALA  25 110.826 138.103 102.310
   95   1HB   ALA  25          1HB       ALA  25 110.054 139.504 100.467
   96   2HB   ALA  25          2HB       ALA  25 111.821 139.356 100.501
   97   3HB   ALA  25          3HB       ALA  25 111.042 140.856 101.071
   98    H    ARG  26           H        ARG  26 111.162 140.916 104.340
   99    HA   ARG  26           HA       ARG  26 114.056 141.041 104.443
  100   1HB   ARG  26          1HB       ARG  26 112.050 141.757 106.630
  101   2HB   ARG  26          2HB       ARG  26 113.695 142.358 106.432
  102   1HG   ARG  26          1HG       ARG  26 113.066 143.477 104.365
  103   2HG   ARG  26          2HG       ARG  26 111.398 142.911 104.470
  104   1HD   ARG  26          2HD       ARG  26 112.723 144.657 106.568
  105   2HD   ARG  26          1HD       ARG  26 111.611 145.223 105.301
  106    HE   ARG  26           HE       ARG  26 110.312 143.113 106.618
  107   1HH1  ARG  26          2HH2      ARG  26 111.464 146.368 107.435
  108   2HH1  ARG  26          1HH2      ARG  26 110.279 146.611 108.693
  109   1HH2  ARG  26          2HH1      ARG  26 108.771 143.433 108.262
  110   2HH2  ARG  26          1HH1      ARG  26 108.730 144.926 109.164
  111    H    ASN  27           H        ASN  27 111.482 139.642 106.343
  112    HA   ASN  27           HA       ASN  27 113.085 138.191 108.243
  113   1HB   ASN  27          1HB       ASN  27 110.203 137.767 107.419
  114   2HB   ASN  27          2HB       ASN  27 110.949 137.179 108.911
  115   1HD2  ASN  27          2HD2      ASN  27 108.711 138.469 109.362
  116   2HD2  ASN  27          1HD2      ASN  27 108.966 140.113 109.901
  117    H    CYS  28           H        CYS  28 111.502 137.400 105.186
  118    HA   CYS  28           HA       CYS  28 111.474 134.607 105.370
  119   1HB   CYS  28          1HB       CYS  28 110.391 136.173 103.519
  120   2HB   CYS  28          2HB       CYS  28 111.876 136.028 102.752
  121    H    ARG  29           H        ARG  29 113.027 133.167 105.461
  122    HA   ARG  29           HA       ARG  29 115.563 133.588 103.927
  123   1HB   ARG  29          1HB       ARG  29 115.098 132.272 106.629
  124   2HB   ARG  29          2HB       ARG  29 116.569 132.024 105.649
  125   1HG   ARG  29          2HG       ARG  29 116.961 134.391 105.490
  126   2HG   ARG  29          1HG       ARG  29 115.475 134.780 106.340
  127   1HD   ARG  29          2HD       ARG  29 116.261 133.821 108.431
  128   2HD   ARG  29          1HD       ARG  29 117.719 133.207 107.637
  129    HE   ARG  29           HE       ARG  29 118.719 135.194 107.964
  130   1HH1  ARG  29          1HH2      ARG  29 115.204 135.914 107.971
  131   2HH1  ARG  29          2HH2      ARG  29 115.468 137.616 108.210
  132   1HH2  ARG  29          1HH1      ARG  29 118.983 137.413 108.324
  133   2HH2  ARG  29          2HH1      ARG  29 117.595 138.462 108.452
  134    H    ALA  30           H        ALA  30 113.629 133.065 102.586
  135    HA   ALA  30           HA       ALA  30 113.924 130.180 101.786
  136   1HB   ALA  30          1HB       ALA  30 111.650 132.085 100.971
  137   2HB   ALA  30          2HB       ALA  30 111.483 130.951 102.323
  138   3HB   ALA  30          3HB       ALA  30 111.712 130.357 100.667
  139    HA   PRO  31           HA       PRO  31 116.269 134.112  99.619
  140   1HB   PRO  31          1HB       PRO  31 116.404 131.562  98.038
  141   2HB   PRO  31          2HB       PRO  31 117.568 132.923  98.016
  142   1HG   PRO  31          1HG       PRO  31 117.862 130.834  99.809
  143   2HG   PRO  31          2HG       PRO  31 118.297 132.512 100.230
  144   1HD   PRO  31          2HD       PRO  31 116.167 130.910 101.365
  145   2HD   PRO  31          1HD       PRO  31 116.635 132.535 101.840
  146    H    ARG  32           H        ARG  32 116.062 135.007  97.236
  147    HA   ARG  32           HA       ARG  32 113.273 135.626  97.237
  148   1HB   ARG  32          2HB       ARG  32 115.582 136.551  95.512
  149   2HB   ARG  32          1HB       ARG  32 113.957 137.211  95.456
  150   1HG   ARG  32          1HG       ARG  32 115.321 138.578  96.800
  151   2HG   ARG  32          2HG       ARG  32 114.022 137.892  97.785
  152   1HD   ARG  32          1HD       ARG  32 115.808 136.398  98.833
  153   2HD   ARG  32          2HD       ARG  32 116.994 137.188  97.789
  154    HE   ARG  32           HE       ARG  32 116.928 139.048  99.161
  155   1HH1  ARG  32          1HH2      ARG  32 114.202 136.900 100.012
  156   2HH1  ARG  32          2HH2      ARG  32 113.847 137.771 101.490
  157   1HH2  ARG  32          1HH1      ARG  32 116.376 140.166 101.122
  158   2HH2  ARG  32          2HH1      ARG  32 115.033 139.594 102.088
  159    H    LYS  33           H        LYS  33 112.120 135.900  95.155
  160    HA   LYS  33           HA       LYS  33 111.725 133.209  94.121
  161   1HB   LYS  33          2HB       LYS  33 109.498 133.920  93.817
  162   2HB   LYS  33          1HB       LYS  33 110.036 134.800  95.232
  163   1HG   LYS  33          1HG       LYS  33 110.599 136.770  93.762
  164   2HG   LYS  33          2HG       LYS  33 109.925 135.898  92.387
  165   1HD   LYS  33          2HD       LYS  33 108.436 136.895  94.817
  166   2HD   LYS  33          1HD       LYS  33 108.361 137.446  93.143
  167   1HE   LYS  33          2HE       LYS  33 107.438 135.239  92.447
  168   2HE   LYS  33          1HE       LYS  33 107.314 134.788  94.160
  169   1HZ   LYS  33          1HZ       LYS  33 106.043 137.132  92.917
  170   2HZ   LYS  33          2HZ       LYS  33 105.278 135.716  93.289
  171   3HZ   LYS  33          3HZ       LYS  33 105.893 136.664  94.491
  172    H    LYS  34           H        LYS  34 110.800 133.014  91.917
  173    HA   LYS  34           HA       LYS  34 112.615 134.082  89.908
  174   1HB   LYS  34          2HB       LYS  34 110.404 132.012  89.721
  175   2HB   LYS  34          1HB       LYS  34 111.646 132.296  88.497
  176   1HG   LYS  34          1HG       LYS  34 112.220 131.321  91.351
  177   2HG   LYS  34          2HG       LYS  34 111.954 130.295  89.954
  178   1HD   LYS  34          1HD       LYS  34 113.920 131.355  88.805
  179   2HD   LYS  34          2HD       LYS  34 114.158 132.401  90.213
  180   1HE   LYS  34          2HE       LYS  34 115.737 130.581  90.326
  181   2HE   LYS  34          1HE       LYS  34 114.565 130.415  91.644
  182   1HZ   LYS  34          1HZ       LYS  34 115.015 128.343  90.544
  183   2HZ   LYS  34          2HZ       LYS  34 113.436 128.759  90.338
  184   3HZ   LYS  34          3HZ       LYS  34 114.506 128.943  89.097
  185    H    GLY  35           H        GLY  35 109.396 133.977  90.597
  186   1HA   GLY  35          1HA       GLY  35 108.136 135.352  88.383
  187   2HA   GLY  35          2HA       GLY  35 107.447 135.172  89.990
  188    H    CYS  36           H        CYS  36 106.738 137.385  88.996
  189    HA   CYS  36           HA       CYS  36 108.483 139.616  89.334
  190   1HB   CYS  36          2HB       CYS  36 105.972 139.617  88.323
  191   2HB   CYS  36          1HB       CYS  36 105.550 139.983  89.865
  192    H    TRP  37           H        TRP  37 109.320 140.385  91.107
  193    HA   TRP  37           HA       TRP  37 108.737 139.461  93.763
  194   1HB   TRP  37          1HB       TRP  37 110.905 140.306  92.632
  195   2HB   TRP  37          2HB       TRP  37 110.319 141.927  93.019
  196    HD1  TRP  37           HD1      TRP  37 111.832 138.792  94.347
  197    HE1  TRP  37           HE1      TRP  37 112.506 139.059  96.859
  198    HE3  TRP  37           HE3      TRP  37 109.700 143.333  95.292
  199    HZ2  TRP  37           HZ2      TRP  37 112.126 140.968  98.925
  200    HZ3  TRP  37           HZ3      TRP  37 109.869 144.364  97.543
  201    HH2  TRP  37           HH2      TRP  37 111.090 143.200  99.366
  202    H    LYS  38           H        LYS  38 107.545 142.103  91.767
  203    HA   LYS  38           HA       LYS  38 106.560 143.579  94.129
  204   1HB   LYS  38          1HB       LYS  38 108.167 144.460  92.250
  205   2HB   LYS  38          2HB       LYS  38 106.746 144.484  91.251
  206   1HG   LYS  38          1HG       LYS  38 106.736 146.584  91.964
  207   2HG   LYS  38          2HG       LYS  38 105.626 145.919  93.145
  208   1HD   LYS  38          2HD       LYS  38 108.613 146.523  93.525
  209   2HD   LYS  38          1HD       LYS  38 107.295 147.579  94.022
  210   1HE   LYS  38          2HE       LYS  38 107.981 144.867  95.212
  211   2HE   LYS  38          1HE       LYS  38 108.169 146.450  95.961
  212   1HZ   LYS  38          1HZ       LYS  38 106.224 145.352  96.744
  213   2HZ   LYS  38          2HZ       LYS  38 105.794 146.706  95.908
  214   3HZ   LYS  38          3HZ       LYS  38 105.607 145.217  95.224
  215    H    CYS  39           H        CYS  39 105.529 142.399  90.860
  216    HA   CYS  39           HA       CYS  39 102.861 143.564  91.446
  217   1HB   CYS  39          1HB       CYS  39 102.658 144.057  89.348
  218   2HB   CYS  39          2HB       CYS  39 104.372 143.803  89.244
  219    H    GLY  40           H        GLY  40 104.437 140.478  91.444
  220   1HA   GLY  40          1HA       GLY  40 103.503 138.796  92.777
  221   2HA   GLY  40          2HA       GLY  40 101.866 139.341  92.421
  222    H    LYS  41           H        LYS  41 102.625 139.470  89.438
  223    HA   LYS  41           HA       LYS  41 101.798 136.796  88.724
  224   1HB   LYS  41          1HB       LYS  41 102.945 139.103  87.128
  225   2HB   LYS  41          2HB       LYS  41 102.394 137.603  86.375
  226   1HG   LYS  41          2HG       LYS  41 100.157 137.886  87.137
  227   2HG   LYS  41          1HG       LYS  41 100.601 139.271  88.147
  228   1HD   LYS  41          1HD       LYS  41 101.249 140.536  86.088
  229   2HD   LYS  41          2HD       LYS  41 100.726 139.168  85.091
  230   1HE   LYS  41          2HE       LYS  41  98.958 140.799  86.983
  231   2HE   LYS  41          1HE       LYS  41  99.032 140.988  85.224
  232   1HZ   LYS  41          1HZ       LYS  41  98.248 138.738  85.006
  233   2HZ   LYS  41          2HZ       LYS  41  97.185 139.660  85.862
  234   3HZ   LYS  41          3HZ       LYS  41  98.145 138.576  86.644
  235    H    GLU  42           H        GLU  42 103.068 135.564  87.140
  236    HA   GLU  42           HA       GLU  42 106.001 135.513  87.683
  237   1HB   GLU  42          1HB       GLU  42 105.962 133.114  88.115
  238   2HB   GLU  42          2HB       GLU  42 104.972 134.000  89.284
  239   1HG   GLU  42          1HG       GLU  42 102.943 133.437  87.954
  240   2HG   GLU  42          2HG       GLU  42 103.936 132.472  86.851
  241    H    GLY  43           H        GLY  43 103.684 135.596  85.276
  242   1HA   GLY  43          1HA       GLY  43 105.193 134.076  83.268
  243   2HA   GLY  43          2HA       GLY  43 103.812 135.154  83.018
  244    H    HIS  44           H        HIS  44 106.998 135.485  84.480
  245    HA   HIS  44           HA       HIS  44 108.676 136.867  83.048
  246   1HB   HIS  44          2HB       HIS  44 108.358 139.264  83.431
  247   2HB   HIS  44          1HB       HIS  44 107.191 138.628  82.343
  248    HD1  HIS  44           HD1      HIS  44 104.645 138.794  83.231
  249    HD2  HIS  44           HD2      HIS  44 107.409 140.143  86.047
  250    HE1  HIS  44           HE1      HIS  44 103.451 140.150  85.013
  251    H    GLN  45           H        GLN  45 110.160 138.240  84.363
  252    HA   GLN  45           HA       GLN  45 110.057 137.441  87.248
  253   1HB   GLN  45          2HB       GLN  45 112.443 137.499  87.315
  254   2HB   GLN  45          1HB       GLN  45 111.983 136.587  85.894
  255   1HG   GLN  45          2HG       GLN  45 112.120 138.900  84.710
  256   2HG   GLN  45          1HG       GLN  45 113.129 139.332  86.030
  257   1HE2  GLN  45          2HE2      GLN  45 113.719 138.791  83.046
  258   2HE2  GLN  45          1HE2      GLN  45 115.079 137.689  83.104
  259    H    MET  46           H        MET  46 111.727 139.067  88.321
  260    HA   MET  46           HA       MET  46 110.017 141.360  88.814
  261   1HB   MET  46          2HB       MET  46 111.459 141.655  90.772
  262   2HB   MET  46          1HB       MET  46 111.276 139.929  90.490
  263   1HG   MET  46          2HG       MET  46 113.469 139.879  89.324
  264   2HG   MET  46          1HG       MET  46 113.708 141.584  89.735
  265   1HE   MET  46          1HE       MET  46 112.836 142.016  92.653
  266   2HE   MET  46          2HE       MET  46 114.441 142.473  92.041
  267   3HE   MET  46          3HE       MET  46 114.293 141.545  93.550
  268    H    LYS  47           H        LYS  47 113.133 140.800  87.289
  269    HA   LYS  47           HA       LYS  47 113.866 143.491  86.760
  270   1HB   LYS  47          1HB       LYS  47 114.512 141.130  84.947
  271   2HB   LYS  47          2HB       LYS  47 115.438 142.610  85.222
  272   1HG   LYS  47          1HG       LYS  47 115.605 141.745  87.693
  273   2HG   LYS  47          2HG       LYS  47 115.114 140.187  87.036
  274   1HD   LYS  47          2HD       LYS  47 117.527 141.803  86.106
  275   2HD   LYS  47          1HD       LYS  47 117.571 140.416  87.207
  276   1HE   LYS  47          2HE       LYS  47 116.628 138.959  85.433
  277   2HE   LYS  47          1HE       LYS  47 116.606 140.331  84.306
  278   1HZ   LYS  47          1HZ       LYS  47 118.973 140.468  84.521
  279   2HZ   LYS  47          2HZ       LYS  47 118.996 139.188  85.562
  280   3HZ   LYS  47          3HZ       LYS  47 118.516 138.973  84.001
  281    H    ASP  48           H        ASP  48 112.327 141.074  84.694
  282    HA   ASP  48           HA       ASP  48 111.807 142.462  82.370
  283   1HB   ASP  48          1HB       ASP  48 110.192 140.370  83.861
  284   2HB   ASP  48          2HB       ASP  48 109.773 140.869  82.230
  285    H    CYS  49           H        CYS  49 109.733 142.325  85.315
  286    HA   CYS  49           HA       CYS  49 107.464 143.260  84.143
  287   1HB   CYS  49          2HB       CYS  49 107.642 142.274  86.329
  288   2HB   CYS  49          1HB       CYS  49 108.171 143.774  87.019
  289    H    THR  50           H        THR  50 106.635 145.249  83.667
  290    HA   THR  50           HA       THR  50 108.169 147.758  84.028
  291    HB   THR  50           HB       THR  50 106.293 148.722  82.704
  292    HG1  THR  50           HG1      THR  50 104.700 147.243  83.356
  293   1HG2  THR  50          1HG2      THR  50 107.514 146.231  81.428
  294   2HG2  THR  50          2HG2      THR  50 106.824 147.629  80.582
  295   3HG2  THR  50          3HG2      THR  50 108.297 147.822  81.552
  296    H    GLU  51           H        GLU  51 107.909 147.007  86.444
  297    HA   GLU  51           HA       GLU  51 105.367 147.848  87.650
  298   1HB   GLU  51          2HB       GLU  51 106.274 146.824  89.650
  299   2HB   GLU  51          1HB       GLU  51 106.141 145.743  88.307
  300   1HG   GLU  51          1HG       GLU  51 108.141 145.174  89.438
  301   2HG   GLU  51          2HG       GLU  51 108.615 145.872  87.904
  302    H    ARG  52           H        ARG  52 108.712 148.939  87.301
  303    HA   ARG  52           HA       ARG  52 108.566 150.951  89.361
  304   1HB   ARG  52          1HB       ARG  52 110.795 151.507  88.575
  305   2HB   ARG  52          2HB       ARG  52 110.586 149.782  88.805
  306   1HG   ARG  52          2HG       ARG  52 110.068 149.845  86.140
  307   2HG   ARG  52          1HG       ARG  52 110.953 151.367  86.246
  308   1HD   ARG  52          1HD       ARG  52 112.508 149.642  85.678
  309   2HD   ARG  52          2HD       ARG  52 112.842 150.137  87.339
  310    HE   ARG  52           HE       ARG  52 111.609 148.175  88.148
  311   1HH1  ARG  52          1HH2      ARG  52 112.611 147.904  84.710
  312   2HH1  ARG  52          2HH2      ARG  52 112.365 146.171  84.730
  313   1HH2  ARG  52          2HH1      ARG  52 111.243 146.042  88.053
  314   2HH2  ARG  52          1HH1      ARG  52 111.629 145.092  86.630
  315    H    GLN  53           H        GLN  53 106.320 151.472  87.916
  316    HA   GLN  53           HA       GLN  53 106.774 153.334  85.759
  317   1HB   GLN  53          2HB       GLN  53 104.245 152.584  87.215
  318   2HB   GLN  53          1HB       GLN  53 104.409 153.388  85.644
  319   1HG   GLN  53          1HG       GLN  53 105.218 150.537  86.373
  320   2HG   GLN  53          2HG       GLN  53 103.983 151.088  85.262
  321   1HE2  GLN  53          2HE2      GLN  53 104.737 152.392  83.315
  322   2HE2  GLN  53          1HE2      GLN  53 106.249 151.901  82.577
  Start of MODEL    4
    1   1H    ASN  12          1H        ASN  12  96.922 142.074 108.233
    2   2H    ASN  12          2H        ASN  12  97.564 141.177 109.456
    3   3H    ASN  12          3H        ASN  12  95.986 140.970 109.025
    4    HA   ASN  12           HA       ASN  12  97.259 139.179 108.168
    5   1HB   ASN  12          1HB       ASN  12  95.338 139.658 107.003
    6   2HB   ASN  12          2HB       ASN  12  96.212 140.977 106.236
    7   1HD2  ASN  12          1HD2      ASN  12  96.557 137.407 106.708
    8   2HD2  ASN  12          2HD2      ASN  12  97.108 137.064 105.088
    9    H    VAL  13           H        VAL  13  99.494 138.994 108.441
   10    HA   VAL  13           HA       VAL  13 101.338 140.876 107.128
   11    HB   VAL  13           HB       VAL  13 102.058 138.302 108.568
   12   1HG1  VAL  13          1HG1      VAL  13 103.914 139.411 107.395
   13   2HG1  VAL  13          2HG1      VAL  13 104.143 139.451 109.134
   14   3HG1  VAL  13          3HG1      VAL  13 103.599 140.909 108.284
   15   1HG2  VAL  13          1HG2      VAL  13 101.463 140.911 109.919
   16   2HG2  VAL  13          2HG2      VAL  13 102.315 139.515 110.646
   17   3HG2  VAL  13          3HG2      VAL  13 100.632 139.339 110.139
   18    H    LYS  14           H        LYS  14 102.588 140.336 105.334
   19    HA   LYS  14           HA       LYS  14 103.318 137.688 104.877
   20   1HB   LYS  14          1HB       LYS  14 102.403 137.035 102.869
   21   2HB   LYS  14          2HB       LYS  14 101.050 137.731 103.581
   22   1HG   LYS  14          1HG       LYS  14 102.761 139.151 101.588
   23   2HG   LYS  14          2HG       LYS  14 101.151 138.494 101.353
   24   1HD   LYS  14          2HD       LYS  14 101.753 140.840 103.191
   25   2HD   LYS  14          1HD       LYS  14 101.059 140.925 101.570
   26   1HE   LYS  14          1HE       LYS  14  99.135 139.524 102.293
   27   2HE   LYS  14          2HE       LYS  14  99.778 139.481 103.943
   28   1HZ   LYS  14          1HZ       LYS  14  99.525 141.804 104.096
   29   2HZ   LYS  14          2HZ       LYS  14  98.105 141.088 103.680
   30   3HZ   LYS  14          3HZ       LYS  14  98.970 141.914 102.537
   31    H    CYS  15           H        CYS  15 104.546 137.418 103.056
   32    HA   CYS  15           HA       CYS  15 106.735 139.367 103.210
   33   1HB   CYS  15          1HB       CYS  15 106.882 137.006 104.062
   34   2HB   CYS  15          2HB       CYS  15 106.459 136.395 102.541
   35    H    PHE  16           H        PHE  16 107.572 140.381 101.475
   36    HA   PHE  16           HA       PHE  16 106.177 140.339  98.919
   37   1HB   PHE  16          1HB       PHE  16 108.837 141.586  99.683
   38   2HB   PHE  16          2HB       PHE  16 107.862 141.947  98.272
   39    HD1  PHE  16           HD1      PHE  16 108.457 142.691 101.784
   40    HD2  PHE  16           HD2      PHE  16 105.466 142.882  98.684
   41    HE1  PHE  16           HE1      PHE  16 107.215 144.391 103.085
   42    HE2  PHE  16           HE2      PHE  16 104.231 144.596  99.989
