*HEADER    TRANSCRIPTION REGULATION                10-OCT-97   1AW6      
*TITLE     GAL4 (CD), NMR, 24 STRUCTURES                                 
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: GAL4 (CD);                                         
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: DNA-BINDING DOMAIN;                                
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;               
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: XA-90                              
*KEYWDS    TRANSCRIPTION REGULATION, DNA-BINDING                         
*EXPDTA    NMR, 24 STRUCTURES                                            
*AUTHOR    J.D.BALEJA,G.WAGNER                                           
*REVDAT   1   12-OCT-04 1AW6    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
!
#NOE_distance
1:ASP-_12:HN       1:ARG+_39:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:ASP-_12:N        1:ARG+_39:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:ARG+_15:HN       1:CYSH_11:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:ARG+_15:N        1:CYSH_11:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:LEU_16:HN        1:ASP-_12:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:LEU_16:N         1:ASP-_12:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:ILE_13:O          1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:LYS+_17:N        1:ILE_13:O          2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:LYS+_18:HN       1:ARG+_15:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:LYS+_18:N        1:ARG+_15:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:LEU_19:HN        1:CYSH_14:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:LEU_19:N         1:CYSH_14:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:CYSH_28:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:LEU_32:N         1:CYSH_28:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ALA_29:O          1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:LYS+_33:N        1:ALA_29:O          2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:ASN_34:HN        1:LYS+_30:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:ASN_34:N         1:LYS+_30:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:ASN_35:HN        1:LEU_32:O          1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:ASN_35:N         1:LEU_32:O          2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:TRP_36:HN        1:CYSH_31:O         1.900  2.500  2.800  1.00  1.00 1000.000  0.00
1:TRP_36:N         1:CYSH_31:O         2.700  3.500  2.800  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_21:SG        2.000  2.800  2.800  1.00  1.00 1000.000  0.00
1:CYSH_11:N        1:CYSH_21:SG        3.000  4.000  2.800  1.00  1.00 1000.000  0.00
1:CYSH_14:HN       1:CYSH_11:SG        2.000  2.800  2.800  1.00  1.00 1000.000  0.00
1:CYSH_14:N        1:CYSH_11:SG        3.000  4.000  2.800  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_38:SG        2.000  2.800  2.800  1.00  1.00 1000.000  0.00
1:CYSH_28:N        1:CYSH_38:SG        3.000  4.000  2.800  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:CYSH_28:SG        2.000  2.800  2.800  1.00  1.00 1000.000  0.00
1:CYSH_31:N        1:CYSH_28:SG        3.000  4.000  2.800  1.00  1.00 1000.000  0.00
1:CYSH_11:CB       1:METH_70:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:CB       1:METH_70:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_21:CB       1:METH_70:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:CB       1:METH_70:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:CB       1:METH_80:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:CB       1:METH_80:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:CB       1:METH_80:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_38:CB       1:METH_80:H         3.250  3.750  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:SG       1:METH_70:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:SG       1:METH_70:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_21:SG       1:METH_70:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:SG       1:METH_70:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:SG       1:METH_80:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:SG       1:METH_80:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:SG       1:METH_80:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_38:SG       1:METH_80:H         2.450  2.550  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:SG       1:CYSH_14:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:SG       1:CYSH_21:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:SG       1:CYSH_28:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:SG       1:CYSH_31:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:SG       1:CYSH_38:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:SG       1:CYSH_21:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:SG       1:CYSH_28:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_21:SG       1:CYSH_28:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:SG       1:CYSH_31:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:SG       1:CYSH_38:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:SG       1:CYSH_38:SG        3.600  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:SG       1:CYSH_31:SG        5.500  7.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:SG       1:CYSH_38:SG        5.500  7.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_21:SG       1:CYSH_31:SG        5.500  7.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_21:SG       1:CYSH_38:SG        5.500  7.500  3.400  1.00  1.00 1000.000  0.00
1:SER_6:HN         1:ILE_7:HN          1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:SER_6:HA         1:ILE_7:HN          1.800  3.000  3.400  1.00  1.00 1000.000  0.00
1:SER_6:HB*        1:ILE_7:HN          1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HA          2.700  3.100  4.090  1.00  1.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:CG1         4.140  6.500  4.590  1.00  1.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:CG2         3.600  5.800  4.000  1.00  1.00 1000.000  0.00
1:ILE_7:HN         1:GLU-_8:HN         1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_7:HA         1:GLU-_8:HN         2.300  3.100  3.400  1.00  1.00 1000.000  0.00
1:ILE_7:HB         1:GLU-_8:HA         1.800  5.700  3.400  1.00  1.00 1000.000  0.00
1:ILE_7:CG1        1:GLU-_8:HA         1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:GLU-_8:HN        1:GLU-_8:HA         2.700  3.500  3.400  1.00  1.00 1000.000  0.00
1:GLU-_8:HN        1:GLN_9:HN          1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_8:HA        1:GLN_9:HG*         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_8:HB*       1:GLN_9:HN          1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HN         1:GLN_9:HA          2.200  2.900  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HA         1:ALA_10:HN         2.040  2.710  2.260  1.00  1.00 1000.000  0.00
1:GLN_9:HA         1:ALA_10:HB*        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HA         1:TYR_40:CG         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HB*        1:ALA_10:HN         1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HB*        1:TYR_40:CG         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HG*        1:ALA_10:HN         1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HG*        1:TYR_40:CG         1.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HG*        1:TYR_40:CZ         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:GLN_9:HG*        1:GLN_9:HE21        2.520  3.340  2.790  1.00  1.00 1000.000  0.00
1:GLN_9:HG*        1:GLN_9:HE22        3.400  4.530  3.780  1.00  1.00 1000.000  0.00
1:ALA_10:HN        1:ALA_10:HB*        2.100  3.800  3.800  1.00  1.00 1000.000  0.00
1:ALA_10:HN        1:CYSH_11:HN        1.800  4.200  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:CYSH_11:HN        2.320  3.090  2.580  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:CYSH_11:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:CYSH_11:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:CYSH_14:HBS       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:CYSH_14:HBR       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:CYSH_21:HB*       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:LYS+_23:HB*       1.800  6.200  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:LYS+_23:HG*       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:LYS+_23:HE*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:TYR_40:CG         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HA        1:TYR_40:CZ         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HB*       1:CYSH_11:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HB*       1:CYSH_14:HBS       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HB*       1:CYSH_14:HBR       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HB*       1:LYS+_23:HE*       1.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:ALA_10:HB*       1:CYSH_11:HN        2.230  3.960  2.470  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_11:HA        2.340  3.120  2.600  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:ASP-_12:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_14:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_14:HBS       1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_14:HBR       1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_21:HB*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_11:HBS       2.270  3.620  2.520  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:CYSH_11:HBR       2.150  2.860  2.390  1.00  1.00 1000.000  0.00
1:CYSH_11:HN       1:TYR_40:CZ         3.100  5.900  4.500  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:ASP-_12:HB*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:TYR_40:HA         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:TYR_40:HB*        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:SER_41:HN         1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:ASP-_12:HN        2.250  2.900  4.500  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:TYR_40:HN         3.100  4.500  4.500  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:TYR_40:CG         2.700  5.400  4.500  1.00  1.00 1000.000  0.00
1:CYSH_11:HA       1:TYR_40:CZ         3.100  5.800  4.500  1.00  1.00 1000.000  0.00
1:CYSH_11:HBR      1:ASP-_12:HN        2.440  3.650  2.710  1.00  1.00 1000.000  0.00
1:CYSH_11:HBS      1:ASP-_12:HN        2.290  3.040  2.540  1.00  1.00 1000.000  0.00
1:CYSH_11:HBR      1:ASP-_12:HB*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBS      1:ASP-_12:HB*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBR      1:ILE_13:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBS      1:ILE_13:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBR      1:CYSH_14:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBS      1:CYSH_14:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBR      1:TYR_40:HA         1.800  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBS      1:TYR_40:HA         1.800  4.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBR      1:TYR_40:CG         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBS      1:TYR_40:CG         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_11:HBS      1:ARG+_39:HN        2.430  3.240  2.700  1.00  1.00 1000.000  0.00
1:CYSH_11:HBR      1:TYR_40:CZ         2.900  5.500  4.500  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ASP-_12:HA        2.600  3.300  4.500  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ASP-_12:HB*       2.190  3.910  2.430  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ILE_13:HN         2.600  3.480  2.900  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ARG+_39:HN        2.620  3.370  2.920  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ARG+_39:HA        2.600  4.300  2.880  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ARG+_39:HB*       2.970  4.930  3.290  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ARG+_39:HG*       3.810  6.070  4.230  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ILE_13:HA         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ILE_13:HG1*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ILE_13:CG2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:ILE_13:CD1        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:CYSH_14:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:LEU_16:CG         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:TYR_40:HA         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:TYR_40:CG         1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HN       1:TYR_40:CZ         1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HA       1:ILE_13:HN         3.400  5.120  4.280  1.00  1.00 1000.000  0.00
1:ASP-_12:HA       1:CYSH_14:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HA       1:ARG+_15:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HA       1:ARG+_15:HB*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HA       1:ARG+_15:HD*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HA       1:LEU_16:HD*        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:ARG+_39:HN        2.520  4.360  2.800  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:ILE_13:HN         2.320  4.070  2.570  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:ILE_13:HA         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:ILE_13:HG1*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:ILE_13:CG2        1.800  7.200  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:CYSH_14:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:ARG+_15:HN        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:LEU_16:HB*        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:LEU_16:CG         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:ARG+_39:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:TYR_40:HN         1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:ASP-_12:HB*      1:TYR_40:HA         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HN        1:ARG+_15:HD*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HN        1:CYSH_14:HN        2.430  3.240  2.700  1.00  1.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:HA         2.400  3.000  4.500  1.00  1.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:HB         2.040  2.700  2.260  1.00  1.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:CG2        2.900  4.500  4.500  1.00  1.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:HG1*       1.300  6.300  4.410  1.00  1.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:CD1        1.470  4.210  2.690  1.00  1.00 1000.000  0.00
1:ILE_13:HA        1:CYSH_14:HN        2.430  3.440  2.700  1.00  1.00 1000.000  0.00
1:ILE_13:HA        1:ARG+_15:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HA        1:LEU_16:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HA        1:LEU_16:HB*        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HA        1:LEU_16:CG         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HA        1:LYS+_17:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HB        1:CYSH_14:HN        2.330  3.080  2.580  1.00  1.00 1000.000  0.00
1:ILE_13:HG1*      1:TRP_36:HD1        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HG1*      1:CYSH_38:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:HG1*      1:CYSH_14:HN        2.700  5.000  4.500  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:CYSH_14:HA        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:ARG+_15:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LYS+_17:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LYS+_17:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LYS+_17:HB*       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LYS+_17:HG*       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LYS+_17:HE*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LEU_19:CDS        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LEU_19:CDR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:CYSH_14:HN        2.600  4.300  4.500  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:LYS+_30:HG*       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:CYSH_31:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HA         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HBR        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HBS        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HD1        1.800  6.800  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HH2        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HZ2        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HE3        2.500  4.200  4.500  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:TRP_36:HZ3        3.300  5.200  4.500  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:CYSH_38:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CG2       1:ARG+_39:HN        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:CYSH_14:HN        2.800  5.340  3.120  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:LEU_16:HA         1.800  7.700  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:LYS+_17:HN        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:LYS+_17:HA        1.800  7.300  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:LYS+_17:HE*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:LEU_19:CDS        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:LEU_19:CDR        1.800  9.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:CYSH_31:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HA         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HBR        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HBS        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HD1        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HZ3        1.800  6.300  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HH2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HZ2        1.800  6.200  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:CYSH_38:HA        1.800  5.400  3.400  1.00  1.00 1000.000  0.00
1:ILE_13:CD1       1:TRP_36:HE3        2.800  4.500  4.500  1.00  1.00 1000.000  0.00
1:CYSH_14:HN       1:CYSH_14:HA        2.500  3.100  4.500  1.00  1.00 1000.000  0.00
1:CYSH_14:HN       1:CYSH_14:HBS       2.160  2.850  2.390  1.00  1.00 1000.000  0.00
1:CYSH_14:HN       1:CYSH_14:HBR       2.720  3.620  3.020  1.00  1.00 1000.000  0.00
1:CYSH_14:HN       1:ARG+_15:HN        2.300  3.040  2.540  1.00  1.00 1000.000  0.00
1:CYSH_14:HN       1:ARG+_15:HA        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HN       1:CYSH_21:HB*       1.800  6.400  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:ARG+_15:HN        3.150  4.170  3.490  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LYS+_17:HN        3.000  3.600  4.500  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LYS+_17:HB*       1.800  4.100  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LYS+_18:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LEU_19:HN         2.780  3.700  3.080  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LEU_19:HA         1.800  5.300  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LEU_19:HB*        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LEU_19:HG         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LEU_19:CDS        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LEU_19:CDR        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:LYS+_20:HA        1.800  6.200  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HA       1:CYSH_21:HB*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:ARG+_15:HN        2.900  3.500  4.500  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:ARG+_15:HN        3.100  3.700  4.500  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:ARG+_15:HA        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:ARG+_15:HA        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:LYS+_18:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:LYS+_18:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:LEU_19:HB*        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:LEU_19:HB*        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:LEU_19:CDS        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:LEU_19:CDR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:LEU_19:CDS        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:LEU_19:CDR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:CYSH_21:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:CYSH_21:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:CYSH_21:HB*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:CYSH_21:HB*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBS      1:CYSH_21:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_14:HBR      1:CYSH_21:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ARG+_15:HN       1:LEU_16:HN         3.030  4.560  3.810  1.00  1.00 1000.000  0.00
1:ARG+_15:HN       1:ARG+_15:HA        2.500  3.330  2.780  1.00  1.00 1000.000  0.00
1:ARG+_15:HN       1:ARG+_15:HB*       2.400  4.200  4.500  1.00  1.00 1000.000  0.00
1:ARG+_15:HA       1:LEU_16:HN         1.800  3.500  3.400  1.00  1.00 1000.000  0.00
1:ARG+_15:HA       1:LYS+_18:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ARG+_15:HA       1:LYS+_18:HG*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ARG+_15:HA       1:LEU_19:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ARG+_15:HB*      1:LEU_16:HN         2.400  4.000  4.500  1.00  1.00 1000.000  0.00
1:ARG+_15:HG*      1:LEU_16:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ARG+_15:HD*      1:LYS+_17:HN        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_16:HN        1:LEU_16:HA         2.300  2.900  4.500  1.00  1.00 1000.000  0.00
1:LEU_16:HN        1:LYS+_17:HN        2.300  2.900  4.500  1.00  1.00 1000.000  0.00
1:LEU_16:HN        1:LYS+_18:HN        2.500  3.600  4.500  1.00  1.00 1000.000  0.00
1:LEU_16:HA        1:LYS+_17:HN        3.160  4.210  3.510  1.00  1.00 1000.000  0.00
1:LEU_16:HA        1:LYS+_18:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_16:HA        1:LYS+_18:HG*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_16:HB*       1:LYS+_17:HN        2.370  4.150  2.630  1.00  1.00 1000.000  0.00
1:LEU_16:HG        1:LYS+_17:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_16:HG        1:LYS+_18:HN        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_16:HD*       1:LYS+_17:HN        3.150  5.170  3.490  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:LYS+_17:HA        2.210  2.930  2.450  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:LYS+_17:HB*       2.030  3.690  2.250  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:LYS+_18:HN        2.250  3.000  2.500  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:LEU_19:HN         1.800  4.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:LEU_19:HG         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:LEU_19:CDR        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HN       1:LEU_19:CDS        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HA       1:LYS+_18:HN        2.470  3.280  2.740  1.00  1.00 1000.000  0.00
1:LYS+_17:HA       1:LEU_19:CDR        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HA       1:LEU_19:CDS        1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HB*      1:LYS+_18:HN        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HB*      1:LEU_19:CDR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HB*      1:LEU_19:CDS        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HD*      1:TRP_36:HE3        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HD*      1:TRP_36:HZ3        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HD*      1:TRP_36:HH2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HD*      1:TRP_36:HZ2        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HE*      1:LEU_19:CDR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HE*      1:LEU_19:CDS        1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HE*      1:TRP_36:HZ3        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HE*      1:TRP_36:HH2        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_17:HE*      1:TRP_36:HZ2        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_18:HN       1:LYS+_18:HA        2.070  2.730  2.290  1.00  1.00 1000.000  0.00
1:LYS+_18:HN       1:LEU_19:HN         2.200  2.920  2.440  1.00  1.00 1000.000  0.00
1:LYS+_18:HN       1:LEU_19:CDR        1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_18:HN       1:LEU_19:CDS        1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_18:HBS      1:LEU_19:HN         2.900  4.000  3.100  1.00  1.00 1000.000  0.00
1:LYS+_18:HA       1:LEU_19:HN         2.150  2.850  2.390  1.00  1.00 1000.000  0.00
1:LYS+_18:HG*      1:LEU_19:HN         2.700  4.600  3.000  1.00  1.00 1000.000  0.00
1:LEU_19:HN        1:LEU_19:HA         2.670  3.550  2.970  1.00  1.00 1000.000  0.00
1:LEU_19:HN        1:LEU_19:CDS        3.140  5.160  3.480  1.00  1.00 1000.000  0.00
1:LEU_19:HN        1:LEU_19:CDR        2.660  4.540  2.960  1.00  1.00 1000.000  0.00
1:LEU_19:HN        1:LYS+_20:HN        2.400  4.300  4.500  1.00  1.00 1000.000  0.00
1:LEU_19:HA        1:LYS+_20:HN        2.200  3.070  2.490  1.00  1.00 1000.000  0.00
1:LEU_19:HB*       1:LYS+_20:HN        2.100  3.800  4.500  1.00  1.00 1000.000  0.00
1:LEU_19:CDS       1:LYS+_20:HN        2.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_19:CDR       1:LYS+_20:HN        2.470  4.670  3.070  1.00  1.00 1000.000  0.00
1:LEU_19:CDR       1:LYS+_30:HE*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_19:CDS       1:LYS+_30:HE*       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_19:CDR       1:TRP_36:HE3        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_19:CDS       1:TRP_36:HE3        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_19:CDR       1:TRP_36:HH2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_19:CDS       1:TRP_36:HH2        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_19:CDR       1:TRP_36:HZ3        2.800  6.300  4.500  1.00  1.00 1000.000  0.00
1:LEU_19:CDS       1:TRP_36:HZ3        1.800  5.000  4.500  1.00  1.00 1000.000  0.00
1:LYS+_20:HN       1:CYSH_21:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_20:HA       1:LYS+_20:HN        2.680  3.320  2.860  1.00  1.00 1000.000  0.00
1:LYS+_20:HA       1:CYSH_21:HN        2.100  2.800  4.500  1.00  1.00 1000.000  0.00
1:LYS+_20:HA       1:CYSH_21:HB*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_20:HB*      1:CYSH_21:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_20:HG*      1:LYS+_20:HN        2.100  3.600  4.500  1.00  1.00 1000.000  0.00
1:LYS+_20:HG*      1:CYSH_21:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_21:HB*      1:SER_22:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_21:HB*      1:LYS+_23:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HN        1:LYS+_23:HN        3.100  3.900  4.500  1.00  1.00 1000.000  0.00
1:SER_22:HN        1:SER_22:HBR        2.800  3.600  4.500  1.00  1.00 1000.000  0.00
1:SER_22:HN        1:CYSH_28:HBR       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HN        1:CYSH_28:HBS       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HBR       1:LYS+_23:HN        3.500  4.500  4.500  1.00  1.00 1000.000  0.00
1:SER_22:HA        1:LYS+_23:HB*       1.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HA        1:LYS+_23:HG*       1.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HA        1:GLU-_24:HBR       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HA        1:GLU-_24:HBS       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HBS       1:GLU-_24:HG*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HBR       1:GLU-_24:HG*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HBS       1:ALA_29:HB*        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:SER_22:HBR       1:ALA_29:HB*        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HN       1:LYS+_23:HB*       2.420  4.200  2.680  1.00  1.00 1000.000  0.00
1:LYS+_23:HN       1:TYR_40:CG         1.800  8.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HN       1:TYR_40:CZ         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HN       1:GLU-_24:HN        2.550  3.400  2.830  1.00  1.00 1000.000  0.00
1:LYS+_23:HN       1:CYSH_28:HBS       3.270  4.350  3.630  1.00  1.00 1000.000  0.00
1:LYS+_23:HN       1:CYSH_28:HBR       2.850  3.770  3.150  1.00  1.00 1000.000  0.00
1:LYS+_23:HA       1:CYSH_28:HBS       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HA       1:CYSH_28:HBR       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HA       1:TYR_40:CG         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HA       1:GLU-_24:HN        2.610  3.450  2.890  1.00  1.00 1000.000  0.00
1:LYS+_23:HA       1:TYR_40:CZ         2.400  4.000  4.500  1.00  1.00 1000.000  0.00
1:LYS+_23:HB*      1:GLU-_24:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HB*      1:TYR_40:CZ         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HG*      1:GLU-_24:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HG*      1:TYR_40:CG         1.800  8.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_23:HG*      1:TYR_40:CZ         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:GLU-_24:HA        2.340  3.120  2.600  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:GLU-_24:HG*       2.410  4.200  2.670  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:GLU-_24:HBS       2.400  3.500  4.500  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:GLU-_24:HBR       2.800  4.000  4.500  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:CYSH_28:HBR       3.250  4.330  3.610  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:CYSH_28:HBS       4.660  6.490  5.390  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:LYS+_25:HN        1.800  4.600  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HN       1:CYSH_28:HA        2.510  3.420  2.780  1.00  1.00 1000.000  0.00
1:GLU-_24:HA       1:LYS+_25:HN        1.970  2.590  2.170  1.00  1.00 1000.000  0.00
1:GLU-_24:HA       1:CYSH_28:HA        1.800  4.400  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HA       1:LYS+_25:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HA       1:LYS+_25:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HA       1:LYS+_25:HG*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBR      1:LYS+_25:HN        2.140  2.900  2.350  1.00  1.00 1000.000  0.00
1:GLU-_24:HBS      1:LYS+_25:HN        2.140  3.300  2.420  1.00  1.00 1000.000  0.00
1:GLU-_24:HBR      1:CYSH_28:HN        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBS      1:CYSH_28:HN        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBR      1:CYSH_28:HA        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBS      1:CYSH_28:HA        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBR      1:CYSH_28:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBS      1:CYSH_28:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBR      1:CYSH_28:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBS      1:CYSH_28:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBR      1:ALA_29:HN         1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HBS      1:ALA_29:HN         1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HG*      1:LYS+_25:HN        1.800  4.500  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HG*      1:CYSH_28:HN        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_24:HG*      1:CYSH_28:HA        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HN       1:PRO_26:HA         1.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HN       1:LYS+_27:HN        1.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HN       1:LYS+_27:HG*       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HN       1:LYS+_25:HA        2.550  3.390  2.830  1.00  1.00 1000.000  0.00
1:LYS+_25:HN       1:LYS+_25:HBR       2.120  2.820  2.350  1.00  1.00 1000.000  0.00
1:LYS+_25:HN       1:LYS+_25:HG*       2.210  3.930  2.450  1.00  1.00 1000.000  0.00
1:LYS+_25:HA       1:PRO_26:HDR        2.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HA       1:PRO_26:HDS        2.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HA       1:PRO_26:HA         1.800  3.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HA       1:LYS+_27:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HA       1:TYR_40:CZ         1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HA       1:LYS+_27:HN        2.600  4.000  4.500  1.00  1.00 1000.000  0.00
1:LYS+_25:HBR      1:PRO_26:HA         1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HBS      1:PRO_26:HA         1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HBR      1:LYS+_27:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HBS      1:LYS+_27:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HBR      1:TYR_40:CG         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HBS      1:TYR_40:CG         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HBR      1:TYR_40:CZ         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HBS      1:TYR_40:CZ         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HG*      1:PRO_26:HA         2.000  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HG*      1:LYS+_27:HN        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HG*      1:LYS+_27:HA        1.800  9.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HG*      1:CYSH_28:HA        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HG*      1:TYR_40:CG         1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HG*      1:TYR_40:CZ         1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HD*      1:TYR_40:CG         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HD*      1:TYR_40:CZ         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HE*      1:TYR_40:CG         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_25:HE*      1:TYR_40:CZ         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HA        1:LYS+_27:HA        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HA        1:TYR_40:CZ         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HB1       1:LYS+_27:HN        2.400  3.000  4.500  1.00  1.00 1000.000  0.00
1:PRO_26:HB2       1:LYS+_27:HN        3.100  3.950  4.500  1.00  1.00 1000.000  0.00
1:PRO_26:HB1       1:LYS+_27:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HB2       1:LYS+_27:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HB1       1:LYS+_27:HG*       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HB2       1:LYS+_27:HG*       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HG*       1:LYS+_27:HN        2.480  4.300  2.750  1.00  1.00 1000.000  0.00
1:PRO_26:HG*       1:LYS+_27:HG*       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HG*       1:TYR_40:CG         1.800  9.300  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HG*       1:TYR_40:CZ         1.800  8.200  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HDR       1:LYS+_27:HN        4.040  7.450  5.150  1.00  1.00 1000.000  0.00
1:PRO_26:HDS       1:LYS+_27:HB*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:PRO_26:HDR       1:LYS+_27:HB*       1.800  7.300  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HN       1:LEU_32:HG         1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HN       1:CYSH_38:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HN       1:CYSH_38:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HN       1:LYS+_27:HA        2.270  3.120  2.520  1.00  1.00 1000.000  0.00
1:LYS+_27:HN       1:LYS+_27:HB*       2.370  4.150  2.630  1.00  1.00 1000.000  0.00
1:LYS+_27:HN       1:CYSH_28:HN        2.500  4.500  4.500  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_28:HN        1.890  2.490  2.090  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_28:HA        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_31:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_31:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_31:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:LEU_32:HA         1.800  6.600  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:LEU_32:HN         1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_38:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_38:HBR       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_38:HBS       2.500  3.200  4.500  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:CYSH_38:HN        3.600  4.600  4.500  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:TYR_40:CZ         2.600  5.300  4.500  1.00  1.00 1000.000  0.00
1:LYS+_27:HA       1:TYR_40:CG         3.200  6.000  4.500  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_28:HN        2.340  4.100  2.590  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_28:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:ALA_29:CB         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_31:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_31:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:LEU_32:HN         1.800  5.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:LEU_32:HA         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_38:HN        2.800  4.600  3.130  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_38:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_38:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:CYSH_38:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HB*      1:TYR_40:CZ         1.800  8.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HG*      1:CYSH_28:HN        3.540  5.710  3.930  1.00  1.00 1000.000  0.00
1:LYS+_27:HG*      1:CYSH_31:HBS       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HG*      1:CYSH_31:HBR       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HG*      1:CYSH_38:HA        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HG*      1:CYSH_38:HBS       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HG*      1:CYSH_38:HBR       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HG*      1:TYR_40:CZ         1.800  8.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HD*      1:CYSH_38:HA        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HD*      1:CYSH_38:HBS       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HD*      1:CYSH_38:HBR       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_27:HE*      1:CYSH_28:HN        1.800  7.100  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_28:HA        2.700  4.500  3.750  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_28:HBR       2.500  3.400  4.500  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_28:HBS       2.620  3.600  2.910  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_31:HN        2.700  3.800  3.611  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_31:HBS       3.500  4.500  4.500  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_31:HBR       3.100  5.000  4.500  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:LEU_32:HN         2.900  4.700  4.500  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:ALA_29:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_38:HBS       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:CYSH_38:HBR       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:TYR_40:CZ         3.100  6.000  4.500  1.00  1.00 1000.000  0.00
1:CYSH_28:HN       1:TYR_40:CG         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HA       1:ALA_29:HN         2.400  3.170  2.650  1.00  1.00 1000.000  0.00
1:CYSH_28:HA       1:ALA_29:HA         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HA       1:ALA_29:CB         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HA       1:TYR_40:CZ         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBS      1:ALA_29:HN         1.870  4.800  3.180  1.00  1.00 1000.000  0.00
1:CYSH_28:HBR      1:ALA_29:HN         2.400  3.170  2.650  1.00  1.00 1000.000  0.00
1:CYSH_28:HBS      1:LYS+_30:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBR      1:LYS+_30:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBR      1:CYSH_31:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBS      1:CYSH_31:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBR      1:CYSH_38:HN        1.800  8.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBS      1:CYSH_38:HN        1.800  8.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBS      1:TYR_40:CZ         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_28:HBR      1:TYR_40:CZ         1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_29:HN        1:ALA_29:HA         2.280  3.030  2.530  1.00  1.00 1000.000  0.00
1:ALA_29:HN        1:LYS+_30:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_29:HN        1:LEU_32:CG         1.800  7.200  3.400  1.00  1.00 1000.000  0.00
1:ALA_29:HA        1:LYS+_30:HB*       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_29:HA        1:LEU_32:HBS        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_29:HA        1:LEU_32:HBR        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_29:HA        1:LEU_32:CG         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ALA_29:CB        1:ALA_29:HN         2.220  2.940  2.460  1.00  1.00 1000.000  0.00
1:ALA_29:CB        1:LYS+_30:HN        2.140  2.830  2.370  1.00  1.00 1000.000  0.00
1:LYS+_30:HN       1:LYS+_30:HB*       2.100  3.800  2.330  1.00  1.00 1000.000  0.00
1:LYS+_30:HN       1:CYSH_31:HN        2.430  3.240  2.700  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:CYSH_31:HN        2.130  3.920  2.360  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:TRP_36:HZ3        2.900  4.700  4.500  1.00  1.00 1000.000  0.00
1:LYS+_30:HG*      1:TRP_36:HZ3        2.400  5.300  4.500  1.00  1.00 1000.000  0.00
1:LYS+_30:HD*      1:TRP_36:HZ3        2.400  5.700  4.500  1.00  1.00 1000.000  0.00
1:LYS+_30:HA       1:LYS+_33:HBR       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HA       1:LYS+_33:HBS       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HA       1:LYS+_33:HG*       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:LEU_32:HN         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:LYS+_33:HN        1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:ASN_34:HD21       1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:ASN_34:HD22       1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:TRP_36:HE3        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HB*      1:TRP_36:HH2        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HE*      1:TRP_36:HZ2        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HG*      1:CYSH_31:HN        1.130  4.020  2.360  1.00  1.00 1000.000  0.00
1:LYS+_30:HG*      1:ASN_34:HD21       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HG*      1:ASN_34:HD22       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HG*      1:TRP_36:HE3        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HG*      1:TRP_36:HH2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HD*      1:ASN_34:HD21       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HD*      1:ASN_34:HD22       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HD*      1:TRP_36:HH2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HD*      1:TRP_36:HZ2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HE*      1:TRP_36:HZ3        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_30:HE*      1:TRP_36:HH2        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:TRP_36:HBR        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:TRP_36:HBS        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:CYSH_38:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:CYSH_38:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:LEU_32:HN         2.150  3.850  2.380  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:CYSH_31:HA        2.300  2.900  4.500  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:CYSH_31:HBS       2.120  2.810  2.350  1.00  1.00 1000.000  0.00
1:CYSH_31:HN       1:CYSH_31:HBR       2.450  3.660  2.720  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:LEU_32:HN         2.500  3.400  4.500  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:LYS+_33:HN        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:ASN_34:HBS        2.700  4.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:ASN_34:HBR        3.200  5.000  4.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:ASN_35:HA         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HN         2.650  3.420  2.940  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HA         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HBR        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HBS        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HD1        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HE3        1.800  3.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HZ3        3.100  4.800  4.500  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:TRP_36:HH2        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:GLU-_37:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:CYSH_38:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:CYSH_38:HBS       1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:CYSH_38:HBR       1.800  6.700  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HA       1:GLU-_37:HN        3.600  5.300  4.500  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:LEU_32:HN         2.800  3.250  2.710  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:LEU_32:HN         3.040  4.030  3.370  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:LEU_32:HBR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:LEU_32:HBS        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:LEU_32:HBR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:LEU_32:HBS        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:LYS+_33:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:LYS+_33:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:ASN_34:HBR        1.800  7.350  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:ASN_34:HBR        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:ASN_34:HBS        1.800  6.350  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:ASN_34:HBS        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:TRP_36:HBR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:TRP_36:HBR        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:TRP_36:HBS        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:TRP_36:HBS        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:ARG+_39:HN        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:ARG+_39:HN        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:CYSH_38:HBS       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:CYSH_38:HBS       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBS      1:CYSH_38:HBR       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:CYSH_38:HBR       1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:TRP_36:HN         2.800  3.800  4.500  1.00  1.00 1000.000  0.00
1:CYSH_31:HBR      1:TRP_36:HE3        3.200  4.100  4.500  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:LYS+_33:HN        2.400  3.100  4.500  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:LEU_32:HBR        2.320  3.070  2.570  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:LEU_32:HBS        2.100  2.900  4.500  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:LEU_32:HD*        2.640  5.510  2.930  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:LYS+_33:HA        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:LYS+_33:HBR       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:LYS+_33:HBS       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:ASN_34:HN         1.800  4.200  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:TRP_36:HE3        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:TRP_36:HZ3        1.800  6.300  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:CYSH_38:HBS       1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HN        1:CYSH_38:HBR       1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HA        1:LYS+_33:HN        2.500  3.300  4.500  1.00  1.00 1000.000  0.00
1:LEU_32:HA        1:ASN_35:HN         2.600  3.480  2.900  1.00  1.00 1000.000  0.00
1:LEU_32:HA        1:ASN_35:HA         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HA        1:ASN_35:HB1        1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HA        1:ASN_35:HB2        1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HBR       1:LYS+_33:HN        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HBS       1:LYS+_33:HN        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HBR       1:ASN_35:HN         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HBS       1:ASN_35:HN         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:HG        1:LYS+_33:HN        1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:CG        1:LYS+_33:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:CG        1:LYS+_33:HA        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:CG        1:ASN_34:HN         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:LEU_32:CG        1:ASN_35:HN         1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:LYS+_33:HA        2.550  3.400  2.830  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:LYS+_33:HBR       2.450  3.100  4.500  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:LYS+_33:CG        3.200  4.900  4.500  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ASN_34:HN         2.210  3.130  2.450  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ASN_34:HA         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ASN_34:HBR        1.800  6.100  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ASN_34:HBS        1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ASN_34:HD22       1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ASN_34:HD21       1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:TRP_36:HE3        1.800  5.300  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HN       1:ASN_35:HN         3.700  4.700  4.500  1.00  1.00 1000.000  0.00
1:LYS+_33:HA       1:ASN_34:HN         2.270  3.340  2.520  1.00  1.00 1000.000  0.00
1:LYS+_33:HA       1:ASN_35:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HBR      1:ASN_34:HD22       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HBR      1:ASN_34:HD21       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HBS      1:ASN_34:HD22       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HBS      1:ASN_34:HD21       1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HBR      1:ASN_35:HN         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HBS      1:ASN_35:HN         1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HG*      1:ASN_34:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HG*      1:ASN_34:HD21       1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HG*      1:ASN_34:HD22       1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HG*      1:ASN_35:HN         1.800  6.400  3.400  1.00  1.00 1000.000  0.00
1:LYS+_33:HBR      1:ASN_34:HN         2.250  2.980  2.490  1.00  1.00 1000.000  0.00
1:LYS+_33:HBS      1:ASN_34:HN         2.700  3.750  4.500  1.00  1.00 1000.000  0.00
1:ASN_34:HN        1:ASN_34:HA         2.470  3.280  2.740  1.00  1.00 1000.000  0.00
1:ASN_34:HN        1:ASN_34:HBR        2.470  3.800  2.740  1.00  1.00 1000.000  0.00
1:ASN_34:HN        1:ASN_34:HBS        2.190  2.910  2.430  1.00  1.00 1000.000  0.00
1:ASN_34:HN        1:ASN_35:HN         2.220  2.940  2.460  1.00  1.00 1000.000  0.00
1:ASN_34:HN        1:ASN_35:HA         1.800  4.900  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HN        1:TRP_36:HZ2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HA        1:ASN_35:HN         2.930  3.890  3.250  1.00  1.00 1000.000  0.00
1:ASN_34:HA        1:ASN_35:HB1        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HA        1:ASN_35:HB2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HA        1:TRP_36:HE1        1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HE1        2.930  4.190  3.250  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HE1        2.450  3.240  2.720  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:ASN_34:HD21       2.500  4.000  2.950  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:ASN_34:HD21       3.500  5.400  4.410  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:ASN_34:HD22       2.000  3.500  2.750  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:ASN_34:HD22       2.000  3.500  2.750  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:ASN_35:HN         3.430  4.530  3.810  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:ASN_35:HN         4.080  5.700  4.750  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:ASN_35:HA         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:ASN_35:HA         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:ASN_35:HB1        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:ASN_35:HB1        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:ASN_35:HB2        1.800  8.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HN         1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HN         1.800  5.200  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HA         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HA         1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HBR        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HBS        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HBR        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HBS        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HD1        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HD1        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HE3        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HE3        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HZ3        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HZ3        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBR       1:TRP_36:HZ2        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HBS       1:TRP_36:HZ2        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HD21      1:TRP_36:HZ3        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HD22      1:TRP_36:HZ3        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HD21      1:TRP_36:HH2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HD22      1:TRP_36:HH2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HD21      1:TRP_36:HZ2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_34:HD22      1:TRP_36:HZ2        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HN        1:ASN_35:HA         2.140  2.830  2.370  1.00  1.00 1000.000  0.00
1:ASN_35:HN        1:TRP_36:HN         2.250  3.970  2.490  1.00  1.00 1000.000  0.00
1:ASN_35:HN        1:ASN_35:HB1        2.480  3.400  2.750  1.00  1.00 1000.000  0.00
1:ASN_35:HN        1:ASN_35:HB2        2.780  3.780  3.080  1.00  1.00 1000.000  0.00
1:ASN_35:HA        1:TRP_36:HA         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HA        1:TRP_36:HBR        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HA        1:TRP_36:HBS        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HA        1:TRP_36:HN         2.210  2.930  2.450  1.00  1.00 1000.000  0.00
1:ASN_35:HA        1:TRP_36:HD1        3.200  5.250  4.500  1.00  1.00 1000.000  0.00
1:ASN_35:HB1       1:TRP_36:HN         4.060  6.870  4.970  1.00  1.00 1000.000  0.00
1:ASN_35:HB2       1:TRP_36:HN         4.060  6.870  4.970  1.00  1.00 1000.000  0.00
1:ASN_35:HB1       1:TRP_36:HD1        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HB2       1:TRP_36:HD1        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HB1       1:ASN_35:HD21       3.000  3.900  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HB2       1:ASN_35:HD21       3.000  3.900  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HB1       1:ASN_35:HD22       3.000  3.700  3.400  1.00  1.00 1000.000  0.00
1:ASN_35:HB2       1:ASN_35:HD22       3.000  3.700  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HN        1:TRP_36:HA         2.500  3.310  2.770  1.00  1.00 1000.000  0.00
1:TRP_36:HN        1:TRP_36:HBR        2.140  2.830  2.370  1.00  1.00 1000.000  0.00
1:TRP_36:HN        1:TRP_36:HBS        2.500  3.730  2.780  1.00  1.00 1000.000  0.00
1:TRP_36:HN        1:TRP_36:HD1        3.050  4.190  4.500  1.00  1.00 1000.000  0.00
1:TRP_36:HN        1:GLU-_37:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:GLU-_37:HN        2.170  2.850  2.390  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:CYSH_38:HN        4.000  6.800  4.500  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:TRP_36:HE1        1.800  5.500  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:TRP_36:HE3        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:GLU-_37:HA        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:GLU-_37:HBR       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:GLU-_37:HBS       1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HA        1:GLU-_37:HG*       1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HBR       1:GLU-_37:HN        2.820  3.740  3.120  1.00  1.00 1000.000  0.00
1:TRP_36:HBS       1:GLU-_37:HN        2.200  2.930  2.450  1.00  1.00 1000.000  0.00
1:TRP_36:HBR       1:TRP_36:HD1        2.900  3.800  4.500  1.00  1.00 1000.000  0.00
1:TRP_36:HBR       1:TRP_36:HE3        2.300  2.950  4.500  1.00  1.00 1000.000  0.00
1:TRP_36:HBS       1:TRP_36:HE3        2.900  4.350  4.500  1.00  1.00 1000.000  0.00
1:TRP_36:HBR       1:TRP_36:HE1        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HBS       1:TRP_36:HE1        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HE1       1:GLU-_37:HN        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HD1       1:GLU-_37:HN        3.100  4.200  3.470  1.00  1.00 1000.000  0.00
1:TRP_36:HD1       1:GLU-_37:HA        1.800  6.500  3.400  1.00  1.00 1000.000  0.00
1:TRP_36:HE1       1:TRP_36:HZ2        2.290  4.040  2.540  1.00  1.00 1000.000  0.00
1:TRP_36:HE3       1:GLU-_37:HN        1.800  5.400  3.400  1.00  1.00 1000.000  0.00
1:GLU-_37:HN       1:CYSH_38:HN        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:GLU-_37:HN       1:ILE_13:CD1        3.160  5.200  3.510  1.00  1.00 1000.000  0.00
1:GLU-_37:HN       1:GLU-_37:HA        2.440  3.250  2.710  1.00  1.00 1000.000  0.00
1:GLU-_37:HN       1:GLU-_37:HBR       2.200  3.450  4.500  1.00  1.00 1000.000  0.00
1:GLU-_37:HN       1:GLU-_37:HBS       2.400  3.750  4.500  1.00  1.00 1000.000  0.00
1:GLU-_37:HG*      1:CYSH_38:HN        4.240  6.650  4.710  1.00  1.00 1000.000  0.00
1:GLU-_37:HBS      1:CYSH_38:HN        3.300  5.400  3.670  1.00  1.00 1000.000  0.00
1:GLU-_37:HBR      1:CYSH_38:HN        2.700  4.510  4.500  1.00  1.00 1000.000  0.00
1:CYSH_38:HN       1:ARG+_39:HN        3.000  4.100  4.500  1.00  1.00 1000.000  0.00
1:CYSH_38:HN       1:CYSH_38:HBS       2.300  3.100  2.560  1.00  1.00 1000.000  0.00
1:CYSH_38:HN       1:CYSH_38:HBR       2.600  3.040  2.540  1.00  1.00 1000.000  0.00
1:CYSH_38:HA       1:ARG+_39:HN        1.950  2.580  2.160  1.00  1.00 1000.000  0.00
1:CYSH_38:HA       1:ARG+_39:HB*       1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_38:HBS      1:ARG+_39:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:CYSH_38:HBR      1:ARG+_39:HN        1.800  6.000  3.400  1.00  1.00 1000.000  0.00
1:ARG+_39:HB*      1:TYR_40:HN         2.500  4.300  2.760  1.00  1.00 1000.000  0.00
1:ARG+_39:HG*      1:TYR_40:HN         2.650  4.520  2.940  1.00  1.00 1000.000  0.00
1:ARG+_39:HN       1:ARG+_39:HA        2.700  4.110  3.430  1.00  1.00 1000.000  0.00
1:ARG+_39:HN       1:ARG+_39:HB*       2.360  4.140  2.620  1.00  1.00 1000.000  0.00
1:ARG+_39:HN       1:ARG+_39:HG*       2.670  4.550  2.970  1.00  1.00 1000.000  0.00
1:ARG+_39:HN       1:TYR_40:HN         3.500  4.900  4.500  1.00  1.00 1000.000  0.00
1:TYR_40:HB*       1:TYR_40:CZ         2.200  5.900  4.500  1.00  1.00 1000.000  0.00
1:TYR_40:HN        1:TYR_40:HB*        2.220  4.940  2.460  1.00  1.00 1000.000  0.00
1:TYR_40:HN        1:TYR_40:CG         2.300  5.050  2.540  1.00  1.00 1000.000  0.00
1:TYR_40:HB*       1:SER_41:HN         3.200  5.800  4.500  1.00  1.00 1000.000  0.00
1:TYR_40:HN        1:SER_41:HN         1.800  5.000  3.400  1.00  1.00 1000.000  0.00
1:TYR_40:CZ        1:SER_41:HN         1.800  7.500  3.400  1.00  1.00 1000.000  0.00
1:SER_41:HA        1:PRO_42:HG*        1.800  7.000  3.400  1.00  1.00 1000.000  0.00
1:SER_41:HA        1:PRO_42:HD*        1.800  4.000  3.400  1.00  1.00 1000.000  0.00
1:SER_41:HN        1:SER_41:HB*        2.500  4.200  4.500  1.00  1.00 1000.000  0.00
1:PRO_42:HA        1:LY+C_43:HN        3.200  4.260  3.560  1.00  1.00 1000.000  0.00
1:PRO_42:HB*       1:LY+C_43:HN        1.800  5.000  3.400  1.00  1.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 
!
#3J_dihedral
1:GLN_9:HN         1:GLN_9:N          1:GLN_9:CA         1:GLN_9:HA          4.70  1.00 60.00 60.00 1000.000 -150.0  -90.0
1:CYSH_11:HN       1:CYSH_11:N        1:CYSH_11:CA       1:CYSH_11:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:ASP-_12:HN       1:ASP-_12:N        1:ASP-_12:CA       1:ASP-_12:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:ILE_13:HN        1:ILE_13:N         1:ILE_13:CA        1:ILE_13:HA         4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:CYSH_14:HN       1:CYSH_14:N        1:CYSH_14:CA       1:CYSH_14:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:ARG+_15:HN       1:ARG+_15:N        1:ARG+_15:CA       1:ARG+_15:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:LEU_16:HN        1:LEU_16:N         1:LEU_16:CA        1:LEU_16:HA         4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:LYS+_17:HN       1:LYS+_17:N        1:LYS+_17:CA       1:LYS+_17:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:LYS+_18:HN       1:LYS+_18:N        1:LYS+_18:CA       1:LYS+_18:HA        4.70  1.00 60.00 60.00 1000.000  -30.0   30.0
1:LEU_19:HN        1:LEU_19:N         1:LEU_19:CA        1:LEU_19:HA         4.70  1.00 60.00 60.00 1000.000  160.0 -160.0
1:LYS+_20:HN       1:LYS+_20:N        1:LYS+_20:CA       1:LYS+_20:HA        4.70  1.00 60.00 60.00 1000.000 -150.0  -90.0
1:SER_22:HN        1:SER_22:N         1:SER_22:CA        1:SER_22:HA         4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:LYS+_23:HN       1:LYS+_23:N        1:LYS+_23:CA       1:LYS+_23:HA        4.70  1.00 60.00 60.00 1000.000  -30.0   30.0
1:LYS+_25:HN       1:LYS+_25:N        1:LYS+_25:CA       1:LYS+_25:HA        4.70  1.00 60.00 60.00 1000.000  160.0 -160.0
1:LYS+_27:HN       1:LYS+_27:N        1:LYS+_27:CA       1:LYS+_27:HA        4.70  1.00 60.00 60.00 1000.000  150.0 -150.0
1:CYSH_28:HN       1:CYSH_28:N        1:CYSH_28:CA       1:CYSH_28:HA        4.70  1.00 60.00 60.00 1000.000 -150.0 -100.0
1:ALA_29:HN        1:ALA_29:N         1:ALA_29:CA        1:ALA_29:HA         4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:LYS+_30:HN       1:LYS+_30:N        1:LYS+_30:CA       1:LYS+_30:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:CYSH_31:HN       1:CYSH_31:N        1:CYSH_31:CA       1:CYSH_31:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:LEU_32:HN        1:LEU_32:N         1:LEU_32:CA        1:LEU_32:HA         4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:LYS+_33:HN       1:LYS+_33:N        1:LYS+_33:CA       1:LYS+_33:HA        4.70  1.00 60.00 60.00 1000.000 -140.0 -100.0
1:ASN_34:HN        1:ASN_34:N         1:ASN_34:CA        1:ASN_34:HA         4.70  1.00 60.00 60.00 1000.000  150.0 -150.0
1:ASN_35:HN        1:ASN_35:N         1:ASN_35:CA        1:ASN_35:HA         4.70  1.00 60.00 60.00 1000.000  -30.0   30.0
1:TRP_36:HN        1:TRP_36:N         1:TRP_36:CA        1:TRP_36:HA         4.70  1.00 60.00 60.00 1000.000  160.0 -160.0
1:ARG+_39:HN       1:ARG+_39:N        1:ARG+_39:CA       1:ARG+_39:HA        4.70  1.00 60.00 60.00 1000.000  160.0 -160.0
1:TYR_40:HN        1:TYR_40:N         1:TYR_40:CA        1:TYR_40:HA         4.70  1.00 60.00 60.00 1000.000  160.0 -160.0
1:CYSH_11:N        1:CYSH_11:CA       1:CYSH_11:CB       1:CYSH_11:SG        4.70  1.00 60.00 60.00 1000.000   30.0   90.0
1:CYSH_14:N        1:CYSH_14:CA       1:CYSH_14:CB       1:CYSH_14:SG        4.70  1.00 60.00 60.00 1000.000  -90.0  -30.0
1:LYS+_18:N        1:LYS+_18:CA       1:LYS+_18:CB       1:LYS+_18:CG        4.70  1.00 60.00 60.00 1000.000  -90.0  -30.0
1:LEU_19:N         1:LEU_19:CA        1:LEU_19:CB        1:LEU_19:CG         4.70  1.00 60.00 60.00 1000.000   90.0   30.0
1:LYS+_20:N        1:LYS+_20:CA       1:LYS+_20:CB       1:LYS+_20:CG        4.70  1.00 60.00 60.00 1000.000   90.0   30.0
1:CYSH_21:N        1:CYSH_21:CA       1:CYSH_21:CB       1:CYSH_21:SG        4.70  1.00 60.00 60.00 1000.000   90.0   30.0
1:SER_22:N         1:SER_22:CA        1:SER_22:CB        1:SER_22:OG         4.70  1.00 60.00 60.00 1000.000   30.0   90.0
1:LYS+_23:N        1:LYS+_23:CA       1:LYS+_23:CB       1:LYS+_23:CG        4.70  1.00 60.00 60.00 1000.000   90.0   30.0
1:GLU-_24:N        1:GLU-_24:CA       1:GLU-_24:CB       1:GLU-_24:CG        4.70  1.00 60.00 60.00 1000.000   30.0   90.0
1:LYS+_25:N        1:LYS+_25:CA       1:LYS+_25:CB       1:LYS+_25:CG        4.70  1.00 60.00 60.00 1000.000  -90.0  -30.0
1:PRO_26:N         1:PRO_26:CA        1:PRO_26:CB        1:PRO_26:CG         4.70  1.00 60.00 60.00 1000.000   30.0   90.0
1:CYSH_28:N        1:CYSH_28:CA       1:CYSH_28:CB       1:CYSH_28:SG        4.70  1.00 60.00 60.00 1000.000   30.0   90.0
1:CYSH_31:N        1:CYSH_31:CA       1:CYSH_31:CB       1:CYSH_31:SG        4.70  1.00 60.00 60.00 1000.000  -90.0  -30.0
1:LEU_32:N         1:LEU_32:CA        1:LEU_32:CB        1:LEU_32:CG         4.70  1.00 60.00 60.00 1000.000  150.0 -150.0
1:LYS+_33:N        1:LYS+_33:CA       1:LYS+_33:CB       1:LYS+_33:CG        4.70  1.00 60.00 60.00 1000.000  -90.0  -30.0
1:ASN_34:N         1:ASN_34:CA        1:ASN_34:CB        1:ASN_34:CG         4.70  1.00 60.00 60.00 1000.000  -90.0  -30.0
1:TRP_36:N         1:TRP_36:CA        1:TRP_36:CB        1:TRP_36:CG         4.70  1.00 60.00 60.00 1000.000  -90.0  -30.0
1:GLU-_37:N        1:GLU-_37:CA       1:GLU-_37:CB       1:GLU-_37:CG        4.70  1.00 60.00 60.00 1000.000  150.0 -150.0
1:CYSH_38:N        1:CYSH_38:CA       1:CYSH_38:CB       1:CYSH_38:SG        4.70  1.00 60.00 60.00 1000.000  150.0 -150.0

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -12.220 -15.245 -15.245
    2   2H    MET   1          2H        MET   1 -10.807 -15.290 -15.290
    3   3H    MET   1          3H        MET   1 -11.323 -13.841 -13.841
    4    HA   MET   1           HA       MET   1  -9.507 -14.678 -14.678
    5   1HB   MET   1          1HB       MET   1 -11.310 -17.162 -17.162
    6   2HB   MET   1          2HB       MET   1  -9.725 -16.899 -16.899
    7   1HG   MET   1          1HG       MET   1  -9.965 -16.992 -16.992
    8   2HG   MET   1          2HG       MET   1  -9.960 -18.484 -18.484
    9   1HE   MET   1          1HE       MET   1  -8.200 -18.903 -18.903
   10   2HE   MET   1          2HE       MET   1  -6.464 -18.717 -18.717
   11   3HE   MET   1          3HE       MET   1  -7.307 -17.455 -17.455
   12    H    LYS   2           H        LYS   2 -10.482 -12.744 -12.744
   13    HA   LYS   2           HA       LYS   2 -11.683 -13.150 -13.150
   14   1HB   LYS   2          1HB       LYS   2 -13.664 -13.382 -13.382
   15   2HB   LYS   2          2HB       LYS   2 -13.370 -11.728 -11.728
   16   1HG   LYS   2          1HG       LYS   2 -15.081 -11.436 -11.436
   17   2HG   LYS   2          2HG       LYS   2 -13.628 -11.087 -11.087
   18   1HD   LYS   2          1HD       LYS   2 -14.761 -12.528 -12.528
   19   2HD   LYS   2          2HD       LYS   2 -13.799 -13.732 -13.732
   20   1HE   LYS   2          1HE       LYS   2 -16.201 -13.178 -13.178
   21   2HE   LYS   2          2HE       LYS   2 -16.727 -13.499 -13.499
   22   1HZ   LYS   2          1HZ       LYS   2 -14.984 -15.423 -15.423
   23   2HZ   LYS   2          2HZ       LYS   2 -15.239 -15.248 -15.248
   24   3HZ   LYS   2          3HZ       LYS   2 -16.531 -15.598 -15.598
   25    H    LEU   3           H        LEU   3 -10.599 -11.889 -11.889
   26    HA   LEU   3           HA       LEU   3  -9.973  -9.791  -9.791
   27   1HB   LEU   3          1HB       LEU   3 -12.216  -9.107  -9.107
   28   2HB   LEU   3          2HB       LEU   3 -10.995  -8.123  -8.123
   29    HG   LEU   3           HG       LEU   3 -11.087  -7.929  -7.929
   30   1HD1  LEU   3          1HD1      LEU   3 -13.541  -8.083  -8.083
   31   2HD1  LEU   3          2HD1      LEU   3 -13.307  -6.653  -6.653
   32   3HD1  LEU   3          3HD1      LEU   3 -13.121  -6.521  -6.521
   33   1HD2  LEU   3          1HD2      LEU   3  -9.788  -6.431  -6.431
   34   2HD2  LEU   3          2HD2      LEU   3 -10.202  -5.815  -5.815
   35   3HD2  LEU   3          3HD2      LEU   3 -11.260  -5.453  -5.453
   36    H    LEU   4           H        LEU   4  -8.226  -8.699  -8.699
   37    HA   LEU   4           HA       LEU   4  -6.769  -8.060  -8.060
   38   1HB   LEU   4          1HB       LEU   4  -5.630  -9.923  -9.923
   39   2HB   LEU   4          2HB       LEU   4  -4.600  -9.087  -9.087
   40    HG   LEU   4           HG       LEU   4  -6.830 -10.908 -10.908
   41   1HD1  LEU   4          1HD1      LEU   4  -4.305 -11.728 -11.728
   42   2HD1  LEU   4          2HD1      LEU   4  -4.701 -12.645 -12.645
   43   3HD1  LEU   4          3HD1      LEU   4  -5.866 -12.559 -12.559
   44   1HD2  LEU   4          1HD2      LEU   4  -5.253  -9.373  -9.373
   45   2HD2  LEU   4          2HD2      LEU   4  -5.546 -11.066 -11.066
   46   3HD2  LEU   4          3HD2      LEU   4  -4.025 -10.631 -10.631
   47    H    SER   5           H        SER   5  -6.633  -8.096  -8.096
   48    HA   SER   5           HA       SER   5  -4.955  -5.581  -5.581
   49   1HB   SER   5          1HB       SER   5  -5.520  -6.095  -6.095
   50   2HB   SER   5          2HB       SER   5  -4.038  -6.521  -6.521
   51    HG   SER   5           HG       SER   5  -4.981  -8.555  -8.555
   52    H    SER   6           H        SER   6  -5.492  -4.057  -4.057
   53    HA   SER   6           HA       SER   6  -7.995  -2.717  -2.717
   54   1HB   SER   6          1HB       SER   6  -7.385  -1.306  -1.306
   55   2HB   SER   6          2HB       SER   6  -6.514  -1.060  -1.060
   56    HG   SER   6           HG       SER   6  -4.808  -1.622  -1.622
   57    H    ILE   7           H        ILE   7  -8.833  -1.738  -1.738
   58    HA   ILE   7           HA       ILE   7  -9.635  -4.195  -4.195
   59    HB   ILE   7           HB       ILE   7 -11.806  -4.545  -4.545
   60   1HG1  ILE   7          1HG1      ILE   7 -12.994  -2.789  -2.789
   61   2HG1  ILE   7          2HG1      ILE   7 -13.584  -2.771  -2.771
   62   1HG2  ILE   7          1HG2      ILE   7 -10.738  -4.081  -4.081
   63   2HG2  ILE   7          2HG2      ILE   7 -11.877  -2.760  -2.760
   64   3HG2  ILE   7          3HG2      ILE   7 -12.469  -4.424  -4.424
   65   1HD1  ILE   7          1HD1      ILE   7 -11.290  -0.873  -0.873
   66   2HD1  ILE   7          2HD1      ILE   7 -12.719  -0.492  -0.492
   67   3HD1  ILE   7          3HD1      ILE   7 -12.871  -0.648  -0.648
   68    H    GLU   8           H        GLU   8  -8.218  -1.658  -1.658
   69    HA   GLU   8           HA       GLU   8  -9.312  -1.260  -1.260
   70   1HB   GLU   8          1HB       GLU   8 -10.383   0.684   0.684
   71   2HB   GLU   8          2HB       GLU   8  -9.253   0.885   0.885
   72   1HG   GLU   8          1HG       GLU   8  -7.650   2.080   2.080
   73   2HG   GLU   8          2HG       GLU   8  -8.290   1.453   1.453
   74    H    GLN   9           H        GLN   9  -7.682  -2.399  -2.399
   75    HA   GLN   9           HA       GLN   9  -4.950  -1.919  -1.919
   76   1HB   GLN   9          1HB       GLN   9  -6.383  -3.827  -3.827
   77   2HB   GLN   9          2HB       GLN   9  -4.791  -3.439  -3.439
   78   1HG   GLN   9          1HG       GLN   9  -4.156  -5.250  -5.250
   79   2HG   GLN   9          2HG       GLN   9  -3.964  -3.983  -3.983
   80   1HE2  GLN   9          1HE2      GLN   9  -7.240  -6.396  -6.396
   81   2HE2  GLN   9          2HE2      GLN   9  -6.946  -5.659  -5.659
   82    H    ALA  10           H        ALA  10  -3.480  -0.636  -0.636
   83    HA   ALA  10           HA       ALA  10  -2.829   0.068   0.068
   84   1HB   ALA  10          1HB       ALA  10  -5.053   1.203   1.203
   85   2HB   ALA  10          2HB       ALA  10  -4.650   2.199   2.199
   86   3HB   ALA  10          3HB       ALA  10  -3.770   2.423   2.423
   87    H    CYS  11           H        CYS  11  -0.697   0.894   0.894
   88    HA   CYS  11           HA       CYS  11   0.266   1.093   1.093
   89   1HB   CYS  11          1HB       CYS  11   2.529   1.136   1.136
   90   2HB   CYS  11          2HB       CYS  11   1.535  -0.136  -0.136
   91    H    ASP  12           H        ASP  12   1.993   2.671   2.671
   92    HA   ASP  12           HA       ASP  12   0.626   5.243   5.243
   93   1HB   ASP  12          1HB       ASP  12   2.239   4.900   4.900
   94   2HB   ASP  12          2HB       ASP  12   3.401   4.170   4.170
   95    H    ILE  13           H        ILE  13   3.106   4.047   4.047
   96    HA   ILE  13           HA       ILE  13   3.777   6.691   6.691
   97    HB   ILE  13           HB       ILE  13   4.316   3.792   3.792
   98   1HG1  ILE  13          1HG1      ILE  13   6.067   4.550   4.550
   99   2HG1  ILE  13          2HG1      ILE  13   6.751   4.774   4.774
  100   1HG2  ILE  13          1HG2      ILE  13   3.719   4.989   4.989
  101   2HG2  ILE  13          2HG2      ILE  13   5.149   6.014   6.014
  102   3HG2  ILE  13          3HG2      ILE  13   5.356   4.292   4.292
  103   1HD1  ILE  13          1HD1      ILE  13   6.044   7.257   7.257
  104   2HD1  ILE  13          2HD1      ILE  13   5.634   7.015   7.015
  105   3HD1  ILE  13          3HD1      ILE  13   7.312   6.785   6.785
  106    H    CYS  14           H        CYS  14   1.314   4.413   4.413
  107    HA   CYS  14           HA       CYS  14   0.641   5.792   5.792
  108   1HB   CYS  14          1HB       CYS  14  -0.609   3.501   3.501
  109   2HB   CYS  14          2HB       CYS  14  -1.537   4.253   4.253
  110    H    ARG  15           H        ARG  15  -0.479   5.828   5.828
  111    HA   ARG  15           HA       ARG  15  -2.583   7.711   7.711
  112   1HB   ARG  15          1HB       ARG  15  -0.328   7.272   7.272
  113   2HB   ARG  15          2HB       ARG  15  -1.281   8.732   8.732
  114   1HG   ARG  15          1HG       ARG  15  -3.253   7.516   7.516
  115   2HG   ARG  15          2HG       ARG  15  -2.829   6.107   6.107
  116   1HD   ARG  15          1HD       ARG  15  -2.303   5.205   5.205
  117   2HD   ARG  15          2HD       ARG  15  -0.745   6.036   6.036
  118    HE   ARG  15           HE       ARG  15  -3.003   6.922   6.922
  119   1HH1  ARG  15          1HH1      ARG  15   0.056   7.782   7.782
  120   2HH1  ARG  15          2HH1      ARG  15   0.342   9.112   9.112
  121   1HH2  ARG  15          1HH2      ARG  15  -2.625   8.376   8.376
  122   2HH2  ARG  15          2HH2      ARG  15  -1.111   9.439   9.439
  123    H    LEU  16           H        LEU  16   0.861   8.515   8.515
  124    HA   LEU  16           HA       LEU  16   0.290  11.423  11.423
  125   1HB   LEU  16          1HB       LEU  16   2.917   9.808   9.808
  126   2HB   LEU  16          2HB       LEU  16   2.875  11.560  11.560
  127    HG   LEU  16           HG       LEU  16   1.465  10.837  10.837
  128   1HD1  LEU  16          1HD1      LEU  16   2.331   8.434   8.434
  129   2HD1  LEU  16          2HD1      LEU  16   3.982   9.043   9.043
  130   3HD1  LEU  16          3HD1      LEU  16   2.851   9.175   9.175
  131   1HD2  LEU  16          1HD2      LEU  16   3.151  12.713  12.713
  132   2HD2  LEU  16          2HD2      LEU  16   3.459  11.795  11.795
  133   3HD2  LEU  16          3HD2      LEU  16   4.465  11.524  11.524
  134    H    LYS  17           H        LYS  17   1.670   9.077   9.077
  135    HA   LYS  17           HA       LYS  17   2.203  11.219  11.219
  136   1HB   LYS  17          1HB       LYS  17   2.339   8.128   8.128
  137   2HB   LYS  17          2HB       LYS  17   2.954   9.252   9.252
  138   1HG   LYS  17          1HG       LYS  17   3.985   9.534   9.534
  139   2HG   LYS  17          2HG       LYS  17   4.545   8.156   8.156
  140   1HD   LYS  17          1HD       LYS  17   5.558   9.670   9.670
  141   2HD   LYS  17          2HD       LYS  17   4.718  11.078  11.078
  142   1HE   LYS  17          1HE       LYS  17   6.210   9.652   9.652
  143   2HE   LYS  17          2HE       LYS  17   7.308  10.075  10.075
  144   1HZ   LYS  17          1HZ       LYS  17   5.398  12.146  12.146
  145   2HZ   LYS  17          2HZ       LYS  17   6.563  11.785  11.785
  146   3HZ   LYS  17          3HZ       LYS  17   7.031  12.261  12.261
  147    H    LYS  18           H        LYS  18  -0.424   9.295   9.295
  148    HA   LYS  18           HA       LYS  18  -2.464   8.782   8.782
  149   1HB   LYS  18          1HB       LYS  18  -1.687  11.334  11.334
  150   2HB   LYS  18          2HB       LYS  18  -2.998  10.325  10.325
  151   1HG   LYS  18          1HG       LYS  18  -4.332  10.653  10.653
  152   2HG   LYS  18          2HG       LYS  18  -2.941  11.224  11.224
  153   1HD   LYS  18          1HD       LYS  18  -4.825  12.886  12.886
  154   2HD   LYS  18          2HD       LYS  18  -3.127  13.400  13.400
  155   1HE   LYS  18          1HE       LYS  18  -4.087  11.872  11.872
  156   2HE   LYS  18          2HE       LYS  18  -4.661  13.537  13.537
  157   1HZ   LYS  18          1HZ       LYS  18  -1.871  13.293  13.293
  158   2HZ   LYS  18          2HZ       LYS  18  -2.221  12.786  12.786
  159   3HZ   LYS  18          3HZ       LYS  18  -2.653  14.333  14.333
  160    H    LEU  19           H        LEU  19  -1.375   6.902   6.902
  161    HA   LEU  19           HA       LEU  19  -0.882   6.427   6.427
  162   1HB   LEU  19          1HB       LEU  19   0.859   5.545   5.545
  163   2HB   LEU  19          2HB       LEU  19   0.842   4.595   4.595
  164    HG   LEU  19           HG       LEU  19   2.207   6.038   6.038
  165   1HD1  LEU  19          1HD1      LEU  19   0.941   8.413   8.413
  166   2HD1  LEU  19          2HD1      LEU  19   2.201   8.575   8.575
  167   3HD1  LEU  19          3HD1      LEU  19   0.601   7.920   7.920
  168   1HD2  LEU  19          1HD2      LEU  19   2.756   6.804   6.804
  169   2HD2  LEU  19          2HD2      LEU  19   3.646   5.636   5.636
  170   3HD2  LEU  19          3HD2      LEU  19   3.763   7.386   7.386
  171    H    LYS  20           H        LYS  20  -1.304   4.399   4.399
  172    HA   LYS  20           HA       LYS  20  -3.404   2.918   2.918
  173   1HB   LYS  20          1HB       LYS  20  -1.911   1.941   1.941
  174   2HB   LYS  20          2HB       LYS  20  -3.492   1.416   1.416
  175   1HG   LYS  20          1HG       LYS  20  -4.265   2.971   2.971
  176   2HG   LYS  20          2HG       LYS  20  -4.014   4.124   4.124
  177   1HD   LYS  20          1HD       LYS  20  -2.597   5.248   5.248
  178   2HD   LYS  20          2HD       LYS  20  -1.477   3.872   3.872
  179   1HE   LYS  20          1HE       LYS  20  -2.103   4.264   4.264
  180   2HE   LYS  20          2HE       LYS  20  -2.813   2.724   2.724
  181   1HZ   LYS  20          1HZ       LYS  20  -4.261   5.323   5.323
  182   2HZ   LYS  20          2HZ       LYS  20  -4.392   4.177   4.177
  183   3HZ   LYS  20          3HZ       LYS  20  -4.903   3.805   3.805
  184    H    CYS  21           H        CYS  21  -3.368   0.843   0.843
  185    HA   CYS  21           HA       CYS  21  -0.545  -0.077  -0.077
  186   1HB   CYS  21          1HB       CYS  21  -1.615   1.425   1.425
  187   2HB   CYS  21          2HB       CYS  21  -2.905   0.228   0.228
  188    H    SER  22           H        SER  22  -1.068  -1.561  -1.561
  189    HA   SER  22           HA       SER  22  -2.792  -3.770  -3.770
  190   1HB   SER  22          1HB       SER  22  -0.726  -5.250  -5.250
  191   2HB   SER  22          2HB       SER  22  -1.114  -3.912  -3.912
  192    HG   SER  22           HG       SER  22   0.652  -3.375  -3.375
  193    H    LYS  23           H        LYS  23  -0.358  -3.087  -3.087
  194    HA   LYS  23           HA       LYS  23  -0.566  -3.710  -3.710
  195   1HB   LYS  23          1HB       LYS  23  -2.747  -5.662  -5.662
  196   2HB   LYS  23          2HB       LYS  23  -2.331  -5.458  -5.458
  197   1HG   LYS  23          1HG       LYS  23  -2.768  -2.812  -2.812
  198   2HG   LYS  23          2HG       LYS  23  -3.681  -3.469  -3.469
  199   1HD   LYS  23          1HD       LYS  23  -4.870  -4.907  -4.907
  200   2HD   LYS  23          2HD       LYS  23  -4.203  -3.615  -3.615
  201   1HE   LYS  23          1HE       LYS  23  -5.771  -2.088  -2.088
  202   2HE   LYS  23          2HE       LYS  23  -5.354  -2.389  -2.389
  203   1HZ   LYS  23          1HZ       LYS  23  -6.921  -4.429  -4.429
  204   2HZ   LYS  23          2HZ       LYS  23  -7.685  -3.023  -3.023
  205   3HZ   LYS  23          3HZ       LYS  23  -6.919  -4.022  -4.022
  206    H    GLU  24           H        GLU  24   0.643  -5.505  -5.505
  207    HA   GLU  24           HA       GLU  24   1.609  -7.865  -7.865
  208   1HB   GLU  24          1HB       GLU  24   3.989  -7.067  -7.067
  209   2HB   GLU  24          2HB       GLU  24   2.680  -7.547  -7.547
  210   1HG   GLU  24          1HG       GLU  24   2.081  -4.952  -4.952
  211   2HG   GLU  24          2HG       GLU  24   3.644  -4.670  -4.670
  212    H    LYS  25           H        LYS  25   3.537  -8.395  -8.395
  213    HA   LYS  25           HA       LYS  25   3.928  -6.487  -6.487
  214   1HB   LYS  25          1HB       LYS  25   2.805  -9.368  -9.368
  215   2HB   LYS  25          2HB       LYS  25   3.497  -8.568  -8.568
  216   1HG   LYS  25          1HG       LYS  25   1.734  -6.734  -6.734
  217   2HG   LYS  25          2HG       LYS  25   1.081  -7.506  -7.506
  218   1HD   LYS  25          1HD       LYS  25   0.145  -9.299  -9.299
  219   2HD   LYS  25          2HD       LYS  25   1.294  -9.084  -9.084
  220   1HE   LYS  25          1HE       LYS  25   0.237  -6.689  -6.689
  221   2HE   LYS  25          2HE       LYS  25  -1.070  -7.211  -7.211
  222   1HZ   LYS  25          1HZ       LYS  25  -0.830  -9.319  -9.319
  223   2HZ   LYS  25          2HZ       LYS  25  -0.506  -8.022  -8.022
  224   3HZ   LYS  25          3HZ       LYS  25  -1.946  -8.070  -8.070
  225    HA   PRO  26           HA       PRO  26   4.854  -6.609  -6.609
  226   1HB   PRO  26          1HB       PRO  26   7.102  -5.169  -5.169
  227   2HB   PRO  26          2HB       PRO  26   6.829  -6.940  -6.940
  228   1HG   PRO  26          1HG       PRO  26   8.289  -6.089  -6.089
  229   2HG   PRO  26          2HG       PRO  26   8.936  -6.949  -6.949
  230   1HD   PRO  26          1HD       PRO  26   8.042  -8.160  -8.160
  231   2HD   PRO  26          2HD       PRO  26   7.492  -8.817  -8.817
  232    H    LYS  27           H        LYS  27   7.170  -5.346  -5.346
  233    HA   LYS  27           HA       LYS  27   5.609  -2.714  -2.714
  234   1HB   LYS  27          1HB       LYS  27   8.078  -2.930  -2.930
  235   2HB   LYS  27          2HB       LYS  27   7.587  -1.642  -1.642
  236   1HG   LYS  27          1HG       LYS  27   8.401  -4.257  -4.257
  237   2HG   LYS  27          2HG       LYS  27   9.686  -3.405  -3.405
  238   1HD   LYS  27          1HD       LYS  27   9.745  -1.720  -1.720
  239   2HD   LYS  27          2HD       LYS  27   7.982  -1.690  -1.690
  240   1HE   LYS  27          1HE       LYS  27   7.968  -3.368  -3.368
  241   2HE   LYS  27          2HE       LYS  27   9.291  -4.280  -4.280
  242   1HZ   LYS  27          1HZ       LYS  27  10.441  -1.898  -1.898
  243   2HZ   LYS  27          2HZ       LYS  27   9.414  -2.264  -2.264
  244   3HZ   LYS  27          3HZ       LYS  27  10.583  -3.372  -3.372
  245    H    CYS  28           H        CYS  28   4.434  -2.050  -2.050
  246    HA   CYS  28           HA       CYS  28   3.630  -3.840  -3.840
  247   1HB   CYS  28          1HB       CYS  28   2.943  -1.576  -1.576
  248   2HB   CYS  28          2HB       CYS  28   2.133  -2.049  -2.049
  249    H    ALA  29           H        ALA  29   3.763  -2.846  -2.846
  250    HA   ALA  29           HA       ALA  29   6.543  -3.181  -3.181
  251   1HB   ALA  29          1HB       ALA  29   4.458  -3.594  -3.594
  252   2HB   ALA  29          2HB       ALA  29   4.053  -1.862  -1.862
  253   3HB   ALA  29          3HB       ALA  29   5.514  -2.405  -2.405
  254    H    LYS  30           H        LYS  30   4.438  -0.451  -0.451
  255    HA   LYS  30           HA       LYS  30   6.009   1.767   1.767
  256   1HB   LYS  30          1HB       LYS  30   3.760   1.273   1.273
  257   2HB   LYS  30          2HB       LYS  30   4.914   1.917   1.917
  258   1HG   LYS  30          1HG       LYS  30   3.200   3.506   3.506
  259   2HG   LYS  30          2HG       LYS  30   4.729   4.088   4.088
  260   1HD   LYS  30          1HD       LYS  30   5.435   3.003   3.003
  261   2HD   LYS  30          2HD       LYS  30   3.814   3.671   3.671
  262   1HE   LYS  30          1HE       LYS  30   5.103   5.653   5.653
  263   2HE   LYS  30          2HE       LYS  30   6.368   5.151   5.151
  264   1HZ   LYS  30          1HZ       LYS  30   4.025   5.310   5.310
  265   2HZ   LYS  30          2HZ       LYS  30   4.057   6.686   6.686
  266   3HZ   LYS  30          3HZ       LYS  30   5.352   6.342   6.342
  267    H    CYS  31           H        CYS  31   6.082   0.631   0.631
  268    HA   CYS  31           HA       CYS  31   8.331   2.378   2.378
  269   1HB   CYS  31          1HB       CYS  31   7.331  -0.135  -0.135
  270   2HB   CYS  31          2HB       CYS  31   8.415   1.080   1.080
  271    H    LEU  32           H        LEU  32   8.185  -0.960  -0.960
  272    HA   LEU  32           HA       LEU  32  11.046  -1.495  -1.495
  273   1HB   LEU  32          1HB       LEU  32   9.052  -3.172  -3.172
  274   2HB   LEU  32          2HB       LEU  32   9.399  -2.724  -2.724
  275    HG   LEU  32           HG       LEU  32  11.341  -4.130  -4.130
  276   1HD1  LEU  32          1HD1      LEU  32   9.412  -5.556  -5.556
  277   2HD1  LEU  32          2HD1      LEU  32  10.028  -5.245  -5.245
  278   3HD1  LEU  32          3HD1      LEU  32  11.033  -6.140  -6.140
  279   1HD2  LEU  32          1HD2      LEU  32  12.514  -2.575  -2.575
  280   2HD2  LEU  32          2HD2      LEU  32  12.910  -4.287  -4.287
  281   3HD2  LEU  32          3HD2      LEU  32  11.753  -3.441  -3.441
  282    H    LYS  33           H        LYS  33   9.318   0.096   0.096
  283    HA   LYS  33           HA       LYS  33  11.615  -0.023  -0.023
  284   1HB   LYS  33          1HB       LYS  33   8.963   1.591   1.591
  285   2HB   LYS  33          2HB       LYS  33  10.184   1.854   1.854
  286   1HG   LYS  33          1HG       LYS  33   9.920  -0.961  -0.961
  287   2HG   LYS  33          2HG       LYS  33   8.290  -0.469  -0.469
  288   1HD   LYS  33          1HD       LYS  33   8.312  -0.593  -0.593
  289   2HD   LYS  33          2HD       LYS  33   8.402   1.146   1.146
  290   1HE   LYS  33          1HE       LYS  33  10.258   1.070   1.070
  291   2HE   LYS  33          2HE       LYS  33  11.117   0.595   0.595
  292   1HZ   LYS  33          1HZ       LYS  33  10.663  -1.737  -1.737
  293   2HZ   LYS  33          2HZ       LYS  33   9.907  -1.274  -1.274
  294   3HZ   LYS  33          3HZ       LYS  33  11.545  -0.966  -0.966
  295    H    ASN  34           H        ASN  34  10.498   2.078   2.078
  296    HA   ASN  34           HA       ASN  34  12.666   4.090   4.090
  297   1HB   ASN  34          1HB       ASN  34   9.874   4.350   4.350
  298   2HB   ASN  34          2HB       ASN  34  11.061   5.534   5.534
  299   1HD2  ASN  34          1HD2      ASN  34   9.253   5.929   5.929
  300   2HD2  ASN  34          2HD2      ASN  34   9.051   4.367   4.367
  301    H    ASN  35           H        ASN  35  12.499   1.571   1.571
  302    HA   ASN  35           HA       ASN  35  13.166   1.072   1.072
  303   1HB   ASN  35          1HB       ASN  35  15.417   1.558   1.558
  304   2HB   ASN  35          2HB       ASN  35  15.061   3.245   3.245
  305   1HD2  ASN  35          1HD2      ASN  35  15.489   2.934   2.934
  306   2HD2  ASN  35          2HD2      ASN  35  14.223   1.868   1.868
  307    H    TRP  36           H        TRP  36  11.189   1.568   1.568
  308    HA   TRP  36           HA       TRP  36  11.201   4.139   4.139
  309   1HB   TRP  36          1HB       TRP  36   8.947   2.844   2.844
  310   2HB   TRP  36          2HB       TRP  36   8.555   3.960   3.960
  311    HD1  TRP  36           HD1      TRP  36  11.424   5.753   5.753
  312    HE1  TRP  36           HE1      TRP  36  11.061   7.611   7.611
  313    HE3  TRP  36           HE3      TRP  36   7.109   3.818   3.818
  314    HZ2  TRP  36           HZ2      TRP  36   9.030   8.011   8.011
  315    HZ3  TRP  36           HZ3      TRP  36   6.091   4.873   4.873
  316    HH2  TRP  36           HH2      TRP  36   6.981   6.982   6.982
  317    H    GLU  37           H        GLU  37   9.354   3.985   3.985
  318    HA   GLU  37           HA       GLU  37   9.845   1.294   1.294
  319   1HB   GLU  37          1HB       GLU  37  10.757   3.491   3.491
  320   2HB   GLU  37          2HB       GLU  37   9.107   4.021   4.021
  321   1HG   GLU  37          1HG       GLU  37   8.668   2.225   2.225
  322   2HG   GLU  37          2HG       GLU  37  10.161   1.403   1.403
  323    H    CYS  38           H        CYS  38   8.081   0.881   0.881
  324    HA   CYS  38           HA       CYS  38   5.363   1.490   1.490
  325   1HB   CYS  38          1HB       CYS  38   6.463  -0.239  -0.239
  326   2HB   CYS  38          2HB       CYS  38   6.368  -1.430  -1.430
  327    H    ARG  39           H        ARG  39   4.809   2.072   2.072
  328    HA   ARG  39           HA       ARG  39   4.293  -0.310  -0.310
  329   1HB   ARG  39          1HB       ARG  39   5.783   1.727   1.727
  330   2HB   ARG  39          2HB       ARG  39   4.318   2.690   2.690
  331   1HG   ARG  39          1HG       ARG  39   3.677   1.853   1.853
  332   2HG   ARG  39          2HG       ARG  39   3.846   0.189   0.189
  333   1HD   ARG  39          1HD       ARG  39   6.053   0.000   0.000
  334   2HD   ARG  39          2HD       ARG  39   6.425   1.721   1.721
  335    HE   ARG  39           HE       ARG  39   4.868   0.562   0.562
  336   1HH1  ARG  39          1HH1      ARG  39   6.237   3.392   3.392
  337   2HH1  ARG  39          2HH1      ARG  39   6.082   4.373   4.373
  338   1HH2  ARG  39          1HH2      ARG  39   4.731   1.685   1.685
  339   2HH2  ARG  39          2HH2      ARG  39   5.263   3.451   3.451
  340    H    TYR  40           H        TYR  40   2.484  -1.021  -1.021
  341    HA   TYR  40           HA       TYR  40   0.101   0.883   0.883
  342   1HB   TYR  40          1HB       TYR  40  -1.277  -1.219  -1.219
  343   2HB   TYR  40          2HB       TYR  40  -0.432  -0.222  -0.222
  344    HD1  TYR  40           HD1      TYR  40   2.172  -1.166  -1.166
  345    HD2  TYR  40           HD2      TYR  40  -1.102  -3.528  -3.528
  346    HE1  TYR  40           HE1      TYR  40   2.726  -2.970  -2.970
  347    HE2  TYR  40           HE2      TYR  40  -0.628  -5.239  -5.239
  348    HH   TYR  40           HH       TYR  40   2.086  -5.452  -5.452
  349    H    SER  41           H        SER  41   1.265   0.454   0.454
  350    HA   SER  41           HA       SER  41  -1.081  -0.759  -0.759
  351   1HB   SER  41          1HB       SER  41   0.190  -2.779  -2.779
  352   2HB   SER  41          2HB       SER  41   1.737  -1.963  -1.963
  353    HG   SER  41           HG       SER  41  -0.292  -1.829  -1.829
  354    HA   PRO  42           HA       PRO  42   0.030   3.501   3.501
  355   1HB   PRO  42          1HB       PRO  42  -2.647   2.713   2.713
  356   2HB   PRO  42          2HB       PRO  42  -2.058   4.393   4.393
  357   1HG   PRO  42          1HG       PRO  42  -3.591   2.664   2.664
  358   2HG   PRO  42          2HG       PRO  42  -2.116   3.678   3.678
  359   1HD   PRO  42          1HD       PRO  42  -2.609   0.751   0.751
  360   2HD   PRO  42          2HD       PRO  42  -1.670   1.387   1.387
  361    H    LYS  43           H        LYS  43  -1.951   1.876   1.876
  362    HA   LYS  43           HA       LYS  43   0.321   1.939   1.939
  363   1HB   LYS  43          1HB       LYS  43  -0.723   4.405   4.405
  364   2HB   LYS  43          2HB       LYS  43  -2.063   3.781   3.781
  365   1HG   LYS  43          1HG       LYS  43  -0.746   4.580   4.580
  366   2HG   LYS  43          2HG       LYS  43  -0.042   2.968   2.968
  367   1HD   LYS  43          1HD       LYS  43   1.934   3.827   3.827
  368   2HD   LYS  43          2HD       LYS  43   1.116   5.305   5.305
  369   1HE   LYS  43          1HE       LYS  43   2.187   6.225   6.225
  370   2HE   LYS  43          2HE       LYS  43   0.719   5.661   5.661
  371   1HZ   LYS  43          1HZ       LYS  43   2.794   3.648   3.648
  372   2HZ   LYS  43          2HZ       LYS  43   3.172   4.926   4.926
  373   3HZ   LYS  43          3HZ       LYS  43   1.804   3.992   3.992

  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -9.960   9.074   9.074
    2   2H    MET   1          2H        MET   1  -8.836   9.892   9.892
    3   3H    MET   1          3H        MET   1  -9.771  10.737  10.737
    4    HA   MET   1           HA       MET   1 -10.788  11.245  11.245
    5   1HB   MET   1          1HB       MET   1  -9.352   9.186   9.186
    6   2HB   MET   1          2HB       MET   1 -10.859   8.308   8.308
    7   1HG   MET   1          1HG       MET   1 -11.453   9.087   9.087
    8   2HG   MET   1          2HG       MET   1 -11.735  10.658  10.658
    9   1HE   MET   1          1HE       MET   1 -10.189  12.328  12.328
   10   2HE   MET   1          2HE       MET   1  -8.772  12.789  12.789
   11   3HE   MET   1          3HE       MET   1 -10.421  12.861  12.861
   12    H    LYS   2           H        LYS   2 -12.932  10.912  10.912
   13    HA   LYS   2           HA       LYS   2 -14.857  10.668  10.668
   14   1HB   LYS   2          1HB       LYS   2 -14.851  10.340  10.340
   15   2HB   LYS   2          2HB       LYS   2 -16.201   9.514   9.514
   16   1HG   LYS   2          1HG       LYS   2 -16.741  11.761  11.761
   17   2HG   LYS   2          2HG       LYS   2 -15.489  12.520  12.520
   18   1HD   LYS   2          1HD       LYS   2 -18.295  11.830  11.830
   19   2HD   LYS   2          2HD       LYS   2 -17.206  12.953  12.953
   20   1HE   LYS   2          1HE       LYS   2 -16.037  10.941  10.941
   21   2HE   LYS   2          2HE       LYS   2 -17.240   9.866   9.866
   22   1HZ   LYS   2          1HZ       LYS   2 -17.943  12.187  12.187
   23   2HZ   LYS   2          2HZ       LYS   2 -17.807  10.600  10.600
   24   3HZ   LYS   2          3HZ       LYS   2 -18.988  11.007  11.007
   25    H    LEU   3           H        LEU   3 -14.922   8.036   8.036
   26    HA   LEU   3           HA       LEU   3 -14.273   5.960   5.960
   27   1HB   LEU   3          1HB       LEU   3 -16.459   4.912   4.912
   28   2HB   LEU   3          2HB       LEU   3 -16.535   6.573   6.573
   29    HG   LEU   3           HG       LEU   3 -18.577   6.428   6.428
   30   1HD1  LEU   3          1HD1      LEU   3 -16.680   7.276   7.276
   31   2HD1  LEU   3          2HD1      LEU   3 -18.450   7.447   7.447
   32   3HD1  LEU   3          3HD1      LEU   3 -17.532   8.321   8.321
   33   1HD2  LEU   3          1HD2      LEU   3 -17.903   4.000   4.000
   34   2HD2  LEU   3          2HD2      LEU   3 -19.277   4.878   4.878
   35   3HD2  LEU   3          3HD2      LEU   3 -17.711   4.882   4.882
   36    H    LEU   4           H        LEU   4 -15.323   3.788   3.788
   37    HA   LEU   4           HA       LEU   4 -15.627   2.394   2.394
   38   1HB   LEU   4          1HB       LEU   4 -14.821   2.811   2.811
   39   2HB   LEU   4          2HB       LEU   4 -15.377   4.385   4.385
   40    HG   LEU   4           HG       LEU   4 -12.705   3.494   3.494
   41   1HD1  LEU   4          1HD1      LEU   4 -14.481   5.568   5.568
   42   2HD1  LEU   4          2HD1      LEU   4 -13.259   6.431   6.431
   43   3HD1  LEU   4          3HD1      LEU   4 -12.780   5.542   5.542
   44   1HD2  LEU   4          1HD2      LEU   4 -12.803   4.465   4.465
   45   2HD2  LEU   4          2HD2      LEU   4 -11.423   3.864   3.864
   46   3HD2  LEU   4          3HD2      LEU   4 -11.878   5.588   5.588
   47    H    SER   5           H        SER   5 -13.926   2.552   2.552
   48    HA   SER   5           HA       SER   5 -11.819   0.629   0.629
   49   1HB   SER   5          1HB       SER   5 -10.421   2.062   2.062
   50   2HB   SER   5          2HB       SER   5 -10.064   2.080   2.080
   51    HG   SER   5           HG       SER   5 -11.678   3.873   3.873
   52    H    SER   6           H        SER   6 -13.143   2.181   2.181
   53    HA   SER   6           HA       SER   6 -13.658   1.212   1.212
   54   1HB   SER   6          1HB       SER   6 -15.089  -0.729  -0.729
   55   2HB   SER   6          2HB       SER   6 -15.415   0.119   0.119
   56    HG   SER   6           HG       SER   6 -13.947  -2.272  -2.272
   57    H    ILE   7           H        ILE   7 -11.020   1.217   1.217
   58    HA   ILE   7           HA       ILE   7  -9.718  -0.452  -0.452
   59    HB   ILE   7           HB       ILE   7 -10.756  -2.219  -2.219
   60   1HG1  ILE   7          1HG1      ILE   7 -10.828  -3.081  -3.081
   61   2HG1  ILE   7          2HG1      ILE   7  -9.637  -4.067  -4.067
   62   1HG2  ILE   7          1HG2      ILE   7  -7.657  -2.065  -2.065
   63   2HG2  ILE   7          2HG2      ILE   7  -8.535  -3.553  -3.553
   64   3HG2  ILE   7          3HG2      ILE   7  -8.749  -2.055  -2.055
   65   1HD1  ILE   7          1HD1      ILE   7  -7.757  -2.587  -2.587
   66   2HD1  ILE   7          2HD1      ILE   7  -9.000  -1.906  -1.906
   67   3HD1  ILE   7          3HD1      ILE   7  -8.648  -3.642  -3.642
   68    H    GLU   8           H        GLU   8  -7.475  -0.079  -0.079
   69    HA   GLU   8           HA       GLU   8  -6.874   1.906   1.906
   70   1HB   GLU   8          1HB       GLU   8  -4.796   2.203   2.203
   71   2HB   GLU   8          2HB       GLU   8  -6.254   3.165   3.165
   72   1HG   GLU   8          1HG       GLU   8  -7.297   1.497   1.497
   73   2HG   GLU   8          2HG       GLU   8  -5.761   0.672   0.672
   74    H    GLN   9           H        GLN   9  -6.770  -0.568  -0.568
   75    HA   GLN   9           HA       GLN   9  -3.858  -1.202  -1.202
   76   1HB   GLN   9          1HB       GLN   9  -6.452  -2.328  -2.328
   77   2HB   GLN   9          2HB       GLN   9  -5.248  -2.340  -2.340
   78   1HG   GLN   9          1HG       GLN   9  -3.760  -3.832  -3.832
   79   2HG   GLN   9          2HG       GLN   9  -4.475  -3.449  -3.449
   80   1HE2  GLN   9          1HE2      GLN   9  -5.444  -6.886  -6.886
   81   2HE2  GLN   9          2HE2      GLN   9  -3.906  -5.901  -5.901
   82    H    ALA  10           H        ALA  10  -3.485  -1.621  -1.621
   83    HA   ALA  10           HA       ALA  10  -2.477  -0.348  -0.348
   84   1HB   ALA  10          1HB       ALA  10  -4.738   0.616   0.616
   85   2HB   ALA  10          2HB       ALA  10  -4.482   1.855   1.855
   86   3HB   ALA  10          3HB       ALA  10  -3.506   1.870   1.870
   87    H    CYS  11           H        CYS  11  -0.491   0.805   0.805
   88    HA   CYS  11           HA       CYS  11   0.375   1.138   1.138
   89   1HB   CYS  11          1HB       CYS  11   2.678   1.320   1.320
   90   2HB   CYS  11          2HB       CYS  11   1.771  -0.017  -0.017
   91    H    ASP  12           H        ASP  12   2.009   2.833   2.833
   92    HA   ASP  12           HA       ASP  12   0.639   5.389   5.389
   93   1HB   ASP  12          1HB       ASP  12   2.621   4.527   4.527
   94   2HB   ASP  12          2HB       ASP  12   3.700   5.047   5.047
   95    H    ILE  13           H        ILE  13   3.285   4.234   4.234
   96    HA   ILE  13           HA       ILE  13   3.820   6.774   6.774
   97    HB   ILE  13           HB       ILE  13   4.270   3.860   3.860
   98   1HG1  ILE  13          1HG1      ILE  13   5.999   4.732   4.732
   99   2HG1  ILE  13          2HG1      ILE  13   6.714   4.599   4.599
  100   1HG2  ILE  13          1HG2      ILE  13   3.693   5.119   5.119
  101   2HG2  ILE  13          2HG2      ILE  13   5.109   6.109   6.109
  102   3HG2  ILE  13          3HG2      ILE  13   5.294   4.350   4.350
  103   1HD1  ILE  13          1HD1      ILE  13   5.593   7.335   7.335
  104   2HD1  ILE  13          2HD1      ILE  13   7.181   6.799   6.799
  105   3HD1  ILE  13          3HD1      ILE  13   6.862   6.912   6.912
  106    H    CYS  14           H        CYS  14   1.315   4.507   4.507
  107    HA   CYS  14           HA       CYS  14   0.641   5.832   5.832
  108   1HB   CYS  14          1HB       CYS  14  -0.658   3.598   3.598
  109   2HB   CYS  14          2HB       CYS  14  -1.534   4.313   4.313
  110    H    ARG  15           H        ARG  15  -0.426   5.959   5.959
  111    HA   ARG  15           HA       ARG  15  -2.503   7.882   7.882
  112   1HB   ARG  15          1HB       ARG  15  -0.373   7.232   7.232
  113   2HB   ARG  15          2HB       ARG  15  -1.011   8.859   8.859
  114   1HG   ARG  15          1HG       ARG  15  -2.533   7.687   7.687
  115   2HG   ARG  15          2HG       ARG  15  -3.421   7.594   7.594
  116   1HD   ARG  15          1HD       ARG  15  -3.044   5.294   5.294
  117   2HD   ARG  15          2HD       ARG  15  -1.406   5.375   5.375
  118    HE   ARG  15           HE       ARG  15  -2.511   5.707   5.707
  119   1HH1  ARG  15          1HH1      ARG  15  -4.406   4.270   4.270
  120   2HH1  ARG  15          2HH1      ARG  15  -5.526   3.434   3.434
  121   1HH2  ARG  15          1HH2      ARG  15  -3.764   4.775   4.775
  122   2HH2  ARG  15          2HH2      ARG  15  -5.183   3.706   3.706
  123    H    LEU  16           H        LEU  16   0.960   8.621   8.621
  124    HA   LEU  16           HA       LEU  16   0.471  11.530  11.530
  125   1HB   LEU  16          1HB       LEU  16   3.043   9.865   9.865
  126   2HB   LEU  16          2HB       LEU  16   3.039  11.616  11.616
  127    HG   LEU  16           HG       LEU  16   1.764  10.433  10.433
  128   1HD1  LEU  16          1HD1      LEU  16   3.378   8.573   8.573
  129   2HD1  LEU  16          2HD1      LEU  16   4.726   9.733   9.733
  130   3HD1  LEU  16          3HD1      LEU  16   3.865   9.466   9.466
  131   1HD2  LEU  16          1HD2      LEU  16   4.163  12.359  12.359
  132   2HD2  LEU  16          2HD2      LEU  16   2.480  12.812  12.812
  133   3HD2  LEU  16          3HD2      LEU  16   3.434  11.950  11.950
  134    H    LYS  17           H        LYS  17   1.735   9.193   9.193
  135    HA   LYS  17           HA       LYS  17   2.066  11.339  11.339
  136   1HB   LYS  17          1HB       LYS  17   2.251   8.252   8.252
  137   2HB   LYS  17          2HB       LYS  17   2.630   9.333   9.333
  138   1HG   LYS  17          1HG       LYS  17   4.084   9.295   9.295
  139   2HG   LYS  17          2HG       LYS  17   4.692   8.568   8.568
  140   1HD   LYS  17          1HD       LYS  17   3.997  11.479  11.479
  141   2HD   LYS  17          2HD       LYS  17   5.209  11.151  11.151
  142   1HE   LYS  17          1HE       LYS  17   6.827  10.389  10.389
  143   2HE   LYS  17          2HE       LYS  17   5.643   9.599   9.599
  144   1HZ   LYS  17          1HZ       LYS  17   5.408  12.491  12.491
  145   2HZ   LYS  17          2HZ       LYS  17   6.826  11.916  11.916
  146   3HZ   LYS  17          3HZ       LYS  17   5.334  11.450  11.450
  147    H    LYS  18           H        LYS  18  -0.425   9.328   9.328
  148    HA   LYS  18           HA       LYS  18  -2.493   8.649   8.649
  149   1HB   LYS  18          1HB       LYS  18  -2.169  11.403  11.403
  150   2HB   LYS  18          2HB       LYS  18  -3.488  10.326  10.326
  151   1HG   LYS  18          1HG       LYS  18  -3.378  10.321  10.321
  152   2HG   LYS  18          2HG       LYS  18  -3.153  12.000  12.000
  153   1HD   LYS  18          1HD       LYS  18  -5.466  11.982  11.982
  154   2HD   LYS  18          2HD       LYS  18  -5.353  11.343  11.343
  155   1HE   LYS  18          1HE       LYS  18  -6.330   9.369   9.369
  156   2HE   LYS  18          2HE       LYS  18  -4.944   9.046   9.046
  157   1HZ   LYS  18          1HZ       LYS  18  -5.974  10.427  10.427
  158   2HZ   LYS  18          2HZ       LYS  18  -7.309  10.698  10.698
  159   3HZ   LYS  18          3HZ       LYS  18  -6.965   9.144   9.144
  160    H    LEU  19           H        LEU  19  -1.333   6.960   6.960
  161    HA   LEU  19           HA       LEU  19  -1.180   6.696   6.696
  162   1HB   LEU  19          1HB       LEU  19   0.610   5.353   5.353
  163   2HB   LEU  19          2HB       LEU  19   0.556   4.810   4.810
  164    HG   LEU  19           HG       LEU  19   2.122   6.296   6.296
  165   1HD1  LEU  19          1HD1      LEU  19   0.410   8.144   8.144
  166   2HD1  LEU  19          2HD1      LEU  19   0.713   8.542   8.542
  167   3HD1  LEU  19          3HD1      LEU  19   2.000   8.775   8.775
  168   1HD2  LEU  19          1HD2      LEU  19   2.307   6.908   6.908
  169   2HD2  LEU  19          2HD2      LEU  19   3.240   5.685   5.685
  170   3HD2  LEU  19          3HD2      LEU  19   3.509   7.423   7.423
  171    H    LYS  20           H        LYS  20  -1.174   4.348   4.348
  172    HA   LYS  20           HA       LYS  20  -3.484   3.010   3.010
  173   1HB   LYS  20          1HB       LYS  20  -1.906   2.377   2.377
  174   2HB   LYS  20          2HB       LYS  20  -3.026   1.205   1.205
  175   1HG   LYS  20          1HG       LYS  20  -4.432   3.775   3.775
  176   2HG   LYS  20          2HG       LYS  20  -3.597   3.591   3.591
  177   1HD   LYS  20          1HD       LYS  20  -4.779   1.416   1.416
  178   2HD   LYS  20          2HD       LYS  20  -5.469   1.479   1.479
  179   1HE   LYS  20          1HE       LYS  20  -5.917   3.817   3.817
  180   2HE   LYS  20          2HE       LYS  20  -6.972   2.395   2.395
  181   1HZ   LYS  20          1HZ       LYS  20  -7.002   2.816   2.816
  182   2HZ   LYS  20          2HZ       LYS  20  -6.669   4.393   4.393
  183   3HZ   LYS  20          3HZ       LYS  20  -8.048   3.615   3.615
  184    H    CYS  21           H        CYS  21  -3.460   0.950   0.950
  185    HA   CYS  21           HA       CYS  21  -0.658   0.015   0.015
  186   1HB   CYS  21          1HB       CYS  21  -2.019   1.489   1.489
  187   2HB   CYS  21          2HB       CYS  21  -3.042   0.064   0.064
  188    H    SER  22           H        SER  22  -1.100  -1.422  -1.422
  189    HA   SER  22           HA       SER  22  -2.780  -3.668  -3.668
  190   1HB   SER  22          1HB       SER  22  -0.681  -5.088  -5.088
  191   2HB   SER  22          2HB       SER  22  -1.002  -3.696  -3.696
  192    HG   SER  22           HG       SER  22   0.810  -2.826  -2.826
  193    H    LYS  23           H        LYS  23  -0.320  -3.086  -3.086
  194    HA   LYS  23           HA       LYS  23  -0.689  -3.639  -3.639
  195   1HB   LYS  23          1HB       LYS  23  -2.854  -5.520  -5.520
  196   2HB   LYS  23          2HB       LYS  23  -2.418  -5.570  -5.570
  197   1HG   LYS  23          1HG       LYS  23  -2.838  -2.780  -2.780
  198   2HG   LYS  23          2HG       LYS  23  -4.043  -3.541  -3.541
  199   1HD   LYS  23          1HD       LYS  23  -4.414  -4.946  -4.946
  200   2HD   LYS  23          2HD       LYS  23  -3.796  -3.408  -3.408
  201   1HE   LYS  23          1HE       LYS  23  -6.293  -3.266  -3.266
  202   2HE   LYS  23          2HE       LYS  23  -5.528  -2.116  -2.116
  203   1HZ   LYS  23          1HZ       LYS  23  -5.993  -4.824  -4.824
  204   2HZ   LYS  23          2HZ       LYS  23  -7.332  -3.827  -3.827
  205   3HZ   LYS  23          3HZ       LYS  23  -6.070  -3.341  -3.341
  206    H    GLU  24           H        GLU  24   0.608  -5.457  -5.457
  207    HA   GLU  24           HA       GLU  24   1.495  -7.830  -7.830
  208   1HB   GLU  24          1HB       GLU  24   3.912  -7.147  -7.147
  209   2HB   GLU  24          2HB       GLU  24   2.615  -7.474  -7.474
  210   1HG   GLU  24          1HG       GLU  24   2.280  -5.024  -5.024
  211   2HG   GLU  24          2HG       GLU  24   3.438  -4.603  -4.603
  212    H    LYS  25           H        LYS  25   3.478  -8.394  -8.394
  213    HA   LYS  25           HA       LYS  25   3.876  -6.588  -6.588
  214   1HB   LYS  25          1HB       LYS  25   3.005  -9.563  -9.563
  215   2HB   LYS  25          2HB       LYS  25   3.323  -8.544  -8.544
  216   1HG   LYS  25          1HG       LYS  25   1.156  -7.733  -7.733
  217   2HG   LYS  25          2HG       LYS  25   1.327  -7.198  -7.198
  218   1HD   LYS  25          1HD       LYS  25  -0.279  -8.769  -8.769
  219   2HD   LYS  25          2HD       LYS  25   0.989  -9.993  -9.993
  220   1HE   LYS  25          1HE       LYS  25  -0.655 -10.716 -10.716
  221   2HE   LYS  25          2HE       LYS  25   0.499  -9.837  -9.837
  222   1HZ   LYS  25          1HZ       LYS  25  -1.666  -8.294  -8.294
  223   2HZ   LYS  25          2HZ       LYS  25  -2.041  -9.287  -9.287
  224   3HZ   LYS  25          3HZ       LYS  25  -0.892  -8.071  -8.071
  225    HA   PRO  26           HA       PRO  26   4.850  -6.725  -6.725
  226   1HB   PRO  26          1HB       PRO  26   7.110  -5.303  -5.303
  227   2HB   PRO  26          2HB       PRO  26   6.840  -7.084  -7.084
  228   1HG   PRO  26          1HG       PRO  26   8.270  -6.183  -6.183
  229   2HG   PRO  26          2HG       PRO  26   8.933  -7.078  -7.078
  230   1HD   PRO  26          1HD       PRO  26   8.007  -8.233  -8.233
  231   2HD   PRO  26          2HD       PRO  26   7.483  -8.932  -8.932
  232    H    LYS  27           H        LYS  27   7.140  -5.424  -5.424
  233    HA   LYS  27           HA       LYS  27   5.653  -2.772  -2.772
  234   1HB   LYS  27          1HB       LYS  27   7.720  -2.337  -2.337
  235   2HB   LYS  27          2HB       LYS  27   7.817  -1.996  -1.996
  236   1HG   LYS  27          1HG       LYS  27   8.432  -4.816  -4.816
  237   2HG   LYS  27          2HG       LYS  27   9.242  -4.057  -4.057
  238   1HD   LYS  27          1HD       LYS  27  10.257  -4.325  -4.325
  239   2HD   LYS  27          2HD       LYS  27  10.839  -3.130  -3.130
  240   1HE   LYS  27          1HE       LYS  27  10.292  -1.601  -1.601
  241   2HE   LYS  27          2HE       LYS  27   8.683  -1.694  -1.694
  242   1HZ   LYS  27          1HZ       LYS  27   8.301  -3.660  -3.660
  243   2HZ   LYS  27          2HZ       LYS  27   9.679  -3.168  -3.168
  244   3HZ   LYS  27          3HZ       LYS  27   8.356  -2.136  -2.136
  245    H    CYS  28           H        CYS  28   4.356  -2.086  -2.086
  246    HA   CYS  28           HA       CYS  28   3.537  -3.788  -3.788
  247   1HB   CYS  28          1HB       CYS  28   2.895  -1.493  -1.493
  248   2HB   CYS  28          2HB       CYS  28   2.074  -1.961  -1.961
  249    H    ALA  29           H        ALA  29   3.691  -2.760  -2.760
  250    HA   ALA  29           HA       ALA  29   6.433  -3.106  -3.106
  251   1HB   ALA  29          1HB       ALA  29   4.325  -3.373  -3.373
  252   2HB   ALA  29          2HB       ALA  29   3.998  -1.629  -1.629
  253   3HB   ALA  29          3HB       ALA  29   5.426  -2.205  -2.205
  254    H    LYS  30           H        LYS  30   4.483  -0.269  -0.269
  255    HA   LYS  30           HA       LYS  30   6.244   1.850   1.850
  256   1HB   LYS  30          1HB       LYS  30   4.574   1.433   1.433
  257   2HB   LYS  30          2HB       LYS  30   5.249   2.987   2.987
  258   1HG   LYS  30          1HG       LYS  30   3.498   1.494   1.494
  259   2HG   LYS  30          2HG       LYS  30   2.703   2.252   2.252
  260   1HD   LYS  30          1HD       LYS  30   2.758   3.676   3.676
  261   2HD   LYS  30          2HD       LYS  30   3.561   4.471   4.471
  262   1HE   LYS  30          1HE       LYS  30   5.711   4.289   4.289
  263   2HE   LYS  30          2HE       LYS  30   5.397   2.705   2.705
  264   1HZ   LYS  30          1HZ       LYS  30   3.925   3.851   3.851
  265   2HZ   LYS  30          2HZ       LYS  30   4.429   5.331   5.331
  266   3HZ   LYS  30          3HZ       LYS  30   5.542   4.299   4.299
  267    H    CYS  31           H        CYS  31   6.146   0.539   0.539
  268    HA   CYS  31           HA       CYS  31   8.504   2.162   2.162
  269   1HB   CYS  31          1HB       CYS  31   7.187  -0.102  -0.102
  270   2HB   CYS  31          2HB       CYS  31   8.187   1.195   1.195
  271    H    LEU  32           H        LEU  32   8.180  -1.057  -1.057
  272    HA   LEU  32           HA       LEU  32  11.031  -1.701  -1.701
  273   1HB   LEU  32          1HB       LEU  32   9.237  -3.464  -3.464
  274   2HB   LEU  32          2HB       LEU  32   9.144  -2.817  -2.817
  275    HG   LEU  32           HG       LEU  32  11.434  -4.416  -4.416
  276   1HD1  LEU  32          1HD1      LEU  32   9.461  -5.703  -5.703
  277   2HD1  LEU  32          2HD1      LEU  32   9.638  -4.940  -4.940
  278   3HD1  LEU  32          3HD1      LEU  32  10.907  -6.022  -6.022
  279   1HD2  LEU  32          1HD2      LEU  32  11.475  -2.996  -2.996
  280   2HD2  LEU  32          2HD2      LEU  32  12.556  -2.680  -2.680
  281   3HD2  LEU  32          3HD2      LEU  32  12.650  -4.229  -4.229
  282    H    LYS  33           H        LYS  33   9.375  -0.166  -0.166
  283    HA   LYS  33           HA       LYS  33  11.740  -0.379  -0.379
  284   1HB   LYS  33          1HB       LYS  33   9.108   1.265   1.265
  285   2HB   LYS  33          2HB       LYS  33  10.348   1.418   1.418
  286   1HG   LYS  33          1HG       LYS  33  10.048  -1.385  -1.385
  287   2HG   LYS  33          2HG       LYS  33   8.426  -0.871  -0.871
  288   1HD   LYS  33          1HD       LYS  33   7.982  -0.067  -0.067
  289   2HD   LYS  33          2HD       LYS  33   9.635   0.530   0.530
  290   1HE   LYS  33          1HE       LYS  33   8.782  -2.456  -2.456
  291   2HE   LYS  33          2HE       LYS  33   9.223  -1.493  -1.493
  292   1HZ   LYS  33          1HZ       LYS  33  11.395  -1.050  -1.050
  293   2HZ   LYS  33          2HZ       LYS  33  10.966  -2.320  -2.320
  294   3HZ   LYS  33          3HZ       LYS  33  11.159  -2.590  -2.590
  295    H    ASN  34           H        ASN  34  10.626   1.764   1.764
  296    HA   ASN  34           HA       ASN  34  12.636   3.872   3.872
  297   1HB   ASN  34          1HB       ASN  34   9.855   3.989   3.989
  298   2HB   ASN  34          2HB       ASN  34  10.943   5.326   5.326
  299   1HD2  ASN  34          1HD2      ASN  34   8.956   5.092   5.092
  300   2HD2  ASN  34          2HD2      ASN  34   9.040   3.604   3.604
  301    H    ASN  35           H        ASN  35  12.373   1.508   1.508
  302    HA   ASN  35           HA       ASN  35  13.297   1.313   1.313
  303   1HB   ASN  35          1HB       ASN  35  15.446   1.702   1.702
  304   2HB   ASN  35          2HB       ASN  35  15.042   3.282   3.282
  305   1HD2  ASN  35          1HD2      ASN  35  16.012   3.599   3.599
  306   2HD2  ASN  35          2HD2      ASN  35  14.674   2.425   2.425
  307    H    TRP  36           H        TRP  36  10.969   2.487   2.487
  308    HA   TRP  36           HA       TRP  36  11.051   4.614   4.614
  309   1HB   TRP  36          1HB       TRP  36   8.695   3.260   3.260
  310   2HB   TRP  36          2HB       TRP  36   8.463   4.571   4.571
  311    HD1  TRP  36           HD1      TRP  36  11.258   6.149   6.149
  312    HE1  TRP  36           HE1      TRP  36  10.902   7.765   7.765
  313    HE3  TRP  36           HE3      TRP  36   7.028   3.900   3.900
  314    HZ2  TRP  36           HZ2      TRP  36   8.859   7.940   7.940
  315    HZ3  TRP  36           HZ3      TRP  36   5.962   4.776   4.776
  316    HH2  TRP  36           HH2      TRP  36   6.819   6.802   6.802
  317    H    GLU  37           H        GLU  37   9.256   4.326   4.326
  318    HA   GLU  37           HA       GLU  37   9.906   1.612   1.612
  319   1HB   GLU  37          1HB       GLU  37  10.889   3.502   3.502
  320   2HB   GLU  37          2HB       GLU  37   9.406   4.427   4.427
  321   1HG   GLU  37          1HG       GLU  37  10.024   3.402   3.402
  322   2HG   GLU  37          2HG       GLU  37   8.377   3.136   3.136
  323    H    CYS  38           H        CYS  38   8.132   0.934   0.934
  324    HA   CYS  38           HA       CYS  38   5.410   1.523   1.523
  325   1HB   CYS  38          1HB       CYS  38   6.520  -0.310  -0.310
  326   2HB   CYS  38          2HB       CYS  38   6.494  -1.394  -1.394
  327    H    ARG  39           H        ARG  39   4.567   2.122   2.122
  328    HA   ARG  39           HA       ARG  39   4.597   0.205   0.205
  329   1HB   ARG  39          1HB       ARG  39   3.971   3.144   3.144
  330   2HB   ARG  39          2HB       ARG  39   2.913   2.327   2.327
  331   1HG   ARG  39          1HG       ARG  39   5.890   1.785   1.785
  332   2HG   ARG  39          2HG       ARG  39   5.400   3.461   3.461
  333   1HD   ARG  39          1HD       ARG  39   3.433   2.351   2.351
  334   2HD   ARG  39          2HD       ARG  39   4.561   0.972   0.972
  335    HE   ARG  39           HE       ARG  39   5.846   2.222   2.222
  336   1HH1  ARG  39          1HH1      ARG  39   4.300   4.502   4.502
  337   2HH1  ARG  39          2HH1      ARG  39   5.064   5.942   5.942
  338   1HH2  ARG  39          1HH2      ARG  39   6.630   3.829   3.829
  339   2HH2  ARG  39          2HH2      ARG  39   6.329   5.584   5.584
  340    H    TYR  40           H        TYR  40   2.723  -0.621  -0.621
  341    HA   TYR  40           HA       TYR  40   0.357  -0.761  -0.761
  342   1HB   TYR  40          1HB       TYR  40   2.395  -2.912  -2.912
  343   2HB   TYR  40          2HB       TYR  40   0.813  -3.462  -3.462
  344    HD1  TYR  40           HD1      TYR  40  -0.431  -1.550  -1.550
  345    HD2  TYR  40           HD2      TYR  40   2.229  -4.896  -4.896
  346    HE1  TYR  40           HE1      TYR  40  -0.273  -1.752  -1.752
  347    HE2  TYR  40           HE2      TYR  40   2.180  -5.240  -5.240
  348    HH   TYR  40           HH       TYR  40   0.353  -3.036  -3.036
  349    H    SER  41           H        SER  41  -1.147  -0.001  -0.001
  350    HA   SER  41           HA       SER  41  -2.739  -0.151  -0.151
  351   1HB   SER  41          1HB       SER  41  -2.269  -2.926  -2.926
  352   2HB   SER  41          2HB       SER  41  -3.676  -2.265  -2.265
  353    HG   SER  41           HG       SER  41  -1.972  -3.922  -3.922
  354    HA   PRO  42           HA       PRO  42  -1.358   0.174   0.174
  355   1HB   PRO  42          1HB       PRO  42  -2.839  -2.343  -2.343
  356   2HB   PRO  42          2HB       PRO  42  -2.935  -0.593  -0.593
  357   1HG   PRO  42          1HG       PRO  42  -4.879  -1.643  -1.643
  358   2HG   PRO  42          2HG       PRO  42  -4.238   0.133   0.133
  359   1HD   PRO  42          1HD       PRO  42  -3.552  -2.447  -2.447
  360   2HD   PRO  42          2HD       PRO  42  -4.015  -0.792  -0.792
  361    H    LYS  43           H        LYS  43  -1.770  -3.310  -3.310
  362    HA   LYS  43           HA       LYS  43   0.769  -3.379  -3.379
  363   1HB   LYS  43          1HB       LYS  43  -0.985  -5.740  -5.740
  364   2HB   LYS  43          2HB       LYS  43   0.245  -5.825  -5.825
  365   1HG   LYS  43          1HG       LYS  43  -1.094  -4.501  -4.501
  366   2HG   LYS  43          2HG       LYS  43  -2.132  -3.876  -3.876
  367   1HD   LYS  43          1HD       LYS  43  -3.183  -6.134  -6.134
  368   2HD   LYS  43          2HD       LYS  43  -2.009  -6.832  -6.832
  369   1HE   LYS  43          1HE       LYS  43  -2.839  -5.476  -5.476
  370   2HE   LYS  43          2HE       LYS  43  -3.811  -4.445  -4.445
  371   1HZ   LYS  43          1HZ       LYS  43  -4.271  -7.363  -7.363
  372   2HZ   LYS  43          2HZ       LYS  43  -4.931  -6.389  -6.389
  373   3HZ   LYS  43          3HZ       LYS  43  -5.325  -6.120  -6.120

  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -8.295 -12.137 -12.137
    2   2H    MET   1          2H        MET   1  -8.512 -13.759 -13.759
    3   3H    MET   1          3H        MET   1  -7.035 -13.013 -13.013
    4    HA   MET   1           HA       MET   1  -7.711 -11.945 -11.945
    5   1HB   MET   1          1HB       MET   1  -9.451 -14.477 -14.477
    6   2HB   MET   1          2HB       MET   1  -9.553 -13.501 -13.501
    7   1HG   MET   1          1HG       MET   1  -7.248 -13.986 -13.986
    8   2HG   MET   1          2HG       MET   1  -6.853 -14.608 -14.608
    9   1HE   MET   1          1HE       MET   1  -9.003 -14.679 -14.679
   10   2HE   MET   1          2HE       MET   1  -9.090 -16.396 -16.396
   11   3HE   MET   1          3HE       MET   1 -10.298 -15.739 -15.739
   12    H    LYS   2           H        LYS   2  -9.214 -10.847 -10.847
   13    HA   LYS   2           HA       LYS   2 -11.520  -9.827  -9.827
   14   1HB   LYS   2          1HB       LYS   2  -9.160  -8.339  -8.339
   15   2HB   LYS   2          2HB       LYS   2 -10.713  -7.530  -7.530
   16   1HG   LYS   2          1HG       LYS   2  -9.848  -6.707  -6.707
   17   2HG   LYS   2          2HG       LYS   2 -10.981  -7.956  -7.956
   18   1HD   LYS   2          1HD       LYS   2  -9.031  -9.535  -9.535
   19   2HD   LYS   2          2HD       LYS   2  -7.920  -8.291  -8.291
   20   1HE   LYS   2          1HE       LYS   2  -9.780  -7.361  -7.361
   21   2HE   LYS   2          2HE       LYS   2  -8.581  -8.564  -8.564
   22   1HZ   LYS   2          1HZ       LYS   2  -7.968  -6.050  -6.050
   23   2HZ   LYS   2          2HZ       LYS   2  -7.703  -6.336  -6.336
   24   3HZ   LYS   2          3HZ       LYS   2  -6.841  -7.202  -7.202
   25    H    LEU   3           H        LEU   3 -13.335 -10.055 -10.055
   26    HA   LEU   3           HA       LEU   3 -13.546  -9.271  -9.271
   27   1HB   LEU   3          1HB       LEU   3 -14.893 -11.634 -11.634
   28   2HB   LEU   3          2HB       LEU   3 -15.568 -10.981 -10.981
   29    HG   LEU   3           HG       LEU   3 -12.706 -11.610 -11.610
   30   1HD1  LEU   3          1HD1      LEU   3 -13.235 -13.275 -13.275
   31   2HD1  LEU   3          2HD1      LEU   3 -14.509 -13.976 -13.976
   32   3HD1  LEU   3          3HD1      LEU   3 -12.809 -14.069 -14.069
   33   1HD2  LEU   3          1HD2      LEU   3 -15.356 -12.276 -12.276
   34   2HD2  LEU   3          2HD2      LEU   3 -13.874 -11.546 -11.546
   35   3HD2  LEU   3          3HD2      LEU   3 -13.929 -13.286 -13.286
   36    H    LEU   4           H        LEU   4 -14.409  -8.507  -8.507
   37    HA   LEU   4           HA       LEU   4 -16.664  -6.807  -6.807
   38   1HB   LEU   4          1HB       LEU   4 -18.270  -7.742  -7.742
   39   2HB   LEU   4          2HB       LEU   4 -18.107  -8.667  -8.667
   40    HG   LEU   4           HG       LEU   4 -16.795 -10.392 -10.392
   41   1HD1  LEU   4          1HD1      LEU   4 -16.394  -8.318  -8.318
   42   2HD1  LEU   4          2HD1      LEU   4 -16.269 -10.050 -10.050
   43   3HD1  LEU   4          3HD1      LEU   4 -15.193  -9.327  -9.327
   44   1HD2  LEU   4          1HD2      LEU   4 -19.292 -10.469 -10.469
   45   2HD2  LEU   4          2HD2      LEU   4 -18.283 -11.201 -11.201
   46   3HD2  LEU   4          3HD2      LEU   4 -18.961  -9.589  -9.589
   47    H    SER   5           H        SER   5 -14.100  -6.421  -6.421
   48    HA   SER   5           HA       SER   5 -14.876  -4.731  -4.731
   49   1HB   SER   5          1HB       SER   5 -14.460  -7.112  -7.112
   50   2HB   SER   5          2HB       SER   5 -12.772  -6.947  -6.947
   51    HG   SER   5           HG       SER   5 -14.138  -5.024  -5.024
   52    H    SER   6           H        SER   6 -14.268  -3.049  -3.049
   53    HA   SER   6           HA       SER   6 -12.681  -1.316  -1.316
   54   1HB   SER   6          1HB       SER   6 -10.843  -3.322  -3.322
   55   2HB   SER   6          2HB       SER   6 -10.205  -1.798  -1.798
   56    HG   SER   6           HG       SER   6 -11.687  -2.321  -2.321
   57    H    ILE   7           H        ILE   7 -10.057  -1.323  -1.323
   58    HA   ILE   7           HA       ILE   7  -9.573  -2.941  -2.941
   59    HB   ILE   7           HB       ILE   7 -11.766  -1.647  -1.647
   60   1HG1  ILE   7          1HG1      ILE   7 -10.032  -2.788  -2.788
   61   2HG1  ILE   7          2HG1      ILE   7 -11.378  -1.836  -1.836
   62   1HG2  ILE   7          1HG2      ILE   7 -10.712   0.701   0.701
   63   2HG2  ILE   7          2HG2      ILE   7  -9.992   0.751   0.751
   64   3HG2  ILE   7          3HG2      ILE   7 -11.763   0.657   0.657
   65   1HD1  ILE   7          1HD1      ILE   7  -8.545  -0.663  -0.663
   66   2HD1  ILE   7          2HD1      ILE   7  -9.295  -1.253  -1.253
   67   3HD1  ILE   7          3HD1      ILE   7  -9.978   0.152   0.152
   68    H    GLU   8           H        GLU   8  -7.736  -2.786  -2.786
   69    HA   GLU   8           HA       GLU   8  -6.545  -0.047  -0.047
   70   1HB   GLU   8          1HB       GLU   8  -6.452  -2.574  -2.574
   71   2HB   GLU   8          2HB       GLU   8  -4.824  -2.367  -2.367
   72   1HG   GLU   8          1HG       GLU   8  -5.907  -1.283  -1.283
   73   2HG   GLU   8          2HG       GLU   8  -4.329  -0.937  -0.937
   74    H    GLN   9           H        GLN   9  -6.588  -1.848  -1.848
   75    HA   GLN   9           HA       GLN   9  -3.636  -2.005  -2.005
   76   1HB   GLN   9          1HB       GLN   9  -6.177  -2.883  -2.883
   77   2HB   GLN   9          2HB       GLN   9  -4.746  -2.669  -2.669
   78   1HG   GLN   9          1HG       GLN   9  -3.531  -4.452  -4.452
   79   2HG   GLN   9          2HG       GLN   9  -4.532  -4.377  -4.377
   80   1HE2  GLN   9          1HE2      GLN   9  -7.045  -6.372  -6.372
   81   2HE2  GLN   9          2HE2      GLN   9  -7.073  -4.654  -4.654
   82    H    ALA  10           H        ALA  10  -3.385  -1.559  -1.559
   83    HA   ALA  10           HA       ALA  10  -2.668   0.254   0.254
   84   1HB   ALA  10          1HB       ALA  10  -5.011   1.081   1.081
   85   2HB   ALA  10          2HB       ALA  10  -4.734   1.916   1.916
   86   3HB   ALA  10          3HB       ALA  10  -3.901   2.463   2.463
   87    H    CYS  11           H        CYS  11  -0.582   1.077   1.077
   88    HA   CYS  11           HA       CYS  11   0.118   1.139   1.139
   89   1HB   CYS  11          1HB       CYS  11   2.496   1.180   1.180
   90   2HB   CYS  11          2HB       CYS  11   1.542  -0.041  -0.041
   91    H    ASP  12           H        ASP  12   1.845   2.628   2.628
   92    HA   ASP  12           HA       ASP  12   0.711   5.262   5.262
   93   1HB   ASP  12          1HB       ASP  12   2.729   4.068   4.068
   94   2HB   ASP  12          2HB       ASP  12   3.756   4.847   4.847
   95    H    ILE  13           H        ILE  13   3.129   4.047   4.047
   96    HA   ILE  13           HA       ILE  13   3.756   6.673   6.673
   97    HB   ILE  13           HB       ILE  13   4.181   3.775   3.775
   98   1HG1  ILE  13          1HG1      ILE  13   5.951   4.528   4.528
   99   2HG1  ILE  13          2HG1      ILE  13   6.644   4.581   4.581
  100   1HG2  ILE  13          1HG2      ILE  13   3.627   4.892   4.892
  101   2HG2  ILE  13          2HG2      ILE  13   4.824   6.132   6.132
  102   3HG2  ILE  13          3HG2      ILE  13   5.345   4.442   4.442
  103   1HD1  ILE  13          1HD1      ILE  13   5.490   7.241   7.241
  104   2HD1  ILE  13          2HD1      ILE  13   6.616   6.743   6.743
  105   3HD1  ILE  13          3HD1      ILE  13   7.155   6.775   6.775
  106    H    CYS  14           H        CYS  14   1.175   4.503   4.503
  107    HA   CYS  14           HA       CYS  14   0.558   5.707   5.707
  108   1HB   CYS  14          1HB       CYS  14  -0.742   3.555   3.555
  109   2HB   CYS  14          2HB       CYS  14  -1.688   4.274   4.274
  110    H    ARG  15           H        ARG  15  -0.734   5.992   5.992
  111    HA   ARG  15           HA       ARG  15  -2.684   7.972   7.972
  112   1HB   ARG  15          1HB       ARG  15  -1.201   8.946   8.946
  113   2HB   ARG  15          2HB       ARG  15  -2.765   8.154   8.154
  114   1HG   ARG  15          1HG       ARG  15  -1.852   6.053   6.053
  115   2HG   ARG  15          2HG       ARG  15  -0.319   6.293   6.293
  116   1HD   ARG  15          1HD       ARG  15   0.459   6.705   6.705
  117   2HD   ARG  15          2HD       ARG  15  -0.153   8.351   8.351
  118    HE   ARG  15           HE       ARG  15  -1.851   6.177   6.177
  119   1HH1  ARG  15          1HH1      ARG  15  -0.787   9.480   9.480
  120   2HH1  ARG  15          2HH1      ARG  15  -1.857   9.957   9.957
  121   1HH2  ARG  15          1HH2      ARG  15  -2.985   6.768   6.768
  122   2HH2  ARG  15          2HH2      ARG  15  -3.054   8.487   8.487
  123    H    LEU  16           H        LEU  16   0.793   8.560   8.560
  124    HA   LEU  16           HA       LEU  16   0.442  11.493  11.493
  125   1HB   LEU  16          1HB       LEU  16   2.987   9.775   9.775
  126   2HB   LEU  16          2HB       LEU  16   2.986  11.512  11.512
  127    HG   LEU  16           HG       LEU  16   2.894   9.332   9.332
  128   1HD1  LEU  16          1HD1      LEU  16   4.644  11.132  11.132
  129   2HD1  LEU  16          2HD1      LEU  16   3.421  12.374  12.374
  130   3HD1  LEU  16          3HD1      LEU  16   3.827  11.136  11.136
  131   1HD2  LEU  16          1HD2      LEU  16   0.841  11.624  11.624
  132   2HD2  LEU  16          2HD2      LEU  16   0.489   9.881   9.881
  133   3HD2  LEU  16          3HD2      LEU  16   1.384  10.509  10.509
  134    H    LYS  17           H        LYS  17   1.660   9.066   9.066
  135    HA   LYS  17           HA       LYS  17   2.247  11.172  11.172
  136   1HB   LYS  17          1HB       LYS  17   2.509   8.119   8.119
  137   2HB   LYS  17          2HB       LYS  17   2.526   8.852   8.852
  138   1HG   LYS  17          1HG       LYS  17   4.861   8.556   8.556
  139   2HG   LYS  17          2HG       LYS  17   4.508  10.243  10.243
  140   1HD   LYS  17          1HD       LYS  17   4.494  10.828  10.828
  141   2HD   LYS  17          2HD       LYS  17   3.982   9.212   9.212
  142   1HE   LYS  17          1HE       LYS  17   6.410   9.529   9.529
  143   2HE   LYS  17          2HE       LYS  17   6.240   8.244   8.244
  144   1HZ   LYS  17          1HZ       LYS  17   6.418  10.817  10.817
  145   2HZ   LYS  17          2HZ       LYS  17   7.747  10.506  10.506
  146   3HZ   LYS  17          3HZ       LYS  17   7.341   9.433   9.433
  147    H    LYS  18           H        LYS  18  -0.420   9.308   9.308
  148    HA   LYS  18           HA       LYS  18  -2.506   8.885   8.885
  149   1HB   LYS  18          1HB       LYS  18  -1.679  11.433  11.433
  150   2HB   LYS  18          2HB       LYS  18  -3.027  10.472  10.472
  151   1HG   LYS  18          1HG       LYS  18  -4.394  10.947  10.947
  152   2HG   LYS  18          2HG       LYS  18  -3.015  11.114  11.114
  153   1HD   LYS  18          1HD       LYS  18  -3.898  13.140  13.140
  154   2HD   LYS  18          2HD       LYS  18  -4.294  13.252  13.252
  155   1HE   LYS  18          1HE       LYS  18  -2.309  14.419  14.419
  156   2HE   LYS  18          2HE       LYS  18  -1.484  12.863  12.863
  157   1HZ   LYS  18          1HZ       LYS  18  -2.319  14.212  14.212
  158   2HZ   LYS  18          2HZ       LYS  18  -1.018  14.858  14.858
  159   3HZ   LYS  18          3HZ       LYS  18  -0.964  13.265  13.265
  160    H    LEU  19           H        LEU  19  -1.489   6.972   6.972
  161    HA   LEU  19           HA       LEU  19  -0.889   6.543   6.543
  162   1HB   LEU  19          1HB       LEU  19   0.698   5.673   5.673
  163   2HB   LEU  19          2HB       LEU  19   0.690   4.611   4.611
  164    HG   LEU  19           HG       LEU  19   2.167   5.892   5.892
  165   1HD1  LEU  19          1HD1      LEU  19   0.563   7.820   7.820
  166   2HD1  LEU  19          2HD1      LEU  19   1.061   8.490   8.490
  167   3HD1  LEU  19          3HD1      LEU  19   2.228   8.384   8.384
  168   1HD2  LEU  19          1HD2      LEU  19   2.606   6.614   6.614
  169   2HD2  LEU  19          2HD2      LEU  19   3.641   5.676   5.676
  170   3HD2  LEU  19          3HD2      LEU  19   3.595   7.456   7.456
  171    H    LYS  20           H        LYS  20  -1.080   4.387   4.387
  172    HA   LYS  20           HA       LYS  20  -3.393   2.992   2.992
  173   1HB   LYS  20          1HB       LYS  20  -2.253   1.488   1.488
  174   2HB   LYS  20          2HB       LYS  20  -3.873   2.141   2.141
  175   1HG   LYS  20          1HG       LYS  20  -3.412   3.910   3.910
  176   2HG   LYS  20          2HG       LYS  20  -1.968   4.359   4.359
  177   1HD   LYS  20          1HD       LYS  20  -1.881   1.938   1.938
  178   2HD   LYS  20          2HD       LYS  20  -1.930   3.561   3.561
  179   1HE   LYS  20          1HE       LYS  20   0.131   2.642   2.642
  180   2HE   LYS  20          2HE       LYS  20   0.477   2.791   2.791
  181   1HZ   LYS  20          1HZ       LYS  20  -0.610   5.187   5.187
  182   2HZ   LYS  20          2HZ       LYS  20   0.131   4.873   4.873
  183   3HZ   LYS  20          3HZ       LYS  20   1.039   4.861   4.861
  184    H    CYS  21           H        CYS  21  -3.393   1.094   1.094
  185    HA   CYS  21           HA       CYS  21  -0.585   0.052   0.052
  186   1HB   CYS  21          1HB       CYS  21  -1.975   1.450   1.450
  187   2HB   CYS  21          2HB       CYS  21  -2.998   0.015   0.015
  188    H    SER  22           H        SER  22  -0.915  -1.372  -1.372
  189    HA   SER  22           HA       SER  22  -2.598  -3.612  -3.612
  190   1HB   SER  22          1HB       SER  22  -0.380  -5.018  -5.018
  191   2HB   SER  22          2HB       SER  22  -0.807  -3.738  -3.738
  192    HG   SER  22           HG       SER  22   0.967  -3.439  -3.439
  193    H    LYS  23           H        LYS  23  -0.279  -3.079  -3.079
  194    HA   LYS  23           HA       LYS  23  -0.724  -3.688  -3.688
  195   1HB   LYS  23          1HB       LYS  23  -2.851  -5.561  -5.561
  196   2HB   LYS  23          2HB       LYS  23  -2.520  -5.534  -5.534
  197   1HG   LYS  23          1HG       LYS  23  -2.925  -2.842  -2.842
  198   2HG   LYS  23          2HG       LYS  23  -3.775  -3.354  -3.354
  199   1HD   LYS  23          1HD       LYS  23  -5.002  -5.015  -5.015
  200   2HD   LYS  23          2HD       LYS  23  -4.426  -3.800  -3.800
  201   1HE   LYS  23          1HE       LYS  23  -6.653  -3.051  -3.051
  202   2HE   LYS  23          2HE       LYS  23  -5.463  -1.944  -1.944
  203   1HZ   LYS  23          1HZ       LYS  23  -6.279  -4.370  -4.370
  204   2HZ   LYS  23          2HZ       LYS  23  -7.219  -2.976  -2.976
  205   3HZ   LYS  23          3HZ       LYS  23  -5.629  -2.933  -2.933
  206    H    GLU  24           H        GLU  24   0.700  -5.427  -5.427
  207    HA   GLU  24           HA       GLU  24   1.514  -7.810  -7.810
  208   1HB   GLU  24          1HB       GLU  24   3.869  -7.388  -7.388
  209   2HB   GLU  24          2HB       GLU  24   2.550  -7.407  -7.407
  210   1HG   GLU  24          1HG       GLU  24   2.758  -5.034  -5.034
  211   2HG   GLU  24          2HG       GLU  24   3.668  -4.713  -4.713
  212    H    LYS  25           H        LYS  25   3.529  -8.368  -8.368
  213    HA   LYS  25           HA       LYS  25   3.975  -6.548  -6.548
  214   1HB   LYS  25          1HB       LYS  25   3.281  -9.562  -9.562
  215   2HB   LYS  25          2HB       LYS  25   3.484  -8.463  -8.463
  216   1HG   LYS  25          1HG       LYS  25   1.341  -7.421  -7.421
  217   2HG   LYS  25          2HG       LYS  25   1.312  -7.829  -7.829
  218   1HD   LYS  25          1HD       LYS  25  -0.351  -9.188  -9.188
  219   2HD   LYS  25          2HD       LYS  25   0.986 -10.296 -10.296
  220   1HE   LYS  25          1HE       LYS  25   0.405 -10.722 -10.722
  221   2HE   LYS  25          2HE       LYS  25   1.937  -9.835  -9.835
  222   1HZ   LYS  25          1HZ       LYS  25  -0.684  -8.446  -8.446
  223   2HZ   LYS  25          2HZ       LYS  25   0.137  -8.993  -8.993
  224   3HZ   LYS  25          3HZ       LYS  25   0.838  -7.833  -7.833
  225    HA   PRO  26           HA       PRO  26   4.981  -6.796  -6.796
  226   1HB   PRO  26          1HB       PRO  26   7.222  -5.361  -5.361
  227   2HB   PRO  26          2HB       PRO  26   6.999  -7.176  -7.176
  228   1HG   PRO  26          1HG       PRO  26   8.360  -6.105  -6.105
  229   2HG   PRO  26          2HG       PRO  26   9.074  -7.059  -7.059
  230   1HD   PRO  26          1HD       PRO  26   8.135  -8.125  -8.125
  231   2HD   PRO  26          2HD       PRO  26   7.650  -8.911  -8.911
  232    H    LYS  27           H        LYS  27   7.190  -5.337  -5.337
  233    HA   LYS  27           HA       LYS  27   5.583  -2.744  -2.744
  234   1HB   LYS  27          1HB       LYS  27   7.877  -2.582  -2.582
  235   2HB   LYS  27          2HB       LYS  27   7.577  -1.662  -1.662
  236   1HG   LYS  27          1HG       LYS  27   8.455  -3.790  -3.790
  237   2HG   LYS  27          2HG       LYS  27   8.985  -4.407  -4.407
  238   1HD   LYS  27          1HD       LYS  27  10.768  -2.887  -2.887
  239   2HD   LYS  27          2HD       LYS  27   9.859  -1.590  -1.590
  240   1HE   LYS  27          1HE       LYS  27  10.729  -2.163  -2.163
  241   2HE   LYS  27          2HE       LYS  27  10.080  -3.804  -3.804
  242   1HZ   LYS  27          1HZ       LYS  27  12.180  -3.805  -3.805
  243   2HZ   LYS  27          2HZ       LYS  27  12.749  -2.878  -2.878
  244   3HZ   LYS  27          3HZ       LYS  27  12.180  -4.436  -4.436
  245    H    CYS  28           H        CYS  28   4.369  -2.020  -2.020
  246    HA   CYS  28           HA       CYS  28   3.536  -3.760  -3.760
  247   1HB   CYS  28          1HB       CYS  28   2.941  -1.435  -1.435
  248   2HB   CYS  28          2HB       CYS  28   2.061  -1.943  -1.943
  249    H    ALA  29           H        ALA  29   3.694  -2.991  -2.991
  250    HA   ALA  29           HA       ALA  29   6.459  -3.372  -3.372
  251   1HB   ALA  29          1HB       ALA  29   4.361  -3.798  -3.798
  252   2HB   ALA  29          2HB       ALA  29   4.000  -2.055  -2.055
  253   3HB   ALA  29          3HB       ALA  29   5.446  -2.671  -2.671
  254    H    LYS  30           H        LYS  30   4.391  -0.604  -0.604
  255    HA   LYS  30           HA       LYS  30   5.982   1.587   1.587
  256   1HB   LYS  30          1HB       LYS  30   3.755   1.095   1.095
  257   2HB   LYS  30          2HB       LYS  30   4.926   1.859   1.859
  258   1HG   LYS  30          1HG       LYS  30   3.115   3.295   3.295
  259   2HG   LYS  30          2HG       LYS  30   4.675   3.957   3.957
  260   1HD   LYS  30          1HD       LYS  30   5.464   2.918   2.918
  261   2HD   LYS  30          2HD       LYS  30   3.724   2.893   2.893
  262   1HE   LYS  30          1HE       LYS  30   3.677   5.417   5.417
  263   2HE   LYS  30          2HE       LYS  30   5.443   5.380   5.380
  264   1HZ   LYS  30          1HZ       LYS  30   4.518   4.187   4.187
  265   2HZ   LYS  30          2HZ       LYS  30   3.541   5.535   5.535
  266   3HZ   LYS  30          3HZ       LYS  30   5.214   5.709   5.709
  267    H    CYS  31           H        CYS  31   6.034   0.540   0.540
  268    HA   CYS  31           HA       CYS  31   8.279   2.308   2.308
  269   1HB   CYS  31          1HB       CYS  31   7.263  -0.099  -0.099
  270   2HB   CYS  31          2HB       CYS  31   8.302   1.192   1.192
  271    H    LEU  32           H        LEU  32   8.173  -1.113  -1.113
  272    HA   LEU  32           HA       LEU  32  11.060  -1.534  -1.534
  273   1HB   LEU  32          1HB       LEU  32   9.542  -3.495  -3.495
  274   2HB   LEU  32          2HB       LEU  32   8.991  -2.955  -2.955
  275    HG   LEU  32           HG       LEU  32  10.545  -4.994  -4.994
  276   1HD1  LEU  32          1HD1      LEU  32  10.131  -3.565  -3.565
  277   2HD1  LEU  32          2HD1      LEU  32  11.612  -2.671  -2.671
  278   3HD1  LEU  32          3HD1      LEU  32  11.695  -4.417  -4.417
  279   1HD2  LEU  32          1HD2      LEU  32  12.173  -4.050  -4.050
  280   2HD2  LEU  32          2HD2      LEU  32  12.997  -4.615  -4.615
  281   3HD2  LEU  32          3HD2      LEU  32  12.737  -2.875  -2.875
  282    H    LYS  33           H        LYS  33   9.261  -0.208  -0.208
  283    HA   LYS  33           HA       LYS  33  11.559  -0.382  -0.382
  284   1HB   LYS  33          1HB       LYS  33   8.845   1.125   1.125
  285   2HB   LYS  33          2HB       LYS  33  10.058   1.364   1.364
  286   1HG   LYS  33          1HG       LYS  33  10.017  -1.307  -1.307
  287   2HG   LYS  33          2HG       LYS  33   8.526  -1.223  -1.223
  288   1HD   LYS  33          1HD       LYS  33   8.732   0.651   0.651
  289   2HD   LYS  33          2HD       LYS  33   8.750  -1.079  -1.079
  290   1HE   LYS  33          1HE       LYS  33   6.469  -1.187  -1.187
  291   2HE   LYS  33          2HE       LYS  33   6.702  -0.781  -0.781
  292   1HZ   LYS  33          1HZ       LYS  33   6.836   1.602   1.602
  293   2HZ   LYS  33          2HZ       LYS  33   6.344   1.122   1.122
  294   3HZ   LYS  33          3HZ       LYS  33   5.336   0.872   0.872
  295    H    ASN  34           H        ASN  34  10.396   1.833   1.833
  296    HA   ASN  34           HA       ASN  34  12.504   3.857   3.857
  297   1HB   ASN  34          1HB       ASN  34   9.754   4.133   4.133
  298   2HB   ASN  34          2HB       ASN  34  10.933   5.400   5.400
  299   1HD2  ASN  34          1HD2      ASN  34   8.732   5.393   5.393
  300   2HD2  ASN  34          2HD2      ASN  34   8.520   4.104   4.104
  301    H    ASN  35           H        ASN  35  12.459   1.416   1.416
  302    HA   ASN  35           HA       ASN  35  13.028   0.988   0.988
  303   1HB   ASN  35          1HB       ASN  35  15.200   1.791   1.791
  304   2HB   ASN  35          2HB       ASN  35  15.028   3.309   3.309
  305   1HD2  ASN  35          1HD2      ASN  35  15.656   0.740   0.740
  306   2HD2  ASN  35          2HD2      ASN  35  14.022   0.867   0.867
  307    H    TRP  36           H        TRP  36  11.126   1.607   1.607
  308    HA   TRP  36           HA       TRP  36  11.195   4.352   4.352
  309   1HB   TRP  36          1HB       TRP  36   8.946   2.872   2.872
  310   2HB   TRP  36          2HB       TRP  36   8.498   4.050   4.050
  311    HD1  TRP  36           HD1      TRP  36  11.333   5.855   5.855
  312    HE1  TRP  36           HE1      TRP  36  10.921   7.622   7.622
  313    HE3  TRP  36           HE3      TRP  36   7.049   3.750   3.750
  314    HZ2  TRP  36           HZ2      TRP  36   8.852   7.919   7.919
  315    HZ3  TRP  36           HZ3      TRP  36   5.979   4.722   4.722
  316    HH2  TRP  36           HH2      TRP  36   6.832   6.803   6.803
  317    H    GLU  37           H        GLU  37   9.343   4.382   4.382
  318    HA   GLU  37           HA       GLU  37   9.605   1.775   1.775
  319   1HB   GLU  37          1HB       GLU  37  10.373   4.157   4.157
  320   2HB   GLU  37          2HB       GLU  37   8.672   4.524   4.524
  321   1HG   GLU  37          1HG       GLU  37   8.401   2.745   2.745
  322   2HG   GLU  37          2HG       GLU  37  10.006   2.122   2.122
  323    H    CYS  38           H        CYS  38   8.054   0.806   0.806
  324    HA   CYS  38           HA       CYS  38   5.231   1.519   1.519
  325   1HB   CYS  38          1HB       CYS  38   6.430  -0.320  -0.320
  326   2HB   CYS  38          2HB       CYS  38   6.327  -1.388  -1.388
  327    H    ARG  39           H        ARG  39   4.762   2.333   2.333
  328    HA   ARG  39           HA       ARG  39   4.642   0.294   0.294
  329   1HB   ARG  39          1HB       ARG  39   5.196   3.127   3.127
  330   2HB   ARG  39          2HB       ARG  39   3.588   3.011   3.011
  331   1HG   ARG  39          1HG       ARG  39   4.786   2.733   2.733
  332   2HG   ARG  39          2HG       ARG  39   4.817   1.044   1.044
  333   1HD   ARG  39          1HD       ARG  39   7.045   2.981   2.981
  334   2HD   ARG  39          2HD       ARG  39   7.070   2.227   2.227
  335    HE   ARG  39           HE       ARG  39   6.625   0.418   0.418
  336   1HH1  ARG  39          1HH1      ARG  39   8.816   1.495   1.495
  337   2HH1  ARG  39          2HH1      ARG  39   9.945   0.059   0.059
  338   1HH2  ARG  39          1HH2      ARG  39   7.894  -1.104  -1.104
  339   2HH2  ARG  39          2HH2      ARG  39   9.452  -1.355  -1.355
  340    H    TYR  40           H        TYR  40   3.162  -1.004  -1.004
  341    HA   TYR  40           HA       TYR  40   0.335   0.124   0.124
  342   1HB   TYR  40          1HB       TYR  40   0.282  -0.143  -0.143
  343   2HB   TYR  40          2HB       TYR  40   1.972  -0.555  -0.555
  344    HD1  TYR  40           HD1      TYR  40   2.506  -3.132  -3.132
  345    HD2  TYR  40           HD2      TYR  40  -1.019  -1.638  -1.638
  346    HE1  TYR  40           HE1      TYR  40   2.391  -5.176  -5.176
  347    HE2  TYR  40           HE2      TYR  40  -1.100  -3.658  -3.658
  348    HH   TYR  40           HH       TYR  40   1.080  -5.948  -5.948
  349    H    SER  41           H        SER  41  -1.294  -1.250  -1.250
  350    HA   SER  41           HA       SER  41  -2.333  -3.217  -3.217
  351   1HB   SER  41          1HB       SER  41   0.143  -4.748  -4.748
  352   2HB   SER  41          2HB       SER  41  -1.446  -5.433  -5.433
  353    HG   SER  41           HG       SER  41  -0.950  -4.919  -4.919
  354    HA   PRO  42           HA       PRO  42  -1.260  -5.040  -5.040
  355   1HB   PRO  42          1HB       PRO  42   0.698  -6.875  -6.875
  356   2HB   PRO  42          2HB       PRO  42  -0.329  -7.217  -7.217
  357   1HG   PRO  42          1HG       PRO  42  -1.198  -7.884  -7.884
  358   2HG   PRO  42          2HG       PRO  42  -2.272  -7.292  -7.292
  359   1HD   PRO  42          1HD       PRO  42  -1.203  -6.125  -6.125
  360   2HD   PRO  42          2HD       PRO  42  -2.722  -5.675  -5.675
  361    H    LYS  43           H        LYS  43   1.796  -5.403  -5.403
  362    HA   LYS  43           HA       LYS  43   2.932  -3.348  -3.348
  363   1HB   LYS  43          1HB       LYS  43   3.828  -5.922  -5.922
  364   2HB   LYS  43          2HB       LYS  43   4.725  -5.303  -5.303
  365   1HG   LYS  43          1HG       LYS  43   6.058  -3.821  -3.821
  366   2HG   LYS  43          2HG       LYS  43   4.849  -3.731  -3.731
  367   1HD   LYS  43          1HD       LYS  43   5.497  -5.955  -5.955
  368   2HD   LYS  43          2HD       LYS  43   6.432  -6.299  -6.299
  369   1HE   LYS  43          1HE       LYS  43   7.117  -3.831  -3.831
  370   2HE   LYS  43          2HE       LYS  43   7.767  -5.420  -5.420
  371   1HZ   LYS  43          1HZ       LYS  43   8.344  -5.476  -5.476
  372   2HZ   LYS  43          2HZ       LYS  43   8.291  -3.803  -3.803
  373   3HZ   LYS  43          3HZ       LYS  43   9.346  -4.705  -4.705