   43    HZ   PHE  16           HZ       PHE  16 105.103 145.348 102.193
   44    H    ASN  17           H        ASN  17 109.229 139.299 100.196
   45    HA   ASN  17           HA       ASN  17 110.599 138.258  98.024
   46   1HB   ASN  17          2HB       ASN  17 111.550 138.792 100.258
   47   2HB   ASN  17          1HB       ASN  17 110.581 137.572 100.965
   48   1HD2  ASN  17          2HD2      ASN  17 110.819 135.326 100.173
   49   2HD2  ASN  17          1HD2      ASN  17 112.470 134.808 100.311
   50    H    CYS  18           H        CYS  18 108.280 136.510 100.143
   51    HA   CYS  18           HA       CYS  18 108.085 134.323  98.124
   52   1HB   CYS  18          1HB       CYS  18 108.364 132.635  99.577
   53   2HB   CYS  18          2HB       CYS  18 109.724 133.701  99.861
   54    H    GLY  19           H        GLY  19 106.338 136.465 100.236
   55   1HA   GLY  19          1HA       GLY  19 104.508 136.254 101.562
   56   2HA   GLY  19          2HA       GLY  19 103.722 136.223 100.035
   57    H    LYS  20           H        LYS  20 105.214 134.195 102.524
   58    HA   LYS  20           HA       LYS  20 103.105 132.138 102.192
   59   1HB   LYS  20          2HB       LYS  20 105.588 132.425 103.936
   60   2HB   LYS  20          1HB       LYS  20 104.459 131.098 103.954
   61   1HG   LYS  20          1HG       LYS  20 104.975 130.707 101.560
   62   2HG   LYS  20          2HG       LYS  20 106.136 131.975 101.542
   63   1HD   LYS  20          2HD       LYS  20 107.327 129.872 101.698
   64   2HD   LYS  20          1HD       LYS  20 107.537 130.743 103.228
   65   1HE   LYS  20          2HE       LYS  20 105.844 129.327 104.313
   66   2HE   LYS  20          1HE       LYS  20 105.452 128.558 102.762
   67   1HZ   LYS  20          1HZ       LYS  20 106.875 127.211 104.096
   68   2HZ   LYS  20          2HZ       LYS  20 107.662 127.665 102.723
   69   3HZ   LYS  20          3HZ       LYS  20 108.028 128.385 104.160
   70    H    GLU  21           H        GLU  21 102.938 134.626 103.299
   71    HA   GLU  21           HA       GLU  21 102.144 136.045 104.915
   72   1HB   GLU  21          1HB       GLU  21 100.556 133.621 105.498
   73   2HB   GLU  21          2HB       GLU  21 100.176 135.164 106.275
   74   1HG   GLU  21          1HG       GLU  21  99.820 136.176 104.095
   75   2HG   GLU  21          2HG       GLU  21 100.322 134.709 103.281
   76    H    GLY  22           H        GLY  22 101.820 136.427 107.274
   77   1HA   GLY  22          1HA       GLY  22 102.315 136.296 109.525
   78   2HA   GLY  22          2HA       GLY  22 102.778 134.621 109.298
   79    H    HIS  23           H        HIS  23 104.410 136.810 107.224
   80    HA   HIS  23           HA       HIS  23 106.358 137.813 109.008
   81   1HB   HIS  23          2HB       HIS  23 108.332 136.670 108.471
   82   2HB   HIS  23          1HB       HIS  23 107.283 135.458 109.030
   83    HD1  HIS  23           HD1      HIS  23 106.147 133.883 106.938
   84    HD2  HIS  23           HD2      HIS  23 109.468 136.244 106.139
   85    HE1  HIS  23           HE1      HIS  23 107.291 132.990 104.849
   86    H    THR  24           H        THR  24 108.260 138.706 107.805
   87    HA   THR  24           HA       THR  24 107.273 139.987 105.288
   88    HB   THR  24           HB       THR  24 108.605 141.946 106.006
   89    HG1  THR  24           HG1      THR  24 109.614 141.798 108.109
   90   1HG2  THR  24          1HG2      THR  24 106.993 140.956 108.387
   91   2HG2  THR  24          2HG2      THR  24 107.413 142.632 107.978
   92   3HG2  THR  24          3HG2      THR  24 106.307 141.716 106.927
   93    H    ALA  25           H        ALA  25 109.034 140.963 103.963
   94    HA   ALA  25           HA       ALA  25 110.993 139.050 103.105
   95   1HB   ALA  25          1HB       ALA  25 109.988 140.727 101.615
   96   2HB   ALA  25          2HB       ALA  25 111.755 140.874 101.639
   97   3HB   ALA  25          3HB       ALA  25 110.760 142.033 102.546
   98    H    ARG  26           H        ARG  26 111.025 141.095 105.897
   99    HA   ARG  26           HA       ARG  26 113.961 141.398 105.943
  100   1HB   ARG  26          2HB       ARG  26 111.950 141.839 108.171
  101   2HB   ARG  26          1HB       ARG  26 113.572 142.508 108.028
  102   1HG   ARG  26          1HG       ARG  26 111.188 143.229 106.226
  103   2HG   ARG  26          2HG       ARG  26 111.736 144.107 107.632
  104   1HD   ARG  26          2HD       ARG  26 112.616 145.230 105.690
  105   2HD   ARG  26          1HD       ARG  26 113.970 144.444 106.528
  106    HE   ARG  26           HE       ARG  26 112.684 142.861 104.421
  107   1HH1  ARG  26          2HH2      ARG  26 115.226 145.274 104.951
  108   2HH1  ARG  26          1HH2      ARG  26 116.275 144.610 103.725
  109   1HH2  ARG  26          1HH1      ARG  26 114.115 141.908 102.952
  110   2HH2  ARG  26          2HH1      ARG  26 115.596 142.723 102.516
  111    H    ASN  27           H        ASN  27 111.382 139.591 107.562
  112    HA   ASN  27           HA       ASN  27 113.119 138.078 109.295
  113   1HB   ASN  27          1HB       ASN  27 110.267 137.608 108.400
  114   2HB   ASN  27          2HB       ASN  27 111.030 136.844 109.807
  115   1HD2  ASN  27          2HD2      ASN  27 108.645 138.143 110.177
  116   2HD2  ASN  27          1HD2      ASN  27 108.897 139.659 111.016
  117    H    CYS  28           H        CYS  28 111.646 137.534 106.152
  118    HA   CYS  28           HA       CYS  28 111.503 134.829 105.880
  119   1HB   CYS  28          2HB       CYS  28 110.706 136.575 104.201
  120   2HB   CYS  28          1HB       CYS  28 112.319 136.825 103.788
  121    H    ARG  29           H        ARG  29 112.688 133.167 105.574
  122    HA   ARG  29           HA       ARG  29 115.347 133.322 104.284
  123   1HB   ARG  29          2HB       ARG  29 114.721 131.867 106.892
  124   2HB   ARG  29          1HB       ARG  29 116.118 131.475 105.854
  125   1HG   ARG  29          2HG       ARG  29 116.866 133.786 105.893
  126   2HG   ARG  29          1HG       ARG  29 115.487 134.252 106.886
  127   1HD   ARG  29          2HD       ARG  29 116.266 132.874 108.765
  128   2HD   ARG  29          1HD       ARG  29 117.593 132.248 107.776
  129    HE   ARG  29           HE       ARG  29 118.828 134.078 108.254
  130   1HH1  ARG  29          2HH2      ARG  29 115.422 135.024 108.798
  131   2HH1  ARG  29          1HH2      ARG  29 115.852 136.580 109.441
  132   1HH2  ARG  29          1HH1      ARG  29 119.336 136.133 109.082
  133   2HH2  ARG  29          2HH1      ARG  29 118.070 137.217 109.597
  134    H    ALA  30           H        ALA  30 113.407 133.150 102.947
  135    HA   ALA  30           HA       ALA  30 113.114 130.291 102.032
  136   1HB   ALA  30          1HB       ALA  30 110.792 130.637 101.422
  137   2HB   ALA  30          2HB       ALA  30 110.937 131.267 103.075
  138   3HB   ALA  30          3HB       ALA  30 110.910 132.367 101.682
  139    HA   PRO  31           HA       PRO  31 115.374 133.967  99.425
  140   1HB   PRO  31          1HB       PRO  31 115.178 131.301  98.012
  141   2HB   PRO  31          2HB       PRO  31 116.360 132.614  97.679
  142   1HG   PRO  31          1HG       PRO  31 116.926 130.701  99.551
  143   2HG   PRO  31          2HG       PRO  31 117.348 132.411  99.838
  144   1HD   PRO  31          1HD       PRO  31 115.337 130.792 101.208
  145   2HD   PRO  31          2HD       PRO  31 115.940 132.396 101.663
  146    H    ARG  32           H        ARG  32 115.130 134.620  96.984
  147    HA   ARG  32           HA       ARG  32 112.499 135.757  97.063
  148   1HB   ARG  32          1HB       ARG  32 114.764 135.995  95.032
  149   2HB   ARG  32          2HB       ARG  32 113.361 137.045  95.142
  150   1HG   ARG  32          1HG       ARG  32 115.198 138.116  96.012
  151   2HG   ARG  32          2HG       ARG  32 114.090 137.863  97.360
  152   1HD   ARG  32          2HD       ARG  32 115.637 136.243  98.334
  153   2HD   ARG  32          1HD       ARG  32 116.511 136.088  96.796
  154    HE   ARG  32           HE       ARG  32 117.778 137.877  97.270
  155   1HH1  ARG  32          2HH2      ARG  32 115.010 137.974  99.506
  156   2HH1  ARG  32          1HH2      ARG  32 115.677 139.275 100.455
  157   1HH2  ARG  32          2HH1      ARG  32 118.623 139.577  98.524
  158   2HH2  ARG  32          1HH1      ARG  32 117.734 140.191  99.892
  159    H    LYS  33           H        LYS  33 111.256 136.035  95.117
  160    HA   LYS  33           HA       LYS  33 110.625 133.396  93.968
  161   1HB   LYS  33          1HB       LYS  33 108.409 134.281  93.617
  162   2HB   LYS  33          2HB       LYS  33 108.941 134.470  95.286
  163   1HG   LYS  33          1HG       LYS  33 109.453 136.915  94.731
  164   2HG   LYS  33          2HG       LYS  33 108.677 136.631  93.157
  165   1HD   LYS  33          1HD       LYS  33 106.624 135.819  94.420
  166   2HD   LYS  33          2HD       LYS  33 107.446 136.262  95.931
  167   1HE   LYS  33          2HE       LYS  33 107.644 138.617  95.030
  168   2HE   LYS  33          1HE       LYS  33 106.615 138.120  93.665
  169   1HZ   LYS  33          1HZ       LYS  33 104.936 137.552  95.332
  170   2HZ   LYS  33          2HZ       LYS  33 105.939 138.137  96.516
  171   3HZ   LYS  33          3HZ       LYS  33 105.349 139.151  95.362
  172    H    LYS  34           H        LYS  34 109.641 133.366  91.819
  173    HA   LYS  34           HA       LYS  34 111.644 134.359  89.972
  174   1HB   LYS  34          1HB       LYS  34 110.854 132.644  88.485
  175   2HB   LYS  34          2HB       LYS  34 111.041 132.018  90.130
  176   1HG   LYS  34          2HG       LYS  34 109.125 130.987  89.619
  177   2HG   LYS  34          1HG       LYS  34 108.423 132.456  90.280
  178   1HD   LYS  34          1HD       LYS  34 108.246 133.311  87.858
  179   2HD   LYS  34          2HD       LYS  34 108.880 131.744  87.333
  180   1HE   LYS  34          1HE       LYS  34 106.962 130.593  88.401
  181   2HE   LYS  34          2HE       LYS  34 106.360 132.144  89.004
  182   1HZ   LYS  34          1HZ       LYS  34 106.543 131.300  86.198
  183   2HZ   LYS  34          2HZ       LYS  34 105.186 131.565  87.110
  184   3HZ   LYS  34          3HZ       LYS  34 106.145 132.831  86.670
  185    H    GLY  35           H        GLY  35 108.413 134.463  90.335
  186   1HA   GLY  35          1HA       GLY  35 107.455 135.991  88.087
  187   2HA   GLY  35          2HA       GLY  35 106.625 135.900  89.646
  188    H    CYS  36           H        CYS  36 106.263 138.175  88.585
  189    HA   CYS  36           HA       CYS  36 108.184 140.219  89.012
  190   1HB   CYS  36          1HB       CYS  36 105.775 140.539  87.943
  191   2HB   CYS  36          2HB       CYS  36 105.226 140.721  89.428
  192    H    TRP  37           H        TRP  37 109.120 140.796  90.845
  193    HA   TRP  37           HA       TRP  37 108.503 139.657  93.330
  194   1HB   TRP  37          1HB       TRP  37 110.668 140.675  92.352
  195   2HB   TRP  37          2HB       TRP  37 110.107 142.201  93.023
  196    HD1  TRP  37           HD1      TRP  37 111.439 138.777  93.784
  197    HE1  TRP  37           HE1      TRP  37 112.290 138.635  96.249
  198    HE3  TRP  37           HE3      TRP  37 109.635 143.228  95.554
  199    HZ2  TRP  37           HZ2      TRP  37 112.201 140.253  98.601
  200    HZ3  TRP  37           HZ3      TRP  37 110.080 143.924  97.883
  201    HH2  TRP  37           HH2      TRP  37 111.376 142.456  99.410
  202    H    LYS  38           H        LYS  38 107.331 142.507  91.708
  203    HA   LYS  38           HA       LYS  38 106.315 143.781  94.173
  204   1HB   LYS  38          2HB       LYS  38 107.970 144.840  92.606
  205   2HB   LYS  38          1HB       LYS  38 106.761 144.883  91.346
  206   1HG   LYS  38          2HG       LYS  38 106.333 146.135  94.081
  207   2HG   LYS  38          1HG       LYS  38 107.179 146.931  92.740
  208   1HD   LYS  38          1HD       LYS  38 105.180 146.958  91.363
  209   2HD   LYS  38          2HD       LYS  38 104.276 146.026  92.560
  210   1HE   LYS  38          1HE       LYS  38 103.637 148.326  92.738
  211   2HE   LYS  38          2HE       LYS  38 104.468 147.810  94.215
  212   1HZ   LYS  38          1HZ       LYS  38 105.182 149.966  93.461
  213   2HZ   LYS  38          2HZ       LYS  38 106.439 148.905  93.402
  214   3HZ   LYS  38          3HZ       LYS  38 105.679 149.352  92.015
  215    H    CYS  39           H        CYS  39 105.408 143.240  90.706
  216    HA   CYS  39           HA       CYS  39 102.770 144.346  91.331
  217   1HB   CYS  39          2HB       CYS  39 102.796 145.091  89.275
  218   2HB   CYS  39          1HB       CYS  39 104.430 144.543  89.170
  219    H    GLY  40           H        GLY  40 104.138 141.161  91.051
  220   1HA   GLY  40          1HA       GLY  40 103.095 139.423  92.188
  221   2HA   GLY  40          2HA       GLY  40 101.506 140.147  91.973
  222    H    LYS  41           H        LYS  41 102.353 140.407  88.892
  223    HA   LYS  41           HA       LYS  41 101.298 137.789  88.127
  224   1HB   LYS  41          1HB       LYS  41 100.766 139.701  86.812
  225   2HB   LYS  41          2HB       LYS  41 102.477 140.037  86.498
  226   1HG   LYS  41          2HG       LYS  41 102.664 138.152  85.068
  227   2HG   LYS  41          1HG       LYS  41 101.142 137.453  85.668
  228   1HD   LYS  41          2HD       LYS  41 101.239 140.056  84.103
  229   2HD   LYS  41          1HD       LYS  41 101.115 138.463  83.338
  230   1HE   LYS  41          1HE       LYS  41  99.047 137.986  84.649
  231   2HE   LYS  41          2HE       LYS  41  99.108 139.624  85.327
  232   1HZ   LYS  41          1HZ       LYS  41  97.652 139.492  83.471
  233   2HZ   LYS  41          2HZ       LYS  41  98.855 138.958  82.483
  234   3HZ   LYS  41          3HZ       LYS  41  98.918 140.482  83.111
  235    H    GLU  42           H        GLU  42 102.498 136.470  86.750
  236    HA   GLU  42           HA       GLU  42 105.395 136.267  87.476
  237   1HB   GLU  42          1HB       GLU  42 105.196 134.035  88.246
  238   2HB   GLU  42          2HB       GLU  42 104.035 135.025  89.127
  239   1HG   GLU  42          2HG       GLU  42 102.208 134.244  87.739
  240   2HG   GLU  42          1HG       GLU  42 103.296 133.331  86.687
  241    H    GLY  43           H        GLY  43 103.220 136.099  84.927
  242   1HA   GLY  43          1HA       GLY  43 104.474 134.253  83.171
  243   2HA   GLY  43          2HA       GLY  43 103.630 135.743  82.702
  244    H    HIS  44           H        HIS  44 105.164 137.595  84.092
  245    HA   HIS  44           HA       HIS  44 107.861 137.520  82.811
  246   1HB   HIS  44          1HB       HIS  44 107.889 139.925  83.260
  247   2HB   HIS  44          2HB       HIS  44 106.626 139.452  82.171
  248    HD1  HIS  44           HD1      HIS  44 104.173 139.991  82.976
  249    HD2  HIS  44           HD2      HIS  44 106.965 140.869  85.986
  250    HE1  HIS  44           HE1      HIS  44 103.110 141.415  84.781
  251    H    GLN  45           H        GLN  45 109.542 138.583  84.108
  252    HA   GLN  45           HA       GLN  45 109.400 137.779  86.981
  253   1HB   GLN  45          1HB       GLN  45 111.773 137.606  86.972
  254   2HB   GLN  45          2HB       GLN  45 111.215 136.804  85.513
  255   1HG   GLN  45          2HG       GLN  45 111.542 139.210  84.461
  256   2HG   GLN  45          1HG       GLN  45 112.572 139.452  85.816
  257   1HE2  GLN  45          2HE2      GLN  45 112.207 137.839  82.750
  258   2HE2  GLN  45          1HE2      GLN  45 113.804 137.115  82.683
  259    H    MET  46           H        MET  46 111.244 139.279  88.030
  260    HA   MET  46           HA       MET  46 109.759 141.725  88.507
  261   1HB   MET  46          2HB       MET  46 111.277 141.913  90.441
  262   2HB   MET  46          1HB       MET  46 110.902 140.212  90.185
  263   1HG   MET  46          1HG       MET  46 113.047 139.927  88.954
  264   2HG   MET  46          2HG       MET  46 113.497 141.569  89.429
  265   1HE   MET  46          1HE       MET  46 112.715 141.999  92.351
  266   2HE   MET  46          2HE       MET  46 114.067 141.274  93.245
  267   3HE   MET  46          3HE       MET  46 114.382 142.226  91.777
  268    H    LYS  47           H        LYS  47 112.882 140.982  87.034
  269    HA   LYS  47           HA       LYS  47 113.756 143.571  86.405
  270   1HB   LYS  47          1HB       LYS  47 114.142 141.218  84.513
  271   2HB   LYS  47          2HB       LYS  47 115.228 142.559  84.872
  272   1HG   LYS  47          1HG       LYS  47 115.451 141.512  87.227
  273   2HG   LYS  47          2HG       LYS  47 114.607 140.107  86.574
  274   1HD   LYS  47          1HD       LYS  47 116.274 139.928  84.746
  275   2HD   LYS  47          2HD       LYS  47 117.203 141.247  85.489
  276   1HE   LYS  47          1HE       LYS  47 117.482 139.900  87.549
  277   2HE   LYS  47          2HE       LYS  47 116.500 138.598  86.846
  278   1HZ   LYS  47          1HZ       LYS  47 119.064 139.555  85.785
  279   2HZ   LYS  47          2HZ       LYS  47 118.824 138.161  86.630
  280   3HZ   LYS  47          3HZ       LYS  47 118.142 138.349  85.142
  281    H    ASP  48           H        ASP  48 111.886 141.288  84.480
  282    HA   ASP  48           HA       ASP  48 111.512 142.674  82.108
  283   1HB   ASP  48          2HB       ASP  48 109.860 140.669  83.649
  284   2HB   ASP  48          1HB       ASP  48 109.314 141.226  82.077
  285    H    CYS  49           H        CYS  49 109.487 142.819  85.075
  286    HA   CYS  49           HA       CYS  49 107.235 143.816  83.900
  287   1HB   CYS  49          1HB       CYS  49 107.372 142.923  86.098
  288   2HB   CYS  49          2HB       CYS  49 108.117 144.287  86.741
  289    H    THR  50           H        THR  50 106.394 145.777  83.476
  290    HA   THR  50           HA       THR  50 107.871 148.046  82.796
  291    HB   THR  50           HB       THR  50 104.911 147.897  83.489
  292    HG1  THR  50           HG1      THR  50 106.271 147.221  81.100
  293   1HG2  THR  50          1HG2      THR  50 106.448 149.633  81.502
  294   2HG2  THR  50          2HG2      THR  50 104.681 149.530  81.620
  295   3HG2  THR  50          3HG2      THR  50 105.612 150.199  82.965
  296    H    GLU  51           H        GLU  51 106.915 147.046  85.934
  297    HA   GLU  51           HA       GLU  51 106.683 149.545  87.322
  298   1HB   GLU  51          2HB       GLU  51 105.838 147.873  88.592
  299   2HB   GLU  51          1HB       GLU  51 106.909 146.641  87.986
  300   1HG   GLU  51          2HG       GLU  51 107.393 146.897  90.266
  301   2HG   GLU  51          1HG       GLU  51 108.765 147.531  89.376
  302    H    ARG  52           H        ARG  52 109.413 147.424  86.305
  303    HA   ARG  52           HA       ARG  52 111.381 149.427  87.183
  304   1HB   ARG  52          1HB       ARG  52 111.556 146.758  85.734
  305   2HB   ARG  52          2HB       ARG  52 112.948 147.747  86.142
  306   1HG   ARG  52          2HG       ARG  52 111.012 146.748  88.278
  307   2HG   ARG  52          1HG       ARG  52 112.292 145.756  87.620
  308   1HD   ARG  52          1HD       ARG  52 113.147 146.758  89.653
  309   2HD   ARG  52          2HD       ARG  52 113.998 147.457  88.278
  310    HE   ARG  52           HE       ARG  52 113.122 149.523  88.756
  311   1HH1  ARG  52          2HH2      ARG  52 111.286 147.100  90.621
  312   2HH1  ARG  52          1HH2      ARG  52 110.106 148.282  91.162