  Start of MODEL    4
    1   1H    MET   1          1H        MET   1 -16.312  -5.654  -5.654
    2   2H    MET   1          2H        MET   1 -16.744  -5.460  -5.460
    3   3H    MET   1          3H        MET   1 -15.275  -4.859  -4.859
    4    HA   MET   1           HA       MET   1 -16.517  -2.977  -2.977
    5   1HB   MET   1          1HB       MET   1 -18.761  -4.924  -4.924
    6   2HB   MET   1          2HB       MET   1 -18.954  -3.281  -3.281
    7   1HG   MET   1          1HG       MET   1 -18.510  -3.977  -3.977
    8   2HG   MET   1          2HG       MET   1 -20.079  -3.664  -3.664
    9   1HE   MET   1          1HE       MET   1 -21.168  -1.728  -1.728
   10   2HE   MET   1          2HE       MET   1 -20.600  -1.184  -1.184
   11   3HE   MET   1          3HE       MET   1 -20.554  -0.060  -0.060
   12    H    LYS   2           H        LYS   2 -14.811  -2.599  -2.599
   13    HA   LYS   2           HA       LYS   2 -15.904  -1.513  -1.513
   14   1HB   LYS   2          1HB       LYS   2 -13.648  -2.933  -2.933
   15   2HB   LYS   2          2HB       LYS   2 -15.340  -3.211  -3.211
   16   1HG   LYS   2          1HG       LYS   2 -15.537  -5.025  -5.025
   17   2HG   LYS   2          2HG       LYS   2 -14.135  -4.487  -4.487
   18   1HD   LYS   2          1HD       LYS   2 -12.681  -5.207  -5.207
   19   2HD   LYS   2          2HD       LYS   2 -14.149  -5.781  -5.781
   20   1HE   LYS   2          1HE       LYS   2 -14.652  -7.382  -7.382
   21   2HE   LYS   2          2HE       LYS   2 -13.318  -6.755  -6.755
   22   1HZ   LYS   2          1HZ       LYS   2 -12.871  -7.847  -7.847
   23   2HZ   LYS   2          2HZ       LYS   2 -12.844  -8.805  -8.805
   24   3HZ   LYS   2          3HZ       LYS   2 -11.735  -7.553  -7.553
   25    H    LEU   3           H        LEU   3 -14.698  -0.619  -0.619
   26    HA   LEU   3           HA       LEU   3 -11.851   0.002   0.002
   27   1HB   LEU   3          1HB       LEU   3 -14.021   1.347   1.347
   28   2HB   LEU   3          2HB       LEU   3 -12.368   1.925   1.925
   29    HG   LEU   3           HG       LEU   3 -13.533  -0.187  -0.187
   30   1HD1  LEU   3          1HD1      LEU   3 -10.911   1.362   1.362
   31   2HD1  LEU   3          2HD1      LEU   3 -10.955  -0.095  -0.095
   32   3HD1  LEU   3          3HD1      LEU   3 -12.080   1.239   1.239
   33   1HD2  LEU   3          1HD2      LEU   3 -12.645  -1.708  -1.708
   34   2HD2  LEU   3          2HD2      LEU   3 -12.074  -2.091  -2.091
   35   3HD2  LEU   3          3HD2      LEU   3 -11.008  -1.231  -1.231
   36    H    LEU   4           H        LEU   4 -10.794   1.698   1.698
   37    HA   LEU   4           HA       LEU   4 -10.386   3.177   3.177
   38   1HB   LEU   4          1HB       LEU   4 -12.943   4.395   4.395
   39   2HB   LEU   4          2HB       LEU   4 -12.149   5.141   5.141
   40    HG   LEU   4           HG       LEU   4 -10.385   5.974   5.974
   41   1HD1  LEU   4          1HD1      LEU   4  -9.625   3.631   3.631
   42   2HD1  LEU   4          2HD1      LEU   4 -10.700   3.772   3.772
   43   3HD1  LEU   4          3HD1      LEU   4  -9.339   4.901   4.901
   44   1HD2  LEU   4          1HD2      LEU   4 -12.515   5.597   5.597
   45   2HD2  LEU   4          2HD2      LEU   4 -12.445   6.956   6.956
   46   3HD2  LEU   4          3HD2      LEU   4 -11.162   6.732   6.732
   47    H    SER   5           H        SER   5 -13.797   3.721   3.721
   48    HA   SER   5           HA       SER   5 -14.954   3.535   3.535
   49   1HB   SER   5          1HB       SER   5 -14.183   0.644   0.644
   50   2HB   SER   5          2HB       SER   5 -15.787   1.354   1.354
   51    HG   SER   5           HG       SER   5 -15.773   1.142   1.142
   52    H    SER   6           H        SER   6 -14.593   1.677   1.677
   53    HA   SER   6           HA       SER   6 -11.798   2.406   2.406
   54   1HB   SER   6          1HB       SER   6 -12.665   3.763   3.763
   55   2HB   SER   6          2HB       SER   6 -14.311   3.426   3.426
   56    HG   SER   6           HG       SER   6 -12.756   2.185   2.185
   57    H    ILE   7           H        ILE   7 -10.927   0.576   0.576
   58    HA   ILE   7           HA       ILE   7 -10.533  -1.294  -1.294
   59    HB   ILE   7           HB       ILE   7 -12.835  -2.066  -2.066
   60   1HG1  ILE   7          1HG1      ILE   7 -10.843  -3.922  -3.922
   61   2HG1  ILE   7          2HG1      ILE   7 -12.451  -4.288  -4.288
   62   1HG2  ILE   7          1HG2      ILE   7 -13.004  -2.539  -2.539
   63   2HG2  ILE   7          2HG2      ILE   7 -14.200  -3.165  -3.165
   64   3HG2  ILE   7          3HG2      ILE   7 -13.963  -1.420  -1.420
   65   1HD1  ILE   7          1HD1      ILE   7 -13.269  -4.902  -4.902
   66   2HD1  ILE   7          2HD1      ILE   7 -11.671  -4.546  -4.546
   67   3HD1  ILE   7          3HD1      ILE   7 -11.871  -5.887  -5.887
   68    H    GLU   8           H        GLU   8 -10.943  -0.715  -0.715
   69    HA   GLU   8           HA       GLU   8  -9.071  -2.988  -2.988
   70   1HB   GLU   8          1HB       GLU   8 -10.642  -2.749  -2.749
   71   2HB   GLU   8          2HB       GLU   8 -10.919  -1.055  -1.055
   72   1HG   GLU   8          1HG       GLU   8  -9.949  -1.512  -1.512
   73   2HG   GLU   8          2HG       GLU   8  -9.003  -0.359  -0.359
   74    H    GLN   9           H        GLN   9  -7.377  -2.514  -2.514
   75    HA   GLN   9           HA       GLN   9  -6.104   0.113   0.113
   76   1HB   GLN   9          1HB       GLN   9  -5.472  -1.329  -1.329
   77   2HB   GLN   9          2HB       GLN   9  -5.384  -2.745  -2.745
   78   1HG   GLN   9          1HG       GLN   9  -3.078  -2.484  -2.484
   79   2HG   GLN   9          2HG       GLN   9  -3.218  -1.363  -1.363
   80   1HE2  GLN   9          1HE2      GLN   9  -2.814   0.417   0.417
   81   2HE2  GLN   9          2HE2      GLN   9  -4.009  -0.978  -0.978
   82    H    ALA  10           H        ALA  10  -4.340   0.983   0.983
   83    HA   ALA  10           HA       ALA  10  -2.894  -0.478  -0.478
   84   1HB   ALA  10          1HB       ALA  10  -4.721   0.744   0.744
   85   2HB   ALA  10          2HB       ALA  10  -4.247   2.280   2.280
   86   3HB   ALA  10          3HB       ALA  10  -3.151   1.475   1.475
   87    H    CYS  11           H        CYS  11  -0.822   0.453   0.453
   88    HA   CYS  11           HA       CYS  11   0.363   1.037   1.037
   89   1HB   CYS  11          1HB       CYS  11   2.513   1.032   1.032
   90   2HB   CYS  11          2HB       CYS  11   1.483  -0.186  -0.186
   91    H    ASP  12           H        ASP  12   2.057   2.717   2.717
   92    HA   ASP  12           HA       ASP  12   0.544   5.139   5.139
   93   1HB   ASP  12          1HB       ASP  12   2.884   4.218   4.218
   94   2HB   ASP  12          2HB       ASP  12   3.612   5.221   5.221
   95    H    ILE  13           H        ILE  13   3.196   4.545   4.545
   96    HA   ILE  13           HA       ILE  13   2.972   7.303   7.303
   97    HB   ILE  13           HB       ILE  13   4.526   4.762   4.762
   98   1HG1  ILE  13          1HG1      ILE  13   5.209   7.441   7.441
   99   2HG1  ILE  13          2HG1      ILE  13   5.580   5.814   5.814
  100   1HG2  ILE  13          1HG2      ILE  13   4.267   5.838   5.838
  101   2HG2  ILE  13          2HG2      ILE  13   4.937   7.366   7.366
  102   3HG2  ILE  13          3HG2      ILE  13   5.960   5.952   5.952
  103   1HD1  ILE  13          1HD1      ILE  13   6.973   7.091   7.091
  104   2HD1  ILE  13          2HD1      ILE  13   7.657   6.969   6.969
  105   3HD1  ILE  13          3HD1      ILE  13   7.306   5.489   5.489
  106    H    CYS  14           H        CYS  14   1.387   4.466   4.466
  107    HA   CYS  14           HA       CYS  14   0.507   5.658   5.658
  108   1HB   CYS  14          1HB       CYS  14  -0.450   3.314   3.314
  109   2HB   CYS  14          2HB       CYS  14  -1.491   3.878   3.878
  110    H    ARG  15           H        ARG  15  -0.602   5.735   5.735
  111    HA   ARG  15           HA       ARG  15  -2.732   7.616   7.616
  112   1HB   ARG  15          1HB       ARG  15  -2.630   6.884   6.884
  113   2HB   ARG  15          2HB       ARG  15  -0.877   6.899   6.899
  114   1HG   ARG  15          1HG       ARG  15  -1.654   9.698   9.698
  115   2HG   ARG  15          2HG       ARG  15  -2.817   8.968   8.968
  116   1HD   ARG  15          1HD       ARG  15   0.124   8.266   8.266
  117   2HD   ARG  15          2HD       ARG  15  -0.396   9.924   9.924
  118    HE   ARG  15           HE       ARG  15  -1.701   7.407   7.407
  119   1HH1  ARG  15          1HH1      ARG  15  -0.780  10.733  10.733
  120   2HH1  ARG  15          2HH1      ARG  15  -1.397  10.783  10.783
  121   1HH2  ARG  15          1HH2      ARG  15  -2.344   7.537   7.537
  122   2HH2  ARG  15          2HH2      ARG  15  -2.248   9.049   9.049
  123    H    LEU  16           H        LEU  16   0.695   8.421   8.421
  124    HA   LEU  16           HA       LEU  16   0.071  11.319  11.319
  125   1HB   LEU  16          1HB       LEU  16   2.422  11.661  11.661
  126   2HB   LEU  16          2HB       LEU  16   1.920  10.260  10.260
  127    HG   LEU  16           HG       LEU  16   2.917   8.992   8.992
  128   1HD1  LEU  16          1HD1      LEU  16   3.629  11.166  11.166
  129   2HD1  LEU  16          2HD1      LEU  16   4.627  11.548  11.548
  130   3HD1  LEU  16          3HD1      LEU  16   5.038  10.161  10.161
  131   1HD2  LEU  16          1HD2      LEU  16   4.511   9.894   9.894
  132   2HD2  LEU  16          2HD2      LEU  16   3.574   8.391   8.391
  133   3HD2  LEU  16          3HD2      LEU  16   5.039   8.629   8.629
  134    H    LYS  17           H        LYS  17   1.442   8.980   8.980
  135    HA   LYS  17           HA       LYS  17   2.233  11.066  11.066
  136   1HB   LYS  17          1HB       LYS  17   3.009   8.397   8.397
  137   2HB   LYS  17          2HB       LYS  17   2.056   8.190   8.190
  138   1HG   LYS  17          1HG       LYS  17   4.138   8.625   8.625
  139   2HG   LYS  17          2HG       LYS  17   3.561  10.286  10.286
  140   1HD   LYS  17          1HD       LYS  17   5.259  10.829  10.829
  141   2HD   LYS  17          2HD       LYS  17   5.017   9.371   9.371
  142   1HE   LYS  17          1HE       LYS  17   7.261   9.287   9.287
  143   2HE   LYS  17          2HE       LYS  17   6.226   7.949   7.949
  144   1HZ   LYS  17          1HZ       LYS  17   5.506   9.415   9.415
  145   2HZ   LYS  17          2HZ       LYS  17   6.720  10.495  10.495
  146   3HZ   LYS  17          3HZ       LYS  17   7.116   8.933   8.933
  147    H    LYS  18           H        LYS  18  -0.524   9.182   9.182
  148    HA   LYS  18           HA       LYS  18  -2.517   8.756   8.756
  149   1HB   LYS  18          1HB       LYS  18  -1.674  11.432  11.432
  150   2HB   LYS  18          2HB       LYS  18  -2.955  10.483  10.483
  151   1HG   LYS  18          1HG       LYS  18  -4.479  11.134  11.134
  152   2HG   LYS  18          2HG       LYS  18  -3.413  10.581  10.581
  153   1HD   LYS  18          1HD       LYS  18  -3.016  13.286  13.286
  154   2HD   LYS  18          2HD       LYS  18  -4.187  13.097  13.097
  155   1HE   LYS  18          1HE       LYS  18  -1.827  11.776  11.776
  156   2HE   LYS  18          2HE       LYS  18  -1.200  13.224  13.224
  157   1HZ   LYS  18          1HZ       LYS  18  -3.349  14.215  14.215
  158   2HZ   LYS  18          2HZ       LYS  18  -2.863  13.017  13.017
  159   3HZ   LYS  18          3HZ       LYS  18  -1.783  14.219  14.219
  160    H    LEU  19           H        LEU  19  -1.385   6.921   6.921
  161    HA   LEU  19           HA       LEU  19  -0.764   6.673   6.673
  162   1HB   LEU  19          1HB       LEU  19   0.823   5.624   5.624
  163   2HB   LEU  19          2HB       LEU  19   0.895   4.756   4.756
  164    HG   LEU  19           HG       LEU  19   2.284   6.300   6.300
  165   1HD1  LEU  19          1HD1      LEU  19   0.960   8.499   8.499
  166   2HD1  LEU  19          2HD1      LEU  19   2.379   8.795   8.795
  167   3HD1  LEU  19          3HD1      LEU  19   0.851   8.271   8.271
  168   1HD2  LEU  19          1HD2      LEU  19   2.788   6.707   6.707
  169   2HD2  LEU  19          2HD2      LEU  19   3.618   5.588   5.588
  170   3HD2  LEU  19          3HD2      LEU  19   3.895   7.342   7.342
  171    H    LYS  20           H        LYS  20  -0.475   4.261   4.261
  172    HA   LYS  20           HA       LYS  20  -2.995   2.883   2.883
  173   1HB   LYS  20          1HB       LYS  20  -0.874   2.172   2.172
  174   2HB   LYS  20          2HB       LYS  20  -2.167   1.062   1.062
  175   1HG   LYS  20          1HG       LYS  20  -2.377   3.804   3.804
  176   2HG   LYS  20          2HG       LYS  20  -2.989   2.244   2.244
  177   1HD   LYS  20          1HD       LYS  20  -4.542   2.515   2.515
  178   2HD   LYS  20          2HD       LYS  20  -4.121   4.227   4.227
  179   1HE   LYS  20          1HE       LYS  20  -5.246   4.448   4.448
  180   2HE   LYS  20          2HE       LYS  20  -4.940   2.774   2.774
  181   1HZ   LYS  20          1HZ       LYS  20  -6.513   2.065   2.065
  182   2HZ   LYS  20          2HZ       LYS  20  -6.884   3.677   3.677
  183   3HZ   LYS  20          3HZ       LYS  20  -7.223   3.001   3.001
  184    H    CYS  21           H        CYS  21  -3.102   0.946   0.946
  185    HA   CYS  21           HA       CYS  21  -0.457  -0.099  -0.099
  186   1HB   CYS  21          1HB       CYS  21  -1.736   1.632   1.632
  187   2HB   CYS  21          2HB       CYS  21  -2.923   0.347   0.347
  188    H    SER  22           H        SER  22  -1.249  -1.499  -1.499
  189    HA   SER  22           HA       SER  22  -3.043  -3.635  -3.635
  190   1HB   SER  22          1HB       SER  22  -1.096  -5.207  -5.207
  191   2HB   SER  22          2HB       SER  22  -1.504  -3.856  -3.856
  192    HG   SER  22           HG       SER  22   0.653  -4.039  -4.039
  193    H    LYS  23           H        LYS  23  -0.397  -3.036  -3.036
  194    HA   LYS  23           HA       LYS  23  -0.589  -3.521  -3.521
  195   1HB   LYS  23          1HB       LYS  23  -2.843  -5.429  -5.429
  196   2HB   LYS  23          2HB       LYS  23  -2.300  -5.399  -5.399
  197   1HG   LYS  23          1HG       LYS  23  -3.016  -3.055  -3.055
  198   2HG   LYS  23          2HG       LYS  23  -3.181  -2.812  -2.812
  199   1HD   LYS  23          1HD       LYS  23  -5.397  -3.308  -3.308
  200   2HD   LYS  23          2HD       LYS  23  -4.965  -4.974  -4.974
  201   1HE   LYS  23          1HE       LYS  23  -5.288  -2.579  -2.579
  202   2HE   LYS  23          2HE       LYS  23  -6.245  -4.069  -4.069
  203   1HZ   LYS  23          1HZ       LYS  23  -4.019  -5.247  -5.247
  204   2HZ   LYS  23          2HZ       LYS  23  -3.414  -3.736  -3.736
  205   3HZ   LYS  23          3HZ       LYS  23  -4.692  -4.400  -4.400
  206    H    GLU  24           H        GLU  24   0.554  -5.397  -5.397
  207    HA   GLU  24           HA       GLU  24   1.527  -7.740  -7.740
  208   1HB   GLU  24          1HB       GLU  24   3.859  -6.980  -6.980
  209   2HB   GLU  24          2HB       GLU  24   2.501  -7.508  -7.508
  210   1HG   GLU  24          1HG       GLU  24   1.925  -4.808  -4.808
  211   2HG   GLU  24          2HG       GLU  24   3.641  -4.683  -4.683
  212    H    LYS  25           H        LYS  25   3.510  -8.244  -8.244
  213    HA   LYS  25           HA       LYS  25   4.082  -6.240  -6.240
  214   1HB   LYS  25          1HB       LYS  25   2.891  -9.073  -9.073
  215   2HB   LYS  25          2HB       LYS  25   3.638  -8.180  -8.180
  216   1HG   LYS  25          1HG       LYS  25   1.922  -6.267  -6.267
  217   2HG   LYS  25          2HG       LYS  25   1.153  -7.299  -7.299
  218   1HD   LYS  25          1HD       LYS  25   0.730  -7.157  -7.157
  219   2HD   LYS  25          2HD       LYS  25  -0.095  -8.209  -8.209
  220   1HE   LYS  25          1HE       LYS  25   2.472  -9.446  -9.446
  221   2HE   LYS  25          2HE       LYS  25   2.075  -8.929  -8.929
  222   1HZ   LYS  25          1HZ       LYS  25  -0.183 -10.058 -10.058
  223   2HZ   LYS  25          2HZ       LYS  25   1.100 -11.132 -11.132
  224   3HZ   LYS  25          3HZ       LYS  25   0.420 -10.390 -10.390
  225    HA   PRO  26           HA       PRO  26   5.045  -6.501  -6.501
  226   1HB   PRO  26          1HB       PRO  26   7.358  -5.140  -5.140
  227   2HB   PRO  26          2HB       PRO  26   7.057  -6.923  -6.923
  228   1HG   PRO  26          1HG       PRO  26   8.415  -6.032  -6.032
  229   2HG   PRO  26          2HG       PRO  26   9.127  -6.931  -6.931
  230   1HD   PRO  26          1HD       PRO  26   8.110  -8.108  -8.108
  231   2HD   PRO  26          2HD       PRO  26   7.587  -8.753  -8.753
  232    H    LYS  27           H        LYS  27   7.275  -5.254  -5.254
  233    HA   LYS  27           HA       LYS  27   5.639  -2.673  -2.673
  234   1HB   LYS  27          1HB       LYS  27   8.192  -3.064  -3.064
  235   2HB   LYS  27          2HB       LYS  27   7.539  -1.576  -1.576
  236   1HG   LYS  27          1HG       LYS  27   8.641  -1.872  -1.872
  237   2HG   LYS  27          2HG       LYS  27   8.208  -3.578  -3.578
  238   1HD   LYS  27          1HD       LYS  27  10.453  -3.924  -3.924
  239   2HD   LYS  27          2HD       LYS  27  10.145  -3.562  -3.562
  240   1HE   LYS  27          1HE       LYS  27  10.276  -0.978  -0.978
  241   2HE   LYS  27          2HE       LYS  27  11.616  -1.904  -1.904
  242   1HZ   LYS  27          1HZ       LYS  27  11.643  -2.554  -2.554
  243   2HZ   LYS  27          2HZ       LYS  27  11.318  -0.903  -0.903
  244   3HZ   LYS  27          3HZ       LYS  27  12.687  -1.502  -1.502
  245    H    CYS  28           H        CYS  28   4.427  -2.038  -2.038
  246    HA   CYS  28           HA       CYS  28   3.622  -3.820  -3.820
  247   1HB   CYS  28          1HB       CYS  28   2.955  -1.536  -1.536
  248   2HB   CYS  28          2HB       CYS  28   2.126  -2.021  -2.021
  249    H    ALA  29           H        ALA  29   3.769  -2.799  -2.799
  250    HA   ALA  29           HA       ALA  29   6.543  -3.173  -3.173
  251   1HB   ALA  29          1HB       ALA  29   4.467  -3.505  -3.505
  252   2HB   ALA  29          2HB       ALA  29   4.103  -1.766  -1.766
  253   3HB   ALA  29          3HB       ALA  29   5.559  -2.328  -2.328
  254    H    LYS  30           H        LYS  30   4.510  -0.369  -0.369
  255    HA   LYS  30           HA       LYS  30   6.197   1.770   1.770
  256   1HB   LYS  30          1HB       LYS  30   3.852   1.418   1.418
  257   2HB   LYS  30          2HB       LYS  30   4.972   2.009   2.009
  258   1HG   LYS  30          1HG       LYS  30   3.433   3.686   3.686
  259   2HG   LYS  30          2HG       LYS  30   4.979   4.180   4.180
  260   1HD   LYS  30          1HD       LYS  30   4.761   2.958   2.958
  261   2HD   LYS  30          2HD       LYS  30   4.397   4.669   4.669
  262   1HE   LYS  30          1HE       LYS  30   6.741   4.694   4.694
  263   2HE   LYS  30          2HE       LYS  30   7.093   3.217   3.217
  264   1HZ   LYS  30          1HZ       LYS  30   5.975   5.439   5.439
  265   2HZ   LYS  30          2HZ       LYS  30   7.545   5.625   5.625
  266   3HZ   LYS  30          3HZ       LYS  30   7.159   4.320   4.320
  267    H    CYS  31           H        CYS  31   6.081   0.678   0.678
  268    HA   CYS  31           HA       CYS  31   8.334   2.381   2.381
  269   1HB   CYS  31          1HB       CYS  31   7.328  -0.126  -0.126
  270   2HB   CYS  31          2HB       CYS  31   8.260   1.194   1.194
  271    H    LEU  32           H        LEU  32   8.145  -0.951  -0.951
  272    HA   LEU  32           HA       LEU  32  10.958  -1.573  -1.573
  273   1HB   LEU  32          1HB       LEU  32   8.990  -3.241  -3.241
  274   2HB   LEU  32          2HB       LEU  32   9.282  -2.826  -2.826
  275    HG   LEU  32           HG       LEU  32  11.123  -4.366  -4.366
  276   1HD1  LEU  32          1HD1      LEU  32   9.279  -5.645  -5.645
  277   2HD1  LEU  32          2HD1      LEU  32   9.849  -5.103  -5.103
  278   3HD1  LEU  32          3HD1      LEU  32  10.866  -6.165  -6.165
  279   1HD2  LEU  32          1HD2      LEU  32  11.858  -3.316  -3.316
  280   2HD2  LEU  32          2HD2      LEU  32  12.648  -2.887  -2.887
  281   3HD2  LEU  32          3HD2      LEU  32  12.791  -4.534  -4.534
  282    H    LYS  33           H        LYS  33   9.411   0.009   0.009
  283    HA   LYS  33           HA       LYS  33  11.777  -0.305  -0.305
  284   1HB   LYS  33          1HB       LYS  33   9.240   1.480   1.480
  285   2HB   LYS  33          2HB       LYS  33  10.490   1.552   1.552
  286   1HG   LYS  33          1HG       LYS  33   8.375  -0.546  -0.546
  287   2HG   LYS  33          2HG       LYS  33   9.141  -0.041  -0.041
  288   1HD   LYS  33          1HD       LYS  33  11.079  -1.529  -1.529
  289   2HD   LYS  33          2HD       LYS  33  10.472  -1.857  -1.857
  290   1HE   LYS  33          1HE       LYS  33   9.724  -3.756  -3.756
  291   2HE   LYS  33          2HE       LYS  33   8.278  -2.775  -2.775
  292   1HZ   LYS  33          1HZ       LYS  33   9.757  -1.906  -1.906
  293   2HZ   LYS  33          2HZ       LYS  33   9.231  -3.500  -3.500
  294   3HZ   LYS  33          3HZ       LYS  33   8.123  -2.267  -2.267
  295    H    ASN  34           H        ASN  34  10.642   1.971   1.971
  296    HA   ASN  34           HA       ASN  34  12.967   3.824   3.824
  297   1HB   ASN  34          1HB       ASN  34  10.131   4.293   4.293
  298   2HB   ASN  34          2HB       ASN  34  11.366   5.393   5.393
  299   1HD2  ASN  34          1HD2      ASN  34   9.783   5.892   5.892
  300   2HD2  ASN  34          2HD2      ASN  34   9.476   4.316   4.316
  301    H    ASN  35           H        ASN  35  12.522   1.352   1.352
  302    HA   ASN  35           HA       ASN  35  12.987   0.820   0.820
  303   1HB   ASN  35          1HB       ASN  35  15.296   1.251   1.251
  304   2HB   ASN  35          2HB       ASN  35  15.117   2.982   2.982
  305   1HD2  ASN  35          1HD2      ASN  35  15.224   1.633   1.633
  306   2HD2  ASN  35          2HD2      ASN  35  13.796   1.200   1.200
  307    H    TRP  36           H        TRP  36  11.050   1.456   1.456
  308    HA   TRP  36           HA       TRP  36  11.187   4.055   4.055
  309   1HB   TRP  36          1HB       TRP  36   8.844   2.933   2.933
  310   2HB   TRP  36          2HB       TRP  36   8.576   4.125   4.125
  311    HD1  TRP  36           HD1      TRP  36  11.561   5.646   5.646
  312    HE1  TRP  36           HE1      TRP  36  11.429   7.423   7.423
  313    HE3  TRP  36           HE3      TRP  36   7.217   3.915   3.915
  314    HZ2  TRP  36           HZ2      TRP  36   9.520   7.871   7.871
  315    HZ3  TRP  36           HZ3      TRP  36   6.366   4.949   4.949
  316    HH2  TRP  36           HH2      TRP  36   7.456   6.932   6.932
  317    H    GLU  37           H        GLU  37   9.313   4.062   4.062
  318    HA   GLU  37           HA       GLU  37   9.642   1.397   1.397
  319   1HB   GLU  37          1HB       GLU  37  10.390   3.847   3.847
  320   2HB   GLU  37          2HB       GLU  37   8.702   4.034   4.034
  321   1HG   GLU  37          1HG       GLU  37   9.309   3.164   3.164
  322   2HG   GLU  37          2HG       GLU  37   9.196   1.602   1.602
  323    H    CYS  38           H        CYS  38   7.946   0.960   0.960
  324    HA   CYS  38           HA       CYS  38   5.213   1.535   1.535
  325   1HB   CYS  38          1HB       CYS  38   6.341  -0.217  -0.217
  326   2HB   CYS  38          2HB       CYS  38   6.315  -1.369  -1.369
  327    H    ARG  39           H        ARG  39   4.593   2.167   2.167
  328    HA   ARG  39           HA       ARG  39   4.563   0.055   0.055
  329   1HB   ARG  39          1HB       ARG  39   5.497   2.522   2.522
  330   2HB   ARG  39          2HB       ARG  39   3.828   3.057   3.057
  331   1HG   ARG  39          1HG       ARG  39   3.563   2.556   2.556
  332   2HG   ARG  39          2HG       ARG  39   4.029   0.881   0.881
  333   1HD   ARG  39          1HD       ARG  39   5.489   2.235   2.235
  334   2HD   ARG  39          2HD       ARG  39   6.383   1.358   1.358
  335    HE   ARG  39           HE       ARG  39   6.969   3.418   3.418
  336   1HH1  ARG  39          1HH1      ARG  39   4.565   4.057   4.057
  337   2HH1  ARG  39          2HH1      ARG  39   4.817   5.882   5.882
  338   1HH2  ARG  39          1HH2      ARG  39   7.188   5.400   5.400
  339   2HH2  ARG  39          2HH2      ARG  39   6.244   6.618   6.618
  340    H    TYR  40           H        TYR  40   2.971  -1.233  -1.233
  341    HA   TYR  40           HA       TYR  40   0.182   0.012   0.012
  342   1HB   TYR  40          1HB       TYR  40   0.702  -3.033  -3.033
  343   2HB   TYR  40          2HB       TYR  40  -0.757  -2.214  -2.214
  344    HD1  TYR  40           HD1      TYR  40  -0.971  -1.139  -1.139
  345    HD2  TYR  40           HD2      TYR  40   2.538  -3.374  -3.374
  346    HE1  TYR  40           HE1      TYR  40  -0.558  -1.694  -1.694
  347    HE2  TYR  40           HE2      TYR  40   2.657  -4.274  -4.274
  348    HH   TYR  40           HH       TYR  40   1.029  -2.654  -2.654
  349    H    SER  41           H        SER  41  -0.903   0.245   0.245
  350    HA   SER  41           HA       SER  41  -1.115   0.405   0.405
  351   1HB   SER  41          1HB       SER  41  -2.144  -1.471  -1.471
  352   2HB   SER  41          2HB       SER  41  -2.308  -1.849  -1.849
  353    HG   SER  41           HG       SER  41  -0.297  -3.152  -3.152
  354    HA   PRO  42           HA       PRO  42   3.396   0.403   0.403
  355   1HB   PRO  42          1HB       PRO  42   2.246   2.830   2.830
  356   2HB   PRO  42          2HB       PRO  42   3.841   2.634   2.634
  357   1HG   PRO  42          1HG       PRO  42   1.528   3.825   3.825
  358   2HG   PRO  42          2HG       PRO  42   2.703   2.672   2.672
  359   1HD   PRO  42          1HD       PRO  42   0.026   2.329   2.329
  360   2HD   PRO  42          2HD       PRO  42   0.430   1.817   1.817
  361    H    LYS  43           H        LYS  43   1.362   1.955   1.955
  362    HA   LYS  43           HA       LYS  43   1.647   1.829   1.829
  363   1HB   LYS  43          1HB       LYS  43   0.643  -0.113  -0.113
  364   2HB   LYS  43          2HB       LYS  43   0.168  -0.242  -0.242
  365   1HG   LYS  43          1HG       LYS  43   2.812  -1.597  -1.597
  366   2HG   LYS  43          2HG       LYS  43   1.469  -2.234  -2.234
  367   1HD   LYS  43          1HD       LYS  43   0.711  -1.888  -1.888
  368   2HD   LYS  43          2HD       LYS  43   2.228  -2.801  -2.801
  369   1HE   LYS  43          1HE       LYS  43   0.814  -4.625  -4.625
  370   2HE   LYS  43          2HE       LYS  43   0.829  -4.035  -4.035
  371   1HZ   LYS  43          1HZ       LYS  43  -1.063  -2.594  -2.594
  372   2HZ   LYS  43          2HZ       LYS  43  -1.364  -4.249  -4.249
  373   3HZ   LYS  43          3HZ       LYS  43  -1.282  -3.435  -3.435

  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -18.705  10.088  10.088
    2   2H    MET   1          2H        MET   1 -17.934   9.434   9.434
    3   3H    MET   1          3H        MET   1 -18.938   8.471   8.471
    4    HA   MET   1           HA       MET   1 -17.197   7.799   7.799
    5   1HB   MET   1          1HB       MET   1 -15.971   9.832   9.832
    6   2HB   MET   1          2HB       MET   1 -15.073   9.637   9.637
    7   1HG   MET   1          1HG       MET   1 -14.081   8.093   8.093
    8   2HG   MET   1          2HG       MET   1 -14.976   7.107   7.107
    9   1HE   MET   1          1HE       MET   1 -15.477   5.319   5.319
   10   2HE   MET   1          2HE       MET   1 -17.200   5.250   5.250
   11   3HE   MET   1          3HE       MET   1 -15.927   4.758   4.758
   12    H    LYS   2           H        LYS   2 -17.540   7.888   7.888
   13    HA   LYS   2           HA       LYS   2 -17.108  10.582  10.582
   14   1HB   LYS   2          1HB       LYS   2 -19.061   8.703   8.703
   15   2HB   LYS   2          2HB       LYS   2 -19.140  10.451  10.451
   16   1HG   LYS   2          1HG       LYS   2 -19.893  10.188  10.188
   17   2HG   LYS   2          2HG       LYS   2 -19.729   8.439   8.439
   18   1HD   LYS   2          1HD       LYS   2 -21.591   8.414   8.414
   19   2HD   LYS   2          2HD       LYS   2 -21.649  10.188  10.188
   20   1HE   LYS   2          1HE       LYS   2 -23.273   9.864   9.864
   21   2HE   LYS   2          2HE       LYS   2 -21.864   9.782   9.782
   22   1HZ   LYS   2          1HZ       LYS   2 -22.688   7.318   7.318
   23   2HZ   LYS   2          2HZ       LYS   2 -23.600   7.859   7.859
   24   3HZ   LYS   2          3HZ       LYS   2 -21.964   7.524   7.524
   25    H    LEU   3           H        LEU   3 -15.217  10.331  10.331
   26    HA   LEU   3           HA       LEU   3 -14.571   7.650   7.650
   27   1HB   LEU   3          1HB       LEU   3 -12.953   8.307   8.307
   28   2HB   LEU   3          2HB       LEU   3 -12.846   9.945   9.945
   29    HG   LEU   3           HG       LEU   3 -11.853   8.698   8.698
   30   1HD1  LEU   3          1HD1      LEU   3 -11.813   6.606   6.606
   31   2HD1  LEU   3          2HD1      LEU   3 -10.280   6.800   6.800
   32   3HD1  LEU   3          3HD1      LEU   3 -11.782   6.417   6.417
   33   1HD2  LEU   3          1HD2      LEU   3 -10.680  10.401  10.401
   34   2HD2  LEU   3          2HD2      LEU   3  -9.611   9.266   9.266
   35   3HD2  LEU   3          3HD2      LEU   3 -10.037   8.984   8.984
   36    H    LEU   4           H        LEU   4 -14.358   7.336   7.336
   37    HA   LEU   4           HA       LEU   4 -13.338   9.592   9.592
   38   1HB   LEU   4          1HB       LEU   4 -15.138   9.372   9.372
   39   2HB   LEU   4          2HB       LEU   4 -15.804   9.893   9.893
   40    HG   LEU   4           HG       LEU   4 -16.086   7.065   7.065
   41   1HD1  LEU   4          1HD1      LEU   4 -15.549   7.534   7.534
   42   2HD1  LEU   4          2HD1      LEU   4 -17.312   7.782   7.782
   43   3HD1  LEU   4          3HD1      LEU   4 -16.628   6.242   6.242
   44   1HD2  LEU   4          1HD2      LEU   4 -17.734   9.127   9.127
   45   2HD2  LEU   4          2HD2      LEU   4 -18.397   7.529   7.529
   46   3HD2  LEU   4          3HD2      LEU   4 -18.388   8.791   8.791
   47    H    SER   5           H        SER   5 -11.531   8.604   8.604
   48    HA   SER   5           HA       SER   5 -11.270   5.736   5.736
   49   1HB   SER   5          1HB       SER   5  -9.017   6.635   6.635
   50   2HB   SER   5          2HB       SER   5  -9.127   6.518   6.518
   51    HG   SER   5           HG       SER   5  -9.034   8.727   8.727
   52    H    SER   6           H        SER   6 -11.086   4.372   4.372
   53    HA   SER   6           HA       SER   6 -11.142   4.853   4.853
   54   1HB   SER   6          1HB       SER   6 -13.469   6.046   6.046
   55   2HB   SER   6          2HB       SER   6 -14.084   4.511   4.511
   56    HG   SER   6           HG       SER   6 -14.177   5.958   5.958
   57    H    ILE   7           H        ILE   7 -11.695   3.133   3.133
   58    HA   ILE   7           HA       ILE   7 -12.545   0.563   0.563
   59    HB   ILE   7           HB       ILE   7 -10.519  -0.778  -0.778
   60   1HG1  ILE   7          1HG1      ILE   7  -8.773   1.185   1.185
   61   2HG1  ILE   7          2HG1      ILE   7  -8.674  -0.074  -0.074
   62   1HG2  ILE   7          1HG2      ILE   7 -12.627   0.106   0.106
   63   2HG2  ILE   7          2HG2      ILE   7 -11.279   0.686   0.686
   64   3HG2  ILE   7          3HG2      ILE   7 -11.386  -1.012  -1.012
   65   1HD1  ILE   7          1HD1      ILE   7 -10.156   2.462   2.462
   66   2HD1  ILE   7          2HD1      ILE   7  -8.386   2.448   2.448
   67   3HD1  ILE   7          3HD1      ILE   7  -9.240   1.295   1.295
   68    H    GLU   8           H        GLU   8  -9.441  -0.226  -0.226
   69    HA   GLU   8           HA       GLU   8 -10.134  -0.105  -0.105
   70   1HB   GLU   8          1HB       GLU   8  -9.893  -2.420  -2.420
   71   2HB   GLU   8          2HB       GLU   8  -8.798  -2.577  -2.577
   72   1HG   GLU   8          1HG       GLU   8 -10.556  -3.513  -3.513
   73   2HG   GLU   8          2HG       GLU   8 -11.215  -1.904  -1.904
   74    H    GLN   9           H        GLN   9  -7.823  -1.891  -1.891
   75    HA   GLN   9           HA       GLN   9  -6.138   0.263   0.263
   76   1HB   GLN   9          1HB       GLN   9  -4.841  -1.450  -1.450
   77   2HB   GLN   9          2HB       GLN   9  -6.307  -2.364  -2.364
   78   1HG   GLN   9          1HG       GLN   9  -5.203  -3.107  -3.107
   79   2HG   GLN   9          2HG       GLN   9  -3.734  -2.310  -2.310
   80   1HE2  GLN   9          1HE2      GLN   9  -2.880  -5.113  -5.113
   81   2HE2  GLN   9          2HE2      GLN   9  -2.587  -3.314  -3.314
   82    H    ALA  10           H        ALA  10  -4.221   1.066   1.066
   83    HA   ALA  10           HA       ALA  10  -2.851   0.120   0.120
   84   1HB   ALA  10          1HB       ALA  10  -4.556   1.657   1.657
   85   2HB   ALA  10          2HB       ALA  10  -4.044   2.989   2.989
   86   3HB   ALA  10          3HB       ALA  10  -2.941   2.368   2.368
   87    H    CYS  11           H        CYS  11  -0.674   0.861   0.861
   88    HA   CYS  11           HA       CYS  11   0.325   1.048   1.048
   89   1HB   CYS  11          1HB       CYS  11   2.601   1.222   1.222
   90   2HB   CYS  11          2HB       CYS  11   1.615  -0.103  -0.103
   91    H    ASP  12           H        ASP  12   2.076   2.580   2.580
   92    HA   ASP  12           HA       ASP  12   0.835   5.178   5.178
   93   1HB   ASP  12          1HB       ASP  12   2.826   4.056   4.056
   94   2HB   ASP  12          2HB       ASP  12   3.886   4.723   4.723
   95    H    ILE  13           H        ILE  13   3.049   3.967   3.967
   96    HA   ILE  13           HA       ILE  13   3.729   6.673   6.673
   97    HB   ILE  13           HB       ILE  13   4.283   3.789   3.789
   98   1HG1  ILE  13          1HG1      ILE  13   5.978   4.499   4.499
   99   2HG1  ILE  13          2HG1      ILE  13   6.723   4.705   4.705
  100   1HG2  ILE  13          1HG2      ILE  13   3.742   5.142   5.142
  101   2HG2  ILE  13          2HG2      ILE  13   5.180   6.126   6.126
  102   3HG2  ILE  13          3HG2      ILE  13   5.367   4.417   4.417
  103   1HD1  ILE  13          1HD1      ILE  13   5.650   7.254   7.254
  104   2HD1  ILE  13          2HD1      ILE  13   6.100   6.845   6.845
  105   3HD1  ILE  13          3HD1      ILE  13   7.319   6.780   6.780
  106    H    CYS  14           H        CYS  14   1.266   4.382   4.382
  107    HA   CYS  14           HA       CYS  14   0.550   5.713   5.713
  108   1HB   CYS  14          1HB       CYS  14  -0.622   3.417   3.417
  109   2HB   CYS  14          2HB       CYS  14  -1.649   4.187   4.187
  110    H    ARG  15           H        ARG  15  -0.556   5.771   5.771
  111    HA   ARG  15           HA       ARG  15  -2.665   7.654   7.654
  112   1HB   ARG  15          1HB       ARG  15  -0.821   8.480   8.480
  113   2HB   ARG  15          2HB       ARG  15  -2.468   7.887   7.887
  114   1HG   ARG  15          1HG       ARG  15  -0.632   5.596   5.596
  115   2HG   ARG  15          2HG       ARG  15   0.001   6.531   6.531
  116   1HD   ARG  15          1HD       ARG  15  -2.962   6.054   6.054
  117   2HD   ARG  15          2HD       ARG  15  -2.001   4.554   4.554
  118    HE   ARG  15           HE       ARG  15  -1.029   5.077   5.077
  119   1HH1  ARG  15          1HH1      ARG  15  -2.633   7.920   7.920
  120   2HH1  ARG  15          2HH1      ARG  15  -2.400   8.813   8.813
  121   1HH2  ARG  15          1HH2      ARG  15  -0.814   6.105   6.105
  122   2HH2  ARG  15          2HH2      ARG  15  -1.412   7.832   7.832
  123    H    LEU  16           H        LEU  16   0.768   8.460   8.460
  124    HA   LEU  16           HA       LEU  16   0.177  11.367  11.367
  125   1HB   LEU  16          1HB       LEU  16   2.825   9.772   9.772
  126   2HB   LEU  16          2HB       LEU  16   2.768  11.523  11.523
  127    HG   LEU  16           HG       LEU  16   3.287  10.328  10.328
  128   1HD1  LEU  16          1HD1      LEU  16   2.607  12.744  12.744
  129   2HD1  LEU  16          2HD1      LEU  16   0.889  12.288  12.288
  130   3HD1  LEU  16          3HD1      LEU  16   1.980  11.978  11.978
  131   1HD2  LEU  16          1HD2      LEU  16   0.256   9.674   9.674
  132   2HD2  LEU  16          2HD2      LEU  16   1.601   8.506   8.506
  133   3HD2  LEU  16          3HD2      LEU  16   1.298   9.542   9.542
  134    H    LYS  17           H        LYS  17   1.552   8.976   8.976
  135    HA   LYS  17           HA       LYS  17   2.239  11.064  11.064
  136   1HB   LYS  17          1HB       LYS  17   2.987   8.323   8.323
  137   2HB   LYS  17          2HB       LYS  17   2.153   8.215   8.215
  138   1HG   LYS  17          1HG       LYS  17   4.736   8.543   8.543
  139   2HG   LYS  17          2HG       LYS  17   3.786   9.607   9.607
  140   1HD   LYS  17          1HD       LYS  17   4.366  11.514  11.514
  141   2HD   LYS  17          2HD       LYS  17   4.540  10.594  10.594
  142   1HE   LYS  17          1HE       LYS  17   6.816  11.232  11.232
  143   2HE   LYS  17          2HE       LYS  17   6.640   9.470   9.470
  144   1HZ   LYS  17          1HZ       LYS  17   5.639  10.583  10.583
  145   2HZ   LYS  17          2HZ       LYS  17   7.208  11.120  11.120
  146   3HZ   LYS  17          3HZ       LYS  17   6.879   9.471   9.471
  147    H    LYS  18           H        LYS  18  -0.467   9.196   9.196
  148    HA   LYS  18           HA       LYS  18  -2.502   8.762   8.762
  149   1HB   LYS  18          1HB       LYS  18  -1.627  11.324  11.324
  150   2HB   LYS  18          2HB       LYS  18  -2.970  10.368  10.368
  151   1HG   LYS  18          1HG       LYS  18  -4.388  11.013  11.013
  152   2HG   LYS  18          2HG       LYS  18  -3.116  10.849  10.849
  153   1HD   LYS  18          1HD       LYS  18  -2.491  13.113  13.113
  154   2HD   LYS  18          2HD       LYS  18  -2.926  13.187  13.187
  155   1HE   LYS  18          1HE       LYS  18  -5.237  13.536  13.536
  156   2HE   LYS  18          2HE       LYS  18  -5.222  12.647  12.647
  157   1HZ   LYS  18          1HZ       LYS  18  -3.467  14.812  14.812
  158   2HZ   LYS  18          2HZ       LYS  18  -4.887  15.402  15.402
  159   3HZ   LYS  18          3HZ       LYS  18  -4.939  14.553  14.553
  160    H    LEU  19           H        LEU  19  -1.447   6.862   6.862
  161    HA   LEU  19           HA       LEU  19  -0.933   6.445   6.445
  162   1HB   LEU  19          1HB       LEU  19   0.737   5.494   5.494
  163   2HB   LEU  19          2HB       LEU  19   0.708   4.529   4.529
  164    HG   LEU  19           HG       LEU  19   1.984   6.064   6.064
  165   1HD1  LEU  19          1HD1      LEU  19   0.934   8.217   8.217
  166   2HD1  LEU  19          2HD1      LEU  19   2.352   8.525   8.525
  167   3HD1  LEU  19          3HD1      LEU  19   0.785   8.146   8.146
  168   1HD2  LEU  19          1HD2      LEU  19   3.044   5.280   5.280
  169   2HD2  LEU  19          2HD2      LEU  19   3.964   6.094   6.094
  170   3HD2  LEU  19          3HD2      LEU  19   3.308   7.044   7.044
  171    H    LYS  20           H        LYS  20  -1.037   4.221   4.221
  172    HA   LYS  20           HA       LYS  20  -3.356   2.842   2.842
  173   1HB   LYS  20          1HB       LYS  20  -2.643   1.092   1.092
  174   2HB   LYS  20          2HB       LYS  20  -3.791   2.409   2.409
  175   1HG   LYS  20          1HG       LYS  20  -1.159   3.589   3.589
  176   2HG   LYS  20          2HG       LYS  20  -1.138   2.029   2.029
  177   1HD   LYS  20          1HD       LYS  20  -3.252   2.735   2.735
  178   2HD   LYS  20          2HD       LYS  20  -3.223   4.284   4.284
  179   1HE   LYS  20          1HE       LYS  20  -1.095   4.961   4.961
  180   2HE   LYS  20          2HE       LYS  20  -0.737   3.325   3.325
  181   1HZ   LYS  20          1HZ       LYS  20  -2.938   3.581   3.581
  182   2HZ   LYS  20          2HZ       LYS  20  -2.740   5.231   5.231
  183   3HZ   LYS  20          3HZ       LYS  20  -1.562   4.363   4.363
  184    H    CYS  21           H        CYS  21  -3.352   0.767   0.767
  185    HA   CYS  21           HA       CYS  21  -0.557  -0.198  -0.198
  186   1HB   CYS  21          1HB       CYS  21  -1.727   1.335   1.335
  187   2HB   CYS  21          2HB       CYS  21  -2.943   0.067   0.067
  188    H    SER  22           H        SER  22  -1.143  -1.669  -1.669
  189    HA   SER  22           HA       SER  22  -2.830  -3.901  -3.901
  190   1HB   SER  22          1HB       SER  22  -0.739  -5.370  -5.370
  191   2HB   SER  22          2HB       SER  22  -1.201  -4.087  -4.087
  192    HG   SER  22           HG       SER  22   0.729  -3.716  -3.716
  193    H    LYS  23           H        LYS  23  -0.307  -3.183  -3.183
  194    HA   LYS  23           HA       LYS  23  -0.582  -3.658  -3.658
  195   1HB   LYS  23          1HB       LYS  23  -2.685  -5.709  -5.709
  196   2HB   LYS  23          2HB       LYS  23  -2.228  -5.580  -5.580
  197   1HG   LYS  23          1HG       LYS  23  -2.799  -2.884  -2.884
  198   2HG   LYS  23          2HG       LYS  23  -3.906  -3.717  -3.717
  199   1HD   LYS  23          1HD       LYS  23  -4.610  -5.066  -5.066
  200   2HD   LYS  23          2HD       LYS  23  -3.738  -3.793  -3.793
  201   1HE   LYS  23          1HE       LYS  23  -5.796  -2.672  -2.672
  202   2HE   LYS  23          2HE       LYS  23  -5.182  -2.161  -2.161
  203   1HZ   LYS  23          1HZ       LYS  23  -6.402  -4.776  -4.776
  204   2HZ   LYS  23          2HZ       LYS  23  -7.458  -3.547  -3.547
  205   3HZ   LYS  23          3HZ       LYS  23  -6.630  -3.451  -3.451
  206    H    GLU  24           H        GLU  24   0.709  -5.523  -5.523
  207    HA   GLU  24           HA       GLU  24   1.731  -7.809  -7.809
  208   1HB   GLU  24          1HB       GLU  24   4.090  -7.044  -7.044
  209   2HB   GLU  24          2HB       GLU  24   2.781  -7.525  -7.525
  210   1HG   GLU  24          1HG       GLU  24   2.228  -5.045  -5.045
  211   2HG   GLU  24          2HG       GLU  24   3.575  -4.587  -4.587
  212    H    LYS  25           H        LYS  25   3.731  -8.243  -8.243
  213    HA   LYS  25           HA       LYS  25   4.198  -6.224  -6.224
  214   1HB   LYS  25          1HB       LYS  25   3.055  -9.077  -9.077
  215   2HB   LYS  25          2HB       LYS  25   3.863  -8.265  -8.265
  216   1HG   LYS  25          1HG       LYS  25   2.180  -6.319  -6.319
  217   2HG   LYS  25          2HG       LYS  25   1.368  -7.202  -7.202
  218   1HD   LYS  25          1HD       LYS  25   1.455  -7.694  -7.694
  219   2HD   LYS  25          2HD       LYS  25   0.061  -7.691  -7.691
  220   1HE   LYS  25          1HE       LYS  25   2.156  -9.816  -9.816
  221   2HE   LYS  25          2HE       LYS  25   1.260 -10.046 -10.046
  222   1HZ   LYS  25          1HZ       LYS  25  -0.176  -9.368  -9.368
  223   2HZ   LYS  25          2HZ       LYS  25   0.262 -10.955 -10.955
  224   3HZ   LYS  25          3HZ       LYS  25  -0.760 -10.114 -10.114
  225    HA   PRO  26           HA       PRO  26   5.189  -6.434  -6.434
  226   1HB   PRO  26          1HB       PRO  26   7.425  -4.939  -4.939
  227   2HB   PRO  26          2HB       PRO  26   7.227  -6.728  -6.728
  228   1HG   PRO  26          1HG       PRO  26   8.532  -5.800  -5.800
  229   2HG   PRO  26          2HG       PRO  26   9.282  -6.657  -6.657
  230   1HD   PRO  26          1HD       PRO  26   8.318  -7.885  -7.885
  231   2HD   PRO  26          2HD       PRO  26   7.839  -8.550  -8.550
  232    H    LYS  27           H        LYS  27   7.339  -5.079  -5.079
  233    HA   LYS  27           HA       LYS  27   5.570  -2.590  -2.590
  234   1HB   LYS  27          1HB       LYS  27   7.707  -2.083  -2.083
  235   2HB   LYS  27          2HB       LYS  27   7.585  -1.486  -1.486
  236   1HG   LYS  27          1HG       LYS  27   9.313  -2.860  -2.860
  237   2HG   LYS  27          2HG       LYS  27   8.586  -4.290  -4.290
  238   1HD   LYS  27          1HD       LYS  27   9.895  -2.316  -2.316
  239   2HD   LYS  27          2HD       LYS  27  10.981  -3.120  -3.120
  240   1HE   LYS  27          1HE       LYS  27   8.908  -4.861  -4.861
  241   2HE   LYS  27          2HE       LYS  27  10.315  -4.327  -4.327
  242   1HZ   LYS  27          1HZ       LYS  27  11.404  -5.090  -5.090
  243   2HZ   LYS  27          2HZ       LYS  27  10.183  -6.224  -6.224
  244   3HZ   LYS  27          3HZ       LYS  27  11.363  -6.005  -6.005
  245    H    CYS  28           H        CYS  28   4.364  -1.968  -1.968
  246    HA   CYS  28           HA       CYS  28   3.620  -3.772  -3.772
  247   1HB   CYS  28          1HB       CYS  28   2.920  -1.531  -1.531
  248   2HB   CYS  28          2HB       CYS  28   2.100  -1.988  -1.988
  249    H    ALA  29           H        ALA  29   3.746  -2.823  -2.823
  250    HA   ALA  29           HA       ALA  29   6.526  -3.193  -3.193
  251   1HB   ALA  29          1HB       ALA  29   4.442  -3.632  -3.632
  252   2HB   ALA  29          2HB       ALA  29   4.045  -1.898  -1.898
  253   3HB   ALA  29          3HB       ALA  29   5.504  -2.469  -2.469
  254    H    LYS  30           H        LYS  30   4.439  -0.432  -0.432
  255    HA   LYS  30           HA       LYS  30   6.079   1.740   1.740
  256   1HB   LYS  30          1HB       LYS  30   3.726   1.367   1.367
  257   2HB   LYS  30          2HB       LYS  30   4.796   1.873   1.873
  258   1HG   LYS  30          1HG       LYS  30   3.257   3.610   3.610
  259   2HG   LYS  30          2HG       LYS  30   4.661   4.095   4.095
  260   1HD   LYS  30          1HD       LYS  30   4.512   5.092   5.092
  261   2HD   LYS  30          2HD       LYS  30   6.052   4.258   4.258
  262   1HE   LYS  30          1HE       LYS  30   5.331   3.600   3.600
  263   2HE   LYS  30          2HE       LYS  30   5.112   2.164   2.164
  264   1HZ   LYS  30          1HZ       LYS  30   2.743   3.086   3.086
  265   2HZ   LYS  30          2HZ       LYS  30   3.050   4.015   4.015
  266   3HZ   LYS  30          3HZ       LYS  30   3.122   2.337   2.337
  267    H    CYS  31           H        CYS  31   6.054   0.655   0.655
  268    HA   CYS  31           HA       CYS  31   8.322   2.361   2.361
  269   1HB   CYS  31          1HB       CYS  31   7.318  -0.159  -0.159
  270   2HB   CYS  31          2HB       CYS  31   8.402   1.053   1.053
  271    H    LEU  32           H        LEU  32   8.154  -0.974  -0.974
  272    HA   LEU  32           HA       LEU  32  11.017  -1.513  -1.513
  273   1HB   LEU  32          1HB       LEU  32   9.141  -3.265  -3.265
  274   2HB   LEU  32          2HB       LEU  32   9.220  -2.753  -2.753
  275    HG   LEU  32           HG       LEU  32  11.467  -4.138  -4.138
  276   1HD1  LEU  32          1HD1      LEU  32   9.489  -5.604  -5.604
  277   2HD1  LEU  32          2HD1      LEU  32   9.877  -5.187  -5.187
  278   3HD1  LEU  32          3HD1      LEU  32  11.059  -6.091  -6.091
  279   1HD2  LEU  32          1HD2      LEU  32  12.358  -2.456  -2.456
  280   2HD2  LEU  32          2HD2      LEU  32  12.779  -4.131  -4.131
  281   3HD2  LEU  32          3HD2      LEU  32  11.464  -3.289  -3.289
  282    H    LYS  33           H        LYS  33   9.282   0.070   0.070
  283    HA   LYS  33           HA       LYS  33  11.582  -0.067  -0.067
  284   1HB   LYS  33          1HB       LYS  33   8.893   1.481   1.481
  285   2HB   LYS  33          2HB       LYS  33  10.102   1.707   1.707
  286   1HG   LYS  33          1HG       LYS  33   9.319  -1.186  -1.186
  287   2HG   LYS  33          2HG       LYS  33   8.087  -0.181  -0.181
  288   1HD   LYS  33          1HD       LYS  33  10.220   0.366   0.366
  289   2HD   LYS  33          2HD       LYS  33  10.744  -1.216  -1.216
  290   1HE   LYS  33          1HE       LYS  33   8.100  -1.844  -1.844
  291   2HE   LYS  33          2HE       LYS  33   8.273  -0.551  -0.551
  292   1HZ   LYS  33          1HZ       LYS  33  10.327  -2.670  -2.670
  293   2HZ   LYS  33          2HZ       LYS  33   8.924  -2.899  -2.899
  294   3HZ   LYS  33          3HZ       LYS  33   9.988  -1.659  -1.659
  295    H    ASN  34           H        ASN  34  10.451   2.064   2.064
  296    HA   ASN  34           HA       ASN  34  12.650   4.041   4.041
  297   1HB   ASN  34          1HB       ASN  34   9.873   4.348   4.348
  298   2HB   ASN  34          2HB       ASN  34  11.092   5.520   5.520
  299   1HD2  ASN  34          1HD2      ASN  34   9.097   6.032   6.032
  300   2HD2  ASN  34          2HD2      ASN  34   8.602   4.840   4.840
  301    H    ASN  35           H        ASN  35  12.465   1.518   1.518
  302    HA   ASN  35           HA       ASN  35  13.081   0.965   0.965
  303   1HB   ASN  35          1HB       ASN  35  15.300   1.555   1.555
  304   2HB   ASN  35          2HB       ASN  35  15.040   3.262   3.262
  305   1HD2  ASN  35          1HD2      ASN  35  15.514   1.788   1.788
  306   2HD2  ASN  35          2HD2      ASN  35  14.015   1.340   1.340
  307    H    TRP  36           H        TRP  36  11.152   1.490   1.490
  308    HA   TRP  36           HA       TRP  36  11.237   4.053   4.053
  309   1HB   TRP  36          1HB       TRP  36   8.957   2.809   2.809
  310   2HB   TRP  36          2HB       TRP  36   8.576   3.915   3.915
  311    HD1  TRP  36           HD1      TRP  36  11.455   5.698   5.698
  312    HE1  TRP  36           HE1      TRP  36  11.132   7.528   7.528
  313    HE3  TRP  36           HE3      TRP  36   7.117   3.802   3.802
  314    HZ2  TRP  36           HZ2      TRP  36   9.133   7.893   7.893
  315    HZ3  TRP  36           HZ3      TRP  36   6.144   4.801   4.801
  316    HH2  TRP  36           HH2      TRP  36   7.137   6.800   6.800
  317    H    GLU  37           H        GLU  37   9.358   3.904   3.904
  318    HA   GLU  37           HA       GLU  37  10.035   1.291   1.291
  319   1HB   GLU  37          1HB       GLU  37  10.675   3.799   3.799
  320   2HB   GLU  37          2HB       GLU  37   9.024   3.861   3.861
  321   1HG   GLU  37          1HG       GLU  37  10.145   1.388   1.388
  322   2HG   GLU  37          2HG       GLU  37  11.382   2.601   2.601
  323    H    CYS  38           H        CYS  38   8.139   0.908   0.908
  324    HA   CYS  38           HA       CYS  38   5.475   1.476   1.476
  325   1HB   CYS  38          1HB       CYS  38   6.490  -0.195  -0.195
  326   2HB   CYS  38          2HB       CYS  38   6.459  -1.435  -1.435
  327    H    ARG  39           H        ARG  39   4.675   1.913   1.913
  328    HA   ARG  39           HA       ARG  39   4.330  -0.402  -0.402
  329   1HB   ARG  39          1HB       ARG  39   4.325   2.531   2.531
  330   2HB   ARG  39          2HB       ARG  39   2.756   1.945   1.945
  331   1HG   ARG  39          1HG       ARG  39   3.950   0.349   0.349
  332   2HG   ARG  39          2HG       ARG  39   5.499   0.982   0.982
  333   1HD   ARG  39          1HD       ARG  39   3.907   3.302   3.302
  334   2HD   ARG  39          2HD       ARG  39   3.608   2.098   2.098
  335    HE   ARG  39           HE       ARG  39   6.395   1.946   1.946
  336   1HH1  ARG  39          1HH1      ARG  39   4.245   4.520   4.520
  337   2HH1  ARG  39          2HH1      ARG  39   5.570   5.413   5.413
  338   1HH2  ARG  39          1HH2      ARG  39   7.776   2.968   2.968
  339   2HH2  ARG  39          2HH2      ARG  39   7.492   4.574   4.574
  340    H    TYR  40           H        TYR  40   2.025  -0.668  -0.668
  341    HA   TYR  40           HA       TYR  40   0.026  -0.060  -0.060
  342   1HB   TYR  40          1HB       TYR  40   0.642  -2.797  -2.797
  343   2HB   TYR  40          2HB       TYR  40  -0.988  -2.479  -2.479
  344    HD1  TYR  40           HD1      TYR  40  -0.683  -0.940  -0.940
  345    HD2  TYR  40           HD2      TYR  40   1.479  -4.366  -4.366
  346    HE1  TYR  40           HE1      TYR  40   0.118  -1.413  -1.413
  347    HE2  TYR  40           HE2      TYR  40   2.449  -4.684  -4.684
  348    HH   TYR  40           HH       TYR  40   1.534  -3.467  -3.467
  349    H    SER  41           H        SER  41   0.547  -0.729  -0.729
  350    HA   SER  41           HA       SER  41  -1.547   0.985   0.985
  351   1HB   SER  41          1HB       SER  41  -2.657  -1.539  -1.539
  352   2HB   SER  41          2HB       SER  41  -3.115  -1.360  -1.360
  353    HG   SER  41           HG       SER  41  -4.329  -0.289  -0.289
  354    HA   PRO  42           HA       PRO  42  -0.020  -0.418  -0.418
  355   1HB   PRO  42          1HB       PRO  42  -1.347   1.581   1.581
  356   2HB   PRO  42          2HB       PRO  42   0.225   1.848   1.848
  357   1HG   PRO  42          1HG       PRO  42  -2.625   2.748   2.748
  358   2HG   PRO  42          2HG       PRO  42  -0.944   3.203   3.203
  359   1HD   PRO  42          1HD       PRO  42  -3.176   1.210   1.210
  360   2HD   PRO  42          2HD       PRO  42  -1.947   1.985   1.985
  361    H    LYS  43           H        LYS  43  -3.141   1.039   1.039
  362    HA   LYS  43           HA       LYS  43  -4.472  -1.488  -1.488
  363   1HB   LYS  43          1HB       LYS  43  -4.276  -1.666  -1.666
  364   2HB   LYS  43          2HB       LYS  43  -2.628  -1.501  -1.501
  365   1HG   LYS  43          1HG       LYS  43  -2.372   0.694   0.694
  366   2HG   LYS  43          2HG       LYS  43  -4.085   1.078   1.078
  367   1HD   LYS  43          1HD       LYS  43  -2.879  -0.890  -0.890
  368   2HD   LYS  43          2HD       LYS  43  -3.160   0.833   0.833
  369   1HE   LYS  43          1HE       LYS  43  -5.663   0.277   0.277
  370   2HE   LYS  43          2HE       LYS  43  -5.252  -1.377  -1.377
  371   1HZ   LYS  43          1HZ       LYS  43  -4.647  -0.553  -0.553
  372   2HZ   LYS  43          2HZ       LYS  43  -5.066   1.014   1.014
  373   3HZ   LYS  43          3HZ       LYS  43  -6.244  -0.184  -0.184

  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -12.474   2.759   2.759
    2   2H    MET   1          2H        MET   1 -10.866   2.865   2.865
    3   3H    MET   1          3H        MET   1 -11.987   2.081   2.081
    4    HA   MET   1           HA       MET   1 -12.233   0.294   0.294
    5   1HB   MET   1          1HB       MET   1  -9.745   0.969   0.969
    6   2HB   MET   1          2HB       MET   1  -9.280   0.651   0.651
    7   1HG   MET   1          1HG       MET   1  -9.753  -1.658  -1.658
    8   2HG   MET   1          2HG       MET   1 -11.058  -1.433  -1.433
    9   1HE   MET   1          1HE       MET   1  -7.483  -1.391  -1.391
   10   2HE   MET   1          2HE       MET   1  -6.554  -1.797  -1.797
   11   3HE   MET   1          3HE       MET   1  -7.042  -0.102  -0.102
   12    H    LYS   2           H        LYS   2 -13.433   0.995   0.995
   13    HA   LYS   2           HA       LYS   2 -11.831   1.187   1.187
   14   1HB   LYS   2          1HB       LYS   2 -12.129   3.559   3.559
   15   2HB   LYS   2          2HB       LYS   2 -13.830   3.313   3.313
   16   1HG   LYS   2          1HG       LYS   2 -14.172   4.173   4.173
   17   2HG   LYS   2          2HG       LYS   2 -13.831   2.531   2.531
   18   1HD   LYS   2          1HD       LYS   2 -11.421   3.208   3.208
   19   2HD   LYS   2          2HD       LYS   2 -11.777   4.830   4.830
   20   1HE   LYS   2          1HE       LYS   2 -12.961   3.520   3.520
   21   2HE   LYS   2          2HE       LYS   2 -11.973   4.987   4.987
   22   1HZ   LYS   2          1HZ       LYS   2 -13.812   5.889   5.889
   23   2HZ   LYS   2          2HZ       LYS   2 -14.756   4.618   4.618
   24   3HZ   LYS   2          3HZ       LYS   2 -14.138   5.752   5.752
   25    H    LEU   3           H        LEU   3 -12.898   0.668   0.668
   26    HA   LEU   3           HA       LEU   3 -14.476  -0.587  -0.587
   27   1HB   LEU   3          1HB       LEU   3 -16.706  -0.249  -0.249
   28   2HB   LEU   3          2HB       LEU   3 -16.163   0.832   0.832
   29    HG   LEU   3           HG       LEU   3 -16.251  -1.458  -1.458
   30   1HD1  LEU   3          1HD1      LEU   3 -17.662  -2.132  -2.132
   31   2HD1  LEU   3          2HD1      LEU   3 -18.723  -2.319  -2.319
   32   3HD1  LEU   3          3HD1      LEU   3 -17.177  -3.200  -3.200
   33   1HD2  LEU   3          1HD2      LEU   3 -18.711   0.278   0.278
   34   2HD2  LEU   3          2HD2      LEU   3 -17.537   0.628   0.628
   35   3HD2  LEU   3          3HD2      LEU   3 -18.605  -0.797  -0.797
   36    H    LEU   4           H        LEU   4 -12.915  -1.545  -1.545
   37    HA   LEU   4           HA       LEU   4 -13.983  -3.790  -3.790
   38   1HB   LEU   4          1HB       LEU   4 -11.347  -4.682  -4.682
   39   2HB   LEU   4          2HB       LEU   4 -11.853  -4.222  -4.222
   40    HG   LEU   4           HG       LEU   4  -9.851  -3.000  -3.000
   41   1HD1  LEU   4          1HD1      LEU   4 -12.268  -1.827  -1.827
   42   2HD1  LEU   4          2HD1      LEU   4 -11.426  -0.574  -0.574
   43   3HD1  LEU   4          3HD1      LEU   4 -10.572  -1.447  -1.447
   44   1HD2  LEU   4          1HD2      LEU   4 -11.110  -2.705  -2.705
   45   2HD2  LEU   4          2HD2      LEU   4  -9.656  -1.842  -1.842
   46   3HD2  LEU   4          3HD2      LEU   4 -11.254  -1.066  -1.066
   47    H    SER   5           H        SER   5 -12.210  -4.180  -4.180
   48    HA   SER   5           HA       SER   5 -14.254  -6.276  -6.276
   49   1HB   SER   5          1HB       SER   5 -11.541  -6.937  -6.937
   50   2HB   SER   5          2HB       SER   5 -11.739  -7.533  -7.533
   51    HG   SER   5           HG       SER   5 -12.457  -9.056  -9.056
   52    H    SER   6           H        SER   6 -13.568  -7.296  -7.296
   53    HA   SER   6           HA       SER   6 -13.288  -5.102  -5.102
   54   1HB   SER   6          1HB       SER   6 -13.579  -6.745  -6.745
   55   2HB   SER   6          2HB       SER   6 -14.434  -7.470  -7.470
   56    HG   SER   6           HG       SER   6 -12.345  -8.586  -8.586
   57    H    ILE   7           H        ILE   7 -11.541  -6.517  -6.517
   58    HA   ILE   7           HA       ILE   7  -9.180  -5.550  -5.550
   59    HB   ILE   7           HB       ILE   7  -9.128  -7.748  -7.748
   60   1HG1  ILE   7          1HG1      ILE   7  -6.532  -6.591  -6.591
   61   2HG1  ILE   7          2HG1      ILE   7  -7.775  -7.285  -7.285
   62   1HG2  ILE   7          1HG2      ILE   7  -8.429  -6.249  -6.249
   63   2HG2  ILE   7          2HG2      ILE   7  -6.943  -5.844  -5.844
   64   3HG2  ILE   7          3HG2      ILE   7  -7.286  -7.511  -7.511
   65   1HD1  ILE   7          1HD1      ILE   7  -7.638  -9.492  -9.492
   66   2HD1  ILE   7          2HD1      ILE   7  -6.266  -8.857  -8.857
   67   3HD1  ILE   7          3HD1      ILE   7  -6.135  -9.055  -9.055
   68    H    GLU   8           H        GLU   8 -10.281  -3.544  -3.544
   69    HA   GLU   8           HA       GLU   8  -9.022  -1.929  -1.929
   70   1HB   GLU   8          1HB       GLU   8 -11.382  -1.705  -1.705
   71   2HB   GLU   8          2HB       GLU   8 -10.416  -0.262  -0.262
   72   1HG   GLU   8          1HG       GLU   8 -12.249  -1.000  -1.000
   73   2HG   GLU   8          2HG       GLU   8 -11.580   0.568   0.568
   74    H    GLN   9           H        GLN   9  -7.525  -3.219  -3.219
   75    HA   GLN   9           HA       GLN   9  -6.299  -1.114  -1.114
   76   1HB   GLN   9          1HB       GLN   9  -5.271  -3.047  -3.047
   77   2HB   GLN   9          2HB       GLN   9  -5.739  -3.876  -3.876
   78   1HG   GLN   9          1HG       GLN   9  -3.569  -3.795  -3.795
   79   2HG   GLN   9          2HG       GLN   9  -3.482  -2.062  -2.062
   80   1HE2  GLN   9          1HE2      GLN   9  -1.004  -4.159  -4.159
   81   2HE2  GLN   9          2HE2      GLN   9  -1.726  -4.551  -4.551
   82    H    ALA  10           H        ALA  10  -4.005  -0.409  -0.409
   83    HA   ALA  10           HA       ALA  10  -2.881  -0.259  -0.259
   84   1HB   ALA  10          1HB       ALA  10  -4.877   1.132   1.132
   85   2HB   ALA  10          2HB       ALA  10  -4.525   2.277   2.277
   86   3HB   ALA  10          3HB       ALA  10  -3.422   2.144   2.144
   87    H    CYS  11           H        CYS  11  -0.857   0.823   0.823
   88    HA   CYS  11           HA       CYS  11   0.201   1.006   1.006
   89   1HB   CYS  11          1HB       CYS  11   2.417   1.010   1.010
   90   2HB   CYS  11          2HB       CYS  11   1.380  -0.189  -0.189
   91    H    ASP  12           H        ASP  12   1.972   2.665   2.665
   92    HA   ASP  12           HA       ASP  12   0.508   5.208   5.208
   93   1HB   ASP  12          1HB       ASP  12   2.607   4.093   4.093
   94   2HB   ASP  12          2HB       ASP  12   3.541   5.122   5.122
   95    H    ILE  13           H        ILE  13   3.290   4.165   4.165
   96    HA   ILE  13           HA       ILE  13   3.832   6.752   6.752
   97    HB   ILE  13           HB       ILE  13   4.407   3.865   3.865
   98   1HG1  ILE  13          1HG1      ILE  13   6.036   4.730   4.730
   99   2HG1  ILE  13          2HG1      ILE  13   6.830   4.707   4.707
  100   1HG2  ILE  13          1HG2      ILE  13   3.928   5.042   5.042
  101   2HG2  ILE  13          2HG2      ILE  13   5.210   6.219   6.219
  102   3HG2  ILE  13          3HG2      ILE  13   5.581   4.498   4.498
  103   1HD1  ILE  13          1HD1      ILE  13   6.189   7.236   7.236
  104   2HD1  ILE  13          2HD1      ILE  13   5.843   7.191   7.191
  105   3HD1  ILE  13          3HD1      ILE  13   7.482   6.820   6.820
  106    H    CYS  14           H        CYS  14   1.406   4.449   4.449
  107    HA   CYS  14           HA       CYS  14   0.784   5.789   5.789
  108   1HB   CYS  14          1HB       CYS  14  -0.444   3.478   3.478
  109   2HB   CYS  14          2HB       CYS  14  -1.407   4.231   4.231
  110    H    ARG  15           H        ARG  15  -0.413   5.824   5.824
  111    HA   ARG  15           HA       ARG  15  -2.535   7.685   7.685
  112   1HB   ARG  15          1HB       ARG  15  -0.507   6.983   6.983
  113   2HB   ARG  15          2HB       ARG  15  -1.045   8.645   8.645
  114   1HG   ARG  15          1HG       ARG  15  -2.917   7.854   7.854
  115   2HG   ARG  15          2HG       ARG  15  -3.480   7.144   7.144
  116   1HD   ARG  15          1HD       ARG  15  -3.334   5.133   5.133
  117   2HD   ARG  15          2HD       ARG  15  -1.574   5.244   5.244
  118    HE   ARG  15           HE       ARG  15  -1.259   5.896   5.896
  119   1HH1  ARG  15          1HH1      ARG  15  -4.655   5.999   5.999
  120   2HH1  ARG  15          2HH1      ARG  15  -5.101   6.208   6.208
  121   1HH2  ARG  15          1HH2      ARG  15  -1.817   6.122   6.122
  122   2HH2  ARG  15          2HH2      ARG  15  -3.563   6.274   6.274
  123    H    LEU  16           H        LEU  16   0.892   8.527   8.527
  124    HA   LEU  16           HA       LEU  16   0.291  11.426  11.426
  125   1HB   LEU  16          1HB       LEU  16   2.936   9.841   9.841
  126   2HB   LEU  16          2HB       LEU  16   2.879  11.592  11.592
  127    HG   LEU  16           HG       LEU  16   2.255  11.685  11.685
  128   1HD1  LEU  16          1HD1      LEU  16   0.361   9.944   9.944
  129   2HD1  LEU  16          2HD1      LEU  16   1.567   8.667   8.667
  130   3HD1  LEU  16          3HD1      LEU  16   1.312   9.845   9.845
  131   1HD2  LEU  16          1HD2      LEU  16   4.619  10.832  10.832
  132   2HD2  LEU  16          2HD2      LEU  16   3.960  10.289  10.289
  133   3HD2  LEU  16          3HD2      LEU  16   4.035   9.168   9.168
  134    H    LYS  17           H        LYS  17   1.727   9.123   9.123
  135    HA   LYS  17           HA       LYS  17   2.192  11.273  11.273
  136   1HB   LYS  17          1HB       LYS  17   2.279   8.201   8.201
  137   2HB   LYS  17          2HB       LYS  17   3.011   9.401   9.401
  138   1HG   LYS  17          1HG       LYS  17   3.843   8.788   8.788
  139   2HG   LYS  17          2HG       LYS  17   4.731   8.331   8.331
  140   1HD   LYS  17          1HD       LYS  17   4.325  11.222  11.222
  141   2HD   LYS  17          2HD       LYS  17   4.833  10.772  10.772
  142   1HE   LYS  17          1HE       LYS  17   6.286   9.790   9.790
  143   2HE   LYS  17          2HE       LYS  17   6.819  11.191  11.191
  144   1HZ   LYS  17          1HZ       LYS  17   6.466   9.290   9.290
  145   2HZ   LYS  17          2HZ       LYS  17   7.064   8.396   8.396
  146   3HZ   LYS  17          3HZ       LYS  17   7.932   9.713   9.713
  147    H    LYS  18           H        LYS  18  -0.372   9.274   9.274
  148    HA   LYS  18           HA       LYS  18  -2.414   8.682   8.682
  149   1HB   LYS  18          1HB       LYS  18  -1.830  11.383  11.383
  150   2HB   LYS  18          2HB       LYS  18  -3.115  10.358  10.358
  151   1HG   LYS  18          1HG       LYS  18  -4.489  10.636  10.636
  152   2HG   LYS  18          2HG       LYS  18  -3.117  10.722  10.722
  153   1HD   LYS  18          1HD       LYS  18  -3.091  13.096  13.096
  154   2HD   LYS  18          2HD       LYS  18  -4.755  12.842  12.842
  155   1HE   LYS  18          1HE       LYS  18  -3.916  12.586  12.586
  156   2HE   LYS  18          2HE       LYS  18  -2.260  12.901  12.901
  157   1HZ   LYS  18          1HZ       LYS  18  -3.076  15.035  15.035
  158   2HZ   LYS  18          2HZ       LYS  18  -4.574  14.753  14.753
  159   3HZ   LYS  18          3HZ       LYS  18  -3.206  14.930  14.930
  160    H    LEU  19           H        LEU  19  -1.157   6.921   6.921
  161    HA   LEU  19           HA       LEU  19  -1.283   6.589   6.589
  162   1HB   LEU  19          1HB       LEU  19   0.559   4.848   4.848
  163   2HB   LEU  19          2HB       LEU  19   0.517   4.939   4.939
  164    HG   LEU  19           HG       LEU  19   2.380   6.178   6.178
  165   1HD1  LEU  19          1HD1      LEU  19   0.473   7.997   7.997
  166   2HD1  LEU  19          2HD1      LEU  19   0.913   8.525   8.525
  167   3HD1  LEU  19          3HD1      LEU  19   2.126   8.537   8.537
  168   1HD2  LEU  19          1HD2      LEU  19   2.752   5.483   5.483
  169   2HD2  LEU  19          2HD2      LEU  19   3.315   7.146   7.146
  170   3HD2  LEU  19          3HD2      LEU  19   1.788   6.881   6.881
  171    H    LYS  20           H        LYS  20  -1.380   4.222   4.222
  172    HA   LYS  20           HA       LYS  20  -3.583   2.993   2.993
  173   1HB   LYS  20          1HB       LYS  20  -2.236   2.016   2.016
  174   2HB   LYS  20          2HB       LYS  20  -3.603   1.220   1.220
  175   1HG   LYS  20          1HG       LYS  20  -3.949   4.198   4.198
  176   2HG   LYS  20          2HG       LYS  20  -3.835   3.140   3.140
  177   1HD   LYS  20          1HD       LYS  20  -5.701   1.810   1.810
  178   2HD   LYS  20          2HD       LYS  20  -6.013   3.516   3.516
  179   1HE   LYS  20          1HE       LYS  20  -5.942   3.935   3.935
  180   2HE   LYS  20          2HE       LYS  20  -6.087   2.179   2.179
  181   1HZ   LYS  20          1HZ       LYS  20  -8.002   2.560   2.560
  182   2HZ   LYS  20          2HZ       LYS  20  -8.026   4.089   4.089
  183   3HZ   LYS  20          3HZ       LYS  20  -8.259   2.724   2.724
  184    H    CYS  21           H        CYS  21  -3.526   0.782   0.782
  185    HA   CYS  21           HA       CYS  21  -0.689  -0.140  -0.140
  186   1HB   CYS  21          1HB       CYS  21  -1.772   1.419   1.419
  187   2HB   CYS  21          2HB       CYS  21  -2.891   0.092   0.092
  188    H    SER  22           H        SER  22  -1.375  -1.629  -1.629
  189    HA   SER  22           HA       SER  22  -3.059  -3.851  -3.851
  190   1HB   SER  22          1HB       SER  22  -0.988  -5.320  -5.320
  191   2HB   SER  22          2HB       SER  22  -1.545  -4.067  -4.067
  192    HG   SER  22           HG       SER  22   0.840  -4.343  -4.343
  193    H    LYS  23           H        LYS  23  -0.352  -3.167  -3.167
  194    HA   LYS  23           HA       LYS  23  -0.443  -3.619  -3.619
  195   1HB   LYS  23          1HB       LYS  23  -2.648  -5.678  -5.678
  196   2HB   LYS  23          2HB       LYS  23  -2.081  -5.426  -5.426
  197   1HG   LYS  23          1HG       LYS  23  -3.054  -3.211  -3.211
  198   2HG   LYS  23          2HG       LYS  23  -3.070  -3.000  -3.000
  199   1HD   LYS  23          1HD       LYS  23  -4.989  -4.570  -4.570
  200   2HD   LYS  23          2HD       LYS  23  -4.833  -5.023  -5.023
  201   1HE   LYS  23          1HE       LYS  23  -6.353  -3.319  -3.319
  202   2HE   LYS  23          2HE       LYS  23  -4.981  -2.218  -2.218
  203   1HZ   LYS  23          1HZ       LYS  23  -6.250  -3.111  -3.111
  204   2HZ   LYS  23          2HZ       LYS  23  -7.166  -2.099  -2.099
  205   3HZ   LYS  23          3HZ       LYS  23  -5.658  -1.597  -1.597
  206    H    GLU  24           H        GLU  24   0.622  -5.517  -5.517
  207    HA   GLU  24           HA       GLU  24   1.664  -7.828  -7.828
  208   1HB   GLU  24          1HB       GLU  24   3.967  -7.204  -7.204
  209   2HB   GLU  24          2HB       GLU  24   2.575  -7.591  -7.591
  210   1HG   GLU  24          1HG       GLU  24   2.215  -5.160  -5.160
  211   2HG   GLU  24          2HG       GLU  24   3.477  -4.680  -4.680
  212    H    LYS  25           H        LYS  25   3.725  -8.276  -8.276
  213    HA   LYS  25           HA       LYS  25   4.306  -6.216  -6.216
  214   1HB   LYS  25          1HB       LYS  25   3.188  -9.064  -9.064
  215   2HB   LYS  25          2HB       LYS  25   3.997  -8.165  -8.165
  216   1HG   LYS  25          1HG       LYS  25   2.241  -6.241  -6.241
  217   2HG   LYS  25          2HG       LYS  25   1.393  -7.380  -7.380
  218   1HD   LYS  25          1HD       LYS  25   2.080  -8.307  -8.307
  219   2HD   LYS  25          2HD       LYS  25   0.900  -6.988  -6.988
  220   1HE   LYS  25          1HE       LYS  25   0.351  -9.084  -9.084
  221   2HE   LYS  25          2HE       LYS  25   0.361  -9.794  -9.794
  222   1HZ   LYS  25          1HZ       LYS  25  -1.101  -7.284  -7.284
  223   2HZ   LYS  25          2HZ       LYS  25  -1.796  -8.811  -8.811
  224   3HZ   LYS  25          3HZ       LYS  25  -1.240  -8.251  -8.251
  225    HA   PRO  26           HA       PRO  26   5.321  -6.489  -6.489
  226   1HB   PRO  26          1HB       PRO  26   7.582  -5.024  -5.024
  227   2HB   PRO  26          2HB       PRO  26   7.382  -6.826  -6.826
  228   1HG   PRO  26          1HG       PRO  26   8.628  -5.843  -5.843
  229   2HG   PRO  26          2HG       PRO  26   9.414  -6.731  -6.731
  230   1HD   PRO  26          1HD       PRO  26   8.394  -7.915  -7.915
  231   2HD   PRO  26          2HD       PRO  26   7.944  -8.610  -8.610
  232    H    LYS  27           H        LYS  27   7.406  -5.107  -5.107
  233    HA   LYS  27           HA       LYS  27   5.636  -2.606  -2.606
  234   1HB   LYS  27          1HB       LYS  27   7.888  -2.432  -2.432
  235   2HB   LYS  27          2HB       LYS  27   7.524  -1.398  -1.398
  236   1HG   LYS  27          1HG       LYS  27   8.805  -4.168  -4.168
  237   2HG   LYS  27          2HG       LYS  27   9.804  -2.822  -2.822
  238   1HD   LYS  27          1HD       LYS  27   8.040  -2.164  -2.164
  239   2HD   LYS  27          2HD       LYS  27   9.127  -3.531  -3.531
  240   1HE   LYS  27          1HE       LYS  27   9.848  -0.731  -0.731
  241   2HE   LYS  27          2HE       LYS  27  10.947  -2.106  -2.106
  242   1HZ   LYS  27          1HZ       LYS  27  10.056  -1.005  -1.005
  243   2HZ   LYS  27          2HZ       LYS  27  11.548  -0.738  -0.738
  244   3HZ   LYS  27          3HZ       LYS  27  11.128  -2.284  -2.284
  245    H    CYS  28           H        CYS  28   4.374  -2.031  -2.031
  246    HA   CYS  28           HA       CYS  28   3.607  -3.845  -3.845
  247   1HB   CYS  28          1HB       CYS  28   2.933  -1.605  -1.605
  248   2HB   CYS  28          2HB       CYS  28   2.130  -2.000  -2.000
  249    H    ALA  29           H        ALA  29   3.754  -2.940  -2.940
  250    HA   ALA  29           HA       ALA  29   6.438  -3.469  -3.469
  251   1HB   ALA  29          1HB       ALA  29   4.306  -3.486  -3.486
  252   2HB   ALA  29          2HB       ALA  29   4.159  -1.722  -1.722
  253   3HB   ALA  29          3HB       ALA  29   5.518  -2.417  -2.417
  254    H    LYS  30           H        LYS  30   4.771  -0.459  -0.459
  255    HA   LYS  30           HA       LYS  30   6.946   1.144   1.144
  256   1HB   LYS  30          1HB       LYS  30   4.453   1.793   1.793
  257   2HB   LYS  30          2HB       LYS  30   4.748   2.165   2.165
  258   1HG   LYS  30          1HG       LYS  30   5.513   4.256   4.256
  259   2HG   LYS  30          2HG       LYS  30   6.896   3.459   3.459
  260   1HD   LYS  30          1HD       LYS  30   6.064   4.782   4.782
  261   2HD   LYS  30          2HD       LYS  30   5.251   3.247   3.247
  262   1HE   LYS  30          1HE       LYS  30   3.578   4.635   4.635
  263   2HE   LYS  30          2HE       LYS  30   3.997   5.822   5.822
  264   1HZ   LYS  30          1HZ       LYS  30   3.448   3.912   3.912
  265   2HZ   LYS  30          2HZ       LYS  30   2.623   3.235   3.235
  266   3HZ   LYS  30          3HZ       LYS  30   2.192   4.758   4.758
  267    H    CYS  31           H        CYS  31   6.152   0.607   0.607
  268    HA   CYS  31           HA       CYS  31   8.331   2.390   2.390
  269   1HB   CYS  31          1HB       CYS  31   7.247  -0.119  -0.119
  270   2HB   CYS  31          2HB       CYS  31   8.191   1.167   1.167
  271    H    LEU  32           H        LEU  32   8.162  -0.916  -0.916
  272    HA   LEU  32           HA       LEU  32  10.984  -1.527  -1.527
  273   1HB   LEU  32          1HB       LEU  32   9.165  -3.274  -3.274
  274   2HB   LEU  32          2HB       LEU  32   9.192  -2.722  -2.722
  275    HG   LEU  32           HG       LEU  32  10.386  -4.877  -4.877
  276   1HD1  LEU  32          1HD1      LEU  32  11.044  -3.355  -3.355
  277   2HD1  LEU  32          2HD1      LEU  32  12.265  -2.569  -2.569
  278   3HD1  LEU  32          3HD1      LEU  32  12.439  -4.283  -4.283
  279   1HD2  LEU  32          1HD2      LEU  32  12.383  -3.262  -3.262
  280   2HD2  LEU  32          2HD2      LEU  32  11.348  -4.609  -4.609
  281   3HD2  LEU  32          3HD2      LEU  32  12.662  -4.918  -4.918
  282    H    LYS  33           H        LYS  33   9.440   0.109   0.109
  283    HA   LYS  33           HA       LYS  33  11.860  -0.076  -0.076
  284   1HB   LYS  33          1HB       LYS  33   9.245   1.589   1.589
  285   2HB   LYS  33          2HB       LYS  33  10.527   1.757   1.757
  286   1HG   LYS  33          1HG       LYS  33   8.918  -0.828  -0.828
  287   2HG   LYS  33          2HG       LYS  33   8.769   0.175   0.175
  288   1HD   LYS  33          1HD       LYS  33  11.384  -1.269  -1.269
  289   2HD   LYS  33          2HD       LYS  33  10.087  -2.083  -2.083
  290   1HE   LYS  33          1HE       LYS  33  10.888  -1.153  -1.153
  291   2HE   LYS  33          2HE       LYS  33  10.400   0.443   0.443
  292   1HZ   LYS  33          1HZ       LYS  33  12.620   0.211   0.211
  293   2HZ   LYS  33          2HZ       LYS  33  13.032  -0.837  -0.837
  294   3HZ   LYS  33          3HZ       LYS  33  12.616   0.757   0.757
  295    H    ASN  34           H        ASN  34  10.656   2.041   2.041
  296    HA   ASN  34           HA       ASN  34  12.953   3.977   3.977
  297   1HB   ASN  34          1HB       ASN  34  10.080   4.372   4.372
  298   2HB   ASN  34          2HB       ASN  34  11.278   5.441   5.441
  299   1HD2  ASN  34          1HD2      ASN  34   9.789   6.354   6.354
  300   2HD2  ASN  34          2HD2      ASN  34   9.006   5.230   5.230
  301    H    ASN  35           H        ASN  35  12.648   1.401   1.401
  302    HA   ASN  35           HA       ASN  35  12.949   0.701   0.701
  303   1HB   ASN  35          1HB       ASN  35  15.262   1.657   1.657
  304   2HB   ASN  35          2HB       ASN  35  15.150   2.834   2.834
  305   1HD2  ASN  35          1HD2      ASN  35  15.393  -0.594  -0.594
  306   2HD2  ASN  35          2HD2      ASN  35  13.818   0.238   0.238
  307    H    TRP  36           H        TRP  36  11.058   1.358   1.358
  308    HA   TRP  36           HA       TRP  36  11.242   3.948   3.948
  309   1HB   TRP  36          1HB       TRP  36   8.993   2.820   2.820
  310   2HB   TRP  36          2HB       TRP  36   8.557   3.892   3.892
  311    HD1  TRP  36           HD1      TRP  36  11.588   5.569   5.569
  312    HE1  TRP  36           HE1      TRP  36  11.381   7.529   7.529
  313    HE3  TRP  36           HE3      TRP  36   7.251   3.941   3.941
  314    HZ2  TRP  36           HZ2      TRP  36   9.386   8.164   8.164
  315    HZ3  TRP  36           HZ3      TRP  36   6.221   5.261   5.261
  316    HH2  TRP  36           HH2      TRP  36   7.316   7.289   7.289
  317    H    GLU  37           H        GLU  37   9.324   4.001   4.001
  318    HA   GLU  37           HA       GLU  37   9.592   1.375   1.375
  319   1HB   GLU  37          1HB       GLU  37  10.546   3.503   3.503
  320   2HB   GLU  37          2HB       GLU  37   8.975   4.268   4.268
  321   1HG   GLU  37          1HG       GLU  37   9.338   3.623   3.623
  322   2HG   GLU  37          2HG       GLU  37   8.085   2.570   2.570
  323    H    CYS  38           H        CYS  38   7.871   1.059   1.059
  324    HA   CYS  38           HA       CYS  38   5.142   1.571   1.571
  325   1HB   CYS  38          1HB       CYS  38   6.265  -0.092  -0.092
  326   2HB   CYS  38          2HB       CYS  38   6.306  -1.292  -1.292
  327    H    ARG  39           H        ARG  39   4.508   2.129   2.129
  328    HA   ARG  39           HA       ARG  39   4.295  -0.164  -0.164
  329   1HB   ARG  39          1HB       ARG  39   5.328   2.504   2.504
  330   2HB   ARG  39          2HB       ARG  39   3.742   2.608   2.608
  331   1HG   ARG  39          1HG       ARG  39   4.870   0.189   0.189
  332   2HG   ARG  39          2HG       ARG  39   6.239   1.290   1.290
  333   1HD   ARG  39          1HD       ARG  39   3.793   2.648   2.648
  334   2HD   ARG  39          2HD       ARG  39   4.273   1.238   1.238
  335    HE   ARG  39           HE       ARG  39   6.213   2.392   2.392
  336   1HH1  ARG  39          1HH1      ARG  39   5.040   3.958   3.958
  337   2HH1  ARG  39          2HH1      ARG  39   6.280   5.318   5.318
  338   1HH2  ARG  39          1HH2      ARG  39   7.526   3.892   3.892
  339   2HH2  ARG  39          2HH2      ARG  39   7.636   5.286   5.286
  340    H    TYR  40           H        TYR  40   2.494  -1.144  -1.144
  341    HA   TYR  40           HA       TYR  40  -0.032   0.560   0.560
  342   1HB   TYR  40          1HB       TYR  40  -0.397  -2.428  -2.428
  343   2HB   TYR  40          2HB       TYR  40  -1.123  -1.238  -1.238
  344    HD1  TYR  40           HD1      TYR  40   2.029  -3.238  -3.238
  345    HD2  TYR  40           HD2      TYR  40  -0.549  -1.068  -1.068
  346    HE1  TYR  40           HE1      TYR  40   3.119  -4.299  -4.299
  347    HE2  TYR  40           HE2      TYR  40   0.567  -2.133  -2.133
  348    HH   TYR  40           HH       TYR  40   2.566  -2.962  -2.962
  349    H    SER  41           H        SER  41   1.862  -0.972  -0.972
  350    HA   SER  41           HA       SER  41   0.054  -2.542  -2.542
  351   1HB   SER  41          1HB       SER  41   1.520  -1.343  -1.343
  352   2HB   SER  41          2HB       SER  41   2.074  -2.721  -2.721
  353    HG   SER  41           HG       SER  41   2.677   0.039   0.039
  354    HA   PRO  42           HA       PRO  42  -1.187   1.561   1.561
  355   1HB   PRO  42          1HB       PRO  42  -1.625   3.669   3.669
  356   2HB   PRO  42          2HB       PRO  42  -0.098   3.444   3.444
  357   1HG   PRO  42          1HG       PRO  42  -0.523   2.442   2.442
  358   2HG   PRO  42          2HG       PRO  42   0.805   3.532   3.532
  359   1HD   PRO  42          1HD       PRO  42   0.967   0.839   0.839
  360   2HD   PRO  42          2HD       PRO  42   1.534   1.501   1.501
  361    H    LYS  43           H        LYS  43  -2.493   2.745   2.745
  362    HA   LYS  43           HA       LYS  43  -5.131   1.440   1.440
  363   1HB   LYS  43          1HB       LYS  43  -4.554   4.431   4.431
  364   2HB   LYS  43          2HB       LYS  43  -6.171   3.929   3.929
  365   1HG   LYS  43          1HG       LYS  43  -6.619   2.908   2.908
  366   2HG   LYS  43          2HG       LYS  43  -4.959   2.357   2.357
  367   1HD   LYS  43          1HD       LYS  43  -4.375   4.847   4.847
  368   2HD   LYS  43          2HD       LYS  43  -6.118   5.179   5.179
  369   1HE   LYS  43          1HE       LYS  43  -4.787   3.054   3.054
  370   2HE   LYS  43          2HE       LYS  43  -5.300   4.659   4.659
  371   1HZ   LYS  43          1HZ       LYS  43  -7.524   3.816   3.816
  372   2HZ   LYS  43          2HZ       LYS  43  -6.917   2.348   2.348
  373   3HZ   LYS  43          3HZ       LYS  43  -7.207   3.601   3.601

  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -15.302  -2.453  -2.453
    2   2H    MET   1          2H        MET   1 -15.301  -3.919  -3.919
    3   3H    MET   1          3H        MET   1 -14.711  -3.838  -3.838
    4    HA   MET   1           HA       MET   1 -16.868  -3.270  -3.270
    5   1HB   MET   1          1HB       MET   1 -16.606  -5.819  -5.819
    6   2HB   MET   1          2HB       MET   1 -18.008  -5.534  -5.534
    7   1HG   MET   1          1HG       MET   1 -16.850  -5.943  -5.943
    8   2HG   MET   1          2HG       MET   1 -15.319  -5.304  -5.304
    9   1HE   MET   1          1HE       MET   1 -14.982  -7.490  -7.490
   10   2HE   MET   1          2HE       MET   1 -13.600  -7.243  -7.243
   11   3HE   MET   1          3HE       MET   1 -14.246  -8.891  -8.891
   12    H    LYS   2           H        LYS   2 -17.133  -1.341  -1.341
   13    HA   LYS   2           HA       LYS   2 -19.571  -0.906  -0.906
   14   1HB   LYS   2          1HB       LYS   2 -18.082  -2.764  -2.764
   15   2HB   LYS   2          2HB       LYS   2 -18.535  -1.285  -1.285
   16   1HG   LYS   2          1HG       LYS   2 -20.965  -1.629  -1.629
   17   2HG   LYS   2          2HG       LYS   2 -20.502  -3.084  -3.084
   18   1HD   LYS   2          1HD       LYS   2 -20.948  -4.231  -4.231
   19   2HD   LYS   2          2HD       LYS   2 -19.524  -3.475  -3.475
   20   1HE   LYS   2          1HE       LYS   2 -21.185  -1.344  -1.344
   21   2HE   LYS   2          2HE       LYS   2 -22.461  -2.564  -2.564
   22   1HZ   LYS   2          1HZ       LYS   2 -20.176  -3.116  -3.116
   23   2HZ   LYS   2          2HZ       LYS   2 -21.377  -2.056  -2.056
   24   3HZ   LYS   2          3HZ       LYS   2 -21.770  -3.641  -3.641
   25    H    LEU   3           H        LEU   3 -16.143  -0.762  -0.762
   26    HA   LEU   3           HA       LEU   3 -16.347   2.196   2.196
   27   1HB   LEU   3          1HB       LEU   3 -13.674   0.872   0.872
   28   2HB   LEU   3          2HB       LEU   3 -14.097   2.060   2.060
   29    HG   LEU   3           HG       LEU   3 -15.057  -0.842  -0.842
   30   1HD1  LEU   3          1HD1      LEU   3 -12.428  -0.492  -0.492
   31   2HD1  LEU   3          2HD1      LEU   3 -12.477   0.126   0.126
   32   3HD1  LEU   3          3HD1      LEU   3 -13.006  -1.540  -1.540
   33   1HD2  LEU   3          1HD2      LEU   3 -15.974   1.083   1.083
   34   2HD2  LEU   3          2HD2      LEU   3 -15.337  -0.383  -0.383
   35   3HD2  LEU   3          3HD2      LEU   3 -14.348   1.081   1.081
   36    H    LEU   4           H        LEU   4 -13.839   2.825   2.825
   37    HA   LEU   4           HA       LEU   4 -14.924   3.008   3.008
   38   1HB   LEU   4          1HB       LEU   4 -13.707   4.943   4.943
   39   2HB   LEU   4          2HB       LEU   4 -12.287   4.305   4.305
   40    HG   LEU   4           HG       LEU   4 -13.200   6.338   6.338
   41   1HD1  LEU   4          1HD1      LEU   4 -11.931   4.495   4.495
   42   2HD1  LEU   4          2HD1      LEU   4 -13.502   3.890   3.890
   43   3HD1  LEU   4          3HD1      LEU   4 -12.958   5.531   5.531
   44   1HD2  LEU   4          1HD2      LEU   4 -15.745   5.541   5.541
   45   2HD2  LEU   4          2HD2      LEU   4 -15.364   6.513   6.513
   46   3HD2  LEU   4          3HD2      LEU   4 -15.568   4.748   4.748
   47    H    SER   5           H        SER   5 -14.513   1.580   1.580
   48    HA   SER   5           HA       SER   5 -11.665   0.497   0.497
   49   1HB   SER   5          1HB       SER   5 -13.076  -1.223  -1.223
   50   2HB   SER   5          2HB       SER   5 -14.190  -1.295  -1.295
   51    HG   SER   5           HG       SER   5 -12.607  -2.212  -2.212
   52    H    SER   6           H        SER   6 -14.712  -0.083  -0.083
   53    HA   SER   6           HA       SER   6 -15.229   0.301   0.301
   54   1HB   SER   6          1HB       SER   6 -13.173   2.391   2.391
   55   2HB   SER   6          2HB       SER   6 -13.201   1.960   1.960
   56    HG   SER   6           HG       SER   6 -15.642   2.441   2.441
   57    H    ILE   7           H        ILE   7 -13.399   0.735   0.735
   58    HA   ILE   7           HA       ILE   7 -11.756  -1.839  -1.839
   59    HB   ILE   7           HB       ILE   7 -13.798  -1.088  -1.088
   60   1HG1  ILE   7          1HG1      ILE   7 -13.733  -3.234  -3.234
   61   2HG1  ILE   7          2HG1      ILE   7 -14.433  -3.315  -3.315
   62   1HG2  ILE   7          1HG2      ILE   7 -11.024  -2.068  -2.068
   63   2HG2  ILE   7          2HG2      ILE   7 -12.423  -2.671  -2.671
   64   3HG2  ILE   7          3HG2      ILE   7 -12.122  -0.917  -0.917
   65   1HD1  ILE   7          1HD1      ILE   7 -11.500  -4.055  -4.055
   66   2HD1  ILE   7          2HD1      ILE   7 -12.676  -5.212  -5.212
   67   3HD1  ILE   7          3HD1      ILE   7 -12.814  -4.694  -4.694
   68    H    GLU   8           H        GLU   8 -10.065  -0.459  -0.459
   69    HA   GLU   8           HA       GLU   8  -8.312  -0.006  -0.006
   70   1HB   GLU   8          1HB       GLU   8 -10.078   2.210   2.210
   71   2HB   GLU   8          2HB       GLU   8  -8.444   2.683   2.683
   72   1HG   GLU   8          1HG       GLU   8  -8.588   1.567   1.567
   73   2HG   GLU   8          2HG       GLU   8  -9.739   2.862   2.862
   74    H    GLN   9           H        GLN   9  -7.986  -1.485  -1.485
   75    HA   GLN   9           HA       GLN   9  -6.144  -0.152  -0.152
   76   1HB   GLN   9          1HB       GLN   9  -6.295  -2.262  -2.262
   77   2HB   GLN   9          2HB       GLN   9  -6.916  -2.904  -2.904
   78   1HG   GLN   9          1HG       GLN   9  -4.534  -3.247  -3.247
   79   2HG   GLN   9          2HG       GLN   9  -3.890  -2.529  -2.529
   80   1HE2  GLN   9          1HE2      GLN   9  -4.300  -5.660  -5.660
   81   2HE2  GLN   9          2HE2      GLN   9  -4.180  -3.827  -3.827
   82    H    ALA  10           H        ALA  10  -4.259   0.679   0.679
   83    HA   ALA  10           HA       ALA  10  -2.553  -0.074  -0.074
   84   1HB   ALA  10          1HB       ALA  10  -4.203   1.496   1.496
   85   2HB   ALA  10          2HB       ALA  10  -3.857   2.743   2.743
   86   3HB   ALA  10          3HB       ALA  10  -2.605   2.266   2.266
   87    H    CYS  11           H        CYS  11  -0.511   0.990   0.990
   88    HA   CYS  11           HA       CYS  11   0.399   0.977   0.977
   89   1HB   CYS  11          1HB       CYS  11   2.690   0.999   0.999
   90   2HB   CYS  11          2HB       CYS  11   1.641  -0.194  -0.194
   91    H    ASP  12           H        ASP  12   2.247   2.577   2.577
   92    HA   ASP  12           HA       ASP  12   0.890   5.118   5.118
   93   1HB   ASP  12          1HB       ASP  12   2.687   4.426   4.426
   94   2HB   ASP  12          2HB       ASP  12   3.859   4.309   4.309
   95    H    ILE  13           H        ILE  13   3.074   3.982   3.982
   96    HA   ILE  13           HA       ILE  13   3.608   6.725   6.725
   97    HB   ILE  13           HB       ILE  13   4.198   3.845   3.845
   98   1HG1  ILE  13          1HG1      ILE  13   5.854   4.544   4.544
   99   2HG1  ILE  13          2HG1      ILE  13   6.634   4.614   4.614
  100   1HG2  ILE  13          1HG2      ILE  13   3.689   5.259   5.259
  101   2HG2  ILE  13          2HG2      ILE  13   5.032   6.301   6.301
  102   3HG2  ILE  13          3HG2      ILE  13   5.331   4.581   4.581
  103   1HD1  ILE  13          1HD1      ILE  13   5.415   7.232   7.232
  104   2HD1  ILE  13          2HD1      ILE  13   6.898   6.686   6.686
  105   3HD1  ILE  13          3HD1      ILE  13   6.890   6.904   6.904
  106    H    CYS  14           H        CYS  14   1.251   4.308   4.308
  107    HA   CYS  14           HA       CYS  14   0.475   5.673   5.673
  108   1HB   CYS  14          1HB       CYS  14  -0.576   3.225   3.225
  109   2HB   CYS  14          2HB       CYS  14  -1.598   3.981   3.981
  110    H    ARG  15           H        ARG  15  -0.770   5.481   5.481
  111    HA   ARG  15           HA       ARG  15  -2.854   7.391   7.391
  112   1HB   ARG  15          1HB       ARG  15  -2.831   7.158   7.158
  113   2HB   ARG  15          2HB       ARG  15  -1.389   6.176   6.176
  114   1HG   ARG  15          1HG       ARG  15  -0.007   8.440   8.440
  115   2HG   ARG  15          2HG       ARG  15  -1.529   9.217   9.217
  116   1HD   ARG  15          1HD       ARG  15  -0.537   6.717   6.717
  117   2HD   ARG  15          2HD       ARG  15   0.033   8.352   8.352
  118    HE   ARG  15           HE       ARG  15  -2.428   9.005   9.005
  119   1HH1  ARG  15          1HH1      ARG  15  -1.574   5.648   5.648
  120   2HH1  ARG  15          2HH1      ARG  15  -3.052   5.260   5.260
  121   1HH2  ARG  15          1HH2      ARG  15  -4.005   8.510   8.510
  122   2HH2  ARG  15          2HH2      ARG  15  -4.377   6.812   6.812
  123    H    LEU  16           H        LEU  16   0.585   8.125   8.125
  124    HA   LEU  16           HA       LEU  16   0.080  11.021  11.021
  125   1HB   LEU  16          1HB       LEU  16   2.639  11.180  11.180
  126   2HB   LEU  16          2HB       LEU  16   2.046  10.202  10.202
  127    HG   LEU  16           HG       LEU  16   2.434   8.190   8.190
  128   1HD1  LEU  16          1HD1      LEU  16   3.247   9.740   9.740
  129   2HD1  LEU  16          2HD1      LEU  16   4.529  10.361  10.361
  130   3HD1  LEU  16          3HD1      LEU  16   4.562   8.669   8.669
  131   1HD2  LEU  16          1HD2      LEU  16   4.593   9.506   9.506
  132   2HD2  LEU  16          2HD2      LEU  16   3.452   8.218   8.218
  133   3HD2  LEU  16          3HD2      LEU  16   4.735   7.872   7.872
  134    H    LYS  17           H        LYS  17   1.425   8.948   8.948
  135    HA   LYS  17           HA       LYS  17   1.790  11.288  11.288
  136   1HB   LYS  17          1HB       LYS  17   2.179   8.233   8.233
  137   2HB   LYS  17          2HB       LYS  17   2.325   9.275   9.275
  138   1HG   LYS  17          1HG       LYS  17   3.938  10.025  10.025
  139   2HG   LYS  17          2HG       LYS  17   4.462   8.622   8.622
  140   1HD   LYS  17          1HD       LYS  17   3.949  10.862  10.862
  141   2HD   LYS  17          2HD       LYS  17   4.911  11.456  11.456
  142   1HE   LYS  17          1HE       LYS  17   5.663   8.794   8.794
  143   2HE   LYS  17          2HE       LYS  17   6.215  10.331  10.331
  144   1HZ   LYS  17          1HZ       LYS  17   6.988  10.865  10.865
  145   2HZ   LYS  17          2HZ       LYS  17   6.795   9.228   9.228
  146   3HZ   LYS  17          3HZ       LYS  17   7.866   9.724   9.724
  147    H    LYS  18           H        LYS  18  -0.687   9.110   9.110
  148    HA   LYS  18           HA       LYS  18  -2.712   8.520   8.520
  149   1HB   LYS  18          1HB       LYS  18  -2.312  11.284  11.284
  150   2HB   LYS  18          2HB       LYS  18  -3.725  10.263  10.263
  151   1HG   LYS  18          1HG       LYS  18  -3.961  10.246  10.246
  152   2HG   LYS  18          2HG       LYS  18  -2.741  11.517  11.517
  153   1HD   LYS  18          1HD       LYS  18  -4.700  12.475  12.475
  154   2HD   LYS  18          2HD       LYS  18  -5.664  11.584  11.584
  155   1HE   LYS  18          1HE       LYS  18  -5.059  12.987  12.987
  156   2HE   LYS  18          2HE       LYS  18  -3.443  13.323  13.323
  157   1HZ   LYS  18          1HZ       LYS  18  -4.651  14.567  14.567
  158   2HZ   LYS  18          2HZ       LYS  18  -6.015  14.502  14.502
  159   3HZ   LYS  18          3HZ       LYS  18  -4.625  15.275  15.275
  160    H    LEU  19           H        LEU  19  -1.506   6.858   6.858
  161    HA   LEU  19           HA       LEU  19  -0.916   6.878   6.878
  162   1HB   LEU  19          1HB       LEU  19   0.703   5.840   5.840
  163   2HB   LEU  19          2HB       LEU  19   0.729   4.853   4.853
  164    HG   LEU  19           HG       LEU  19   2.171   6.243   6.243
  165   1HD1  LEU  19          1HD1      LEU  19   0.338   8.271   8.271
  166   2HD1  LEU  19          2HD1      LEU  19   1.649   8.866   8.866
  167   3HD1  LEU  19          3HD1      LEU  19   1.964   8.547   8.547
  168   1HD2  LEU  19          1HD2      LEU  19   2.634   6.932   6.932
  169   2HD2  LEU  19          2HD2      LEU  19   3.519   5.776   5.776
  170   3HD2  LEU  19          3HD2      LEU  19   3.731   7.529   7.529
  171    H    LYS  20           H        LYS  20  -0.587   4.559   4.559
  172    HA   LYS  20           HA       LYS  20  -3.037   2.994   2.994
  173   1HB   LYS  20          1HB       LYS  20  -1.146   1.742   1.742
  174   2HB   LYS  20          2HB       LYS  20  -2.889   1.945   1.945
  175   1HG   LYS  20          1HG       LYS  20  -2.657   4.307   4.307
  176   2HG   LYS  20          2HG       LYS  20  -0.942   4.330   4.330
  177   1HD   LYS  20          1HD       LYS  20  -2.390   2.950   2.950
  178   2HD   LYS  20          2HD       LYS  20  -1.119   4.188   4.188
  179   1HE   LYS  20          1HE       LYS  20   0.596   2.635   2.635
  180   2HE   LYS  20          2HE       LYS  20  -0.191   1.779   1.779
  181   1HZ   LYS  20          1HZ       LYS  20  -1.291   1.545   1.545
  182   2HZ   LYS  20          2HZ       LYS  20   0.033   0.620   0.620
  183   3HZ   LYS  20          3HZ       LYS  20  -1.424   0.483   0.483
  184    H    CYS  21           H        CYS  21  -3.078   1.045   1.045
  185    HA   CYS  21           HA       CYS  21  -0.385   0.061   0.061
  186   1HB   CYS  21          1HB       CYS  21  -1.531   1.748   1.748
  187   2HB   CYS  21          2HB       CYS  21  -2.861   0.598   0.598
  188    H    SER  22           H        SER  22  -0.888  -1.522  -1.522
  189    HA   SER  22           HA       SER  22  -2.648  -3.691  -3.691
  190   1HB   SER  22          1HB       SER  22  -0.454  -5.200  -5.200
  191   2HB   SER  22          2HB       SER  22  -0.972  -4.107  -4.107
  192    HG   SER  22           HG       SER  22   1.194  -3.913  -3.913
  193    H    LYS  23           H        LYS  23  -0.521  -2.733  -2.733
  194    HA   LYS  23           HA       LYS  23  -0.581  -3.401  -3.401
  195   1HB   LYS  23          1HB       LYS  23  -2.805  -5.320  -5.320
  196   2HB   LYS  23          2HB       LYS  23  -2.381  -5.158  -5.158
  197   1HG   LYS  23          1HG       LYS  23  -3.484  -3.099  -3.099
  198   2HG   LYS  23          2HG       LYS  23  -2.893  -2.510  -2.510
  199   1HD   LYS  23          1HD       LYS  23  -4.699  -3.893  -3.893
  200   2HD   LYS  23          2HD       LYS  23  -5.230  -4.487  -4.487
  201   1HE   LYS  23          1HE       LYS  23  -6.633  -2.628  -2.628
  202   2HE   LYS  23          2HE       LYS  23  -5.188  -1.732  -1.732
  203   1HZ   LYS  23          1HZ       LYS  23  -5.534  -2.212  -2.212
  204   2HZ   LYS  23          2HZ       LYS  23  -6.544  -1.086  -1.086
  205   3HZ   LYS  23          3HZ       LYS  23  -4.876  -0.891  -0.891
  206    H    GLU  24           H        GLU  24   0.499  -5.380  -5.380
  207    HA   GLU  24           HA       GLU  24   1.383  -7.721  -7.721
  208   1HB   GLU  24          1HB       GLU  24   3.733  -7.106  -7.106
  209   2HB   GLU  24          2HB       GLU  24   2.340  -7.604  -7.604
  210   1HG   GLU  24          1HG       GLU  24   1.974  -4.811  -4.811
  211   2HG   GLU  24          2HG       GLU  24   3.716  -4.913  -4.913
  212    H    LYS  25           H        LYS  25   3.361  -8.278  -8.278
  213    HA   LYS  25           HA       LYS  25   4.001  -6.235  -6.235
  214   1HB   LYS  25          1HB       LYS  25   2.756  -9.031  -9.031
  215   2HB   LYS  25          2HB       LYS  25   3.476  -8.074  -8.074
  216   1HG   LYS  25          1HG       LYS  25   1.777  -6.169  -6.169
  217   2HG   LYS  25          2HG       LYS  25   1.005  -7.329  -7.329
  218   1HD   LYS  25          1HD       LYS  25   0.287  -8.689  -8.689
  219   2HD   LYS  25          2HD       LYS  25   1.439  -7.915  -7.915
  220   1HE   LYS  25          1HE       LYS  25   0.244  -5.687  -5.687
  221   2HE   LYS  25          2HE       LYS  25  -0.923  -6.428  -6.428
  222   1HZ   LYS  25          1HZ       LYS  25  -0.467  -7.545  -7.545
  223   2HZ   LYS  25          2HZ       LYS  25  -1.555  -6.293  -6.293
  224   3HZ   LYS  25          3HZ       LYS  25  -1.776  -7.782  -7.782
  225    HA   PRO  26           HA       PRO  26   4.912  -6.518  -6.518
  226   1HB   PRO  26          1HB       PRO  26   7.234  -5.178  -5.178
  227   2HB   PRO  26          2HB       PRO  26   6.905  -6.949  -6.949
  228   1HG   PRO  26          1HG       PRO  26   8.306  -6.112  -6.112
  229   2HG   PRO  26          2HG       PRO  26   8.983  -7.006  -7.006
  230   1HD   PRO  26          1HD       PRO  26   7.977  -8.187  -8.187
  231   2HD   PRO  26          2HD       PRO  26   7.426  -8.809  -8.809
  232    H    LYS  27           H        LYS  27   7.181  -5.329  -5.329
  233    HA   LYS  27           HA       LYS  27   5.580  -2.725  -2.725
  234   1HB   LYS  27          1HB       LYS  27   7.804  -2.437  -2.437
  235   2HB   LYS  27          2HB       LYS  27   7.648  -1.738  -1.738
  236   1HG   LYS  27          1HG       LYS  27   8.746  -3.776  -3.776
  237   2HG   LYS  27          2HG       LYS  27   8.781  -4.575  -4.575
  238   1HD   LYS  27          1HD       LYS  27  10.834  -3.641  -3.641
  239   2HD   LYS  27          2HD       LYS  27  10.124  -2.016  -2.016
  240   1HE   LYS  27          1HE       LYS  27  11.673  -1.940  -1.940
  241   2HE   LYS  27          2HE       LYS  27  10.144  -2.296  -2.296
  242   1HZ   LYS  27          1HZ       LYS  27  11.855  -4.504  -4.504
  243   2HZ   LYS  27          2HZ       LYS  27  12.154  -3.759  -3.759
  244   3HZ   LYS  27          3HZ       LYS  27  10.682  -4.524  -4.524
  245    H    CYS  28           H        CYS  28   4.413  -2.111  -2.111
  246    HA   CYS  28           HA       CYS  28   3.689  -3.954  -3.954
  247   1HB   CYS  28          1HB       CYS  28   3.083  -1.697  -1.697
  248   2HB   CYS  28          2HB       CYS  28   2.181  -2.160  -2.160
  249    H    ALA  29           H        ALA  29   3.929  -3.093  -3.093
  250    HA   ALA  29           HA       ALA  29   6.748  -3.441  -3.441
  251   1HB   ALA  29          1HB       ALA  29   4.730  -3.920  -3.920
  252   2HB   ALA  29          2HB       ALA  29   4.319  -2.188  -2.188
  253   3HB   ALA  29          3HB       ALA  29   5.818  -2.760  -2.760
  254    H    LYS  30           H        LYS  30   4.600  -0.702  -0.702
  255    HA   LYS  30           HA       LYS  30   6.198   1.486   1.486
  256   1HB   LYS  30          1HB       LYS  30   3.851   1.122   1.122
  257   2HB   LYS  30          2HB       LYS  30   4.924   1.662   1.662
  258   1HG   LYS  30          1HG       LYS  30   3.486   3.305   3.305
  259   2HG   LYS  30          2HG       LYS  30   4.614   3.845   3.845
  260   1HD   LYS  30          1HD       LYS  30   6.362   4.125   4.125
  261   2HD   LYS  30          2HD       LYS  30   5.747   2.860   2.860
  262   1HE   LYS  30          1HE       LYS  30   4.796   4.555   4.555
  263   2HE   LYS  30          2HE       LYS  30   3.581   4.705   4.705
  264   1HZ   LYS  30          1HZ       LYS  30   5.238   6.190   6.190
  265   2HZ   LYS  30          2HZ       LYS  30   6.111   6.226   6.226
  266   3HZ   LYS  30          3HZ       LYS  30   4.534   6.809   6.809
  267    H    CYS  31           H        CYS  31   6.109   0.497   0.497
  268    HA   CYS  31           HA       CYS  31   8.302   2.293   2.293
  269   1HB   CYS  31          1HB       CYS  31   7.308  -0.194  -0.194
  270   2HB   CYS  31          2HB       CYS  31   8.334   1.073   1.073
  271    H    LEU  32           H        LEU  32   8.268  -1.082  -1.082
  272    HA   LEU  32           HA       LEU  32  11.106  -1.520  -1.520
  273   1HB   LEU  32          1HB       LEU  32   9.493  -3.432  -3.432
  274   2HB   LEU  32          2HB       LEU  32   9.262  -2.952  -2.952
  275    HG   LEU  32           HG       LEU  32  10.814  -5.017  -5.017
  276   1HD1  LEU  32          1HD1      LEU  32  10.300  -4.273  -4.273
  277   2HD1  LEU  32          2HD1      LEU  32  11.579  -3.036  -3.036
  278   3HD1  LEU  32          3HD1      LEU  32  11.997  -4.765  -4.765
  279   1HD2  LEU  32          1HD2      LEU  32  12.840  -2.671  -2.671
  280   2HD2  LEU  32          2HD2      LEU  32  12.460  -3.807  -3.807
  281   3HD2  LEU  32          3HD2      LEU  32  13.277  -4.396  -4.396
  282    H    LYS  33           H        LYS  33   9.500  -0.170  -0.170
  283    HA   LYS  33           HA       LYS  33  11.967  -0.341  -0.341
  284   1HB   LYS  33          1HB       LYS  33   9.214   1.036   1.036
  285   2HB   LYS  33          2HB       LYS  33  10.529   1.311   1.311
  286   1HG   LYS  33          1HG       LYS  33   9.152  -1.386  -1.386
  287   2HG   LYS  33          2HG       LYS  33   9.176  -0.525  -0.525
  288   1HD   LYS  33          1HD       LYS  33  11.830  -0.930  -0.930
  289   2HD   LYS  33          2HD       LYS  33  11.362  -2.155  -2.155
  290   1HE   LYS  33          1HE       LYS  33   9.580  -2.933  -2.933
  291   2HE   LYS  33          2HE       LYS  33  10.648  -2.074  -2.074
  292   1HZ   LYS  33          1HZ       LYS  33  11.864  -3.903  -3.903
  293   2HZ   LYS  33          2HZ       LYS  33  11.098  -4.541  -4.541
  294   3HZ   LYS  33          3HZ       LYS  33  12.386  -3.475  -3.475
  295    H    ASN  34           H        ASN  34  10.527   1.921   1.921
  296    HA   ASN  34           HA       ASN  34  12.663   3.977   3.977
  297   1HB   ASN  34          1HB       ASN  34   9.893   4.145   4.145
  298   2HB   ASN  34          2HB       ASN  34  11.037   5.444   5.444
  299   1HD2  ASN  34          1HD2      ASN  34   8.880   5.323   5.323
  300   2HD2  ASN  34          2HD2      ASN  34   8.842   3.899   3.899
  301    H    ASN  35           H        ASN  35  12.536   1.451   1.451
  302    HA   ASN  35           HA       ASN  35  13.110   0.969   0.969
  303   1HB   ASN  35          1HB       ASN  35  15.342   1.589   1.589
  304   2HB   ASN  35          2HB       ASN  35  15.070   3.284   3.284
  305   1HD2  ASN  35          1HD2      ASN  35  15.498   1.720   1.720
  306   2HD2  ASN  35          2HD2      ASN  35  13.989   1.348   1.348
  307    H    TRP  36           H        TRP  36  11.146   1.519   1.519
  308    HA   TRP  36           HA       TRP  36  11.156   4.156   4.156
  309   1HB   TRP  36          1HB       TRP  36   8.928   2.799   2.799
  310   2HB   TRP  36          2HB       TRP  36   8.500   3.946   3.946
  311    HD1  TRP  36           HD1      TRP  36  11.387   5.722   5.722
  312    HE1  TRP  36           HE1      TRP  36  11.033   7.542   7.542
  313    HE3  TRP  36           HE3      TRP  36   7.086   3.740   3.740
  314    HZ2  TRP  36           HZ2      TRP  36   9.002   7.913   7.913
  315    HZ3  TRP  36           HZ3      TRP  36   6.066   4.771   4.771
  316    HH2  TRP  36           HH2      TRP  36   6.969   6.854   6.854
  317    H    GLU  37           H        GLU  37   9.275   4.071   4.071
  318    HA   GLU  37           HA       GLU  37   9.780   1.465   1.465
  319   1HB   GLU  37          1HB       GLU  37  10.472   3.926   3.926
  320   2HB   GLU  37          2HB       GLU  37   8.782   4.116   4.116
  321   1HG   GLU  37          1HG       GLU  37  10.542   3.315   3.315
  322   2HG   GLU  37          2HG       GLU  37   8.907   2.705   2.705
  323    H    CYS  38           H        CYS  38   8.039   0.950   0.950
  324    HA   CYS  38           HA       CYS  38   5.291   1.396   1.396
  325   1HB   CYS  38          1HB       CYS  38   6.481  -0.301  -0.301
  326   2HB   CYS  38          2HB       CYS  38   6.449  -1.473  -1.473
  327    H    ARG  39           H        ARG  39   4.745   1.947   1.947
  328    HA   ARG  39           HA       ARG  39   4.449  -0.479  -0.479
  329   1HB   ARG  39          1HB       ARG  39   5.364   2.341   2.341
  330   2HB   ARG  39          2HB       ARG  39   4.140   1.798   1.798
  331   1HG   ARG  39          1HG       ARG  39   6.114  -0.375  -0.375
  332   2HG   ARG  39          2HG       ARG  39   7.005   1.133   1.133
  333   1HD   ARG  39          1HD       ARG  39   6.104   1.550   1.550
  334   2HD   ARG  39          2HD       ARG  39   4.653   0.556   0.556
  335    HE   ARG  39           HE       ARG  39   7.439  -0.453  -0.453
  336   1HH1  ARG  39          1HH1      ARG  39   4.125  -1.262  -1.262
  337   2HH1  ARG  39          2HH1      ARG  39   4.341  -2.985  -2.985
  338   1HH2  ARG  39          1HH2      ARG  39   7.596  -2.329  -2.329
  339   2HH2  ARG  39          2HH2      ARG  39   6.227  -3.572  -3.572
  340    H    TYR  40           H        TYR  40   2.597  -1.234  -1.234
  341    HA   TYR  40           HA       TYR  40   0.213   0.508   0.508
  342   1HB   TYR  40          1HB       TYR  40   0.193  -2.546  -2.546
  343   2HB   TYR  40          2HB       TYR  40  -1.080  -1.628  -1.628
  344    HD1  TYR  40           HD1      TYR  40  -1.008  -0.949  -0.949
  345    HD2  TYR  40           HD2      TYR  40   2.077  -3.386  -3.386
  346    HE1  TYR  40           HE1      TYR  40  -0.302  -1.667  -1.667
  347    HE2  TYR  40           HE2      TYR  40   2.566  -4.327  -4.327
  348    HH   TYR  40           HH       TYR  40   0.906  -3.902  -3.902
  349    H    SER  41           H        SER  41   1.693  -1.273  -1.273
  350    HA   SER  41           HA       SER  41   1.248  -1.194  -1.194
  351   1HB   SER  41          1HB       SER  41   0.467   1.467   1.467
  352   2HB   SER  41          2HB       SER  41   2.126   0.904   0.904
  353    HG   SER  41           HG       SER  41   0.548   1.777   1.777
  354    HA   PRO  42           HA       PRO  42  -3.175  -2.331  -2.331
  355   1HB   PRO  42          1HB       PRO  42  -1.717  -3.274  -3.274
  356   2HB   PRO  42          2HB       PRO  42  -3.119  -4.095  -4.095
  357   1HG   PRO  42          1HG       PRO  42  -0.436  -4.803  -4.803
  358   2HG   PRO  42          2HG       PRO  42  -1.724  -4.601  -4.601
  359   1HD   PRO  42          1HD       PRO  42   0.551  -2.877  -2.877
  360   2HD   PRO  42          2HD       PRO  42   0.152  -3.200  -3.200
  361    H    LYS  43           H        LYS  43  -1.124  -0.803  -0.803
  362    HA   LYS  43           HA       LYS  43  -3.409   1.108   1.108
  363   1HB   LYS  43          1HB       LYS  43  -3.805  -0.490  -0.490
  364   2HB   LYS  43          2HB       LYS  43  -2.091  -0.617  -0.617
  365   1HG   LYS  43          1HG       LYS  43  -2.049   1.456   1.456
  366   2HG   LYS  43          2HG       LYS  43  -3.323   2.171   2.171
  367   1HD   LYS  43          1HD       LYS  43  -4.292   1.869   1.869
  368   2HD   LYS  43          2HD       LYS  43  -4.932   0.490   0.490
  369   1HE   LYS  43          1HE       LYS  43  -2.865  -0.892  -0.892
  370   2HE   LYS  43          2HE       LYS  43  -2.520   0.436   0.436
  371   1HZ   LYS  43          1HZ       LYS  43  -5.247  -0.693  -0.693
  372   2HZ   LYS  43          2HZ       LYS  43  -4.041  -1.466  -1.466
  373   3HZ   LYS  43          3HZ       LYS  43  -4.482   0.112   0.112

  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   4.555 -10.686 -10.686
    2   2H    MET   1          2H        MET   1   5.332  -9.704  -9.704
    3   3H    MET   1          3H        MET   1   5.118  -9.168  -9.168
    4    HA   MET   1           HA       MET   1   2.996  -8.606  -8.606
    5   1HB   MET   1          1HB       MET   1   4.592  -7.581  -7.581
    6   2HB   MET   1          2HB       MET   1   3.720  -8.647  -8.647
    7   1HG   MET   1          1HG       MET   1   1.560  -7.378  -7.378
    8   2HG   MET   1          2HG       MET   1   2.798  -6.107  -6.107
    9   1HE   MET   1          1HE       MET   1   0.936  -5.084  -5.084
   10   2HE   MET   1          2HE       MET   1   1.270  -4.560  -4.560
   11   3HE   MET   1          3HE       MET   1   0.009  -5.791  -5.791
   12    H    LYS   2           H        LYS   2   1.088  -9.335  -9.335
   13    HA   LYS   2           HA       LYS   2   0.614 -11.908 -11.908
   14   1HB   LYS   2          1HB       LYS   2  -1.328 -12.125 -12.125
   15   2HB   LYS   2          2HB       LYS   2   0.318 -12.628 -12.628
   16   1HG   LYS   2          1HG       LYS   2   0.717 -10.244 -10.244
   17   2HG   LYS   2          2HG       LYS   2  -1.002  -9.934  -9.934
   18   1HD   LYS   2          1HD       LYS   2  -1.247 -12.205 -12.205
   19   2HD   LYS   2          2HD       LYS   2   0.432 -11.858 -11.858
   20   1HE   LYS   2          1HE       LYS   2  -1.426  -9.456  -9.456
   21   2HE   LYS   2          2HE       LYS   2  -1.779 -10.706 -10.706
   22   1HZ   LYS   2          1HZ       LYS   2   0.900  -9.491  -9.491
   23   2HZ   LYS   2          2HZ       LYS   2  -0.148  -9.138  -9.138
   24   3HZ   LYS   2          3HZ       LYS   2   0.538 -10.669 -10.669
   25    H    LEU   3           H        LEU   3  -1.971 -12.215 -12.215
   26    HA   LEU   3           HA       LEU   3  -4.124 -11.344 -11.344
   27   1HB   LEU   3          1HB       LEU   3  -2.820  -8.638  -8.638
   28   2HB   LEU   3          2HB       LEU   3  -4.522  -9.017  -9.017
   29    HG   LEU   3           HG       LEU   3  -3.471  -9.467  -9.467
   30   1HD1  LEU   3          1HD1      LEU   3  -2.857  -6.880  -6.880
   31   2HD1  LEU   3          2HD1      LEU   3  -3.591  -6.707  -6.707
   32   3HD1  LEU   3          3HD1      LEU   3  -2.064  -7.605  -7.605
   33   1HD2  LEU   3          1HD2      LEU   3  -5.813  -7.831  -7.831
   34   2HD2  LEU   3          2HD2      LEU   3  -5.899  -9.401  -9.401
   35   3HD2  LEU   3          3HD2      LEU   3  -5.485  -7.945  -7.945
   36    H    LEU   4           H        LEU   4  -1.795  -9.842  -9.842
   37    HA   LEU   4           HA       LEU   4  -1.618 -10.089 -10.089
   38   1HB   LEU   4          1HB       LEU   4  -0.988 -12.376 -12.376
   39   2HB   LEU   4          2HB       LEU   4  -2.587 -12.858 -12.858
   40    HG   LEU   4           HG       LEU   4  -2.228 -12.015 -12.015
   41   1HD1  LEU   4          1HD1      LEU   4  -0.297 -13.553 -13.553
   42   2HD1  LEU   4          2HD1      LEU   4  -1.410 -14.779 -14.779
   43   3HD1  LEU   4          3HD1      LEU   4  -1.483 -14.330 -14.330
   44   1HD2  LEU   4          1HD2      LEU   4  -4.517 -12.769 -12.769
   45   2HD2  LEU   4          2HD2      LEU   4  -4.119 -13.438 -13.438
   46   3HD2  LEU   4          3HD2      LEU   4  -3.852 -14.401 -14.401
   47    H    SER   5           H        SER   5  -4.255  -9.343  -9.343
   48    HA   SER   5           HA       SER   5  -6.484  -8.868  -8.868
   49   1HB   SER   5          1HB       SER   5  -4.397  -7.344  -7.344
   50   2HB   SER   5          2HB       SER   5  -6.097  -7.011  -7.011
   51    HG   SER   5           HG       SER   5  -5.653  -7.055  -7.055
   52    H    SER   6           H        SER   6  -5.050  -8.624  -8.624
   53    HA   SER   6           HA       SER   6  -5.801  -9.548  -9.548
   54   1HB   SER   6          1HB       SER   6  -7.310 -11.488 -11.488
   55   2HB   SER   6          2HB       SER   6  -7.601 -11.509 -11.509
   56    HG   SER   6           HG       SER   6  -5.052 -11.549 -11.549
   57    H    ILE   7           H        ILE   7  -6.502  -7.391  -7.391
   58    HA   ILE   7           HA       ILE   7  -9.268  -7.354  -7.354
   59    HB   ILE   7           HB       ILE   7 -10.579  -6.399  -6.399
   60   1HG1  ILE   7          1HG1      ILE   7  -9.222  -4.135  -4.135
   61   2HG1  ILE   7          2HG1      ILE   7 -10.332  -4.430  -4.430
   62   1HG2  ILE   7          1HG2      ILE   7  -8.288  -7.492  -7.492
   63   2HG2  ILE   7          2HG2      ILE   7  -9.633  -6.624  -6.624
   64   3HG2  ILE   7          3HG2      ILE   7  -9.918  -8.093  -8.093
   65   1HD1  ILE   7          1HD1      ILE   7  -8.370  -5.208  -5.208
   66   2HD1  ILE   7          2HD1      ILE   7  -7.277  -4.588  -4.588
   67   3HD1  ILE   7          3HD1      ILE   7  -8.389  -3.484  -3.484
   68    H    GLU   8           H        GLU   8  -9.233  -5.822  -5.822
   69    HA   GLU   8           HA       GLU   8  -6.914  -4.738  -4.738
   70   1HB   GLU   8          1HB       GLU   8  -8.665  -2.722  -2.722
   71   2HB   GLU   8          2HB       GLU   8  -8.538  -4.290  -4.290
   72   1HG   GLU   8          1HG       GLU   8 -10.468  -4.404  -4.404
   73   2HG   GLU   8          2HG       GLU   8 -10.885  -3.097  -3.097
   74    H    GLN   9           H        GLN   9  -5.600  -4.119  -4.119
   75    HA   GLN   9           HA       GLN   9  -5.969  -1.374  -1.374
   76   1HB   GLN   9          1HB       GLN   9  -3.342  -1.791  -1.791
   77   2HB   GLN   9          2HB       GLN   9  -4.586  -2.542  -2.542
   78   1HG   GLN   9          1HG       GLN   9  -3.927  -4.318  -4.318
   79   2HG   GLN   9          2HG       GLN   9  -2.463  -3.858  -3.858
   80   1HE2  GLN   9          1HE2      GLN   9  -4.747  -5.738  -5.738
   81   2HE2  GLN   9          2HE2      GLN   9  -5.106  -4.020  -4.020
   82    H    ALA  10           H        ALA  10  -3.685  -0.116  -0.116
   83    HA   ALA  10           HA       ALA  10  -2.590  -0.249  -0.249
   84   1HB   ALA  10          1HB       ALA  10  -4.716   0.961   0.961
   85   2HB   ALA  10          2HB       ALA  10  -4.362   2.206   2.206
   86   3HB   ALA  10          3HB       ALA  10  -3.346   2.063   2.063
   87    H    CYS  11           H        CYS  11  -0.527   0.749   0.749
   88    HA   CYS  11           HA       CYS  11   0.477   1.154   1.154
   89   1HB   CYS  11          1HB       CYS  11   2.714   1.164   1.164
   90   2HB   CYS  11          2HB       CYS  11   1.731  -0.132  -0.132
   91    H    ASP  12           H        ASP  12   2.169   2.851   2.851
   92    HA   ASP  12           HA       ASP  12   0.670   5.370   5.370
   93   1HB   ASP  12          1HB       ASP  12   2.231   4.865   4.865
   94   2HB   ASP  12          2HB       ASP  12   3.571   4.635   4.635
   95    H    ILE  13           H        ILE  13   2.999   4.061   4.061
   96    HA   ILE  13           HA       ILE  13   3.826   6.715   6.715
   97    HB   ILE  13           HB       ILE  13   4.341   3.806   3.806
   98   1HG1  ILE  13          1HG1      ILE  13   6.042   4.531   4.531
   99   2HG1  ILE  13          2HG1      ILE  13   6.801   4.750   4.750
  100   1HG2  ILE  13          1HG2      ILE  13   3.888   5.117   5.117
  101   2HG2  ILE  13          2HG2      ILE  13   5.389   6.006   6.006
  102   3HG2  ILE  13          3HG2      ILE  13   5.395   4.245   4.245
  103   1HD1  ILE  13          1HD1      ILE  13   6.246   7.197   7.197
  104   2HD1  ILE  13          2HD1      ILE  13   5.552   7.046   7.046
  105   3HD1  ILE  13          3HD1      ILE  13   7.291   6.758   6.758
  106    H    CYS  14           H        CYS  14   1.460   4.340   4.340
  107    HA   CYS  14           HA       CYS  14   0.674   5.860   5.860
  108   1HB   CYS  14          1HB       CYS  14  -0.672   3.459   3.459
  109   2HB   CYS  14          2HB       CYS  14  -1.251   4.195   4.195
  110    H    ARG  15           H        ARG  15  -0.365   5.613   5.613
  111    HA   ARG  15           HA       ARG  15  -2.593   7.362   7.362
  112   1HB   ARG  15          1HB       ARG  15  -2.153   6.685   6.685
  113   2HB   ARG  15          2HB       ARG  15  -0.417   6.649   6.649
  114   1HG   ARG  15          1HG       ARG  15  -0.436   9.270   9.270
  115   2HG   ARG  15          2HG       ARG  15  -2.146   9.150   9.150
  116   1HD   ARG  15          1HD       ARG  15  -0.542   7.235   7.235
  117   2HD   ARG  15          2HD       ARG  15   0.082   8.897   8.897
  118    HE   ARG  15           HE       ARG  15  -1.944   9.575   9.575
  119   1HH1  ARG  15          1HH1      ARG  15  -2.422   6.417   6.417
  120   2HH1  ARG  15          2HH1      ARG  15  -4.054   6.216   6.216
  121   1HH2  ARG  15          1HH2      ARG  15  -3.716   9.287   9.287
  122   2HH2  ARG  15          2HH2      ARG  15  -4.763   7.773   7.773
  123    H    LEU  16           H        LEU  16   0.796   8.378   8.378
  124    HA   LEU  16           HA       LEU  16  -0.002  11.242  11.242
  125   1HB   LEU  16          1HB       LEU  16   2.669   9.718   9.718
  126   2HB   LEU  16          2HB       LEU  16   2.660  11.456  11.456
  127    HG   LEU  16           HG       LEU  16   3.024  11.445  11.445
  128   1HD1  LEU  16          1HD1      LEU  16   0.677  12.474  12.474
  129   2HD1  LEU  16          2HD1      LEU  16  -0.022  10.930  10.930
  130   3HD1  LEU  16          3HD1      LEU  16   1.000  11.852  11.852
  131   1HD2  LEU  16          1HD2      LEU  16   3.150   8.904   8.904
  132   2HD2  LEU  16          2HD2      LEU  16   2.437   9.586   9.586
  133   3HD2  LEU  16          3HD2      LEU  16   1.395   8.837   8.837
  134    H    LYS  17           H        LYS  17   1.394   9.009   9.009
  135    HA   LYS  17           HA       LYS  17   2.058  11.203  11.203
  136   1HB   LYS  17          1HB       LYS  17   2.246   8.140   8.140
  137   2HB   LYS  17          2HB       LYS  17   2.304   8.947   8.947
  138   1HG   LYS  17          1HG       LYS  17   4.160  10.487  10.487
  139   2HG   LYS  17          2HG       LYS  17   4.342   8.919   8.919
  140   1HD   LYS  17          1HD       LYS  17   5.369   8.007   8.007
  141   2HD   LYS  17          2HD       LYS  17   4.322   8.880   8.880
  142   1HE   LYS  17          1HE       LYS  17   6.049  10.734  10.734
  143   2HE   LYS  17          2HE       LYS  17   7.003   9.618   9.618
  144   1HZ   LYS  17          1HZ       LYS  17   4.718  10.677  10.677
  145   2HZ   LYS  17          2HZ       LYS  17   5.802  11.863  11.863
  146   3HZ   LYS  17          3HZ       LYS  17   6.331  10.590  10.590
  147    H    LYS  18           H        LYS  18  -0.673   9.394   9.394
  148    HA   LYS  18           HA       LYS  18  -2.764   9.093   9.093
  149   1HB   LYS  18          1HB       LYS  18  -1.847  11.668  11.668
  150   2HB   LYS  18          2HB       LYS  18  -3.301  10.817  10.817
  151   1HG   LYS  18          1HG       LYS  18  -4.021  10.911  10.911
  152   2HG   LYS  18          2HG       LYS  18  -2.702  12.062  12.062
  153   1HD   LYS  18          1HD       LYS  18  -3.845  13.686  13.686
  154   2HD   LYS  18          2HD       LYS  18  -4.972  12.462  12.462
  155   1HE   LYS  18          1HE       LYS  18  -5.143  14.023  14.023
  156   2HE   LYS  18          2HE       LYS  18  -6.415  13.103  13.103
  157   1HZ   LYS  18          1HZ       LYS  18  -5.346  11.048  11.048
  158   2HZ   LYS  18          2HZ       LYS  18  -4.311  12.009  12.009
  159   3HZ   LYS  18          3HZ       LYS  18  -5.970  12.064  12.064
  160    H    LEU  19           H        LEU  19  -1.870   7.186   7.186
  161    HA   LEU  19           HA       LEU  19  -1.331   6.813   6.813
  162   1HB   LEU  19          1HB       LEU  19   0.133   5.627   5.627
  163   2HB   LEU  19          2HB       LEU  19   0.075   4.702   4.702
  164    HG   LEU  19           HG       LEU  19   1.801   5.833   5.833
  165   1HD1  LEU  19          1HD1      LEU  19   0.208   8.052   8.052
  166   2HD1  LEU  19          2HD1      LEU  19   1.424   8.586   8.586
  167   3HD1  LEU  19          3HD1      LEU  19   1.921   8.135   8.135
  168   1HD2  LEU  19          1HD2      LEU  19   2.102   6.767   6.767
  169   2HD2  LEU  19          2HD2      LEU  19   2.811   5.323   5.323
  170   3HD2  LEU  19          3HD2      LEU  19   3.394   6.927   6.927
  171    H    LYS  20           H        LYS  20  -1.278   4.264   4.264
  172    HA   LYS  20           HA       LYS  20  -3.890   3.218   3.218
  173   1HB   LYS  20          1HB       LYS  20  -1.831   2.061   2.061
  174   2HB   LYS  20          2HB       LYS  20  -3.182   1.106   1.106
  175   1HG   LYS  20          1HG       LYS  20  -3.170   3.440   3.440
  176   2HG   LYS  20          2HG       LYS  20  -4.143   1.971   1.971
  177   1HD   LYS  20          1HD       LYS  20  -4.588   4.299   4.299
  178   2HD   LYS  20          2HD       LYS  20  -5.327   4.255   4.255
  179   1HE   LYS  20          1HE       LYS  20  -5.615   1.720   1.720
  180   2HE   LYS  20          2HE       LYS  20  -6.559   3.119   3.119
  181   1HZ   LYS  20          1HZ       LYS  20  -6.622   2.724   2.724
  182   2HZ   LYS  20          2HZ       LYS  20  -7.277   1.449   1.449
  183   3HZ   LYS  20          3HZ       LYS  20  -7.875   3.007   3.007
  184    H    CYS  21           H        CYS  21  -3.150   0.495   0.495
  185    HA   CYS  21           HA       CYS  21  -0.645   0.021   0.021
  186   1HB   CYS  21          1HB       CYS  21  -2.038   1.449   1.449
  187   2HB   CYS  21          2HB       CYS  21  -3.022  -0.003  -0.003
  188    H    SER  22           H        SER  22  -0.942  -1.457  -1.457
  189    HA   SER  22           HA       SER  22  -2.561  -3.745  -3.745
  190   1HB   SER  22          1HB       SER  22  -0.395  -5.112  -5.112
  191   2HB   SER  22          2HB       SER  22  -0.700  -3.738  -3.738
  192    HG   SER  22           HG       SER  22   0.839  -2.555  -2.555
  193    H    LYS  23           H        LYS  23  -0.216  -3.110  -3.110
  194    HA   LYS  23           HA       LYS  23  -0.649  -3.662  -3.662
  195   1HB   LYS  23          1HB       LYS  23  -2.727  -5.637  -5.637
  196   2HB   LYS  23          2HB       LYS  23  -2.383  -5.535  -5.535
  197   1HG   LYS  23          1HG       LYS  23  -3.077  -3.082  -3.082
  198   2HG   LYS  23          2HG       LYS  23  -3.341  -3.147  -3.147
  199   1HD   LYS  23          1HD       LYS  23  -5.253  -4.720  -4.720
  200   2HD   LYS  23          2HD       LYS  23  -4.869  -4.850  -4.850
  201   1HE   LYS  23          1HE       LYS  23  -6.736  -3.123  -3.123
  202   2HE   LYS  23          2HE       LYS  23  -5.423  -2.496  -2.496
  203   1HZ   LYS  23          1HZ       LYS  23  -5.155  -2.327  -2.327
  204   2HZ   LYS  23          2HZ       LYS  23  -6.146  -1.231  -1.231
  205   3HZ   LYS  23          3HZ       LYS  23  -4.513  -1.334  -1.334
  206    H    GLU  24           H        GLU  24   0.686  -5.491  -5.491
  207    HA   GLU  24           HA       GLU  24   1.622  -7.826  -7.826
  208   1HB   GLU  24          1HB       GLU  24   4.024  -7.065  -7.065
  209   2HB   GLU  24          2HB       GLU  24   2.735  -7.512  -7.512
  210   1HG   GLU  24          1HG       GLU  24   2.206  -4.987  -4.987
  211   2HG   GLU  24          2HG       GLU  24   3.609  -4.614  -4.614
  212    H    LYS  25           H        LYS  25   3.564  -8.350  -8.350
  213    HA   LYS  25           HA       LYS  25   4.018  -6.430  -6.430
  214   1HB   LYS  25          1HB       LYS  25   2.860  -9.294  -9.294
  215   2HB   LYS  25          2HB       LYS  25   3.534  -8.437  -8.437
  216   1HG   LYS  25          1HG       LYS  25   1.780  -6.681  -6.681
  217   2HG   LYS  25          2HG       LYS  25   1.245  -7.247  -7.247
  218   1HD   LYS  25          1HD       LYS  25   0.071  -7.846  -7.846
  219   2HD   LYS  25          2HD       LYS  25  -0.138  -8.824  -8.824
  220   1HE   LYS  25          1HE       LYS  25   0.708 -10.566 -10.566
  221   2HE   LYS  25          2HE       LYS  25   2.284  -9.881  -9.881
  222   1HZ   LYS  25          1HZ       LYS  25   0.975  -8.556  -8.556
  223   2HZ   LYS  25          2HZ       LYS  25   1.390 -10.161 -10.161
  224   3HZ   LYS  25          3HZ       LYS  25   2.571  -9.056  -9.056
  225    HA   PRO  26           HA       PRO  26   4.997  -6.509  -6.509
  226   1HB   PRO  26          1HB       PRO  26   7.297  -5.116  -5.116
  227   2HB   PRO  26          2HB       PRO  26   6.989  -6.863  -6.863
  228   1HG   PRO  26          1HG       PRO  26   8.408  -6.115  -6.115
  229   2HG   PRO  26          2HG       PRO  26   9.073  -6.950  -6.950
  230   1HD   PRO  26          1HD       PRO  26   8.096  -8.201  -8.201
  231   2HD   PRO  26          2HD       PRO  26   7.566  -8.799  -8.799
  232    H    LYS  27           H        LYS  27   7.301  -5.370  -5.370
  233    HA   LYS  27           HA       LYS  27   5.864  -2.684  -2.684
  234   1HB   LYS  27          1HB       LYS  27   8.161  -3.015  -3.015
  235   2HB   LYS  27          2HB       LYS  27   7.850  -1.728  -1.728
  236   1HG   LYS  27          1HG       LYS  27   8.483  -4.089  -4.089
  237   2HG   LYS  27          2HG       LYS  27   9.628  -4.083  -4.083
  238   1HD   LYS  27          1HD       LYS  27   9.212  -1.440  -1.440
  239   2HD   LYS  27          2HD       LYS  27   9.907  -2.738  -2.738
  240   1HE   LYS  27          1HE       LYS  27  11.009  -2.127  -2.127
  241   2HE   LYS  27          2HE       LYS  27  11.618  -1.268  -1.268
  242   1HZ   LYS  27          1HZ       LYS  27  11.428  -4.195  -4.195
  243   2HZ   LYS  27          2HZ       LYS  27  12.666  -3.517  -3.517
  244   3HZ   LYS  27          3HZ       LYS  27  12.528  -3.146  -3.146
  245    H    CYS  28           H        CYS  28   4.520  -2.056  -2.056
  246    HA   CYS  28           HA       CYS  28   3.625  -3.787  -3.787
  247   1HB   CYS  28          1HB       CYS  28   2.908  -1.490  -1.490
  248   2HB   CYS  28          2HB       CYS  28   2.162  -1.968  -1.968
  249    H    ALA  29           H        ALA  29   3.685  -2.719  -2.719
  250    HA   ALA  29           HA       ALA  29   6.379  -3.101  -3.101
  251   1HB   ALA  29          1HB       ALA  29   4.230  -3.264  -3.264
  252   2HB   ALA  29          2HB       ALA  29   3.950  -1.519  -1.519
  253   3HB   ALA  29          3HB       ALA  29   5.337  -2.097  -2.097
  254    H    LYS  30           H        LYS  30   4.534  -0.188  -0.188
  255    HA   LYS  30           HA       LYS  30   6.371   1.830   1.830
  256   1HB   LYS  30          1HB       LYS  30   4.542   1.532   1.532
  257   2HB   LYS  30          2HB       LYS  30   5.481   3.000   3.000
  258   1HG   LYS  30          1HG       LYS  30   3.348   1.858   1.858
  259   2HG   LYS  30          2HG       LYS  30   3.185   3.297   3.297
  260   1HD   LYS  30          1HD       LYS  30   5.573   3.426   3.426
  261   2HD   LYS  30          2HD       LYS  30   4.107   3.068   3.068
  262   1HE   LYS  30          1HE       LYS  30   2.973   5.031   5.031
  263   2HE   LYS  30          2HE       LYS  30   4.634   5.527   5.527
  264   1HZ   LYS  30          1HZ       LYS  30   5.007   5.339   5.339
  265   2HZ   LYS  30          2HZ       LYS  30   3.331   5.317   5.317
  266   3HZ   LYS  30          3HZ       LYS  30   4.097   6.638   6.638
  267    H    CYS  31           H        CYS  31   6.170   0.729   0.729
  268    HA   CYS  31           HA       CYS  31   8.520   2.288   2.288
  269   1HB   CYS  31          1HB       CYS  31   7.416  -0.163  -0.163
  270   2HB   CYS  31          2HB       CYS  31   8.440   1.094   1.094
  271    H    LEU  32           H        LEU  32   8.246  -1.060  -1.060
  272    HA   LEU  32           HA       LEU  32  11.068  -1.709  -1.709
  273   1HB   LEU  32          1HB       LEU  32   9.432  -3.542  -3.542
  274   2HB   LEU  32          2HB       LEU  32   9.006  -2.896  -2.896
  275    HG   LEU  32           HG       LEU  32  10.345  -5.018  -5.018
  276   1HD1  LEU  32          1HD1      LEU  32  10.295  -3.448  -3.448
  277   2HD1  LEU  32          2HD1      LEU  32  11.720  -2.583  -2.583
  278   3HD1  LEU  32          3HD1      LEU  32  11.857  -4.280  -4.280
  279   1HD2  LEU  32          1HD2      LEU  32  12.670  -3.274  -3.274
  280   2HD2  LEU  32          2HD2      LEU  32  11.937  -4.690  -4.690
  281   3HD2  LEU  32          3HD2      LEU  32  12.855  -4.906  -4.906
  282    H    LYS  33           H        LYS  33   9.478  -0.209  -0.209
  283    HA   LYS  33           HA       LYS  33  11.863  -0.428  -0.428
  284   1HB   LYS  33          1HB       LYS  33   9.260   1.258   1.258
  285   2HB   LYS  33          2HB       LYS  33  10.533   1.426   1.426
  286   1HG   LYS  33          1HG       LYS  33   9.648  -1.439  -1.439
  287   2HG   LYS  33          2HG       LYS  33   8.413  -0.390  -0.390
  288   1HD   LYS  33          1HD       LYS  33  11.111  -0.221  -0.221
  289   2HD   LYS  33          2HD       LYS  33  10.381  -1.838  -1.838
  290   1HE   LYS  33          1HE       LYS  33   9.564  -0.595  -0.595
  291   2HE   LYS  33          2HE       LYS  33   8.194  -0.819  -0.819
  292   1HZ   LYS  33          1HZ       LYS  33   9.687   1.553   1.553
  293   2HZ   LYS  33          2HZ       LYS  33   9.094   1.562   1.562
  294   3HZ   LYS  33          3HZ       LYS  33   8.041   1.353   1.353
  295    H    ASN  34           H        ASN  34  10.729   1.736   1.736
  296    HA   ASN  34           HA       ASN  34  12.939   3.706   3.706
  297   1HB   ASN  34          1HB       ASN  34  10.121   4.058   4.058
  298   2HB   ASN  34          2HB       ASN  34  11.321   5.277   5.277
  299   1HD2  ASN  34          1HD2      ASN  34   9.346   5.539   5.539
  300   2HD2  ASN  34          2HD2      ASN  34   8.941   4.270   4.270
  301    H    ASN  35           H        ASN  35  12.676   1.263   1.263
  302    HA   ASN  35           HA       ASN  35  13.179   0.837   0.837
  303   1HB   ASN  35          1HB       ASN  35  15.475   1.214   1.214
  304   2HB   ASN  35          2HB       ASN  35  15.218   2.930   2.930
  305   1HD2  ASN  35          1HD2      ASN  35  15.469   2.435   2.435
  306   2HD2  ASN  35          2HD2      ASN  35  14.148   1.524   1.524
  307    H    TRP  36           H        TRP  36  11.221   1.464   1.464
  308    HA   TRP  36           HA       TRP  36  11.276   4.144   4.144
  309   1HB   TRP  36          1HB       TRP  36   9.035   2.821   2.821
  310   2HB   TRP  36          2HB       TRP  36   8.631   4.026   4.026
  311    HD1  TRP  36           HD1      TRP  36  11.586   5.665   5.665
  312    HE1  TRP  36           HE1      TRP  36  11.335   7.456   7.456
  313    HE3  TRP  36           HE3      TRP  36   7.279   3.763   3.763
  314    HZ2  TRP  36           HZ2      TRP  36   9.362   7.860   7.860
  315    HZ3  TRP  36           HZ3      TRP  36   6.349   4.796   4.796
  316    HH2  TRP  36           HH2      TRP  36   7.323   6.859   6.859
  317    H    GLU  37           H        GLU  37   9.382   4.177   4.177
  318    HA   GLU  37           HA       GLU  37   9.695   1.578   1.578
  319   1HB   GLU  37          1HB       GLU  37  10.571   3.453   3.453
  320   2HB   GLU  37          2HB       GLU  37   9.271   4.524   4.524
  321   1HG   GLU  37          1HG       GLU  37   8.186   4.085   4.085
  322   2HG   GLU  37          2HG       GLU  37   7.983   2.411   2.411
  323    H    CYS  38           H        CYS  38   8.102   0.911   0.911
  324    HA   CYS  38           HA       CYS  38   5.327   1.456   1.456
  325   1HB   CYS  38          1HB       CYS  38   6.550  -0.342  -0.342
  326   2HB   CYS  38          2HB       CYS  38   6.509  -1.425  -1.425
  327    H    ARG  39           H        ARG  39   4.655   2.200   2.200
  328    HA   ARG  39           HA       ARG  39   4.547   0.252   0.252
  329   1HB   ARG  39          1HB       ARG  39   4.875   3.095   3.095
  330   2HB   ARG  39          2HB       ARG  39   3.220   2.925   2.925
  331   1HG   ARG  39          1HG       ARG  39   4.727   1.120   1.120
  332   2HG   ARG  39          2HG       ARG  39   5.784   2.513   2.513
  333   1HD   ARG  39          1HD       ARG  39   3.560   3.930   3.930
  334   2HD   ARG  39          2HD       ARG  39   2.981   2.383   2.383
  335    HE   ARG  39           HE       ARG  39   5.512   2.504   2.504
  336   1HH1  ARG  39          1HH1      ARG  39   3.033   4.931   4.931
  337   2HH1  ARG  39          2HH1      ARG  39   3.613   5.720   5.720
  338   1HH2  ARG  39          1HH2      ARG  39   6.084   3.414   3.414
  339   2HH2  ARG  39          2HH2      ARG  39   5.272   4.900   4.900
  340    H    TYR  40           H        TYR  40   3.130  -1.203  -1.203
  341    HA   TYR  40           HA       TYR  40   0.283  -0.355  -0.355
  342   1HB   TYR  40          1HB       TYR  40   1.529  -3.173  -3.173
  343   2HB   TYR  40          2HB       TYR  40  -0.168  -2.924  -2.924
  344    HD1  TYR  40           HD1      TYR  40  -0.421  -1.118  -1.118
  345    HD2  TYR  40           HD2      TYR  40   2.358  -4.319  -4.319
  346    HE1  TYR  40           HE1      TYR  40  -0.203  -1.468  -1.468
  347    HE2  TYR  40           HE2      TYR  40   2.546  -4.682  -4.682
  348    HH   TYR  40           HH       TYR  40   0.685  -4.048  -4.048
  349    H    SER  41           H        SER  41   1.131   0.745   0.745
  350    HA   SER  41           HA       SER  41  -0.487  -0.856  -0.856
  351   1HB   SER  41          1HB       SER  41   2.165  -0.339  -0.339
  352   2HB   SER  41          2HB       SER  41   1.555   1.196   1.196
  353    HG   SER  41           HG       SER  41   0.548   0.184   0.184
  354    HA   PRO  42           HA       PRO  42  -2.543   3.238   3.238
  355   1HB   PRO  42          1HB       PRO  42  -4.663   1.056   1.056
  356   2HB   PRO  42          2HB       PRO  42  -4.489   2.590   2.590
  357   1HG   PRO  42          1HG       PRO  42  -3.646   0.056   0.056
  358   2HG   PRO  42          2HG       PRO  42  -2.720   1.673   1.673
  359   1HD   PRO  42          1HD       PRO  42  -2.535  -0.645  -0.645
  360   2HD   PRO  42          2HD       PRO  42  -1.183   0.115   0.115
  361    H    LYS  43           H        LYS  43  -4.578   0.847   0.847
  362    HA   LYS  43           HA       LYS  43  -6.038   1.445   1.445
  363   1HB   LYS  43          1HB       LYS  43  -4.320  -0.413  -0.413
  364   2HB   LYS  43          2HB       LYS  43  -3.199   0.761   0.761
  365   1HG   LYS  43          1HG       LYS  43  -4.720   1.212   1.212
  366   2HG   LYS  43          2HG       LYS  43  -6.028   0.299   0.299
  367   1HD   LYS  43          1HD       LYS  43  -4.519  -1.793  -1.793
  368   2HD   LYS  43          2HD       LYS  43  -3.349  -0.779  -0.779
  369   1HE   LYS  43          1HE       LYS  43  -4.600  -1.460  -1.460
  370   2HE   LYS  43          2HE       LYS  43  -5.579  -0.050  -0.050
  371   1HZ   LYS  43          1HZ       LYS  43  -6.202  -2.534  -2.534
  372   2HZ   LYS  43          2HZ       LYS  43  -6.593  -2.469  -2.469
  373   3HZ   LYS  43          3HZ       LYS  43  -7.222  -1.326  -1.326

  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -19.143  13.942  13.942
    2   2H    MET   1          2H        MET   1 -19.422  14.449  14.449
    3   3H    MET   1          3H        MET   1 -19.341  15.578  15.578
    4    HA   MET   1           HA       MET   1 -17.296  15.871  15.871
    5   1HB   MET   1          1HB       MET   1 -17.511  12.894  12.894
    6   2HB   MET   1          2HB       MET   1 -15.980  13.754  13.754
    7   1HG   MET   1          1HG       MET   1 -17.252  15.514  15.514
    8   2HG   MET   1          2HG       MET   1 -18.472  14.234  14.234
    9   1HE   MET   1          1HE       MET   1 -15.479  15.825  15.825
   10   2HE   MET   1          2HE       MET   1 -16.004  15.403  15.403
   11   3HE   MET   1          3HE       MET   1 -14.459  14.761  14.761
   12    H    LYS   2           H        LYS   2 -15.048  14.738  14.738
   13    HA   LYS   2           HA       LYS   2 -14.763  15.112  15.112
   14   1HB   LYS   2          1HB       LYS   2 -12.961  15.033  15.033
   15   2HB   LYS   2          2HB       LYS   2 -12.840  13.320  13.320
   16   1HG   LYS   2          1HG       LYS   2 -11.076  14.662  14.662
   17   2HG   LYS   2          2HG       LYS   2 -12.127  13.815  13.815
   18   1HD   LYS   2          1HD       LYS   2 -13.235  15.902  15.902
   19   2HD   LYS   2          2HD       LYS   2 -12.603  16.748  16.748
   20   1HE   LYS   2          1HE       LYS   2 -10.258  16.590  16.590
   21   2HE   LYS   2          2HE       LYS   2 -10.743  15.553  15.553
   22   1HZ   LYS   2          1HZ       LYS   2 -12.404  17.710  17.710
   23   2HZ   LYS   2          2HZ       LYS   2 -10.944  18.396  18.396
   24   3HZ   LYS   2          3HZ       LYS   2 -11.011  17.427  17.427
   25    H    LEU   3           H        LEU   3 -14.788  12.074  12.074
   26    HA   LEU   3           HA       LEU   3 -14.888   9.838   9.838
   27   1HB   LEU   3          1HB       LEU   3 -17.284  10.500  10.500
   28   2HB   LEU   3          2HB       LEU   3 -17.035  11.215  11.215
   29    HG   LEU   3           HG       LEU   3 -16.909   9.111   9.111
   30   1HD1  LEU   3          1HD1      LEU   3 -16.168   7.993   7.993
   31   2HD1  LEU   3          2HD1      LEU   3 -16.856   6.903   6.903
   32   3HD1  LEU   3          3HD1      LEU   3 -15.345   7.785   7.785
   33   1HD2  LEU   3          1HD2      LEU   3 -19.232   9.715   9.715
   34   2HD2  LEU   3          2HD2      LEU   3 -19.032   8.114   8.114
   35   3HD2  LEU   3          3HD2      LEU   3 -18.896   8.316   8.316
   36    H    LEU   4           H        LEU   4 -15.855  10.645  10.645
   37    HA   LEU   4           HA       LEU   4 -14.878   9.678   9.678
   38   1HB   LEU   4          1HB       LEU   4 -12.658  11.482  11.482
   39   2HB   LEU   4          2HB       LEU   4 -12.455  10.675  10.675
   40    HG   LEU   4           HG       LEU   4 -14.636  12.736  12.736
   41   1HD1  LEU   4          1HD1      LEU   4 -11.886  12.910  12.910
   42   2HD1  LEU   4          2HD1      LEU   4 -13.185  13.901  13.901
   43   3HD1  LEU   4          3HD1      LEU   4 -12.757  14.098  14.098
   44   1HD2  LEU   4          1HD2      LEU   4 -14.176  11.036  11.036
   45   2HD2  LEU   4          2HD2      LEU   4 -15.700  11.448  11.448
   46   3HD2  LEU   4          3HD2      LEU   4 -14.841  12.680  12.680
   47    H    SER   5           H        SER   5 -11.742   9.753   9.753
   48    HA   SER   5           HA       SER   5 -11.202   6.990   6.990
   49   1HB   SER   5          1HB       SER   5  -9.771   9.148   9.148
   50   2HB   SER   5          2HB       SER   5  -9.422   7.606   7.606
   51    HG   SER   5           HG       SER   5  -8.715   8.580   8.580
   52    H    SER   6           H        SER   6  -9.976   5.799   5.799
   53    HA   SER   6           HA       SER   6 -10.308   4.749   4.749
   54   1HB   SER   6          1HB       SER   6 -11.543   6.491   6.491
   55   2HB   SER   6          2HB       SER   6 -12.927   6.364   6.364
   56    HG   SER   6           HG       SER   6 -12.411   5.067   5.067
   57    H    ILE   7           H        ILE   7 -10.062   3.135   3.135
   58    HA   ILE   7           HA       ILE   7 -12.271   1.136   1.136
   59    HB   ILE   7           HB       ILE   7 -12.855   2.958   2.958
   60   1HG1  ILE   7          1HG1      ILE   7 -13.201  -0.024  -0.024
   61   2HG1  ILE   7          2HG1      ILE   7 -14.193   0.848   0.848
   62   1HG2  ILE   7          1HG2      ILE   7 -10.432   2.187   2.187
   63   2HG2  ILE   7          2HG2      ILE   7 -11.621   1.260   1.260
   64   3HG2  ILE   7          3HG2      ILE   7 -11.765   2.997   2.997
   65   1HD1  ILE   7          1HD1      ILE   7 -14.790   2.541   2.541
   66   2HD1  ILE   7          2HD1      ILE   7 -14.105   1.327   1.327
   67   3HD1  ILE   7          3HD1      ILE   7 -15.495   0.906   0.906
   68    H    GLU   8           H        GLU   8 -11.348  -0.037  -0.037
   69    HA   GLU   8           HA       GLU   8  -9.521  -1.943  -1.943
   70   1HB   GLU   8          1HB       GLU   8 -10.343  -0.562  -0.562
   71   2HB   GLU   8          2HB       GLU   8  -8.657  -0.104  -0.104
   72   1HG   GLU   8          1HG       GLU   8  -9.050  -2.095  -2.095
   73   2HG   GLU   8          2HG       GLU   8  -7.936  -2.501  -2.501
   74    H    GLN   9           H        GLN   9  -8.154  -2.003  -2.003
   75    HA   GLN   9           HA       GLN   9  -5.978  -0.552  -0.552
   76   1HB   GLN   9          1HB       GLN   9  -6.595  -3.201  -3.201
   77   2HB   GLN   9          2HB       GLN   9  -5.333  -3.265  -3.265
   78   1HG   GLN   9          1HG       GLN   9  -3.626  -3.029  -3.029
   79   2HG   GLN   9          2HG       GLN   9  -4.428  -1.711  -1.711
   80   1HE2  GLN   9          1HE2      GLN   9  -5.715  -4.007  -4.007
   81   2HE2  GLN   9          2HE2      GLN   9  -6.058  -2.406  -2.406
   82    H    ALA  10           H        ALA  10  -4.087   0.177   0.177
   83    HA   ALA  10           HA       ALA  10  -2.646  -0.560  -0.560
   84   1HB   ALA  10          1HB       ALA  10  -4.504   0.603   0.603
   85   2HB   ALA  10          2HB       ALA  10  -4.235   2.095   2.095
   86   3HB   ALA  10          3HB       ALA  10  -2.999   1.517   1.517
   87    H    CYS  11           H        CYS  11  -0.603   0.493   0.493
   88    HA   CYS  11           HA       CYS  11   0.242   1.076   1.076
   89   1HB   CYS  11          1HB       CYS  11   2.524   1.141   1.141
   90   2HB   CYS  11          2HB       CYS  11   1.627  -0.164  -0.164
   91    H    ASP  12           H        ASP  12   1.842   2.793   2.793
   92    HA   ASP  12           HA       ASP  12   0.423   5.324   5.324
   93   1HB   ASP  12          1HB       ASP  12   2.005   4.999   4.999
   94   2HB   ASP  12          2HB       ASP  12   3.298   4.536   4.536
   95    H    ILE  13           H        ILE  13   3.125   4.115   4.115
   96    HA   ILE  13           HA       ILE  13   3.754   6.675   6.675
   97    HB   ILE  13           HB       ILE  13   4.284   3.752   3.752
   98   1HG1  ILE  13          1HG1      ILE  13   5.956   4.609   4.609
   99   2HG1  ILE  13          2HG1      ILE  13   6.724   4.604   4.604
  100   1HG2  ILE  13          1HG2      ILE  13   3.797   4.810   4.810
  101   2HG2  ILE  13          2HG2      ILE  13   5.014   6.029   6.029
  102   3HG2  ILE  13          3HG2      ILE  13   5.498   4.321   4.321
  103   1HD1  ILE  13          1HD1      ILE  13   5.532   7.168   7.168
  104   2HD1  ILE  13          2HD1      ILE  13   7.244   6.715   6.715
  105   3HD1  ILE  13          3HD1      ILE  13   6.433   7.027   7.027
  106    H    CYS  14           H        CYS  14   1.300   4.380   4.380
  107    HA   CYS  14           HA       CYS  14   0.657   5.715   5.715
  108   1HB   CYS  14          1HB       CYS  14  -0.655   3.490   3.490
  109   2HB   CYS  14          2HB       CYS  14  -1.527   4.204   4.204
  110    H    ARG  15           H        ARG  15  -0.461   5.851   5.851
  111    HA   ARG  15           HA       ARG  15  -2.550   7.747   7.747
  112   1HB   ARG  15          1HB       ARG  15  -0.235   7.751   7.751
  113   2HB   ARG  15          2HB       ARG  15  -1.701   8.695   8.695
  114   1HG   ARG  15          1HG       ARG  15  -3.076   6.529   6.529
  115   2HG   ARG  15          2HG       ARG  15  -1.610   5.593   5.593
  116   1HD   ARG  15          1HD       ARG  15  -1.296   5.529   5.529
  117   2HD   ARG  15          2HD       ARG  15  -1.027   7.292   7.292
  118    HE   ARG  15           HE       ARG  15  -3.643   7.469   7.469
  119   1HH1  ARG  15          1HH1      ARG  15  -1.974   4.785   4.785
  120   2HH1  ARG  15          2HH1      ARG  15  -3.338   4.481   4.481
  121   1HH2  ARG  15          1HH2      ARG  15  -5.075   7.081   7.081
  122   2HH2  ARG  15          2HH2      ARG  15  -5.025   5.726   5.726
  123    H    LEU  16           H        LEU  16   0.901   8.527   8.527
  124    HA   LEU  16           HA       LEU  16   0.346  11.441  11.441
  125   1HB   LEU  16          1HB       LEU  16   2.963   9.797   9.797
  126   2HB   LEU  16          2HB       LEU  16   2.940  11.549  11.549
  127    HG   LEU  16           HG       LEU  16   3.094   9.806   9.806
  128   1HD1  LEU  16          1HD1      LEU  16   4.190  12.052  12.052
  129   2HD1  LEU  16          2HD1      LEU  16   2.613  12.864  12.864
  130   3HD1  LEU  16          3HD1      LEU  16   3.297  11.954  11.954
  131   1HD2  LEU  16          1HD2      LEU  16   0.399  11.341  11.341
  132   2HD2  LEU  16          2HD2      LEU  16   0.625   9.577   9.577
  133   3HD2  LEU  16          3HD2      LEU  16   1.169  10.598  10.598
  134    H    LYS  17           H        LYS  17   1.711   9.026   9.026
  135    HA   LYS  17           HA       LYS  17   2.301  11.109  11.109
  136   1HB   LYS  17          1HB       LYS  17   2.256   8.043   8.043
  137   2HB   LYS  17          2HB       LYS  17   3.156   9.225   9.225
  138   1HG   LYS  17          1HG       LYS  17   4.043   9.577   9.577
  139   2HG   LYS  17          2HG       LYS  17   3.920   7.836   7.836
  140   1HD   LYS  17          1HD       LYS  17   6.096   8.167   8.167
  141   2HD   LYS  17          2HD       LYS  17   5.290   8.493   8.493
  142   1HE   LYS  17          1HE       LYS  17   5.286  10.922  10.922
  143   2HE   LYS  17          2HE       LYS  17   6.937  10.352  10.352
  144   1HZ   LYS  17          1HZ       LYS  17   5.903  10.079  10.079
  145   2HZ   LYS  17          2HZ       LYS  17   4.998  11.387  11.387
  146   3HZ   LYS  17          3HZ       LYS  17   6.678  11.471  11.471
  147    H    LYS  18           H        LYS  18  -0.369   9.264   9.264
  148    HA   LYS  18           HA       LYS  18  -2.433   8.791   8.791
  149   1HB   LYS  18          1HB       LYS  18  -1.628  11.309  11.309
  150   2HB   LYS  18          2HB       LYS  18  -3.014  10.340  10.340
  151   1HG   LYS  18          1HG       LYS  18  -4.175  10.745  10.745
  152   2HG   LYS  18          2HG       LYS  18  -2.702  11.337  11.337
  153   1HD   LYS  18          1HD       LYS  18  -2.966  13.478  13.478
  154   2HD   LYS  18          2HD       LYS  18  -3.721  12.863  12.863
  155   1HE   LYS  18          1HE       LYS  18  -5.073  12.921  12.921
  156   2HE   LYS  18          2HE       LYS  18  -5.447  14.023  14.023
  157   1HZ   LYS  18          1HZ       LYS  18  -5.586  11.105  11.105
  158   2HZ   LYS  18          2HZ       LYS  18  -6.853  11.918  11.918
  159   3HZ   LYS  18          3HZ       LYS  18  -6.382  12.347  12.347
  160    H    LEU  19           H        LEU  19  -1.370   6.895   6.895
  161    HA   LEU  19           HA       LEU  19  -0.919   6.423   6.423
  162   1HB   LEU  19          1HB       LEU  19   0.791   5.443   5.443
  163   2HB   LEU  19          2HB       LEU  19   0.754   4.539   4.539
  164    HG   LEU  19           HG       LEU  19   2.207   5.942   5.942
  165   1HD1  LEU  19          1HD1      LEU  19   0.573   7.832   7.832
  166   2HD1  LEU  19          2HD1      LEU  19   0.969   8.378   8.378
  167   3HD1  LEU  19          3HD1      LEU  19   2.195   8.451   8.451
  168   1HD2  LEU  19          1HD2      LEU  19   2.658   6.625   6.625
  169   2HD2  LEU  19          2HD2      LEU  19   3.621   5.581   5.581
  170   3HD2  LEU  19          3HD2      LEU  19   3.689   7.335   7.335
  171    H    LYS  20           H        LYS  20  -1.445   4.427   4.427
  172    HA   LYS  20           HA       LYS  20  -3.544   3.004   3.004
  173   1HB   LYS  20          1HB       LYS  20  -2.229   2.150   2.150
  174   2HB   LYS  20          2HB       LYS  20  -3.709   1.481   1.481
  175   1HG   LYS  20          1HG       LYS  20  -4.013   4.413   4.413
  176   2HG   LYS  20          2HG       LYS  20  -3.372   3.846   3.846
  177   1HD   LYS  20          1HD       LYS  20  -5.596   2.123   2.123
  178   2HD   LYS  20          2HD       LYS  20  -6.076   3.831   3.831
  179   1HE   LYS  20          1HE       LYS  20  -6.526   2.878   2.878
  180   2HE   LYS  20          2HE       LYS  20  -5.280   4.130   4.130
  181   1HZ   LYS  20          1HZ       LYS  20  -3.580   2.398   2.398
  182   2HZ   LYS  20          2HZ       LYS  20  -4.763   1.206   1.206
  183   3HZ   LYS  20          3HZ       LYS  20  -4.616   2.157   2.157
  184    H    CYS  21           H        CYS  21  -3.506   1.156   1.156
  185    HA   CYS  21           HA       CYS  21  -0.672   0.108   0.108
  186   1HB   CYS  21          1HB       CYS  21  -1.986   1.535   1.535
  187   2HB   CYS  21          2HB       CYS  21  -3.001   0.103   0.103
  188    H    SER  22           H        SER  22  -1.155  -1.305  -1.305
  189    HA   SER  22           HA       SER  22  -2.838  -3.551  -3.551
  190   1HB   SER  22          1HB       SER  22  -0.771  -4.983  -4.983
  191   2HB   SER  22          2HB       SER  22  -1.084  -3.573  -3.573
  192    HG   SER  22           HG       SER  22   1.097  -4.181  -4.181
  193    H    LYS  23           H        LYS  23  -0.326  -3.001  -3.001
  194    HA   LYS  23           HA       LYS  23  -0.703  -3.475  -3.475
  195   1HB   LYS  23          1HB       LYS  23  -2.911  -5.338  -5.338
  196   2HB   LYS  23          2HB       LYS  23  -2.463  -5.380  -5.380
  197   1HG   LYS  23          1HG       LYS  23  -2.828  -2.570  -2.570
  198   2HG   LYS  23          2HG       LYS  23  -4.123  -3.396  -3.396
  199   1HD   LYS  23          1HD       LYS  23  -4.049  -4.530  -4.530
  200   2HD   LYS  23          2HD       LYS  23  -3.788  -2.786  -2.786
  201   1HE   LYS  23          1HE       LYS  23  -6.305  -4.108  -4.108
  202   2HE   LYS  23          2HE       LYS  23  -6.025  -2.366  -2.366
  203   1HZ   LYS  23          1HZ       LYS  23  -5.589  -3.956  -3.956
  204   2HZ   LYS  23          2HZ       LYS  23  -6.888  -2.933  -2.933
  205   3HZ   LYS  23          3HZ       LYS  23  -5.338  -2.299  -2.299
  206    H    GLU  24           H        GLU  24   0.567  -5.387  -5.387
  207    HA   GLU  24           HA       GLU  24   1.439  -7.720  -7.720
  208   1HB   GLU  24          1HB       GLU  24   3.847  -7.024  -7.024
  209   2HB   GLU  24          2HB       GLU  24   2.541  -7.544  -7.544
  210   1HG   GLU  24          1HG       GLU  24   2.001  -4.873  -4.873
  211   2HG   GLU  24          2HG       GLU  24   3.661  -4.705  -4.705
  212    H    LYS  25           H        LYS  25   3.308  -8.253  -8.253
  213    HA   LYS  25           HA       LYS  25   3.866  -6.197  -6.197
  214   1HB   LYS  25          1HB       LYS  25   2.553  -8.969  -8.969
  215   2HB   LYS  25          2HB       LYS  25   3.206  -8.001  -8.001
  216   1HG   LYS  25          1HG       LYS  25   1.574  -6.077  -6.077
  217   2HG   LYS  25          2HG       LYS  25   0.831  -7.297  -7.297
  218   1HD   LYS  25          1HD       LYS  25  -0.531  -7.683  -7.683
  219   2HD   LYS  25          2HD       LYS  25   0.839  -8.540  -8.540
  220   1HE   LYS  25          1HE       LYS  25   1.042  -5.540  -5.540
  221   2HE   LYS  25          2HE       LYS  25  -0.364  -6.217  -6.217
  222   1HZ   LYS  25          1HZ       LYS  25   2.119  -7.712  -7.712
  223   2HZ   LYS  25          2HZ       LYS  25   2.070  -6.196  -6.196
  224   3HZ   LYS  25          3HZ       LYS  25   0.916  -7.354  -7.354
  225    HA   PRO  26           HA       PRO  26   4.747  -6.349  -6.349
  226   1HB   PRO  26          1HB       PRO  26   7.107  -5.075  -5.075
  227   2HB   PRO  26          2HB       PRO  26   6.687  -6.797  -6.797
  228   1HG   PRO  26          1HG       PRO  26   8.195  -6.157  -6.157
  229   2HG   PRO  26          2HG       PRO  26   8.792  -6.997  -6.997
  230   1HD   PRO  26          1HD       PRO  26   7.800  -8.249  -8.249
  231   2HD   PRO  26          2HD       PRO  26   7.184  -8.770  -8.770
  232    H    LYS  27           H        LYS  27   7.144  -5.379  -5.379
  233    HA   LYS  27           HA       LYS  27   5.730  -2.681  -2.681
  234   1HB   LYS  27          1HB       LYS  27   8.244  -3.310  -3.310
  235   2HB   LYS  27          2HB       LYS  27   7.730  -1.773  -1.773
  236   1HG   LYS  27          1HG       LYS  27   8.146  -2.898  -2.898
  237   2HG   LYS  27          2HG       LYS  27   8.959  -4.186  -4.186
  238   1HD   LYS  27          1HD       LYS  27   9.892  -1.432  -1.432
  239   2HD   LYS  27          2HD       LYS  27  10.068  -1.786  -1.786
  240   1HE   LYS  27          1HE       LYS  27  11.291  -3.926  -3.926
  241   2HE   LYS  27          2HE       LYS  27  11.055  -3.710  -3.710
  242   1HZ   LYS  27          1HZ       LYS  27  12.202  -1.473  -1.473
  243   2HZ   LYS  27          2HZ       LYS  27  12.692  -2.053  -2.053
  244   3HZ   LYS  27          3HZ       LYS  27  13.153  -2.857  -2.857
  245    H    CYS  28           H        CYS  28   4.487  -2.069  -2.069
  246    HA   CYS  28           HA       CYS  28   3.644  -3.842  -3.842
  247   1HB   CYS  28          1HB       CYS  28   3.010  -1.548  -1.548
  248   2HB   CYS  28          2HB       CYS  28   2.163  -2.036  -2.036
  249    H    ALA  29           H        ALA  29   3.808  -2.826  -2.826
  250    HA   ALA  29           HA       ALA  29   6.594  -3.211  -3.211
  251   1HB   ALA  29          1HB       ALA  29   4.521  -3.624  -3.624
  252   2HB   ALA  29          2HB       ALA  29   4.127  -1.889  -1.889
  253   3HB   ALA  29          3HB       ALA  29   5.591  -2.451  -2.451
  254    H    LYS  30           H        LYS  30   4.510  -0.451  -0.451
  255    HA   LYS  30           HA       LYS  30   6.122   1.750   1.750
  256   1HB   LYS  30          1HB       LYS  30   3.848   1.259   1.259
  257   2HB   LYS  30          2HB       LYS  30   4.999   1.902   1.902
  258   1HG   LYS  30          1HG       LYS  30   3.287   3.476   3.476
  259   2HG   LYS  30          2HG       LYS  30   4.775   4.071   4.071
  260   1HD   LYS  30          1HD       LYS  30   5.618   3.038   3.038
  261   2HD   LYS  30          2HD       LYS  30   3.998   3.676   3.676
  262   1HE   LYS  30          1HE       LYS  30   4.775   5.810   5.810
  263   2HE   LYS  30          2HE       LYS  30   6.419   5.216   5.216
  264   1HZ   LYS  30          1HZ       LYS  30   4.422   5.686   5.686
  265   2HZ   LYS  30          2HZ       LYS  30   5.664   6.737   6.737
  266   3HZ   LYS  30          3HZ       LYS  30   6.025   5.221   5.221
  267    H    CYS  31           H        CYS  31   6.125   0.611   0.611
  268    HA   CYS  31           HA       CYS  31   8.376   2.337   2.337
  269   1HB   CYS  31          1HB       CYS  31   7.398  -0.165  -0.165
  270   2HB   CYS  31          2HB       CYS  31   8.337   1.163   1.163
  271    H    LEU  32           H        LEU  32   8.211  -1.008  -1.008
  272    HA   LEU  32           HA       LEU  32  11.054  -1.582  -1.582
  273   1HB   LEU  32          1HB       LEU  32   8.988  -3.178  -3.178
  274   2HB   LEU  32          2HB       LEU  32   9.555  -2.770  -2.770
  275    HG   LEU  32           HG       LEU  32  10.951  -4.424  -4.424
  276   1HD1  LEU  32          1HD1      LEU  32   9.429  -5.528  -5.528
  277   2HD1  LEU  32          2HD1      LEU  32  10.556  -4.996  -4.996
  278   3HD1  LEU  32          3HD1      LEU  32  11.100  -6.145  -6.145
  279   1HD2  LEU  32          1HD2      LEU  32  12.625  -2.710  -2.710
  280   2HD2  LEU  32          2HD2      LEU  32  13.072  -4.373  -4.373
  281   3HD2  LEU  32          3HD2      LEU  32  12.345  -3.280  -3.280
  282    H    LYS  33           H        LYS  33   9.395  -0.021  -0.021
  283    HA   LYS  33           HA       LYS  33  11.796  -0.074  -0.074
  284   1HB   LYS  33          1HB       LYS  33   9.122   1.498   1.498
  285   2HB   LYS  33          2HB       LYS  33  10.385   1.748   1.748
  286   1HG   LYS  33          1HG       LYS  33  10.270  -0.750  -0.750
  287   2HG   LYS  33          2HG       LYS  33   9.003  -0.969  -0.969
  288   1HD   LYS  33          1HD       LYS  33   7.449  -0.362  -0.362
  289   2HD   LYS  33          2HD       LYS  33   8.233   1.212   1.212
  290   1HE   LYS  33          1HE       LYS  33   9.300  -1.391  -1.391
  291   2HE   LYS  33          2HE       LYS  33   8.178  -0.300  -0.300
  292   1HZ   LYS  33          1HZ       LYS  33   9.930   1.488   1.488
  293   2HZ   LYS  33          2HZ       LYS  33  10.967   0.164   0.164
  294   3HZ   LYS  33          3HZ       LYS  33  10.145   0.584   0.584
  295    H    ASN  34           H        ASN  34  10.531   1.950   1.950
  296    HA   ASN  34           HA       ASN  34  12.828   3.910   3.910
  297   1HB   ASN  34          1HB       ASN  34   9.873   4.355   4.355
  298   2HB   ASN  34          2HB       ASN  34  11.052   5.553   5.553
  299   1HD2  ASN  34          1HD2      ASN  34   9.466   5.943   5.943
  300   2HD2  ASN  34          2HD2      ASN  34   8.741   4.967   4.967
  301    H    ASN  35           H        ASN  35  12.639   1.511   1.511
  302    HA   ASN  35           HA       ASN  35  13.196   1.006   1.006
  303   1HB   ASN  35          1HB       ASN  35  15.461   1.392   1.392
  304   2HB   ASN  35          2HB       ASN  35  15.282   2.079   2.079
  305   1HD2  ASN  35          1HD2      ASN  35  15.806   5.400   5.400
  306   2HD2  ASN  35          2HD2      ASN  35  14.303   4.723   4.723
  307    H    TRP  36           H        TRP  36  11.185   1.637   1.637
  308    HA   TRP  36           HA       TRP  36  11.174   4.261   4.261
  309   1HB   TRP  36          1HB       TRP  36   9.045   2.843   2.843
  310   2HB   TRP  36          2HB       TRP  36   8.499   3.913   3.913
  311    HD1  TRP  36           HD1      TRP  36  11.373   5.832   5.832
  312    HE1  TRP  36           HE1      TRP  36  11.031   7.672   7.672
  313    HE3  TRP  36           HE3      TRP  36   7.166   3.792   3.792
  314    HZ2  TRP  36           HZ2      TRP  36   9.020   8.058   8.058
  315    HZ3  TRP  36           HZ3      TRP  36   6.141   4.866   4.866
  316    HH2  TRP  36           HH2      TRP  36   7.022   6.988   6.988
  317    H    GLU  37           H        GLU  37   9.245   4.189   4.189
  318    HA   GLU  37           HA       GLU  37   9.578   1.572   1.572
  319   1HB   GLU  37          1HB       GLU  37  10.304   3.956   3.956
  320   2HB   GLU  37          2HB       GLU  37   8.600   4.296   4.296
  321   1HG   GLU  37          1HG       GLU  37   8.330   2.629   2.629
  322   2HG   GLU  37          2HG       GLU  37   9.834   1.828   1.828
  323    H    CYS  38           H        CYS  38   7.962   0.984   0.984
  324    HA   CYS  38           HA       CYS  38   5.193   1.468   1.468
  325   1HB   CYS  38          1HB       CYS  38   6.370  -0.309  -0.309
  326   2HB   CYS  38          2HB       CYS  38   6.403  -1.398  -1.398
  327    H    ARG  39           H        ARG  39   4.360   2.124   2.124
  328    HA   ARG  39           HA       ARG  39   4.712   0.427   0.427
  329   1HB   ARG  39          1HB       ARG  39   4.124   3.355   3.355
  330   2HB   ARG  39          2HB       ARG  39   3.379   2.706   2.706
  331   1HG   ARG  39          1HG       ARG  39   5.444   2.583   2.583
  332   2HG   ARG  39          2HG       ARG  39   6.297   1.979   1.979
  333   1HD   ARG  39          1HD       ARG  39   6.761   4.168   4.168
  334   2HD   ARG  39          2HD       ARG  39   5.347   4.889   4.889
  335    HE   ARG  39           HE       ARG  39   8.010   4.648   4.648
  336   1HH1  ARG  39          1HH1      ARG  39   4.727   4.194   4.194
  337   2HH1  ARG  39          2HH1      ARG  39   5.146   4.564   4.564
  338   1HH2  ARG  39          1HH2      ARG  39   8.386   5.041   5.041
  339   2HH2  ARG  39          2HH2      ARG  39   7.132   5.028   5.028
  340    H    TYR  40           H        TYR  40   3.397  -1.219  -1.219
  341    HA   TYR  40           HA       TYR  40   0.429  -0.526  -0.526
  342   1HB   TYR  40          1HB       TYR  40   1.592  -3.389  -3.389
  343   2HB   TYR  40          2HB       TYR  40  -0.088  -2.946  -2.946
  344    HD1  TYR  40           HD1      TYR  40  -0.752  -1.309  -1.309
  345    HD2  TYR  40           HD2      TYR  40   2.777  -3.769  -3.769
  346    HE1  TYR  40           HE1      TYR  40  -0.693  -1.463  -1.463
  347    HE2  TYR  40           HE2      TYR  40   2.511  -4.297  -4.297
  348    HH   TYR  40           HH       TYR  40   0.212  -3.968  -3.968
  349    H    SER  41           H        SER  41  -0.070  -0.168  -0.168
  350    HA   SER  41           HA       SER  41   0.807  -2.204  -2.204
  351   1HB   SER  41          1HB       SER  41   1.604   0.292   0.292
  352   2HB   SER  41          2HB       SER  41   2.630  -1.081  -1.081
  353    HG   SER  41           HG       SER  41   3.050  -0.180  -0.180
  354    HA   PRO  42           HA       PRO  42  -1.843   1.578   1.578
  355   1HB   PRO  42          1HB       PRO  42  -3.153   1.845   1.845
  356   2HB   PRO  42          2HB       PRO  42  -3.116   3.073   3.073
  357   1HG   PRO  42          1HG       PRO  42  -1.254   3.157   3.157
  358   2HG   PRO  42          2HG       PRO  42  -0.890   3.497   3.497
  359   1HD   PRO  42          1HD       PRO  42  -0.425   1.197   1.197
  360   2HD   PRO  42          2HD       PRO  42   0.634   1.761   1.761
  361    H    LYS  43           H        LYS  43  -3.782   0.277   0.277
  362    HA   LYS  43           HA       LYS  43  -5.935  -0.742  -0.742
  363   1HB   LYS  43          1HB       LYS  43  -3.964  -2.456  -2.456
  364   2HB   LYS  43          2HB       LYS  43  -5.246  -2.450  -2.450
  365   1HG   LYS  43          1HG       LYS  43  -6.600  -2.759  -2.759
  366   2HG   LYS  43          2HG       LYS  43  -5.158  -3.765  -3.765
  367   1HD   LYS  43          1HD       LYS  43  -6.552  -5.322  -5.322
  368   2HD   LYS  43          2HD       LYS  43  -6.089  -4.527  -4.527
  369   1HE   LYS  43          1HE       LYS  43  -8.513  -4.491  -4.491
  370   2HE   LYS  43          2HE       LYS  43  -8.077  -2.842  -2.842
  371   1HZ   LYS  43          1HZ       LYS  43  -8.240  -3.686  -3.686
  372   2HZ   LYS  43          2HZ       LYS  43  -9.016  -5.040  -5.040
  373   3HZ   LYS  43          3HZ       LYS  43  -9.679  -3.511  -3.511