  313   1HH2  ARG  52          2HH1      ARG  52 111.532 151.028  89.553
  314   2HH2  ARG  52          1HH1      ARG  52 110.242 150.428  90.576
  315    H    GLN  53           H        GLN  53 110.304 147.890  84.157
  316    HA   GLN  53           HA       GLN  53 111.852 149.828  82.581
  317   1HB   GLN  53          1HB       GLN  53 110.351 147.279  81.855
  318   2HB   GLN  53          2HB       GLN  53 111.360 148.249  80.771
  319   1HG   GLN  53          1HG       GLN  53 113.291 147.912  82.374
  320   2HG   GLN  53          2HG       GLN  53 112.284 146.753  83.256
  321   1HE2  GLN  53          2HE2      GLN  53 111.118 145.114  81.545
  322   2HE2  GLN  53          1HE2      GLN  53 112.260 144.377  80.441
  Start of MODEL    5
    1   1H    ASN  12          1H        ASN  12  97.048 143.267 104.300
    2   2H    ASN  12          2H        ASN  12  95.857 142.420 105.069
    3   3H    ASN  12          3H        ASN  12  96.960 141.643 104.103
    4    HA   ASN  12           HA       ASN  12  97.612 143.073 106.525
    5   1HB   ASN  12          1HB       ASN  12  97.876 141.100 107.758
    6   2HB   ASN  12          2HB       ASN  12  96.261 141.077 107.037
    7   1HD2  ASN  12          2HD2      ASN  12  96.149 140.013 104.792
    8   2HD2  ASN  12          1HD2      ASN  12  97.354 138.826 104.386
    9    H    VAL  13           H        VAL  13  99.796 142.163 107.388
   10    HA   VAL  13           HA       VAL  13 101.921 142.789 105.693
   11    HB   VAL  13           HB       VAL  13 102.436 142.714 107.970
   12   1HG1  VAL  13          1HG2      VAL  13 100.702 141.326 108.902
   13   2HG1  VAL  13          2HG2      VAL  13 102.256 140.624 109.365
   14   3HG1  VAL  13          3HG2      VAL  13 101.315 139.892 108.052
   15   1HG2  VAL  13          1HG1      VAL  13 104.298 141.167 108.225
   16   2HG2  VAL  13          2HG1      VAL  13 104.270 141.695 106.534
   17   3HG2  VAL  13          3HG1      VAL  13 103.663 140.091 106.988
   18    H    LYS  14           H        LYS  14 103.003 141.785 104.119
   19    HA   LYS  14           HA       LYS  14 103.070 138.925 104.088
   20   1HB   LYS  14          2HB       LYS  14 102.340 138.400 101.964
   21   2HB   LYS  14          1HB       LYS  14 101.110 139.461 102.573
   22   1HG   LYS  14          2HG       LYS  14 103.313 140.133 100.583
   23   2HG   LYS  14          1HG       LYS  14 101.607 139.876 100.259
   24   1HD   LYS  14          2HD       LYS  14 101.046 141.904 101.616
   25   2HD   LYS  14          1HD       LYS  14 102.781 142.165 101.917
   26   1HE   LYS  14          1HE       LYS  14 103.188 142.335  99.474
   27   2HE   LYS  14          2HE       LYS  14 101.447 142.155  99.180
   28   1HZ   LYS  14          1HZ       LYS  14 102.123 144.433  99.172
   29   2HZ   LYS  14          2HZ       LYS  14 102.724 144.318 100.702
   30   3HZ   LYS  14          3HZ       LYS  14 101.103 144.160 100.438
   31    H    CYS  15           H        CYS  15 104.371 138.148 102.245
   32    HA   CYS  15           HA       CYS  15 106.975 139.532 102.412
   33   1HB   CYS  15          1HB       CYS  15 106.655 137.308 103.456
   34   2HB   CYS  15          2HB       CYS  15 106.109 136.640 101.993
   35    H    PHE  16           H        PHE  16 108.211 139.868 100.617
   36    HA   PHE  16           HA       PHE  16 106.805 139.959  97.984
   37   1HB   PHE  16          2HB       PHE  16 109.318 141.276  99.048
   38   2HB   PHE  16          1HB       PHE  16 108.648 141.461  97.440
   39    HD1  PHE  16           HD1      PHE  16 106.514 142.720  97.099
   40    HD2  PHE  16           HD2      PHE  16 108.274 142.321 101.016
   41    HE1  PHE  16           HE1      PHE  16 105.056 144.539  97.943
   42    HE2  PHE  16           HE2      PHE  16 106.785 144.110 101.865
   43    HZ   PHE  16           HZ       PHE  16 105.193 145.240 100.329
   44    H    ASN  17           H        ASN  17 109.598 138.816  99.648
   45    HA   ASN  17           HA       ASN  17 111.181 137.566  97.682
   46   1HB   ASN  17          1HB       ASN  17 111.970 138.084  99.928
   47   2HB   ASN  17          2HB       ASN  17 110.689 137.156 100.641
   48   1HD2  ASN  17          1HD2      ASN  17 110.626 134.747  99.865
   49   2HD2  ASN  17          2HD2      ASN  17 112.143 133.975 100.212
   50    H    CYS  18           H        CYS  18 108.362 136.370  99.539
   51    HA   CYS  18           HA       CYS  18 108.118 134.066  97.681
   52   1HB   CYS  18          1HB       CYS  18 107.702 132.501  99.237
   53   2HB   CYS  18          2HB       CYS  18 109.200 133.264  99.732
   54    H    GLY  19           H        GLY  19 106.471 136.234 100.069
   55   1HA   GLY  19          1HA       GLY  19 104.219 136.838 100.341
   56   2HA   GLY  19          2HA       GLY  19 104.010 136.390  98.647
   57    H    LYS  20           H        LYS  20 104.733 134.801 101.737
   58    HA   LYS  20           HA       LYS  20 102.463 132.936 101.377
   59   1HB   LYS  20          1HB       LYS  20 104.729 133.176 103.366
   60   2HB   LYS  20          2HB       LYS  20 103.391 132.130 103.743
   61   1HG   LYS  20          1HG       LYS  20 104.280 131.409 101.091
   62   2HG   LYS  20          2HG       LYS  20 105.686 131.700 102.105
   63   1HD   LYS  20          2HD       LYS  20 105.278 129.434 102.439
   64   2HD   LYS  20          1HD       LYS  20 104.564 130.154 103.872
   65   1HE   LYS  20          2HE       LYS  20 103.048 129.317 101.338
   66   2HE   LYS  20          1HE       LYS  20 103.111 128.399 102.848
   67   1HZ   LYS  20          1HZ       LYS  20 101.107 129.641 102.681
   68   2HZ   LYS  20          2HZ       LYS  20 102.002 130.213 103.938
   69   3HZ   LYS  20          3HZ       LYS  20 101.917 131.064 102.532
   70    H    GLU  21           H        GLU  21 103.131 135.515 102.665
   71    HA   GLU  21           HA       GLU  21 102.288 137.164 103.835
   72   1HB   GLU  21          2HB       GLU  21  99.901 135.573 104.555
   73   2HB   GLU  21          1HB       GLU  21 100.049 137.312 104.731
   74   1HG   GLU  21          1HG       GLU  21 100.257 137.571 102.298
   75   2HG   GLU  21          2HG       GLU  21 100.271 135.858 102.110
   76    H    GLY  22           H        GLY  22 101.607 137.769 106.098
   77   1HA   GLY  22          1HA       GLY  22 101.755 137.677 108.414
   78   2HA   GLY  22          2HA       GLY  22 102.010 135.940 108.314
   79    H    HIS  23           H        HIS  23 104.166 137.739 106.365
   80    HA   HIS  23           HA       HIS  23 106.055 138.572 108.302
   81   1HB   HIS  23          1HB       HIS  23 107.878 137.089 107.895
   82   2HB   HIS  23          2HB       HIS  23 106.623 136.137 108.535
   83    HD1  HIS  23           HD1      HIS  23 105.310 134.543 106.550
   84    HD2  HIS  23           HD2      HIS  23 108.932 136.334 105.652
   85    HE1  HIS  23           HE1      HIS  23 106.386 133.260 104.640
   86    H    THR  24           H        THR  24 108.192 139.036 107.096
   87    HA   THR  24           HA       THR  24 107.496 140.252 104.442
   88    HB   THR  24           HB       THR  24 109.122 142.021 105.020
   89    HG1  THR  24           HG1      THR  24 109.333 140.808 107.566
   90   1HG2  THR  24          1HG2      THR  24 107.171 141.634 107.316
   91   2HG2  THR  24          2HG2      THR  24 106.785 142.346 105.727
   92   3HG2  THR  24          3HG2      THR  24 107.956 143.144 106.804
   93    H    ALA  25           H        ALA  25 109.356 140.764 103.084
   94    HA   ALA  25           HA       ALA  25 111.051 138.570 102.456
   95   1HB   ALA  25          1HB       ALA  25 110.455 140.291 100.831
   96   2HB   ALA  25          2HB       ALA  25 112.219 140.241 101.036
   97   3HB   ALA  25          3HB       ALA  25 111.272 141.535 101.797
   98    H    ARG  26           H        ARG  26 111.346 141.027 104.955
   99    HA   ARG  26           HA       ARG  26 114.242 140.890 105.203
  100   1HB   ARG  26          2HB       ARG  26 112.201 141.654 107.329
  101   2HB   ARG  26          1HB       ARG  26 113.901 142.104 107.256
  102   1HG   ARG  26          1HG       ARG  26 111.731 143.028 105.300
  103   2HG   ARG  26          2HG       ARG  26 112.336 143.920 106.684
  104   1HD   ARG  26          2HD       ARG  26 114.604 143.974 105.725
  105   2HD   ARG  26          1HD       ARG  26 114.077 143.040 104.324
  106    HE   ARG  26           HE       ARG  26 113.670 145.872 104.865
  107   1HH1  ARG  26          1HH1      ARG  26 112.418 143.107 103.026
  108   2HH1  ARG  26          2HH1      ARG  26 111.684 144.098 101.791
  109   1HH2  ARG  26          2HH2      ARG  26 112.700 147.160 103.244
  110   2HH2  ARG  26          1HH2      ARG  26 111.842 146.416 101.921
  111    H    ASN  27           H        ASN  27 111.423 139.476 106.832
  112    HA   ASN  27           HA       ASN  27 112.887 137.893 108.728
  113   1HB   ASN  27          2HB       ASN  27 110.050 137.567 107.699
  114   2HB   ASN  27          1HB       ASN  27 110.695 136.890 109.200
  115   1HD2  ASN  27          1HD2      ASN  27 108.432 138.217 109.517
  116   2HD2  ASN  27          2HD2      ASN  27 108.673 139.820 110.167
  117    H    CYS  28           H        CYS  28 111.522 137.308 105.537
  118    HA   CYS  28           HA       CYS  28 111.251 134.552 105.544
  119   1HB   CYS  28          1HB       CYS  28 110.418 136.246 103.813
  120   2HB   CYS  28          2HB       CYS  28 111.974 136.191 103.125
  121    H    ARG  29           H        ARG  29 112.445 132.865 105.389
  122    HA   ARG  29           HA       ARG  29 115.089 132.974 104.077
  123   1HB   ARG  29          2HB       ARG  29 115.207 132.737 106.600
  124   2HB   ARG  29          1HB       ARG  29 114.393 131.165 106.440
  125   1HG   ARG  29          1HG       ARG  29 116.204 130.415 104.905
  126   2HG   ARG  29          2HG       ARG  29 116.905 132.037 104.970
  127   1HD   ARG  29          1HD       ARG  29 117.329 131.757 107.406
  128   2HD   ARG  29          2HD       ARG  29 116.584 130.142 107.347
  129    HE   ARG  29           HE       ARG  29 118.672 130.256 105.426
  130   1HH1  ARG  29          1HH1      ARG  29 118.255 130.232 108.949
  131   2HH1  ARG  29          2HH1      ARG  29 119.796 129.477 109.259
  132   1HH2  ARG  29          1HH2      ARG  29 120.698 129.264 105.840
  133   2HH2  ARG  29          2HH2      ARG  29 121.194 128.925 107.477
  134    H    ALA  30           H        ALA  30 113.079 132.774 102.613
  135    HA   ALA  30           HA       ALA  30 112.995 129.899 101.729
  136   1HB   ALA  30          1HB       ALA  30 110.768 131.918 101.188
  137   2HB   ALA  30          2HB       ALA  30 110.739 130.187 100.878
  138   3HB   ALA  30          3HB       ALA  30 110.705 130.779 102.550
  139    HA   PRO  31           HA       PRO  31 115.520 133.599  99.493
  140   1HB   PRO  31          2HB       PRO  31 115.383 131.043  97.894
  141   2HB   PRO  31          1HB       PRO  31 116.640 132.321  97.783
  142   1HG   PRO  31          1HG       PRO  31 116.888 130.243  99.576
  143   2HG   PRO  31          2HG       PRO  31 117.427 131.895  99.980
  144   1HD   PRO  31          1HD       PRO  31 115.242 130.404 101.171
  145   2HD   PRO  31          2HD       PRO  31 115.851 131.996 101.649
  146    H    ARG  32           H        ARG  32 115.487 134.476  97.132
  147    HA   ARG  32           HA       ARG  32 112.771 135.521  97.112
  148   1HB   ARG  32          1HB       ARG  32 115.156 136.270  95.385
  149   2HB   ARG  32          2HB       ARG  32 113.624 137.115  95.463
  150   1HG   ARG  32          2HG       ARG  32 115.048 138.393  96.746
  151   2HG   ARG  32          1HG       ARG  32 113.996 137.573  97.902
  152   1HD   ARG  32          2HD       ARG  32 115.802 136.135  98.634
  153   2HD   ARG  32          1HD       ARG  32 116.758 136.521  97.198
  154    HE   ARG  32           HE       ARG  32 117.569 138.388  98.170
  155   1HH1  ARG  32          2HH2      ARG  32 114.781 137.360 100.129
  156   2HH1  ARG  32          1HH2      ARG  32 115.077 138.534 101.383
  157   1HH2  ARG  32          2HH1      ARG  32 117.941 139.906  99.823
  158   2HH2  ARG  32          1HH1      ARG  32 116.883 139.979 101.207
  159    H    LYS  33           H        LYS  33 111.623 135.892  95.209
  160    HA   LYS  33           HA       LYS  33 111.244 133.368  93.792
  161   1HB   LYS  33          1HB       LYS  33 109.036 134.243  93.250
  162   2HB   LYS  33          2HB       LYS  33 109.383 134.288  94.974
  163   1HG   LYS  33          1HG       LYS  33 109.680 136.703  94.914
  164   2HG   LYS  33          2HG       LYS  33 109.663 136.720  93.145
  165   1HD   LYS  33          1HD       LYS  33 107.536 137.494  94.115
  166   2HD   LYS  33          2HD       LYS  33 107.329 136.080  93.070
  167   1HE   LYS  33          1HE       LYS  33 107.116 134.618  95.041
  168   2HE   LYS  33          2HE       LYS  33 107.519 135.978  96.111
  169   1HZ   LYS  33          1HZ       LYS  33 105.201 135.538  96.043
  170   2HZ   LYS  33          2HZ       LYS  33 105.505 137.037  95.417
  171   3HZ   LYS  33          3HZ       LYS  33 105.136 135.781  94.411
  172    H    LYS  34           H        LYS  34 110.546 133.289  91.647
  173    HA   LYS  34           HA       LYS  34 112.482 134.564  89.913
  174   1HB   LYS  34          1HB       LYS  34 110.491 132.395  89.206
  175   2HB   LYS  34          2HB       LYS  34 112.050 132.728  88.462
  176   1HG   LYS  34          1HG       LYS  34 111.448 131.519  91.201
  177   2HG   LYS  34          2HG       LYS  34 112.205 130.733  89.836
  178   1HD   LYS  34          1HD       LYS  34 114.240 132.107  90.107
  179   2HD   LYS  34          2HD       LYS  34 113.468 133.045  91.391
  180   1HE   LYS  34          2HE       LYS  34 113.135 130.785  92.624
  181   2HE   LYS  34          1HE       LYS  34 114.352 130.159  91.497
  182   1HZ   LYS  34          1HZ       LYS  34 114.636 132.414  93.375
  183   2HZ   LYS  34          2HZ       LYS  34 115.801 131.944  92.300
  184   3HZ   LYS  34          3HZ       LYS  34 115.333 130.931  93.513
  185    H    GLY  35           H        GLY  35 109.246 134.130  90.166
  186   1HA   GLY  35          1HA       GLY  35 108.057 135.757  88.078
  187   2HA   GLY  35          2HA       GLY  35 107.295 135.353  89.614
  188    H    CYS  36           H        CYS  36 106.644 137.698  88.904
  189    HA   CYS  36           HA       CYS  36 108.357 139.863  89.454
  190   1HB   CYS  36          2HB       CYS  36 105.822 139.917  88.540
  191   2HB   CYS  36          1HB       CYS  36 105.431 140.103  90.121
  192    H    TRP  37           H        TRP  37 109.282 140.495  91.248
  193    HA   TRP  37           HA       TRP  37 108.858 139.423  93.846
  194   1HB   TRP  37          2HB       TRP  37 110.876 140.603  92.668
  195   2HB   TRP  37          1HB       TRP  37 110.166 142.096  93.278
  196    HD1  TRP  37           HD1      TRP  37 111.753 138.820  94.207
  197    HE1  TRP  37           HE1      TRP  37 112.736 138.916  96.635
  198    HE3  TRP  37           HE3      TRP  37 110.023 143.410  95.606
  199    HZ2  TRP  37           HZ2      TRP  37 112.721 140.736  98.823
  200    HZ3  TRP  37           HZ3      TRP  37 110.565 144.334  97.844
  201    HH2  TRP  37           HH2      TRP  37 111.912 143.012  99.458
  202    H    LYS  38           H        LYS  38 107.447 142.101  92.086
  203    HA   LYS  38           HA       LYS  38 106.489 143.502  94.490
  204   1HB   LYS  38          2HB       LYS  38 107.779 144.534  92.676
  205   2HB   LYS  38          1HB       LYS  38 106.505 144.231  91.521
  206   1HG   LYS  38          2HG       LYS  38 106.106 145.909  94.039
  207   2HG   LYS  38          1HG       LYS  38 106.716 146.542  92.502
  208   1HD   LYS  38          2HD       LYS  38 104.607 145.665  91.386
  209   2HD   LYS  38          1HD       LYS  38 103.956 145.381  93.015
  210   1HE   LYS  38          1HE       LYS  38 104.307 147.788  93.547
  211   2HE   LYS  38          2HE       LYS  38 104.887 148.059  91.896
  212   1HZ   LYS  38          1HZ       LYS  38 102.208 147.135  92.685
  213   2HZ   LYS  38          2HZ       LYS  38 102.712 147.256  91.127
  214   3HZ   LYS  38          3HZ       LYS  38 102.596 148.609  92.064
  215    H    CYS  39           H        CYS  39 105.202 142.468  91.261
  216    HA   CYS  39           HA       CYS  39 102.516 143.163  92.280
  217   1HB   CYS  39          1HB       CYS  39 101.923 143.710  90.227
  218   2HB   CYS  39          2HB       CYS  39 103.638 143.964  90.067
  219    H    GLY  40           H        GLY  40 104.416 140.314  91.819
  220   1HA   GLY  40          1HA       GLY  40 103.833 138.343  92.877
  221   2HA   GLY  40          2HA       GLY  40 102.134 138.811  92.921
  222    H    LYS  41           H        LYS  41 102.566 139.431  89.809
  223    HA   LYS  41           HA       LYS  41 101.725 136.830  88.823
  224   1HB   LYS  41          1HB       LYS  41 102.690 139.354  87.452
  225   2HB   LYS  41          2HB       LYS  41 102.146 137.921  86.570
  226   1HG   LYS  41          2HG       LYS  41  99.939 138.042  87.501
  227   2HG   LYS  41          1HG       LYS  41 100.422 139.316  88.621
  228   1HD   LYS  41          2HD       LYS  41  99.146 140.295  86.826
  229   2HD   LYS  41          1HD       LYS  41 100.822 140.844  86.673
  230   1HE   LYS  41          2HE       LYS  41 101.212 139.179  84.870
  231   2HE   LYS  41          1HE       LYS  41  99.582 138.523  85.107
  232   1HZ   LYS  41          1HZ       LYS  41  98.699 140.628  84.431
  233   2HZ   LYS  41          2HZ       LYS  41 100.210 141.250  84.218
  234   3HZ   LYS  41          3HZ       LYS  41  99.684 140.014  83.264
  235    H    GLU  42           H        GLU  42 102.940 135.842  87.055
  236    HA   GLU  42           HA       GLU  42 105.900 135.839  87.444
  237   1HB   GLU  42          2HB       GLU  42 105.927 133.394  87.617
  238   2HB   GLU  42          1HB       GLU  42 105.014 134.150  88.932
  239   1HG   GLU  42          1HG       GLU  42 102.904 133.705  87.690
  240   2HG   GLU  42          2HG       GLU  42 103.822 132.843  86.446
  241    H    GLY  43           H        GLY  43 103.470 136.097  85.176
  242   1HA   GLY  43          1HA       GLY  43 104.925 134.849  82.948
  243   2HA   GLY  43          2HA       GLY  43 103.500 135.897  82.876
  244    H    HIS  44           H        HIS  44 106.753 136.150  84.197
  245    HA   HIS  44           HA       HIS  44 108.326 137.764  82.919
  246   1HB   HIS  44          2HB       HIS  44 107.942 140.080  83.555
  247   2HB   HIS  44          1HB       HIS  44 106.733 139.534  82.473
  248    HD1  HIS  44           HD1      HIS  44 104.244 139.470  83.551
  249    HD2  HIS  44           HD2      HIS  44 107.149 140.702  86.283
  250    HE1  HIS  44           HE1      HIS  44 103.128 140.601  85.533
  251    H    GLN  45           H        GLN  45 109.792 139.056  84.353
  252    HA   GLN  45           HA       GLN  45 109.773 137.985  87.155
  253   1HB   GLN  45          2HB       GLN  45 112.169 138.006  87.108
  254   2HB   GLN  45          1HB       GLN  45 111.608 137.192  85.663
  255   1HG   GLN  45          1HG       GLN  45 111.742 139.719  84.716
  256   2HG   GLN  45          2HG       GLN  45 112.941 139.811  85.943
  257   1HE2  GLN  45          2HE2      GLN  45 112.166 138.390  82.840
  258   2HE2  GLN  45          1HE2      GLN  45 113.731 137.651  82.551
  259    H    MET  46           H        MET  46 111.532 139.506  88.301
  260    HA   MET  46           HA       MET  46 109.907 141.795  88.988