  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -18.440  -9.568  -9.568
    2   2H    MET   1          2H        MET   1 -19.495  -8.848  -8.848
    3   3H    MET   1          3H        MET   1 -17.843  -8.873  -8.873
    4    HA   MET   1           HA       MET   1 -17.844  -6.825  -6.825
    5   1HB   MET   1          1HB       MET   1 -19.706  -6.042  -6.042
    6   2HB   MET   1          2HB       MET   1 -20.241  -6.509  -6.509
    7   1HG   MET   1          1HG       MET   1 -21.431  -8.402  -8.402
    8   2HG   MET   1          2HG       MET   1 -20.327  -8.681  -8.681
    9   1HE   MET   1          1HE       MET   1 -22.392  -9.315  -9.315
   10   2HE   MET   1          2HE       MET   1 -23.341  -8.198  -8.198
   11   3HE   MET   1          3HE       MET   1 -23.843  -8.500  -8.500
   12    H    LYS   2           H        LYS   2 -16.487  -6.104  -6.104
   13    HA   LYS   2           HA       LYS   2 -15.859  -7.957  -7.957
   14   1HB   LYS   2          1HB       LYS   2 -14.160  -6.495  -6.495
   15   2HB   LYS   2          2HB       LYS   2 -13.513  -6.493  -6.493
   16   1HG   LYS   2          1HG       LYS   2 -13.672  -9.051  -9.051
   17   2HG   LYS   2          2HG       LYS   2 -14.345  -9.034  -9.034
   18   1HD   LYS   2          1HD       LYS   2 -12.130  -7.931  -7.931
   19   2HD   LYS   2          2HD       LYS   2 -11.528  -8.141  -8.141
   20   1HE   LYS   2          1HE       LYS   2 -11.501 -10.526 -10.526
   21   2HE   LYS   2          2HE       LYS   2 -12.773 -10.598 -10.598
   22   1HZ   LYS   2          1HZ       LYS   2 -10.968  -9.267  -9.267
   23   2HZ   LYS   2          2HZ       LYS   2  -9.919 -10.069 -10.069
   24   3HZ   LYS   2          3HZ       LYS   2 -10.981 -10.947 -10.947
   25    H    LEU   3           H        LEU   3 -15.587  -4.572  -4.572
   26    HA   LEU   3           HA       LEU   3 -15.409  -2.605  -2.605
   27   1HB   LEU   3          1HB       LEU   3 -17.258  -4.254  -4.254
   28   2HB   LEU   3          2HB       LEU   3 -16.845  -2.581  -2.581
   29    HG   LEU   3           HG       LEU   3 -18.163  -1.735  -1.735
   30   1HD1  LEU   3          1HD1      LEU   3 -17.165  -3.193  -3.193
   31   2HD1  LEU   3          2HD1      LEU   3 -18.203  -4.540  -4.540
   32   3HD1  LEU   3          3HD1      LEU   3 -18.932  -3.061  -3.061
   33   1HD2  LEU   3          1HD2      LEU   3 -19.562  -4.268  -4.268
   34   2HD2  LEU   3          2HD2      LEU   3 -19.763  -2.608  -2.608
   35   3HD2  LEU   3          3HD2      LEU   3 -20.404  -3.078  -3.078
   36    H    LEU   4           H        LEU   4 -13.224  -3.686  -3.686
   37    HA   LEU   4           HA       LEU   4 -12.344  -3.441  -3.441
   38   1HB   LEU   4          1HB       LEU   4 -11.835  -5.692  -5.692
   39   2HB   LEU   4          2HB       LEU   4 -10.351  -5.039  -5.039
   40    HG   LEU   4           HG       LEU   4 -11.168  -5.496  -5.496
   41   1HD1  LEU   4          1HD1      LEU   4 -13.714  -6.210  -6.210
   42   2HD1  LEU   4          2HD1      LEU   4 -13.287  -7.231  -7.231
   43   3HD1  LEU   4          3HD1      LEU   4 -13.503  -5.484  -5.484
   44   1HD2  LEU   4          1HD2      LEU   4 -11.031  -7.807  -7.807
   45   2HD2  LEU   4          2HD2      LEU   4  -9.812  -7.307  -7.307
   46   3HD2  LEU   4          3HD2      LEU   4 -11.292  -8.137  -8.137
   47    H    SER   5           H        SER   5  -9.670  -3.531  -3.531
   48    HA   SER   5           HA       SER   5  -9.196  -1.052  -1.052
   49   1HB   SER   5          1HB       SER   5  -7.010  -0.897  -0.897
   50   2HB   SER   5          2HB       SER   5  -8.195  -1.209  -1.209
   51    HG   SER   5           HG       SER   5  -7.556  -3.558  -3.558
   52    H    SER   6           H        SER   6  -9.764  -3.796  -3.796
   53    HA   SER   6           HA       SER   6  -7.482  -3.543  -3.543
   54   1HB   SER   6          1HB       SER   6  -7.815  -5.799  -5.799
   55   2HB   SER   6          2HB       SER   6  -8.747  -6.284  -6.284
   56    HG   SER   6           HG       SER   6  -6.640  -5.323  -5.323
   57    H    ILE   7           H        ILE   7  -8.081  -4.790  -4.790
   58    HA   ILE   7           HA       ILE   7 -10.394  -5.010  -5.010
   59    HB   ILE   7           HB       ILE   7 -10.509  -2.226  -2.226
   60   1HG1  ILE   7          1HG1      ILE   7 -12.351  -3.922  -3.922
   61   2HG1  ILE   7          2HG1      ILE   7 -12.934  -2.435  -2.435
   62   1HG2  ILE   7          1HG2      ILE   7  -9.918  -1.611  -1.611
   63   2HG2  ILE   7          2HG2      ILE   7 -11.292  -2.585  -2.585
   64   3HG2  ILE   7          3HG2      ILE   7 -11.545  -1.127  -1.127
   65   1HD1  ILE   7          1HD1      ILE   7 -12.350  -4.633  -4.633
   66   2HD1  ILE   7          2HD1      ILE   7 -13.773  -4.825  -4.825
   67   3HD1  ILE   7          3HD1      ILE   7 -13.628  -3.406  -3.406
   68    H    GLU   8           H        GLU   8 -10.307  -4.445  -4.445
   69    HA   GLU   8           HA       GLU   8  -8.021  -4.409  -4.409
   70   1HB   GLU   8          1HB       GLU   8 -10.733  -3.495  -3.495
   71   2HB   GLU   8          2HB       GLU   8  -9.751  -2.180  -2.180
   72   1HG   GLU   8          1HG       GLU   8 -10.331  -3.632  -3.632
   73   2HG   GLU   8          2HG       GLU   8  -8.608  -3.772  -3.772
   74    H    GLN   9           H        GLN   9  -6.303  -3.663  -3.663
   75    HA   GLN   9           HA       GLN   9  -6.198  -0.820  -0.820
   76   1HB   GLN   9          1HB       GLN   9  -4.104  -1.455  -1.455
   77   2HB   GLN   9          2HB       GLN   9  -5.197  -2.824  -2.824
   78   1HG   GLN   9          1HG       GLN   9  -3.642  -3.218  -3.218
   79   2HG   GLN   9          2HG       GLN   9  -2.527  -2.784  -2.784
   80   1HE2  GLN   9          1HE2      GLN   9  -3.946  -6.544  -6.544
   81   2HE2  GLN   9          2HE2      GLN   9  -4.407  -5.226  -5.226
   82    H    ALA  10           H        ALA  10  -4.300   0.489   0.489
   83    HA   ALA  10           HA       ALA  10  -2.805   0.000   0.000
   84   1HB   ALA  10          1HB       ALA  10  -4.790   1.297   1.297
   85   2HB   ALA  10          2HB       ALA  10  -4.487   2.574   2.574
   86   3HB   ALA  10          3HB       ALA  10  -3.339   2.310   2.310
   87    H    CYS  11           H        CYS  11  -0.651   0.700   0.700
   88    HA   CYS  11           HA       CYS  11  -0.021   1.215   1.215
   89   1HB   CYS  11          1HB       CYS  11   2.358   1.178   1.178
   90   2HB   CYS  11          2HB       CYS  11   1.450  -0.092  -0.092
   91    H    ASP  12           H        ASP  12   1.655   2.849   2.849
   92    HA   ASP  12           HA       ASP  12   0.402   5.442   5.442
   93   1HB   ASP  12          1HB       ASP  12   2.296   4.526   4.526
   94   2HB   ASP  12          2HB       ASP  12   3.438   5.042   5.042
   95    H    ILE  13           H        ILE  13   3.010   4.119   4.119
   96    HA   ILE  13           HA       ILE  13   3.710   6.675   6.675
   97    HB   ILE  13           HB       ILE  13   4.223   3.747   3.747
   98   1HG1  ILE  13          1HG1      ILE  13   5.903   4.596   4.596
   99   2HG1  ILE  13          2HG1      ILE  13   6.667   4.619   4.619
  100   1HG2  ILE  13          1HG2      ILE  13   3.727   4.895   4.895
  101   2HG2  ILE  13          2HG2      ILE  13   5.125   5.955   5.955
  102   3HG2  ILE  13          3HG2      ILE  13   5.322   4.199   4.199
  103   1HD1  ILE  13          1HD1      ILE  13   5.917   7.129   7.129
  104   2HD1  ILE  13          2HD1      ILE  13   5.708   7.052   7.052
  105   3HD1  ILE  13          3HD1      ILE  13   7.304   6.745   6.745
  106    H    CYS  14           H        CYS  14   1.269   4.376   4.376
  107    HA   CYS  14           HA       CYS  14   0.749   5.761   5.761
  108   1HB   CYS  14          1HB       CYS  14  -0.683   3.501   3.501
  109   2HB   CYS  14          2HB       CYS  14  -1.407   4.223   4.223
  110    H    ARG  15           H        ARG  15  -0.557   5.814   5.814
  111    HA   ARG  15           HA       ARG  15  -2.654   7.686   7.686
  112   1HB   ARG  15          1HB       ARG  15  -2.562   7.502   7.502
  113   2HB   ARG  15          2HB       ARG  15  -0.981   6.753   6.753
  114   1HG   ARG  15          1HG       ARG  15  -0.120   9.358   9.358
  115   2HG   ARG  15          2HG       ARG  15  -1.697   9.697   9.697
  116   1HD   ARG  15          1HD       ARG  15   0.156   7.568   7.568
  117   2HD   ARG  15          2HD       ARG  15   0.374   9.301   9.301
  118    HE   ARG  15           HE       ARG  15  -1.990   7.586   7.586
  119   1HH1  ARG  15          1HH1      ARG  15  -0.635  10.782  10.782
  120   2HH1  ARG  15          2HH1      ARG  15  -1.835  11.387  11.387
  121   1HH2  ARG  15          1HH2      ARG  15  -3.254   8.311   8.311
  122   2HH2  ARG  15          2HH2      ARG  15  -3.260  10.048  10.048
  123    H    LEU  16           H        LEU  16   0.773   8.502   8.502
  124    HA   LEU  16           HA       LEU  16   0.192  11.408  11.408
  125   1HB   LEU  16          1HB       LEU  16   2.806   9.764   9.764
  126   2HB   LEU  16          2HB       LEU  16   2.810  11.516  11.516
  127    HG   LEU  16           HG       LEU  16   1.863   9.753   9.753
  128   1HD1  LEU  16          1HD1      LEU  16   4.400  10.068  10.068
  129   2HD1  LEU  16          2HD1      LEU  16   4.176  11.806  11.806
  130   3HD1  LEU  16          3HD1      LEU  16   3.788  10.682  10.682
  131   1HD2  LEU  16          1HD2      LEU  16   0.414  11.827  11.827
  132   2HD2  LEU  16          2HD2      LEU  16   1.370  11.864  11.864
  133   3HD2  LEU  16          3HD2      LEU  16   1.868  12.838  12.838
  134    H    LYS  17           H        LYS  17   1.686   9.091   9.091
  135    HA   LYS  17           HA       LYS  17   2.319  11.265  11.265
  136   1HB   LYS  17          1HB       LYS  17   2.487   8.176   8.176
  137   2HB   LYS  17          2HB       LYS  17   3.121   9.302   9.302
  138   1HG   LYS  17          1HG       LYS  17   4.113   9.788   9.788
  139   2HG   LYS  17          2HG       LYS  17   4.570   8.227   8.227
  140   1HD   LYS  17          1HD       LYS  17   5.986   9.234   9.234
  141   2HD   LYS  17          2HD       LYS  17   4.982  10.690  10.690
  142   1HE   LYS  17          1HE       LYS  17   6.422  10.070  10.070
  143   2HE   LYS  17          2HE       LYS  17   7.294  10.884  10.884
  144   1HZ   LYS  17          1HZ       LYS  17   5.517  12.549  12.549
  145   2HZ   LYS  17          2HZ       LYS  17   4.730  11.802  11.802
  146   3HZ   LYS  17          3HZ       LYS  17   6.249  12.487  12.487
  147    H    LYS  18           H        LYS  18  -0.340   9.320   9.320
  148    HA   LYS  18           HA       LYS  18  -2.363   8.906   8.906
  149   1HB   LYS  18          1HB       LYS  18  -1.452  11.420  11.420
  150   2HB   LYS  18          2HB       LYS  18  -2.853  10.486  10.486
  151   1HG   LYS  18          1HG       LYS  18  -4.163  11.305  11.305
  152   2HG   LYS  18          2HG       LYS  18  -2.894  11.015  11.015
  153   1HD   LYS  18          1HD       LYS  18  -3.203  13.361  13.361
  154   2HD   LYS  18          2HD       LYS  18  -1.802  13.222  13.222
  155   1HE   LYS  18          1HE       LYS  18  -3.778  14.742  14.742
  156   2HE   LYS  18          2HE       LYS  18  -3.125  13.575  13.575
  157   1HZ   LYS  18          1HZ       LYS  18  -5.350  12.791  12.791
  158   2HZ   LYS  18          2HZ       LYS  18  -5.641  13.658  13.658
  159   3HZ   LYS  18          3HZ       LYS  18  -4.903  12.149  12.149
  160    H    LEU  19           H        LEU  19  -1.333   6.996   6.996
  161    HA   LEU  19           HA       LEU  19  -0.609   6.568   6.568
  162   1HB   LEU  19          1HB       LEU  19   0.954   5.888   5.888
  163   2HB   LEU  19          2HB       LEU  19   0.883   4.612   4.612
  164    HG   LEU  19           HG       LEU  19   2.290   5.705   5.705
  165   1HD1  LEU  19          1HD1      LEU  19   0.765   7.857   7.857
  166   2HD1  LEU  19          2HD1      LEU  19   1.859   8.489   8.489
  167   3HD1  LEU  19          3HD1      LEU  19   2.496   8.081   8.081
  168   1HD2  LEU  19          1HD2      LEU  19   3.269   5.565   5.565
  169   2HD2  LEU  19          2HD2      LEU  19   4.236   6.152   6.152
  170   3HD2  LEU  19          3HD2      LEU  19   3.467   7.315   7.315
  171    H    LYS  20           H        LYS  20  -0.571   4.276   4.276
  172    HA   LYS  20           HA       LYS  20  -3.045   2.946   2.946
  173   1HB   LYS  20          1HB       LYS  20  -1.322   1.540   1.540
  174   2HB   LYS  20          2HB       LYS  20  -3.073   1.629   1.629
  175   1HG   LYS  20          1HG       LYS  20  -3.174   3.763   3.763
  176   2HG   LYS  20          2HG       LYS  20  -1.546   4.218   4.218
  177   1HD   LYS  20          1HD       LYS  20  -1.165   3.779   3.779
  178   2HD   LYS  20          2HD       LYS  20  -0.912   2.127   2.127
  179   1HE   LYS  20          1HE       LYS  20  -3.806   2.909   2.909
  180   2HE   LYS  20          2HE       LYS  20  -2.765   2.703   2.703
  181   1HZ   LYS  20          1HZ       LYS  20  -2.442   0.650   0.650
  182   2HZ   LYS  20          2HZ       LYS  20  -3.953   0.689   0.689
  183   3HZ   LYS  20          3HZ       LYS  20  -2.566   0.519   0.519
  184    H    CYS  21           H        CYS  21  -3.120   0.838   0.838
  185    HA   CYS  21           HA       CYS  21  -0.460  -0.066  -0.066
  186   1HB   CYS  21          1HB       CYS  21  -1.993   1.554   1.554
  187   2HB   CYS  21          2HB       CYS  21  -3.012   0.128   0.128
  188    H    SER  22           H        SER  22  -0.824  -1.592  -1.592
  189    HA   SER  22           HA       SER  22  -2.539  -3.815  -3.815
  190   1HB   SER  22          1HB       SER  22  -0.420  -5.260  -5.260
  191   2HB   SER  22          2HB       SER  22  -0.771  -3.930  -3.930
  192    HG   SER  22           HG       SER  22   0.921  -2.811  -2.811
  193    H    LYS  23           H        LYS  23  -0.547  -2.929  -2.929
  194    HA   LYS  23           HA       LYS  23  -0.623  -3.793  -3.793
  195   1HB   LYS  23          1HB       LYS  23  -2.641  -5.785  -5.785
  196   2HB   LYS  23          2HB       LYS  23  -2.288  -5.729  -5.729
  197   1HG   LYS  23          1HG       LYS  23  -3.881  -4.072  -4.072
  198   2HG   LYS  23          2HG       LYS  23  -2.855  -2.995  -2.995
  199   1HD   LYS  23          1HD       LYS  23  -4.016  -4.048  -4.048
  200   2HD   LYS  23          2HD       LYS  23  -5.127  -4.844  -4.844
  201   1HE   LYS  23          1HE       LYS  23  -5.020  -2.135  -2.135
  202   2HE   LYS  23          2HE       LYS  23  -5.060  -1.962  -1.962
  203   1HZ   LYS  23          1HZ       LYS  23  -6.846  -4.007  -4.007
  204   2HZ   LYS  23          2HZ       LYS  23  -7.203  -2.470  -2.470
  205   3HZ   LYS  23          3HZ       LYS  23  -7.129  -2.745  -2.745
  206    H    GLU  24           H        GLU  24   0.544  -5.627  -5.627
  207    HA   GLU  24           HA       GLU  24   1.622  -7.921  -7.921
  208   1HB   GLU  24          1HB       GLU  24   3.930  -7.249  -7.249
  209   2HB   GLU  24          2HB       GLU  24   2.547  -7.657  -7.657
  210   1HG   GLU  24          1HG       GLU  24   2.108  -5.187  -5.187
  211   2HG   GLU  24          2HG       GLU  24   3.430  -4.742  -4.742
  212    H    LYS  25           H        LYS  25   3.580  -8.412  -8.412
  213    HA   LYS  25           HA       LYS  25   4.233  -6.340  -6.340
  214   1HB   LYS  25          1HB       LYS  25   3.113  -9.176  -9.176
  215   2HB   LYS  25          2HB       LYS  25   3.737  -8.106  -8.106
  216   1HG   LYS  25          1HG       LYS  25   1.783  -6.801  -6.801
  217   2HG   LYS  25          2HG       LYS  25   1.622  -6.830  -6.830
  218   1HD   LYS  25          1HD       LYS  25   0.861  -9.365  -9.365
  219   2HD   LYS  25          2HD       LYS  25   0.681  -8.862  -8.862
  220   1HE   LYS  25          1HE       LYS  25  -1.305  -7.780  -7.780
  221   2HE   LYS  25          2HE       LYS  25  -0.520  -6.757  -6.757
  222   1HZ   LYS  25          1HZ       LYS  25  -1.135  -9.564  -9.564
  223   2HZ   LYS  25          2HZ       LYS  25  -2.349  -8.401  -8.401
  224   3HZ   LYS  25          3HZ       LYS  25  -0.985  -8.232  -8.232
  225    HA   PRO  26           HA       PRO  26   5.212  -6.635  -6.635
  226   1HB   PRO  26          1HB       PRO  26   7.543  -5.283  -5.283
  227   2HB   PRO  26          2HB       PRO  26   7.242  -7.064  -7.064
  228   1HG   PRO  26          1HG       PRO  26   8.558  -6.183  -6.183
  229   2HG   PRO  26          2HG       PRO  26   9.290  -7.084  -7.084
  230   1HD   PRO  26          1HD       PRO  26   8.230  -8.259  -8.259
  231   2HD   PRO  26          2HD       PRO  26   7.725  -8.894  -8.894
  232    H    LYS  27           H        LYS  27   7.378  -5.402  -5.402
  233    HA   LYS  27           HA       LYS  27   5.754  -2.820  -2.820
  234   1HB   LYS  27          1HB       LYS  27   7.809  -2.427  -2.427
  235   2HB   LYS  27          2HB       LYS  27   7.838  -1.877  -1.877
  236   1HG   LYS  27          1HG       LYS  27   8.787  -4.359  -4.359
  237   2HG   LYS  27          2HG       LYS  27   9.117  -4.407  -4.407
  238   1HD   LYS  27          1HD       LYS  27  10.125  -1.888  -1.888
  239   2HD   LYS  27          2HD       LYS  27  10.662  -3.252  -3.252
  240   1HE   LYS  27          1HE       LYS  27  11.771  -4.369  -4.369
  241   2HE   LYS  27          2HE       LYS  27  10.867  -3.475  -3.475
  242   1HZ   LYS  27          1HZ       LYS  27  11.966  -1.415  -1.415
  243   2HZ   LYS  27          2HZ       LYS  27  12.975  -2.410  -2.410
  244   3HZ   LYS  27          3HZ       LYS  27  12.984  -2.509  -2.509
  245    H    CYS  28           H        CYS  28   4.428  -2.210  -2.210
  246    HA   CYS  28           HA       CYS  28   3.554  -3.939  -3.939
  247   1HB   CYS  28          1HB       CYS  28   2.763  -1.649  -1.649
  248   2HB   CYS  28          2HB       CYS  28   2.069  -2.167  -2.167
  249    H    ALA  29           H        ALA  29   3.543  -2.854  -2.854
  250    HA   ALA  29           HA       ALA  29   6.246  -3.127  -3.127
  251   1HB   ALA  29          1HB       ALA  29   4.078  -3.392  -3.392
  252   2HB   ALA  29          2HB       ALA  29   3.719  -1.663  -1.663
  253   3HB   ALA  29          3HB       ALA  29   5.115  -2.168  -2.168
  254    H    LYS  30           H        LYS  30   4.242  -0.392  -0.392
  255    HA   LYS  30           HA       LYS  30   5.848   1.791   1.791
  256   1HB   LYS  30          1HB       LYS  30   3.592   1.400   1.400
  257   2HB   LYS  30          2HB       LYS  30   4.758   1.900   1.900
  258   1HG   LYS  30          1HG       LYS  30   3.187   3.632   3.632
  259   2HG   LYS  30          2HG       LYS  30   4.568   4.113   4.113
  260   1HD   LYS  30          1HD       LYS  30   5.397   4.945   4.945
  261   2HD   LYS  30          2HD       LYS  30   5.788   3.270   3.270
  262   1HE   LYS  30          1HE       LYS  30   2.898   3.800   3.800
  263   2HE   LYS  30          2HE       LYS  30   3.890   4.978   4.978
  264   1HZ   LYS  30          1HZ       LYS  30   5.285   2.754   2.754
  265   2HZ   LYS  30          2HZ       LYS  30   3.742   2.097   2.097
  266   3HZ   LYS  30          3HZ       LYS  30   4.055   3.304   3.304
  267    H    CYS  31           H        CYS  31   5.973   0.620   0.620
  268    HA   CYS  31           HA       CYS  31   8.249   2.320   2.320
  269   1HB   CYS  31          1HB       CYS  31   7.266  -0.219  -0.219
  270   2HB   CYS  31          2HB       CYS  31   8.345   0.999   0.999
  271    H    LEU  32           H        LEU  32   8.047  -1.002  -1.002
  272    HA   LEU  32           HA       LEU  32  10.927  -1.561  -1.561
  273   1HB   LEU  32          1HB       LEU  32   9.231  -3.387  -3.387
  274   2HB   LEU  32          2HB       LEU  32   8.863  -2.712  -2.712
  275    HG   LEU  32           HG       LEU  32  10.409  -4.865  -4.865
  276   1HD1  LEU  32          1HD1      LEU  32   9.808  -3.678  -3.678
  277   2HD1  LEU  32          2HD1      LEU  32  11.265  -2.693  -2.693
  278   3HD1  LEU  32          3HD1      LEU  32  11.407  -4.463  -4.463
  279   1HD2  LEU  32          1HD2      LEU  32  12.085  -3.682  -3.682
  280   2HD2  LEU  32          2HD2      LEU  32  12.849  -4.364  -4.364
  281   3HD2  LEU  32          3HD2      LEU  32  12.525  -2.617  -2.617
  282    H    LYS  33           H        LYS  33   9.106   0.106   0.106
  283    HA   LYS  33           HA       LYS  33  11.287   0.020   0.020
  284   1HB   LYS  33          1HB       LYS  33   8.707   1.723   1.723
  285   2HB   LYS  33          2HB       LYS  33   9.837   1.944   1.944
  286   1HG   LYS  33          1HG       LYS  33   8.523  -0.798  -0.798
  287   2HG   LYS  33          2HG       LYS  33   7.773   0.391   0.391
  288   1HD   LYS  33          1HD       LYS  33   9.194  -0.171  -0.171
  289   2HD   LYS  33          2HD       LYS  33  10.624  -0.277  -0.277
  290   1HE   LYS  33          1HE       LYS  33   9.566  -2.466  -2.466
  291   2HE   LYS  33          2HE       LYS  33   8.409  -2.429  -2.429
  292   1HZ   LYS  33          1HZ       LYS  33  11.299  -2.173  -2.173
  293   2HZ   LYS  33          2HZ       LYS  33  10.608  -3.683  -3.683
  294   3HZ   LYS  33          3HZ       LYS  33  10.064  -2.720  -2.720
  295    H    ASN  34           H        ASN  34  10.375   2.024   2.024
  296    HA   ASN  34           HA       ASN  34  12.560   4.010   4.010
  297   1HB   ASN  34          1HB       ASN  34   9.774   4.357   4.357
  298   2HB   ASN  34          2HB       ASN  34  11.001   5.471   5.471
  299   1HD2  ASN  34          1HD2      ASN  34   9.254   6.091   6.091
  300   2HD2  ASN  34          2HD2      ASN  34   8.914   4.547   4.547
  301    H    ASN  35           H        ASN  35  12.360   1.467   1.467
  302    HA   ASN  35           HA       ASN  35  12.986   0.881   0.881
  303   1HB   ASN  35          1HB       ASN  35  15.243   1.364   1.364
  304   2HB   ASN  35          2HB       ASN  35  14.963   3.093   3.093
  305   1HD2  ASN  35          1HD2      ASN  35  15.388   2.155   2.155
  306   2HD2  ASN  35          2HD2      ASN  35  14.016   1.367   1.367
  307    H    TRP  36           H        TRP  36  11.083   1.412   1.412
  308    HA   TRP  36           HA       TRP  36  11.211   3.993   3.993
  309   1HB   TRP  36          1HB       TRP  36   8.902   2.760   2.760
  310   2HB   TRP  36          2HB       TRP  36   8.533   3.867   3.867
  311    HD1  TRP  36           HD1      TRP  36  11.449   5.604   5.604
  312    HE1  TRP  36           HE1      TRP  36  11.099   7.491   7.491
  313    HE3  TRP  36           HE3      TRP  36   7.064   3.786   3.786
  314    HZ2  TRP  36           HZ2      TRP  36   9.015   7.985   7.985
  315    HZ3  TRP  36           HZ3      TRP  36   6.011   4.909   4.909
  316    HH2  TRP  36           HH2      TRP  36   6.930   7.006   7.006
  317    H    GLU  37           H        GLU  37   9.392   3.949   3.949
  318    HA   GLU  37           HA       GLU  37   9.651   1.249   1.249
  319   1HB   GLU  37          1HB       GLU  37  10.481   3.638   3.638
  320   2HB   GLU  37          2HB       GLU  37   8.797   3.914   3.914
  321   1HG   GLU  37          1HG       GLU  37   9.323   3.009   3.009
  322   2HG   GLU  37          2HG       GLU  37   9.122   1.460   1.460
  323    H    CYS  38           H        CYS  38   7.941   0.881   0.881
  324    HA   CYS  38           HA       CYS  38   5.230   1.414   1.414
  325   1HB   CYS  38          1HB       CYS  38   6.353  -0.420  -0.420
  326   2HB   CYS  38          2HB       CYS  38   6.369  -1.483  -1.483
  327    H    ARG  39           H        ARG  39   4.420   2.165   2.165
  328    HA   ARG  39           HA       ARG  39   4.562   0.390   0.390
  329   1HB   ARG  39          1HB       ARG  39   5.625   2.623   2.623
  330   2HB   ARG  39          2HB       ARG  39   4.219   3.445   3.445
  331   1HG   ARG  39          1HG       ARG  39   2.891   2.973   2.973
  332   2HG   ARG  39          2HG       ARG  39   4.027   1.741   1.741
  333   1HD   ARG  39          1HD       ARG  39   5.535   4.223   4.223
  334   2HD   ARG  39          2HD       ARG  39   4.027   4.610   4.610
  335    HE   ARG  39           HE       ARG  39   4.888   2.211   2.211
  336   1HH1  ARG  39          1HH1      ARG  39   6.371   5.318   5.318
  337   2HH1  ARG  39          2HH1      ARG  39   7.404   5.131   5.131
  338   1HH2  ARG  39          1HH2      ARG  39   6.037   2.079   2.079
  339   2HH2  ARG  39          2HH2      ARG  39   7.228   3.371   3.371
  340    H    TYR  40           H        TYR  40   2.852  -0.759  -0.759
  341    HA   TYR  40           HA       TYR  40   0.220   0.335   0.335
  342   1HB   TYR  40          1HB       TYR  40  -0.951  -1.496  -1.496
  343   2HB   TYR  40          2HB       TYR  40  -0.382  -0.090  -0.090
  344    HD1  TYR  40           HD1      TYR  40   2.171  -2.671  -2.671
  345    HD2  TYR  40           HD2      TYR  40  -0.805  -1.577  -1.577
  346    HE1  TYR  40           HE1      TYR  40   3.271  -4.090  -4.090
  347    HE2  TYR  40           HE2      TYR  40   0.475  -2.774  -2.774
  348    HH   TYR  40           HH       TYR  40   2.591  -3.419  -3.419
  349    H    SER  41           H        SER  41   1.663  -0.442  -0.442
  350    HA   SER  41           HA       SER  41   1.264  -3.456  -3.456
  351   1HB   SER  41          1HB       SER  41   3.237  -2.259  -2.259
  352   2HB   SER  41          2HB       SER  41   3.432  -3.645  -3.645
  353    HG   SER  41           HG       SER  41   4.189  -1.027  -1.027
  354    HA   PRO  42           HA       PRO  42  -1.042  -2.759  -2.759
  355   1HB   PRO  42          1HB       PRO  42  -0.667  -5.085  -5.085
  356   2HB   PRO  42          2HB       PRO  42  -1.376  -5.086  -5.086
  357   1HG   PRO  42          1HG       PRO  42   1.611  -5.388  -5.388
  358   2HG   PRO  42          2HG       PRO  42   0.454  -6.566  -6.566
  359   1HD   PRO  42          1HD       PRO  42   2.272  -4.625  -4.625
  360   2HD   PRO  42          2HD       PRO  42   0.727  -5.109  -5.109
  361    H    LYS  43           H        LYS  43   0.135  -4.563  -4.563
  362    HA   LYS  43           HA       LYS  43   2.535  -2.873  -2.873
  363   1HB   LYS  43          1HB       LYS  43   1.325  -2.549  -2.549
  364   2HB   LYS  43          2HB       LYS  43   1.121  -1.370  -1.370
  365   1HG   LYS  43          1HG       LYS  43  -1.063  -2.560  -2.560
  366   2HG   LYS  43          2HG       LYS  43  -0.839  -3.688  -3.688
  367   1HD   LYS  43          1HD       LYS  43  -0.898  -1.588  -1.588
  368   2HD   LYS  43          2HD       LYS  43  -1.346  -0.646  -0.646
  369   1HE   LYS  43          1HE       LYS  43  -2.911  -3.048  -3.048
  370   2HE   LYS  43          2HE       LYS  43  -3.457  -1.365  -1.365
  371   1HZ   LYS  43          1HZ       LYS  43  -2.831  -1.865  -1.865
  372   2HZ   LYS  43          2HZ       LYS  43  -3.446  -3.348  -3.348
  373   3HZ   LYS  43          3HZ       LYS  43  -4.373  -1.954  -1.954

  Start of MODEL   11
    1   1H    MET   1          1H        MET   1 -22.407  -6.629  -6.629
    2   2H    MET   1          2H        MET   1 -23.804  -5.961  -5.961
    3   3H    MET   1          3H        MET   1 -23.437  -7.579  -7.579
    4    HA   MET   1           HA       MET   1 -22.466  -7.037  -7.037
    5   1HB   MET   1          1HB       MET   1 -22.509  -4.086  -4.086
    6   2HB   MET   1          2HB       MET   1 -22.259  -4.644  -4.644
    7   1HG   MET   1          1HG       MET   1 -24.642  -5.562  -5.562
    8   2HG   MET   1          2HG       MET   1 -24.882  -4.942  -4.942
    9   1HE   MET   1          1HE       MET   1 -26.008  -4.750  -4.750
   10   2HE   MET   1          2HE       MET   1 -26.757  -3.123  -3.123
   11   3HE   MET   1          3HE       MET   1 -25.335  -3.465  -3.465
   12    H    LYS   2           H        LYS   2 -20.543  -7.375  -7.375
   13    HA   LYS   2           HA       LYS   2 -18.302  -5.913  -5.913
   14   1HB   LYS   2          1HB       LYS   2 -18.640  -8.966  -8.966
   15   2HB   LYS   2          2HB       LYS   2 -17.019  -8.287  -8.287
   16   1HG   LYS   2          1HG       LYS   2 -17.865  -6.984  -6.984
   17   2HG   LYS   2          2HG       LYS   2 -19.182  -8.156  -8.156
   18   1HD   LYS   2          1HD       LYS   2 -16.231  -8.480  -8.480
   19   2HD   LYS   2          2HD       LYS   2 -17.632  -9.210  -9.210
   20   1HE   LYS   2          1HE       LYS   2 -16.683 -10.001 -10.001
   21   2HE   LYS   2          2HE       LYS   2 -16.280 -10.917 -10.917
   22   1HZ   LYS   2          1HZ       LYS   2 -19.019 -10.486 -10.486
   23   2HZ   LYS   2          2HZ       LYS   2 -18.687 -10.932 -10.932
   24   3HZ   LYS   2          3HZ       LYS   2 -18.214 -11.928 -11.928
   25    H    LEU   3           H        LEU   3 -19.502  -5.430  -5.430
   26    HA   LEU   3           HA       LEU   3 -17.056  -5.988  -5.988
   27   1HB   LEU   3          1HB       LEU   3 -20.023  -6.178  -6.178
   28   2HB   LEU   3          2HB       LEU   3 -19.016  -5.437  -5.437
   29    HG   LEU   3           HG       LEU   3 -17.613  -7.508  -7.508
   30   1HD1  LEU   3          1HD1      LEU   3 -19.486  -8.477  -8.477
   31   2HD1  LEU   3          2HD1      LEU   3 -18.639  -9.623  -9.623
   32   3HD1  LEU   3          3HD1      LEU   3 -17.707  -8.498  -8.498
   33   1HD2  LEU   3          1HD2      LEU   3 -19.937  -7.149  -7.149
   34   2HD2  LEU   3          2HD2      LEU   3 -19.168  -8.760  -8.760
   35   3HD2  LEU   3          3HD2      LEU   3 -20.529  -8.434  -8.434
   36    H    LEU   4           H        LEU   4 -16.776  -4.069  -4.069
   37    HA   LEU   4           HA       LEU   4 -17.353  -1.605  -1.605
   38   1HB   LEU   4          1HB       LEU   4 -16.321  -1.558  -1.558
   39   2HB   LEU   4          2HB       LEU   4 -17.008  -0.226  -0.226
   40    HG   LEU   4           HG       LEU   4 -19.195  -1.895  -1.895
   41   1HD1  LEU   4          1HD1      LEU   4 -17.742  -3.560  -3.560
   42   2HD1  LEU   4          2HD1      LEU   4 -17.956  -2.400  -2.400
   43   3HD1  LEU   4          3HD1      LEU   4 -19.374  -3.173  -3.173
   44   1HD2  LEU   4          1HD2      LEU   4 -18.267   0.338   0.338
   45   2HD2  LEU   4          2HD2      LEU   4 -19.722   0.248   0.248
   46   3HD2  LEU   4          3HD2      LEU   4 -19.660  -0.613  -0.613
   47    H    SER   5           H        SER   5 -15.889  -1.498  -1.498
   48    HA   SER   5           HA       SER   5 -12.990  -1.771  -1.771
   49   1HB   SER   5          1HB       SER   5 -13.244  -0.544  -0.544
   50   2HB   SER   5          2HB       SER   5 -12.660  -2.156  -2.156
   51    HG   SER   5           HG       SER   5 -14.896  -1.476  -1.476
   52    H    SER   6           H        SER   6 -11.455  -0.112  -0.112
   53    HA   SER   6           HA       SER   6 -12.230   2.710   2.710
   54   1HB   SER   6          1HB       SER   6 -12.727   1.344   1.344
   55   2HB   SER   6          2HB       SER   6 -11.213   2.183   2.183
   56    HG   SER   6           HG       SER   6 -12.640   3.984   3.984
   57    H    ILE   7           H        ILE   7 -10.299   3.698   3.698
   58    HA   ILE   7           HA       ILE   7  -7.814   2.758   2.758
   59    HB   ILE   7           HB       ILE   7  -8.735   5.349   5.349
   60   1HG1  ILE   7          1HG1      ILE   7  -5.871   4.525   4.525
   61   2HG1  ILE   7          2HG1      ILE   7  -7.222   4.804   4.804
   62   1HG2  ILE   7          1HG2      ILE   7  -7.485   4.806   4.806
   63   2HG2  ILE   7          2HG2      ILE   7  -6.107   5.423   5.423
   64   3HG2  ILE   7          3HG2      ILE   7  -7.564   6.434   6.434
   65   1HD1  ILE   7          1HD1      ILE   7  -6.319   7.139   7.139
   66   2HD1  ILE   7          2HD1      ILE   7  -5.486   6.756   6.756
   67   3HD1  ILE   7          3HD1      ILE   7  -7.212   7.155   7.155
   68    H    GLU   8           H        GLU   8  -9.193   1.425   1.425
   69    HA   GLU   8           HA       GLU   8  -7.441   1.471   1.471
   70   1HB   GLU   8          1HB       GLU   8  -9.617  -0.116  -0.116
   71   2HB   GLU   8          2HB       GLU   8  -8.319  -1.260  -1.260
   72   1HG   GLU   8          1HG       GLU   8 -10.084   0.016   0.016
   73   2HG   GLU   8          2HG       GLU   8  -9.094  -1.412  -1.412
   74    H    GLN   9           H        GLN   9  -7.317  -1.396  -1.396
   75    HA   GLN   9           HA       GLN   9  -4.352  -1.353  -1.353
   76   1HB   GLN   9          1HB       GLN   9  -6.370  -3.323  -3.323
   77   2HB   GLN   9          2HB       GLN   9  -5.321  -3.274  -3.274
   78   1HG   GLN   9          1HG       GLN   9  -3.387  -3.377  -3.377
   79   2HG   GLN   9          2HG       GLN   9  -4.696  -4.191  -4.191
   80   1HE2  GLN   9          1HE2      GLN   9  -2.389  -6.230  -6.230
   81   2HE2  GLN   9          2HE2      GLN   9  -2.158  -4.424  -4.424
   82    H    ALA  10           H        ALA  10  -2.840  -0.899  -0.899
   83    HA   ALA  10           HA       ALA  10  -2.535  -0.153  -0.153
   84   1HB   ALA  10          1HB       ALA  10  -4.822   0.845   0.845
   85   2HB   ALA  10          2HB       ALA  10  -4.430   2.021   2.021
   86   3HB   ALA  10          3HB       ALA  10  -3.609   2.104   2.104
   87    H    CYS  11           H        CYS  11  -0.403   0.660   0.660
   88    HA   CYS  11           HA       CYS  11   0.513   1.102   1.102
   89   1HB   CYS  11          1HB       CYS  11   2.734   1.005   1.005
   90   2HB   CYS  11          2HB       CYS  11   1.753  -0.035  -0.035
   91    H    ASP  12           H        ASP  12   2.246   2.832   2.832
   92    HA   ASP  12           HA       ASP  12   0.760   5.333   5.333
   93   1HB   ASP  12          1HB       ASP  12   2.474   5.437   5.437
   94   2HB   ASP  12          2HB       ASP  12   3.447   4.275   4.275
   95    H    ILE  13           H        ILE  13   3.190   4.213   4.213
   96    HA   ILE  13           HA       ILE  13   3.703   6.893   6.893
   97    HB   ILE  13           HB       ILE  13   4.278   4.023   4.023
   98   1HG1  ILE  13          1HG1      ILE  13   5.838   4.757   4.757
   99   2HG1  ILE  13          2HG1      ILE  13   6.706   4.760   4.760
  100   1HG2  ILE  13          1HG2      ILE  13   3.915   5.473   5.473
  101   2HG2  ILE  13          2HG2      ILE  13   5.248   6.486   6.486
  102   3HG2  ILE  13          3HG2      ILE  13   5.539   4.764   4.764
  103   1HD1  ILE  13          1HD1      ILE  13   5.502   7.385   7.385
  104   2HD1  ILE  13          2HD1      ILE  13   7.115   6.825   6.825
  105   3HD1  ILE  13          3HD1      ILE  13   6.755   7.139   7.139
  106    H    CYS  14           H        CYS  14   1.277   4.544   4.544
  107    HA   CYS  14           HA       CYS  14   0.415   5.837   5.837
  108   1HB   CYS  14          1HB       CYS  14  -0.694   3.570   3.570
  109   2HB   CYS  14          2HB       CYS  14  -1.730   4.295   4.295
  110    H    ARG  15           H        ARG  15  -0.494   5.933   5.933
  111    HA   ARG  15           HA       ARG  15  -2.649   7.779   7.779
  112   1HB   ARG  15          1HB       ARG  15  -0.412   7.251   7.251
  113   2HB   ARG  15          2HB       ARG  15  -1.222   8.795   8.795
  114   1HG   ARG  15          1HG       ARG  15  -3.389   7.715   7.715
  115   2HG   ARG  15          2HG       ARG  15  -2.867   6.185   6.185
  116   1HD   ARG  15          1HD       ARG  15  -1.742   5.526   5.526
  117   2HD   ARG  15          2HD       ARG  15  -1.238   7.185   7.185
  118    HE   ARG  15           HE       ARG  15  -3.942   5.941   5.941
  119   1HH1  ARG  15          1HH1      ARG  15  -1.904   8.735   8.735
  120   2HH1  ARG  15          2HH1      ARG  15  -3.024   9.510   9.510
  121   1HH2  ARG  15          1HH2      ARG  15  -5.104   6.841   6.841
  122   2HH2  ARG  15          2HH2      ARG  15  -4.765   8.487   8.487
  123    H    LEU  16           H        LEU  16   0.794   8.642   8.642
  124    HA   LEU  16           HA       LEU  16   0.156  11.539  11.539
  125   1HB   LEU  16          1HB       LEU  16   2.807   9.976   9.976
  126   2HB   LEU  16          2HB       LEU  16   2.732  11.727  11.727
  127    HG   LEU  16           HG       LEU  16   1.359  10.691  10.691
  128   1HD1  LEU  16          1HD1      LEU  16   2.979   8.719   8.719
  129   2HD1  LEU  16          2HD1      LEU  16   4.331   9.848   9.848
  130   3HD1  LEU  16          3HD1      LEU  16   3.237   9.587   9.587
  131   1HD2  LEU  16          1HD2      LEU  16   2.312  13.025  13.025
  132   2HD2  LEU  16          2HD2      LEU  16   2.928  12.260  12.260
  133   3HD2  LEU  16          3HD2      LEU  16   3.950  12.347  12.347
  134    H    LYS  17           H        LYS  17   1.438   9.141   9.141
  135    HA   LYS  17           HA       LYS  17   1.963  11.234  11.234
  136   1HB   LYS  17          1HB       LYS  17   2.214   8.164   8.164
  137   2HB   LYS  17          2HB       LYS  17   2.369   8.990   8.990
  138   1HG   LYS  17          1HG       LYS  17   4.365  10.213  10.213
  139   2HG   LYS  17          2HG       LYS  17   4.045   9.883   9.883
  140   1HD   LYS  17          1HD       LYS  17   5.608   8.222   8.222
  141   2HD   LYS  17          2HD       LYS  17   4.326   7.301   7.301
  142   1HE   LYS  17          1HE       LYS  17   6.457   7.550   7.550
  143   2HE   LYS  17          2HE       LYS  17   4.992   8.134   8.134
  144   1HZ   LYS  17          1HZ       LYS  17   6.527  10.019  10.019
  145   2HZ   LYS  17          2HZ       LYS  17   7.094   9.627   9.627
  146   3HZ   LYS  17          3HZ       LYS  17   5.565  10.310  10.310
  147    H    LYS  18           H        LYS  18  -0.660   9.331   9.331
  148    HA   LYS  18           HA       LYS  18  -2.722   8.800   8.800
  149   1HB   LYS  18          1HB       LYS  18  -1.999  11.365  11.365
  150   2HB   LYS  18          2HB       LYS  18  -3.299  10.345  10.345
  151   1HG   LYS  18          1HG       LYS  18  -4.727  10.840  10.840
  152   2HG   LYS  18          2HG       LYS  18  -3.398  10.921  10.921
  153   1HD   LYS  18          1HD       LYS  18  -3.252  13.216  13.216
  154   2HD   LYS  18          2HD       LYS  18  -3.360  13.142  13.142
  155   1HE   LYS  18          1HE       LYS  18  -5.418  14.159  14.159
  156   2HE   LYS  18          2HE       LYS  18  -5.728  13.270  13.270
  157   1HZ   LYS  18          1HZ       LYS  18  -5.604  11.961  11.961
  158   2HZ   LYS  18          2HZ       LYS  18  -7.023  12.492  12.492
  159   3HZ   LYS  18          3HZ       LYS  18  -6.110  11.276  11.276
  160    H    LEU  19           H        LEU  19  -1.680   6.922   6.922
  161    HA   LEU  19           HA       LEU  19  -0.979   6.488   6.488
  162   1HB   LEU  19          1HB       LEU  19   0.614   5.838   5.838
  163   2HB   LEU  19          2HB       LEU  19   0.528   4.539   4.539
  164    HG   LEU  19           HG       LEU  19   1.989   5.541   5.541
  165   1HD1  LEU  19          1HD1      LEU  19   0.747   8.224   8.224
  166   2HD1  LEU  19          2HD1      LEU  19   2.262   8.176   8.176
  167   3HD1  LEU  19          3HD1      LEU  19   0.774   7.460   7.460
  168   1HD2  LEU  19          1HD2      LEU  19   2.673   6.188   6.188
  169   2HD2  LEU  19          2HD2      LEU  19   3.772   5.780   5.780
  170   3HD2  LEU  19          3HD2      LEU  19   3.285   7.466   7.466
  171    H    LYS  20           H        LYS  20  -1.421   4.502   4.502
  172    HA   LYS  20           HA       LYS  20  -3.572   2.973   2.973
  173   1HB   LYS  20          1HB       LYS  20  -2.281   1.863   1.863
  174   2HB   LYS  20          2HB       LYS  20  -3.969   1.826   1.826
  175   1HG   LYS  20          1HG       LYS  20  -4.334   4.152   4.152
  176   2HG   LYS  20          2HG       LYS  20  -2.608   4.507   4.507
  177   1HD   LYS  20          1HD       LYS  20  -2.601   4.034   4.034
  178   2HD   LYS  20          2HD       LYS  20  -3.086   2.359   2.359
  179   1HE   LYS  20          1HE       LYS  20  -4.882   3.259   3.259
  180   2HE   LYS  20          2HE       LYS  20  -5.552   3.210   3.210
  181   1HZ   LYS  20          1HZ       LYS  20  -4.616   5.578   5.578
  182   2HZ   LYS  20          2HZ       LYS  20  -4.534   5.550   5.550
  183   3HZ   LYS  20          3HZ       LYS  20  -6.014   5.335   5.335
  184    H    CYS  21           H        CYS  21  -3.472   1.121   1.121
  185    HA   CYS  21           HA       CYS  21  -0.604   0.138   0.138
  186   1HB   CYS  21          1HB       CYS  21  -2.107   1.400   1.400
  187   2HB   CYS  21          2HB       CYS  21  -2.919  -0.163  -0.163
  188    H    SER  22           H        SER  22  -0.827  -1.226  -1.226
  189    HA   SER  22           HA       SER  22  -2.450  -3.492  -3.492
  190   1HB   SER  22          1HB       SER  22  -0.168  -4.829  -4.829
  191   2HB   SER  22          2HB       SER  22  -0.593  -3.534  -3.534
  192    HG   SER  22           HG       SER  22   0.781  -2.140  -2.140
  193    H    LYS  23           H        LYS  23  -0.255  -3.045  -3.045
  194    HA   LYS  23           HA       LYS  23  -0.929  -3.685  -3.685
  195   1HB   LYS  23          1HB       LYS  23  -2.968  -5.380  -5.380
  196   2HB   LYS  23          2HB       LYS  23  -2.707  -5.658  -5.658
  197   1HG   LYS  23          1HG       LYS  23  -3.749  -3.648  -3.648
  198   2HG   LYS  23          2HG       LYS  23  -2.991  -2.739  -2.739
  199   1HD   LYS  23          1HD       LYS  23  -4.757  -3.550  -3.550
  200   2HD   LYS  23          2HD       LYS  23  -5.420  -4.636  -4.636
  201   1HE   LYS  23          1HE       LYS  23  -5.129  -1.611  -1.611
  202   2HE   LYS  23          2HE       LYS  23  -6.563  -2.236  -2.236
  203   1HZ   LYS  23          1HZ       LYS  23  -5.575  -3.290  -3.290
  204   2HZ   LYS  23          2HZ       LYS  23  -6.795  -2.144  -2.144
  205   3HZ   LYS  23          3HZ       LYS  23  -7.012  -3.699  -3.699
  206    H    GLU  24           H        GLU  24   1.429  -4.625  -4.625
  207    HA   GLU  24           HA       GLU  24   1.414  -7.620  -7.620
  208   1HB   GLU  24          1HB       GLU  24   3.645  -7.462  -7.462
  209   2HB   GLU  24          2HB       GLU  24   2.085  -7.423  -7.423
  210   1HG   GLU  24          1HG       GLU  24   2.317  -5.146  -5.146
  211   2HG   GLU  24          2HG       GLU  24   3.467  -4.752  -4.752
  212    H    LYS  25           H        LYS  25   3.496  -8.466  -8.466
  213    HA   LYS  25           HA       LYS  25   4.266  -6.706  -6.706
  214   1HB   LYS  25          1HB       LYS  25   3.807  -9.756  -9.756
  215   2HB   LYS  25          2HB       LYS  25   4.100  -8.680  -8.680
  216   1HG   LYS  25          1HG       LYS  25   1.568  -9.577  -9.577
  217   2HG   LYS  25          2HG       LYS  25   1.862  -8.378  -8.378
  218   1HD   LYS  25          1HD       LYS  25   0.860  -6.784  -6.784
  219   2HD   LYS  25          2HD       LYS  25   1.955  -7.072  -7.072
  220   1HE   LYS  25          1HE       LYS  25   0.009  -7.876  -7.876
  221   2HE   LYS  25          2HE       LYS  25   0.461  -9.383  -9.383
  222   1HZ   LYS  25          1HZ       LYS  25  -1.197  -7.355  -7.355
  223   2HZ   LYS  25          2HZ       LYS  25  -1.875  -8.509  -8.509
  224   3HZ   LYS  25          3HZ       LYS  25  -1.023  -8.992  -8.992
  225    HA   PRO  26           HA       PRO  26   5.582  -6.498  -6.498
  226   1HB   PRO  26          1HB       PRO  26   7.735  -4.798  -4.798
  227   2HB   PRO  26          2HB       PRO  26   7.784  -6.542  -6.542
  228   1HG   PRO  26          1HG       PRO  26   8.598  -5.725  -5.725
  229   2HG   PRO  26          2HG       PRO  26   9.637  -6.399  -6.399
  230   1HD   PRO  26          1HD       PRO  26   8.461  -7.860  -7.860
  231   2HD   PRO  26          2HD       PRO  26   8.324  -8.451  -8.451
  232    H    LYS  27           H        LYS  27   7.255  -5.162  -5.162
  233    HA   LYS  27           HA       LYS  27   5.642  -2.608  -2.608
  234   1HB   LYS  27          1HB       LYS  27   8.063  -2.900  -2.900
  235   2HB   LYS  27          2HB       LYS  27   7.388  -1.421  -1.421
  236   1HG   LYS  27          1HG       LYS  27   8.427  -1.734  -1.734
  237   2HG   LYS  27          2HG       LYS  27   8.394  -3.492  -3.492
  238   1HD   LYS  27          1HD       LYS  27  10.342  -1.484  -1.484
  239   2HD   LYS  27          2HD       LYS  27  10.704  -2.741  -2.741
  240   1HE   LYS  27          1HE       LYS  27   9.407  -3.814  -3.814
  241   2HE   LYS  27          2HE       LYS  27  10.994  -3.084  -3.084
  242   1HZ   LYS  27          1HZ       LYS  27  11.375  -4.500  -4.500
  243   2HZ   LYS  27          2HZ       LYS  27  10.340  -5.492  -5.492
  244   3HZ   LYS  27          3HZ       LYS  27  11.799  -4.994  -4.994
  245    H    CYS  28           H        CYS  28   4.317  -1.825  -1.825
  246    HA   CYS  28           HA       CYS  28   3.351  -3.541  -3.541
  247   1HB   CYS  28          1HB       CYS  28   2.823  -1.213  -1.213
  248   2HB   CYS  28          2HB       CYS  28   1.970  -1.637  -1.637
  249    H    ALA  29           H        ALA  29   3.517  -2.725  -2.725
  250    HA   ALA  29           HA       ALA  29   6.200  -3.123  -3.123
  251   1HB   ALA  29          1HB       ALA  29   4.038  -3.247  -3.247
  252   2HB   ALA  29          2HB       ALA  29   3.819  -1.489  -1.489
  253   3HB   ALA  29          3HB       ALA  29   5.186  -2.134  -2.134
  254    H    LYS  30           H        LYS  30   4.407  -0.223  -0.223
  255    HA   LYS  30           HA       LYS  30   6.203   1.824   1.824
  256   1HB   LYS  30          1HB       LYS  30   3.898   1.557   1.557
  257   2HB   LYS  30          2HB       LYS  30   5.106   2.127   2.127
  258   1HG   LYS  30          1HG       LYS  30   3.513   3.771   3.771
  259   2HG   LYS  30          2HG       LYS  30   4.961   4.291   4.291
  260   1HD   LYS  30          1HD       LYS  30   6.145   4.526   4.526
  261   2HD   LYS  30          2HD       LYS  30   5.473   3.050   3.050
  262   1HE   LYS  30          1HE       LYS  30   3.145   4.532   4.532
  263   2HE   LYS  30          2HE       LYS  30   4.293   5.876   5.876
  264   1HZ   LYS  30          1HZ       LYS  30   4.823   3.631   3.631
  265   2HZ   LYS  30          2HZ       LYS  30   3.441   4.531   4.531
  266   3HZ   LYS  30          3HZ       LYS  30   4.943   5.286   5.286
  267    H    CYS  31           H        CYS  31   6.107   0.782   0.782
  268    HA   CYS  31           HA       CYS  31   8.479   2.327   2.327
  269   1HB   CYS  31          1HB       CYS  31   7.340  -0.113  -0.113
  270   2HB   CYS  31          2HB       CYS  31   8.402   1.115   1.115
  271    H    LEU  32           H        LEU  32   8.101  -0.991  -0.991
  272    HA   LEU  32           HA       LEU  32  10.922  -1.717  -1.717
  273   1HB   LEU  32          1HB       LEU  32   9.022  -3.403  -3.403
  274   2HB   LEU  32          2HB       LEU  32   8.972  -2.860  -2.860
  275    HG   LEU  32           HG       LEU  32  11.480  -4.151  -4.151
  276   1HD1  LEU  32          1HD1      LEU  32   9.536  -5.723  -5.723
  277   2HD1  LEU  32          2HD1      LEU  32   9.156  -5.573  -5.573
  278   3HD1  LEU  32          3HD1      LEU  32  10.684  -6.323  -6.323
  279   1HD2  LEU  32          1HD2      LEU  32  10.555  -3.803  -3.803
  280   2HD2  LEU  32          2HD2      LEU  32  11.923  -2.984  -2.984
  281   3HD2  LEU  32          3HD2      LEU  32  11.991  -4.728  -4.728
  282    H    LYS  33           H        LYS  33   9.289  -0.179  -0.179
  283    HA   LYS  33           HA       LYS  33  11.602  -0.374  -0.374
  284   1HB   LYS  33          1HB       LYS  33   9.141   1.516   1.516
  285   2HB   LYS  33          2HB       LYS  33  10.360   1.666   1.666
  286   1HG   LYS  33          1HG       LYS  33   9.531  -1.139  -1.139
  287   2HG   LYS  33          2HG       LYS  33   8.064  -0.174  -0.174
  288   1HD   LYS  33          1HD       LYS  33   8.170   0.264   0.264
  289   2HD   LYS  33          2HD       LYS  33   9.784   0.983   0.983
  290   1HE   LYS  33          1HE       LYS  33  10.125  -1.897  -1.897
  291   2HE   LYS  33          2HE       LYS  33   9.097  -1.680  -1.680
  292   1HZ   LYS  33          1HZ       LYS  33  11.623  -0.173  -0.173
  293   2HZ   LYS  33          2HZ       LYS  33  11.491  -1.573  -1.573
  294   3HZ   LYS  33          3HZ       LYS  33  10.677  -0.177  -0.177
  295    H    ASN  34           H        ASN  34  10.616   1.662   1.662
  296    HA   ASN  34           HA       ASN  34  12.761   3.705   3.705
  297   1HB   ASN  34          1HB       ASN  34  10.163   3.979   3.979
  298   2HB   ASN  34          2HB       ASN  34  11.218   5.314   5.314
  299   1HD2  ASN  34          1HD2      ASN  34   9.367   5.823   5.823
  300   2HD2  ASN  34          2HD2      ASN  34  10.305   6.545   6.545
  301    H    ASN  35           H        ASN  35  12.601   1.176   1.176
  302    HA   ASN  35           HA       ASN  35  13.198   0.751   0.751
  303   1HB   ASN  35          1HB       ASN  35  15.456   1.104   1.104
  304   2HB   ASN  35          2HB       ASN  35  15.214   2.815   2.815
  305   1HD2  ASN  35          1HD2      ASN  35  15.605   2.372   2.372
  306   2HD2  ASN  35          2HD2      ASN  35  14.234   1.474   1.474
  307    H    TRP  36           H        TRP  36  11.202   1.438   1.438
  308    HA   TRP  36           HA       TRP  36  11.311   4.063   4.063
  309   1HB   TRP  36          1HB       TRP  36   9.035   2.835   2.835
  310   2HB   TRP  36          2HB       TRP  36   8.670   3.993   3.993
  311    HD1  TRP  36           HD1      TRP  36  11.659   5.603   5.603
  312    HE1  TRP  36           HE1      TRP  36  11.480   7.442   7.442
  313    HE3  TRP  36           HE3      TRP  36   7.332   3.855   3.855
  314    HZ2  TRP  36           HZ2      TRP  36   9.539   7.942   7.942
  315    HZ3  TRP  36           HZ3      TRP  36   6.376   5.031   5.031
  316    HH2  TRP  36           HH2      TRP  36   7.489   7.008   7.008
  317    H    GLU  37           H        GLU  37   9.434   4.058   4.058
  318    HA   GLU  37           HA       GLU  37   9.794   1.416   1.416
  319   1HB   GLU  37          1HB       GLU  37  10.694   3.655   3.655
  320   2HB   GLU  37          2HB       GLU  37   9.044   4.203   4.203
  321   1HG   GLU  37          1HG       GLU  37   8.527   2.490   2.490
  322   2HG   GLU  37          2HG       GLU  37  10.010   1.620   1.620
  323    H    CYS  38           H        CYS  38   8.077   0.999   0.999
  324    HA   CYS  38           HA       CYS  38   5.354   1.539   1.539
  325   1HB   CYS  38          1HB       CYS  38   6.497  -0.253  -0.253
  326   2HB   CYS  38          2HB       CYS  38   6.497  -1.361  -1.361
  327    H    ARG  39           H        ARG  39   4.731   2.225   2.225
  328    HA   ARG  39           HA       ARG  39   4.622   0.135   0.135
  329   1HB   ARG  39          1HB       ARG  39   4.503   3.154   3.154
  330   2HB   ARG  39          2HB       ARG  39   3.450   2.417   2.417
  331   1HG   ARG  39          1HG       ARG  39   6.274   1.281   1.281
  332   2HG   ARG  39          2HG       ARG  39   6.197   2.991   2.991
  333   1HD   ARG  39          1HD       ARG  39   4.688   2.512   2.512
  334   2HD   ARG  39          2HD       ARG  39   4.540   0.807   0.807
  335    HE   ARG  39           HE       ARG  39   7.212   2.118   2.118
  336   1HH1  ARG  39          1HH1      ARG  39   5.086  -0.608  -0.608
  337   2HH1  ARG  39          2HH1      ARG  39   6.327  -1.551  -1.551
  338   1HH2  ARG  39          1HH2      ARG  39   8.498   1.039   1.039
  339   2HH2  ARG  39          2HH2      ARG  39   8.183  -0.660  -0.660
  340    H    TYR  40           H        TYR  40   3.130  -1.183  -1.183
  341    HA   TYR  40           HA       TYR  40   0.335  -0.355  -0.355
  342   1HB   TYR  40          1HB       TYR  40   1.573  -3.139  -3.139
  343   2HB   TYR  40          2HB       TYR  40  -0.137  -2.937  -2.937
  344    HD1  TYR  40           HD1      TYR  40  -0.439  -1.314  -1.314
  345    HD2  TYR  40           HD2      TYR  40   2.598  -4.209  -4.209
  346    HE1  TYR  40           HE1      TYR  40  -0.386  -2.039  -2.039
  347    HE2  TYR  40           HE2      TYR  40   2.622  -4.940  -4.940
  348    HH   TYR  40           HH       TYR  40   0.111  -3.919  -3.919
  349    H    SER  41           H        SER  41   2.285  -1.253  -1.253
  350    HA   SER  41           HA       SER  41   1.764  -1.569  -1.569
  351   1HB   SER  41          1HB       SER  41  -0.585   0.334   0.334
  352   2HB   SER  41          2HB       SER  41   0.053  -0.001  -0.001
  353    HG   SER  41           HG       SER  41   0.800   1.905   1.905
  354    HA   PRO  42           HA       PRO  42  -1.431  -4.862  -4.862
  355   1HB   PRO  42          1HB       PRO  42   0.240  -6.914  -6.914
  356   2HB   PRO  42          2HB       PRO  42   0.162  -6.270  -6.270
  357   1HG   PRO  42          1HG       PRO  42   2.093  -5.360  -5.360
  358   2HG   PRO  42          2HG       PRO  42   2.420  -6.079  -6.079
  359   1HD   PRO  42          1HD       PRO  42   2.395  -3.417  -3.417
  360   2HD   PRO  42          2HD       PRO  42   1.629  -3.956  -3.956
  361    H    LYS  43           H        LYS  43   1.033  -5.166  -5.166
  362    HA   LYS  43           HA       LYS  43  -0.738  -4.292  -4.292
  363   1HB   LYS  43          1HB       LYS  43  -1.125  -6.560  -6.560
  364   2HB   LYS  43          2HB       LYS  43  -2.130  -6.256  -6.256
  365   1HG   LYS  43          1HG       LYS  43  -1.406  -8.262  -8.262
  366   2HG   LYS  43          2HG       LYS  43   0.209  -7.579  -7.579
  367   1HD   LYS  43          1HD       LYS  43   0.908  -8.552  -8.552
  368   2HD   LYS  43          2HD       LYS  43  -0.764  -8.806  -8.806
  369   1HE   LYS  43          1HE       LYS  43  -0.107 -11.004 -11.004
  370   2HE   LYS  43          2HE       LYS  43  -1.067 -10.373 -10.373
  371   1HZ   LYS  43          1HZ       LYS  43   1.847  -9.880  -9.880
  372   2HZ   LYS  43          2HZ       LYS  43   1.239 -11.346 -11.346
  373   3HZ   LYS  43          3HZ       LYS  43   0.807  -9.911  -9.911

  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -22.199  -8.856  -8.856
    2   2H    MET   1          2H        MET   1 -22.609 -10.469 -10.469
    3   3H    MET   1          3H        MET   1 -21.129 -10.073 -10.073
    4    HA   MET   1           HA       MET   1 -20.357 -10.429 -10.429
    5   1HB   MET   1          1HB       MET   1 -22.021  -9.729  -9.729
    6   2HB   MET   1          2HB       MET   1 -22.143 -11.289 -11.289
    7   1HG   MET   1          1HG       MET   1 -24.238 -10.841 -10.841
    8   2HG   MET   1          2HG       MET   1 -23.817  -9.164  -9.164
    9   1HE   MET   1          1HE       MET   1 -26.439  -9.572  -9.572
   10   2HE   MET   1          2HE       MET   1 -26.040  -7.857  -7.857
   11   3HE   MET   1          3HE       MET   1 -26.957  -8.811  -8.811
   12    H    LYS   2           H        LYS   2 -19.064  -9.232  -9.232
   13    HA   LYS   2           HA       LYS   2 -17.920  -7.230  -7.230
   14   1HB   LYS   2          1HB       LYS   2 -20.276  -6.863  -6.863
   15   2HB   LYS   2          2HB       LYS   2 -20.647  -5.779  -5.779
   16   1HG   LYS   2          1HG       LYS   2 -19.330  -4.074  -4.074
   17   2HG   LYS   2          2HG       LYS   2 -17.971  -5.156  -5.156
   18   1HD   LYS   2          1HD       LYS   2 -18.907  -5.784  -5.784
   19   2HD   LYS   2          2HD       LYS   2 -20.468  -5.031  -5.031
   20   1HE   LYS   2          1HE       LYS   2 -19.299  -3.376  -3.376
   21   2HE   LYS   2          2HE       LYS   2 -19.207  -2.756  -2.756
   22   1HZ   LYS   2          1HZ       LYS   2 -17.022  -3.962  -3.962
   23   2HZ   LYS   2          2HZ       LYS   2 -17.094  -4.216  -4.216
   24   3HZ   LYS   2          3HZ       LYS   2 -17.051  -2.650  -2.650
   25    H    LEU   3           H        LEU   3 -16.774  -7.223  -7.223
   26    HA   LEU   3           HA       LEU   3 -15.733  -5.894  -5.894
   27   1HB   LEU   3          1HB       LEU   3 -17.758  -3.955  -3.955
   28   2HB   LEU   3          2HB       LEU   3 -17.283  -3.613  -3.613
   29    HG   LEU   3           HG       LEU   3 -16.017  -2.629  -2.629
   30   1HD1  LEU   3          1HD1      LEU   3 -15.751  -2.151  -2.151
   31   2HD1  LEU   3          2HD1      LEU   3 -14.344  -3.236  -3.236
   32   3HD1  LEU   3          3HD1      LEU   3 -14.390  -1.755  -1.755
   33   1HD2  LEU   3          1HD2      LEU   3 -15.137  -5.197  -5.197
   34   2HD2  LEU   3          2HD2      LEU   3 -14.102  -3.792  -3.792
   35   3HD2  LEU   3          3HD2      LEU   3 -13.900  -4.658  -4.658
   36    H    LEU   4           H        LEU   4 -15.613  -6.030  -6.030
   37    HA   LEU   4           HA       LEU   4 -18.219  -6.765  -6.765
   38   1HB   LEU   4          1HB       LEU   4 -15.938  -7.821  -7.821
   39   2HB   LEU   4          2HB       LEU   4 -17.249  -8.707  -8.707
   40    HG   LEU   4           HG       LEU   4 -14.717  -7.839  -7.839
   41   1HD1  LEU   4          1HD1      LEU   4 -15.285 -10.259 -10.259
   42   2HD1  LEU   4          2HD1      LEU   4 -14.307 -10.503 -10.503
   43   3HD1  LEU   4          3HD1      LEU   4 -13.770  -9.348  -9.348
   44   1HD2  LEU   4          1HD2      LEU   4 -16.742  -8.409  -8.409
   45   2HD2  LEU   4          2HD2      LEU   4 -15.383  -9.509  -9.509
   46   3HD2  LEU   4          3HD2      LEU   4 -16.780 -10.037 -10.037
   47    H    SER   5           H        SER   5 -18.891  -5.282  -5.282
   48    HA   SER   5           HA       SER   5 -18.872  -3.361  -3.361
   49   1HB   SER   5          1HB       SER   5 -17.109  -5.334  -5.334
   50   2HB   SER   5          2HB       SER   5 -16.391  -3.759  -3.759
   51    HG   SER   5           HG       SER   5 -18.061  -3.208  -3.208
   52    H    SER   6           H        SER   6 -17.158  -1.715  -1.715
   53    HA   SER   6           HA       SER   6 -15.782  -0.636  -0.636
   54   1HB   SER   6          1HB       SER   6 -16.484   1.698   1.698
   55   2HB   SER   6          2HB       SER   6 -17.779   0.717   0.717
   56    HG   SER   6           HG       SER   6 -17.164   1.272   1.272
   57    H    ILE   7           H        ILE   7 -13.766  -0.784  -0.784
   58    HA   ILE   7           HA       ILE   7 -12.022   0.555   0.555
   59    HB   ILE   7           HB       ILE   7 -13.459  -1.221  -1.221
   60   1HG1  ILE   7          1HG1      ILE   7 -13.076   1.322   1.322
   61   2HG1  ILE   7          2HG1      ILE   7 -12.811   0.317   0.317
   62   1HG2  ILE   7          1HG2      ILE   7 -10.354  -1.391  -1.391
   63   2HG2  ILE   7          2HG2      ILE   7 -11.352  -1.847  -1.847
   64   3HG2  ILE   7          3HG2      ILE   7 -11.492  -2.744  -2.744
   65   1HD1  ILE   7          1HD1      ILE   7 -10.310   0.856   0.856
   66   2HD1  ILE   7          2HD1      ILE   7 -11.015   2.226   2.226
   67   3HD1  ILE   7          3HD1      ILE   7 -10.531   0.746   0.746
   68    H    GLU   8           H        GLU   8  -9.895  -0.222  -0.222
   69    HA   GLU   8           HA       GLU   8  -9.361  -2.960  -2.960
   70   1HB   GLU   8          1HB       GLU   8  -9.097  -2.486  -2.486
   71   2HB   GLU   8          2HB       GLU   8 -10.752  -2.236  -2.236
   72   1HG   GLU   8          1HG       GLU   8  -8.781   0.136   0.136
   73   2HG   GLU   8          2HG       GLU   8  -9.646  -0.486  -0.486
   74    H    GLN   9           H        GLN   9  -7.415  -3.369  -3.369
   75    HA   GLN   9           HA       GLN   9  -5.559  -1.561  -1.561
   76   1HB   GLN   9          1HB       GLN   9  -5.544  -4.277  -4.277
   77   2HB   GLN   9          2HB       GLN   9  -4.037  -3.474  -3.474
   78   1HG   GLN   9          1HG       GLN   9  -3.247  -4.175  -4.175
   79   2HG   GLN   9          2HG       GLN   9  -4.177  -2.864  -2.864
   80   1HE2  GLN   9          1HE2      GLN   9  -6.285  -5.178  -5.178
   81   2HE2  GLN   9          2HE2      GLN   9  -5.892  -3.415  -3.415
   82    H    ALA  10           H        ALA  10  -3.715  -0.557  -0.557
   83    HA   ALA  10           HA       ALA  10  -2.693  -0.492  -0.492
   84   1HB   ALA  10          1HB       ALA  10  -4.829   0.684   0.684
   85   2HB   ALA  10          2HB       ALA  10  -4.525   1.932   1.932
   86   3HB   ALA  10          3HB       ALA  10  -3.471   1.808   1.808
   87    H    CYS  11           H        CYS  11  -0.719   0.680   0.680
   88    HA   CYS  11           HA       CYS  11   0.350   1.047   1.047
   89   1HB   CYS  11          1HB       CYS  11   2.538   1.140   1.140
   90   2HB   CYS  11          2HB       CYS  11   1.590  -0.143  -0.143
   91    H    ASP  12           H        ASP  12   1.965   2.785   2.785
   92    HA   ASP  12           HA       ASP  12   0.405   5.275   5.275
   93   1HB   ASP  12          1HB       ASP  12   2.419   4.288   4.288
   94   2HB   ASP  12          2HB       ASP  12   3.408   5.299   5.299
   95    H    ILE  13           H        ILE  13   3.015   4.114   4.114
   96    HA   ILE  13           HA       ILE  13   3.702   6.747   6.747
   97    HB   ILE  13           HB       ILE  13   4.247   3.854   3.854
   98   1HG1  ILE  13          1HG1      ILE  13   5.945   4.666   4.666
   99   2HG1  ILE  13          2HG1      ILE  13   6.683   4.793   4.793
  100   1HG2  ILE  13          1HG2      ILE  13   3.707   5.067   5.067
  101   2HG2  ILE  13          2HG2      ILE  13   5.127   6.094   6.094
  102   3HG2  ILE  13          3HG2      ILE  13   5.345   4.376   4.376
  103   1HD1  ILE  13          1HD1      ILE  13   6.007   7.284   7.284
  104   2HD1  ILE  13          2HD1      ILE  13   5.555   7.139   7.139
  105   3HD1  ILE  13          3HD1      ILE  13   7.241   6.861   6.861
  106    H    CYS  14           H        CYS  14   1.274   4.443   4.443
  107    HA   CYS  14           HA       CYS  14   0.663   5.844   5.844
  108   1HB   CYS  14          1HB       CYS  14  -0.606   3.481   3.481
  109   2HB   CYS  14          2HB       CYS  14  -1.475   4.239   4.239
  110    H    ARG  15           H        ARG  15  -0.606   5.769   5.769
  111    HA   ARG  15           HA       ARG  15  -2.765   7.587   7.587
  112   1HB   ARG  15          1HB       ARG  15  -0.844   6.843   6.843
  113   2HB   ARG  15          2HB       ARG  15  -1.348   8.515   8.515
  114   1HG   ARG  15          1HG       ARG  15  -3.004   7.347   7.347
  115   2HG   ARG  15          2HG       ARG  15  -3.840   7.564   7.564
  116   1HD   ARG  15          1HD       ARG  15  -2.414   5.105   5.105
  117   2HD   ARG  15          2HD       ARG  15  -2.962   5.065   5.065
  118    HE   ARG  15           HE       ARG  15  -4.762   5.460   5.460
  119   1HH1  ARG  15          1HH1      ARG  15  -4.436   4.626   4.626
  120   2HH1  ARG  15          2HH1      ARG  15  -6.191   4.066   4.066
  121   1HH2  ARG  15          1HH2      ARG  15  -6.648   4.838   4.838
  122   2HH2  ARG  15          2HH2      ARG  15  -7.398   4.178   4.178
  123    H    LEU  16           H        LEU  16   0.625   8.493   8.493
  124    HA   LEU  16           HA       LEU  16  -0.015  11.378  11.378
  125   1HB   LEU  16          1HB       LEU  16   2.623   9.786   9.786
  126   2HB   LEU  16          2HB       LEU  16   2.608  11.537  11.537
  127    HG   LEU  16           HG       LEU  16   1.746   9.781   9.781
  128   1HD1  LEU  16          1HD1      LEU  16   4.220  10.066  10.066
  129   2HD1  LEU  16          2HD1      LEU  16   4.036  11.838  11.838
  130   3HD1  LEU  16          3HD1      LEU  16   3.673  10.898  10.898
  131   1HD2  LEU  16          1HD2      LEU  16   1.551  12.864  12.864
  132   2HD2  LEU  16          2HD2      LEU  16   0.201  11.723  11.723
  133   3HD2  LEU  16          3HD2      LEU  16   1.376  11.950  11.950
  134    H    LYS  17           H        LYS  17   1.545   9.163   9.163
  135    HA   LYS  17           HA       LYS  17   2.034  11.393  11.393
  136   1HB   LYS  17          1HB       LYS  17   2.327   8.318   8.318
  137   2HB   LYS  17          2HB       LYS  17   2.834   9.465   9.465
  138   1HG   LYS  17          1HG       LYS  17   3.960  10.069  10.069
  139   2HG   LYS  17          2HG       LYS  17   4.431   8.490   8.490
  140   1HD   LYS  17          1HD       LYS  17   4.809  11.216  11.216
  141   2HD   LYS  17          2HD       LYS  17   6.064  10.336  10.336
  142   1HE   LYS  17          1HE       LYS  17   5.427   8.279   8.279
  143   2HE   LYS  17          2HE       LYS  17   4.729   9.531   9.531
  144   1HZ   LYS  17          1HZ       LYS  17   6.992  10.721  10.721
  145   2HZ   LYS  17          2HZ       LYS  17   7.528   9.162   9.162
  146   3HZ   LYS  17          3HZ       LYS  17   6.876   9.522   9.522
  147    H    LYS  18           H        LYS  18  -0.512   9.302   9.302
  148    HA   LYS  18           HA       LYS  18  -2.504   8.727   8.727
  149   1HB   LYS  18          1HB       LYS  18  -1.873  11.407  11.407
  150   2HB   LYS  18          2HB       LYS  18  -3.197  10.384  10.384
  151   1HG   LYS  18          1HG       LYS  18  -4.192  10.443  10.443
  152   2HG   LYS  18          2HG       LYS  18  -2.854  11.465  11.465
  153   1HD   LYS  18          1HD       LYS  18  -4.575  13.024  13.024
  154   2HD   LYS  18          2HD       LYS  18  -3.746  13.092  13.092
  155   1HE   LYS  18          1HE       LYS  18  -6.388  12.718  12.718
  156   2HE   LYS  18          2HE       LYS  18  -5.406  11.746  11.746
  157   1HZ   LYS  18          1HZ       LYS  18  -5.814  10.712  10.712
  158   2HZ   LYS  18          2HZ       LYS  18  -7.096  10.634  10.634
  159   3HZ   LYS  18          3HZ       LYS  18  -5.635   9.886   9.886
  160    H    LEU  19           H        LEU  19  -1.280   6.966   6.966
  161    HA   LEU  19           HA       LEU  19  -0.580   6.816   6.816
  162   1HB   LEU  19          1HB       LEU  19   0.958   5.857   5.857
  163   2HB   LEU  19          2HB       LEU  19   1.069   4.892   4.892
  164    HG   LEU  19           HG       LEU  19   2.412   6.421   6.421
  165   1HD1  LEU  19          1HD1      LEU  19   0.800   8.345   8.345
  166   2HD1  LEU  19          2HD1      LEU  19   1.250   8.711   8.711
  167   3HD1  LEU  19          3HD1      LEU  19   2.444   8.909   8.909
  168   1HD2  LEU  19          1HD2      LEU  19   2.982   7.056   7.056
  169   2HD2  LEU  19          2HD2      LEU  19   3.724   5.773   5.773
  170   3HD2  LEU  19          3HD2      LEU  19   4.079   7.465   7.465
  171    H    LYS  20           H        LYS  20  -0.168   4.426   4.426
  172    HA   LYS  20           HA       LYS  20  -2.712   2.963   2.963
  173   1HB   LYS  20          1HB       LYS  20  -1.578   1.191   1.191
  174   2HB   LYS  20          2HB       LYS  20  -2.382   2.628   2.628
  175   1HG   LYS  20          1HG       LYS  20   0.489   3.207   3.207
  176   2HG   LYS  20          2HG       LYS  20   0.343   1.809   1.809
  177   1HD   LYS  20          1HD       LYS  20  -0.036   3.216   3.216
  178   2HD   LYS  20          2HD       LYS  20  -1.448   3.924   3.924
  179   1HE   LYS  20          1HE       LYS  20  -0.173   5.652   5.652
  180   2HE   LYS  20          2HE       LYS  20   1.351   4.756   4.756
  181   1HZ   LYS  20          1HZ       LYS  20   0.770   4.955   4.955
  182   2HZ   LYS  20          2HZ       LYS  20   0.027   6.359   6.359
  183   3HZ   LYS  20          3HZ       LYS  20   1.664   6.105   6.105
  184    H    CYS  21           H        CYS  21  -2.848   0.988   0.988
  185    HA   CYS  21           HA       CYS  21  -0.292   0.012   0.012
  186   1HB   CYS  21          1HB       CYS  21  -1.867   1.681   1.681
  187   2HB   CYS  21          2HB       CYS  21  -2.936   0.283   0.283
  188    H    SER  22           H        SER  22  -0.751  -1.410  -1.410
  189    HA   SER  22           HA       SER  22  -2.546  -3.563  -3.563
  190   1HB   SER  22          1HB       SER  22  -0.470  -5.098  -5.098
  191   2HB   SER  22          2HB       SER  22  -0.753  -3.747  -3.747
  192    HG   SER  22           HG       SER  22   1.224  -4.103  -4.103
  193    H    LYS  23           H        LYS  23  -0.286  -2.998  -2.998
  194    HA   LYS  23           HA       LYS  23  -0.818  -3.571  -3.571
  195   1HB   LYS  23          1HB       LYS  23  -2.852  -5.499  -5.499
  196   2HB   LYS  23          2HB       LYS  23  -2.581  -5.475  -5.475
  197   1HG   LYS  23          1HG       LYS  23  -3.886  -3.574  -3.574
  198   2HG   LYS  23          2HG       LYS  23  -3.005  -2.708  -2.708
  199   1HD   LYS  23          1HD       LYS  23  -4.488  -3.980  -3.980
  200   2HD   LYS  23          2HD       LYS  23  -5.391  -4.640  -4.640
  201   1HE   LYS  23          1HE       LYS  23  -5.449  -2.012  -2.012
  202   2HE   LYS  23          2HE       LYS  23  -5.251  -1.725  -1.725
  203   1HZ   LYS  23          1HZ       LYS  23  -7.123  -3.738  -3.738
  204   2HZ   LYS  23          2HZ       LYS  23  -7.537  -2.675  -2.675
  205   3HZ   LYS  23          3HZ       LYS  23  -7.404  -2.116  -2.116
  206    H    GLU  24           H        GLU  24   0.624  -5.445  -5.445
  207    HA   GLU  24           HA       GLU  24   1.431  -7.785  -7.785
  208   1HB   GLU  24          1HB       GLU  24   3.891  -7.165  -7.165
  209   2HB   GLU  24          2HB       GLU  24   2.643  -7.525  -7.525
  210   1HG   GLU  24          1HG       GLU  24   2.351  -5.069  -5.069
  211   2HG   GLU  24          2HG       GLU  24   3.509  -4.643  -4.643
  212    H    LYS  25           H        LYS  25   3.319  -8.344  -8.344
  213    HA   LYS  25           HA       LYS  25   3.696  -6.419  -6.419
  214   1HB   LYS  25          1HB       LYS  25   2.540  -9.289  -9.289
  215   2HB   LYS  25          2HB       LYS  25   3.051  -8.345  -8.345
  216   1HG   LYS  25          1HG       LYS  25   1.302  -6.562  -6.562
  217   2HG   LYS  25          2HG       LYS  25   0.809  -7.531  -7.531
  218   1HD   LYS  25          1HD       LYS  25   0.773  -9.063  -9.063
  219   2HD   LYS  25          2HD       LYS  25  -0.205  -7.584  -7.584
  220   1HE   LYS  25          1HE       LYS  25  -0.523  -9.113  -9.113
  221   2HE   LYS  25          2HE       LYS  25  -1.108  -9.986  -9.986
  222   1HZ   LYS  25          1HZ       LYS  25  -1.808  -7.149  -7.149
  223   2HZ   LYS  25          2HZ       LYS  25  -2.569  -8.200  -8.200
  224   3HZ   LYS  25          3HZ       LYS  25  -2.697  -8.451  -8.451
  225    HA   PRO  26           HA       PRO  26   4.594  -6.437  -6.437
  226   1HB   PRO  26          1HB       PRO  26   6.898  -5.083  -5.083
  227   2HB   PRO  26          2HB       PRO  26   6.514  -6.798  -6.798
  228   1HG   PRO  26          1HG       PRO  26   8.082  -6.175  -6.175
  229   2HG   PRO  26          2HG       PRO  26   8.644  -6.980  -6.980
  230   1HD   PRO  26          1HD       PRO  26   7.744  -8.267  -8.267
  231   2HD   PRO  26          2HD       PRO  26   7.124  -8.808  -8.808
  232    H    LYS  27           H        LYS  27   7.057  -5.434  -5.434
  233    HA   LYS  27           HA       LYS  27   5.707  -2.702  -2.702
  234   1HB   LYS  27          1HB       LYS  27   8.336  -3.591  -3.591
  235   2HB   LYS  27          2HB       LYS  27   7.728  -1.945  -1.945
  236   1HG   LYS  27          1HG       LYS  27   7.781  -2.759  -2.759
  237   2HG   LYS  27          2HG       LYS  27   9.197  -3.556  -3.556
  238   1HD   LYS  27          1HD       LYS  27   9.435  -0.960  -0.960
  239   2HD   LYS  27          2HD       LYS  27   8.602  -0.649  -0.649
  240   1HE   LYS  27          1HE       LYS  27  11.052  -0.649  -0.649
  241   2HE   LYS  27          2HE       LYS  27  10.342  -2.064  -2.064
  242   1HZ   LYS  27          1HZ       LYS  27  11.604  -2.091  -2.091
  243   2HZ   LYS  27          2HZ       LYS  27  12.312  -2.638  -2.638
  244   3HZ   LYS  27          3HZ       LYS  27  10.960  -3.422  -3.422
  245    H    CYS  28           H        CYS  28   4.487  -2.038  -2.038
  246    HA   CYS  28           HA       CYS  28   3.559  -3.799  -3.799
  247   1HB   CYS  28          1HB       CYS  28   2.918  -1.490  -1.490
  248   2HB   CYS  28          2HB       CYS  28   2.098  -1.983  -1.983
  249    H    ALA  29           H        ALA  29   3.678  -2.846  -2.846
  250    HA   ALA  29           HA       ALA  29   6.435  -3.210  -3.210
  251   1HB   ALA  29          1HB       ALA  29   4.324  -3.614  -3.614
  252   2HB   ALA  29          2HB       ALA  29   3.938  -1.878  -1.878
  253   3HB   ALA  29          3HB       ALA  29   5.379  -2.443  -2.443
  254    H    LYS  30           H        LYS  30   4.365  -0.450  -0.450
  255    HA   LYS  30           HA       LYS  30   5.955   1.740   1.740
  256   1HB   LYS  30          1HB       LYS  30   3.708   1.321   1.321
  257   2HB   LYS  30          2HB       LYS  30   4.877   1.858   1.858
  258   1HG   LYS  30          1HG       LYS  30   3.260   3.521   3.521
  259   2HG   LYS  30          2HG       LYS  30   4.562   4.052   4.052
  260   1HD   LYS  30          1HD       LYS  30   5.967   4.490   4.490
  261   2HD   LYS  30          2HD       LYS  30   5.449   3.054   3.054
  262   1HE   LYS  30          1HE       LYS  30   3.338   5.229   5.229
  263   2HE   LYS  30          2HE       LYS  30   4.646   5.608   5.608
  264   1HZ   LYS  30          1HZ       LYS  30   4.142   3.202   3.202
  265   2HZ   LYS  30          2HZ       LYS  30   2.638   3.474   3.474
  266   3HZ   LYS  30          3HZ       LYS  30   3.210   4.513   4.513
  267    H    CYS  31           H        CYS  31   6.059   0.636   0.636
  268    HA   CYS  31           HA       CYS  31   8.302   2.389   2.389
  269   1HB   CYS  31          1HB       CYS  31   7.382  -0.121  -0.121
  270   2HB   CYS  31          2HB       CYS  31   8.383   1.176   1.176
  271    H    LEU  32           H        LEU  32   8.176  -0.975  -0.975
  272    HA   LEU  32           HA       LEU  32  11.051  -1.450  -1.450
  273   1HB   LEU  32          1HB       LEU  32   9.351  -3.321  -3.321
  274   2HB   LEU  32          2HB       LEU  32   9.084  -2.838  -2.838
  275    HG   LEU  32           HG       LEU  32  10.559  -4.949  -4.949
  276   1HD1  LEU  32          1HD1      LEU  32  10.228  -3.926  -3.926
  277   2HD1  LEU  32          2HD1      LEU  32  11.688  -2.964  -2.964
  278   3HD1  LEU  32          3HD1      LEU  32  11.795  -4.745  -4.745
  279   1HD2  LEU  32          1HD2      LEU  32  12.106  -3.691  -3.691
  280   2HD2  LEU  32          2HD2      LEU  32  12.995  -4.502  -4.502
  281   3HD2  LEU  32          3HD2      LEU  32  12.715  -2.745  -2.745
  282    H    LYS  33           H        LYS  33   9.276  -0.050  -0.050
  283    HA   LYS  33           HA       LYS  33  11.590  -0.252  -0.252
  284   1HB   LYS  33          1HB       LYS  33   8.867   1.232   1.232
  285   2HB   LYS  33          2HB       LYS  33  10.067   1.375   1.375
  286   1HG   LYS  33          1HG       LYS  33   9.821  -1.477  -1.477
  287   2HG   LYS  33          2HG       LYS  33   8.176  -0.857  -0.857
  288   1HD   LYS  33          1HD       LYS  33   8.458   0.178   0.178
  289   2HD   LYS  33          2HD       LYS  33  10.114  -0.456  -0.456
  290   1HE   LYS  33          1HE       LYS  33   7.808  -2.387  -2.387
  291   2HE   LYS  33          2HE       LYS  33   8.089  -1.939  -1.939
  292   1HZ   LYS  33          1HZ       LYS  33  10.473  -2.550  -2.550
  293   2HZ   LYS  33          2HZ       LYS  33  10.042  -3.182  -3.182
  294   3HZ   LYS  33          3HZ       LYS  33   9.389  -3.832  -3.832
  295    H    ASN  34           H        ASN  34  10.394   2.001   2.001
  296    HA   ASN  34           HA       ASN  34  12.556   3.979   3.979
  297   1HB   ASN  34          1HB       ASN  34   9.781   4.269   4.269
  298   2HB   ASN  34          2HB       ASN  34  10.971   5.476   5.476
  299   1HD2  ASN  34          1HD2      ASN  34   8.939   6.044   6.044
  300   2HD2  ASN  34          2HD2      ASN  34   8.457   4.848   4.848
  301    H    ASN  35           H        ASN  35  12.484   1.520   1.520
  302    HA   ASN  35           HA       ASN  35  13.113   1.060   1.060
  303   1HB   ASN  35          1HB       ASN  35  15.227   1.667   1.667
  304   2HB   ASN  35          2HB       ASN  35  14.964   3.406   3.406
  305   1HD2  ASN  35          1HD2      ASN  35  17.276   1.876   1.876
  306   2HD2  ASN  35          2HD2      ASN  35  17.559   2.606   2.606
  307    H    TRP  36           H        TRP  36  11.188   1.584   1.584
  308    HA   TRP  36           HA       TRP  36  11.278   4.177   4.177
  309   1HB   TRP  36          1HB       TRP  36   8.936   2.913   2.913
  310   2HB   TRP  36          2HB       TRP  36   8.623   4.061   4.061
  311    HD1  TRP  36           HD1      TRP  36  11.461   5.799   5.799
  312    HE1  TRP  36           HE1      TRP  36  11.097   7.599   7.599
  313    HE3  TRP  36           HE3      TRP  36   7.104   3.848   3.848
  314    HZ2  TRP  36           HZ2      TRP  36   9.013   7.996   7.996
  315    HZ3  TRP  36           HZ3      TRP  36   6.061   4.870   4.870
  316    HH2  TRP  36           HH2      TRP  36   6.949   6.954   6.954
  317    H    GLU  37           H        GLU  37   9.476   4.049   4.049
  318    HA   GLU  37           HA       GLU  37   9.901   1.331   1.331
  319   1HB   GLU  37          1HB       GLU  37  10.722   3.764   3.764
  320   2HB   GLU  37          2HB       GLU  37   9.076   3.896   3.896
  321   1HG   GLU  37          1HG       GLU  37  10.600   1.357   1.357
  322   2HG   GLU  37          2HG       GLU  37  11.163   2.844   2.844
  323    H    CYS  38           H        CYS  38   8.100   0.940   0.940
  324    HA   CYS  38           HA       CYS  38   5.417   1.504   1.504
  325   1HB   CYS  38          1HB       CYS  38   6.456  -0.355  -0.355
  326   2HB   CYS  38          2HB       CYS  38   6.487  -1.419  -1.419
  327    H    ARG  39           H        ARG  39   4.500   2.163   2.163
  328    HA   ARG  39           HA       ARG  39   4.686   0.526   0.526
  329   1HB   ARG  39          1HB       ARG  39   4.548   3.361   3.361
  330   2HB   ARG  39          2HB       ARG  39   3.012   2.984   2.984
  331   1HG   ARG  39          1HG       ARG  39   4.032   2.998   2.998
  332   2HG   ARG  39          2HG       ARG  39   5.115   1.698   1.698
  333   1HD   ARG  39          1HD       ARG  39   6.857   3.197   3.197
  334   2HD   ARG  39          2HD       ARG  39   5.734   4.529   4.529
  335    HE   ARG  39           HE       ARG  39   5.596   3.692   3.692
  336   1HH1  ARG  39          1HH1      ARG  39   7.352   5.721   5.721
  337   2HH1  ARG  39          2HH1      ARG  39   7.917   6.839   6.839
  338   1HH2  ARG  39          1HH2      ARG  39   6.243   4.946   4.946
  339   2HH2  ARG  39          2HH2      ARG  39   7.318   6.423   6.423
  340    H    TYR  40           H        TYR  40   3.513  -1.190  -1.190
  341    HA   TYR  40           HA       TYR  40   0.509  -0.727  -0.727
  342   1HB   TYR  40          1HB       TYR  40   2.253  -3.307  -3.307
  343   2HB   TYR  40          2HB       TYR  40   0.517  -3.383  -3.383
  344    HD1  TYR  40           HD1      TYR  40  -0.109  -1.098  -1.098
  345    HD2  TYR  40           HD2      TYR  40   2.304  -4.656  -4.656
  346    HE1  TYR  40           HE1      TYR  40  -0.394  -1.287  -1.287
  347    HE2  TYR  40           HE2      TYR  40   2.222  -4.681  -4.681
  348    HH   TYR  40           HH       TYR  40   1.622  -2.366  -2.366
  349    H    SER  41           H        SER  41   2.390  -0.163  -0.163
  350    HA   SER  41           HA       SER  41   1.698  -2.361  -2.361
  351   1HB   SER  41          1HB       SER  41   3.929  -0.879  -0.879
  352   2HB   SER  41          2HB       SER  41   3.037   0.278   0.278
  353    HG   SER  41           HG       SER  41   3.392  -0.957  -0.957
  354    HA   PRO  42           HA       PRO  42  -1.890  -0.483  -0.483
  355   1HB   PRO  42          1HB       PRO  42  -2.137  -2.051  -2.051
  356   2HB   PRO  42          2HB       PRO  42  -2.251  -2.798  -2.798
  357   1HG   PRO  42          1HG       PRO  42   0.286  -2.561  -2.561
  358   2HG   PRO  42          2HG       PRO  42  -0.607  -4.075  -4.075
  359   1HD   PRO  42          1HD       PRO  42   1.572  -2.624  -2.624
  360   2HD   PRO  42          2HD       PRO  42   0.315  -3.445  -3.445
  361    H    LYS  43           H        LYS  43   1.120  -0.512  -0.512
  362    HA   LYS  43           HA       LYS  43   1.952   0.959   0.959
  363   1HB   LYS  43          1HB       LYS  43  -0.766   2.396   2.396
  364   2HB   LYS  43          2HB       LYS  43   0.831   3.058   3.058
  365   1HG   LYS  43          1HG       LYS  43   1.403   2.974   2.974
  366   2HG   LYS  43          2HG       LYS  43  -0.095   2.117   2.117
  367   1HD   LYS  43          1HD       LYS  43  -1.188   4.345   4.345
  368   2HD   LYS  43          2HD       LYS  43   0.397   5.044   5.044
  369   1HE   LYS  43          1HE       LYS  43  -0.741   5.429   5.429
  370   2HE   LYS  43          2HE       LYS  43   0.057   3.889   3.889
  371   1HZ   LYS  43          1HZ       LYS  43  -2.088   2.884   2.884
  372   2HZ   LYS  43          2HZ       LYS  43  -2.763   4.381   4.381
  373   3HZ   LYS  43          3HZ       LYS  43  -2.098   3.441   3.441

  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -26.821   7.477   7.477
    2   2H    MET   1          2H        MET   1 -26.648   8.447   8.447
    3   3H    MET   1          3H        MET   1 -26.707   6.774   6.774
    4    HA   MET   1           HA       MET   1 -24.625   6.423   6.423
    5   1HB   MET   1          1HB       MET   1 -25.014   8.473   8.473
    6   2HB   MET   1          2HB       MET   1 -23.852   9.185   9.185
    7   1HG   MET   1          1HG       MET   1 -22.530   6.836   6.836
    8   2HG   MET   1          2HG       MET   1 -23.507   6.753   6.753
    9   1HE   MET   1          1HE       MET   1 -21.030   8.248   8.248
   10   2HE   MET   1          2HE       MET   1 -19.855   7.906   7.906
   11   3HE   MET   1          3HE       MET   1 -20.228   9.598   9.598
   12    H    LYS   2           H        LYS   2 -23.648   6.293   6.293
   13    HA   LYS   2           HA       LYS   2 -23.893   8.549   8.549
   14   1HB   LYS   2          1HB       LYS   2 -24.068   5.903   5.903
   15   2HB   LYS   2          2HB       LYS   2 -22.311   5.929   5.929
   16   1HG   LYS   2          1HG       LYS   2 -22.554   6.325   6.325
   17   2HG   LYS   2          2HG       LYS   2 -22.698   8.003   8.003
   18   1HD   LYS   2          1HD       LYS   2 -25.149   7.889   7.889
   19   2HD   LYS   2          2HD       LYS   2 -25.120   6.120   6.120
   20   1HE   LYS   2          1HE       LYS   2 -23.313   7.387   7.387
   21   2HE   LYS   2          2HE       LYS   2 -24.975   7.970   7.970
   22   1HZ   LYS   2          1HZ       LYS   2 -25.522   5.439   5.439
   23   2HZ   LYS   2          2HZ       LYS   2 -23.951   5.233   5.233
   24   3HZ   LYS   2          3HZ       LYS   2 -25.083   6.045   6.045
   25    H    LEU   3           H        LEU   3 -22.175   9.461   9.461
   26    HA   LEU   3           HA       LEU   3 -19.733   9.736   9.736
   27   1HB   LEU   3          1HB       LEU   3 -20.893  11.336  11.336
   28   2HB   LEU   3          2HB       LEU   3 -19.194  11.519  11.519
   29    HG   LEU   3           HG       LEU   3 -19.675  12.476  12.476
   30   1HD1  LEU   3          1HD1      LEU   3 -21.708  10.835  10.835
   31   2HD1  LEU   3          2HD1      LEU   3 -22.700  12.085  12.085
   32   3HD1  LEU   3          3HD1      LEU   3 -21.816  12.456  12.456
   33   1HD2  LEU   3          1HD2      LEU   3 -20.788  13.653  13.653
   34   2HD2  LEU   3          2HD2      LEU   3 -20.064  14.479  14.479
   35   3HD2  LEU   3          3HD2      LEU   3 -21.813  14.121  14.121
   36    H    LEU   4           H        LEU   4 -20.306   7.349   7.349
   37    HA   LEU   4           HA       LEU   4 -17.602   7.040   7.040
   38   1HB   LEU   4          1HB       LEU   4 -18.167   6.826   6.826
   39   2HB   LEU   4          2HB       LEU   4 -18.564   8.439   8.439
   40    HG   LEU   4           HG       LEU   4 -21.033   7.627   7.627
   41   1HD1  LEU   4          1HD1      LEU   4 -19.718   5.130   5.130
   42   2HD1  LEU   4          2HD1      LEU   4 -21.032   5.610   5.610
   43   3HD1  LEU   4          3HD1      LEU   4 -21.362   5.365   5.365
   44   1HD2  LEU   4          1HD2      LEU   4 -20.177   9.110   9.110
   45   2HD2  LEU   4          2HD2      LEU   4 -21.495   8.019   8.019
   46   3HD2  LEU   4          3HD2      LEU   4 -19.831   7.634   7.634
   47    H    SER   5           H        SER   5 -17.019   5.062   5.062
   48    HA   SER   5           HA       SER   5 -18.884   2.804   2.804
   49   1HB   SER   5          1HB       SER   5 -18.387   1.970   1.970
   50   2HB   SER   5          2HB       SER   5 -19.666   3.153   3.153
   51    HG   SER   5           HG       SER   5 -18.254   4.768   4.768
   52    H    SER   6           H        SER   6 -16.671   3.519   3.519
   53    HA   SER   6           HA       SER   6 -15.017   2.149   2.149
   54   1HB   SER   6          1HB       SER   6 -16.440   0.224   0.224
   55   2HB   SER   6          2HB       SER   6 -14.923   0.071   0.071
   56    HG   SER   6           HG       SER   6 -14.402  -1.130  -1.130
   57    H    ILE   7           H        ILE   7 -12.958   0.724   0.724
   58    HA   ILE   7           HA       ILE   7 -11.203   1.563   1.563
   59    HB   ILE   7           HB       ILE   7  -9.945   3.654   3.654
   60   1HG1  ILE   7          1HG1      ILE   7 -12.736   4.303   4.303
   61   2HG1  ILE   7          2HG1      ILE   7 -11.170   4.538   4.538
   62   1HG2  ILE   7          1HG2      ILE   7 -11.549   3.253   3.253
   63   2HG2  ILE   7          2HG2      ILE   7 -12.231   4.726   4.726
   64   3HG2  ILE   7          3HG2      ILE   7 -10.489   4.651   4.651
   65   1HD1  ILE   7          1HD1      ILE   7 -12.108   6.257   6.257
   66   2HD1  ILE   7          2HD1      ILE   7 -12.166   6.722   6.722
   67   3HD1  ILE   7          3HD1      ILE   7 -10.594   6.448   6.448
   68    H    GLU   8           H        GLU   8  -9.085   0.963   0.963
   69    HA   GLU   8           HA       GLU   8  -8.455   0.524   0.524
   70   1HB   GLU   8          1HB       GLU   8  -8.364  -2.142  -2.142
   71   2HB   GLU   8          2HB       GLU   8  -9.341  -1.551  -1.551
   72   1HG   GLU   8          1HG       GLU   8 -10.835  -2.669  -2.669
   73   2HG   GLU   8          2HG       GLU   8 -11.218  -0.967  -0.967
   74    H    GLN   9           H        GLN   9  -7.496  -1.777  -1.777
   75    HA   GLN   9           HA       GLN   9  -4.702  -1.082  -1.082
   76   1HB   GLN   9          1HB       GLN   9  -6.162  -3.357  -3.357
   77   2HB   GLN   9          2HB       GLN   9  -4.959  -2.985  -2.985
   78   1HG   GLN   9          1HG       GLN   9  -3.221  -2.964  -2.964
   79   2HG   GLN   9          2HG       GLN   9  -4.483  -3.807  -3.807
   80   1HE2  GLN   9          1HE2      GLN   9  -3.695  -6.886  -6.886
   81   2HE2  GLN   9          2HE2      GLN   9  -5.061  -5.967  -5.967
   82    H    ALA  10           H        ALA  10  -3.369  -1.845  -1.845
   83    HA   ALA  10           HA       ALA  10  -2.479  -0.860  -0.860
   84   1HB   ALA  10          1HB       ALA  10  -4.682   0.049   0.049
   85   2HB   ALA  10          2HB       ALA  10  -4.546   1.410   1.410
   86   3HB   ALA  10          3HB       ALA  10  -3.431   1.283   1.283
   87    H    CYS  11           H        CYS  11  -0.690   0.589   0.589
   88    HA   CYS  11           HA       CYS  11   0.284   1.000   1.000
   89   1HB   CYS  11          1HB       CYS  11   2.527   1.200   1.200
   90   2HB   CYS  11          2HB       CYS  11   1.631  -0.127  -0.127
   91    H    ASP  12           H        ASP  12   1.864   2.713   2.713
   92    HA   ASP  12           HA       ASP  12   0.279   5.189   5.189
   93   1HB   ASP  12          1HB       ASP  12   2.168   4.179   4.179
   94   2HB   ASP  12          2HB       ASP  12   3.249   5.164   5.164
   95    H    ILE  13           H        ILE  13   3.113   4.151   4.151
   96    HA   ILE  13           HA       ILE  13   3.703   6.728   6.728
   97    HB   ILE  13           HB       ILE  13   4.201   3.837   3.837
   98   1HG1  ILE  13          1HG1      ILE  13   5.876   4.763   4.763
   99   2HG1  ILE  13          2HG1      ILE  13   6.630   4.669   4.669
  100   1HG2  ILE  13          1HG2      ILE  13   3.680   5.042   5.042
  101   2HG2  ILE  13          2HG2      ILE  13   5.035   6.147   6.147
  102   3HG2  ILE  13          3HG2      ILE  13   5.302   4.407   4.407
  103   1HD1  ILE  13          1HD1      ILE  13   6.217   7.090   7.090
  104   2HD1  ILE  13          2HD1      ILE  13   5.499   7.269   7.269
  105   3HD1  ILE  13          3HD1      ILE  13   7.224   6.859   6.859
  106    H    CYS  14           H        CYS  14   1.195   4.480   4.480
  107    HA   CYS  14           HA       CYS  14   0.696   5.746   5.746
  108   1HB   CYS  14          1HB       CYS  14  -0.532   3.409   3.409
  109   2HB   CYS  14          2HB       CYS  14  -1.486   4.136   4.136
  110    H    ARG  15           H        ARG  15  -0.891   5.767   5.767
  111    HA   ARG  15           HA       ARG  15  -2.917   7.646   7.646
  112   1HB   ARG  15          1HB       ARG  15  -2.139   8.614   8.614
  113   2HB   ARG  15          2HB       ARG  15  -3.247   7.284   7.284
  114   1HG   ARG  15          1HG       ARG  15  -1.762   5.754   5.754
  115   2HG   ARG  15          2HG       ARG  15  -0.408   6.309   6.309
  116   1HD   ARG  15          1HD       ARG  15   0.082   6.712   6.712
  117   2HD   ARG  15          2HD       ARG  15  -0.114   8.291   8.291
  118    HE   ARG  15           HE       ARG  15  -2.595   7.079   7.079
  119   1HH1  ARG  15          1HH1      ARG  15  -0.053   9.415   9.415
  120   2HH1  ARG  15          2HH1      ARG  15  -0.983  10.340  10.340
  121   1HH2  ARG  15          1HH2      ARG  15  -3.541   8.129   8.129
  122   2HH2  ARG  15          2HH2      ARG  15  -2.881   9.645   9.645
  123    H    LEU  16           H        LEU  16   0.425   8.435   8.435
  124    HA   LEU  16           HA       LEU  16  -0.085  11.332  11.332
  125   1HB   LEU  16          1HB       LEU  16   2.545   9.728   9.728
  126   2HB   LEU  16          2HB       LEU  16   2.495  11.471  11.471
  127    HG   LEU  16           HG       LEU  16   1.478   9.445   9.445
  128   1HD1  LEU  16          1HD1      LEU  16   3.975   9.430   9.430
  129   2HD1  LEU  16          2HD1      LEU  16   4.036  11.192  11.192
  130   3HD1  LEU  16          3HD1      LEU  16   3.512  10.116  10.116
  131   1HD2  LEU  16          1HD2      LEU  16   1.712  12.533  12.533
  132   2HD2  LEU  16          2HD2      LEU  16   0.215  11.570  11.570
  133   3HD2  LEU  16          3HD2      LEU  16   1.378  11.448  11.448
  134    H    LYS  17           H        LYS  17   1.505   9.157   9.157
  135    HA   LYS  17           HA       LYS  17   2.013  11.420  11.420
  136   1HB   LYS  17          1HB       LYS  17   2.709   8.476   8.476
  137   2HB   LYS  17          2HB       LYS  17   2.481   9.001   9.001
  138   1HG   LYS  17          1HG       LYS  17   4.253  10.787  10.787
  139   2HG   LYS  17          2HG       LYS  17   4.884   9.185   9.185
  140   1HD   LYS  17          1HD       LYS  17   4.107  10.004  10.004
  141   2HD   LYS  17          2HD       LYS  17   4.363  11.592  11.592
  142   1HE   LYS  17          1HE       LYS  17   6.603  10.125  10.125
  143   2HE   LYS  17          2HE       LYS  17   6.416   9.491   9.491
  144   1HZ   LYS  17          1HZ       LYS  17   6.054  12.348  12.348
  145   2HZ   LYS  17          2HZ       LYS  17   7.584  11.841  11.841
  146   3HZ   LYS  17          3HZ       LYS  17   7.003  11.427  11.427
  147    H    LYS  18           H        LYS  18  -0.499   9.244   9.244
  148    HA   LYS  18           HA       LYS  18  -2.405   8.602   8.602
  149   1HB   LYS  18          1HB       LYS  18  -1.824  11.349  11.349
  150   2HB   LYS  18          2HB       LYS  18  -3.010  10.277  10.277
  151   1HG   LYS  18          1HG       LYS  18  -4.528  10.456  10.456
  152   2HG   LYS  18          2HG       LYS  18  -3.239  10.663  10.663
  153   1HD   LYS  18          1HD       LYS  18  -2.955  13.054  13.054
  154   2HD   LYS  18          2HD       LYS  18  -4.230  12.783  12.783
  155   1HE   LYS  18          1HE       LYS  18  -5.936  12.351  12.351
  156   2HE   LYS  18          2HE       LYS  18  -4.722  12.274  12.274
  157   1HZ   LYS  18          1HZ       LYS  18  -4.792  14.712  14.712
  158   2HZ   LYS  18          2HZ       LYS  18  -6.032  14.469  14.469
  159   3HZ   LYS  18          3HZ       LYS  18  -4.434  14.510  14.510
  160    H    LEU  19           H        LEU  19  -1.033   6.912   6.912
  161    HA   LEU  19           HA       LEU  19  -0.532   6.743   6.743
  162   1HB   LEU  19          1HB       LEU  19   1.277   4.947   4.947
  163   2HB   LEU  19          2HB       LEU  19   1.647   6.052   6.052
  164    HG   LEU  19           HG       LEU  19   1.344   7.580   7.580
  165   1HD1  LEU  19          1HD1      LEU  19   1.995   5.204   5.204
  166   2HD1  LEU  19          2HD1      LEU  19   3.551   5.424   5.424
  167   3HD1  LEU  19          3HD1      LEU  19   3.083   6.542   6.542
  168   1HD2  LEU  19          1HD2      LEU  19   3.558   7.143   7.143
  169   2HD2  LEU  19          2HD2      LEU  19   2.699   8.636   8.636
  170   3HD2  LEU  19          3HD2      LEU  19   3.927   7.994   7.994
  171    H    LYS  20           H        LYS  20   0.106   4.308   4.308
  172    HA   LYS  20           HA       LYS  20  -2.554   2.995   2.995
  173   1HB   LYS  20          1HB       LYS  20  -1.951   1.401   1.401
  174   2HB   LYS  20          2HB       LYS  20  -1.820   3.068   3.068
  175   1HG   LYS  20          1HG       LYS  20   0.792   2.697   2.697
  176   2HG   LYS  20          2HG       LYS  20   0.382   1.017   1.017
  177   1HD   LYS  20          1HD       LYS  20   0.819   3.371   3.371
  178   2HD   LYS  20          2HD       LYS  20   1.226   1.661   1.661
  179   1HE   LYS  20          1HE       LYS  20  -1.515   1.395   1.395
  180   2HE   LYS  20          2HE       LYS  20  -1.436   3.077   3.077
  181   1HZ   LYS  20          1HZ       LYS  20   0.486   1.991   1.991
  182   2HZ   LYS  20          2HZ       LYS  20  -0.529   0.660   0.660
  183   3HZ   LYS  20          3HZ       LYS  20  -1.123   2.097   2.097
  184    H    CYS  21           H        CYS  21  -2.869   1.155   1.155
  185    HA   CYS  21           HA       CYS  21  -0.366  -0.144  -0.144
  186   1HB   CYS  21          1HB       CYS  21  -1.097   1.831   1.831
  187   2HB   CYS  21          2HB       CYS  21  -2.627   1.001   1.001
  188    H    SER  22           H        SER  22  -1.349  -1.759  -1.759
  189    HA   SER  22           HA       SER  22  -3.288  -3.625  -3.625
  190   1HB   SER  22          1HB       SER  22  -1.512  -5.492  -5.492
  191   2HB   SER  22          2HB       SER  22  -1.884  -4.373  -4.373
  192    HG   SER  22           HG       SER  22   0.241  -4.227  -4.227
  193    H    LYS  23           H        LYS  23  -0.620  -2.649  -2.649
  194    HA   LYS  23           HA       LYS  23  -0.250  -3.096  -3.096
  195   1HB   LYS  23          1HB       LYS  23  -2.129  -3.360  -3.360
  196   2HB   LYS  23          2HB       LYS  23  -2.962  -3.002  -3.002
  197   1HG   LYS  23          1HG       LYS  23  -2.932  -5.719  -5.719
  198   2HG   LYS  23          2HG       LYS  23  -2.646  -5.710  -5.710
  199   1HD   LYS  23          1HD       LYS  23  -5.096  -5.040  -5.040
  200   2HD   LYS  23          2HD       LYS  23  -4.971  -5.795  -5.795
  201   1HE   LYS  23          1HE       LYS  23  -5.619  -3.745  -3.745
  202   2HE   LYS  23          2HE       LYS  23  -3.966  -3.206  -3.206
  203   1HZ   LYS  23          1HZ       LYS  23  -6.233  -3.031  -3.031
  204   2HZ   LYS  23          2HZ       LYS  23  -5.588  -1.760  -1.760
  205   3HZ   LYS  23          3HZ       LYS  23  -4.660  -2.511  -2.511
  206    H    GLU  24           H        GLU  24   0.343  -5.005  -5.005
  207    HA   GLU  24           HA       GLU  24   1.065  -7.489  -7.489
  208   1HB   GLU  24          1HB       GLU  24   3.339  -7.039  -7.039
  209   2HB   GLU  24          2HB       GLU  24   1.829  -7.379  -7.379
  210   1HG   GLU  24          1HG       GLU  24   1.637  -4.657  -4.657
  211   2HG   GLU  24          2HG       GLU  24   3.367  -4.738  -4.738
  212    H    LYS  25           H        LYS  25   3.231  -8.162  -8.162
  213    HA   LYS  25           HA       LYS  25   4.143  -6.287  -6.287
  214   1HB   LYS  25          1HB       LYS  25   3.100  -9.181  -9.181
  215   2HB   LYS  25          2HB       LYS  25   3.866  -8.225  -8.225
  216   1HG   LYS  25          1HG       LYS  25   1.982  -6.510  -6.510
  217   2HG   LYS  25          2HG       LYS  25   1.248  -7.437  -7.437
  218   1HD   LYS  25          1HD       LYS  25   1.592  -8.221  -8.221
  219   2HD   LYS  25          2HD       LYS  25   0.075  -7.868  -7.868
  220   1HE   LYS  25          1HE       LYS  25   1.017  -9.870  -9.870
  221   2HE   LYS  25          2HE       LYS  25   1.806 -10.387 -10.387
  222   1HZ   LYS  25          1HZ       LYS  25  -1.088  -9.717  -9.717
  223   2HZ   LYS  25          2HZ       LYS  25  -0.465 -11.272 -11.272
  224   3HZ   LYS  25          3HZ       LYS  25  -0.277 -10.428 -10.428
  225    HA   PRO  26           HA       PRO  26   5.374  -6.734  -6.734
  226   1HB   PRO  26          1HB       PRO  26   7.761  -5.433  -5.433
  227   2HB   PRO  26          2HB       PRO  26   7.510  -7.251  -7.251
  228   1HG   PRO  26          1HG       PRO  26   8.553  -6.173  -6.173
  229   2HG   PRO  26          2HG       PRO  26   9.415  -7.200  -7.200
  230   1HD   PRO  26          1HD       PRO  26   8.107  -8.166  -8.166
  231   2HD   PRO  26          2HD       PRO  26   7.788  -8.951  -8.951
  232    H    LYS  27           H        LYS  27   7.308  -5.311  -5.311
  233    HA   LYS  27           HA       LYS  27   5.645  -2.751  -2.751
  234   1HB   LYS  27          1HB       LYS  27   7.556  -1.946  -1.946
  235   2HB   LYS  27          2HB       LYS  27   7.814  -1.895  -1.895
  236   1HG   LYS  27          1HG       LYS  27   9.536  -3.442  -3.442
  237   2HG   LYS  27          2HG       LYS  27   8.533  -4.579  -4.579
  238   1HD   LYS  27          1HD       LYS  27   9.115  -3.253  -3.253
  239   2HD   LYS  27          2HD       LYS  27  10.154  -2.205  -2.205
  240   1HE   LYS  27          1HE       LYS  27  10.461  -5.290  -5.290
  241   2HE   LYS  27          2HE       LYS  27  11.460  -4.149  -4.149
  242   1HZ   LYS  27          1HZ       LYS  27  11.811  -3.082  -3.082
  243   2HZ   LYS  27          2HZ       LYS  27  11.383  -4.610  -4.610
  244   3HZ   LYS  27          3HZ       LYS  27  12.702  -4.430  -4.430
  245    H    CYS  28           H        CYS  28   4.388  -2.068  -2.068
  246    HA   CYS  28           HA       CYS  28   3.581  -3.838  -3.838
  247   1HB   CYS  28          1HB       CYS  28   3.093  -1.513  -1.513
  248   2HB   CYS  28          2HB       CYS  28   2.130  -1.987  -1.987
  249    H    ALA  29           H        ALA  29   3.821  -3.087  -3.087
  250    HA   ALA  29           HA       ALA  29   6.571  -3.528  -3.528
  251   1HB   ALA  29          1HB       ALA  29   4.470  -3.744  -3.744
  252   2HB   ALA  29          2HB       ALA  29   4.222  -1.984  -1.984
  253   3HB   ALA  29          3HB       ALA  29   5.640  -2.647  -2.647
  254    H    LYS  30           H        LYS  30   4.685  -0.676  -0.676
  255    HA   LYS  30           HA       LYS  30   6.678   1.141   1.141
  256   1HB   LYS  30          1HB       LYS  30   4.627   2.151   2.151
  257   2HB   LYS  30          2HB       LYS  30   3.941   1.228   1.228
  258   1HG   LYS  30          1HG       LYS  30   3.789   3.223   3.223
  259   2HG   LYS  30          2HG       LYS  30   5.540   3.221   3.221
  260   1HD   LYS  30          1HD       LYS  30   3.915   4.479   4.479
  261   2HD   LYS  30          2HD       LYS  30   4.687   5.357   5.357
  262   1HE   LYS  30          1HE       LYS  30   6.806   5.234   5.234
  263   2HE   LYS  30          2HE       LYS  30   6.628   3.521   3.521
  264   1HZ   LYS  30          1HZ       LYS  30   5.012   4.363   4.363
  265   2HZ   LYS  30          2HZ       LYS  30   5.719   5.868   5.868
  266   3HZ   LYS  30          3HZ       LYS  30   6.664   4.567   4.567
  267    H    CYS  31           H        CYS  31   6.161   0.369   0.369
  268    HA   CYS  31           HA       CYS  31   8.258   2.329   2.329
  269   1HB   CYS  31          1HB       CYS  31   7.308  -0.210  -0.210
  270   2HB   CYS  31          2HB       CYS  31   8.316   1.067   1.067
  271    H    LEU  32           H        LEU  32   8.144  -0.998  -0.998
  272    HA   LEU  32           HA       LEU  32  11.003  -1.535  -1.535
  273   1HB   LEU  32          1HB       LEU  32   9.094  -3.229  -3.229
  274   2HB   LEU  32          2HB       LEU  32   9.278  -2.631  -2.631
  275    HG   LEU  32           HG       LEU  32  11.523  -4.002  -4.002
  276   1HD1  LEU  32          1HD1      LEU  32   9.596  -5.556  -5.556
  277   2HD1  LEU  32          2HD1      LEU  32   9.646  -5.179  -5.179
  278   3HD1  LEU  32          3HD1      LEU  32  11.009  -6.022  -6.022
  279   1HD2  LEU  32          1HD2      LEU  32  11.340  -3.267  -3.267
  280   2HD2  LEU  32          2HD2      LEU  32  12.468  -2.586  -2.586
  281   3HD2  LEU  32          3HD2      LEU  32  12.616  -4.282  -4.282
  282    H    LYS  33           H        LYS  33   9.269   0.211   0.211
  283    HA   LYS  33           HA       LYS  33  11.526   0.132   0.132
  284   1HB   LYS  33          1HB       LYS  33   8.897   1.779   1.779
  285   2HB   LYS  33          2HB       LYS  33  10.131   2.150   2.150
  286   1HG   LYS  33          1HG       LYS  33   9.885  -0.633  -0.633
  287   2HG   LYS  33          2HG       LYS  33   8.254  -0.222  -0.222
  288   1HD   LYS  33          1HD       LYS  33   8.450  -0.193  -0.193
  289   2HD   LYS  33          2HD       LYS  33   8.114   1.451   1.451
  290   1HE   LYS  33          1HE       LYS  33  10.906   1.468   1.468
  291   2HE   LYS  33          2HE       LYS  33  10.677   0.359   0.359
  292   1HZ   LYS  33          1HZ       LYS  33   9.419   3.046   3.046
  293   2HZ   LYS  33          2HZ       LYS  33  10.742   2.651   2.651
  294   3HZ   LYS  33          3HZ       LYS  33   9.234   1.985   1.985
  295    H    ASN  34           H        ASN  34  10.476   2.156   2.156
  296    HA   ASN  34           HA       ASN  34  12.678   4.153   4.153
  297   1HB   ASN  34          1HB       ASN  34   9.895   4.404   4.404
  298   2HB   ASN  34          2HB       ASN  34  11.102   5.541   5.541
  299   1HD2  ASN  34          1HD2      ASN  34   9.308   6.144   6.144
  300   2HD2  ASN  34          2HD2      ASN  34   9.084   4.533   4.533
  301    H    ASN  35           H        ASN  35  12.450   1.566   1.566
  302    HA   ASN  35           HA       ASN  35  13.130   0.989   0.989
  303   1HB   ASN  35          1HB       ASN  35  15.391   1.423   1.423
  304   2HB   ASN  35          2HB       ASN  35  15.066   3.101   3.101
  305   1HD2  ASN  35          1HD2      ASN  35  15.547   2.959   2.959
  306   2HD2  ASN  35          2HD2      ASN  35  14.271   1.850   1.850
  307    H    TRP  36           H        TRP  36  11.145   1.502   1.502
  308    HA   TRP  36           HA       TRP  36  11.221   4.047   4.047
  309   1HB   TRP  36          1HB       TRP  36   8.962   2.806   2.806
  310   2HB   TRP  36          2HB       TRP  36   8.549   3.861   3.861
  311    HD1  TRP  36           HD1      TRP  36  11.460   5.668   5.668
  312    HE1  TRP  36           HE1      TRP  36  11.156   7.594   7.594
  313    HE3  TRP  36           HE3      TRP  36   7.157   3.855   3.855
  314    HZ2  TRP  36           HZ2      TRP  36   9.160   8.080   8.080
  315    HZ3  TRP  36           HZ3      TRP  36   6.118   5.048   5.048
  316    HH2  TRP  36           HH2      TRP  36   7.146   7.069   7.069
  317    H    GLU  37           H        GLU  37   9.389   3.935   3.935
  318    HA   GLU  37           HA       GLU  37   9.886   1.280   1.280
  319   1HB   GLU  37          1HB       GLU  37  10.835   3.312   3.312
  320   2HB   GLU  37          2HB       GLU  37   9.288   4.124   4.124
  321   1HG   GLU  37          1HG       GLU  37   8.887   1.613   1.613
  322   2HG   GLU  37          2HG       GLU  37  10.358   2.325   2.325
  323    H    CYS  38           H        CYS  38   8.134   0.903   0.903
  324    HA   CYS  38           HA       CYS  38   5.437   1.494   1.494
  325   1HB   CYS  38          1HB       CYS  38   6.468  -0.289  -0.289
  326   2HB   CYS  38          2HB       CYS  38   6.479  -1.433  -1.433
  327    H    ARG  39           H        ARG  39   4.502   2.059   2.059
  328    HA   ARG  39           HA       ARG  39   4.545   0.250   0.250
  329   1HB   ARG  39          1HB       ARG  39   4.918   2.811   2.811
  330   2HB   ARG  39          2HB       ARG  39   3.297   3.063   3.063
  331   1HG   ARG  39          1HG       ARG  39   2.906   1.361   1.361
  332   2HG   ARG  39          2HG       ARG  39   4.207   2.453   2.453
  333   1HD   ARG  39          1HD       ARG  39   2.772   4.433   4.433
  334   2HD   ARG  39          2HD       ARG  39   1.467   3.309   3.309
  335    HE   ARG  39           HE       ARG  39   2.461   2.834   2.834
  336   1HH1  ARG  39          1HH1      ARG  39   0.237   4.752   4.752
  337   2HH1  ARG  39          2HH1      ARG  39  -0.826   5.083   5.083
  338   1HH2  ARG  39          1HH2      ARG  39   1.267   3.239   3.239
  339   2HH2  ARG  39          2HH2      ARG  39  -0.271   4.265   4.265
  340    H    TYR  40           H        TYR  40   2.563  -0.299  -0.299
  341    HA   TYR  40           HA       TYR  40   0.295  -0.748  -0.748
  342   1HB   TYR  40          1HB       TYR  40   2.068  -2.866  -2.866
  343   2HB   TYR  40          2HB       TYR  40   0.368  -3.227  -3.227
  344    HD1  TYR  40           HD1      TYR  40   2.618  -1.635  -1.635
  345    HD2  TYR  40           HD2      TYR  40   0.425  -5.129  -5.129
  346    HE1  TYR  40           HE1      TYR  40   1.887  -2.021  -2.021
  347    HE2  TYR  40           HE2      TYR  40   0.420  -5.878  -5.878
  348    HH   TYR  40           HH       TYR  40  -0.093  -4.086  -4.086
  349    H    SER  41           H        SER  41   0.804   0.840   0.840
  350    HA   SER  41           HA       SER  41  -0.247   1.364   1.364
  351   1HB   SER  41          1HB       SER  41  -2.539   1.230   1.230
  352   2HB   SER  41          2HB       SER  41  -2.321   0.792   0.792
  353    HG   SER  41           HG       SER  41  -2.216  -1.505  -1.505
  354    HA   PRO  42           HA       PRO  42   1.050  -2.904  -2.904
  355   1HB   PRO  42          1HB       PRO  42   3.762  -1.588  -1.588
  356   2HB   PRO  42          2HB       PRO  42   3.275  -3.388  -3.388
  357   1HG   PRO  42          1HG       PRO  42   3.970  -1.613  -1.613
  358   2HG   PRO  42          2HG       PRO  42   2.625  -2.936  -2.936
  359   1HD   PRO  42          1HD       PRO  42   2.683   0.090   0.090
  360   2HD   PRO  42          2HD       PRO  42   1.698  -0.759  -0.759
  361    H    LYS  43           H        LYS  43   1.815   0.426   0.426
  362    HA   LYS  43           HA       LYS  43   3.061   0.277   0.277
  363   1HB   LYS  43          1HB       LYS  43   2.438   2.345   2.345
  364   2HB   LYS  43          2HB       LYS  43   1.046   2.515   2.515
  365   1HG   LYS  43          1HG       LYS  43   2.512   2.865   2.865
  366   2HG   LYS  43          2HG       LYS  43   3.949   2.404   2.404
  367   1HD   LYS  43          1HD       LYS  43   3.611   4.904   4.904
  368   2HD   LYS  43          2HD       LYS  43   3.893   4.499   4.499
  369   1HE   LYS  43          1HE       LYS  43   1.976   5.970   5.970
  370   2HE   LYS  43          2HE       LYS  43   1.262   4.357   4.357
  371   1HZ   LYS  43          1HZ       LYS  43   1.620   5.573   5.573
  372   2HZ   LYS  43          2HZ       LYS  43   0.284   5.937   5.937
  373   3HZ   LYS  43          3HZ       LYS  43   0.569   4.350   4.350

  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -19.184  -3.246  -3.246
    2   2H    MET   1          2H        MET   1 -20.360  -2.272  -2.272
    3   3H    MET   1          3H        MET   1 -18.752  -1.777  -1.777
    4    HA   MET   1           HA       MET   1 -18.763  -1.083  -1.083
    5   1HB   MET   1          1HB       MET   1 -21.630  -0.962  -0.962
    6   2HB   MET   1          2HB       MET   1 -21.351  -0.458  -0.458
    7   1HG   MET   1          1HG       MET   1 -21.168   1.607   1.607
    8   2HG   MET   1          2HG       MET   1 -19.464   1.124   1.124
    9   1HE   MET   1          1HE       MET   1 -18.252   1.828   1.828
   10   2HE   MET   1          2HE       MET   1 -18.084   1.288   1.288
   11   3HE   MET   1          3HE       MET   1 -18.957   2.806   2.806
   12    H    LYS   2           H        LYS   2 -18.025  -3.082  -3.082
   13    HA   LYS   2           HA       LYS   2 -20.168  -4.325  -4.325
   14   1HB   LYS   2          1HB       LYS   2 -17.504  -5.298  -5.298
   15   2HB   LYS   2          2HB       LYS   2 -17.916  -5.867  -5.867
   16   1HG   LYS   2          1HG       LYS   2 -19.394  -7.411  -7.411
   17   2HG   LYS   2          2HG       LYS   2 -20.309  -6.142  -6.142
   18   1HD   LYS   2          1HD       LYS   2 -17.687  -7.191  -7.191
   19   2HD   LYS   2          2HD       LYS   2 -19.165  -8.164  -8.164
   20   1HE   LYS   2          1HE       LYS   2 -19.314  -5.175  -5.175
   21   2HE   LYS   2          2HE       LYS   2 -18.610  -6.288  -6.288
   22   1HZ   LYS   2          1HZ       LYS   2 -20.643  -7.703  -7.703
   23   2HZ   LYS   2          2HZ       LYS   2 -21.320  -6.434  -6.434
   24   3HZ   LYS   2          3HZ       LYS   2 -20.906  -6.217  -6.217
   25    H    LEU   3           H        LEU   3 -19.772  -1.902  -1.902
   26    HA   LEU   3           HA       LEU   3 -17.561  -1.206  -1.206
   27   1HB   LEU   3          1HB       LEU   3 -19.062   0.377   0.377
   28   2HB   LEU   3          2HB       LEU   3 -19.367   0.390   0.390
   29    HG   LEU   3           HG       LEU   3 -21.520   0.525   0.525
   30   1HD1  LEU   3          1HD1      LEU   3 -21.048  -2.528  -2.528
   31   2HD1  LEU   3          2HD1      LEU   3 -22.659  -1.774  -1.774
   32   3HD1  LEU   3          3HD1      LEU   3 -21.559  -1.461  -1.461
   33   1HD2  LEU   3          1HD2      LEU   3 -20.529  -1.021  -1.021
   34   2HD2  LEU   3          2HD2      LEU   3 -21.430   0.497   0.497
   35   3HD2  LEU   3          3HD2      LEU   3 -22.275  -1.050  -1.050
   36    H    LEU   4           H        LEU   4 -16.625  -2.009  -2.009
   37    HA   LEU   4           HA       LEU   4 -18.150  -3.854  -3.854
   38   1HB   LEU   4          1HB       LEU   4 -15.612  -4.078  -4.078
   39   2HB   LEU   4          2HB       LEU   4 -15.212  -3.122  -3.122
   40    HG   LEU   4           HG       LEU   4 -14.804  -5.353  -5.353
   41   1HD1  LEU   4          1HD1      LEU   4 -16.494  -3.878  -3.878
   42   2HD1  LEU   4          2HD1      LEU   4 -17.643  -5.174  -5.174
   43   3HD1  LEU   4          3HD1      LEU   4 -16.121  -5.557  -5.557
   44   1HD2  LEU   4          1HD2      LEU   4 -16.801  -6.116  -6.116
   45   2HD2  LEU   4          2HD2      LEU   4 -15.793  -7.210  -7.210
   46   3HD2  LEU   4          3HD2      LEU   4 -17.404  -6.702  -6.702
   47    H    SER   5           H        SER   5 -15.949  -1.090  -1.090
   48    HA   SER   5           HA       SER   5 -16.281   0.885   0.885
   49   1HB   SER   5          1HB       SER   5 -18.413   1.637   1.637
   50   2HB   SER   5          2HB       SER   5 -18.859   0.380   0.380
   51    HG   SER   5           HG       SER   5 -19.532   0.635   0.635
   52    H    SER   6           H        SER   6 -15.069  -1.538  -1.538
   53    HA   SER   6           HA       SER   6 -15.045  -0.557  -0.557
   54   1HB   SER   6          1HB       SER   6 -14.950  -2.794  -2.794
   55   2HB   SER   6          2HB       SER   6 -16.333  -2.800  -2.800
   56    HG   SER   6           HG       SER   6 -14.105  -4.319  -4.319
   57    H    ILE   7           H        ILE   7 -13.387  -0.406  -0.406
   58    HA   ILE   7           HA       ILE   7 -11.225   0.897   0.897
   59    HB   ILE   7           HB       ILE   7 -10.923  -0.607  -0.607
   60   1HG1  ILE   7          1HG1      ILE   7  -9.309   1.230   1.230
   61   2HG1  ILE   7          2HG1      ILE   7  -8.678   0.008   0.008
   62   1HG2  ILE   7          1HG2      ILE   7 -10.739  -2.871  -2.871
   63   2HG2  ILE   7          2HG2      ILE   7  -9.104  -2.333  -2.333
   64   3HG2  ILE   7          3HG2      ILE   7  -9.540  -2.630  -2.630
   65   1HD1  ILE   7          1HD1      ILE   7  -7.570  -1.215  -1.215
   66   2HD1  ILE   7          2HD1      ILE   7  -8.074   0.118   0.118
   67   3HD1  ILE   7          3HD1      ILE   7  -6.955   0.432   0.432
   68    H    GLU   8           H        GLU   8  -9.593   0.890   0.890
   69    HA   GLU   8           HA       GLU   8  -9.450  -1.631  -1.631
   70   1HB   GLU   8          1HB       GLU   8 -10.616  -0.125  -0.125
   71   2HB   GLU   8          2HB       GLU   8  -9.856   1.297   1.297
   72   1HG   GLU   8          1HG       GLU   8  -7.939  -0.515  -0.515
   73   2HG   GLU   8          2HG       GLU   8  -9.226   0.110   0.110
   74    H    GLN   9           H        GLN   9  -7.725  -2.521  -2.521
   75    HA   GLN   9           HA       GLN   9  -5.527  -1.363  -1.363
   76   1HB   GLN   9          1HB       GLN   9  -6.158  -3.870  -3.870
   77   2HB   GLN   9          2HB       GLN   9  -4.529  -3.421  -3.421
   78   1HG   GLN   9          1HG       GLN   9  -3.643  -4.091  -4.091
   79   2HG   GLN   9          2HG       GLN   9  -4.748  -3.081  -3.081
   80   1HE2  GLN   9          1HE2      GLN   9  -6.794  -5.957  -5.957
   81   2HE2  GLN   9          2HE2      GLN   9  -6.782  -4.115  -4.115
   82    H    ALA  10           H        ALA  10  -3.966  -0.100  -0.100
   83    HA   ALA  10           HA       ALA  10  -2.478  -0.193  -0.193
   84   1HB   ALA  10          1HB       ALA  10  -4.423   1.147   1.147
   85   2HB   ALA  10          2HB       ALA  10  -4.214   2.344   2.344
   86   3HB   ALA  10          3HB       ALA  10  -2.978   2.176   2.176
   87    H    CYS  11           H        CYS  11  -0.529   1.018   1.018
   88    HA   CYS  11           HA       CYS  11   0.345   1.093   1.093
   89   1HB   CYS  11          1HB       CYS  11   2.654   1.344   1.344
   90   2HB   CYS  11          2HB       CYS  11   1.741  -0.008  -0.008
   91    H    ASP  12           H        ASP  12   2.040   2.794   2.794
   92    HA   ASP  12           HA       ASP  12   0.630   5.333   5.333
   93   1HB   ASP  12          1HB       ASP  12   2.698   4.301   4.301
   94   2HB   ASP  12          2HB       ASP  12   3.688   5.148   5.148
   95    H    ILE  13           H        ILE  13   3.065   4.129   4.129
   96    HA   ILE  13           HA       ILE  13   3.753   6.763   6.763
   97    HB   ILE  13           HB       ILE  13   4.270   3.864   3.864
   98   1HG1  ILE  13          1HG1      ILE  13   5.950   4.684   4.684
   99   2HG1  ILE  13          2HG1      ILE  13   6.712   4.735   4.735
  100   1HG2  ILE  13          1HG2      ILE  13   3.753   5.137   5.137
  101   2HG2  ILE  13          2HG2      ILE  13   5.218   6.095   6.095
  102   3HG2  ILE  13          3HG2      ILE  13   5.358   4.370   4.370
  103   1HD1  ILE  13          1HD1      ILE  13   5.530   7.357   7.357
  104   2HD1  ILE  13          2HD1      ILE  13   6.396   6.980   6.980
  105   3HD1  ILE  13          3HD1      ILE  13   7.246   6.897   6.897
  106    H    CYS  14           H        CYS  14   1.282   4.482   4.482
  107    HA   CYS  14           HA       CYS  14   0.631   5.837   5.837
  108   1HB   CYS  14          1HB       CYS  14  -0.593   3.508   3.508
  109   2HB   CYS  14          2HB       CYS  14  -1.552   4.284   4.284
  110    H    ARG  15           H        ARG  15  -0.605   5.833   5.833
  111    HA   ARG  15           HA       ARG  15  -2.727   7.685   7.685
  112   1HB   ARG  15          1HB       ARG  15  -0.924   8.471   8.471
  113   2HB   ARG  15          2HB       ARG  15  -2.604   7.972   7.972
  114   1HG   ARG  15          1HG       ARG  15  -0.984   5.561   5.561
  115   2HG   ARG  15          2HG       ARG  15  -0.174   6.441   6.441
  116   1HD   ARG  15          1HD       ARG  15  -3.205   5.846   5.846
  117   2HD   ARG  15          2HD       ARG  15  -1.988   4.645   4.645
  118    HE   ARG  15           HE       ARG  15  -1.230   6.137   6.137
  119   1HH1  ARG  15          1HH1      ARG  15  -3.962   7.438   7.438
  120   2HH1  ARG  15          2HH1      ARG  15  -4.324   8.649   8.649
  121   1HH2  ARG  15          1HH2      ARG  15  -1.683   7.471   7.471
  122   2HH2  ARG  15          2HH2      ARG  15  -3.087   8.673   8.673
  123    H    LEU  16           H        LEU  16   0.688   8.531   8.531
  124    HA   LEU  16           HA       LEU  16   0.088  11.429  11.429
  125   1HB   LEU  16          1HB       LEU  16   2.709   9.807   9.807
  126   2HB   LEU  16          2HB       LEU  16   2.705  11.558  11.558
  127    HG   LEU  16           HG       LEU  16   1.905  11.783  11.783
  128   1HD1  LEU  16          1HD1      LEU  16   0.215   9.838   9.838
  129   2HD1  LEU  16          2HD1      LEU  16   1.550   8.715   8.715
  130   3HD1  LEU  16          3HD1      LEU  16   1.144   9.933   9.933
  131   1HD2  LEU  16          1HD2      LEU  16   4.355  11.174  11.174
  132   2HD2  LEU  16          2HD2      LEU  16   3.729  10.654  10.654
  133   3HD2  LEU  16          3HD2      LEU  16   3.953   9.469   9.469
  134    H    LYS  17           H        LYS  17   1.557   9.138   9.138
  135    HA   LYS  17           HA       LYS  17   2.084  11.325  11.325
  136   1HB   LYS  17          1HB       LYS  17   2.516   8.286   8.286
  137   2HB   LYS  17          2HB       LYS  17   2.577   9.082   9.082
  138   1HG   LYS  17          1HG       LYS  17   4.220  10.341  10.341
  139   2HG   LYS  17          2HG       LYS  17   4.773   8.787   8.787
  140   1HD   LYS  17          1HD       LYS  17   4.554  10.036  10.036
  141   2HD   LYS  17          2HD       LYS  17   4.549  11.509  11.509
  142   1HE   LYS  17          1HE       LYS  17   6.640   9.579   9.579
  143   2HE   LYS  17          2HE       LYS  17   6.888  10.023  10.023
  144   1HZ   LYS  17          1HZ       LYS  17   6.363  12.411  12.411
  145   2HZ   LYS  17          2HZ       LYS  17   6.870  11.751  11.751
  146   3HZ   LYS  17          3HZ       LYS  17   7.902  11.746  11.746
  147    H    LYS  18           H        LYS  18  -0.501   9.303   9.303
  148    HA   LYS  18           HA       LYS  18  -2.512   8.756   8.756
  149   1HB   LYS  18          1HB       LYS  18  -1.800  11.398  11.398
  150   2HB   LYS  18          2HB       LYS  18  -3.073  10.379  10.379
  151   1HG   LYS  18          1HG       LYS  18  -4.509  10.696  10.696
  152   2HG   LYS  18          2HG       LYS  18  -3.165  10.951  10.951
  153   1HD   LYS  18          1HD       LYS  18  -3.510  13.203  13.203
  154   2HD   LYS  18          2HD       LYS  18  -3.135  13.128  13.128
  155   1HE   LYS  18          1HE       LYS  18  -5.375  13.168  13.168
  156   2HE   LYS  18          2HE       LYS  18  -5.870  12.022  12.022
  157   1HZ   LYS  18          1HZ       LYS  18  -5.700  13.800  13.800
  158   2HZ   LYS  18          2HZ       LYS  18  -5.246  14.897  14.897
  159   3HZ   LYS  18          3HZ       LYS  18  -6.777  14.202  14.202
  160    H    LEU  19           H        LEU  19  -1.342   6.932   6.932
  161    HA   LEU  19           HA       LEU  19  -0.669   6.654   6.654
  162   1HB   LEU  19          1HB       LEU  19   0.897   5.782   5.782
  163   2HB   LEU  19          2HB       LEU  19   0.931   4.710   4.710
  164    HG   LEU  19           HG       LEU  19   2.442   5.981   5.981
  165   1HD1  LEU  19          1HD1      LEU  19   0.951   8.485   8.485
  166   2HD1  LEU  19          2HD1      LEU  19   2.432   8.579   8.579
  167   3HD1  LEU  19          3HD1      LEU  19   0.966   7.816   7.816
  168   1HD2  LEU  19          1HD2      LEU  19   2.715   6.889   6.889
  169   2HD2  LEU  19          2HD2      LEU  19   3.850   5.941   5.941
  170   3HD2  LEU  19          3HD2      LEU  19   3.698   7.703   7.703
  171    H    LYS  20           H        LYS  20  -0.414   4.304   4.304
  172    HA   LYS  20           HA       LYS  20  -2.899   2.861   2.861
  173   1HB   LYS  20          1HB       LYS  20  -0.943   1.551   1.551
  174   2HB   LYS  20          2HB       LYS  20  -2.701   1.528   1.528
  175   1HG   LYS  20          1HG       LYS  20  -1.116   4.115   4.115
  176   2HG   LYS  20          2HG       LYS  20  -1.445   2.909   2.909
  177   1HD   LYS  20          1HD       LYS  20  -3.562   4.388   4.388
  178   2HD   LYS  20          2HD       LYS  20  -3.051   4.875   4.875
  179   1HE   LYS  20          1HE       LYS  20  -4.013   1.985   1.985
  180   2HE   LYS  20          2HE       LYS  20  -5.206   3.271   3.271
  181   1HZ   LYS  20          1HZ       LYS  20  -3.221   3.637   3.637
  182   2HZ   LYS  20          2HZ       LYS  20  -3.602   1.998   1.998
  183   3HZ   LYS  20          3HZ       LYS  20  -4.814   3.144   3.144
  184    H    CYS  21           H        CYS  21  -2.966   0.853   0.853
  185    HA   CYS  21           HA       CYS  21  -0.309  -0.115  -0.115
  186   1HB   CYS  21          1HB       CYS  21  -1.724   1.421   1.421
  187   2HB   CYS  21          2HB       CYS  21  -2.914   0.115   0.115
  188    H    SER  22           H        SER  22  -0.693  -1.545  -1.545
  189    HA   SER  22           HA       SER  22  -2.437  -3.739  -3.739
  190   1HB   SER  22          1HB       SER  22  -0.327  -5.212  -5.212
  191   2HB   SER  22          2HB       SER  22  -0.599  -3.831  -3.831
  192    HG   SER  22           HG       SER  22   0.861  -3.045  -3.045
  193    H    LYS  23           H        LYS  23  -0.304  -3.116  -3.116
  194    HA   LYS  23           HA       LYS  23  -0.855  -3.781  -3.781
  195   1HB   LYS  23          1HB       LYS  23  -2.789  -5.680  -5.680
  196   2HB   LYS  23          2HB       LYS  23  -2.486  -5.886  -5.886
  197   1HG   LYS  23          1HG       LYS  23  -3.586  -3.854  -3.854
  198   2HG   LYS  23          2HG       LYS  23  -3.148  -3.053  -3.053
  199   1HD   LYS  23          1HD       LYS  23  -4.968  -4.284  -4.284
  200   2HD   LYS  23          2HD       LYS  23  -5.270  -5.293  -5.293
  201   1HE   LYS  23          1HE       LYS  23  -5.412  -2.728  -2.728
  202   2HE   LYS  23          2HE       LYS  23  -6.059  -2.400  -2.400
  203   1HZ   LYS  23          1HZ       LYS  23  -7.187  -4.805  -4.805
  204   2HZ   LYS  23          2HZ       LYS  23  -7.255  -3.842  -3.842
  205   3HZ   LYS  23          3HZ       LYS  23  -7.938  -3.302  -3.302
  206    H    GLU  24           H        GLU  24   0.651  -5.577  -5.577
  207    HA   GLU  24           HA       GLU  24   1.624  -7.853  -7.853
  208   1HB   GLU  24          1HB       GLU  24   3.986  -7.183  -7.183
  209   2HB   GLU  24          2HB       GLU  24   2.676  -7.501  -7.501
  210   1HG   GLU  24          1HG       GLU  24   2.394  -5.073  -5.073
  211   2HG   GLU  24          2HG       GLU  24   3.504  -4.624  -4.624
  212    H    LYS  25           H        LYS  25   3.605  -8.321  -8.321
  213    HA   LYS  25           HA       LYS  25   4.085  -6.358  -6.358
  214   1HB   LYS  25          1HB       LYS  25   2.873  -9.184  -9.184
  215   2HB   LYS  25          2HB       LYS  25   3.770  -8.500  -8.500
  216   1HG   LYS  25          1HG       LYS  25   1.906  -6.425  -6.425
  217   2HG   LYS  25          2HG       LYS  25   0.998  -7.932  -7.932
  218   1HD   LYS  25          1HD       LYS  25   2.256  -6.516  -6.516
  219   2HD   LYS  25          2HD       LYS  25   0.619  -7.178  -7.178
  220   1HE   LYS  25          1HE       LYS  25   2.078  -9.528  -9.528
  221   2HE   LYS  25          2HE       LYS  25   3.188  -8.643  -8.643
  222   1HZ   LYS  25          1HZ       LYS  25   0.407  -8.415  -8.415
  223   2HZ   LYS  25          2HZ       LYS  25   1.024  -9.978  -9.978
  224   3HZ   LYS  25          3HZ       LYS  25   1.768  -8.737  -8.737
  225    HA   PRO  26           HA       PRO  26   5.116  -6.511  -6.511
  226   1HB   PRO  26          1HB       PRO  26   7.387  -5.059  -5.059
  227   2HB   PRO  26          2HB       PRO  26   7.155  -6.833  -6.833
  228   1HG   PRO  26          1HG       PRO  26   8.463  -5.970  -5.970
  229   2HG   PRO  26          2HG       PRO  26   9.204  -6.823  -6.823
  230   1HD   PRO  26          1HD       PRO  26   8.199  -8.054  -8.054
  231   2HD   PRO  26          2HD       PRO  26   7.724  -8.697  -8.697
  232    H    LYS  27           H        LYS  27   7.296  -5.229  -5.229
  233    HA   LYS  27           HA       LYS  27   5.739  -2.618  -2.618
  234   1HB   LYS  27          1HB       LYS  27   7.574  -1.888  -1.888
  235   2HB   LYS  27          2HB       LYS  27   8.070  -2.098  -2.098
  236   1HG   LYS  27          1HG       LYS  27   8.678  -4.612  -4.612
  237   2HG   LYS  27          2HG       LYS  27   8.568  -3.978  -3.978
  238   1HD   LYS  27          1HD       LYS  27  10.589  -2.833  -2.833
  239   2HD   LYS  27          2HD       LYS  27  10.275  -2.373  -2.373
  240   1HE   LYS  27          1HE       LYS  27  11.009  -4.476  -4.476
  241   2HE   LYS  27          2HE       LYS  27  10.698  -5.357  -5.357
  242   1HZ   LYS  27          1HZ       LYS  27  12.493  -3.586  -3.586
  243   2HZ   LYS  27          2HZ       LYS  27  12.999  -3.744  -3.744
  244   3HZ   LYS  27          3HZ       LYS  27  12.898  -5.101  -5.101
  245    H    CYS  28           H        CYS  28   4.406  -1.963  -1.963
  246    HA   CYS  28           HA       CYS  28   3.456  -3.744  -3.744
  247   1HB   CYS  28          1HB       CYS  28   2.702  -1.476  -1.476
  248   2HB   CYS  28          2HB       CYS  28   2.006  -1.914  -1.914
  249    H    ALA  29           H        ALA  29   3.452  -2.736  -2.736
  250    HA   ALA  29           HA       ALA  29   6.136  -3.130  -3.130
  251   1HB   ALA  29          1HB       ALA  29   3.947  -3.414  -3.414
  252   2HB   ALA  29          2HB       ALA  29   3.626  -1.669  -1.669
  253   3HB   ALA  29          3HB       ALA  29   4.999  -2.252  -2.252
  254    H    LYS  30           H        LYS  30   4.214  -0.313  -0.313
  255    HA   LYS  30           HA       LYS  30   5.876   1.818   1.818
  256   1HB   LYS  30          1HB       LYS  30   3.678   1.435   1.435
  257   2HB   LYS  30          2HB       LYS  30   4.916   2.086   2.086
  258   1HG   LYS  30          1HG       LYS  30   3.164   3.670   3.670
  259   2HG   LYS  30          2HG       LYS  30   4.744   4.231   4.231
  260   1HD   LYS  30          1HD       LYS  30   5.240   3.021   3.021
  261   2HD   LYS  30          2HD       LYS  30   3.644   3.772   3.772
  262   1HE   LYS  30          1HE       LYS  30   4.636   5.939   5.939
  263   2HE   LYS  30          2HE       LYS  30   6.238   5.199   5.199
  264   1HZ   LYS  30          1HZ       LYS  30   5.600   4.795   4.795
  265   2HZ   LYS  30          2HZ       LYS  30   4.378   5.923   5.923
  266   3HZ   LYS  30          3HZ       LYS  30   5.986   6.364   6.364
  267    H    CYS  31           H        CYS  31   5.997   0.746   0.746
  268    HA   CYS  31           HA       CYS  31   8.344   2.377   2.377
  269   1HB   CYS  31          1HB       CYS  31   7.313  -0.076  -0.076
  270   2HB   CYS  31          2HB       CYS  31   8.409   1.144   1.144
  271    H    LEU  32           H        LEU  32   8.039  -0.962  -0.962
  272    HA   LEU  32           HA       LEU  32  10.913  -1.570  -1.570
  273   1HB   LEU  32          1HB       LEU  32   8.954  -3.277  -3.277
  274   2HB   LEU  32          2HB       LEU  32   8.977  -2.818  -2.818
  275    HG   LEU  32           HG       LEU  32  11.098  -4.389  -4.389
  276   1HD1  LEU  32          1HD1      LEU  32   9.076  -5.608  -5.608
  277   2HD1  LEU  32          2HD1      LEU  32   9.625  -5.096  -5.096
  278   3HD1  LEU  32          3HD1      LEU  32  10.650  -6.174  -6.174
  279   1HD2  LEU  32          1HD2      LEU  32  12.252  -2.659  -2.659
  280   2HD2  LEU  32          2HD2      LEU  32  12.569  -4.326  -4.326
  281   3HD2  LEU  32          3HD2      LEU  32  11.396  -3.307  -3.307
  282    H    LYS  33           H        LYS  33   9.097  -0.101  -0.101
  283    HA   LYS  33           HA       LYS  33  11.325  -0.215  -0.215
  284   1HB   LYS  33          1HB       LYS  33   8.794   1.570   1.570
  285   2HB   LYS  33          2HB       LYS  33   9.948   1.761   1.761
  286   1HG   LYS  33          1HG       LYS  33   9.332  -1.060  -1.060
  287   2HG   LYS  33          2HG       LYS  33   7.797  -0.280  -0.280
  288   1HD   LYS  33          1HD       LYS  33   8.824   1.226   1.226
  289   2HD   LYS  33          2HD       LYS  33   9.365  -0.428  -0.428
  290   1HE   LYS  33          1HE       LYS  33   6.839  -1.095  -1.095
  291   2HE   LYS  33          2HE       LYS  33   6.478   0.587   0.587
  292   1HZ   LYS  33          1HZ       LYS  33   8.033  -1.121  -1.121
  293   2HZ   LYS  33          2HZ       LYS  33   6.351  -1.154  -1.154
  294   3HZ   LYS  33          3HZ       LYS  33   7.160   0.278   0.278
  295    H    ASN  34           H        ASN  34  10.395   1.776   1.776
  296    HA   ASN  34           HA       ASN  34  12.445   3.900   3.900
  297   1HB   ASN  34          1HB       ASN  34   9.881   4.071   4.071
  298   2HB   ASN  34          2HB       ASN  34  10.872   5.446   5.446
  299   1HD2  ASN  34          1HD2      ASN  34   8.881   5.877   5.877
  300   2HD2  ASN  34          2HD2      ASN  34   9.829   6.639   6.639
  301    H    ASN  35           H        ASN  35  12.596   1.357   1.357
  302    HA   ASN  35           HA       ASN  35  13.033   0.844   0.844
  303   1HB   ASN  35          1HB       ASN  35  15.183   2.684   2.684
  304   2HB   ASN  35          2HB       ASN  35  15.311   1.033   1.033
  305   1HD2  ASN  35          1HD2      ASN  35  15.630   2.716   2.716
  306   2HD2  ASN  35          2HD2      ASN  35  14.381   1.544   1.544
  307    H    TRP  36           H        TRP  36  11.143   1.528   1.528
  308    HA   TRP  36           HA       TRP  36  11.329   4.183   4.183
  309   1HB   TRP  36          1HB       TRP  36   9.006   2.868   2.868
  310   2HB   TRP  36          2HB       TRP  36   8.629   4.015   4.015
  311    HD1  TRP  36           HD1      TRP  36  11.539   5.723   5.723
  312    HE1  TRP  36           HE1      TRP  36  11.181   7.569   7.569
  313    HE3  TRP  36           HE3      TRP  36   7.158   3.849   3.849
  314    HZ2  TRP  36           HZ2      TRP  36   9.092   8.020   8.020
  315    HZ3  TRP  36           HZ3      TRP  36   6.090   4.945   4.945
  316    HH2  TRP  36           HH2      TRP  36   6.995   7.039   7.039
  317    H    GLU  37           H        GLU  37   9.494   4.197   4.197
  318    HA   GLU  37           HA       GLU  37   9.935   1.616   1.616
  319   1HB   GLU  37          1HB       GLU  37  10.818   3.749   3.749
  320   2HB   GLU  37          2HB       GLU  37   9.246   4.508   4.508
  321   1HG   GLU  37          1HG       GLU  37   8.888   2.106   2.106
  322   2HG   GLU  37          2HG       GLU  37  10.352   2.869   2.869
  323    H    CYS  38           H        CYS  38   8.198   1.049   1.049
  324    HA   CYS  38           HA       CYS  38   5.469   1.570   1.570
  325   1HB   CYS  38          1HB       CYS  38   6.595  -0.207  -0.207
  326   2HB   CYS  38          2HB       CYS  38   6.562  -1.334  -1.334
  327    H    ARG  39           H        ARG  39   4.600   2.100   2.100
  328    HA   ARG  39           HA       ARG  39   4.517   0.049   0.049
  329   1HB   ARG  39          1HB       ARG  39   4.577   2.847   2.847
  330   2HB   ARG  39          2HB       ARG  39   2.846   2.583   2.583
  331   1HG   ARG  39          1HG       ARG  39   3.165   2.373   2.373
  332   2HG   ARG  39          2HG       ARG  39   3.783   0.762   0.762
  333   1HD   ARG  39          1HD       ARG  39   6.137   1.755   1.755
  334   2HD   ARG  39          2HD       ARG  39   5.467   3.351   3.351
  335    HE   ARG  39           HE       ARG  39   4.472   1.655   1.655
  336   1HH1  ARG  39          1HH1      ARG  39   7.675   2.379   2.379
  337   2HH1  ARG  39          2HH1      ARG  39   8.416   2.063   2.063
  338   1HH2  ARG  39          1HH2      ARG  39   5.344   1.324   1.324
  339   2HH2  ARG  39          2HH2      ARG  39   7.154   1.488   1.488
  340    H    TYR  40           H        TYR  40   2.760  -1.098  -1.098
  341    HA   TYR  40           HA       TYR  40   0.280  -0.672  -0.672
  342   1HB   TYR  40          1HB       TYR  40   1.618  -3.213  -3.213
  343   2HB   TYR  40          2HB       TYR  40  -0.112  -3.235  -3.235
  344    HD1  TYR  40           HD1      TYR  40   2.322  -1.611  -1.611
  345    HD2  TYR  40           HD2      TYR  40  -0.086  -5.069  -5.069
  346    HE1  TYR  40           HE1      TYR  40   1.921  -1.947  -1.947
  347    HE2  TYR  40           HE2      TYR  40  -0.035  -5.659  -5.659
  348    HH   TYR  40           HH       TYR  40   0.500  -3.152  -3.152
  349    H    SER  41           H        SER  41   1.551  -1.021  -1.021
  350    HA   SER  41           HA       SER  41  -0.440  -0.088  -0.088
  351   1HB   SER  41          1HB       SER  41  -2.098  -1.819  -1.819
  352   2HB   SER  41          2HB       SER  41  -2.213  -1.479  -1.479
  353    HG   SER  41           HG       SER  41  -0.937  -3.376  -3.376
  354    HA   PRO  42           HA       PRO  42   1.517  -1.742  -1.742
  355   1HB   PRO  42          1HB       PRO  42  -0.692  -3.847  -3.847
  356   2HB   PRO  42          2HB       PRO  42   0.123  -2.904  -2.904
  357   1HG   PRO  42          1HG       PRO  42  -2.299  -2.073  -2.073
  358   2HG   PRO  42          2HG       PRO  42  -0.898  -0.941  -0.941
  359   1HD   PRO  42          1HD       PRO  42  -1.927  -2.057  -2.057
  360   2HD   PRO  42          2HD       PRO  42  -1.290  -0.370  -0.370
  361    H    LYS  43           H        LYS  43   0.349  -4.262  -4.262
  362    HA   LYS  43           HA       LYS  43   3.124  -5.139  -5.139
  363   1HB   LYS  43          1HB       LYS  43   2.801  -7.539  -7.539
  364   2HB   LYS  43          2HB       LYS  43   3.094  -6.283  -6.283
  365   1HG   LYS  43          1HG       LYS  43   0.163  -6.815  -6.815
  366   2HG   LYS  43          2HG       LYS  43   1.018  -8.134  -8.134
  367   1HD   LYS  43          1HD       LYS  43   1.696  -6.381  -6.381
  368   2HD   LYS  43          2HD       LYS  43   0.614  -5.238  -5.238
  369   1HE   LYS  43          1HE       LYS  43  -1.101  -7.412  -7.412
  370   2HE   LYS  43          2HE       LYS  43  -0.121  -7.762  -7.762
  371   1HZ   LYS  43          1HZ       LYS  43  -1.172  -5.035  -5.035
  372   2HZ   LYS  43          2HZ       LYS  43  -2.106  -6.223  -6.223
  373   3HZ   LYS  43          3HZ       LYS  43  -0.658  -5.735  -5.735