  261   1HB   MET  46          1HB       MET  46 111.437 141.964  90.872
  262   2HB   MET  46          2HB       MET  46 111.239 140.252  90.514
  263   1HG   MET  46          2HG       MET  46 113.374 140.258  89.256
  264   2HG   MET  46          1HG       MET  46 113.623 141.952  89.699
  265   1HE   MET  46          1HE       MET  46 114.365 141.817  93.497
  266   2HE   MET  46          2HE       MET  46 114.344 142.816  92.027
  267   3HE   MET  46          3HE       MET  46 112.821 142.221  92.726
  268    H    LYS  47           H        LYS  47 112.884 141.312  87.176
  269    HA   LYS  47           HA       LYS  47 113.596 144.064  86.863
  270   1HB   LYS  47          1HB       LYS  47 114.151 141.868  84.825
  271   2HB   LYS  47          2HB       LYS  47 115.044 143.363  85.134
  272   1HG   LYS  47          2HG       LYS  47 115.301 142.242  87.570
  273   2HG   LYS  47          1HG       LYS  47 115.046 140.758  86.658
  274   1HD   LYS  47          2HD       LYS  47 117.177 142.884  86.155
  275   2HD   LYS  47          1HD       LYS  47 117.455 141.304  86.889
  276   1HE   LYS  47          1HE       LYS  47 116.505 141.752  84.011
  277   2HE   LYS  47          2HE       LYS  47 118.171 141.442  84.507
  278   1HZ   LYS  47          1HZ       LYS  47 115.924 139.591  84.896
  279   2HZ   LYS  47          2HZ       LYS  47 117.479 139.334  85.374
  280   3HZ   LYS  47          3HZ       LYS  47 117.116 139.464  83.775
  281    H    ASP  48           H        ASP  48 111.775 141.815  84.847
  282    HA   ASP  48           HA       ASP  48 111.213 143.411  82.618
  283   1HB   ASP  48          1HB       ASP  48 109.720 141.156  83.971
  284   2HB   ASP  48          2HB       ASP  48 109.240 141.764  82.390
  285    H    CYS  49           H        CYS  49 109.354 143.049  85.675
  286    HA   CYS  49           HA       CYS  49 106.959 143.961  84.685
  287   1HB   CYS  49          2HB       CYS  49 107.321 142.812  86.774
  288   2HB   CYS  49          1HB       CYS  49 107.821 144.271  87.555
  289    H    THR  50           H        THR  50 106.293 145.958  84.012
  290    HA   THR  50           HA       THR  50 107.803 148.348  84.101
  291    HB   THR  50           HB       THR  50 105.680 149.446  83.403
  292    HG1  THR  50           HG1      THR  50 104.573 146.845  83.656
  293   1HG2  THR  50          1HG2      THR  50 107.142 148.343  81.738
  294   2HG2  THR  50          2HG2      THR  50 105.429 148.237  81.290
  295   3HG2  THR  50          3HG2      THR  50 106.258 146.817  81.957
  296    H    GLU  51           H        GLU  51 105.619 146.971  86.461
  297    HA   GLU  51           HA       GLU  51 104.990 149.269  88.023
  298   1HB   GLU  51          1HB       GLU  51 105.240 146.324  88.836
  299   2HB   GLU  51          2HB       GLU  51 104.336 147.566  89.683
  300   1HG   GLU  51          1HG       GLU  51 102.992 147.958  87.672
  301   2HG   GLU  51          2HG       GLU  51 103.705 146.569  86.868
  302    H    ARG  52           H        ARG  52 107.447 146.776  88.181
  303    HA   ARG  52           HA       ARG  52 108.861 147.710  90.490
  304   1HB   ARG  52          1HB       ARG  52 109.475 145.844  88.198
  305   2HB   ARG  52          2HB       ARG  52 110.786 146.323  89.241
  306   1HG   ARG  52          1HG       ARG  52 108.258 145.364  90.544
  307   2HG   ARG  52          2HG       ARG  52 109.249 144.172  89.714
  308   1HD   ARG  52          2HD       ARG  52 109.939 144.195  92.016
  309   2HD   ARG  52          1HD       ARG  52 111.244 144.846  91.048
  310    HE   ARG  52           HE       ARG  52 109.406 146.288  92.904
  311   1HH1  ARG  52          1HH1      ARG  52 112.275 146.547  90.788
  312   2HH1  ARG  52          2HH1      ARG  52 112.660 148.150  91.348
  313   1HH2  ARG  52          2HH2      ARG  52 109.968 148.369  93.610
  314   2HH2  ARG  52          1HH2      ARG  52 111.367 149.175  92.952
  315    H    GLN  53           H        GLN  53 109.379 148.246  87.019
  316    HA   GLN  53           HA       GLN  53 111.757 149.761  87.186
  317   1HB   GLN  53          1HB       GLN  53 109.483 149.721  85.169
  318   2HB   GLN  53          2HB       GLN  53 111.020 150.557  84.910
  319   1HG   GLN  53          2HG       GLN  53 112.275 148.501  85.036
  320   2HG   GLN  53          1HG       GLN  53 110.864 147.581  85.545
  321   1HE2  GLN  53          2HE2      GLN  53 111.507 146.181  83.709
  322   2HE2  GLN  53          1HE2      GLN  53 110.880 146.579  82.122
  Start of MODEL    6
    1   1H    ASN  12          1H        ASN  12  96.692 142.424 106.931
    2   2H    ASN  12          2H        ASN  12  95.848 141.824 108.216
    3   3H    ASN  12          3H        ASN  12  97.358 142.451 108.437
    4    HA   ASN  12           HA       ASN  12  97.387 140.051 108.478
    5   1HB   ASN  12          1HB       ASN  12  95.481 139.580 107.247
    6   2HB   ASN  12          2HB       ASN  12  96.298 140.299 105.867
    7   1HD2  ASN  12          1HD2      ASN  12  96.537 137.580 108.215
    8   2HD2  ASN  12          2HD2      ASN  12  97.359 136.488 107.117
    9    H    VAL  13           H        VAL  13  99.606 140.213 108.727
   10    HA   VAL  13           HA       VAL  13 101.302 141.423 106.702
   11    HB   VAL  13           HB       VAL  13 102.141 141.754 108.835
   12   1HG1  VAL  13          1HG2      VAL  13 101.620 138.824 109.434
   13   2HG1  VAL  13          2HG2      VAL  13 100.874 140.246 110.204
   14   3HG1  VAL  13          3HG2      VAL  13 102.582 139.892 110.474
   15   1HG2  VAL  13          1HG1      VAL  13 103.953 140.870 107.270
   16   2HG2  VAL  13          2HG1      VAL  13 104.292 140.616 108.986
   17   3HG2  VAL  13          3HG1      VAL  13 103.734 139.272 108.006
   18    H    LYS  14           H        LYS  14 102.354 140.498 105.108
   19    HA   LYS  14           HA       LYS  14 103.285 137.820 105.291
   20   1HB   LYS  14          1HB       LYS  14 102.427 136.772 103.466
   21   2HB   LYS  14          2HB       LYS  14 101.037 137.603 103.856
   22   1HG   LYS  14          1HG       LYS  14 102.880 138.376 101.725
   23   2HG   LYS  14          2HG       LYS  14 101.240 137.807 101.577
   24   1HD   LYS  14          2HD       LYS  14 101.791 140.477 102.931
   25   2HD   LYS  14          1HD       LYS  14 101.720 140.307 101.185
   26   1HE   LYS  14          2HE       LYS  14  99.570 141.026 101.986
   27   2HE   LYS  14          1HE       LYS  14  99.439 139.405 101.290
   28   1HZ   LYS  14          1HZ       LYS  14  99.584 140.025 104.168
   29   2HZ   LYS  14          2HZ       LYS  14  98.226 139.640 103.336
   30   3HZ   LYS  14          3HZ       LYS  14  99.404 138.523 103.511
   31    H    CYS  15           H        CYS  15 104.593 137.390 103.449
   32    HA   CYS  15           HA       CYS  15 106.659 139.456 103.444
   33   1HB   CYS  15          2HB       CYS  15 107.164 137.317 104.231
   34   2HB   CYS  15          1HB       CYS  15 106.395 136.480 102.960
   35    H    PHE  16           H        PHE  16 108.029 139.577 101.397
   36    HA   PHE  16           HA       PHE  16 106.260 140.094  99.013
   37   1HB   PHE  16          1HB       PHE  16 108.922 141.377  99.571
   38   2HB   PHE  16          2HB       PHE  16 107.674 141.885  98.449
   39    HD1  PHE  16           HD1      PHE  16 105.220 141.915 100.137
   40    HD2  PHE  16           HD2      PHE  16 109.242 143.185 101.040
   41    HE1  PHE  16           HE1      PHE  16 104.378 143.229 102.054
   42    HE2  PHE  16           HE2      PHE  16 108.386 144.506 102.959
   43    HZ   PHE  16           HZ       PHE  16 105.958 144.507 103.484
   44    H    ASN  17           H        ASN  17 109.497 139.285  99.994
   45    HA   ASN  17           HA       ASN  17 110.753 138.050  97.912
   46   1HB   ASN  17          1HB       ASN  17 111.718 138.587 100.113
   47   2HB   ASN  17          2HB       ASN  17 110.638 137.492 100.881
   48   1HD2  ASN  17          2HD2      ASN  17 110.732 135.164 100.088
   49   2HD2  ASN  17          1HD2      ASN  17 112.334 134.549 100.368
   50    H    CYS  18           H        CYS  18 108.297 136.549 100.003
   51    HA   CYS  18           HA       CYS  18 107.888 134.319  98.081
   52   1HB   CYS  18          1HB       CYS  18 108.163 132.633  99.513
   53   2HB   CYS  18          2HB       CYS  18 109.561 133.630  99.827
   54    H    GLY  19           H        GLY  19 106.378 136.753  99.837
   55   1HA   GLY  19          1HA       GLY  19 104.742 136.835 101.403
   56   2HA   GLY  19          2HA       GLY  19 103.751 136.742  99.997
   57    H    LYS  20           H        LYS  20 105.339 134.799 102.492
   58    HA   LYS  20           HA       LYS  20 102.755 133.340 102.804
   59   1HB   LYS  20          1HB       LYS  20 105.248 132.353 104.169
   60   2HB   LYS  20          2HB       LYS  20 103.729 131.608 103.993
   61   1HG   LYS  20          1HG       LYS  20 103.984 131.615 101.555
   62   2HG   LYS  20          2HG       LYS  20 105.504 132.421 101.743
   63   1HD   LYS  20          1HD       LYS  20 106.585 130.503 102.729
   64   2HD   LYS  20          2HD       LYS  20 105.032 129.698 102.991
   65   1HE   LYS  20          2HE       LYS  20 106.263 128.713 101.066
   66   2HE   LYS  20          1HE       LYS  20 104.704 129.401 100.584
   67   1HZ   LYS  20          1HZ       LYS  20 107.320 130.693 100.252
   68   2HZ   LYS  20          2HZ       LYS  20 106.424 129.991  99.062
   69   3HZ   LYS  20          3HZ       LYS  20 105.872 131.349  99.812
   70    H    GLU  21           H        GLU  21 101.915 133.552 104.629
   71    HA   GLU  21           HA       GLU  21 102.128 136.163 105.675
   72   1HB   GLU  21          1HB       GLU  21 100.455 133.853 106.501
   73   2HB   GLU  21          2HB       GLU  21 100.211 135.474 107.190
   74   1HG   GLU  21          2HG       GLU  21  99.737 136.360 104.996
   75   2HG   GLU  21          1HG       GLU  21 100.093 134.822 104.221
   76    H    GLY  22           H        GLY  22 102.023 136.712 107.888
   77   1HA   GLY  22          1HA       GLY  22 102.707 136.855 110.097
   78   2HA   GLY  22          2HA       GLY  22 103.097 135.137 110.059
   79    H    HIS  23           H        HIS  23 104.558 137.085 107.585
   80    HA   HIS  23           HA       HIS  23 106.713 138.083 109.152
   81   1HB   HIS  23          2HB       HIS  23 108.559 136.858 108.399
   82   2HB   HIS  23          1HB       HIS  23 107.528 135.702 109.098
   83    HD1  HIS  23           HD1      HIS  23 105.956 134.353 107.007
   84    HD2  HIS  23           HD2      HIS  23 109.480 136.310 106.029
   85    HE1  HIS  23           HE1      HIS  23 106.711 133.515 104.753
   86    H    THR  24           H        THR  24 108.408 138.994 107.862
   87    HA   THR  24           HA       THR  24 107.358 140.251 105.361
   88    HB   THR  24           HB       THR  24 108.914 142.109 105.922
   89    HG1  THR  24           HG1      THR  24 109.932 141.960 108.028
   90   1HG2  THR  24          1HG2      THR  24 107.243 141.372 108.352
   91   2HG2  THR  24          2HG2      THR  24 107.828 142.985 107.888
   92   3HG2  THR  24          3HG2      THR  24 106.628 142.154 106.871
   93    H    ALA  25           H        ALA  25 109.033 140.954 103.823
   94    HA   ALA  25           HA       ALA  25 110.841 138.922 102.967
   95   1HB   ALA  25          1HB       ALA  25 110.827 141.903 102.373
   96   2HB   ALA  25          2HB       ALA  25 111.696 140.661 101.449
   97   3HB   ALA  25          3HB       ALA  25 109.921 140.655 101.493
   98    H    ARG  26           H        ARG  26 111.160 141.368 105.483
   99    HA   ARG  26           HA       ARG  26 114.065 141.502 105.447
  100   1HB   ARG  26          1HB       ARG  26 112.187 142.034 107.782
  101   2HB   ARG  26          2HB       ARG  26 113.821 142.647 107.550
  102   1HG   ARG  26          1HG       ARG  26 111.384 143.383 105.844
  103   2HG   ARG  26          2HG       ARG  26 112.053 144.315 107.172
  104   1HD   ARG  26          2HD       ARG  26 114.194 144.570 105.976
  105   2HD   ARG  26          1HD       ARG  26 113.591 143.619 104.618
  106    HE   ARG  26           HE       ARG  26 113.018 146.397 105.275
  107   1HH1  ARG  26          2HH2      ARG  26 111.800 143.571 103.509
  108   2HH1  ARG  26          1HH2      ARG  26 110.857 144.520 102.388
  109   1HH2  ARG  26          2HH1      ARG  26 111.762 147.627 103.814
  110   2HH2  ARG  26          1HH1      ARG  26 110.826 146.838 102.573
  111    H    ASN  27           H        ASN  27 111.580 139.804 107.327
  112    HA   ASN  27           HA       ASN  27 113.407 138.319 108.993
  113   1HB   ASN  27          1HB       ASN  27 110.472 137.909 108.359
  114   2HB   ASN  27          2HB       ASN  27 111.334 137.166 109.719
  115   1HD2  ASN  27          1HD2      ASN  27 109.029 138.571 110.221
  116   2HD2  ASN  27          2HD2      ASN  27 109.405 140.095 110.998
  117    H    CYS  28           H        CYS  28 111.765 137.707 105.948
  118    HA   CYS  28           HA       CYS  28 111.549 134.973 105.857
  119   1HB   CYS  28          2HB       CYS  28 110.648 136.642 104.130
  120   2HB   CYS  28          1HB       CYS  28 112.229 136.794 103.564
  121    H    ARG  29           H        ARG  29 112.716 133.295 105.592
  122    HA   ARG  29           HA       ARG  29 115.276 133.359 104.111
  123   1HB   ARG  29          2HB       ARG  29 114.823 132.155 106.866
  124   2HB   ARG  29          1HB       ARG  29 116.060 131.514 105.754
  125   1HG   ARG  29          1HG       ARG  29 117.049 133.680 105.451
  126   2HG   ARG  29          2HG       ARG  29 115.831 134.454 106.457
  127   1HD   ARG  29          1HD       ARG  29 117.735 132.302 107.487
  128   2HD   ARG  29          2HD       ARG  29 118.067 134.028 107.627
  129    HE   ARG  29           HE       ARG  29 116.232 132.438 109.217
  130   1HH1  ARG  29          2HH2      ARG  29 116.842 135.737 108.042
  131   2HH1  ARG  29          1HH2      ARG  29 115.876 136.491 109.281
  132   1HH2  ARG  29          1HH1      ARG  29 114.976 133.448 110.843
  133   2HH2  ARG  29          2HH1      ARG  29 114.825 135.185 110.887
  134    H    ALA  30           H        ALA  30 113.277 133.152 102.895
  135    HA   ALA  30           HA       ALA  30 112.936 130.257 102.126
  136   1HB   ALA  30          1HB       ALA  30 110.757 131.373 103.047
  137   2HB   ALA  30          2HB       ALA  30 110.641 130.649 101.431
  138   3HB   ALA  30          3HB       ALA  30 110.814 132.385 101.589
  139    HA   PRO  31           HA       PRO  31 115.382 133.760  99.438
  140   1HB   PRO  31          2HB       PRO  31 115.096 131.056  98.115
  141   2HB   PRO  31          1HB       PRO  31 116.334 132.309  97.754
  142   1HG   PRO  31          1HG       PRO  31 116.796 130.441  99.701
  143   2HG   PRO  31          2HG       PRO  31 117.284 132.142  99.934
  144   1HD   PRO  31          2HD       PRO  31 115.192 130.657 101.331
  145   2HD   PRO  31          1HD       PRO  31 115.848 132.251 101.736
  146    H    ARG  32           H        ARG  32 115.176 134.301  96.967
  147    HA   ARG  32           HA       ARG  32 112.531 135.527  97.012
  148   1HB   ARG  32          2HB       ARG  32 114.857 135.840  95.050
  149   2HB   ARG  32          1HB       ARG  32 113.393 136.811  95.087
  150   1HG   ARG  32          2HG       ARG  32 115.017 138.118  96.081
  151   2HG   ARG  32          1HG       ARG  32 113.981 137.581  97.407
  152   1HD   ARG  32          2HD       ARG  32 115.686 136.123  98.267
  153   2HD   ARG  32          1HD       ARG  32 116.543 136.105  96.719
  154    HE   ARG  32           HE       ARG  32 117.662 137.987  97.238
  155   1HH1  ARG  32          2HH2      ARG  32 114.983 137.727  99.565
  156   2HH1  ARG  32          1HH2      ARG  32 115.575 139.025 100.566
  157   1HH2  ARG  32          2HH1      ARG  32 118.410 139.679  98.557
  158   2HH2  ARG  32          1HH1      ARG  32 117.525 140.141  99.987
  159    H    LYS  33           H        LYS  33 111.353 135.745  94.945
  160    HA   LYS  33           HA       LYS  33 110.673 133.042  94.090
  161   1HB   LYS  33          2HB       LYS  33 108.558 133.939  93.607
  162   2HB   LYS  33          1HB       LYS  33 109.097 134.754  95.062
  163   1HG   LYS  33          2HG       LYS  33 109.793 136.720  93.600
  164   2HG   LYS  33          1HG       LYS  33 109.139 135.846  92.214
  165   1HD   LYS  33          1HD       LYS  33 107.428 137.302  92.831
  166   2HD   LYS  33          2HD       LYS  33 106.898 135.734  93.428
  167   1HE   LYS  33          1HE       LYS  33 107.455 136.302  95.703
  168   2HE   LYS  33          2HE       LYS  33 108.420 137.698  95.202
  169   1HZ   LYS  33          1HZ       LYS  33 106.444 138.797  94.516
  170   2HZ   LYS  33          2HZ       LYS  33 105.508 137.492  94.918
  171   3HZ   LYS  33          3HZ       LYS  33 106.334 138.323  96.085
  172    H    LYS  34           H        LYS  34 109.645 132.955  91.814
  173    HA   LYS  34           HA       LYS  34 111.836 133.368  89.920
  174   1HB   LYS  34          1HB       LYS  34 109.211 131.868  89.592
  175   2HB   LYS  34          2HB       LYS  34 110.607 131.810  88.504
  176   1HG   LYS  34          1HG       LYS  34 111.963 130.847  90.365
  177   2HG   LYS  34          2HG       LYS  34 110.513 130.815  91.389
  178   1HD   LYS  34          2HD       LYS  34 109.356 129.397  89.691
  179   2HD   LYS  34          1HD       LYS  34 110.849 129.359  88.730
  180   1HE   LYS  34          1HE       LYS  34 112.038 128.284  90.631
  181   2HE   LYS  34          2HE       LYS  34 110.546 128.328  91.591
  182   1HZ   LYS  34          1HZ       LYS  34 110.882 126.206  90.575
  183   2HZ   LYS  34          2HZ       LYS  34 109.528 126.914  89.958
  184   3HZ   LYS  34          3HZ       LYS  34 110.914 126.871  89.067
  185    H    GLY  35           H        GLY  35 108.597 133.880  90.173
  186   1HA   GLY  35          1HA       GLY  35 107.973 135.409  87.801
  187   2HA   GLY  35          2HA       GLY  35 106.959 135.286  89.243
  188    H    CYS  36           H        CYS  36 106.712 137.572  88.241
  189    HA   CYS  36           HA       CYS  36 108.501 139.656  88.894
  190   1HB   CYS  36          1HB       CYS  36 106.188 139.812  87.639
  191   2HB   CYS  36          2HB       CYS  36 105.482 139.944  89.063
  192    H    TRP  37           H        TRP  37 109.325 140.053  90.809
  193    HA   TRP  37           HA       TRP  37 108.603 139.130  93.318
  194   1HB   TRP  37          1HB       TRP  37 110.667 140.443  92.332
  195   2HB   TRP  37          2HB       TRP  37 109.852 141.853  92.999
  196    HD1  TRP  37           HD1      TRP  37 111.469 138.538  93.788
  197    HE1  TRP  37           HE1      TRP  37 112.394 138.533  96.236
  198    HE3  TRP  37           HE3      TRP  37 109.498 142.958  95.425
  199    HZ2  TRP  37           HZ2      TRP  37 112.269 140.235  98.533
  200    HZ3  TRP  37           HZ3      TRP  37 109.955 143.768  97.719
  201    HH2  TRP  37           HH2      TRP  37 111.364 142.432  99.268
  202    H    LYS  38           H        LYS  38 107.381 141.867  91.483
  203    HA   LYS  38           HA       LYS  38 106.079 143.099  93.815
  204   1HB   LYS  38          1HB       LYS  38 107.691 144.238  92.265
  205   2HB   LYS  38          2HB       LYS  38 106.523 144.145  90.971
  206   1HG   LYS  38          1HG       LYS  38 105.862 145.427  93.657
  207   2HG   LYS  38          2HG       LYS  38 106.733 146.251  92.356
  208   1HD   LYS  38          2HD       LYS  38 104.823 145.915  90.816
  209   2HD   LYS  38          1HD       LYS  38 103.907 145.131  92.111
  210   1HE   LYS  38          2HE       LYS  38 103.236 147.461  91.822
  211   2HE   LYS  38          1HE       LYS  38 103.886 147.160  93.443
  212   1HZ   LYS  38          1HZ       LYS  38 105.885 148.201  92.831
  213   2HZ   LYS  38          2HZ       LYS  38 104.673 149.210  92.354
  214   3HZ   LYS  38          3HZ       LYS  38 105.484 148.284  91.246
  215    H    CYS  39           H        CYS  39 105.306 142.414  90.330
  216    HA   CYS  39           HA       CYS  39 102.532 143.138  90.971
  217   1HB   CYS  39          2HB       CYS  39 102.260 143.773  88.898
  218   2HB   CYS  39          1HB       CYS  39 103.999 143.829  88.880
  219    H    GLY  40           H        GLY  40 104.360 140.207  90.698
  220   1HA   GLY  40          1HA       GLY  40 103.606 138.269  91.699
  221   2HA   GLY  40          2HA       GLY  40 101.936 138.817  91.615
  222    H    LYS  41           H        LYS  41 102.803 139.306  88.495
  223    HA   LYS  41           HA       LYS  41 101.837 136.715  87.544
  224   1HB   LYS  41          2HB       LYS  41 103.139 139.068  86.165
  225   2HB   LYS  41          1HB       LYS  41 102.585 137.636  85.296
  226   1HG   LYS  41          1HG       LYS  41 100.322 137.956  85.904
  227   2HG   LYS  41          2HG       LYS  41 100.727 139.221  87.072
  228   1HD   LYS  41          2HD       LYS  41 101.530 140.668  85.204
  229   2HD   LYS  41          1HD       LYS  41 101.077 139.413  84.037
  230   1HE   LYS  41          1HE       LYS  41  99.178 140.878  85.939
  231   2HE   LYS  41          2HE       LYS  41  99.397 141.244  84.220
  232   1HZ   LYS  41          1HZ       LYS  41  98.373 138.717  85.308
  233   2HZ   LYS  41          2HZ       LYS  41  98.611 139.043  83.709
  234   3HZ   LYS  41          3HZ       LYS  41  97.491 139.892  84.568
  235    H    GLU  42           H        GLU  42 103.177 135.505  86.036
  236    HA   GLU  42           HA       GLU  42 106.055 135.371  86.820
  237   1HB   GLU  42          1HB       GLU  42 106.003 132.973  87.036
  238   2HB   GLU  42          2HB       GLU  42 104.844 133.713  88.150
  239   1HG   GLU  42          1HG       GLU  42 103.020 133.240  86.546
  240   2HG   GLU  42          2HG       GLU  42 104.164 132.433  85.462
  241    H    GLY  43           H        GLY  43 103.981 135.711  84.233
  242   1HA   GLY  43          1HA       GLY  43 105.713 134.425  82.238
  243   2HA   GLY  43          2HA       GLY  43 104.352 135.521  81.962
  244    H    HIS  44           H        HIS  44 107.332 135.760  83.838
  245    HA   HIS  44           HA       HIS  44 109.128 137.239  82.652
  246   1HB   HIS  44          1HB       HIS  44 108.749 139.600  83.214
  247   2HB   HIS  44          2HB       HIS  44 107.722 139.050  81.947
  248    HD1  HIS  44           HD1      HIS  44 105.107 139.207  82.526
  249    HD2  HIS  44           HD2      HIS  44 107.488 140.228  85.803
  250    HE1  HIS  44           HE1      HIS  44 103.723 140.453  84.251
  251    H    GLN  45           H        GLN  45 110.517 138.461  84.116
  252    HA   GLN  45           HA       GLN  45 110.251 137.589  86.969
  253   1HB   GLN  45          1HB       GLN  45 112.603 137.723  87.197
  254   2HB   GLN  45          2HB       GLN  45 112.313 136.878  85.686
  255   1HG   GLN  45          2HG       GLN  45 112.482 139.164  84.569
  256   2HG   GLN  45          1HG       GLN  45 113.188 139.743  86.043
  257   1HE2  GLN  45          1HE2      GLN  45 114.279 139.238  83.192
  258   2HE2  GLN  45          2HE2      GLN  45 115.759 138.345  83.491
  259    H    MET  46           H        MET  46 111.901 139.381  88.115
  260    HA   MET  46           HA       MET  46 109.975 141.526  88.536
  261   1HB   MET  46          1HB       MET  46 111.163 141.843  90.597
  262   2HB   MET  46          2HB       MET  46 111.241 140.123  90.247
  263   1HG   MET  46          1HG       MET  46 113.509 140.327  89.385
  264   2HG   MET  46          2HG       MET  46 113.508 142.063  89.730
  265   1HE   MET  46          1HE       MET  46 113.845 143.139  92.049
  266   2HE   MET  46          2HE       MET  46 113.668 142.262  93.585
  267   3HE   MET  46          3HE       MET  46 112.258 142.500  92.535
  268    H    LYS  47           H        LYS  47 113.262 141.243  87.326
  269    HA   LYS  47           HA       LYS  47 113.869 143.922  86.747
  270   1HB   LYS  47          2HB       LYS  47 114.678 141.637  84.894
  271   2HB   LYS  47          1HB       LYS  47 115.538 143.114  85.318
  272   1HG   LYS  47          1HG       LYS  47 115.791 142.089  87.676
  273   2HG   LYS  47          2HG       LYS  47 115.107 140.615  87.027
  274   1HD   LYS  47          1HD       LYS  47 117.494 140.417  87.058
  275   2HD   LYS  47          2HD       LYS  47 116.847 140.310  85.421
  276   1HE   LYS  47          2HE       LYS  47 118.966 141.593  85.564
  277   2HE   LYS  47          1HE       LYS  47 117.649 142.536  84.870
  278   1HZ   LYS  47          1HZ       LYS  47 118.906 143.780  86.466
  279   2HZ   LYS  47          2HZ       LYS  47 117.362 143.584  87.002
  280   3HZ   LYS  47          3HZ       LYS  47 118.583 142.687  87.655
  281    H    ASP  48           H        ASP  48 112.569 141.431  84.620
  282    HA   ASP  48           HA       ASP  48 112.072 142.754  82.273
  283   1HB   ASP  48          2HB       ASP  48 110.637 140.538  83.747
  284   2HB   ASP  48          1HB       ASP  48 110.113 141.015  82.140
  285    H    CYS  49           H        CYS  49 109.859 142.563  85.114
  286    HA   CYS  49           HA       CYS  49 107.577 143.288  83.806
  287   1HB   CYS  49          2HB       CYS  49 107.666 142.414  85.999
  288   2HB   CYS  49          1HB       CYS  49 108.177 143.923  86.683
  289    H    THR  50           H        THR  50 106.725 145.216  83.110
  290    HA   THR  50           HA       THR  50 108.241 147.736  83.290
  291    HB   THR  50           HB       THR  50 106.470 148.506  81.706
  292    HG1  THR  50           HG1      THR  50 104.803 147.176  82.426
  293   1HG2  THR  50          1HG2      THR  50 107.757 145.856  80.912
  294   2HG2  THR  50          2HG2      THR  50 108.544 147.449  80.856
  295   3HG2  THR  50          3HG2      THR  50 107.144 147.112  79.821
  296    H    GLU  51           H        GLU  51 107.541 147.113  85.867
  297    HA   GLU  51           HA       GLU  51 105.087 148.612  86.496
  298   1HB   GLU  51          1HB       GLU  51 105.057 147.351  88.514
  299   2HB   GLU  51          2HB       GLU  51 105.127 146.347  87.118
  300   1HG   GLU  51          1HG       GLU  51 106.535 145.223  88.541
  301   2HG   GLU  51          2HG       GLU  51 107.713 146.143  87.605
  302    H    ARG  52           H        ARG  52 108.509 148.313  87.767
  303    HA   ARG  52           HA       ARG  52 108.157 150.863  89.140
  304   1HB   ARG  52          1HB       ARG  52 110.371 150.353  90.059
  305   2HB   ARG  52          2HB       ARG  52 109.108 149.198  90.405
  306   1HG   ARG  52          2HG       ARG  52 111.040 147.979  90.159
  307   2HG   ARG  52          1HG       ARG  52 110.112 147.617  88.721
  308   1HD   ARG  52          1HD       ARG  52 112.363 149.684  88.809
  309   2HD   ARG  52          2HD       ARG  52 112.666 147.978  88.510
  310    HE   ARG  52           HE       ARG  52 111.562 149.922  86.672
  311   1HH1  ARG  52          1HH1      ARG  52 111.646 146.441  87.443
  312   2HH1  ARG  52          2HH1      ARG  52 111.127 145.955  85.850
  313   1HH2  ARG  52          1HH2      ARG  52 110.865 149.238  84.580
  314   2HH2  ARG  52          2HH2      ARG  52 110.603 147.533  84.270
  315    H    GLN  53           H        GLN  53 107.846 151.397  86.508
  316    HA   GLN  53           HA       GLN  53 110.341 152.180  85.237
  317   1HB   GLN  53          1HB       GLN  53 107.411 152.720  84.599
  318   2HB   GLN  53          2HB       GLN  53 108.788 153.134  83.566
  319   1HG   GLN  53          2HG       GLN  53 109.441 150.724  83.490
  320   2HG   GLN  53          1HG       GLN  53 107.993 150.316  84.425
  321   1HE2  GLN  53          2HE2      GLN  53 105.883 151.427  83.417
  322   2HE2  GLN  53          1HE2      GLN  53 105.719 151.194  81.689
  Start of MODEL    7
    1   1H    ASN  12          1H        ASN  12  96.275 140.263 105.618
    2   2H    ASN  12          2H        ASN  12  96.773 138.788 106.114
    3   3H    ASN  12          3H        ASN  12  95.511 139.537 106.888
    4    HA   ASN  12           HA       ASN  12  96.954 141.287 107.609
    5   1HB   ASN  12          2HB       ASN  12  98.135 140.190 109.374
    6   2HB   ASN  12          1HB       ASN  12  96.519 139.520 109.160
    7   1HD2  ASN  12          1HD2      ASN  12  96.269 137.544 107.901
    8   2HD2  ASN  12          2HD2      ASN  12  97.656 136.591 107.489
    9    H    VAL  13           H        VAL  13  99.418 141.391 108.336
   10    HA   VAL  13           HA       VAL  13 101.186 142.145 106.409
   11    HB   VAL  13           HB       VAL  13 102.064 142.382 108.544
   12   1HG1  VAL  13          1HG2      VAL  13 102.304 140.542 110.211
   13   2HG1  VAL  13          2HG2      VAL  13 100.621 140.899 109.820
   14   3HG1  VAL  13          3HG2      VAL  13 101.418 139.472 109.111
   15   1HG2  VAL  13          1HG1      VAL  13 104.125 141.084 108.800
   16   2HG2  VAL  13          2HG1      VAL  13 103.901 141.362 107.070
   17   3HG2  VAL  13          3HG1      VAL  13 103.524 139.787 107.791
   18    H    LYS  14           H        LYS  14 102.443 141.266 104.853
   19    HA   LYS  14           HA       LYS  14 103.149 138.490 104.980
   20   1HB   LYS  14          2HB       LYS  14 102.348 137.613 103.019
   21   2HB   LYS  14          1HB       LYS  14 101.004 138.520 103.561
   22   1HG   LYS  14          1HG       LYS  14 102.472 140.266 101.944
   23   2HG   LYS  14          2HG       LYS  14 102.505 138.745 101.100
   24   1HD   LYS  14          2HD       LYS  14 100.013 140.216 102.088
   25   2HD   LYS  14          1HD       LYS  14 100.596 140.202 100.421
   26   1HE   LYS  14          1HE       LYS  14  99.559 137.777 101.972
   27   2HE   LYS  14          2HE       LYS  14  98.711 138.667 100.706
   28   1HZ   LYS  14          1HZ       LYS  14 100.455 138.014  99.184
   29   2HZ   LYS  14          2HZ       LYS  14  99.684 136.714  99.838
   30   3HZ   LYS  14          3HZ       LYS  14 101.186 137.118 100.360
   31    H    CYS  15           H        CYS  15 104.484 137.969 103.142
   32    HA   CYS  15           HA       CYS  15 106.758 139.813 103.284
   33   1HB   CYS  15          2HB       CYS  15 106.927 137.596 104.058
   34   2HB   CYS  15          1HB       CYS  15 106.219 136.887 102.688
   35    H    PHE  16           H        PHE  16 108.201 139.685 101.235
   36    HA   PHE  16           HA       PHE  16 106.603 140.187  98.737
   37   1HB   PHE  16          2HB       PHE  16 109.097 141.670  99.630
   38   2HB   PHE  16          1HB       PHE  16 108.134 141.968  98.193
   39    HD1  PHE  16           HD1      PHE  16 108.594 142.772 101.688
   40    HD2  PHE  16           HD2      PHE  16 105.649 142.672  98.536
   41    HE1  PHE  16           HE1      PHE  16 107.080 144.178 103.053
   42    HE2  PHE  16           HE2      PHE  16 104.147 144.094  99.905
   43    HZ   PHE  16           HZ       PHE  16 104.850 144.828 102.173
   44    H    ASN  17           H        ASN  17 109.757 139.462 100.078
   45    HA   ASN  17           HA       ASN  17 111.259 138.241  98.145
   46   1HB   ASN  17          2HB       ASN  17 111.928 138.730 100.466
   47   2HB   ASN  17          1HB       ASN  17 110.740 137.621 101.065
   48   1HD2  ASN  17          2HD2      ASN  17 110.949 135.286 100.168
   49   2HD2  ASN  17          1HD2      ASN  17 112.521 134.664 100.549
   50    H    CYS  18           H        CYS  18 108.595 136.827  99.963
   51    HA   CYS  18           HA       CYS  18 108.226 134.686  97.945
   52   1HB   CYS  18          2HB       CYS  18 107.904 132.990  99.368
   53   2HB   CYS  18          1HB       CYS  18 109.392 133.748  99.917
   54    H    GLY  19           H        GLY  19 106.729 136.784 100.487
   55   1HA   GLY  19          1HA       GLY  19 104.611 137.575 100.782
   56   2HA   GLY  19          2HA       GLY  19 104.270 137.151  99.108
   57    H    LYS  20           H        LYS  20 105.098 135.294 102.039
   58    HA   LYS  20           HA       LYS  20 102.293 134.254 102.170
   59   1HB   LYS  20          2HB       LYS  20 104.525 133.100 103.825
   60   2HB   LYS  20          1HB       LYS  20 102.968 132.475 103.552
   61   1HG   LYS  20          1HG       LYS  20 103.555 132.191 101.133
   62   2HG   LYS  20          2HG       LYS  20 105.064 132.934 101.504
   63   1HD   LYS  20          1HD       LYS  20 105.485 130.536 101.412
   64   2HD   LYS  20          2HD       LYS  20 105.696 131.104 103.062
   65   1HE   LYS  20          1HE       LYS  20 104.479 128.971 103.014
   66   2HE   LYS  20          2HE       LYS  20 103.471 130.247 103.702
   67   1HZ   LYS  20          1HZ       LYS  20 102.284 128.881 102.147
   68   2HZ   LYS  20          2HZ       LYS  20 102.368 130.426 101.587
   69   3HZ   LYS  20          3HZ       LYS  20 103.332 129.258 100.934
   70    H    GLU  21           H        GLU  21 101.355 134.450 104.061
   71    HA   GLU  21           HA       GLU  21 101.772 136.994 105.181
   72   1HB   GLU  21          1HB       GLU  21  99.812 134.837 105.945
   73   2HB   GLU  21          2HB       GLU  21  99.795 136.476 106.628
   74   1HG   GLU  21          2HG       GLU  21  99.501 137.473 104.506
   75   2HG   GLU  21          1HG       GLU  21  99.629 135.933 103.670
   76    H    GLY  22           H        GLY  22 101.608 137.414 107.500
   77   1HA   GLY  22          1HA       GLY  22 102.177 137.331 109.725
   78   2HA   GLY  22          2HA       GLY  22 102.475 135.604 109.564
   79    H    HIS  23           H        HIS  23 104.183 137.545 107.289
   80    HA   HIS  23           HA       HIS  23 106.333 138.318 108.985
   81   1HB   HIS  23          2HB       HIS  23 108.091 136.933 108.311
   82   2HB   HIS  23          1HB       HIS  23 106.921 135.872 108.927
   83    HD1  HIS  23           HD1      HIS  23 105.339 134.735 106.677
   84    HD2  HIS  23           HD2      HIS  23 109.104 136.347 105.994
   85    HE1  HIS  23           HE1      HIS  23 106.234 133.758 104.520
   86    H    THR  24           H        THR  24 108.156 139.106 107.822
   87    HA   THR  24           HA       THR  24 107.356 140.483 105.292
   88    HB   THR  24           HB       THR  24 109.022 142.201 105.973
   89    HG1  THR  24           HG1      THR  24 109.950 141.905 108.107
   90   1HG2  THR  24          1HG2      THR  24 106.717 142.397 106.856
   91   2HG2  THR  24          2HG2      THR  24 107.950 143.104 107.927
   92   3HG2  THR  24          3HG2      THR  24 107.226 141.532 108.331
   93    H    ALA  25           H        ALA  25 109.170 141.140 103.901
   94    HA   ALA  25           HA       ALA  25 110.832 139.015 102.984
   95   1HB   ALA  25          1HB       ALA  25 111.034 142.029 102.602
   96   2HB   ALA  25          2HB       ALA  25 111.937 140.819 101.667
   97   3HB   ALA  25          3HB       ALA  25 110.166 140.882 101.562
   98    H    ARG  26           H        ARG  26 111.252 141.299 105.638
   99    HA   ARG  26           HA       ARG  26 114.159 141.109 105.745
  100   1HB   ARG  26          1HB       ARG  26 112.195 141.831 107.959
  101   2HB   ARG  26          2HB       ARG  26 113.913 142.208 107.899
  102   1HG   ARG  26          2HG       ARG  26 111.824 143.309 105.948
  103   2HG   ARG  26          1HG       ARG  26 112.375 144.101 107.415
  104   1HD   ARG  26          1HD       ARG  26 114.668 144.216 106.588
  105   2HD   ARG  26          2HD       ARG  26 114.258 143.303 105.137
  106    HE   ARG  26           HE       ARG  26 113.764 146.120 105.696
  107   1HH1  ARG  26          1HH2      ARG  26 112.746 143.368 103.694
  108   2HH1  ARG  26          2HH2      ARG  26 112.129 144.372 102.407
  109   1HH2  ARG  26          2HH1      ARG  26 112.938 147.422 104.008
  110   2HH2  ARG  26          1HH1      ARG  26 112.228 146.688 102.594
  111    H    ASN  27           H        ASN  27 111.393 139.657 107.412
  112    HA   ASN  27           HA       ASN  27 112.918 138.010 109.213
  113   1HB   ASN  27          1HB       ASN  27 110.038 137.865 108.290
  114   2HB   ASN  27          2HB       ASN  27 110.689 137.017 109.705
  115   1HD2  ASN  27          1HD2      ASN  27 108.509 138.532 110.147
  116   2HD2  ASN  27          2HD2      ASN  27 108.923 140.033 110.949
  117    H    CYS  28           H        CYS  28 111.474 137.526 106.044
  118    HA   CYS  28           HA       CYS  28 111.151 134.796 105.909
  119   1HB   CYS  28          2HB       CYS  28 110.429 136.575 104.205
  120   2HB   CYS  28          1HB       CYS  28 112.021 136.604 103.671
  121    H    ARG  29           H        ARG  29 112.225 133.086 105.382
  122    HA   ARG  29           HA       ARG  29 115.019 133.158 104.441
  123   1HB   ARG  29          1HB       ARG  29 115.636 131.301 105.900
  124   2HB   ARG  29          2HB       ARG  29 115.333 132.844 106.722
  125   1HG   ARG  29          2HG       ARG  29 113.152 132.210 107.378
  126   2HG   ARG  29          1HG       ARG  29 113.190 130.748 106.398
  127   1HD   ARG  29          2HD       ARG  29 114.922 131.319 108.852
  128   2HD   ARG  29          1HD       ARG  29 113.535 130.226 108.832
  129    HE   ARG  29           HE       ARG  29 116.236 129.692 107.959
  130   1HH1  ARG  29          1HH2      ARG  29 112.866 128.786 107.296
  131   2HH1  ARG  29          2HH2      ARG  29 113.290 127.256 106.574
  132   1HH2  ARG  29          1HH1      ARG  29 116.774 127.689 107.009
  133   2HH2  ARG  29          2HH1      ARG  29 115.524 126.629 106.415
  134    H    ALA  30           H        ALA  30 112.838 132.989 102.928
  135    HA   ALA  30           HA       ALA  30 112.768 130.165 101.918
  136   1HB   ALA  30          1HB       ALA  30 110.509 130.584 101.090
  137   2HB   ALA  30          2HB       ALA  30 110.620 132.295 101.481
  138   3HB   ALA  30          3HB       ALA  30 110.525 131.098 102.788
  139    HA   PRO  31           HA       PRO  31 115.406 133.802  99.694
  140   1HB   PRO  31          1HB       PRO  31 115.173 131.235  98.126
  141   2HB   PRO  31          2HB       PRO  31 116.470 132.472  97.989
  142   1HG   PRO  31          2HG       PRO  31 116.663 130.405  99.798
  143   2HG   PRO  31          1HG       PRO  31 117.254 132.043 100.190
  144   1HD   PRO  31          2HD       PRO  31 115.018 130.634 101.405
  145   2HD   PRO  31          1HD       PRO  31 115.680 132.208 101.860
  146    H    ARG  32           H        ARG  32 115.418 134.520  97.252
  147    HA   ARG  32           HA       ARG  32 112.846 135.851  97.219
  148   1HB   ARG  32          2HB       ARG  32 115.223 136.118  95.325
  149   2HB   ARG  32          1HB       ARG  32 113.814 137.148  95.349
  150   1HG   ARG  32          2HG       ARG  32 115.416 138.392  96.389
  151   2HG   ARG  32          1HG       ARG  32 114.372 137.850  97.702
  152   1HD   ARG  32          2HD       ARG  32 116.855 136.223  97.083
  153   2HD   ARG  32          1HD       ARG  32 117.055 137.825  97.813
  154    HE   ARG  32           HE       ARG  32 115.047 136.433  99.242
  155   1HH1  ARG  32          1HH2      ARG  32 118.573 136.395  98.837
  156   2HH1  ARG  32          2HH2      ARG  32 118.877 135.969 100.501