  Start of MODEL   15
    1   1H    MET   1          1H        MET   1 -16.243   4.399   4.399
    2   2H    MET   1          2H        MET   1 -17.613   4.948   4.948
    3   3H    MET   1          3H        MET   1 -16.262   4.458   4.458
    4    HA   MET   1           HA       MET   1 -15.092   6.313   6.313
    5   1HB   MET   1          1HB       MET   1 -17.551   6.733   6.733
    6   2HB   MET   1          2HB       MET   1 -17.880   7.501   7.501
    7   1HG   MET   1          1HG       MET   1 -17.231   9.369   9.369
    8   2HG   MET   1          2HG       MET   1 -15.698   8.954   8.954
    9   1HE   MET   1          1HE       MET   1 -13.874   8.539   8.539
   10   2HE   MET   1          2HE       MET   1 -13.361   7.724   7.724
   11   3HE   MET   1          3HE       MET   1 -13.589   9.499   9.499
   12    H    LYS   2           H        LYS   2 -14.684   5.044   5.044
   13    HA   LYS   2           HA       LYS   2 -13.481   5.797   5.797
   14   1HB   LYS   2          1HB       LYS   2 -13.931   8.267   8.267
   15   2HB   LYS   2          2HB       LYS   2 -15.254   8.312   8.312
   16   1HG   LYS   2          1HG       LYS   2 -12.973   9.277   9.277
   17   2HG   LYS   2          2HG       LYS   2 -13.776   8.148   8.148
   18   1HD   LYS   2          1HD       LYS   2 -11.374   7.687   7.687
   19   2HD   LYS   2          2HD       LYS   2 -12.202   6.327   6.327
   20   1HE   LYS   2          1HE       LYS   2 -11.825   7.416   7.416
   21   2HE   LYS   2          2HE       LYS   2 -10.927   8.729   8.729
   22   1HZ   LYS   2          1HZ       LYS   2  -9.384   7.095   7.095
   23   2HZ   LYS   2          2HZ       LYS   2 -10.220   5.842   5.842
   24   3HZ   LYS   2          3HZ       LYS   2  -9.444   7.008   7.008
   25    H    LEU   3           H        LEU   3 -16.974   6.047   6.047
   26    HA   LEU   3           HA       LEU   3 -17.088   4.926   4.926
   27   1HB   LEU   3          1HB       LEU   3 -17.543   7.316   7.316
   28   2HB   LEU   3          2HB       LEU   3 -18.592   7.387   7.387
   29    HG   LEU   3           HG       LEU   3 -19.619   7.450   7.450
   30   1HD1  LEU   3          1HD1      LEU   3 -20.720   7.021   7.021
   31   2HD1  LEU   3          2HD1      LEU   3 -21.094   5.429   5.429
   32   3HD1  LEU   3          3HD1      LEU   3 -21.688   6.918   6.918
   33   1HD2  LEU   3          1HD2      LEU   3 -18.387   4.982   4.982
   34   2HD2  LEU   3          2HD2      LEU   3 -19.856   5.487   5.487
   35   3HD2  LEU   3          3HD2      LEU   3 -19.976   4.452   4.452
   36    H    LEU   4           H        LEU   4 -17.621   3.004   3.004
   37    HA   LEU   4           HA       LEU   4 -20.273   2.224   2.224
   38   1HB   LEU   4          1HB       LEU   4 -20.919   3.155   3.155
   39   2HB   LEU   4          2HB       LEU   4 -19.485   2.520   2.520
   40    HG   LEU   4           HG       LEU   4 -21.851   0.847   0.847
   41   1HD1  LEU   4          1HD1      LEU   4 -21.071   1.725   1.725
   42   2HD1  LEU   4          2HD1      LEU   4 -22.383   0.595   0.595
   43   3HD1  LEU   4          3HD1      LEU   4 -22.488   2.292   2.292
   44   1HD2  LEU   4          1HD2      LEU   4 -19.174   0.006   0.006
   45   2HD2  LEU   4          2HD2      LEU   4 -20.371  -0.938  -0.938
   46   3HD2  LEU   4          3HD2      LEU   4 -20.555  -0.727  -0.727
   47    H    SER   5           H        SER   5 -17.306   1.555   1.555
   48    HA   SER   5           HA       SER   5 -16.791  -0.841  -0.841
   49   1HB   SER   5          1HB       SER   5 -18.618  -1.862  -1.862
   50   2HB   SER   5          2HB       SER   5 -17.865  -1.380  -1.380
   51    HG   SER   5           HG       SER   5 -16.246  -2.862  -2.862
   52    H    SER   6           H        SER   6 -16.279  -0.400  -0.400
   53    HA   SER   6           HA       SER   6 -14.308   0.233   0.233
   54   1HB   SER   6          1HB       SER   6 -13.131   1.164   1.164
   55   2HB   SER   6          2HB       SER   6 -12.594   1.666   1.666
   56    HG   SER   6           HG       SER   6 -14.205   3.042   3.042
   57    H    ILE   7           H        ILE   7 -11.979  -0.170  -0.170
   58    HA   ILE   7           HA       ILE   7 -10.645  -2.256  -2.256
   59    HB   ILE   7           HB       ILE   7 -13.194  -3.315  -3.315
   60   1HG1  ILE   7          1HG1      ILE   7 -11.587  -4.137  -4.137
   61   2HG1  ILE   7          2HG1      ILE   7 -12.710  -5.257  -5.257
   62   1HG2  ILE   7          1HG2      ILE   7 -10.964  -4.534  -4.534
   63   2HG2  ILE   7          2HG2      ILE   7 -12.544  -5.300  -5.300
   64   3HG2  ILE   7          3HG2      ILE   7 -12.469  -3.763  -3.763
   65   1HD1  ILE   7          1HD1      ILE   7  -9.942  -5.224  -5.224
   66   2HD1  ILE   7          2HD1      ILE   7 -10.150  -5.987  -5.987
   67   3HD1  ILE   7          3HD1      ILE   7 -11.076  -6.572  -6.572
   68    H    GLU   8           H        GLU   8 -11.416  -0.875  -0.875
   69    HA   GLU   8           HA       GLU   8  -9.482  -1.923  -1.923
   70   1HB   GLU   8          1HB       GLU   8  -9.736   1.105   1.105
   71   2HB   GLU   8          2HB       GLU   8  -9.445   0.282   0.282
   72   1HG   GLU   8          1HG       GLU   8 -12.097   0.656   0.656
   73   2HG   GLU   8          2HG       GLU   8 -11.730   1.040   1.040
   74    H    GLN   9           H        GLN   9  -7.843  -2.838  -2.838
   75    HA   GLN   9           HA       GLN   9  -5.853  -1.305  -1.305
   76   1HB   GLN   9          1HB       GLN   9  -5.576  -3.597  -3.597
   77   2HB   GLN   9          2HB       GLN   9  -6.093  -4.004  -4.004
   78   1HG   GLN   9          1HG       GLN   9  -3.900  -4.142  -4.142
   79   2HG   GLN   9          2HG       GLN   9  -3.435  -2.628  -2.628
   80   1HE2  GLN   9          1HE2      GLN   9  -2.395  -4.639  -4.639
   81   2HE2  GLN   9          2HE2      GLN   9  -3.537  -3.218  -3.218
   82    H    ALA  10           H        ALA  10  -4.002  -0.387  -0.387
   83    HA   ALA  10           HA       ALA  10  -2.723  -0.602  -0.602
   84   1HB   ALA  10          1HB       ALA  10  -4.739   0.619   0.619
   85   2HB   ALA  10          2HB       ALA  10  -4.480   1.950   1.950
   86   3HB   ALA  10          3HB       ALA  10  -3.308   1.657   1.657
   87    H    CYS  11           H        CYS  11  -0.813   0.675   0.675
   88    HA   CYS  11           HA       CYS  11   0.232   1.030   1.030
   89   1HB   CYS  11          1HB       CYS  11   2.446   1.199   1.199
   90   2HB   CYS  11          2HB       CYS  11   1.521  -0.128  -0.128
   91    H    ASP  12           H        ASP  12   1.842   2.759   2.759
   92    HA   ASP  12           HA       ASP  12   0.320   5.265   5.265
   93   1HB   ASP  12          1HB       ASP  12   2.181   4.585   4.585
   94   2HB   ASP  12          2HB       ASP  12   3.365   4.885   4.885
   95    H    ILE  13           H        ILE  13   3.142   4.246   4.246
   96    HA   ILE  13           HA       ILE  13   3.620   6.772   6.772
   97    HB   ILE  13           HB       ILE  13   4.223   3.864   3.864
   98   1HG1  ILE  13          1HG1      ILE  13   5.885   4.880   4.880
   99   2HG1  ILE  13          2HG1      ILE  13   6.632   4.778   4.778
  100   1HG2  ILE  13          1HG2      ILE  13   3.677   4.783   4.783
  101   2HG2  ILE  13          2HG2      ILE  13   4.886   6.070   6.070
  102   3HG2  ILE  13          3HG2      ILE  13   5.363   4.359   4.359
  103   1HD1  ILE  13          1HD1      ILE  13   6.175   7.168   7.168
  104   2HD1  ILE  13          2HD1      ILE  13   5.403   7.373   7.373
  105   3HD1  ILE  13          3HD1      ILE  13   7.142   7.004   7.004
  106    H    CYS  14           H        CYS  14   1.190   4.460   4.460
  107    HA   CYS  14           HA       CYS  14   0.624   5.735   5.735
  108   1HB   CYS  14          1HB       CYS  14  -0.578   3.424   3.424
  109   2HB   CYS  14          2HB       CYS  14  -1.582   4.169   4.169
  110    H    ARG  15           H        ARG  15  -0.793   5.787   5.787
  111    HA   ARG  15           HA       ARG  15  -2.911   7.609   7.609
  112   1HB   ARG  15          1HB       ARG  15  -1.096   7.016   7.016
  113   2HB   ARG  15          2HB       ARG  15  -1.854   8.596   8.596
  114   1HG   ARG  15          1HG       ARG  15  -3.849   7.629   7.629
  115   2HG   ARG  15          2HG       ARG  15  -3.924   6.635   6.635
  116   1HD   ARG  15          1HD       ARG  15  -2.121   5.100   5.100
  117   2HD   ARG  15          2HD       ARG  15  -2.659   5.978   5.978
  118    HE   ARG  15           HE       ARG  15  -4.431   4.299   4.299
  119   1HH1  ARG  15          1HH1      ARG  15  -4.008   5.950   5.950
  120   2HH1  ARG  15          2HH1      ARG  15  -5.532   5.193   5.193
  121   1HH2  ARG  15          1HH2      ARG  15  -6.058   3.512   3.512
  122   2HH2  ARG  15          2HH2      ARG  15  -6.651   3.868   3.868
  123    H    LEU  16           H        LEU  16   0.418   8.513   8.513
  124    HA   LEU  16           HA       LEU  16  -0.212  11.409  11.409
  125   1HB   LEU  16          1HB       LEU  16   2.402   9.803   9.803
  126   2HB   LEU  16          2HB       LEU  16   2.406  11.552  11.552
  127    HG   LEU  16           HG       LEU  16   1.253  11.832  11.832
  128   1HD1  LEU  16          1HD1      LEU  16  -0.456  10.012  10.012
  129   2HD1  LEU  16          2HD1      LEU  16   0.780   8.771   8.771
  130   3HD1  LEU  16          3HD1      LEU  16   0.308   9.917   9.917
  131   1HD2  LEU  16          1HD2      LEU  16   3.338   9.557   9.557
  132   2HD2  LEU  16          2HD2      LEU  16   3.657  11.309  11.309
  133   3HD2  LEU  16          3HD2      LEU  16   2.729  10.572  10.572
  134    H    LYS  17           H        LYS  17   1.471   9.016   9.016
  135    HA   LYS  17           HA       LYS  17   2.411  11.107  11.107
  136   1HB   LYS  17          1HB       LYS  17   2.627   8.049   8.049
  137   2HB   LYS  17          2HB       LYS  17   2.976   8.789   8.789
  138   1HG   LYS  17          1HG       LYS  17   4.421  10.355  10.355
  139   2HG   LYS  17          2HG       LYS  17   4.658   8.662   8.662
  140   1HD   LYS  17          1HD       LYS  17   5.717   8.218   8.218
  141   2HD   LYS  17          2HD       LYS  17   5.085   9.715   9.715
  142   1HE   LYS  17          1HE       LYS  17   6.405  10.899  10.899
  143   2HE   LYS  17          2HE       LYS  17   7.358   9.407   9.407
  144   1HZ   LYS  17          1HZ       LYS  17   7.172   9.998   9.998
  145   2HZ   LYS  17          2HZ       LYS  17   7.284  11.526  11.526
  146   3HZ   LYS  17          3HZ       LYS  17   8.473  10.375  10.375
  147    H    LYS  18           H        LYS  18  -0.394   9.290   9.290
  148    HA   LYS  18           HA       LYS  18  -2.298   8.937   8.937
  149   1HB   LYS  18          1HB       LYS  18  -1.281  11.324  11.324
  150   2HB   LYS  18          2HB       LYS  18  -2.908  10.653  10.653
  151   1HG   LYS  18          1HG       LYS  18  -3.385  11.632  11.632
  152   2HG   LYS  18          2HG       LYS  18  -1.707  11.539  11.539
  153   1HD   LYS  18          1HD       LYS  18  -2.137  13.426  13.426
  154   2HD   LYS  18          2HD       LYS  18  -3.147  13.813  13.813
  155   1HE   LYS  18          1HE       LYS  18  -1.074  14.983  14.983
  156   2HE   LYS  18          2HE       LYS  18  -0.982  13.548  13.548
  157   1HZ   LYS  18          1HZ       LYS  18   0.138  12.475  12.475
  158   2HZ   LYS  18          2HZ       LYS  18   0.400  14.057  14.057
  159   3HZ   LYS  18          3HZ       LYS  18   1.025  13.531  13.531
  160    H    LEU  19           H        LEU  19  -1.164   7.050   7.050
  161    HA   LEU  19           HA       LEU  19  -0.745   6.720   6.720
  162   1HB   LEU  19          1HB       LEU  19   0.985   4.805   4.805
  163   2HB   LEU  19          2HB       LEU  19   1.423   6.030   6.030
  164    HG   LEU  19           HG       LEU  19   1.165   7.158   7.158
  165   1HD1  LEU  19          1HD1      LEU  19   2.334   4.511   4.511
  166   2HD1  LEU  19          2HD1      LEU  19   3.685   5.653   5.653
  167   3HD1  LEU  19          3HD1      LEU  19   2.378   5.622   5.622
  168   1HD2  LEU  19          1HD2      LEU  19   3.107   7.301   7.301
  169   2HD2  LEU  19          2HD2      LEU  19   2.398   8.614   8.614
  170   3HD2  LEU  19          3HD2      LEU  19   3.758   7.670   7.670
  171    H    LYS  20           H        LYS  20  -0.380   4.291   4.291
  172    HA   LYS  20           HA       LYS  20  -2.928   3.023   3.023
  173   1HB   LYS  20          1HB       LYS  20  -1.769   1.140   1.140
  174   2HB   LYS  20          2HB       LYS  20  -3.014   2.306   2.306
  175   1HG   LYS  20          1HG       LYS  20  -0.277   3.544   3.544
  176   2HG   LYS  20          2HG       LYS  20  -0.384   2.089   2.089
  177   1HD   LYS  20          1HD       LYS  20  -2.037   4.681   4.681
  178   2HD   LYS  20          2HD       LYS  20  -0.936   4.015   4.015
  179   1HE   LYS  20          1HE       LYS  20  -3.398   2.396   2.396
  180   2HE   LYS  20          2HE       LYS  20  -3.555   3.607   3.607
  181   1HZ   LYS  20          1HZ       LYS  20  -1.720   2.492   2.492
  182   2HZ   LYS  20          2HZ       LYS  20  -1.681   1.296   1.296
  183   3HZ   LYS  20          3HZ       LYS  20  -3.053   1.491   1.491
  184    H    CYS  21           H        CYS  21  -3.078   1.016   1.016
  185    HA   CYS  21           HA       CYS  21  -0.438  -0.022  -0.022
  186   1HB   CYS  21          1HB       CYS  21  -1.858   1.564   1.564
  187   2HB   CYS  21          2HB       CYS  21  -3.009   0.226   0.226
  188    H    SER  22           H        SER  22  -0.962  -1.388  -1.388
  189    HA   SER  22           HA       SER  22  -2.719  -3.574  -3.574
  190   1HB   SER  22          1HB       SER  22  -0.548  -5.045  -5.045
  191   2HB   SER  22          2HB       SER  22  -1.057  -3.796  -3.796
  192    HG   SER  22           HG       SER  22   1.231  -4.011  -4.011
  193    H    LYS  23           H        LYS  23  -0.373  -3.005  -3.005
  194    HA   LYS  23           HA       LYS  23  -0.843  -3.609  -3.609
  195   1HB   LYS  23          1HB       LYS  23  -2.802  -5.657  -5.657
  196   2HB   LYS  23          2HB       LYS  23  -2.524  -5.556  -5.556
  197   1HG   LYS  23          1HG       LYS  23  -3.720  -3.522  -3.522
  198   2HG   LYS  23          2HG       LYS  23  -3.207  -2.922  -2.922
  199   1HD   LYS  23          1HD       LYS  23  -4.975  -4.134  -4.134
  200   2HD   LYS  23          2HD       LYS  23  -5.186  -5.263  -5.263
  201   1HE   LYS  23          1HE       LYS  23  -5.677  -2.932  -2.932
  202   2HE   LYS  23          2HE       LYS  23  -6.157  -2.362  -2.362
  203   1HZ   LYS  23          1HZ       LYS  23  -7.466  -4.539  -4.539
  204   2HZ   LYS  23          2HZ       LYS  23  -7.262  -4.641  -4.641
  205   3HZ   LYS  23          3HZ       LYS  23  -8.060  -3.321  -3.321
  206    H    GLU  24           H        GLU  24   0.568  -5.417  -5.417
  207    HA   GLU  24           HA       GLU  24   1.535  -7.732  -7.732
  208   1HB   GLU  24          1HB       GLU  24   3.909  -6.972  -6.972
  209   2HB   GLU  24          2HB       GLU  24   2.604  -7.397  -7.397
  210   1HG   GLU  24          1HG       GLU  24   2.102  -4.813  -4.813
  211   2HG   GLU  24          2HG       GLU  24   3.608  -4.543  -4.543
  212    H    LYS  25           H        LYS  25   3.466  -8.241  -8.241
  213    HA   LYS  25           HA       LYS  25   4.052  -6.259  -6.259
  214   1HB   LYS  25          1HB       LYS  25   2.833  -9.083  -9.083
  215   2HB   LYS  25          2HB       LYS  25   3.629  -8.240  -8.240
  216   1HG   LYS  25          1HG       LYS  25   1.296  -6.936  -6.936
  217   2HG   LYS  25          2HG       LYS  25   1.000  -8.043  -8.043
  218   1HD   LYS  25          1HD       LYS  25   2.816  -5.580  -5.580
  219   2HD   LYS  25          2HD       LYS  25   1.050  -5.416  -5.416
  220   1HE   LYS  25          1HE       LYS  25   2.523  -7.507  -7.507
  221   2HE   LYS  25          2HE       LYS  25   2.255  -5.853  -5.853
  222   1HZ   LYS  25          1HZ       LYS  25  -0.171  -6.297  -6.297
  223   2HZ   LYS  25          2HZ       LYS  25   0.258  -7.918  -7.918
  224   3HZ   LYS  25          3HZ       LYS  25   0.376  -6.917  -6.917
  225    HA   PRO  26           HA       PRO  26   5.045  -6.670  -6.670
  226   1HB   PRO  26          1HB       PRO  26   7.374  -5.353  -5.353
  227   2HB   PRO  26          2HB       PRO  26   7.073  -7.165  -7.165
  228   1HG   PRO  26          1HG       PRO  26   8.399  -6.131  -6.131
  229   2HG   PRO  26          2HG       PRO  26   9.125  -7.116  -7.116
  230   1HD   PRO  26          1HD       PRO  26   8.072  -8.158  -8.158
  231   2HD   PRO  26          2HD       PRO  26   7.569  -8.893  -8.893
  232    H    LYS  27           H        LYS  27   7.215  -5.302  -5.302
  233    HA   LYS  27           HA       LYS  27   5.644  -2.679  -2.679
  234   1HB   LYS  27          1HB       LYS  27   7.610  -2.077  -2.077
  235   2HB   LYS  27          2HB       LYS  27   7.872  -1.983  -1.983
  236   1HG   LYS  27          1HG       LYS  27   8.377  -4.710  -4.710
  237   2HG   LYS  27          2HG       LYS  27   9.477  -3.429  -3.429
  238   1HD   LYS  27          1HD       LYS  27   9.024  -3.572  -3.572
  239   2HD   LYS  27          2HD       LYS  27   9.668  -5.076  -5.076
  240   1HE   LYS  27          1HE       LYS  27  10.940  -2.455  -2.455
  241   2HE   LYS  27          2HE       LYS  27  11.340  -2.999  -2.999
  242   1HZ   LYS  27          1HZ       LYS  27  11.758  -5.258  -5.258
  243   2HZ   LYS  27          2HZ       LYS  27  11.764  -4.444  -4.444
  244   3HZ   LYS  27          3HZ       LYS  27  12.881  -4.039  -4.039
  245    H    CYS  28           H        CYS  28   4.368  -2.001  -2.001
  246    HA   CYS  28           HA       CYS  28   3.500  -3.760  -3.760
  247   1HB   CYS  28          1HB       CYS  28   2.874  -1.464  -1.464
  248   2HB   CYS  28          2HB       CYS  28   2.027  -1.947  -1.947
  249    H    ALA  29           H        ALA  29   3.645  -2.867  -2.867
  250    HA   ALA  29           HA       ALA  29   6.419  -3.246  -3.246
  251   1HB   ALA  29          1HB       ALA  29   4.328  -3.680  -3.680
  252   2HB   ALA  29          2HB       ALA  29   3.941  -1.943  -1.943
  253   3HB   ALA  29          3HB       ALA  29   5.395  -2.525  -2.525
  254    H    LYS  30           H        LYS  30   4.334  -0.486  -0.486
  255    HA   LYS  30           HA       LYS  30   5.917   1.713   1.713
  256   1HB   LYS  30          1HB       LYS  30   3.669   1.260   1.260
  257   2HB   LYS  30          2HB       LYS  30   4.834   1.842   1.842
  258   1HG   LYS  30          1HG       LYS  30   3.160   3.462   3.462
  259   2HG   LYS  30          2HG       LYS  30   4.537   4.027   4.027
  260   1HD   LYS  30          1HD       LYS  30   5.375   4.809   4.809
  261   2HD   LYS  30          2HD       LYS  30   5.680   3.130   3.130
  262   1HE   LYS  30          1HE       LYS  30   2.831   3.524   3.524
  263   2HE   LYS  30          2HE       LYS  30   3.592   4.986   4.986
  264   1HZ   LYS  30          1HZ       LYS  30   5.115   3.578   3.578
  265   2HZ   LYS  30          2HZ       LYS  30   4.355   2.195   2.195
  266   3HZ   LYS  30          3HZ       LYS  30   3.508   3.276   3.276
  267    H    CYS  31           H        CYS  31   6.010   0.606   0.606
  268    HA   CYS  31           HA       CYS  31   8.249   2.368   2.368
  269   1HB   CYS  31          1HB       CYS  31   7.299  -0.136  -0.136
  270   2HB   CYS  31          2HB       CYS  31   8.307   1.152   1.152
  271    H    LEU  32           H        LEU  32   8.138  -0.995  -0.995
  272    HA   LEU  32           HA       LEU  32  11.017  -1.448  -1.448
  273   1HB   LEU  32          1HB       LEU  32   9.386  -3.360  -3.360
  274   2HB   LEU  32          2HB       LEU  32   9.018  -2.859  -2.859
  275    HG   LEU  32           HG       LEU  32  10.485  -4.946  -4.946
  276   1HD1  LEU  32          1HD1      LEU  32  10.319  -3.610  -3.610
  277   2HD1  LEU  32          2HD1      LEU  32  11.790  -2.745  -2.745
  278   3HD1  LEU  32          3HD1      LEU  32  11.846  -4.509  -4.509
  279   1HD2  LEU  32          1HD2      LEU  32  11.976  -3.968  -3.968
  280   2HD2  LEU  32          2HD2      LEU  32  12.914  -4.629  -4.629
  281   3HD2  LEU  32          3HD2      LEU  32  12.690  -2.871  -2.871
  282    H    LYS  33           H        LYS  33   9.244  -0.066  -0.066
  283    HA   LYS  33           HA       LYS  33  11.569  -0.252  -0.252
  284   1HB   LYS  33          1HB       LYS  33   8.852   1.240   1.240
  285   2HB   LYS  33          2HB       LYS  33  10.054   1.390   1.390
  286   1HG   LYS  33          1HG       LYS  33   8.549  -1.169  -1.169
  287   2HG   LYS  33          2HG       LYS  33   8.472  -0.357  -0.357
  288   1HD   LYS  33          1HD       LYS  33  11.232  -1.072  -1.072
  289   2HD   LYS  33          2HD       LYS  33  10.308  -2.441  -2.441
  290   1HE   LYS  33          1HE       LYS  33   9.679  -3.127  -3.127
  291   2HE   LYS  33          2HE       LYS  33   8.984  -1.541  -1.541
  292   1HZ   LYS  33          1HZ       LYS  33  11.222  -0.729  -0.729
  293   2HZ   LYS  33          2HZ       LYS  33  11.866  -2.252  -2.252
  294   3HZ   LYS  33          3HZ       LYS  33  10.792  -2.031  -2.031
  295    H    ASN  34           H        ASN  34  10.347   1.993   1.993
  296    HA   ASN  34           HA       ASN  34  12.511   3.980   3.980
  297   1HB   ASN  34          1HB       ASN  34   9.720   4.264   4.264
  298   2HB   ASN  34          2HB       ASN  34  10.902   5.476   5.476
  299   1HD2  ASN  34          1HD2      ASN  34   9.150   5.648   5.648
  300   2HD2  ASN  34          2HD2      ASN  34   8.980   4.118   4.118
  301    H    ASN  35           H        ASN  35  12.517   1.502   1.502
  302    HA   ASN  35           HA       ASN  35  13.022   0.977   0.977
  303   1HB   ASN  35          1HB       ASN  35  15.099   2.586   2.586
  304   2HB   ASN  35          2HB       ASN  35  15.090   3.023   3.023
  305   1HD2  ASN  35          1HD2      ASN  35  15.885  -0.891  -0.891
  306   2HD2  ASN  35          2HD2      ASN  35  14.303  -0.290  -0.290
  307    H    TRP  36           H        TRP  36  11.134   1.553   1.553
  308    HA   TRP  36           HA       TRP  36  11.263   4.166   4.166
  309   1HB   TRP  36          1HB       TRP  36   8.901   2.877   2.877
  310   2HB   TRP  36          2HB       TRP  36   8.595   4.015   4.015
  311    HD1  TRP  36           HD1      TRP  36  11.404   5.783   5.783
  312    HE1  TRP  36           HE1      TRP  36  11.013   7.590   7.590
  313    HE3  TRP  36           HE3      TRP  36   7.045   3.814   3.814
  314    HZ2  TRP  36           HZ2      TRP  36   8.914   7.981   7.981
  315    HZ3  TRP  36           HZ3      TRP  36   5.969   4.847   4.847
  316    HH2  TRP  36           HH2      TRP  36   6.846   6.933   6.933
  317    H    GLU  37           H        GLU  37   9.495   4.056   4.056
  318    HA   GLU  37           HA       GLU  37   9.911   1.333   1.333
  319   1HB   GLU  37          1HB       GLU  37  10.840   3.693   3.693
  320   2HB   GLU  37          2HB       GLU  37   9.201   3.932   3.932
  321   1HG   GLU  37          1HG       GLU  37   9.326   2.031   2.031
  322   2HG   GLU  37          2HG       GLU  37  10.760   1.380   1.380
  323    H    CYS  38           H        CYS  38   8.072   1.094   1.094
  324    HA   CYS  38           HA       CYS  38   5.409   1.650   1.650
  325   1HB   CYS  38          1HB       CYS  38   6.443  -0.188  -0.188
  326   2HB   CYS  38          2HB       CYS  38   6.428  -1.284  -1.284
  327    H    ARG  39           H        ARG  39   4.466   2.188   2.188
  328    HA   ARG  39           HA       ARG  39   4.548   0.318   0.318
  329   1HB   ARG  39          1HB       ARG  39   3.670   3.213   3.213
  330   2HB   ARG  39          2HB       ARG  39   2.806   2.331   2.331
  331   1HG   ARG  39          1HG       ARG  39   5.475   3.605   3.605
  332   2HG   ARG  39          2HG       ARG  39   4.488   2.976   2.976
  333   1HD   ARG  39          1HD       ARG  39   6.260   1.162   1.162
  334   2HD   ARG  39          2HD       ARG  39   6.841   1.940   1.940
  335    HE   ARG  39           HE       ARG  39   4.262   0.446   0.446
  336   1HH1  ARG  39          1HH1      ARG  39   7.713   0.238   0.238
  337   2HH1  ARG  39          2HH1      ARG  39   7.600  -1.215  -1.215
  338   1HH2  ARG  39          1HH2      ARG  39   4.219  -1.123  -1.123
  339   2HH2  ARG  39          2HH2      ARG  39   5.703  -1.960  -1.960
  340    H    TYR  40           H        TYR  40   2.801  -0.640  -0.640
  341    HA   TYR  40           HA       TYR  40   0.229  -0.578  -0.578
  342   1HB   TYR  40          1HB       TYR  40   2.035  -3.001  -3.001
  343   2HB   TYR  40          2HB       TYR  40   0.317  -3.270  -3.270
  344    HD1  TYR  40           HD1      TYR  40   3.157  -2.668  -2.668
  345    HD2  TYR  40           HD2      TYR  40  -1.129  -3.006  -3.006
  346    HE1  TYR  40           HE1      TYR  40   3.084  -3.129  -3.129
  347    HE2  TYR  40           HE2      TYR  40  -1.130  -3.838  -3.838
  348    HH   TYR  40           HH       TYR  40   0.092  -4.179  -4.179
  349    H    SER  41           H        SER  41  -1.561  -1.655  -1.655
  350    HA   SER  41           HA       SER  41  -1.787  -0.999  -0.999
  351   1HB   SER  41          1HB       SER  41  -3.112  -3.284  -3.284
  352   2HB   SER  41          2HB       SER  41  -3.528  -2.984  -2.984
  353    HG   SER  41           HG       SER  41  -4.116  -0.818  -0.818
  354    HA   PRO  42           HA       PRO  42   0.317  -3.410  -3.410
  355   1HB   PRO  42          1HB       PRO  42  -1.647  -5.388  -5.388
  356   2HB   PRO  42          2HB       PRO  42  -1.243  -3.744  -3.744
  357   1HG   PRO  42          1HG       PRO  42  -3.394  -4.355  -4.355
  358   2HG   PRO  42          2HG       PRO  42  -3.419  -3.359  -3.359
  359   1HD   PRO  42          1HD       PRO  42  -3.236  -2.394  -2.394
  360   2HD   PRO  42          2HD       PRO  42  -2.169  -1.690  -1.690
  361    H    LYS  43           H        LYS  43  -1.834  -6.055  -6.055
  362    HA   LYS  43           HA       LYS  43   0.546  -7.524  -7.524
  363   1HB   LYS  43          1HB       LYS  43   0.267  -7.733  -7.733
  364   2HB   LYS  43          2HB       LYS  43  -0.930  -8.944  -8.944
  365   1HG   LYS  43          1HG       LYS  43   0.714 -10.392 -10.392
  366   2HG   LYS  43          2HG       LYS  43   1.841  -9.072  -9.072
  367   1HD   LYS  43          1HD       LYS  43   1.149  -9.877  -9.877
  368   2HD   LYS  43          2HD       LYS  43   2.222 -10.918 -10.918
  369   1HE   LYS  43          1HE       LYS  43   3.593  -8.750  -8.750
  370   2HE   LYS  43          2HE       LYS  43   2.671  -7.920  -7.920
  371   1HZ   LYS  43          1HZ       LYS  43   3.348  -9.870  -9.870
  372   2HZ   LYS  43          2HZ       LYS  43   4.492 -10.230 -10.230
  373   3HZ   LYS  43          3HZ       LYS  43   4.527  -8.740  -8.740

  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -15.929  -5.862  -5.862
    2   2H    MET   1          2H        MET   1 -17.180  -5.325  -5.325
    3   3H    MET   1          3H        MET   1 -16.661  -6.921  -6.921
    4    HA   MET   1           HA       MET   1 -15.748  -5.986  -5.986
    5   1HB   MET   1          1HB       MET   1 -14.637  -3.764  -3.764
    6   2HB   MET   1          2HB       MET   1 -16.308  -3.637  -3.637
    7   1HG   MET   1          1HG       MET   1 -13.955  -3.616  -3.616
    8   2HG   MET   1          2HG       MET   1 -14.624  -2.166  -2.166
    9   1HE   MET   1          1HE       MET   1 -14.287  -3.590  -3.590
   10   2HE   MET   1          2HE       MET   1 -15.842  -3.725  -3.725
   11   3HE   MET   1          3HE       MET   1 -15.315  -5.041  -5.041
   12    H    LYS   2           H        LYS   2 -14.111  -5.377  -5.377
   13    HA   LYS   2           HA       LYS   2 -11.910  -5.999  -5.999
   14   1HB   LYS   2          1HB       LYS   2 -13.540  -8.161  -8.161
   15   2HB   LYS   2          2HB       LYS   2 -12.462  -8.676  -8.676
   16   1HG   LYS   2          1HG       LYS   2 -10.687  -9.128  -9.128
   17   2HG   LYS   2          2HG       LYS   2 -11.041  -7.735  -7.735
   18   1HD   LYS   2          1HD       LYS   2 -12.732 -10.317 -10.317
   19   2HD   LYS   2          2HD       LYS   2 -11.315 -10.110 -10.110
   20   1HE   LYS   2          1HE       LYS   2 -12.359  -7.967  -7.967
   21   2HE   LYS   2          2HE       LYS   2 -13.816  -8.259  -8.259
   22   1HZ   LYS   2          1HZ       LYS   2 -13.225 -10.661 -10.661
   23   2HZ   LYS   2          2HZ       LYS   2 -13.062  -9.454  -9.454
   24   3HZ   LYS   2          3HZ       LYS   2 -14.502  -9.610  -9.610
   25    H    LEU   3           H        LEU   3 -11.985  -4.742  -4.742
   26    HA   LEU   3           HA       LEU   3  -9.099  -5.393  -5.393
   27   1HB   LEU   3          1HB       LEU   3  -9.315  -5.683  -5.683
   28   2HB   LEU   3          2HB       LEU   3 -10.006  -7.012  -7.012
   29    HG   LEU   3           HG       LEU   3 -12.327  -6.069  -6.069
   30   1HD1  LEU   3          1HD1      LEU   3 -10.761  -4.080  -4.080
   31   2HD1  LEU   3          2HD1      LEU   3 -12.514  -4.360  -4.360
   32   3HD1  LEU   3          3HD1      LEU   3 -11.835  -3.697  -3.697
   33   1HD2  LEU   3          1HD2      LEU   3 -10.669  -7.592  -7.592
   34   2HD2  LEU   3          2HD2      LEU   3 -12.425  -7.442  -7.442
   35   3HD2  LEU   3          3HD2      LEU   3 -11.378  -6.360  -6.360
   36    H    LEU   4           H        LEU   4 -10.086  -3.288  -3.288
   37    HA   LEU   4           HA       LEU   4  -9.810  -0.933  -0.933
   38   1HB   LEU   4          1HB       LEU   4  -8.411  -1.131  -1.131
   39   2HB   LEU   4          2HB       LEU   4  -9.886  -1.038  -1.038
   40    HG   LEU   4           HG       LEU   4 -10.347   1.252   1.252
   41   1HD1  LEU   4          1HD1      LEU   4  -7.398   0.899   0.899
   42   2HD1  LEU   4          2HD1      LEU   4  -8.288   2.441   2.441
   43   3HD1  LEU   4          3HD1      LEU   4  -8.812   1.106   1.106
   44   1HD2  LEU   4          1HD2      LEU   4  -8.116   0.672   0.672
   45   2HD2  LEU   4          2HD2      LEU   4  -9.669   1.517   1.517
   46   3HD2  LEU   4          3HD2      LEU   4  -8.315   2.329   2.329
   47    H    SER   5           H        SER   5 -11.720  -1.337  -1.337
   48    HA   SER   5           HA       SER   5 -14.299  -1.166  -1.166
   49   1HB   SER   5          1HB       SER   5 -13.150   1.163   1.163
   50   2HB   SER   5          2HB       SER   5 -13.574   1.669   1.669
   51    HG   SER   5           HG       SER   5 -15.741   0.505   0.505
   52    H    SER   6           H        SER   6 -12.976   0.874   0.874
   53    HA   SER   6           HA       SER   6 -13.781  -0.833  -0.833
   54   1HB   SER   6          1HB       SER   6 -16.107   0.257   0.257
   55   2HB   SER   6          2HB       SER   6 -16.038   1.054   1.054
   56    HG   SER   6           HG       SER   6 -15.506  -1.609  -1.609
   57    H    ILE   7           H        ILE   7 -12.407  -0.200  -0.200
   58    HA   ILE   7           HA       ILE   7 -13.037   2.178   2.178
   59    HB   ILE   7           HB       ILE   7 -12.082   3.563   3.563
   60   1HG1  ILE   7          1HG1      ILE   7  -9.741   4.265   4.265
   61   2HG1  ILE   7          2HG1      ILE   7 -10.450   3.233   3.233
   62   1HG2  ILE   7          1HG2      ILE   7 -10.419   1.656   1.656
   63   2HG2  ILE   7          2HG2      ILE   7  -9.234   2.419   2.419
   64   3HG2  ILE   7          3HG2      ILE   7 -10.073   3.388   3.388
   65   1HD1  ILE   7          1HD1      ILE   7 -12.671   4.679   4.679
   66   2HD1  ILE   7          2HD1      ILE   7 -11.587   5.865   5.865
   67   3HD1  ILE   7          3HD1      ILE   7 -11.292   5.329   5.329
   68    H    GLU   8           H        GLU   8  -9.894   0.970   0.970
   69    HA   GLU   8           HA       GLU   8  -9.800  -1.386  -1.386
   70   1HB   GLU   8          1HB       GLU   8 -10.593  -0.489  -0.489
   71   2HB   GLU   8          2HB       GLU   8  -9.660   0.979   0.979
   72   1HG   GLU   8          1HG       GLU   8  -7.509  -0.424  -0.424
   73   2HG   GLU   8          2HG       GLU   8  -8.511  -1.826  -1.826
   74    H    GLN   9           H        GLN   9  -8.133  -2.114  -2.114
   75    HA   GLN   9           HA       GLN   9  -5.998  -0.521  -0.521
   76   1HB   GLN   9          1HB       GLN   9  -5.379  -2.549  -2.549
   77   2HB   GLN   9          2HB       GLN   9  -6.724  -3.243  -3.243
   78   1HG   GLN   9          1HG       GLN   9  -4.634  -3.167  -3.167
   79   2HG   GLN   9          2HG       GLN   9  -3.762  -3.512  -3.512
   80   1HE2  GLN   9          1HE2      GLN   9  -5.461  -6.808  -6.808
   81   2HE2  GLN   9          2HE2      GLN   9  -5.020  -5.406  -5.406
   82    H    ALA  10           H        ALA  10  -3.799  -0.409  -0.409
   83    HA   ALA  10           HA       ALA  10  -2.616  -0.614  -0.614
   84   1HB   ALA  10          1HB       ALA  10  -4.625   0.585   0.585
   85   2HB   ALA  10          2HB       ALA  10  -4.342   1.965   1.965
   86   3HB   ALA  10          3HB       ALA  10  -3.182   1.595   1.595
   87    H    CYS  11           H        CYS  11  -0.681   0.621   0.621
   88    HA   CYS  11           HA       CYS  11   0.364   1.044   1.044
   89   1HB   CYS  11          1HB       CYS  11   2.573   1.146   1.146
   90   2HB   CYS  11          2HB       CYS  11   1.628  -0.151  -0.151
   91    H    ASP  12           H        ASP  12   1.984   2.756   2.756
   92    HA   ASP  12           HA       ASP  12   0.444   5.257   5.257
   93   1HB   ASP  12          1HB       ASP  12   2.353   4.316   4.316
   94   2HB   ASP  12          2HB       ASP  12   3.466   5.111   5.111
   95    H    ILE  13           H        ILE  13   3.201   4.151   4.151
   96    HA   ILE  13           HA       ILE  13   3.811   6.720   6.720
   97    HB   ILE  13           HB       ILE  13   4.337   3.804   3.804
   98   1HG1  ILE  13          1HG1      ILE  13   6.030   4.652   4.652
   99   2HG1  ILE  13          2HG1      ILE  13   6.773   4.677   4.677
  100   1HG2  ILE  13          1HG2      ILE  13   3.806   4.861   4.861
  101   2HG2  ILE  13          2HG2      ILE  13   5.070   6.078   6.078
  102   3HG2  ILE  13          3HG2      ILE  13   5.522   4.400   4.400
  103   1HD1  ILE  13          1HD1      ILE  13   6.020   7.188   7.188
  104   2HD1  ILE  13          2HD1      ILE  13   5.840   7.108   7.108
  105   3HD1  ILE  13          3HD1      ILE  13   7.423   6.799   6.799
  106    H    CYS  14           H        CYS  14   1.335   4.440   4.440
  107    HA   CYS  14           HA       CYS  14   0.712   5.726   5.726
  108   1HB   CYS  14          1HB       CYS  14  -0.550   3.479   3.479
  109   2HB   CYS  14          2HB       CYS  14  -1.490   4.209   4.209
  110    H    ARG  15           H        ARG  15  -0.477   5.857   5.857
  111    HA   ARG  15           HA       ARG  15  -2.566   7.746   7.746
  112   1HB   ARG  15          1HB       ARG  15  -0.409   8.198   8.198
  113   2HB   ARG  15          2HB       ARG  15  -2.143   8.417   8.417
  114   1HG   ARG  15          1HG       ARG  15  -2.147   5.689   5.689
  115   2HG   ARG  15          2HG       ARG  15  -0.490   5.835   5.835
  116   1HD   ARG  15          1HD       ARG  15  -1.990   5.327   5.327
  117   2HD   ARG  15          2HD       ARG  15  -1.352   6.978   6.978
  118    HE   ARG  15           HE       ARG  15  -3.850   6.985   6.985
  119   1HH1  ARG  15          1HH1      ARG  15  -2.689   6.812   6.812
  120   2HH1  ARG  15          2HH1      ARG  15  -4.265   7.493   7.493
  121   1HH2  ARG  15          1HH2      ARG  15  -5.523   7.716   7.716
  122   2HH2  ARG  15          2HH2      ARG  15  -5.808   7.986   7.986
  123    H    LEU  16           H        LEU  16   0.874   8.537   8.537
  124    HA   LEU  16           HA       LEU  16   0.328  11.443  11.443
  125   1HB   LEU  16          1HB       LEU  16   2.942   9.805   9.805
  126   2HB   LEU  16          2HB       LEU  16   2.919  11.557  11.557
  127    HG   LEU  16           HG       LEU  16   1.486  10.972  10.972
  128   1HD1  LEU  16          1HD1      LEU  16   2.206   8.508   8.508
  129   2HD1  LEU  16          2HD1      LEU  16   3.890   9.020   9.020
  130   3HD1  LEU  16          3HD1      LEU  16   2.752   9.269   9.269
  131   1HD2  LEU  16          1HD2      LEU  16   3.289  12.726  12.726
  132   2HD2  LEU  16          2HD2      LEU  16   3.521  11.844  11.844
  133   3HD2  LEU  16          3HD2      LEU  16   4.527  11.462  11.462
  134    H    LYS  17           H        LYS  17   1.748   9.077   9.077
  135    HA   LYS  17           HA       LYS  17   2.252  11.216  11.216
  136   1HB   LYS  17          1HB       LYS  17   2.537   8.135   8.135
  137   2HB   LYS  17          2HB       LYS  17   2.876   9.119   9.119
  138   1HG   LYS  17          1HG       LYS  17   4.863   8.447   8.447
  139   2HG   LYS  17          2HG       LYS  17   4.853  10.039  10.039
  140   1HD   LYS  17          1HD       LYS  17   3.826  10.967  10.967
  141   2HD   LYS  17          2HD       LYS  17   3.844   9.337   9.337
  142   1HE   LYS  17          1HE       LYS  17   6.387   9.216   9.216
  143   2HE   LYS  17          2HE       LYS  17   6.352  10.904  10.904
  144   1HZ   LYS  17          1HZ       LYS  17   4.991  11.018  11.018
  145   2HZ   LYS  17          2HZ       LYS  17   6.139   9.837   9.837
  146   3HZ   LYS  17          3HZ       LYS  17   6.628  11.358  11.358
  147    H    LYS  18           H        LYS  18  -0.336   9.240   9.240
  148    HA   LYS  18           HA       LYS  18  -2.365   8.668   8.668
  149   1HB   LYS  18          1HB       LYS  18  -1.689  11.295  11.295
  150   2HB   LYS  18          2HB       LYS  18  -2.968  10.263  10.263
  151   1HG   LYS  18          1HG       LYS  18  -3.973  10.274  10.274
  152   2HG   LYS  18          2HG       LYS  18  -2.802  11.539  11.539
  153   1HD   LYS  18          1HD       LYS  18  -3.942  13.106  13.106
  154   2HD   LYS  18          2HD       LYS  18  -4.764  11.822  11.822
  155   1HE   LYS  18          1HE       LYS  18  -6.268  13.012  13.012
  156   2HE   LYS  18          2HE       LYS  18  -6.234  11.246  11.246
  157   1HZ   LYS  18          1HZ       LYS  18  -4.113  12.560  12.560
  158   2HZ   LYS  18          2HZ       LYS  18  -5.660  12.947  12.947
  159   3HZ   LYS  18          3HZ       LYS  18  -5.168  11.340  11.340
  160    H    LEU  19           H        LEU  19  -1.227   6.846   6.846
  161    HA   LEU  19           HA       LEU  19  -0.772   6.437   6.437
  162   1HB   LEU  19          1HB       LEU  19   0.853   5.437   5.437
  163   2HB   LEU  19          2HB       LEU  19   0.770   4.433   4.433
  164    HG   LEU  19           HG       LEU  19   2.336   5.642   5.642
  165   1HD1  LEU  19          1HD1      LEU  19   0.763   7.554   7.554
  166   2HD1  LEU  19          2HD1      LEU  19   1.154   8.269   8.269
  167   3HD1  LEU  19          3HD1      LEU  19   2.406   8.156   8.156
  168   1HD2  LEU  19          1HD2      LEU  19   2.718   6.841   6.841
  169   2HD2  LEU  19          2HD2      LEU  19   3.530   5.420   5.420
  170   3HD2  LEU  19          3HD2      LEU  19   3.905   7.040   7.040
  171    H    LYS  20           H        LYS  20  -1.048   4.274   4.274
  172    HA   LYS  20           HA       LYS  20  -3.377   2.966   2.966
  173   1HB   LYS  20          1HB       LYS  20  -1.923   2.113   2.113
  174   2HB   LYS  20          2HB       LYS  20  -3.432   1.432   1.432
  175   1HG   LYS  20          1HG       LYS  20  -3.939   4.265   4.265
  176   2HG   LYS  20          2HG       LYS  20  -2.943   3.967   3.967
  177   1HD   LYS  20          1HD       LYS  20  -5.665   3.778   3.778
  178   2HD   LYS  20          2HD       LYS  20  -4.673   2.831   2.831
  179   1HE   LYS  20          1HE       LYS  20  -5.320   1.753   1.753
  180   2HE   LYS  20          2HE       LYS  20  -6.436   1.488   1.488
  181   1HZ   LYS  20          1HZ       LYS  20  -3.962   0.884   0.884
  182   2HZ   LYS  20          2HZ       LYS  20  -3.931   0.236   0.236
  183   3HZ   LYS  20          3HZ       LYS  20  -5.150  -0.206  -0.206
  184    H    CYS  21           H        CYS  21  -3.413   1.129   1.129
  185    HA   CYS  21           HA       CYS  21  -0.623   0.017   0.017
  186   1HB   CYS  21          1HB       CYS  21  -1.929   1.560   1.560
  187   2HB   CYS  21          2HB       CYS  21  -2.979   0.160   0.160
  188    H    SER  22           H        SER  22  -1.152  -1.449  -1.449
  189    HA   SER  22           HA       SER  22  -2.870  -3.664  -3.664
  190   1HB   SER  22          1HB       SER  22  -0.823  -5.151  -5.151
  191   2HB   SER  22          2HB       SER  22  -1.144  -3.787  -3.787
  192    HG   SER  22           HG       SER  22   0.533  -3.226  -3.226
  193    H    LYS  23           H        LYS  23  -0.340  -3.042  -3.042
  194    HA   LYS  23           HA       LYS  23  -0.654  -3.487  -3.487
  195   1HB   LYS  23          1HB       LYS  23  -2.844  -5.461  -5.461
  196   2HB   LYS  23          2HB       LYS  23  -2.399  -5.286  -5.286
  197   1HG   LYS  23          1HG       LYS  23  -2.836  -2.588  -2.588
  198   2HG   LYS  23          2HG       LYS  23  -3.993  -3.437  -3.437
  199   1HD   LYS  23          1HD       LYS  23  -4.302  -4.553  -4.553
  200   2HD   LYS  23          2HD       LYS  23  -4.034  -2.815  -2.815
  201   1HE   LYS  23          1HE       LYS  23  -6.522  -3.511  -3.511
  202   2HE   LYS  23          2HE       LYS  23  -5.916  -2.170  -2.170
  203   1HZ   LYS  23          1HZ       LYS  23  -5.872  -5.013  -5.013
  204   2HZ   LYS  23          2HZ       LYS  23  -7.054  -3.892  -3.892
  205   3HZ   LYS  23          3HZ       LYS  23  -5.465  -3.667  -3.667
  206    H    GLU  24           H        GLU  24   0.567  -5.422  -5.422
  207    HA   GLU  24           HA       GLU  24   1.448  -7.744  -7.744
  208   1HB   GLU  24          1HB       GLU  24   3.846  -7.174  -7.174
  209   2HB   GLU  24          2HB       GLU  24   2.514  -7.565  -7.565
  210   1HG   GLU  24          1HG       GLU  24   2.201  -5.149  -5.149
  211   2HG   GLU  24          2HG       GLU  24   3.381  -4.646  -4.646
  212    H    LYS  25           H        LYS  25   3.388  -8.280  -8.280
  213    HA   LYS  25           HA       LYS  25   3.928  -6.267  -6.267
  214   1HB   LYS  25          1HB       LYS  25   2.774  -9.116  -9.116
  215   2HB   LYS  25          2HB       LYS  25   3.329  -8.090  -8.090
  216   1HG   LYS  25          1HG       LYS  25   1.372  -6.808  -6.808
  217   2HG   LYS  25          2HG       LYS  25   1.359  -6.686  -6.686
  218   1HD   LYS  25          1HD       LYS  25  -0.227  -8.346  -8.346
  219   2HD   LYS  25          2HD       LYS  25   0.692  -9.434  -9.434
  220   1HE   LYS  25          1HE       LYS  25  -0.302  -8.612  -8.612
  221   2HE   LYS  25          2HE       LYS  25  -0.608  -7.000  -7.000
  222   1HZ   LYS  25          1HZ       LYS  25  -2.226  -8.149  -8.149
  223   2HZ   LYS  25          2HZ       LYS  25  -2.097  -9.499  -9.499
  224   3HZ   LYS  25          3HZ       LYS  25  -2.669  -8.046  -8.046
  225    HA   PRO  26           HA       PRO  26   4.900  -6.334  -6.334
  226   1HB   PRO  26          1HB       PRO  26   7.241  -4.985  -4.985
  227   2HB   PRO  26          2HB       PRO  26   6.891  -6.705  -6.705
  228   1HG   PRO  26          1HG       PRO  26   8.305  -6.074  -6.074
  229   2HG   PRO  26          2HG       PRO  26   8.965  -6.876  -6.876
  230   1HD   PRO  26          1HD       PRO  26   7.939  -8.179  -8.179
  231   2HD   PRO  26          2HD       PRO  26   7.395  -8.698  -8.698
  232    H    LYS  27           H        LYS  27   7.202  -5.335  -5.335
  233    HA   LYS  27           HA       LYS  27   5.754  -2.645  -2.645
  234   1HB   LYS  27          1HB       LYS  27   8.353  -3.336  -3.336
  235   2HB   LYS  27          2HB       LYS  27   7.764  -1.750  -1.750
  236   1HG   LYS  27          1HG       LYS  27   8.792  -1.904  -1.904
  237   2HG   LYS  27          2HG       LYS  27   8.019  -3.453  -3.453
  238   1HD   LYS  27          1HD       LYS  27   9.941  -4.636  -4.636
  239   2HD   LYS  27          2HD       LYS  27  10.366  -3.495  -3.495
  240   1HE   LYS  27          1HE       LYS  27  11.764  -2.308  -2.308
  241   2HE   LYS  27          2HE       LYS  27  10.452  -2.034  -2.034
  242   1HZ   LYS  27          1HZ       LYS  27  11.611  -4.725  -4.725
  243   2HZ   LYS  27          2HZ       LYS  27  12.540  -3.493  -3.493
  244   3HZ   LYS  27          3HZ       LYS  27  11.019  -3.835  -3.835
  245    H    CYS  28           H        CYS  28   4.527  -2.028  -2.028
  246    HA   CYS  28           HA       CYS  28   3.623  -3.830  -3.830
  247   1HB   CYS  28          1HB       CYS  28   2.937  -1.551  -1.551
  248   2HB   CYS  28          2HB       CYS  28   2.150  -2.023  -2.023
  249    H    ALA  29           H        ALA  29   3.719  -2.863  -2.863
  250    HA   ALA  29           HA       ALA  29   6.438  -3.248  -3.248
  251   1HB   ALA  29          1HB       ALA  29   4.299  -3.487  -3.487
  252   2HB   ALA  29          2HB       ALA  29   3.993  -1.740  -1.740
  253   3HB   ALA  29          3HB       ALA  29   5.397  -2.328  -2.328
  254    H    LYS  30           H        LYS  30   4.511  -0.413  -0.413
  255    HA   LYS  30           HA       LYS  30   6.264   1.642   1.642
  256   1HB   LYS  30          1HB       LYS  30   3.864   1.529   1.529
  257   2HB   LYS  30          2HB       LYS  30   4.918   2.017   2.017
  258   1HG   LYS  30          1HG       LYS  30   3.730   3.702   3.702
  259   2HG   LYS  30          2HG       LYS  30   4.775   4.195   4.195
  260   1HD   LYS  30          1HD       LYS  30   6.056   4.998   4.998
  261   2HD   LYS  30          2HD       LYS  30   6.682   3.339   3.339
  262   1HE   LYS  30          1HE       LYS  30   4.114   3.428   3.428
  263   2HE   LYS  30          2HE       LYS  30   5.150   4.726   4.726
  264   1HZ   LYS  30          1HZ       LYS  30   6.881   2.642   2.642
  265   2HZ   LYS  30          2HZ       LYS  30   5.476   1.886   1.886
  266   3HZ   LYS  30          3HZ       LYS  30   6.152   3.135   3.135
  267    H    CYS  31           H        CYS  31   6.085   0.777   0.777
  268    HA   CYS  31           HA       CYS  31   8.383   2.404   2.404
  269   1HB   CYS  31          1HB       CYS  31   7.419  -0.119  -0.119
  270   2HB   CYS  31          2HB       CYS  31   8.350   1.204   1.204
  271    H    LEU  32           H        LEU  32   8.172  -0.904  -0.904
  272    HA   LEU  32           HA       LEU  32  11.020  -1.512  -1.512
  273   1HB   LEU  32          1HB       LEU  32   9.072  -3.188  -3.188
  274   2HB   LEU  32          2HB       LEU  32   9.292  -2.665  -2.665
  275    HG   LEU  32           HG       LEU  32  11.239  -4.273  -4.273
  276   1HD1  LEU  32          1HD1      LEU  32   9.362  -5.485  -5.485
  277   2HD1  LEU  32          2HD1      LEU  32  10.079  -4.915  -4.915
  278   3HD1  LEU  32          3HD1      LEU  32  11.003  -6.013  -6.013
  279   1HD2  LEU  32          1HD2      LEU  32  12.523  -2.486  -2.486
  280   2HD2  LEU  32          2HD2      LEU  32  12.923  -4.131  -4.131
  281   3HD2  LEU  32          3HD2      LEU  32  11.840  -3.099  -3.099
  282    H    LYS  33           H        LYS  33   9.357   0.055   0.055
  283    HA   LYS  33           HA       LYS  33  11.724   0.029   0.029
  284   1HB   LYS  33          1HB       LYS  33   9.131   1.735   1.735
  285   2HB   LYS  33          2HB       LYS  33  10.366   1.984   1.984
  286   1HG   LYS  33          1HG       LYS  33   8.971  -0.753  -0.753
  287   2HG   LYS  33          2HG       LYS  33   8.368   0.465   0.465
  288   1HD   LYS  33          1HD       LYS  33  11.050   0.184   0.184
  289   2HD   LYS  33          2HD       LYS  33  10.686  -1.444  -1.444
  290   1HE   LYS  33          1HE       LYS  33   8.522  -1.453  -1.453
  291   2HE   LYS  33          2HE       LYS  33   9.002   0.099   0.099
  292   1HZ   LYS  33          1HZ       LYS  33  10.930  -2.135  -2.135
  293   2HZ   LYS  33          2HZ       LYS  33   9.681  -2.095  -2.095
  294   3HZ   LYS  33          3HZ       LYS  33  10.789  -0.829  -0.829
  295    H    ASN  34           H        ASN  34  10.546   1.970   1.970
  296    HA   ASN  34           HA       ASN  34  12.556   4.175   4.175
  297   1HB   ASN  34          1HB       ASN  34   9.967   4.205   4.205
  298   2HB   ASN  34          2HB       ASN  34  10.932   5.621   5.621
  299   1HD2  ASN  34          1HD2      ASN  34   9.011   6.149   6.149
  300   2HD2  ASN  34          2HD2      ASN  34   9.940   6.863   6.863
  301    H    ASN  35           H        ASN  35  12.523   1.538   1.538
  302    HA   ASN  35           HA       ASN  35  13.164   1.016   1.016
  303   1HB   ASN  35          1HB       ASN  35  15.398   1.523   1.523
  304   2HB   ASN  35          2HB       ASN  35  15.086   3.242   3.242
  305   1HD2  ASN  35          1HD2      ASN  35  15.596   2.373   2.373
  306   2HD2  ASN  35          2HD2      ASN  35  14.212   1.561   1.561
  307    H    TRP  36           H        TRP  36  11.175   1.611   1.611
  308    HA   TRP  36           HA       TRP  36  11.220   4.212   4.212
  309   1HB   TRP  36          1HB       TRP  36   9.053   2.891   2.891
  310   2HB   TRP  36          2HB       TRP  36   8.543   3.963   3.963
  311    HD1  TRP  36           HD1      TRP  36  11.479   5.799   5.799
  312    HE1  TRP  36           HE1      TRP  36  11.113   7.728   7.728
  313    HE3  TRP  36           HE3      TRP  36   7.213   3.887   3.887
  314    HZ2  TRP  36           HZ2      TRP  36   9.064   8.207   8.207
  315    HZ3  TRP  36           HZ3      TRP  36   6.103   5.091   5.091
  316    HH2  TRP  36           HH2      TRP  36   7.027   7.200   7.200
  317    H    GLU  37           H        GLU  37   9.277   4.149   4.149
  318    HA   GLU  37           HA       GLU  37   9.629   1.523   1.523
  319   1HB   GLU  37          1HB       GLU  37  10.361   3.903   3.903
  320   2HB   GLU  37          2HB       GLU  37   8.659   4.244   4.244
  321   1HG   GLU  37          1HG       GLU  37   8.436   2.821   2.821
  322   2HG   GLU  37          2HG       GLU  37   9.651   1.690   1.690
  323    H    CYS  38           H        CYS  38   7.981   0.999   0.999
  324    HA   CYS  38           HA       CYS  38   5.216   1.479   1.479
  325   1HB   CYS  38          1HB       CYS  38   6.421  -0.233  -0.233
  326   2HB   CYS  38          2HB       CYS  38   6.389  -1.393  -1.393
  327    H    ARG  39           H        ARG  39   4.495   2.057   2.057
  328    HA   ARG  39           HA       ARG  39   4.506  -0.068  -0.068
  329   1HB   ARG  39          1HB       ARG  39   4.760   2.872   2.872
  330   2HB   ARG  39          2HB       ARG  39   3.345   2.463   2.463
  331   1HG   ARG  39          1HG       ARG  39   4.733   1.956   1.956
  332   2HG   ARG  39          2HG       ARG  39   5.452   0.644   0.644
  333   1HD   ARG  39          1HD       ARG  39   7.397   1.869   1.869
  334   2HD   ARG  39          2HD       ARG  39   6.766   2.839   2.839
  335    HE   ARG  39           HE       ARG  39   6.443   4.622   4.622
  336   1HH1  ARG  39          1HH1      ARG  39   6.368   1.707   1.707
  337   2HH1  ARG  39          2HH1      ARG  39   6.187   2.641   2.641
  338   1HH2  ARG  39          1HH2      ARG  39   6.240   5.562   5.562
  339   2HH2  ARG  39          2HH2      ARG  39   6.116   4.736   4.736
  340    H    TYR  40           H        TYR  40   2.994  -1.420  -1.420
  341    HA   TYR  40           HA       TYR  40   0.141  -0.328  -0.328
  342   1HB   TYR  40          1HB       TYR  40   0.845  -3.334  -3.334
  343   2HB   TYR  40          2HB       TYR  40  -0.667  -2.585  -2.585
  344    HD1  TYR  40           HD1      TYR  40  -0.741  -1.062  -1.062
  345    HD2  TYR  40           HD2      TYR  40   2.344  -3.930  -3.930
  346    HE1  TYR  40           HE1      TYR  40  -0.315  -1.368  -1.368
  347    HE2  TYR  40           HE2      TYR  40   2.560  -4.416  -4.416
  348    HH   TYR  40           HH       TYR  40   1.903  -2.110  -2.110
  349    H    SER  41           H        SER  41   2.486  -2.286  -2.286
  350    HA   SER  41           HA       SER  41   2.659  -2.592  -2.592
  351   1HB   SER  41          1HB       SER  41   0.104  -0.922  -0.922
  352   2HB   SER  41          2HB       SER  41   0.485  -1.816  -1.816
  353    HG   SER  41           HG       SER  41   2.629  -0.762  -0.762
  354    HA   PRO  42           HA       PRO  42   0.872  -6.548  -6.548
  355   1HB   PRO  42          1HB       PRO  42   1.257  -7.037  -7.037
  356   2HB   PRO  42          2HB       PRO  42   2.712  -6.772  -6.772
  357   1HG   PRO  42          1HG       PRO  42   1.266  -4.610  -4.610
  358   2HG   PRO  42          2HG       PRO  42   3.048  -5.234  -5.234
  359   1HD   PRO  42          1HD       PRO  42   2.013  -3.049  -3.049
  360   2HD   PRO  42          2HD       PRO  42   3.303  -4.132  -4.132
  361    H    LYS  43           H        LYS  43  -0.293  -4.087  -4.087
  362    HA   LYS  43           HA       LYS  43  -2.665  -5.901  -5.901
  363   1HB   LYS  43          1HB       LYS  43  -2.801  -4.832  -4.832
  364   2HB   LYS  43          2HB       LYS  43  -1.077  -4.648  -4.648
  365   1HG   LYS  43          1HG       LYS  43  -1.925  -2.317  -2.317
  366   2HG   LYS  43          2HG       LYS  43  -3.297  -2.549  -2.549
  367   1HD   LYS  43          1HD       LYS  43  -0.353  -2.003  -2.003
  368   2HD   LYS  43          2HD       LYS  43  -1.792  -1.145  -1.145
  369   1HE   LYS  43          1HE       LYS  43  -1.020  -4.045  -4.045
  370   2HE   LYS  43          2HE       LYS  43  -0.796  -2.620  -2.620
  371   1HZ   LYS  43          1HZ       LYS  43  -3.466  -3.116  -3.116
  372   2HZ   LYS  43          2HZ       LYS  43  -2.946  -4.035  -4.035
  373   3HZ   LYS  43          3HZ       LYS  43  -3.032  -2.360  -2.360