  157   1HH2  ARG  32          1HH1      ARG  32 115.442 135.957 101.393
  158   2HH2  ARG  32          2HH1      ARG  32 117.068 135.682 101.975
  159    H    LYS  33           H        LYS  33 111.663 136.147  95.250
  160    HA   LYS  33           HA       LYS  33 111.159 133.539  93.997
  161   1HB   LYS  33          2HB       LYS  33 108.989 134.306  93.499
  162   2HB   LYS  33          1HB       LYS  33 109.361 134.561  95.199
  163   1HG   LYS  33          1HG       LYS  33 109.634 137.002  94.743
  164   2HG   LYS  33          2HG       LYS  33 109.231 136.698  93.032
  165   1HD   LYS  33          2HD       LYS  33 107.093 135.563  93.840
  166   2HD   LYS  33          1HD       LYS  33 107.459 136.137  95.471
  167   1HE   LYS  33          2HE       LYS  33 107.037 137.890  93.010
  168   2HE   LYS  33          1HE       LYS  33 105.794 137.528  94.216
  169   1HZ   LYS  33          1HZ       LYS  33 107.106 138.609  95.867
  170   2HZ   LYS  33          2HZ       LYS  33 106.879 139.647  94.601
  171   3HZ   LYS  33          3HZ       LYS  33 108.322 138.888  94.813
  172    H    LYS  34           H        LYS  34 110.386 133.460  91.802
  173    HA   LYS  34           HA       LYS  34 112.513 134.485  90.111
  174   1HB   LYS  34          2HB       LYS  34 110.346 132.420  89.538
  175   2HB   LYS  34          1HB       LYS  34 111.780 132.746  88.551
  176   1HG   LYS  34          1HG       LYS  34 113.159 132.221  90.630
  177   2HG   LYS  34          2HG       LYS  34 111.680 131.594  91.376
  178   1HD   LYS  34          2HD       LYS  34 111.403 129.991  89.497
  179   2HD   LYS  34          1HD       LYS  34 112.908 130.593  88.768
  180   1HE   LYS  34          1HE       LYS  34 114.168 129.902  90.800
  181   2HE   LYS  34          2HE       LYS  34 112.667 129.289  91.522
  182   1HZ   LYS  34          1HZ       LYS  34 113.902 128.304  89.045
  183   2HZ   LYS  34          2HZ       LYS  34 112.507 127.735  89.716
  184   3HZ   LYS  34          3HZ       LYS  34 113.938 127.555  90.512
  185    H    GLY  35           H        GLY  35 109.246 134.543  90.222
  186   1HA   GLY  35          1HA       GLY  35 108.487 136.028  87.830
  187   2HA   GLY  35          2HA       GLY  35 107.519 135.943  89.299
  188    H    CYS  36           H        CYS  36 107.326 138.245  88.230
  189    HA   CYS  36           HA       CYS  36 109.287 140.216  88.843
  190   1HB   CYS  36          1HB       CYS  36 107.013 140.641  87.535
  191   2HB   CYS  36          2HB       CYS  36 106.322 140.820  88.966
  192    H    TRP  37           H        TRP  37 110.058 140.747  90.771
  193    HA   TRP  37           HA       TRP  37 109.108 139.765  93.213
  194   1HB   TRP  37          1HB       TRP  37 111.390 140.824  92.404
  195   2HB   TRP  37          2HB       TRP  37 110.727 142.307  93.075
  196    HD1  TRP  37           HD1      TRP  37 111.967 138.841  93.830
  197    HE1  TRP  37           HE1      TRP  37 112.717 138.669  96.333
  198    HE3  TRP  37           HE3      TRP  37 110.146 143.295  95.559
  199    HZ2  TRP  37           HZ2      TRP  37 112.606 140.296  98.679
  200    HZ3  TRP  37           HZ3      TRP  37 110.479 143.958  97.919
  201    HH2  TRP  37           HH2      TRP  37 111.723 142.481  99.479
  202    H    LYS  38           H        LYS  38 108.224 142.595  91.342
  203    HA   LYS  38           HA       LYS  38 107.049 144.013  93.631
  204   1HB   LYS  38          2HB       LYS  38 108.843 144.909  92.066
  205   2HB   LYS  38          1HB       LYS  38 107.645 145.005  90.793
  206   1HG   LYS  38          1HG       LYS  38 107.384 146.285  93.516
  207   2HG   LYS  38          2HG       LYS  38 108.115 147.072  92.104
  208   1HD   LYS  38          1HD       LYS  38 105.926 146.907  90.909
  209   2HD   LYS  38          2HD       LYS  38 105.181 146.251  92.377
  210   1HE   LYS  38          1HE       LYS  38 106.471 148.991  92.166
  211   2HE   LYS  38          2HE       LYS  38 104.734 148.634  92.173
  212   1HZ   LYS  38          1HZ       LYS  38 106.615 148.109  94.359
  213   2HZ   LYS  38          2HZ       LYS  38 105.489 149.306  94.296
  214   3HZ   LYS  38          3HZ       LYS  38 105.008 147.730  94.371
  215    H    CYS  39           H        CYS  39 106.278 143.428  90.121
  216    HA   CYS  39           HA       CYS  39 103.644 144.577  90.666
  217   1HB   CYS  39          1HB       CYS  39 103.459 145.001  88.468
  218   2HB   CYS  39          2HB       CYS  39 105.195 144.958  88.603
  219    H    GLY  40           H        GLY  40 105.014 141.367  90.416
  220   1HA   GLY  40          1HA       GLY  40 103.950 139.629  91.555
  221   2HA   GLY  40          2HA       GLY  40 102.363 140.344  91.289
  222    H    LYS  41           H        LYS  41 103.560 140.586  88.248
  223    HA   LYS  41           HA       LYS  41 102.419 138.059  87.322
  224   1HB   LYS  41          1HB       LYS  41 104.032 140.232  85.959
  225   2HB   LYS  41          2HB       LYS  41 103.513 138.761  85.134
  226   1HG   LYS  41          1HG       LYS  41 101.170 139.241  85.603
  227   2HG   LYS  41          2HG       LYS  41 101.626 140.702  86.473
  228   1HD   LYS  41          1HD       LYS  41 100.830 141.261  84.229
  229   2HD   LYS  41          2HD       LYS  41 102.529 141.673  84.397
  230   1HE   LYS  41          2HE       LYS  41 102.070 140.676  82.207
  231   2HE   LYS  41          1HE       LYS  41 103.182 139.650  83.111
  232   1HZ   LYS  41          1HZ       LYS  41 100.282 139.231  82.838
  233   2HZ   LYS  41          2HZ       LYS  41 101.455 138.402  82.033
  234   3HZ   LYS  41          3HZ       LYS  41 101.312 138.246  83.666
  235    H    GLU  42           H        GLU  42 103.728 136.694  85.951
  236    HA   GLU  42           HA       GLU  42 106.544 136.306  86.848
  237   1HB   GLU  42          1HB       GLU  42 106.186 133.888  87.038
  238   2HB   GLU  42          2HB       GLU  42 105.171 134.803  88.165
  239   1HG   GLU  42          2HG       GLU  42 103.268 134.619  86.563
  240   2HG   GLU  42          1HG       GLU  42 104.271 133.609  85.508
  241    H    GLY  43           H        GLY  43 104.592 136.846  84.195
  242   1HA   GLY  43          1HA       GLY  43 106.200 135.342  82.249
  243   2HA   GLY  43          2HA       GLY  43 104.954 136.560  81.937
  244    H    HIS  44           H        HIS  44 107.918 136.494  83.834
  245    HA   HIS  44           HA       HIS  44 109.884 137.755  82.714
  246   1HB   HIS  44          2HB       HIS  44 109.791 140.148  83.240
  247   2HB   HIS  44          1HB       HIS  44 108.735 139.713  81.950
  248    HD1  HIS  44           HD1      HIS  44 106.142 140.155  82.457
  249    HD2  HIS  44           HD2      HIS  44 108.523 141.014  85.797
  250    HE1  HIS  44           HE1      HIS  44 104.832 141.535  84.138
  251    H    GLN  45           H        GLN  45 111.385 138.735  84.191
  252    HA   GLN  45           HA       GLN  45 110.917 138.009  87.044
  253   1HB   GLN  45          1HB       GLN  45 113.391 138.155  87.206
  254   2HB   GLN  45          2HB       GLN  45 112.868 136.946  86.063
  255   1HG   GLN  45          2HG       GLN  45 113.311 139.670  84.904
  256   2HG   GLN  45          1HG       GLN  45 114.704 138.876  85.573
  257   1HE2  GLN  45          2HE2      GLN  45 115.759 137.335  84.310
  258   2HE2  GLN  45          1HE2      GLN  45 115.092 136.656  82.840
  259    H    MET  46           H        MET  46 112.552 139.554  88.334
  260    HA   MET  46           HA       MET  46 110.966 141.927  88.593
  261   1HB   MET  46          2HB       MET  46 112.226 142.156  90.659
  262   2HB   MET  46          1HB       MET  46 112.047 140.429  90.366
  263   1HG   MET  46          2HG       MET  46 114.327 140.333  89.424
  264   2HG   MET  46          1HG       MET  46 114.551 142.047  89.793
  265   1HE   MET  46          1HE       MET  46 114.760 142.136  93.663
  266   2HE   MET  46          2HE       MET  46 114.916 143.052  92.148
  267   3HE   MET  46          3HE       MET  46 113.321 142.477  92.686
  268    H    LYS  47           H        LYS  47 114.100 141.227  87.204
  269    HA   LYS  47           HA       LYS  47 115.079 143.899  86.949
  270   1HB   LYS  47          1HB       LYS  47 115.729 141.610  85.043
  271   2HB   LYS  47          2HB       LYS  47 116.710 143.000  85.506
  272   1HG   LYS  47          1HG       LYS  47 116.679 141.945  87.904
  273   2HG   LYS  47          2HG       LYS  47 115.974 140.528  87.131
  274   1HD   LYS  47          2HD       LYS  47 118.277 140.085  87.285
  275   2HD   LYS  47          1HD       LYS  47 117.938 140.412  85.577
  276   1HE   LYS  47          1HE       LYS  47 118.866 142.714  85.844
  277   2HE   LYS  47          2HE       LYS  47 119.115 142.413  87.573
  278   1HZ   LYS  47          1HZ       LYS  47 120.654 140.688  86.971
  279   2HZ   LYS  47          2HZ       LYS  47 121.102 142.126  86.305
  280   3HZ   LYS  47          3HZ       LYS  47 120.404 140.969  85.366
  281    H    ASP  48           H        ASP  48 113.552 141.689  84.677
  282    HA   ASP  48           HA       ASP  48 113.343 143.194  82.375
  283   1HB   ASP  48          2HB       ASP  48 111.841 140.892  83.619
  284   2HB   ASP  48          1HB       ASP  48 111.214 141.573  82.134
  285    H    CYS  49           H        CYS  49 111.035 143.079  85.114
  286    HA   CYS  49           HA       CYS  49 108.832 144.005  83.799
  287   1HB   CYS  49          1HB       CYS  49 108.805 143.090  85.970
  288   2HB   CYS  49          2HB       CYS  49 109.529 144.423  86.689
  289    H    THR  50           H        THR  50 108.232 145.893  82.929
  290    HA   THR  50           HA       THR  50 109.055 148.498  84.100
  291    HB   THR  50           HB       THR  50 109.133 149.415  81.738
  292    HG1  THR  50           HG1      THR  50 109.496 146.681  81.064
  293   1HG2  THR  50          1HG2      THR  50 111.299 147.376  82.405
  294   2HG2  THR  50          2HG2      THR  50 111.443 148.772  81.323
  295   3HG2  THR  50          3HG2      THR  50 111.194 149.024  83.061
  296    H    GLU  51           H        GLU  51 106.936 147.536  85.076
  297    HA   GLU  51           HA       GLU  51 104.572 148.106  83.370
  298   1HB   GLU  51          2HB       GLU  51 105.111 145.786  84.296
  299   2HB   GLU  51          1HB       GLU  51 104.701 146.395  85.895
  300   1HG   GLU  51          1HG       GLU  51 102.448 146.933  85.137
  301   2HG   GLU  51          2HG       GLU  51 102.858 146.477  83.475
  302    H    ARG  52           H        ARG  52 105.295 148.043  86.926
  303    HA   ARG  52           HA       ARG  52 104.704 150.876  87.252
  304   1HB   ARG  52          1HB       ARG  52 103.082 150.168  89.002
  305   2HB   ARG  52          2HB       ARG  52 102.499 149.902  87.360
  306   1HG   ARG  52          2HG       ARG  52 102.946 147.518  87.555
  307   2HG   ARG  52          1HG       ARG  52 103.731 147.727  89.129
  308   1HD   ARG  52          1HD       ARG  52 101.674 148.398  90.179
  309   2HD   ARG  52          2HD       ARG  52 100.823 148.499  88.638
  310    HE   ARG  52           HE       ARG  52 101.364 146.119  90.228
  311   1HH1  ARG  52          1HH1      ARG  52 100.619 147.296  86.957
  312   2HH1  ARG  52          2HH1      ARG  52 100.457 145.687  86.297
  313   1HH2  ARG  52          1HH2      ARG  52 100.959 143.995  89.337
  314   2HH2  ARG  52          2HH2      ARG  52 100.446 143.864  87.674
  315    H    GLN  53           H        GLN  53 107.223 149.367  87.471
  316    HA   GLN  53           HA       GLN  53 107.614 148.605  90.221
  317   1HB   GLN  53          2HB       GLN  53 109.596 149.177  87.983
  318   2HB   GLN  53          1HB       GLN  53 109.965 148.547  89.591
  319   1HG   GLN  53          2HG       GLN  53 108.046 146.766  88.910
  320   2HG   GLN  53          1HG       GLN  53 108.619 147.188  87.290
  321   1HE2  GLN  53          1HE2      GLN  53 111.087 146.999  86.969
  322   2HE2  GLN  53          2HE2      GLN  53 111.890 145.698  87.827
  Start of MODEL    8
    1   1H    ASN  12          1H        ASN  12  96.215 143.808 104.966
    2   2H    ASN  12          2H        ASN  12  97.580 144.742 104.949
    3   3H    ASN  12          3H        ASN  12  97.250 143.750 103.674
    4    HA   ASN  12           HA       ASN  12  97.830 142.830 106.382
    5   1HB   ASN  12          2HB       ASN  12  97.285 141.344 104.022
    6   2HB   ASN  12          1HB       ASN  12  97.918 140.611 105.499
    7   1HD2  ASN  12          2HD2      ASN  12  95.835 139.290 105.166
    8   2HD2  ASN  12          1HD2      ASN  12  94.388 139.926 105.937
    9    H    VAL  13           H        VAL  13  99.980 142.394 106.816
   10    HA   VAL  13           HA       VAL  13 102.077 143.061 104.921
   11    HB   VAL  13           HB       VAL  13 102.790 143.301 107.125
   12   1HG1  VAL  13          1HG2      VAL  13 101.084 142.235 108.418
   13   2HG1  VAL  13          2HG2      VAL  13 102.611 141.472 108.863
   14   3HG1  VAL  13          3HG2      VAL  13 101.496 140.633 107.766
   15   1HG2  VAL  13          1HG1      VAL  13 103.810 140.475 106.526
   16   2HG2  VAL  13          2HG1      VAL  13 104.582 141.695 107.525
   17   3HG2  VAL  13          3HG1      VAL  13 104.470 141.942 105.780
   18    H    LYS  14           H        LYS  14 103.088 141.750 103.517
   19    HA   LYS  14           HA       LYS  14 103.136 138.930 103.897
   20   1HB   LYS  14          2HB       LYS  14 102.294 138.092 101.889
   21   2HB   LYS  14          1HB       LYS  14 101.052 139.148 102.406
   22   1HG   LYS  14          1HG       LYS  14 103.119 139.549 100.280
   23   2HG   LYS  14          2HG       LYS  14 101.380 139.366 100.062
   24   1HD   LYS  14          1HD       LYS  14 100.968 141.589 101.058
   25   2HD   LYS  14          2HD       LYS  14 102.701 141.802 101.348
   26   1HE   LYS  14          2HE       LYS  14 102.096 143.024  99.362
   27   2HE   LYS  14          1HE       LYS  14 103.192 141.695  98.952
   28   1HZ   LYS  14          1HZ       LYS  14 100.269 141.660  98.624
   29   2HZ   LYS  14          2HZ       LYS  14 101.303 140.446  98.202
   30   3HZ   LYS  14          3HZ       LYS  14 101.370 141.892  97.420
   31    H    CYS  15           H        CYS  15 104.396 137.938 102.184
   32    HA   CYS  15           HA       CYS  15 106.934 139.360 102.341
   33   1HB   CYS  15          2HB       CYS  15 106.744 137.252 103.346
   34   2HB   CYS  15          1HB       CYS  15 106.003 136.510 101.991
   35    H    PHE  16           H        PHE  16 108.293 139.797 100.740
   36    HA   PHE  16           HA       PHE  16 107.083 140.312  98.106
   37   1HB   PHE  16          2HB       PHE  16 109.818 140.953  99.249
   38   2HB   PHE  16          1HB       PHE  16 109.192 141.445  97.694
   39    HD1  PHE  16           HD1      PHE  16 107.282 143.066  97.549
   40    HD2  PHE  16           HD2      PHE  16 109.134 142.059 101.312
   41    HE1  PHE  16           HE1      PHE  16 106.213 145.041  98.610
   42    HE2  PHE  16           HE2      PHE  16 108.046 144.019 102.370
   43    HZ   PHE  16           HZ       PHE  16 106.587 145.512 101.023
   44    H    ASN  17           H        ASN  17 109.619 138.429  99.559
   45    HA   ASN  17           HA       ASN  17 110.773 137.057  97.368
   46   1HB   ASN  17          1HB       ASN  17 111.863 137.048  99.495
   47   2HB   ASN  17          2HB       ASN  17 110.450 136.543 100.323
   48   1HD2  ASN  17          1HD2      ASN  17 112.871 135.356 100.812
   49   2HD2  ASN  17          2HD2      ASN  17 112.690 133.689 100.366
   50    H    CYS  18           H        CYS  18 108.576 135.406  99.656
   51    HA   CYS  18           HA       CYS  18 107.771 133.651  97.481
   52   1HB   CYS  18          2HB       CYS  18 107.143 132.120  99.092
   53   2HB   CYS  18          1HB       CYS  18 108.715 132.766  99.546
   54    H    GLY  19           H        GLY  19 106.244 136.185  99.498
   55   1HA   GLY  19          1HA       GLY  19 104.053 137.043  99.542
   56   2HA   GLY  19          2HA       GLY  19 103.802 136.203  98.012
   57    H    LYS  20           H        LYS  20 104.405 135.411 101.412
   58    HA   LYS  20           HA       LYS  20 101.615 134.393 101.673
   59   1HB   LYS  20          2HB       LYS  20 103.817 133.403 103.428
   60   2HB   LYS  20          1HB       LYS  20 102.231 132.788 103.285
   61   1HG   LYS  20          2HG       LYS  20 102.839 132.257 100.818
   62   2HG   LYS  20          1HG       LYS  20 104.469 132.608 101.277
   63   1HD   LYS  20          2HD       LYS  20 104.271 130.230 101.442
   64   2HD   LYS  20          1HD       LYS  20 104.385 130.868 103.079
   65   1HE   LYS  20          2HE       LYS  20 102.696 129.077 102.899
   66   2HE   LYS  20          1HE       LYS  20 101.954 130.592 103.412
   67   1HZ   LYS  20          1HZ       LYS  20 101.214 130.919 101.162
   68   2HZ   LYS  20          2HZ       LYS  20 100.684 129.470 101.733
   69   3HZ   LYS  20          3HZ       LYS  20 101.942 129.523 100.672
   70    H    GLU  21           H        GLU  21 100.671 135.094 103.526
   71    HA   GLU  21           HA       GLU  21 101.542 137.693 104.198
   72   1HB   GLU  21          1HB       GLU  21  99.222 136.108 105.270
   73   2HB   GLU  21          2HB       GLU  21  99.496 137.852 105.513
   74   1HG   GLU  21          1HG       GLU  21  99.244 138.354 103.249
   75   2HG   GLU  21          2HG       GLU  21  99.374 136.683 102.751
   76    H    GLY  22           H        GLY  22 101.527 138.497 106.383
   77   1HA   GLY  22          1HA       GLY  22 101.988 138.571 108.666
   78   2HA   GLY  22          2HA       GLY  22 101.948 136.812 108.714
   79    H    HIS  23           H        HIS  23 104.065 138.083 106.301
   80    HA   HIS  23           HA       HIS  23 106.251 138.697 108.015
   81   1HB   HIS  23          1HB       HIS  23 107.781 136.986 107.581
   82   2HB   HIS  23          2HB       HIS  23 106.435 136.211 108.266
   83    HD1  HIS  23           HD1      HIS  23 104.812 134.937 106.150
   84    HD2  HIS  23           HD2      HIS  23 108.737 136.019 105.405
   85    HE1  HIS  23           HE1      HIS  23 105.642 133.552 104.199
   86    H    THR  24           H        THR  24 108.237 139.012 106.843
   87    HA   THR  24           HA       THR  24 107.759 140.179 104.129
   88    HB   THR  24           HB       THR  24 109.634 141.724 104.726
   89    HG1  THR  24           HG1      THR  24 110.393 141.619 106.893
   90   1HG2  THR  24          1HG2      THR  24 107.550 141.675 106.935
   91   2HG2  THR  24          2HG2      THR  24 107.327 142.388 105.314
   92   3HG2  THR  24          3HG2      THR  24 108.554 143.050 106.420
   93    H    ALA  25           H        ALA  25 109.797 140.430 102.833
   94    HA   ALA  25           HA       ALA  25 111.167 137.956 102.364
   95   1HB   ALA  25          1HB       ALA  25 112.579 139.313 100.867
   96   2HB   ALA  25          2HB       ALA  25 111.827 140.794 101.511
   97   3HB   ALA  25          3HB       ALA  25 110.850 139.602 100.623
   98    H    ARG  26           H        ARG  26 111.708 140.530 104.690
   99    HA   ARG  26           HA       ARG  26 114.552 140.158 105.084
  100   1HB   ARG  26          2HB       ARG  26 112.482 141.014 107.146
  101   2HB   ARG  26          1HB       ARG  26 114.216 141.345 107.139
  102   1HG   ARG  26          1HG       ARG  26 113.905 142.694 105.086
  103   2HG   ARG  26          2HG       ARG  26 112.155 142.477 105.179
  104   1HD   ARG  26          1HD       ARG  26 113.845 143.794 107.357
  105   2HD   ARG  26          2HD       ARG  26 112.890 144.635 106.143
  106    HE   ARG  26           HE       ARG  26 110.904 144.063 107.144
  107   1HH1  ARG  26          2HH2      ARG  26 113.567 142.530 108.953
  108   2HH1  ARG  26          1HH2      ARG  26 112.540 142.061 110.279
  109   1HH2  ARG  26          1HH1      ARG  26 109.598 143.443 108.901
  110   2HH2  ARG  26          2HH1      ARG  26 110.291 142.588 110.253
  111    H    ASN  27           H        ASN  27 111.593 139.058 106.625
  112    HA   ASN  27           HA       ASN  27 112.761 137.267 108.542
  113   1HB   ASN  27          1HB       ASN  27 109.954 137.363 107.394
  114   2HB   ASN  27          2HB       ASN  27 110.433 136.514 108.870
  115   1HD2  ASN  27          1HD2      ASN  27 108.404 138.056 109.326
  116   2HD2  ASN  27          2HD2      ASN  27 108.830 139.589 110.048
  117    H    CYS  28           H        CYS  28 111.449 136.924 105.280
  118    HA   CYS  28           HA       CYS  28 111.192 134.107 105.281
  119   1HB   CYS  28          1HB       CYS  28 110.214 135.841 103.601
  120   2HB   CYS  28          2HB       CYS  28 111.676 135.735 102.781
  121    H    ARG  29           H        ARG  29 112.767 132.679 105.469
  122    HA   ARG  29           HA       ARG  29 115.250 133.001 103.829
  123   1HB   ARG  29          2HB       ARG  29 114.798 131.747 106.552
  124   2HB   ARG  29          1HB       ARG  29 116.166 131.275 105.508
  125   1HG   ARG  29          2HG       ARG  29 116.901 133.520 105.252
  126   2HG   ARG  29          1HG       ARG  29 115.513 134.197 106.086
  127   1HD   ARG  29          2HD       ARG  29 117.447 132.329 107.499
  128   2HD   ARG  29          1HD       ARG  29 117.678 134.078 107.460
  129    HE   ARG  29           HE       ARG  29 115.781 132.594 109.061
  130   1HH1  ARG  29          2HH2      ARG  29 116.266 135.733 107.463
  131   2HH1  ARG  29          1HH2      ARG  29 115.155 136.581 108.498
  132   1HH2  ARG  29          1HH1      ARG  29 114.350 133.726 110.441
  133   2HH2  ARG  29          2HH1      ARG  29 114.080 135.435 110.221
  134    H    ALA  30           H        ALA  30 113.327 132.640 102.483
  135    HA   ALA  30           HA       ALA  30 113.304 129.754 101.651
  136   1HB   ALA  30          1HB       ALA  30 110.984 130.909 102.095
  137   2HB   ALA  30          2HB       ALA  30 111.406 132.015 100.775
  138   3HB   ALA  30          3HB       ALA  30 111.188 130.309 100.432
  139    HA   PRO  31           HA       PRO  31 116.157 133.466  99.733
  140   1HB   PRO  31          1HB       PRO  31 116.152 130.973  98.048
  141   2HB   PRO  31          2HB       PRO  31 117.436 132.219  98.143
  142   1HG   PRO  31          2HG       PRO  31 117.431 130.053  99.866
  143   2HG   PRO  31          1HG       PRO  31 117.996 131.668 100.373
  144   1HD   PRO  31          2HD       PRO  31 115.663 130.241 101.320
  145   2HD   PRO  31          1HD       PRO  31 116.258 131.792 101.888
  146    H    ARG  32           H        ARG  32 116.209 134.478  97.435
  147    HA   ARG  32           HA       ARG  32 113.405 135.264  97.261
  148   1HB   ARG  32          2HB       ARG  32 115.774 136.411  95.799
  149   2HB   ARG  32          1HB       ARG  32 114.140 137.025  95.783
  150   1HG   ARG  32          2HG       ARG  32 115.111 138.370  97.341
  151   2HG   ARG  32          1HG       ARG  32 114.180 137.217  98.297
  152   1HD   ARG  32          1HD       ARG  32 116.337 136.037  98.874
  153   2HD   ARG  32          2HD       ARG  32 117.198 137.194  97.857
  154    HE   ARG  32           HE       ARG  32 117.057 138.771  99.512
  155   1HH1  ARG  32          2HH1      ARG  32 114.798 136.136 100.332
  156   2HH1  ARG  32          1HH1      ARG  32 114.403 136.819 101.897
  157   1HH2  ARG  32          2HH2      ARG  32 116.477 139.633 101.574
  158   2HH2  ARG  32          1HH2      ARG  32 115.299 138.795 102.560
  159    H    LYS  33           H        LYS  33 112.303 135.418  95.366
  160    HA   LYS  33           HA       LYS  33 112.456 132.990  93.748
  161   1HB   LYS  33          1HB       LYS  33 110.283 135.066  94.213
  162   2HB   LYS  33          2HB       LYS  33 110.008 133.502  93.469
  163   1HG   LYS  33          1HG       LYS  33 110.868 134.015  96.319
  164   2HG   LYS  33          2HG       LYS  33 109.361 133.363  95.721
  165   1HD   LYS  33          2HD       LYS  33 110.791 131.399  94.770
  166   2HD   LYS  33          1HD       LYS  33 112.097 132.052  95.786
  167   1HE   LYS  33          2HE       LYS  33 110.432 131.883  97.753
  168   2HE   LYS  33          1HE       LYS  33 109.427 130.909  96.669
  169   1HZ   LYS  33          1HZ       LYS  33 111.376 129.454  96.426
  170   2HZ   LYS  33          2HZ       LYS  33 112.181 130.361  97.551
  171   3HZ   LYS  33          3HZ       LYS  33 110.826 129.536  97.977
  172    H    LYS  34           H        LYS  34 111.224 133.125  91.636
  173    HA   LYS  34           HA       LYS  34 113.075 134.460  89.852
  174   1HB   LYS  34          1HB       LYS  34 112.272 132.914  88.179
  175   2HB   LYS  34          2HB       LYS  34 112.617 132.058  89.691
  176   1HG   LYS  34          2HG       LYS  34 110.247 131.910  90.232
  177   2HG   LYS  34          1HG       LYS  34 109.800 132.772  88.759
  178   1HD   LYS  34          1HD       LYS  34 111.293 130.137  88.781
  179   2HD   LYS  34          2HD       LYS  34 109.539 130.297  88.660
  180   1HE   LYS  34          1HE       LYS  34 111.550 131.378  86.635
  181   2HE   LYS  34          2HE       LYS  34 110.531 129.946  86.459
  182   1HZ   LYS  34          1HZ       LYS  34 109.576 131.774  85.331
  183   2HZ   LYS  34          2HZ       LYS  34 109.570 132.709  86.680
  184   3HZ   LYS  34          3HZ       LYS  34 108.591 131.390  86.590
  185    H    GLY  35           H        GLY  35 109.847 134.239  90.342
  186   1HA   GLY  35          1HA       GLY  35 108.826 136.032  88.272
  187   2HA   GLY  35          2HA       GLY  35 107.882 135.449  89.651
  188    H    CYS  36           H        CYS  36 107.274 137.843  89.147
  189    HA   CYS  36           HA       CYS  36 109.136 139.858  89.909
  190   1HB   CYS  36          1HB       CYS  36 107.318 140.364  88.378
  191   2HB   CYS  36          2HB       CYS  36 106.147 140.291  89.497
  192    H    TRP  37           H        TRP  37 109.935 139.528  91.807
  193    HA   TRP  37           HA       TRP  37 109.017 139.093  94.329
  194   1HB   TRP  37          1HB       TRP  37 111.323 139.541  93.335
  195   2HB   TRP  37          2HB       TRP  37 110.960 141.268  93.458
  196    HD1  TRP  37           HD1      TRP  37 111.955 138.230  95.346
  197    HE1  TRP  37           HE1      TRP  37 112.801 138.894  97.744
  198    HE3  TRP  37           HE3      TRP  37 110.546 143.142  95.382
  199    HZ2  TRP  37           HZ2      TRP  37 112.894 141.258  99.349
  200    HZ3  TRP  37           HZ3      TRP  37 111.006 144.568  97.351
  201    HH2  TRP  37           HH2      TRP  37 112.176 143.642  99.335
  202    H    LYS  38           H        LYS  38 108.446 141.899  92.311
  203    HA   LYS  38           HA       LYS  38 107.838 143.750  94.490
  204   1HB   LYS  38          1HB       LYS  38 109.211 144.271  92.429
  205   2HB   LYS  38          2HB       LYS  38 107.793 144.052  91.459
  206   1HG   LYS  38          1HG       LYS  38 108.012 146.332  91.682
  207   2HG   LYS  38          2HG       LYS  38 106.601 145.861  92.630
  208   1HD   LYS  38          2HD       LYS  38 108.022 146.020  94.708
  209   2HD   LYS  38          1HD       LYS  38 109.349 146.640  93.709
  210   1HE   LYS  38          2HE       LYS  38 106.558 147.876  93.965
  211   2HE   LYS  38          1HE       LYS  38 107.993 148.444  94.827
  212   1HZ   LYS  38          1HZ       LYS  38 108.963 149.089  92.798
  213   2HZ   LYS  38          2HZ       LYS  38 107.783 148.387  91.892
  214   3HZ   LYS  38          3HZ       LYS  38 107.423 149.692  92.810
  215    H    CYS  39           H        CYS  39 106.253 142.283  91.591
  216    HA   CYS  39           HA       CYS  39 103.636 143.317  92.647
  217   1HB   CYS  39          2HB       CYS  39 103.151 144.455  90.793
  218   2HB   CYS  39          1HB       CYS  39 104.882 144.594  90.702
  219    H    GLY  40           H        GLY  40 105.311 140.542  91.325
  220   1HA   GLY  40          1HA       GLY  40 104.280 138.547  92.143
  221   2HA   GLY  40          2HA       GLY  40 102.702 139.066  91.587
  222    H    LYS  41           H        LYS  41 103.817 139.885  88.878
  223    HA   LYS  41           HA       LYS  41 103.095 137.287  87.759
  224   1HB   LYS  41          1HB       LYS  41 104.052 139.780  86.391
  225   2HB   LYS  41          2HB       LYS  41 103.474 138.388  85.546
  226   1HG   LYS  41          2HG       LYS  41 101.735 139.872  85.480
  227   2HG   LYS  41          1HG       LYS  41 101.245 138.602  86.598
  228   1HD   LYS  41          1HD       LYS  41 101.530 140.062  88.524
  229   2HD   LYS  41          2HD       LYS  41 102.423 141.239  87.539
  230   1HE   LYS  41          1HE       LYS  41 100.200 142.099  87.931
  231   2HE   LYS  41          2HE       LYS  41 100.390 141.686  86.216
  232   1HZ   LYS  41          1HZ       LYS  41  98.313 140.989  87.010
  233   2HZ   LYS  41          2HZ       LYS  41  98.982 140.073  88.213
  234   3HZ   LYS  41          3HZ       LYS  41  99.207 139.659  86.629
  235    H    GLU  42           H        GLU  42 104.311 136.183  86.191
  236    HA   GLU  42           HA       GLU  42 107.264 136.256  86.699
  237   1HB   GLU  42          2HB       GLU  42 107.448 133.956  86.714
  238   2HB   GLU  42          1HB       GLU  42 106.156 134.375  87.843
  239   1HG   GLU  42          1HG       GLU  42 104.466 133.732  86.144
  240   2HG   GLU  42          2HG       GLU  42 105.763 133.341  85.003
  241    H    GLY  43           H        GLY  43 104.953 136.682  84.292
  242   1HA   GLY  43          1HA       GLY  43 106.238 135.783  81.945
  243   2HA   GLY  43          2HA       GLY  43 105.271 137.266  82.094
  244    H    HIS  44           H        HIS  44 106.664 138.675  83.931
  245    HA   HIS  44           HA       HIS  44 109.411 139.153  82.841
  246   1HB   HIS  44          2HB       HIS  44 109.234 141.386  83.799
  247   2HB   HIS  44          1HB       HIS  44 108.035 141.117  82.578
  248    HD1  HIS  44           HD1      HIS  44 105.451 141.201  83.484
  249    HD2  HIS  44           HD2      HIS  44 108.256 141.548  86.561
  250    HE1  HIS  44           HE1      HIS  44 104.307 141.835  85.647
  251    H    GLN  45           H        GLN  45 110.842 140.008  84.633
  252    HA   GLN  45           HA       GLN  45 110.426 138.341  87.103
  253   1HB   GLN  45          1HB       GLN  45 112.755 137.938  87.171
  254   2HB   GLN  45          2HB       GLN  45 112.247 137.677  85.505
  255   1HG   GLN  45          2HG       GLN  45 112.863 140.263  85.296
  256   2HG   GLN  45          1HG       GLN  45 113.797 139.951  86.707
  257   1HE2  GLN  45          1HE2      GLN  45 113.519 139.387  83.266
  258   2HE2  GLN  45          2HE2      GLN  45 115.058 138.570  83.051
  259    H    MET  46           H        MET  46 112.238 139.252  88.672
  260    HA   MET  46           HA       MET  46 110.894 141.515  89.841
  261   1HB   MET  46          2HB       MET  46 112.412 141.060  91.761
  262   2HB   MET  46          1HB       MET  46 111.843 139.550  91.056
  263   1HG   MET  46          1HG       MET  46 114.028 139.469  89.732
  264   2HG   MET  46          2HG       MET  46 114.594 140.779  90.769
  265   1HE   MET  46          1HE       MET  46 113.710 140.267  93.618
  266   2HE   MET  46          2HE       MET  46 114.922 139.130  94.243
  267   3HE   MET  46          3HE       MET  46 115.423 140.479  93.199
  268    H    LYS  47           H        LYS  47 114.073 141.103  88.299
  269    HA   LYS  47           HA       LYS  47 115.045 143.732  88.624
  270   1HB   LYS  47          2HB       LYS  47 115.489 141.746  86.344
  271   2HB   LYS  47          1HB       LYS  47 116.497 143.146  86.675
  272   1HG   LYS  47          2HG       LYS  47 116.108 140.703  88.476
  273   2HG   LYS  47          1HG       LYS  47 117.479 141.029  87.442
  274   1HD   LYS  47          2HD       LYS  47 116.617 142.584  89.927
  275   2HD   LYS  47          1HD       LYS  47 118.039 141.558  89.754
  276   1HE   LYS  47          2HE       LYS  47 117.555 144.249  88.392
  277   2HE   LYS  47          1HE       LYS  47 118.703 143.889  89.683
  278   1HZ   LYS  47          1HZ       LYS  47 119.774 143.968  87.574
  279   2HZ   LYS  47          2HZ       LYS  47 119.863 142.438  88.178
  280   3HZ   LYS  47          3HZ       LYS  47 118.802 142.787  86.965
  281    H    ASP  48           H        ASP  48 113.401 142.224  85.882
  282    HA   ASP  48           HA       ASP  48 113.175 144.340  84.105
  283   1HB   ASP  48          1HB       ASP  48 111.194 142.119  84.756
  284   2HB   ASP  48          2HB       ASP  48 111.026 143.163  83.354
  285    H    CYS  49           H        CYS  49 110.918 143.507  86.779
  286    HA   CYS  49           HA       CYS  49 108.855 145.151  85.940
  287   1HB   CYS  49          2HB       CYS  49 108.803 143.322  87.570
  288   2HB   CYS  49          1HB       CYS  49 109.270 144.459  88.806
  289    H    THR  50           H        THR  50 108.170 147.127  86.506
  290    HA   THR  50           HA       THR  50 109.736 149.018  88.216
  291    HB   THR  50           HB       THR  50 107.884 150.588  87.260
  292    HG1  THR  50           HG1      THR  50 107.004 149.887  85.304
  293   1HG2  THR  50          1HG2      THR  50 110.229 150.742  86.556
  294   2HG2  THR  50          2HG2      THR  50 109.998 149.425  85.390
  295   3HG2  THR  50          3HG2      THR  50 109.155 150.973  85.163
  296    H    GLU  51           H        GLU  51 106.307 148.611  87.514
  297    HA   GLU  51           HA       GLU  51 105.585 146.770  89.532
  298   1HB   GLU  51          2HB       GLU  51 103.965 148.546  90.427
  299   2HB   GLU  51          1HB       GLU  51 105.601 148.313  91.043
  300   1HG   GLU  51          2HG       GLU  51 106.255 150.385  89.619
  301   2HG   GLU  51          1HG       GLU  51 104.530 150.559  89.276
  302    H    ARG  52           H        ARG  52 105.577 147.019  86.677
  303    HA   ARG  52           HA       ARG  52 102.778 147.393  85.870
  304   1HB   ARG  52          1HB       ARG  52 103.682 147.295  83.652
  305   2HB   ARG  52          2HB       ARG  52 104.624 148.449  84.596
  306   1HG   ARG  52          1HG       ARG  52 106.397 146.677  84.892
  307   2HG   ARG  52          2HG       ARG  52 105.435 145.585  83.885
  308   1HD   ARG  52          2HD       ARG  52 105.542 147.211  82.020
  309   2HD   ARG  52          1HD       ARG  52 106.579 148.266  82.989
  310    HE   ARG  52           HE       ARG  52 107.281 145.821  81.585
  311   1HH1  ARG  52          2HH1      ARG  52 108.241 147.886  84.341
  312   2HH1  ARG  52          1HH1      ARG  52 109.852 147.200  84.403
  313   1HH2  ARG  52          2HH2      ARG  52 109.426 145.008  81.695
  314   2HH2  ARG  52          1HH2      ARG  52 110.515 145.607  82.926
  315    H    GLN  53           H        GLN  53 101.877 145.707  84.380
  316    HA   GLN  53           HA       GLN  53 102.133 143.053  85.508
  317   1HB   GLN  53          2HB       GLN  53 100.491 144.107  83.160
  318   2HB   GLN  53          1HB       GLN  53 100.338 142.536  83.950
  319   1HG   GLN  53          2HG       GLN  53 100.000 143.986  86.150
  320   2HG   GLN  53          1HG       GLN  53  99.596 145.271  85.012
  321   1HE2  GLN  53          1HE2      GLN  53  97.841 144.743  83.374
  322   2HE2  GLN  53          2HE2      GLN  53  96.545 143.681  83.885
  Start of MODEL    9
    1   1H    ASN  12          1H        ASN  12  95.662 140.670 104.367
    2   2H    ASN  12          2H        ASN  12  96.968 139.895 103.693
    3   3H    ASN  12          3H        ASN  12  96.642 141.443 103.284
    4    HA   ASN  12           HA       ASN  12  97.128 142.227 105.432
    5   1HB   ASN  12          2HB       ASN  12  97.969 140.866 107.221
    6   2HB   ASN  12          1HB       ASN  12  96.337 140.400 106.746
    7   1HD2  ASN  12          1HD2      ASN  12  96.050 138.568 105.305
    8   2HD2  ASN  12          2HD2      ASN  12  97.379 137.512 104.957
    9    H    VAL  13           H        VAL  13  99.468 142.033 106.482
   10    HA   VAL  13           HA       VAL  13 101.545 142.749 104.856
   11    HB   VAL  13           HB       VAL  13 102.161 142.782 107.090
   12   1HG1  VAL  13          1HG2      VAL  13 100.414 141.444 108.088
   13   2HG1  VAL  13          2HG2      VAL  13 101.971 140.826 108.647
   14   3HG1  VAL  13          3HG2      VAL  13 101.094 139.960 107.371
   15   1HG2  VAL  13          1HG1      VAL  13 104.059 141.613 105.822
   16   2HG2  VAL  13          2HG1      VAL  13 103.405 140.067 106.393
   17   3HG2  VAL  13          3HG1      VAL  13 104.003 141.238 107.549
   18    H    LYS  14           H        LYS  14 102.907 141.838 103.399
   19    HA   LYS  14           HA       LYS  14 103.270 138.980 103.455
   20   1HB   LYS  14          1HB       LYS  14 102.550 138.307 101.418
   21   2HB   LYS  14          2HB       LYS  14 101.406 139.577 101.601
   22   1HG   LYS  14          2HG       LYS  14 103.846 139.666  99.952
   23   2HG   LYS  14          1HG       LYS  14 102.168 139.685  99.460
   24   1HD   LYS  14          2HD       LYS  14 101.788 141.903 100.197
   25   2HD   LYS  14          1HD       LYS  14 103.301 141.997 101.094
   26   1HE   LYS  14          2HE       LYS  14 103.112 141.734  98.068
   27   2HE   LYS  14          1HE       LYS  14 103.403 143.239  98.958
   28   1HZ   LYS  14          1HZ       LYS  14 105.174 140.884  98.985
   29   2HZ   LYS  14          2HZ       LYS  14 105.411 142.279  99.827
   30   3HZ   LYS  14          3HZ       LYS  14 105.435 142.299  98.186
   31    H    CYS  15           H        CYS  15 104.710 138.266 101.920
   32    HA   CYS  15           HA       CYS  15 107.257 139.628 102.413
   33   1HB   CYS  15          1HB       CYS  15 106.816 137.402 103.316
   34   2HB   CYS  15          2HB       CYS  15 106.325 136.785 101.805
   35    H    PHE  16           H        PHE  16 108.796 139.900 100.830
   36    HA   PHE  16           HA       PHE  16 107.718 140.363  98.080
   37   1HB   PHE  16          2HB       PHE  16 110.131 141.418  99.587
   38   2HB   PHE  16          1HB       PHE  16 109.757 141.732  97.911
   39    HD1  PHE  16           HD1      PHE  16 108.523 142.187 101.421
   40    HD2  PHE  16           HD2      PHE  16 108.098 143.399  97.302
   41    HE1  PHE  16           HE1      PHE  16 106.938 143.961 102.101
   42    HE2  PHE  16           HE2      PHE  16 106.545 145.198  97.994
   43    HZ   PHE  16           HZ       PHE  16 105.949 145.475 100.394
   44    H    ASN  17           H        ASN  17 110.202 138.807  99.904
   45    HA   ASN  17           HA       ASN  17 111.772 137.468  97.980
   46   1HB   ASN  17          1HB       ASN  17 112.393 137.739 100.346
   47   2HB   ASN  17          2HB       ASN  17 110.963 136.917 100.841
   48   1HD2  ASN  17          2HD2      ASN  17 110.669 134.634  99.877
   49   2HD2  ASN  17          1HD2      ASN  17 112.030 133.643 100.307
   50    H    CYS  18           H        CYS  18 108.654 136.546  99.493
   51    HA   CYS  18           HA       CYS  18 108.275 134.432  97.437
   52   1HB   CYS  18          1HB       CYS  18 107.652 132.788  98.809
   53   2HB   CYS  18          2HB       CYS  18 109.179 133.362  99.444
   54    H    GLY  19           H        GLY  19 106.740 136.691  99.772
   55   1HA   GLY  19          1HA       GLY  19 104.655 137.236 100.305
   56   2HA   GLY  19          2HA       GLY  19 104.228 137.267  98.634
   57    H    LYS  20           H        LYS  20 104.776 135.180 101.406
   58    HA   LYS  20           HA       LYS  20 102.469 133.455 100.755
   59   1HB   LYS  20          2HB       LYS  20 104.900 133.480 102.540
   60   2HB   LYS  20          1HB       LYS  20 103.539 132.648 103.225
   61   1HG   LYS  20          2HG       LYS  20 104.019 131.870 100.437
   62   2HG   LYS  20          1HG       LYS  20 105.484 131.742 101.394
   63   1HD   LYS  20          2HD       LYS  20 104.622 129.648 101.682
   64   2HD   LYS  20          1HD       LYS  20 104.131 130.431 103.165
   65   1HE   LYS  20          1HE       LYS  20 102.305 130.188 100.713
   66   2HE   LYS  20          2HE       LYS  20 102.355 128.996 102.019
   67   1HZ   LYS  20          1HZ       LYS  20 101.692 130.674 103.553
   68   2HZ   LYS  20          2HZ       LYS  20 100.597 130.545 102.333
   69   3HZ   LYS  20          3HZ       LYS  20 101.633 131.820 102.378
   70    H    GLU  21           H        GLU  21 102.783 135.999 101.999
   71    HA   GLU  21           HA       GLU  21 101.871 137.511 103.442
   72   1HB   GLU  21          1HB       GLU  21  99.665 135.493 103.611
   73   2HB   GLU  21          2HB       GLU  21  99.600 137.030 104.469
   74   1HG   GLU  21          2HG       GLU  21 100.006 138.212 102.345
   75   2HG   GLU  21          1HG       GLU  21  99.908 136.684 101.485
   76    H    GLY  22           H        GLY  22 101.256 137.900 105.675
   77   1HA   GLY  22          1HA       GLY  22 101.387 137.743 107.968
   78   2HA   GLY  22          2HA       GLY  22 101.579 136.003 107.808
   79    H    HIS  23           H        HIS  23 103.847 137.791 105.986
   80    HA   HIS  23           HA       HIS  23 105.709 138.420 108.027
   81   1HB   HIS  23          1HB       HIS  23 107.438 136.848 107.714
   82   2HB   HIS  23          2HB       HIS  23 106.094 135.940 108.201
   83    HD1  HIS  23           HD1      HIS  23 104.884 134.480 106.086
   84    HD2  HIS  23           HD2      HIS  23 108.685 136.050 105.545
   85    HE1  HIS  23           HE1      HIS  23 106.052 133.169 104.251
   86    H    THR  24           H        THR  24 107.867 138.870 107.117
   87    HA   THR  24           HA       THR  24 107.619 140.252 104.487
   88    HB   THR  24           HB       THR  24 109.358 141.773 105.406
   89    HG1  THR  24           HG1      THR  24 109.902 141.438 107.656
   90   1HG2  THR  24          1HG2      THR  24 106.979 142.266 105.896
   91   2HG2  THR  24          2HG2      THR  24 108.098 142.855 107.147
   92   3HG2  THR  24          3HG2      THR  24 107.134 141.392 107.443
   93    H    ALA  25           H        ALA  25 109.708 140.649 103.385
   94    HA   ALA  25           HA       ALA  25 111.208 138.313 102.757
   95   1HB   ALA  25          1HB       ALA  25 111.887 141.261 102.408
   96   2HB   ALA  25          2HB       ALA  25 111.026 140.223 101.251
   97   3HB   ALA  25          3HB       ALA  25 112.728 139.904 101.629
   98    H    ARG  26           H        ARG  26 111.472 140.563 105.459
   99    HA   ARG  26           HA       ARG  26 114.284 140.088 105.996
  100   1HB   ARG  26          1HB       ARG  26 112.141 140.982 107.978
  101   2HB   ARG  26          2HB       ARG  26 113.891 141.206 108.059
  102   1HG   ARG  26          1HG       ARG  26 113.636 142.516 105.847
  103   2HG   ARG  26          2HG       ARG  26 111.897 142.511 106.155
  104   1HD   ARG  26          2HD       ARG  26 112.778 144.588 106.984
  105   2HD   ARG  26          1HD       ARG  26 112.284 143.588 108.367
  106    HE   ARG  26           HE       ARG  26 115.044 143.132 107.783
  107   1HH1  ARG  26          2HH1      ARG  26 112.938 145.656 109.117
  108   2HH1  ARG  26          1HH1      ARG  26 114.187 146.353 110.115
  109   1HH2  ARG  26          2HH2      ARG  26 116.678 144.049 109.099
  110   2HH2  ARG  26          1HH2      ARG  26 116.329 145.433 110.102
  111    H    ASN  27           H        ASN  27 111.202 138.886 107.184
  112    HA   ASN  27           HA       ASN  27 112.248 137.075 109.168
  113   1HB   ASN  27          2HB       ASN  27 109.561 137.175 107.775
  114   2HB   ASN  27          1HB       ASN  27 109.901 136.274 109.262
  115   1HD2  ASN  27          2HD2      ASN  27 107.811 137.824 109.529
  116   2HD2  ASN  27          1HD2      ASN  27 108.164 139.325 110.352
  117    H    CYS  28           H        CYS  28 111.231 136.771 105.806
  118    HA   CYS  28           HA       CYS  28 110.737 134.042 105.636
  119   1HB   CYS  28          2HB       CYS  28 110.198 135.872 103.929
  120   2HB   CYS  28          1HB       CYS  28 111.794 135.823 103.457
  121    H    ARG  29           H        ARG  29 111.746 132.305 105.078
  122    HA   ARG  29           HA       ARG  29 114.569 132.250 104.276
  123   1HB   ARG  29          2HB       ARG  29 115.085 130.368 105.751
  124   2HB   ARG  29          1HB       ARG  29 114.835 131.933 106.548
  125   1HG   ARG  29          2HG       ARG  29 112.560 131.342 107.125
  126   2HG   ARG  29          1HG       ARG  29 112.702 129.829 106.222
  127   1HD   ARG  29          1HD       ARG  29 112.934 129.374 108.629
  128   2HD   ARG  29          2HD       ARG  29 114.473 129.056 107.799
  129    HE   ARG  29           HE       ARG  29 114.407 131.759 108.735
  130   1HH1  ARG  29          1HH2      ARG  29 114.694 128.456 109.994
  131   2HH1  ARG  29          2HH2      ARG  29 115.602 128.934 111.405
  132   1HH2  ARG  29          2HH1      ARG  29 115.600 132.379 110.585
  133   2HH2  ARG  29          1HH1      ARG  29 116.119 131.183 111.743
  134    H    ALA  30           H        ALA  30 112.481 132.215 102.685
  135    HA   ALA  30           HA       ALA  30 112.287 129.417 101.629
  136   1HB   ALA  30          1HB       ALA  30 110.045 130.578 102.266
  137   2HB   ALA  30          2HB       ALA  30 110.405 131.749 100.982
  138   3HB   ALA  30          3HB       ALA  30 110.165 130.059 100.573
  139    HA   PRO  31           HA       PRO  31 115.411 132.881  99.777
  140   1HB   PRO  31          2HB       PRO  31 115.087 130.423  98.054
  141   2HB   PRO  31          1HB       PRO  31 116.498 131.533  98.100
  142   1HG   PRO  31          2HG       PRO  31 116.319 129.365  99.804
  143   2HG   PRO  31          1HG       PRO  31 117.055 130.906 100.320
  144   1HD   PRO  31          1HD       PRO  31 114.607 129.711 101.314
  145   2HD   PRO  31          2HD       PRO  31 115.375 131.197 101.869
  146    H    ARG  32           H        ARG  32 115.651 133.841  97.462
  147    HA   ARG  32           HA       ARG  32 113.080 135.205  97.308
  148   1HB   ARG  32          2HB       ARG  32 115.662 135.758  95.801
  149   2HB   ARG  32          1HB       ARG  32 114.233 136.770  95.828
  150   1HG   ARG  32          2HG       ARG  32 115.676 137.810  97.272
  151   2HG   ARG  32          1HG       ARG  32 114.482 137.042  98.320
  152   1HD   ARG  32          2HD       ARG  32 116.085 135.387  99.059
  153   2HD   ARG  32          1HD       ARG  32 117.155 135.737  97.696
  154    HE   ARG  32           HE       ARG  32 118.106 137.456  98.806
  155   1HH1  ARG  32          2HH2      ARG  32 115.125 136.635 100.567
  156   2HH1  ARG  32          1HH2      ARG  32 115.480 137.701 101.900
  157   1HH2  ARG  32          2HH1      ARG  32 118.550 138.835 100.558
  158   2HH2  ARG  32          1HH1      ARG  32 117.434 138.951 101.894
  159    H    LYS  33           H        LYS  33 112.138 135.770  95.328
  160    HA   LYS  33           HA       LYS  33 111.661 133.365  93.729
  161   1HB   LYS  33          2HB       LYS  33 109.578 134.423  93.118
  162   2HB   LYS  33          1HB       LYS  33 109.791 134.344  94.866
  163   1HG   LYS  33          1HG       LYS  33 110.409 136.760  94.887
  164   2HG   LYS  33          2HG       LYS  33 110.198 136.829  93.132
  165   1HD   LYS  33          1HD       LYS  33 108.037 136.129  95.184
  166   2HD   LYS  33          2HD       LYS  33 108.247 137.681  94.373
  167   1HE   LYS  33          1HE       LYS  33 108.047 136.290  92.153
  168   2HE   LYS  33          2HE       LYS  33 107.325 135.039  93.184
  169   1HZ   LYS  33          1HZ       LYS  33 106.408 137.813  92.885
  170   2HZ   LYS  33          2HZ       LYS  33 105.688 136.492  92.219
  171   3HZ   LYS  33          3HZ       LYS  33 105.698 136.678  93.855
  172    H    LYS  34           H        LYS  34 111.026 133.528  91.535
  173    HA   LYS  34           HA       LYS  34 113.042 134.887  89.914
  174   1HB   LYS  34          1HB       LYS  34 110.993 132.752  89.175
  175   2HB   LYS  34          2HB       LYS  34 112.325 133.328  88.158
  176   1HG   LYS  34          2HG       LYS  34 113.890 132.627  90.033
  177   2HG   LYS  34          1HG       LYS  34 112.519 131.801  90.795
  178   1HD   LYS  34          1HD       LYS  34 112.168 130.479  88.704
  179   2HD   LYS  34          2HD       LYS  34 113.616 131.219  88.002
  180   1HE   LYS  34          1HE       LYS  34 113.527 129.514  90.540
  181   2HE   LYS  34          2HE       LYS  34 114.059 128.963  88.943
  182   1HZ   LYS  34          1HZ       LYS  34 115.340 131.070  90.537
  183   2HZ   LYS  34          2HZ       LYS  34 115.816 130.584  89.035
  184   3HZ   LYS  34          3HZ       LYS  34 115.903 129.541  90.307
  185    H    GLY  35           H        GLY  35 109.800 134.623  90.251
  186   1HA   GLY  35          1HA       GLY  35 108.661 136.455  88.267
  187   2HA   GLY  35          2HA       GLY  35 107.906 135.972  89.782
  188    H    CYS  36           H        CYS  36 107.358 138.400  89.312
  189    HA   CYS  36           HA       CYS  36 109.306 140.346  89.996
  190   1HB   CYS  36          1HB       CYS  36 106.886 140.925  89.112
  191   2HB   CYS  36          2HB       CYS  36 106.401 140.840  90.662
  192    H    TRP  37           H        TRP  37 110.335 140.598  91.773
  193    HA   TRP  37           HA       TRP  37 109.710 139.541  94.358
  194   1HB   TRP  37          1HB       TRP  37 111.935 140.172  93.203
  195   2HB   TRP  37          2HB       TRP  37 111.566 141.844  93.646
  196    HD1  TRP  37           HD1      TRP  37 112.666 138.533  94.865
  197    HE1  TRP  37           HE1      TRP  37 113.552 138.679  97.339
  198    HE3  TRP  37           HE3      TRP  37 111.358 143.349  95.917
  199    HZ2  TRP  37           HZ2      TRP  37 113.572 140.610  99.440
  200    HZ3  TRP  37           HZ3      TRP  37 111.840 144.332  98.139
  201    HH2  TRP  37           HH2      TRP  37 112.925 142.972  99.911
  202    H    LYS  38           H        LYS  38 109.038 142.518  92.613
  203    HA   LYS  38           HA       LYS  38 108.680 144.157  94.956
  204   1HB   LYS  38          1HB       LYS  38 109.765 144.728  92.675
  205   2HB   LYS  38          2HB       LYS  38 108.145 144.886  92.049
  206   1HG   LYS  38          2HG       LYS  38 108.924 147.036  92.617
  207   2HG   LYS  38          1HG       LYS  38 107.654 146.636  93.786
  208   1HD   LYS  38          1HD       LYS  38 109.344 146.181  95.510
  209   2HD   LYS  38          2HD       LYS  38 110.652 146.325  94.313
  210   1HE   LYS  38          1HE       LYS  38 110.078 148.710  93.972
  211   2HE   LYS  38          2HE       LYS  38 108.741 148.562  95.131
  212   1HZ   LYS  38          1HZ       LYS  38 110.347 148.039  96.819
  213   2HZ   LYS  38          2HZ       LYS  38 111.589 148.176  95.744
  214   3HZ   LYS  38          3HZ       LYS  38 110.684 149.497  96.131
  215    H    CYS  39           H        CYS  39 106.556 143.237  92.141
  216    HA   CYS  39           HA       CYS  39 104.279 144.400  93.676
  217   1HB   CYS  39          2HB       CYS  39 103.265 144.982  91.668
  218   2HB   CYS  39          1HB       CYS  39 104.940 145.446  91.495
  219    H    GLY  40           H        GLY  40 105.642 141.395  92.476
  220   1HA   GLY  40          1HA       GLY  40 104.971 139.444  93.621
  221   2HA   GLY  40          2HA       GLY  40 103.338 140.054  93.831
  222    H    LYS  41           H        LYS  41 103.777 140.819  90.718
  223    HA   LYS  41           HA       LYS  41 102.460 138.560  89.520
  224   1HB   LYS  41          1HB       LYS  41 104.055 140.913  88.455
  225   2HB   LYS  41          2HB       LYS  41 103.374 139.715  87.378
  226   1HG   LYS  41          1HG       LYS  41 102.037 141.742  87.540
  227   2HG   LYS  41          2HG       LYS  41 101.144 140.257  87.869
  228   1HD   LYS  41          1HD       LYS  41 100.940 140.735  90.173
  229   2HD   LYS  41          2HD       LYS  41 102.212 141.953  90.149
  230   1HE   LYS  41          2HE       LYS  41 100.004 142.976  90.362
  231   2HE   LYS  41          1HE       LYS  41 100.880 143.521  88.929
  232   1HZ   LYS  41          1HZ       LYS  41  98.575 143.051  88.515
  233   2HZ   LYS  41          2HZ       LYS  41  98.793 141.458  88.887
  234   3HZ   LYS  41          3HZ       LYS  41  99.558 142.135  87.581
  235    H    GLU  42           H        GLU  42 103.596 137.508  87.579
  236    HA   GLU  42           HA       GLU  42 106.480 136.998  87.967
  237   1HB   GLU  42          2HB       GLU  42 106.237 134.570  88.062
  238   2HB   GLU  42          1HB       GLU  42 105.419 135.372  89.411
  239   1HG   GLU  42          2HG       GLU  42 103.261 135.178  88.179
  240   2HG   GLU  42          1HG       GLU  42 104.083 134.264  86.904
  241    H    GLY  43           H        GLY  43 104.024 137.557  85.711
  242   1HA   GLY  43          1HA       GLY  43 104.993 136.177  83.441
  243   2HA   GLY  43          2HA       GLY  43 104.170 137.746  83.463
  244    H    HIS  44           H        HIS  44 106.016 139.111  85.119
  245    HA   HIS  44           HA       HIS  44 108.551 139.222  83.534
  246   1HB   HIS  44          1HB       HIS  44 108.754 141.523  84.382
  247   2HB   HIS  44          2HB       HIS  44 107.379 141.295  83.333
  248    HD1  HIS  44           HD1      HIS  44 105.059 141.920  84.362
  249    HD2  HIS  44           HD2      HIS  44 108.002 141.708  87.319
  250    HE1  HIS  44           HE1      HIS  44 104.213 143.005  86.508
  251    H    GLN  45           H        GLN  45 110.358 140.035  84.866
  252    HA   GLN  45           HA       GLN  45 110.454 138.671  87.517
  253   1HB   GLN  45          1HB       GLN  45 112.795 138.455  87.274
  254   2HB   GLN  45          2HB       GLN  45 112.101 137.988  85.727
  255   1HG   GLN  45          1HG       GLN  45 112.471 140.411  85.022
  256   2HG   GLN  45          2HG       GLN  45 113.491 140.583  86.417
  257   1HE2  GLN  45          2HE2      GLN  45 114.063 140.533  83.391
  258   2HE2  GLN  45          1HE2      GLN  45 115.366 139.369  83.233
  259    H    MET  46           H        MET  46 112.498 139.919  88.620
  260    HA   MET  46           HA       MET  46 111.048 142.100  89.858
  261   1HB   MET  46          2HB       MET  46 112.686 141.832  91.641
  262   2HB   MET  46          1HB       MET  46 112.352 140.242  90.980
  263   1HG   MET  46          2HG       MET  46 114.409 140.372  89.596
  264   2HG   MET  46          1HG       MET  46 114.801 141.921  90.353
  265   1HE   MET  46          1HE       MET  46 114.177 141.603  93.420
  266   2HE   MET  46          2HE       MET  46 115.700 142.237  92.754
  267   3HE   MET  46          3HE       MET  46 115.727 140.959  93.990
  268    H    LYS  47           H        LYS  47 113.952 141.850  87.866
  269    HA   LYS  47           HA       LYS  47 114.796 144.550  87.964
  270   1HB   LYS  47          1HB       LYS  47 115.136 142.795  85.511
  271   2HB   LYS  47          2HB       LYS  47 116.218 144.012  86.194
  272   1HG   LYS  47          1HG       LYS  47 116.355 142.318  88.225
  273   2HG   LYS  47          2HG       LYS  47 115.712 141.149  87.078
  274   1HD   LYS  47          2HD       LYS  47 118.241 142.795  86.656
  275   2HD   LYS  47          1HD       LYS  47 118.181 141.107  87.193
  276   1HE   LYS  47          1HE       LYS  47 117.057 140.458  85.076
  277   2HE   LYS  47          2HE       LYS  47 117.144 142.137  84.507
  278   1HZ   LYS  47          1HZ       LYS  47 119.518 141.992  84.626
  279   2HZ   LYS  47          2HZ       LYS  47 119.440 140.429  85.146
  280   3HZ   LYS  47          3HZ       LYS  47 118.907 140.824  83.639
  281    H    ASP  48           H        ASP  48 112.922 142.782  85.560
  282    HA   ASP  48           HA       ASP  48 112.349 144.646  83.626
  283   1HB   ASP  48          2HB       ASP  48 110.956 142.205  84.761
  284   2HB   ASP  48          1HB       ASP  48 110.142 143.113  83.511
  285    H    CYS  49           H        CYS  49 110.537 144.018  86.597
  286    HA   CYS  49           HA       CYS  49 108.113 144.957  85.987
  287   1HB   CYS  49          2HB       CYS  49 108.584 143.807  87.960
  288   2HB   CYS  49          1HB       CYS  49 109.545 145.052  88.642
  289    H    THR  50           H        THR  50 107.242 146.672  85.329
  290    HA   THR  50           HA       THR  50 107.554 149.226  86.800
  291    HB   THR  50           HB       THR  50 106.964 150.423  84.729
  292    HG1  THR  50           HG1      THR  50 107.019 149.334  82.783
  293   1HG2  THR  50          1HG2      THR  50 109.464 148.708  84.367
  294   2HG2  THR  50          2HG2      THR  50 109.129 150.275  83.608
  295   3HG2  THR  50          3HG2      THR  50 109.357 150.174  85.364
  296    H    GLU  51           H        GLU  51 105.838 146.531  86.681
  297    HA   GLU  51           HA       GLU  51 103.975 145.693  86.869
  298   1HB   GLU  51          1HB       GLU  51 104.194 146.894  88.989
  299   2HB   GLU  51          2HB       GLU  51 103.176 148.185  88.376
  300   1HG   GLU  51          1HG       GLU  51 101.406 146.485  87.912
  301   2HG   GLU  51          2HG       GLU  51 102.448 145.221  88.544
  302    H    ARG  52           H        ARG  52 104.344 146.149  84.570
  303    HA   ARG  52           HA       ARG  52 102.292 147.512  83.057
  304   1HB   ARG  52          2HB       ARG  52 103.946 145.055  82.299
  305   2HB   ARG  52          1HB       ARG  52 103.105 146.168  81.220
  306   1HG   ARG  52          2HG       ARG  52 104.689 147.980  81.940
  307   2HG   ARG  52          1HG       ARG  52 105.506 146.781  82.965
  308   1HD   ARG  52          1HD       ARG  52 105.836 145.364  80.841
  309   2HD   ARG  52          2HD       ARG  52 105.277 146.769  79.932
  310    HE   ARG  52           HE       ARG  52 107.314 147.777  80.233
  311   1HH1  ARG  52          2HH2      ARG  52 107.051 145.113  82.588
  312   2HH1  ARG  52          1HH2      ARG  52 108.673 145.360  83.203
  313   1HH2  ARG  52          1HH1      ARG  52 109.468 148.021  81.066
  314   2HH2  ARG  52          2HH1      ARG  52 110.005 146.982  82.369
  315    H    GLN  53           H        GLN  53 102.949 144.178  84.046
  316    HA   GLN  53           HA       GLN  53 100.284 143.151  83.402
  317   1HB   GLN  53          2HB       GLN  53 102.770 141.869  84.618
  318   2HB   GLN  53          1HB       GLN  53 101.340 141.021  84.022
  319   1HG   GLN  53          2HG       GLN  53 101.795 141.806  81.728
  320   2HG   GLN  53          1HG       GLN  53 103.203 142.716  82.289
  321   1HE2  GLN  53          2HE2      GLN  53 102.098 139.603  81.264
  322   2HE2  GLN  53          1HE2      GLN  53 103.605 138.756  81.534