  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -12.283  -7.841  -7.841
    2   2H    MET   1          2H        MET   1 -11.581  -8.672  -8.672
    3   3H    MET   1          3H        MET   1 -10.609  -7.958  -7.958
    4    HA   MET   1           HA       MET   1 -10.409  -6.257  -6.257
    5   1HB   MET   1          1HB       MET   1 -12.824  -7.565  -7.565
    6   2HB   MET   1          2HB       MET   1 -12.266  -5.973  -5.973
    7   1HG   MET   1          1HG       MET   1 -10.170  -6.799  -6.799
    8   2HG   MET   1          2HG       MET   1 -10.272  -8.296  -8.296
    9   1HE   MET   1          1HE       MET   1 -10.871  -6.359  -6.359
   10   2HE   MET   1          2HE       MET   1 -11.928  -7.295  -7.295
   11   3HE   MET   1          3HE       MET   1 -12.650  -6.303  -6.303
   12    H    LYS   2           H        LYS   2 -13.940  -6.619  -6.619
   13    HA   LYS   2           HA       LYS   2 -14.126  -3.866  -3.866
   14   1HB   LYS   2          1HB       LYS   2 -16.395  -3.960  -3.960
   15   2HB   LYS   2          2HB       LYS   2 -15.810  -5.162  -5.162
   16   1HG   LYS   2          1HG       LYS   2 -16.540  -7.030  -7.030
   17   2HG   LYS   2          2HG       LYS   2 -16.816  -5.948  -5.948
   18   1HD   LYS   2          1HD       LYS   2 -18.929  -6.702  -6.702
   19   2HD   LYS   2          2HD       LYS   2 -18.763  -4.939  -4.939
   20   1HE   LYS   2          1HE       LYS   2 -19.437  -5.767  -5.767
   21   2HE   LYS   2          2HE       LYS   2 -17.759  -5.213  -5.213
   22   1HZ   LYS   2          1HZ       LYS   2 -17.018  -7.501  -7.501
   23   2HZ   LYS   2          2HZ       LYS   2 -18.612  -8.031  -8.031
   24   3HZ   LYS   2          3HZ       LYS   2 -18.018  -7.378  -7.378
   25    H    LEU   3           H        LEU   3 -14.106  -7.186  -7.186
   26    HA   LEU   3           HA       LEU   3 -15.203  -6.367  -6.367
   27   1HB   LEU   3          1HB       LEU   3 -15.941  -8.509  -8.509
   28   2HB   LEU   3          2HB       LEU   3 -14.393  -9.199  -9.199
   29    HG   LEU   3           HG       LEU   3 -15.011  -8.989  -8.989
   30   1HD1  LEU   3          1HD1      LEU   3 -17.514  -7.728  -7.728
   31   2HD1  LEU   3          2HD1      LEU   3 -17.687  -8.692  -8.692
   32   3HD1  LEU   3          3HD1      LEU   3 -16.609  -7.275  -7.275
   33   1HD2  LEU   3          1HD2      LEU   3 -15.553 -11.100 -11.100
   34   2HD2  LEU   3          2HD2      LEU   3 -16.404 -10.972 -10.972
   35   3HD2  LEU   3          3HD2      LEU   3 -17.229 -10.542 -10.542
   36    H    LEU   4           H        LEU   4 -12.587  -5.523  -5.523
   37    HA   LEU   4           HA       LEU   4 -11.297  -6.253  -6.253
   38   1HB   LEU   4          1HB       LEU   4 -10.218  -7.810  -7.810
   39   2HB   LEU   4          2HB       LEU   4  -9.843  -6.469  -6.469
   40    HG   LEU   4           HG       LEU   4  -8.471  -5.592  -5.592
   41   1HD1  LEU   4          1HD1      LEU   4  -9.307  -7.702  -7.702
   42   2HD1  LEU   4          2HD1      LEU   4  -8.197  -8.650  -8.650
   43   3HD1  LEU   4          3HD1      LEU   4  -7.557  -7.384  -7.384
   44   1HD2  LEU   4          1HD2      LEU   4  -7.566  -6.185  -6.185
   45   2HD2  LEU   4          2HD2      LEU   4  -6.420  -6.431  -6.431
   46   3HD2  LEU   4          3HD2      LEU   4  -7.269  -7.815  -7.815
   47    H    SER   5           H        SER   5 -12.531  -4.168  -4.168
   48    HA   SER   5           HA       SER   5 -10.819  -1.854  -1.854
   49   1HB   SER   5          1HB       SER   5 -12.812  -0.776  -0.776
   50   2HB   SER   5          2HB       SER   5 -13.565  -2.153  -2.153
   51    HG   SER   5           HG       SER   5 -12.530   0.175   0.175
   52    H    SER   6           H        SER   6 -10.037  -0.268  -0.268
   53    HA   SER   6           HA       SER   6  -8.273  -1.415  -1.415
   54   1HB   SER   6          1HB       SER   6  -9.404   1.458   1.458
   55   2HB   SER   6          2HB       SER   6  -7.981   0.952   0.952
   56    HG   SER   6           HG       SER   6  -7.791   1.953   1.953
   57    H    ILE   7           H        ILE   7  -8.251  -0.928  -0.928
   58    HA   ILE   7           HA       ILE   7 -10.965  -0.563  -0.563
   59    HB   ILE   7           HB       ILE   7 -10.447  -3.133  -3.133
   60   1HG1  ILE   7          1HG1      ILE   7 -11.583  -3.738  -3.738
   61   2HG1  ILE   7          2HG1      ILE   7 -11.578  -2.020  -2.020
   62   1HG2  ILE   7          1HG2      ILE   7  -8.160  -2.770  -2.770
   63   2HG2  ILE   7          2HG2      ILE   7  -9.324  -3.405  -3.405
   64   3HG2  ILE   7          3HG2      ILE   7  -8.959  -4.343  -4.343
   65   1HD1  ILE   7          1HD1      ILE   7 -12.881  -2.951  -2.951
   66   2HD1  ILE   7          2HD1      ILE   7 -13.773  -2.984  -2.984
   67   3HD1  ILE   7          3HD1      ILE   7 -13.138  -1.451  -1.451
   68    H    GLU   8           H        GLU   8  -9.782  -1.539  -1.539
   69    HA   GLU   8           HA       GLU   8  -8.774   1.241   1.241
   70   1HB   GLU   8          1HB       GLU   8  -8.818   0.434   0.434
   71   2HB   GLU   8          2HB       GLU   8 -10.354   0.471   0.471
   72   1HG   GLU   8          1HG       GLU   8  -8.914  -2.213  -2.213
   73   2HG   GLU   8          2HG       GLU   8  -9.404  -1.688  -1.688
   74    H    GLN   9           H        GLN   9  -7.456  -2.000  -2.000
   75    HA   GLN   9           HA       GLN   9  -4.754  -1.096  -1.096
   76   1HB   GLN   9          1HB       GLN   9  -4.223  -3.308  -3.308
   77   2HB   GLN   9          2HB       GLN   9  -5.953  -3.547  -3.547
   78   1HG   GLN   9          1HG       GLN   9  -5.219  -2.805  -2.805
   79   2HG   GLN   9          2HG       GLN   9  -3.702  -3.491  -3.491
   80   1HE2  GLN   9          1HE2      GLN   9  -5.134  -6.854  -6.854
   81   2HE2  GLN   9          2HE2      GLN   9  -3.889  -5.843  -5.843
   82    H    ALA  10           H        ALA  10  -3.383   0.099   0.099
   83    HA   ALA  10           HA       ALA  10  -2.835  -0.245  -0.245
   84   1HB   ALA  10          1HB       ALA  10  -5.033   0.913   0.913
   85   2HB   ALA  10          2HB       ALA  10  -4.494   2.302   2.302
   86   3HB   ALA  10          3HB       ALA  10  -3.720   1.951   1.951
   87    H    CYS  11           H        CYS  11  -0.788   0.691   0.691
   88    HA   CYS  11           HA       CYS  11   0.582   1.274   1.274
   89   1HB   CYS  11          1HB       CYS  11   2.649   1.285   1.285
   90   2HB   CYS  11          2HB       CYS  11   1.614  -0.034  -0.034
   91    H    ASP  12           H        ASP  12   2.077   2.908   2.908
   92    HA   ASP  12           HA       ASP  12   0.643   5.453   5.453
   93   1HB   ASP  12          1HB       ASP  12   2.269   4.928   4.928
   94   2HB   ASP  12          2HB       ASP  12   3.552   4.640   4.640
   95    H    ILE  13           H        ILE  13   3.004   4.139   4.139
   96    HA   ILE  13           HA       ILE  13   3.731   6.722   6.722
   97    HB   ILE  13           HB       ILE  13   4.154   3.776   3.776
   98   1HG1  ILE  13          1HG1      ILE  13   6.012   4.540   4.540
   99   2HG1  ILE  13          2HG1      ILE  13   6.594   4.693   4.693
  100   1HG2  ILE  13          1HG2      ILE  13   3.452   4.765   4.765
  101   2HG2  ILE  13          2HG2      ILE  13   4.807   5.909   5.909
  102   3HG2  ILE  13          3HG2      ILE  13   5.140   4.201   4.201
  103   1HD1  ILE  13          1HD1      ILE  13   5.845   7.202   7.202
  104   2HD1  ILE  13          2HD1      ILE  13   5.706   6.994   6.994
  105   3HD1  ILE  13          3HD1      ILE  13   7.277   6.744   6.744
  106    H    CYS  14           H        CYS  14   1.206   4.447   4.447
  107    HA   CYS  14           HA       CYS  14   0.642   5.590   5.590
  108   1HB   CYS  14          1HB       CYS  14  -0.422   3.231   3.231
  109   2HB   CYS  14          2HB       CYS  14  -1.501   3.907   3.907
  110    H    ARG  15           H        ARG  15  -0.941   5.594   5.594
  111    HA   ARG  15           HA       ARG  15  -2.994   7.474   7.474
  112   1HB   ARG  15          1HB       ARG  15  -3.006   8.042   8.042
  113   2HB   ARG  15          2HB       ARG  15  -3.417   6.415   6.415
  114   1HG   ARG  15          1HG       ARG  15  -0.866   5.799   5.799
  115   2HG   ARG  15          2HG       ARG  15  -0.738   7.389   7.389
  116   1HD   ARG  15          1HD       ARG  15  -1.741   4.944   4.944
  117   2HD   ARG  15          2HD       ARG  15  -1.637   6.551   6.551
  118    HE   ARG  15           HE       ARG  15  -4.046   5.321   5.321
  119   1HH1  ARG  15          1HH1      ARG  15  -2.678   8.235   8.235
  120   2HH1  ARG  15          2HH1      ARG  15  -4.338   9.019   9.019
  121   1HH2  ARG  15          1HH2      ARG  15  -5.805   6.233   6.233
  122   2HH2  ARG  15          2HH2      ARG  15  -6.042   7.936   7.936
  123    H    LEU  16           H        LEU  16  -0.091   8.238   8.238
  124    HA   LEU  16           HA       LEU  16  -0.180  11.095  11.095
  125   1HB   LEU  16          1HB       LEU  16   1.663  10.614  10.614
  126   2HB   LEU  16          2HB       LEU  16   1.816   9.010   9.010
  127    HG   LEU  16           HG       LEU  16   2.984  10.505  10.505
  128   1HD1  LEU  16          1HD1      LEU  16   2.694  12.657  12.657
  129   2HD1  LEU  16          2HD1      LEU  16   3.622  12.001  12.001
  130   3HD1  LEU  16          3HD1      LEU  16   4.410  12.261  12.261
  131   1HD2  LEU  16          1HD2      LEU  16   4.367   9.417   9.417
  132   2HD2  LEU  16          2HD2      LEU  16   4.050   8.522   8.522
  133   3HD2  LEU  16          3HD2      LEU  16   5.205   9.859   9.859
  134    H    LYS  17           H        LYS  17   1.360   8.851   8.851
  135    HA   LYS  17           HA       LYS  17   1.944  11.139  11.139
  136   1HB   LYS  17          1HB       LYS  17   2.386   8.089   8.089
  137   2HB   LYS  17          2HB       LYS  17   2.656   9.080   9.080
  138   1HG   LYS  17          1HG       LYS  17   4.009   9.830   9.830
  139   2HG   LYS  17          2HG       LYS  17   4.679   8.543   8.543
  140   1HD   LYS  17          1HD       LYS  17   4.301  10.684  10.684
  141   2HD   LYS  17          2HD       LYS  17   4.720  11.518  11.518
  142   1HE   LYS  17          1HE       LYS  17   6.873  10.525  10.525
  143   2HE   LYS  17          2HE       LYS  17   6.390   9.044   9.044
  144   1HZ   LYS  17          1HZ       LYS  17   5.995  10.833  10.833
  145   2HZ   LYS  17          2HZ       LYS  17   7.252  11.587  11.587
  146   3HZ   LYS  17          3HZ       LYS  17   7.451  10.023  10.023
  147    H    LYS  18           H        LYS  18  -0.681   9.157   9.157
  148    HA   LYS  18           HA       LYS  18  -2.770   8.964   8.964
  149   1HB   LYS  18          1HB       LYS  18  -1.593  11.524  11.524
  150   2HB   LYS  18          2HB       LYS  18  -3.127  10.855  10.855
  151   1HG   LYS  18          1HG       LYS  18  -3.600  10.890  10.890
  152   2HG   LYS  18          2HG       LYS  18  -2.295  12.074  12.074
  153   1HD   LYS  18          1HD       LYS  18  -4.033  13.049  13.049
  154   2HD   LYS  18          2HD       LYS  18  -5.166  12.264  12.264
  155   1HE   LYS  18          1HE       LYS  18  -3.151  13.680  13.680
  156   2HE   LYS  18          2HE       LYS  18  -3.767  14.813  14.813
  157   1HZ   LYS  18          1HZ       LYS  18  -6.040  13.647  13.647
  158   2HZ   LYS  18          2HZ       LYS  18  -5.184  13.501  13.501
  159   3HZ   LYS  18          3HZ       LYS  18  -5.416  15.017  15.017
  160    H    LEU  19           H        LEU  19  -0.353   7.716   7.716
  161    HA   LEU  19           HA       LEU  19  -1.069   7.136   7.136
  162   1HB   LEU  19          1HB       LEU  19   1.021   5.352   5.352
  163   2HB   LEU  19          2HB       LEU  19   1.179   6.808   6.808
  164    HG   LEU  19           HG       LEU  19   1.422   7.670   7.670
  165   1HD1  LEU  19          1HD1      LEU  19   1.805   5.120   5.120
  166   2HD1  LEU  19          2HD1      LEU  19   3.285   5.286   5.286
  167   3HD1  LEU  19          3HD1      LEU  19   3.122   6.192   6.192
  168   1HD2  LEU  19          1HD2      LEU  19   2.651   8.620   8.620
  169   2HD2  LEU  19          2HD2      LEU  19   3.689   8.335   8.335
  170   3HD2  LEU  19          3HD2      LEU  19   3.728   7.196   7.196
  171    H    LYS  20           H        LYS  20  -0.644   4.770   4.770
  172    HA   LYS  20           HA       LYS  20  -3.020   3.475   3.475
  173   1HB   LYS  20          1HB       LYS  20  -1.499   2.437   2.437
  174   2HB   LYS  20          2HB       LYS  20  -3.137   2.027   2.027
  175   1HG   LYS  20          1HG       LYS  20  -4.003   4.226   4.226
  176   2HG   LYS  20          2HG       LYS  20  -2.398   4.955   4.955
  177   1HD   LYS  20          1HD       LYS  20  -3.477   2.870   2.870
  178   2HD   LYS  20          2HD       LYS  20  -3.385   4.621   4.621
  179   1HE   LYS  20          1HE       LYS  20  -0.777   3.435   3.435
  180   2HE   LYS  20          2HE       LYS  20  -1.301   2.796   2.796
  181   1HZ   LYS  20          1HZ       LYS  20  -1.630   5.085   5.085
  182   2HZ   LYS  20          2HZ       LYS  20  -1.073   5.679   5.679
  183   3HZ   LYS  20          3HZ       LYS  20  -0.042   4.802   4.802
  184    H    CYS  21           H        CYS  21  -3.095   1.385   1.385
  185    HA   CYS  21           HA       CYS  21  -0.327   0.395   0.395
  186   1HB   CYS  21          1HB       CYS  21  -1.749   1.780   1.780
  187   2HB   CYS  21          2HB       CYS  21  -2.873   0.414   0.414
  188    H    SER  22           H        SER  22  -0.321  -1.155  -1.155
  189    HA   SER  22           HA       SER  22  -2.036  -3.402  -3.402
  190   1HB   SER  22          1HB       SER  22   0.143  -4.808  -4.808
  191   2HB   SER  22          2HB       SER  22  -0.065  -3.446  -3.446
  192    HG   SER  22           HG       SER  22   1.183  -2.487  -2.487
  193    H    LYS  23           H        LYS  23  -0.656  -2.464  -2.464
  194    HA   LYS  23           HA       LYS  23  -0.508  -3.498  -3.498
  195   1HB   LYS  23          1HB       LYS  23  -2.592  -5.453  -5.453
  196   2HB   LYS  23          2HB       LYS  23  -2.358  -5.182  -5.182
  197   1HG   LYS  23          1HG       LYS  23  -2.970  -2.751  -2.751
  198   2HG   LYS  23          2HG       LYS  23  -4.284  -3.875  -3.875
  199   1HD   LYS  23          1HD       LYS  23  -2.747  -3.074  -3.074
  200   2HD   LYS  23          2HD       LYS  23  -3.399  -1.679  -1.679
  201   1HE   LYS  23          1HE       LYS  23  -4.949  -4.041  -4.041
  202   2HE   LYS  23          2HE       LYS  23  -5.259  -2.310  -2.310
  203   1HZ   LYS  23          1HZ       LYS  23  -5.506  -2.535  -2.535
  204   2HZ   LYS  23          2HZ       LYS  23  -6.016  -4.070  -4.070
  205   3HZ   LYS  23          3HZ       LYS  23  -6.786  -2.708  -2.708
  206    H    GLU  24           H        GLU  24   0.534  -5.528  -5.528
  207    HA   GLU  24           HA       GLU  24   1.386  -7.826  -7.826
  208   1HB   GLU  24          1HB       GLU  24   3.735  -7.522  -7.522
  209   2HB   GLU  24          2HB       GLU  24   2.329  -7.712  -7.712
  210   1HG   GLU  24          1HG       GLU  24   2.415  -5.403  -5.403
  211   2HG   GLU  24          2HG       GLU  24   3.452  -4.895  -4.895
  212    H    LYS  25           H        LYS  25   3.479  -8.384  -8.384
  213    HA   LYS  25           HA       LYS  25   4.066  -6.403  -6.403
  214   1HB   LYS  25          1HB       LYS  25   3.031  -9.302  -9.302
  215   2HB   LYS  25          2HB       LYS  25   3.641  -8.302  -8.302
  216   1HG   LYS  25          1HG       LYS  25   1.733  -6.806  -6.806
  217   2HG   LYS  25          2HG       LYS  25   1.348  -7.234  -7.234
  218   1HD   LYS  25          1HD       LYS  25  -0.251  -8.090  -8.090
  219   2HD   LYS  25          2HD       LYS  25   0.361  -9.351  -9.351
  220   1HE   LYS  25          1HE       LYS  25   2.172  -8.875  -8.875
  221   2HE   LYS  25          2HE       LYS  25   0.560  -9.431  -9.431
  222   1HZ   LYS  25          1HZ       LYS  25   2.097 -10.752 -10.752
  223   2HZ   LYS  25          2HZ       LYS  25   2.214 -11.206 -11.206
  224   3HZ   LYS  25          3HZ       LYS  25   0.741 -11.327 -11.327
  225    HA   PRO  26           HA       PRO  26   5.089  -6.555  -6.555
  226   1HB   PRO  26          1HB       PRO  26   7.390  -5.147  -5.147
  227   2HB   PRO  26          2HB       PRO  26   7.123  -6.917  -6.917
  228   1HG   PRO  26          1HG       PRO  26   8.442  -6.071  -6.071
  229   2HG   PRO  26          2HG       PRO  26   9.174  -6.938  -6.938
  230   1HD   PRO  26          1HD       PRO  26   8.142  -8.145  -8.145
  231   2HD   PRO  26          2HD       PRO  26   7.673  -8.795  -8.795
  232    H    LYS  27           H        LYS  27   7.281  -5.335  -5.335
  233    HA   LYS  27           HA       LYS  27   5.691  -2.718  -2.718
  234   1HB   LYS  27          1HB       LYS  27   7.731  -2.239  -2.239
  235   2HB   LYS  27          2HB       LYS  27   7.868  -1.917  -1.917
  236   1HG   LYS  27          1HG       LYS  27   8.544  -4.765  -4.765
  237   2HG   LYS  27          2HG       LYS  27   9.488  -3.692  -3.692
  238   1HD   LYS  27          1HD       LYS  27   9.272  -3.225  -3.225
  239   2HD   LYS  27          2HD       LYS  27  10.371  -4.459  -4.459
  240   1HE   LYS  27          1HE       LYS  27  11.914  -2.776  -2.776
  241   2HE   LYS  27          2HE       LYS  27  10.886  -2.222  -2.222
  242   1HZ   LYS  27          1HZ       LYS  27  10.148  -1.429  -1.429
  243   2HZ   LYS  27          2HZ       LYS  27  11.449  -0.659  -0.659
  244   3HZ   LYS  27          3HZ       LYS  27   9.926  -0.616  -0.616
  245    H    CYS  28           H        CYS  28   4.415  -2.158  -2.158
  246    HA   CYS  28           HA       CYS  28   3.619  -4.020  -4.020
  247   1HB   CYS  28          1HB       CYS  28   3.022  -1.785  -1.785
  248   2HB   CYS  28          2HB       CYS  28   2.143  -2.195  -2.195
  249    H    ALA  29           H        ALA  29   3.819  -3.370  -3.370
  250    HA   ALA  29           HA       ALA  29   6.515  -3.869  -3.869
  251   1HB   ALA  29          1HB       ALA  29   4.390  -4.026  -4.026
  252   2HB   ALA  29          2HB       ALA  29   4.207  -2.257  -2.257
  253   3HB   ALA  29          3HB       ALA  29   5.585  -2.984  -2.984
  254    H    LYS  30           H        LYS  30   4.753  -0.889  -0.889
  255    HA   LYS  30           HA       LYS  30   6.805   0.783   0.783
  256   1HB   LYS  30          1HB       LYS  30   4.268   1.300   1.300
  257   2HB   LYS  30          2HB       LYS  30   4.777   1.802   1.802
  258   1HG   LYS  30          1HG       LYS  30   5.757   3.776   3.776
  259   2HG   LYS  30          2HG       LYS  30   6.512   2.958   2.958
  260   1HD   LYS  30          1HD       LYS  30   4.733   4.852   4.852
  261   2HD   LYS  30          2HD       LYS  30   4.629   3.392   3.392
  262   1HE   LYS  30          1HE       LYS  30   3.128   3.268   3.268
  263   2HE   LYS  30          2HE       LYS  30   2.455   4.375   4.375
  264   1HZ   LYS  30          1HZ       LYS  30   3.125   2.130   2.130
  265   2HZ   LYS  30          2HZ       LYS  30   2.479   1.526   1.526
  266   3HZ   LYS  30          3HZ       LYS  30   1.584   2.592   2.592
  267    H    CYS  31           H        CYS  31   6.119   0.391   0.391
  268    HA   CYS  31           HA       CYS  31   8.279   2.211   2.211
  269   1HB   CYS  31          1HB       CYS  31   7.286  -0.240  -0.240
  270   2HB   CYS  31          2HB       CYS  31   8.225   1.098   1.098
  271    H    LEU  32           H        LEU  32   8.238  -1.158  -1.158
  272    HA   LEU  32           HA       LEU  32  11.090  -1.583  -1.583
  273   1HB   LEU  32          1HB       LEU  32   9.483  -3.506  -3.506
  274   2HB   LEU  32          2HB       LEU  32   9.226  -3.021  -3.021
  275    HG   LEU  32           HG       LEU  32  10.652  -5.089  -5.089
  276   1HD1  LEU  32          1HD1      LEU  32  10.681  -3.787  -3.787
  277   2HD1  LEU  32          2HD1      LEU  32  11.996  -2.756  -2.756
  278   3HD1  LEU  32          3HD1      LEU  32  12.273  -4.492  -4.492
  279   1HD2  LEU  32          1HD2      LEU  32  12.775  -3.071  -3.071
  280   2HD2  LEU  32          2HD2      LEU  32  12.058  -4.422  -4.422
  281   3HD2  LEU  32          3HD2      LEU  32  13.111  -4.761  -4.761
  282    H    LYS  33           H        LYS  33   9.455  -0.300  -0.300
  283    HA   LYS  33           HA       LYS  33  11.916  -0.405  -0.405
  284   1HB   LYS  33          1HB       LYS  33   9.228   1.127   1.127
  285   2HB   LYS  33          2HB       LYS  33  10.525   1.388   1.388
  286   1HG   LYS  33          1HG       LYS  33   9.670  -1.517  -1.517
  287   2HG   LYS  33          2HG       LYS  33   8.589  -0.492  -0.492
  288   1HD   LYS  33          1HD       LYS  33  10.136  -0.363  -0.363
  289   2HD   LYS  33          2HD       LYS  33  11.548  -0.593  -0.593
  290   1HE   LYS  33          1HE       LYS  33  10.946  -2.671  -2.671
  291   2HE   LYS  33          2HE       LYS  33  11.087  -2.995  -2.995
  292   1HZ   LYS  33          1HZ       LYS  33   8.454  -2.155  -2.155
  293   2HZ   LYS  33          2HZ       LYS  33   8.977  -3.697  -3.697
  294   3HZ   LYS  33          3HZ       LYS  33   8.867  -3.260  -3.260
  295    H    ASN  34           H        ASN  34  10.621   1.661   1.661
  296    HA   ASN  34           HA       ASN  34  12.498   3.938   3.938
  297   1HB   ASN  34          1HB       ASN  34   9.920   3.931   3.931
  298   2HB   ASN  34          2HB       ASN  34  10.827   5.369   5.369
  299   1HD2  ASN  34          1HD2      ASN  34   9.469   5.147   5.147
  300   2HD2  ASN  34          2HD2      ASN  34  11.176   5.089   5.089
  301    H    ASN  35           H        ASN  35  12.500   1.370   1.370
  302    HA   ASN  35           HA       ASN  35  13.058   0.975   0.975
  303   1HB   ASN  35          1HB       ASN  35  15.253   1.733   1.733
  304   2HB   ASN  35          2HB       ASN  35  15.005   3.329   3.329
  305   1HD2  ASN  35          1HD2      ASN  35  15.563   1.116   1.116
  306   2HD2  ASN  35          2HD2      ASN  35  14.007   0.962   0.962
  307    H    TRP  36           H        TRP  36  11.076   1.576   1.576
  308    HA   TRP  36           HA       TRP  36  11.005   4.291   4.291
  309   1HB   TRP  36          1HB       TRP  36   8.912   2.773   2.773
  310   2HB   TRP  36          2HB       TRP  36   8.338   3.894   3.894
  311    HD1  TRP  36           HD1      TRP  36  11.206   5.801   5.801
  312    HE1  TRP  36           HE1      TRP  36  10.768   7.630   7.630
  313    HE3  TRP  36           HE3      TRP  36   7.026   3.632   3.632
  314    HZ2  TRP  36           HZ2      TRP  36   8.732   7.920   7.920
  315    HZ3  TRP  36           HZ3      TRP  36   5.854   4.725   4.725
  316    HH2  TRP  36           HH2      TRP  36   6.658   6.865   6.865
  317    H    GLU  37           H        GLU  37   9.031   4.231   4.231
  318    HA   GLU  37           HA       GLU  37   9.557   1.747   1.747
  319   1HB   GLU  37          1HB       GLU  37  10.234   4.128   4.128
  320   2HB   GLU  37          2HB       GLU  37   8.536   4.546   4.546
  321   1HG   GLU  37          1HG       GLU  37  10.107   3.480   3.480
  322   2HG   GLU  37          2HG       GLU  37   8.380   3.735   3.735
  323    H    CYS  38           H        CYS  38   7.919   0.999   0.999
  324    HA   CYS  38           HA       CYS  38   5.133   1.476   1.476
  325   1HB   CYS  38          1HB       CYS  38   6.295  -0.202  -0.202
  326   2HB   CYS  38          2HB       CYS  38   6.418  -1.347  -1.347
  327    H    ARG  39           H        ARG  39   4.524   2.083   2.083
  328    HA   ARG  39           HA       ARG  39   4.355  -0.145  -0.145
  329   1HB   ARG  39          1HB       ARG  39   5.332   1.900   1.900
  330   2HB   ARG  39          2HB       ARG  39   4.155   2.932   2.932
  331   1HG   ARG  39          1HG       ARG  39   2.783   2.850   2.850
  332   2HG   ARG  39          2HG       ARG  39   2.703   1.093   1.093
  333   1HD   ARG  39          1HD       ARG  39   4.549   0.807   0.807
  334   2HD   ARG  39          2HD       ARG  39   5.232   2.413   2.413
  335    HE   ARG  39           HE       ARG  39   2.489   2.330   2.330
  336   1HH1  ARG  39          1HH1      ARG  39   5.876   2.928   2.928
  337   2HH1  ARG  39          2HH1      ARG  39   5.579   3.829   3.829
  338   1HH2  ARG  39          1HH2      ARG  39   2.245   3.322   3.322
  339   2HH2  ARG  39          2HH2      ARG  39   3.607   4.049   4.049
  340    H    TYR  40           H        TYR  40   2.747  -1.362  -1.362
  341    HA   TYR  40           HA       TYR  40   0.028  -0.166  -0.166
  342   1HB   TYR  40          1HB       TYR  40   0.802  -3.160  -3.160
  343   2HB   TYR  40          2HB       TYR  40  -0.787  -2.610  -2.610
  344    HD1  TYR  40           HD1      TYR  40  -0.650  -0.937  -0.937
  345    HD2  TYR  40           HD2      TYR  40   1.796  -4.311  -4.311
  346    HE1  TYR  40           HE1      TYR  40  -0.099  -1.301  -1.301
  347    HE2  TYR  40           HE2      TYR  40   2.557  -4.481  -4.481
  348    HH   TYR  40           HH       TYR  40   1.303  -3.610  -3.610
  349    H    SER  41           H        SER  41   1.875  -1.740  -1.740
  350    HA   SER  41           HA       SER  41   0.591  -0.786  -0.786
  351   1HB   SER  41          1HB       SER  41  -1.629  -1.413  -1.413
  352   2HB   SER  41          2HB       SER  41  -1.297  -2.763  -2.763
  353    HG   SER  41           HG       SER  41  -1.903  -2.908  -2.908
  354    HA   PRO  42           HA       PRO  42   2.374  -5.364  -5.364
  355   1HB   PRO  42          1HB       PRO  42   3.799  -6.234  -6.234
  356   2HB   PRO  42          2HB       PRO  42   2.048  -6.773  -6.773
  357   1HG   PRO  42          1HG       PRO  42   2.888  -4.409  -4.409
  358   2HG   PRO  42          2HG       PRO  42   1.793  -5.918  -5.918
  359   1HD   PRO  42          1HD       PRO  42   0.965  -3.390  -3.390
  360   2HD   PRO  42          2HD       PRO  42   0.235  -4.849  -4.849
  361    H    LYS  43           H        LYS  43   4.260  -3.969  -3.969
  362    HA   LYS  43           HA       LYS  43   6.427  -3.132  -3.132
  363   1HB   LYS  43          1HB       LYS  43   6.353  -5.941  -5.941
  364   2HB   LYS  43          2HB       LYS  43   7.614  -5.272  -5.272
  365   1HG   LYS  43          1HG       LYS  43   8.338  -4.074  -4.074
  366   2HG   LYS  43          2HG       LYS  43   7.498  -5.483  -5.483
  367   1HD   LYS  43          1HD       LYS  43   9.501  -6.009  -6.009
  368   2HD   LYS  43          2HD       LYS  43  10.178  -5.345  -5.345
  369   1HE   LYS  43          1HE       LYS  43  10.190  -7.711  -7.711
  370   2HE   LYS  43          2HE       LYS  43   8.718  -7.175  -7.175
  371   1HZ   LYS  43          1HZ       LYS  43   7.753  -7.604  -7.604
  372   2HZ   LYS  43          2HZ       LYS  43   8.992  -8.741  -8.741
  373   3HZ   LYS  43          3HZ       LYS  43   7.803  -8.778  -8.778

  Start of MODEL   18
    1   1H    MET   1          1H        MET   1 -18.919 -10.243 -10.243
    2   2H    MET   1          2H        MET   1 -20.101  -9.103  -9.103
    3   3H    MET   1          3H        MET   1 -19.720  -9.436  -9.436
    4    HA   MET   1           HA       MET   1 -21.644 -10.584 -10.584
    5   1HB   MET   1          1HB       MET   1 -20.622 -11.384 -11.384
    6   2HB   MET   1          2HB       MET   1 -22.132 -11.933 -11.933
    7   1HG   MET   1          1HG       MET   1 -21.487  -9.001  -9.001
    8   2HG   MET   1          2HG       MET   1 -22.574 -10.111 -10.111
    9   1HE   MET   1          1HE       MET   1 -24.763 -10.791 -10.791
   10   2HE   MET   1          2HE       MET   1 -24.331 -11.657 -11.657
   11   3HE   MET   1          3HE       MET   1 -25.678 -10.476 -10.476
   12    H    LYS   2           H        LYS   2 -19.282 -12.403 -12.403
   13    HA   LYS   2           HA       LYS   2 -19.322 -14.454 -14.454
   14   1HB   LYS   2          1HB       LYS   2 -20.286 -15.311 -15.311
   15   2HB   LYS   2          2HB       LYS   2 -18.857 -14.804 -14.804
   16   1HG   LYS   2          1HG       LYS   2 -19.119 -17.362 -17.362
   17   2HG   LYS   2          2HG       LYS   2 -17.531 -16.604 -16.604
   18   1HD   LYS   2          1HD       LYS   2 -17.501 -17.450 -17.450
   19   2HD   LYS   2          2HD       LYS   2 -18.656 -16.180 -16.180
   20   1HE   LYS   2          1HE       LYS   2 -19.437 -18.982 -18.982
   21   2HE   LYS   2          2HE       LYS   2 -19.573 -18.475 -18.475
   22   1HZ   LYS   2          1HZ       LYS   2 -20.924 -17.083 -17.083
   23   2HZ   LYS   2          2HZ       LYS   2 -21.646 -18.228 -18.228
   24   3HZ   LYS   2          3HZ       LYS   2 -21.117 -16.766 -16.766
   25    H    LEU   3           H        LEU   3 -17.778 -12.127 -12.127
   26    HA   LEU   3           HA       LEU   3 -15.004 -13.352 -13.352
   27   1HB   LEU   3          1HB       LEU   3 -15.877 -11.768 -11.768
   28   2HB   LEU   3          2HB       LEU   3 -15.107 -10.573 -10.573
   29    HG   LEU   3           HG       LEU   3 -12.962 -11.884 -11.884
   30   1HD1  LEU   3          1HD1      LEU   3 -14.705 -13.861 -13.861
   31   2HD1  LEU   3          2HD1      LEU   3 -12.988 -13.728 -13.728
   32   3HD1  LEU   3          3HD1      LEU   3 -13.446 -14.165 -14.165
   33   1HD2  LEU   3          1HD2      LEU   3 -14.238 -10.845 -10.845
   34   2HD2  LEU   3          2HD2      LEU   3 -12.810 -10.258 -10.258
   35   3HD2  LEU   3          3HD2      LEU   3 -12.677 -11.706 -11.706
   36    H    LEU   4           H        LEU   4 -13.366 -11.819 -11.819
   37    HA   LEU   4           HA       LEU   4 -14.266 -10.975 -10.975
   38   1HB   LEU   4          1HB       LEU   4 -11.758 -11.453 -11.453
   39   2HB   LEU   4          2HB       LEU   4 -11.724  -9.729  -9.729
   40    HG   LEU   4           HG       LEU   4 -12.502 -10.591 -10.591
   41   1HD1  LEU   4          1HD1      LEU   4 -12.142 -13.050 -13.050
   42   2HD1  LEU   4          2HD1      LEU   4 -10.491 -12.784 -12.784
   43   3HD1  LEU   4          3HD1      LEU   4 -11.877 -12.763 -12.763
   44   1HD2  LEU   4          1HD2      LEU   4 -10.436  -9.165  -9.165
   45   2HD2  LEU   4          2HD2      LEU   4 -10.215 -10.206 -10.206
   46   3HD2  LEU   4          3HD2      LEU   4  -9.525 -10.687 -10.687
   47    H    SER   5           H        SER   5 -12.994  -8.663  -8.663
   48    HA   SER   5           HA       SER   5 -14.970  -6.669  -6.669
   49   1HB   SER   5          1HB       SER   5 -12.848  -6.664  -6.664
   50   2HB   SER   5          2HB       SER   5 -12.069  -5.746  -5.746
   51    HG   SER   5           HG       SER   5 -13.303  -4.564  -4.564
   52    H    SER   6           H        SER   6 -11.668  -6.430  -6.430
   53    HA   SER   6           HA       SER   6 -12.217  -6.769  -6.769
   54   1HB   SER   6          1HB       SER   6 -13.375  -4.237  -4.237
   55   2HB   SER   6          2HB       SER   6 -12.083  -3.864  -3.864
   56    HG   SER   6           HG       SER   6 -13.141  -5.533  -5.533
   57    H    ILE   7           H        ILE   7 -10.746  -4.805  -4.805
   58    HA   ILE   7           HA       ILE   7  -8.417  -3.974  -3.974
   59    HB   ILE   7           HB       ILE   7  -8.238  -6.777  -6.777
   60   1HG1  ILE   7          1HG1      ILE   7  -7.546  -7.023  -7.023
   61   2HG1  ILE   7          2HG1      ILE   7  -5.992  -6.417  -6.417
   62   1HG2  ILE   7          1HG2      ILE   7  -6.147  -4.769  -4.769
   63   2HG2  ILE   7          2HG2      ILE   7  -5.507  -6.255  -6.255
   64   3HG2  ILE   7          3HG2      ILE   7  -6.641  -6.317  -6.317
   65   1HD1  ILE   7          1HD1      ILE   7  -8.124  -4.534  -4.534
   66   2HD1  ILE   7          2HD1      ILE   7  -6.777  -5.256  -5.256
   67   3HD1  ILE   7          3HD1      ILE   7  -6.445  -4.123  -4.123
   68    H    GLU   8           H        GLU   8  -8.820  -2.107  -2.107
   69    HA   GLU   8           HA       GLU   8  -7.806  -2.384  -2.384
   70   1HB   GLU   8          1HB       GLU   8  -9.855  -0.833  -0.833
   71   2HB   GLU   8          2HB       GLU   8  -8.546   0.324   0.324
   72   1HG   GLU   8          1HG       GLU   8  -9.570   0.779   0.779
   73   2HG   GLU   8          2HG       GLU   8  -8.332  -0.331  -0.331
   74    H    GLN   9           H        GLN   9  -5.748  -2.986  -2.986
   75    HA   GLN   9           HA       GLN   9  -4.234  -1.092  -1.092
   76   1HB   GLN   9          1HB       GLN   9  -2.665  -2.949  -2.949
   77   2HB   GLN   9          2HB       GLN   9  -4.221  -3.752  -3.752
   78   1HG   GLN   9          1HG       GLN   9  -3.731  -4.247  -4.247
   79   2HG   GLN   9          2HG       GLN   9  -2.304  -3.239  -3.239
   80   1HE2  GLN   9          1HE2      GLN   9  -0.404  -6.167  -6.167
   81   2HE2  GLN   9          2HE2      GLN   9  -0.578  -4.478  -4.478
   82    H    ALA  10           H        ALA  10  -4.976  -0.205  -0.205
   83    HA   ALA  10           HA       ALA  10  -3.017   0.332   0.332
   84   1HB   ALA  10          1HB       ALA  10  -5.173   1.555   1.555
   85   2HB   ALA  10          2HB       ALA  10  -4.634   2.482   2.482
   86   3HB   ALA  10          3HB       ALA  10  -3.851   2.728   2.728
   87    H    CYS  11           H        CYS  11  -0.807   0.361   0.361
   88    HA   CYS  11           HA       CYS  11   0.380   1.159   1.159
   89   1HB   CYS  11          1HB       CYS  11   2.512   1.132   1.132
   90   2HB   CYS  11          2HB       CYS  11   1.500  -0.107  -0.107
   91    H    ASP  12           H        ASP  12   2.032   2.863   2.863
   92    HA   ASP  12           HA       ASP  12   0.457   5.358   5.358
   93   1HB   ASP  12          1HB       ASP  12   2.062   4.614   4.614
   94   2HB   ASP  12          2HB       ASP  12   3.414   4.859   4.859
   95    H    ILE  13           H        ILE  13   3.052   4.199   4.199
   96    HA   ILE  13           HA       ILE  13   3.575   6.891   6.891
   97    HB   ILE  13           HB       ILE  13   4.242   4.007   4.007
   98   1HG1  ILE  13          1HG1      ILE  13   5.715   4.727   4.727
   99   2HG1  ILE  13          2HG1      ILE  13   6.643   4.660   4.660
  100   1HG2  ILE  13          1HG2      ILE  13   3.975   5.378   5.378
  101   2HG2  ILE  13          2HG2      ILE  13   5.161   6.557   6.557
  102   3HG2  ILE  13          3HG2      ILE  13   5.630   4.884   4.884
  103   1HD1  ILE  13          1HD1      ILE  13   5.557   7.397   7.397
  104   2HD1  ILE  13          2HD1      ILE  13   6.646   6.862   6.862
  105   3HD1  ILE  13          3HD1      ILE  13   7.204   6.881   6.881
  106    H    CYS  14           H        CYS  14   1.217   4.493   4.493
  107    HA   CYS  14           HA       CYS  14   0.529   5.687   5.687
  108   1HB   CYS  14          1HB       CYS  14  -0.582   3.437   3.437
  109   2HB   CYS  14          2HB       CYS  14  -1.702   4.192   4.192
  110    H    ARG  15           H        ARG  15  -0.743   5.843   5.843
  111    HA   ARG  15           HA       ARG  15  -2.756   7.802   7.802
  112   1HB   ARG  15          1HB       ARG  15  -2.693   7.225   7.225
  113   2HB   ARG  15          2HB       ARG  15  -0.952   7.012   7.012
  114   1HG   ARG  15          1HG       ARG  15  -1.116   9.821   9.821
  115   2HG   ARG  15          2HG       ARG  15  -2.616   9.472   9.472
  116   1HD   ARG  15          1HD       ARG  15  -0.675   7.845   7.845
  117   2HD   ARG  15          2HD       ARG  15   0.194   9.357   9.357
  118    HE   ARG  15           HE       ARG  15  -2.195   9.036   9.036
  119   1HH1  ARG  15          1HH1      ARG  15  -0.195  11.319  11.319
  120   2HH1  ARG  15          2HH1      ARG  15  -0.758  12.719  12.719
  121   1HH2  ARG  15          1HH2      ARG  15  -2.761  10.599  10.599
  122   2HH2  ARG  15          2HH2      ARG  15  -2.151  12.333  12.333
  123    H    LEU  16           H        LEU  16   0.664   8.465   8.465
  124    HA   LEU  16           HA       LEU  16   0.227  11.399  11.399
  125   1HB   LEU  16          1HB       LEU  16   2.329  11.520  11.520
  126   2HB   LEU  16          2HB       LEU  16   2.052   9.819   9.819
  127    HG   LEU  16           HG       LEU  16   3.357   9.686   9.686
  128   1HD1  LEU  16          1HD1      LEU  16   3.853  12.214  12.214
  129   2HD1  LEU  16          2HD1      LEU  16   4.780  11.891  11.891
  130   3HD1  LEU  16          3HD1      LEU  16   5.313  11.198  11.198
  131   1HD2  LEU  16          1HD2      LEU  16   3.715   8.307   8.307
  132   2HD2  LEU  16          2HD2      LEU  16   5.252   8.834   8.834
  133   3HD2  LEU  16          3HD2      LEU  16   4.616   9.655   9.655
  134    H    LYS  17           H        LYS  17   1.570   8.944   8.944
  135    HA   LYS  17           HA       LYS  17   2.433  10.970  10.970
  136   1HB   LYS  17          1HB       LYS  17   2.897   8.130   8.130
  137   2HB   LYS  17          2HB       LYS  17   2.244   8.198   8.198
  138   1HG   LYS  17          1HG       LYS  17   4.235   9.029   9.029
  139   2HG   LYS  17          2HG       LYS  17   4.355  10.283  10.283
  140   1HD   LYS  17          1HD       LYS  17   5.029   7.917   7.917
  141   2HD   LYS  17          2HD       LYS  17   5.656   7.596   7.596
  142   1HE   LYS  17          1HE       LYS  17   7.336   9.182   9.182
  143   2HE   LYS  17          2HE       LYS  17   6.219  10.421  10.421
  144   1HZ   LYS  17          1HZ       LYS  17   6.254   8.914   8.914
  145   2HZ   LYS  17          2HZ       LYS  17   7.749   8.440   8.440
  146   3HZ   LYS  17          3HZ       LYS  17   7.449  10.063  10.063
  147    H    LYS  18           H        LYS  18  -0.392   9.233   9.233
  148    HA   LYS  18           HA       LYS  18  -2.395   8.854   8.854
  149   1HB   LYS  18          1HB       LYS  18  -1.459  11.319  11.319
  150   2HB   LYS  18          2HB       LYS  18  -3.047  10.566  10.566
  151   1HG   LYS  18          1HG       LYS  18  -3.490  11.087  11.087
  152   2HG   LYS  18          2HG       LYS  18  -1.859  11.731  11.731
  153   1HD   LYS  18          1HD       LYS  18  -4.300  12.896  12.896
  154   2HD   LYS  18          2HD       LYS  18  -3.355  13.601  13.601
  155   1HE   LYS  18          1HE       LYS  18  -1.995  13.063  13.063
  156   2HE   LYS  18          2HE       LYS  18  -2.951  14.531  14.531
  157   1HZ   LYS  18          1HZ       LYS  18  -0.704  13.665  13.665
  158   2HZ   LYS  18          2HZ       LYS  18  -0.642  14.867  14.867
  159   3HZ   LYS  18          3HZ       LYS  18  -1.613  15.068  15.068
  160    H    LEU  19           H        LEU  19  -1.239   6.985   6.985
  161    HA   LEU  19           HA       LEU  19  -1.303   6.668   6.668
  162   1HB   LEU  19          1HB       LEU  19   0.440   4.766   4.766
  163   2HB   LEU  19          2HB       LEU  19   0.464   5.032   5.032
  164    HG   LEU  19           HG       LEU  19   2.423   6.067   6.067
  165   1HD1  LEU  19          1HD1      LEU  19   0.669   8.017   8.017
  166   2HD1  LEU  19          2HD1      LEU  19   1.003   8.482   8.482
  167   3HD1  LEU  19          3HD1      LEU  19   2.323   8.451   8.451
  168   1HD2  LEU  19          1HD2      LEU  19   2.405   5.291   5.291
  169   2HD2  LEU  19          2HD2      LEU  19   3.272   6.832   6.832
  170   3HD2  LEU  19          3HD2      LEU  19   1.624   6.813   6.813
  171    H    LYS  20           H        LYS  20  -1.334   4.216   4.216
  172    HA   LYS  20           HA       LYS  20  -3.639   3.073   3.073
  173   1HB   LYS  20          1HB       LYS  20  -2.427   1.294   1.294
  174   2HB   LYS  20          2HB       LYS  20  -4.103   1.779   1.779
  175   1HG   LYS  20          1HG       LYS  20  -2.718   4.170   4.170
  176   2HG   LYS  20          2HG       LYS  20  -2.063   2.845   2.845
  177   1HD   LYS  20          1HD       LYS  20  -5.090   3.205   3.205
  178   2HD   LYS  20          2HD       LYS  20  -4.207   4.212   4.212
  179   1HE   LYS  20          1HE       LYS  20  -5.223   1.824   1.824
  180   2HE   LYS  20          2HE       LYS  20  -3.675   2.388   2.388
  181   1HZ   LYS  20          1HZ       LYS  20  -3.934   0.667   0.667
  182   2HZ   LYS  20          2HZ       LYS  20  -3.590   0.117   0.117
  183   3HZ   LYS  20          3HZ       LYS  20  -2.502   1.124   1.124
  184    H    CYS  21           H        CYS  21  -3.632   1.031   1.031
  185    HA   CYS  21           HA       CYS  21  -0.812   0.088   0.088
  186   1HB   CYS  21          1HB       CYS  21  -2.311   1.501   1.501
  187   2HB   CYS  21          2HB       CYS  21  -3.138  -0.042  -0.042
  188    H    SER  22           H        SER  22  -1.189  -1.338  -1.338
  189    HA   SER  22           HA       SER  22  -2.858  -3.593  -3.593
  190   1HB   SER  22          1HB       SER  22  -0.698  -4.989  -4.989
  191   2HB   SER  22          2HB       SER  22  -1.078  -3.639  -3.639
  192    HG   SER  22           HG       SER  22   0.620  -3.322  -3.322
  193    H    LYS  23           H        LYS  23  -0.338  -3.120  -3.120
  194    HA   LYS  23           HA       LYS  23  -0.708  -3.643  -3.643
  195   1HB   LYS  23          1HB       LYS  23  -2.992  -5.401  -5.401
  196   2HB   LYS  23          2HB       LYS  23  -2.491  -5.459  -5.459
  197   1HG   LYS  23          1HG       LYS  23  -3.315  -3.278  -3.278
  198   2HG   LYS  23          2HG       LYS  23  -2.953  -2.676  -2.676
  199   1HD   LYS  23          1HD       LYS  23  -4.985  -4.063  -4.063
  200   2HD   LYS  23          2HD       LYS  23  -5.319  -4.460  -4.460
  201   1HE   LYS  23          1HE       LYS  23  -6.295  -2.399  -2.399
  202   2HE   LYS  23          2HE       LYS  23  -4.832  -1.555  -1.555
  203   1HZ   LYS  23          1HZ       LYS  23  -6.603  -2.781  -2.781
  204   2HZ   LYS  23          2HZ       LYS  23  -6.992  -1.290  -1.290
  205   3HZ   LYS  23          3HZ       LYS  23  -5.541  -1.486  -1.486
  206    H    GLU  24           H        GLU  24   1.567  -4.680  -4.680
  207    HA   GLU  24           HA       GLU  24   1.469  -7.684  -7.684
  208   1HB   GLU  24          1HB       GLU  24   3.618  -7.475  -7.475
  209   2HB   GLU  24          2HB       GLU  24   2.005  -7.456  -7.456
  210   1HG   GLU  24          1HG       GLU  24   2.118  -5.105  -5.105
  211   2HG   GLU  24          2HG       GLU  24   3.472  -4.804  -4.804
  212    H    LYS  25           H        LYS  25   3.804  -8.452  -8.452
  213    HA   LYS  25           HA       LYS  25   4.643  -6.784  -6.784
  214   1HB   LYS  25          1HB       LYS  25   4.111  -9.834  -9.834
  215   2HB   LYS  25          2HB       LYS  25   4.703  -8.910  -8.910
  216   1HG   LYS  25          1HG       LYS  25   2.539  -8.375  -8.375
  217   2HG   LYS  25          2HG       LYS  25   2.284  -7.563  -7.563
  218   1HD   LYS  25          1HD       LYS  25   1.460  -9.689  -9.689
  219   2HD   LYS  25          2HD       LYS  25   1.963 -10.605 -10.605
  220   1HE   LYS  25          1HE       LYS  25  -0.142 -10.199 -10.199
  221   2HE   LYS  25          2HE       LYS  25   0.388  -8.531  -8.531
  222   1HZ   LYS  25          1HZ       LYS  25  -0.252  -8.144  -8.144
  223   2HZ   LYS  25          2HZ       LYS  25  -1.071  -9.610  -9.610
  224   3HZ   LYS  25          3HZ       LYS  25  -1.499  -8.348  -8.348
  225    HA   PRO  26           HA       PRO  26   6.048  -6.730  -6.730
  226   1HB   PRO  26          1HB       PRO  26   8.146  -4.965  -4.965
  227   2HB   PRO  26          2HB       PRO  26   8.307  -6.768  -6.768
  228   1HG   PRO  26          1HG       PRO  26   8.884  -5.656  -5.656
  229   2HG   PRO  26          2HG       PRO  26  10.045  -6.413  -6.413
  230   1HD   PRO  26          1HD       PRO  26   8.782  -7.730  -7.730
  231   2HD   PRO  26          2HD       PRO  26   8.784  -8.490  -8.490
  232    H    LYS  27           H        LYS  27   7.476  -5.083  -5.083
  233    HA   LYS  27           HA       LYS  27   5.668  -2.687  -2.687
  234   1HB   LYS  27          1HB       LYS  27   7.670  -2.198  -2.198
  235   2HB   LYS  27          2HB       LYS  27   7.459  -1.367  -1.367
  236   1HG   LYS  27          1HG       LYS  27   8.661  -3.826  -3.826
  237   2HG   LYS  27          2HG       LYS  27   9.409  -3.533  -3.533
  238   1HD   LYS  27          1HD       LYS  27  10.852  -2.115  -2.115
  239   2HD   LYS  27          2HD       LYS  27   9.503  -1.024  -1.024
  240   1HE   LYS  27          1HE       LYS  27   9.764  -1.550  -1.550
  241   2HE   LYS  27          2HE       LYS  27   9.155  -3.173  -3.173
  242   1HZ   LYS  27          1HZ       LYS  27  11.988  -2.509  -2.509
  243   2HZ   LYS  27          2HZ       LYS  27  11.473  -2.933  -2.933
  244   3HZ   LYS  27          3HZ       LYS  27  11.280  -4.011  -4.011
  245    H    CYS  28           H        CYS  28   4.333  -1.880  -1.880
  246    HA   CYS  28           HA       CYS  28   3.383  -3.592  -3.592
  247   1HB   CYS  28          1HB       CYS  28   2.874  -1.214  -1.214
  248   2HB   CYS  28          2HB       CYS  28   1.980  -1.690  -1.690
  249    H    ALA  29           H        ALA  29   3.551  -2.712  -2.712
  250    HA   ALA  29           HA       ALA  29   6.285  -3.150  -3.150
  251   1HB   ALA  29          1HB       ALA  29   4.157  -3.364  -3.364
  252   2HB   ALA  29          2HB       ALA  29   3.890  -1.609  -1.609
  253   3HB   ALA  29          3HB       ALA  29   5.296  -2.241  -2.241
  254    H    LYS  30           H        LYS  30   4.401  -0.276  -0.276
  255    HA   LYS  30           HA       LYS  30   6.164   1.784   1.784
  256   1HB   LYS  30          1HB       LYS  30   3.837   1.545   1.545
  257   2HB   LYS  30          2HB       LYS  30   5.006   2.083   2.083
  258   1HG   LYS  30          1HG       LYS  30   3.512   3.763   3.763
  259   2HG   LYS  30          2HG       LYS  30   4.906   4.257   4.257
  260   1HD   LYS  30          1HD       LYS  30   6.361   4.156   4.156
  261   2HD   LYS  30          2HD       LYS  30   5.285   3.059   3.059
  262   1HE   LYS  30          1HE       LYS  30   3.509   5.143   5.143
  263   2HE   LYS  30          2HE       LYS  30   5.003   6.089   6.089
  264   1HZ   LYS  30          1HZ       LYS  30   4.437   4.108   4.108
  265   2HZ   LYS  30          2HZ       LYS  30   4.181   5.766   5.766
  266   3HZ   LYS  30          3HZ       LYS  30   5.739   5.169   5.169
  267    H    CYS  31           H        CYS  31   6.062   0.747   0.747
  268    HA   CYS  31           HA       CYS  31   8.396   2.371   2.371
  269   1HB   CYS  31          1HB       CYS  31   7.261  -0.024  -0.024
  270   2HB   CYS  31          2HB       CYS  31   8.272   1.259   1.259
  271    H    LEU  32           H        LEU  32   8.058  -0.988  -0.988
  272    HA   LEU  32           HA       LEU  32  10.868  -1.693  -1.693
  273   1HB   LEU  32          1HB       LEU  32   8.719  -3.199  -3.199
  274   2HB   LEU  32          2HB       LEU  32   9.316  -2.855  -2.855
  275    HG   LEU  32           HG       LEU  32  11.628  -3.866  -3.866
  276   1HD1  LEU  32          1HD1      LEU  32  10.242  -4.476  -4.476
  277   2HD1  LEU  32          2HD1      LEU  32   9.289  -5.579  -5.579
  278   3HD1  LEU  32          3HD1      LEU  32  11.036  -5.871  -5.871
  279   1HD2  LEU  32          1HD2      LEU  32  10.601  -4.446  -4.446
  280   2HD2  LEU  32          2HD2      LEU  32  11.154  -5.891  -5.891
  281   3HD2  LEU  32          3HD2      LEU  32   9.421  -5.486  -5.486
  282    H    LYS  33           H        LYS  33   9.295  -0.126  -0.126
  283    HA   LYS  33           HA       LYS  33  11.715  -0.326  -0.326
  284   1HB   LYS  33          1HB       LYS  33   9.111   1.355   1.355
  285   2HB   LYS  33          2HB       LYS  33  10.398   1.525   1.525
  286   1HG   LYS  33          1HG       LYS  33  10.147  -1.197  -1.197
  287   2HG   LYS  33          2HG       LYS  33   8.565  -0.888  -0.888
  288   1HD   LYS  33          1HD       LYS  33   8.731   0.985   0.985
  289   2HD   LYS  33          2HD       LYS  33   9.615  -0.421  -0.421
  290   1HE   LYS  33          1HE       LYS  33   7.243  -1.413  -1.413
  291   2HE   LYS  33          2HE       LYS  33   6.710  -0.153  -0.153
  292   1HZ   LYS  33          1HZ       LYS  33   8.532  -1.534  -1.534
  293   2HZ   LYS  33          2HZ       LYS  33   7.793  -2.750  -2.750
  294   3HZ   LYS  33          3HZ       LYS  33   6.863  -1.731  -1.731
  295    H    ASN  34           H        ASN  34  10.515   1.809   1.809
  296    HA   ASN  34           HA       ASN  34  12.795   3.753   3.753
  297   1HB   ASN  34          1HB       ASN  34   9.908   4.243   4.243
  298   2HB   ASN  34          2HB       ASN  34  11.149   5.441   5.441
  299   1HD2  ASN  34          1HD2      ASN  34  10.172   5.043   5.043
  300   2HD2  ASN  34          2HD2      ASN  34  10.909   3.607   3.607
  301    H    ASN  35           H        ASN  35  12.550   1.352   1.352
  302    HA   ASN  35           HA       ASN  35  13.201   0.885   0.885
  303   1HB   ASN  35          1HB       ASN  35  15.478   1.208   1.208
  304   2HB   ASN  35          2HB       ASN  35  15.263   1.969   1.969
  305   1HD2  ASN  35          1HD2      ASN  35  15.967   5.198   5.198
  306   2HD2  ASN  35          2HD2      ASN  35  14.410   4.604   4.604
  307    H    TRP  36           H        TRP  36  11.201   1.556   1.556
  308    HA   TRP  36           HA       TRP  36  11.261   4.129   4.129
  309   1HB   TRP  36          1HB       TRP  36   9.062   2.888   2.888
  310   2HB   TRP  36          2HB       TRP  36   8.611   4.002   4.002
  311    HD1  TRP  36           HD1      TRP  36  11.571   5.743   5.743
  312    HE1  TRP  36           HE1      TRP  36  11.342   7.587   7.587
  313    HE3  TRP  36           HE3      TRP  36   7.288   3.907   3.907
  314    HZ2  TRP  36           HZ2      TRP  36   9.367   8.070   8.070
  315    HZ3  TRP  36           HZ3      TRP  36   6.371   4.989   4.989
  316    HH2  TRP  36           HH2      TRP  36   7.347   7.075   7.075
  317    H    GLU  37           H        GLU  37   9.295   4.049   4.049
  318    HA   GLU  37           HA       GLU  37   9.705   1.382   1.382
  319   1HB   GLU  37          1HB       GLU  37  10.639   3.643   3.643
  320   2HB   GLU  37          2HB       GLU  37   8.984   4.119   4.119
  321   1HG   GLU  37          1HG       GLU  37  10.428   3.065   3.065
  322   2HG   GLU  37          2HG       GLU  37   8.731   2.674   2.674
  323    H    CYS  38           H        CYS  38   7.957   0.974   0.974
  324    HA   CYS  38           HA       CYS  38   5.242   1.520   1.520
  325   1HB   CYS  38          1HB       CYS  38   6.395  -0.296  -0.296
  326   2HB   CYS  38          2HB       CYS  38   6.331  -1.391  -1.391
  327    H    ARG  39           H        ARG  39   4.534   2.241   2.241
  328    HA   ARG  39           HA       ARG  39   4.518   0.371   0.371
  329   1HB   ARG  39          1HB       ARG  39   5.131   2.722   2.722
  330   2HB   ARG  39          2HB       ARG  39   3.740   3.338   3.338
  331   1HG   ARG  39          1HG       ARG  39   2.353   3.130   3.130
  332   2HG   ARG  39          2HG       ARG  39   2.914   1.495   1.495
  333   1HD   ARG  39          1HD       ARG  39   3.430   3.627   3.627
  334   2HD   ARG  39          2HD       ARG  39   4.525   2.225   2.225
  335    HE   ARG  39           HE       ARG  39   4.894   4.909   4.909
  336   1HH1  ARG  39          1HH1      ARG  39   6.220   1.773   1.773
  337   2HH1  ARG  39          2HH1      ARG  39   7.912   2.287   2.287
  338   1HH2  ARG  39          1HH2      ARG  39   6.748   5.390   5.390
  339   2HH2  ARG  39          2HH2      ARG  39   8.205   4.250   4.250
  340    H    TYR  40           H        TYR  40   3.130  -1.080  -1.080
  341    HA   TYR  40           HA       TYR  40   0.474  -0.674  -0.674
  342   1HB   TYR  40          1HB       TYR  40   2.121  -3.153  -3.153
  343   2HB   TYR  40          2HB       TYR  40   0.421  -3.342  -3.342
  344    HD1  TYR  40           HD1      TYR  40   0.554  -1.125  -1.125
  345    HD2  TYR  40           HD2      TYR  40   2.755  -4.708  -4.708
  346    HE1  TYR  40           HE1      TYR  40   0.307  -1.876  -1.876
  347    HE2  TYR  40           HE2      TYR  40   2.634  -5.366  -5.366
  348    HH   TYR  40           HH       TYR  40   0.396  -4.933  -4.933
  349    H    SER  41           H        SER  41   0.537   0.672   0.672
  350    HA   SER  41           HA       SER  41  -0.061  -0.863  -0.863
  351   1HB   SER  41          1HB       SER  41  -1.534   1.462   1.462
  352   2HB   SER  41          2HB       SER  41   0.179   1.300   1.300
  353    HG   SER  41           HG       SER  41  -0.714   2.036   2.036
  354    HA   PRO  42           HA       PRO  42  -3.816  -2.946  -2.946
  355   1HB   PRO  42          1HB       PRO  42  -4.927  -2.640  -2.640
  356   2HB   PRO  42          2HB       PRO  42  -3.677  -3.956  -3.956
  357   1HG   PRO  42          1HG       PRO  42  -3.103  -1.157  -1.157
  358   2HG   PRO  42          2HG       PRO  42  -2.581  -2.900  -2.900
  359   1HD   PRO  42          1HD       PRO  42  -1.103  -1.082  -1.082
  360   2HD   PRO  42          2HD       PRO  42  -1.176  -2.840  -2.840
  361    H    LYS  43           H        LYS  43  -4.446  -0.326  -0.326
  362    HA   LYS  43           HA       LYS  43  -6.476   0.815   0.815
  363   1HB   LYS  43          1HB       LYS  43  -8.442   0.524   0.524
  364   2HB   LYS  43          2HB       LYS  43  -7.754  -1.060  -1.060
  365   1HG   LYS  43          1HG       LYS  43  -6.393  -0.210  -0.210
  366   2HG   LYS  43          2HG       LYS  43  -8.028   0.413   0.413
  367   1HD   LYS  43          1HD       LYS  43  -8.250  -2.326  -2.326
  368   2HD   LYS  43          2HD       LYS  43  -6.959  -2.309  -2.309
  369   1HE   LYS  43          1HE       LYS  43  -9.556  -0.765  -0.765
  370   2HE   LYS  43          2HE       LYS  43  -9.548  -2.522  -2.522
  371   1HZ   LYS  43          1HZ       LYS  43  -7.317  -0.952  -0.952
  372   2HZ   LYS  43          2HZ       LYS  43  -8.794  -0.979  -0.979
  373   3HZ   LYS  43          3HZ       LYS  43  -7.964  -2.414  -2.414

  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -23.890   9.719   9.719
    2   2H    MET   1          2H        MET   1 -24.340  10.879  10.879
    3   3H    MET   1          3H        MET   1 -22.756  10.317  10.317
    4    HA   MET   1           HA       MET   1 -23.536   9.167   9.167
    5   1HB   MET   1          1HB       MET   1 -25.851   9.868   9.868
    6   2HB   MET   1          2HB       MET   1 -26.164   9.277   9.277
    7   1HG   MET   1          1HG       MET   1 -27.329   7.745   7.745
    8   2HG   MET   1          2HG       MET   1 -25.891   6.863   6.863
    9   1HE   MET   1          1HE       MET   1 -27.481   9.140   9.140
   10   2HE   MET   1          2HE       MET   1 -26.719   8.793   8.793
   11   3HE   MET   1          3HE       MET   1 -25.890   9.858   9.858
   12    H    LYS   2           H        LYS   2 -24.791   8.009   8.009
   13    HA   LYS   2           HA       LYS   2 -23.424   5.355   5.355
   14   1HB   LYS   2          1HB       LYS   2 -25.591   5.132   5.132
   15   2HB   LYS   2          2HB       LYS   2 -25.321   6.484   6.484
   16   1HG   LYS   2          1HG       LYS   2 -23.373   4.926   4.926
   17   2HG   LYS   2          2HG       LYS   2 -24.188   3.624   3.624
   18   1HD   LYS   2          1HD       LYS   2 -25.718   3.480   3.480
   19   2HD   LYS   2          2HD       LYS   2 -26.167   5.187   5.187
   20   1HE   LYS   2          1HE       LYS   2 -23.570   4.334   4.334
   21   2HE   LYS   2          2HE       LYS   2 -25.102   4.536   4.536
   22   1HZ   LYS   2          1HZ       LYS   2 -24.005   6.658   6.658
   23   2HZ   LYS   2          2HZ       LYS   2 -23.634   6.544   6.544
   24   3HZ   LYS   2          3HZ       LYS   2 -25.225   6.789   6.789
   25    H    LEU   3           H        LEU   3 -21.405   5.216   5.216
   26    HA   LEU   3           HA       LEU   3 -20.133   6.067   6.067
   27   1HB   LEU   3          1HB       LEU   3 -20.059   8.231   8.231
   28   2HB   LEU   3          2HB       LEU   3 -19.402   7.447   7.447
   29    HG   LEU   3           HG       LEU   3 -17.228   7.333   7.333
   30   1HD1  LEU   3          1HD1      LEU   3 -18.544   7.181   7.181
   31   2HD1  LEU   3          2HD1      LEU   3 -16.828   7.630   7.630
   32   3HD1  LEU   3          3HD1      LEU   3 -17.389   6.062   6.062
   33   1HD2  LEU   3          1HD2      LEU   3 -18.224   9.812   9.812
   34   2HD2  LEU   3          2HD2      LEU   3 -16.630   9.533   9.533
   35   3HD2  LEU   3          3HD2      LEU   3 -18.055   9.717   9.717
   36    H    LEU   4           H        LEU   4 -20.478   3.650   3.650
   37    HA   LEU   4           HA       LEU   4 -17.761   2.790   2.790
   38   1HB   LEU   4          1HB       LEU   4 -20.163   2.101   2.101
   39   2HB   LEU   4          2HB       LEU   4 -20.168   0.912   0.912
   40    HG   LEU   4           HG       LEU   4 -17.732   0.288   0.288
   41   1HD1  LEU   4          1HD1      LEU   4 -19.050   1.980   1.980
   42   2HD1  LEU   4          2HD1      LEU   4 -18.206   0.513   0.513
   43   3HD1  LEU   4          3HD1      LEU   4 -17.323   1.767   1.767
   44   1HD2  LEU   4          1HD2      LEU   4 -20.519  -0.641  -0.641
   45   2HD2  LEU   4          2HD2      LEU   4 -19.120  -1.586  -1.586
   46   3HD2  LEU   4          3HD2      LEU   4 -19.241  -1.103  -1.103
   47    H    SER   5           H        SER   5 -18.494   0.029   0.029
   48    HA   SER   5           HA       SER   5 -18.808  -1.067  -1.067
   49   1HB   SER   5          1HB       SER   5 -19.433   1.331   1.331
   50   2HB   SER   5          2HB       SER   5 -17.781   1.342   1.342
   51    HG   SER   5           HG       SER   5 -18.491  -0.968  -0.968
   52    H    SER   6           H        SER   6 -16.136   1.272   1.272
   53    HA   SER   6           HA       SER   6 -14.247  -1.118  -1.118
   54   1HB   SER   6          1HB       SER   6 -15.021  -0.463  -0.463
   55   2HB   SER   6          2HB       SER   6 -14.038   0.981   0.981
   56    HG   SER   6           HG       SER   6 -12.284  -0.585  -0.585
   57    H    ILE   7           H        ILE   7 -12.996  -0.768  -0.768
   58    HA   ILE   7           HA       ILE   7 -11.200   1.614   1.614
   59    HB   ILE   7           HB       ILE   7 -13.340   2.302   2.302
   60   1HG1  ILE   7          1HG1      ILE   7 -12.068   3.877   3.877
   61   2HG1  ILE   7          2HG1      ILE   7 -10.618   2.909   2.909
   62   1HG2  ILE   7          1HG2      ILE   7 -13.147   0.238   0.238
   63   2HG2  ILE   7          2HG2      ILE   7 -11.890   1.210   1.210
   64   3HG2  ILE   7          3HG2      ILE   7 -13.559   1.801   1.801
   65   1HD1  ILE   7          1HD1      ILE   7 -11.783   4.012   4.012
   66   2HD1  ILE   7          2HD1      ILE   7 -10.815   5.067   5.067
   67   3HD1  ILE   7          3HD1      ILE   7 -10.105   3.582   3.582
   68    H    GLU   8           H        GLU   8 -10.014  -0.270  -0.270
   69    HA   GLU   8           HA       GLU   8  -8.993  -1.658  -1.658
   70   1HB   GLU   8          1HB       GLU   8 -10.451  -2.881  -2.881
   71   2HB   GLU   8          2HB       GLU   8  -8.892  -3.000  -3.000
   72   1HG   GLU   8          1HG       GLU   8 -10.020  -4.706  -4.706
   73   2HG   GLU   8          2HG       GLU   8  -8.564  -4.964  -4.964
   74    H    GLN   9           H        GLN   9  -7.199  -2.923  -2.923
   75    HA   GLN   9           HA       GLN   9  -4.894  -1.436  -1.436
   76   1HB   GLN   9          1HB       GLN   9  -5.447  -3.885  -3.885
   77   2HB   GLN   9          2HB       GLN   9  -4.164  -3.007  -3.007
   78   1HG   GLN   9          1HG       GLN   9  -2.649  -3.173  -3.173
   79   2HG   GLN   9          2HG       GLN   9  -3.940  -3.513  -3.513
   80   1HE2  GLN   9          1HE2      GLN   9  -3.080  -6.818  -6.818
   81   2HE2  GLN   9          2HE2      GLN   9  -3.582  -5.243  -5.243
   82    H    ALA  10           H        ALA  10  -3.112  -1.464  -1.464
   83    HA   ALA  10           HA       ALA  10  -2.703  -0.154  -0.154
   84   1HB   ALA  10          1HB       ALA  10  -4.952   0.886   0.886
   85   2HB   ALA  10          2HB       ALA  10  -4.638   1.901   1.901
   86   3HB   ALA  10          3HB       ALA  10  -3.718   2.159   2.159
   87    H    CYS  11           H        CYS  11  -0.612   0.740   0.740
   88    HA   CYS  11           HA       CYS  11   0.255   1.072   1.072
   89   1HB   CYS  11          1HB       CYS  11   2.525   1.175   1.175
   90   2HB   CYS  11          2HB       CYS  11   1.618  -0.093  -0.093
   91    H    ASP  12           H        ASP  12   1.872   2.844   2.844
   92    HA   ASP  12           HA       ASP  12   0.270   5.317   5.317
   93   1HB   ASP  12          1HB       ASP  12   1.879   4.757   4.757
   94   2HB   ASP  12          2HB       ASP  12   3.227   4.799   4.799
   95    H    ILE  13           H        ILE  13   3.221   4.329   4.329
   96    HA   ILE  13           HA       ILE  13   3.793   6.771   6.771
   97    HB   ILE  13           HB       ILE  13   4.230   3.836   3.836
   98   1HG1  ILE  13          1HG1      ILE  13   5.970   4.700   4.700
   99   2HG1  ILE  13          2HG1      ILE  13   6.682   4.634   4.634
  100   1HG2  ILE  13          1HG2      ILE  13   3.685   4.917   4.917
  101   2HG2  ILE  13          2HG2      ILE  13   5.055   6.027   6.027
  102   3HG2  ILE  13          3HG2      ILE  13   5.304   4.275   4.275
  103   1HD1  ILE  13          1HD1      ILE  13   5.799   7.232   7.232
  104   2HD1  ILE  13          2HD1      ILE  13   6.070   7.085   7.085
  105   3HD1  ILE  13          3HD1      ILE  13   7.405   6.764   6.764
  106    H    CYS  14           H        CYS  14   1.306   4.491   4.491
  107    HA   CYS  14           HA       CYS  14   0.784   5.805   5.805
  108   1HB   CYS  14          1HB       CYS  14  -0.550   3.512   3.512
  109   2HB   CYS  14          2HB       CYS  14  -1.380   4.238   4.238
  110    H    ARG  15           H        ARG  15  -0.605   5.848   5.848
  111    HA   ARG  15           HA       ARG  15  -2.709   7.694   7.694
  112   1HB   ARG  15          1HB       ARG  15  -2.542   7.066   7.066
  113   2HB   ARG  15          2HB       ARG  15  -0.789   7.067   7.067
  114   1HG   ARG  15          1HG       ARG  15  -1.236   9.826   9.826
  115   2HG   ARG  15          2HG       ARG  15  -2.733   9.332   9.332
  116   1HD   ARG  15          1HD       ARG  15  -0.424   7.942   7.942
  117   2HD   ARG  15          2HD       ARG  15  -0.152   9.703   9.703
  118    HE   ARG  15           HE       ARG  15  -1.983   8.336   8.336
  119   1HH1  ARG  15          1HH1      ARG  15  -2.083  11.109  11.109
  120   2HH1  ARG  15          2HH1      ARG  15  -3.409  11.913  11.913
  121   1HH2  ARG  15          1HH2      ARG  15  -3.411   9.269   9.269
  122   2HH2  ARG  15          2HH2      ARG  15  -4.133  10.919  10.919
  123    H    LEU  16           H        LEU  16   0.714   8.538   8.538
  124    HA   LEU  16           HA       LEU  16   0.085  11.438  11.438
  125   1HB   LEU  16          1HB       LEU  16   2.696   9.805   9.805
  126   2HB   LEU  16          2HB       LEU  16   2.722  11.555  11.555
  127    HG   LEU  16           HG       LEU  16   1.451  11.592  11.592
  128   1HD1  LEU  16          1HD1      LEU  16   0.664   9.206   9.206
  129   2HD1  LEU  16          2HD1      LEU  16   2.346   8.626   8.626
  130   3HD1  LEU  16          3HD1      LEU  16   1.640   9.525   9.525
  131   1HD2  LEU  16          1HD2      LEU  16   4.329  10.439  10.439
  132   2HD2  LEU  16          2HD2      LEU  16   3.867  12.159  12.159
  133   3HD2  LEU  16          3HD2      LEU  16   3.566  11.164  11.164
  134    H    LYS  17           H        LYS  17   1.530   9.168   9.168
  135    HA   LYS  17           HA       LYS  17   2.205  11.381  11.381
  136   1HB   LYS  17          1HB       LYS  17   2.285   8.316   8.316
  137   2HB   LYS  17          2HB       LYS  17   3.055   9.516   9.516
  138   1HG   LYS  17          1HG       LYS  17   3.787   9.454   9.454
  139   2HG   LYS  17          2HG       LYS  17   4.428   8.195   8.195
  140   1HD   LYS  17          1HD       LYS  17   4.779  11.247  11.247
  141   2HD   LYS  17          2HD       LYS  17   5.985  10.141  10.141
  142   1HE   LYS  17          1HE       LYS  17   6.440   9.064   9.064
  143   2HE   LYS  17          2HE       LYS  17   4.851   9.444   9.444
  144   1HZ   LYS  17          1HZ       LYS  17   5.815  11.905  11.905
  145   2HZ   LYS  17          2HZ       LYS  17   7.238  11.079  11.079
  146   3HZ   LYS  17          3HZ       LYS  17   5.971  11.072  11.072
  147    H    LYS  18           H        LYS  18  -0.489   9.457   9.457
  148    HA   LYS  18           HA       LYS  18  -2.521   9.114   9.114
  149   1HB   LYS  18          1HB       LYS  18  -1.562  11.611  11.611
  150   2HB   LYS  18          2HB       LYS  18  -2.964  10.692  10.692
  151   1HG   LYS  18          1HG       LYS  18  -3.965  10.998  10.998
  152   2HG   LYS  18          2HG       LYS  18  -2.582  12.018  12.018
  153   1HD   LYS  18          1HD       LYS  18  -4.039  12.840  12.840
  154   2HD   LYS  18          2HD       LYS  18  -5.077  12.803  12.803
  155   1HE   LYS  18          1HE       LYS  18  -3.592  14.317  14.317
  156   2HE   LYS  18          2HE       LYS  18  -2.298  14.181  14.181
  157   1HZ   LYS  18          1HZ       LYS  18  -4.879  15.043  15.043
  158   2HZ   LYS  18          2HZ       LYS  18  -4.101  16.124  16.124
  159   3HZ   LYS  18          3HZ       LYS  18  -3.327  15.580  15.580
  160    H    LEU  19           H        LEU  19  -1.613   7.181   7.181
  161    HA   LEU  19           HA       LEU  19  -0.946   6.658   6.658
  162   1HB   LEU  19          1HB       LEU  19   0.565   5.650   5.650
  163   2HB   LEU  19          2HB       LEU  19   0.615   4.738   4.738
  164    HG   LEU  19           HG       LEU  19   2.295   5.987   5.987
  165   1HD1  LEU  19          1HD1      LEU  19   0.736   7.862   7.862
  166   2HD1  LEU  19          2HD1      LEU  19   0.931   8.588   8.588
  167   3HD1  LEU  19          3HD1      LEU  19   2.319   8.492   8.492
  168   1HD2  LEU  19          1HD2      LEU  19   2.262   6.995   6.995
  169   2HD2  LEU  19          2HD2      LEU  19   3.365   5.831   5.831
  170   3HD2  LEU  19          3HD2      LEU  19   3.512   7.552   7.552
  171    H    LYS  20           H        LYS  20  -1.136   4.435   4.435
  172    HA   LYS  20           HA       LYS  20  -3.441   3.102   3.102
  173   1HB   LYS  20          1HB       LYS  20  -1.865   2.405   2.405
  174   2HB   LYS  20          2HB       LYS  20  -3.077   1.319   1.319
  175   1HG   LYS  20          1HG       LYS  20  -4.888   2.743   2.743
  176   2HG   LYS  20          2HG       LYS  20  -3.944   4.217   4.217
  177   1HD   LYS  20          1HD       LYS  20  -3.798   2.196   2.196
  178   2HD   LYS  20          2HD       LYS  20  -4.583   3.787   3.787
  179   1HE   LYS  20          1HE       LYS  20  -2.487   4.996   4.996
  180   2HE   LYS  20          2HE       LYS  20  -1.605   3.590   3.590
  181   1HZ   LYS  20          1HZ       LYS  20  -2.863   3.396   3.396
  182   2HZ   LYS  20          2HZ       LYS  20  -1.431   4.261   4.261
  183   3HZ   LYS  20          3HZ       LYS  20  -1.486   2.636   2.636
  184    H    CYS  21           H        CYS  21  -3.392   0.896   0.896
  185    HA   CYS  21           HA       CYS  21  -0.599  -0.005  -0.005
  186   1HB   CYS  21          1HB       CYS  21  -1.883   1.566   1.566
  187   2HB   CYS  21          2HB       CYS  21  -2.896   0.153   0.153
  188    H    SER  22           H        SER  22  -1.182  -1.516  -1.516
  189    HA   SER  22           HA       SER  22  -2.863  -3.747  -3.747
  190   1HB   SER  22          1HB       SER  22  -0.785  -5.219  -5.219
  191   2HB   SER  22          2HB       SER  22  -1.207  -3.921  -3.921
  192    HG   SER  22           HG       SER  22   0.500  -2.735  -2.735
  193    H    LYS  23           H        LYS  23  -0.438  -2.924  -2.924
  194    HA   LYS  23           HA       LYS  23  -0.602  -3.465  -3.465
  195   1HB   LYS  23          1HB       LYS  23  -2.820  -5.384  -5.384
  196   2HB   LYS  23          2HB       LYS  23  -2.341  -5.331  -5.331
  197   1HG   LYS  23          1HG       LYS  23  -2.774  -2.562  -2.562
  198   2HG   LYS  23          2HG       LYS  23  -4.095  -3.484  -3.484
  199   1HD   LYS  23          1HD       LYS  23  -4.399  -4.480  -4.480
  200   2HD   LYS  23          2HD       LYS  23  -3.291  -3.196  -3.196
  201   1HE   LYS  23          1HE       LYS  23  -6.055  -2.830  -2.830
  202   2HE   LYS  23          2HE       LYS  23  -4.879  -1.506  -1.506
  203   1HZ   LYS  23          1HZ       LYS  23  -5.612  -3.027  -3.027
  204   2HZ   LYS  23          2HZ       LYS  23  -6.400  -1.625  -1.625
  205   3HZ   LYS  23          3HZ       LYS  23  -4.766  -1.578  -1.578
  206    H    GLU  24           H        GLU  24   0.531  -5.472  -5.472
  207    HA   GLU  24           HA       GLU  24   1.422  -7.778  -7.778
  208   1HB   GLU  24          1HB       GLU  24   3.764  -7.301  -7.301
  209   2HB   GLU  24          2HB       GLU  24   2.358  -7.652  -7.652
  210   1HG   GLU  24          1HG       GLU  24   2.115  -5.248  -5.248
  211   2HG   GLU  24          2HG       GLU  24   3.357  -4.761  -4.761
  212    H    LYS  25           H        LYS  25   3.448  -8.325  -8.325
  213    HA   LYS  25           HA       LYS  25   4.213  -6.273  -6.273
  214   1HB   LYS  25          1HB       LYS  25   3.079  -9.103  -9.103
  215   2HB   LYS  25          2HB       LYS  25   3.784  -8.069  -8.069
  216   1HG   LYS  25          1HG       LYS  25   1.862  -6.738  -6.738
  217   2HG   LYS  25          2HG       LYS  25   1.653  -6.667  -6.667
  218   1HD   LYS  25          1HD       LYS  25  -0.270  -7.825  -7.825
  219   2HD   LYS  25          2HD       LYS  25   0.788  -9.182  -9.182
  220   1HE   LYS  25          1HE       LYS  25   1.030  -9.888  -9.888
  221   2HE   LYS  25          2HE       LYS  25   1.280  -8.245  -8.245
  222   1HZ   LYS  25          1HZ       LYS  25  -1.212  -7.947  -7.947
  223   2HZ   LYS  25          2HZ       LYS  25  -1.274  -9.627  -9.627
  224   3HZ   LYS  25          3HZ       LYS  25  -0.757  -8.830  -8.830
  225    HA   PRO  26           HA       PRO  26   5.334  -6.572  -6.572
  226   1HB   PRO  26          1HB       PRO  26   7.706  -5.239  -5.239
  227   2HB   PRO  26          2HB       PRO  26   7.426  -7.012  -7.012
  228   1HG   PRO  26          1HG       PRO  26   8.585  -6.172  -6.172
  229   2HG   PRO  26          2HG       PRO  26   9.394  -7.070  -7.070
  230   1HD   PRO  26          1HD       PRO  26   8.184  -8.251  -8.251
  231   2HD   PRO  26          2HD       PRO  26   7.772  -8.862  -8.862
  232    H    LYS  27           H        LYS  27   7.378  -5.371  -5.371
  233    HA   LYS  27           HA       LYS  27   5.782  -2.754  -2.754
  234   1HB   LYS  27          1HB       LYS  27   8.149  -2.940  -2.940
  235   2HB   LYS  27          2HB       LYS  27   7.679  -1.637  -1.637
  236   1HG   LYS  27          1HG       LYS  27   8.773  -2.658  -2.658
  237   2HG   LYS  27          2HG       LYS  27   8.751  -4.264  -4.264
  238   1HD   LYS  27          1HD       LYS  27  10.781  -3.888  -3.888
  239   2HD   LYS  27          2HD       LYS  27  10.358  -2.229  -2.229
  240   1HE   LYS  27          1HE       LYS  27  11.668  -1.457  -1.457
  241   2HE   LYS  27          2HE       LYS  27  10.468  -2.105  -2.105
  242   1HZ   LYS  27          1HZ       LYS  27  11.968  -4.273  -4.273
  243   2HZ   LYS  27          2HZ       LYS  27  13.063  -3.058  -3.058
  244   3HZ   LYS  27          3HZ       LYS  27  11.952  -3.591  -3.591
  245    H    CYS  28           H        CYS  28   4.461  -2.175  -2.175
  246    HA   CYS  28           HA       CYS  28   3.634  -3.949  -3.949
  247   1HB   CYS  28          1HB       CYS  28   2.994  -1.681  -1.681
  248   2HB   CYS  28          2HB       CYS  28   2.177  -2.120  -2.120
  249    H    ALA  29           H        ALA  29   3.776  -3.096  -3.096
  250    HA   ALA  29           HA       ALA  29   6.459  -3.554  -3.554
  251   1HB   ALA  29          1HB       ALA  29   4.305  -3.615  -3.615
  252   2HB   ALA  29          2HB       ALA  29   4.124  -1.854  -1.854
  253   3HB   ALA  29          3HB       ALA  29   5.484  -2.519  -2.519
  254    H    LYS  30           H        LYS  30   4.719  -0.621  -0.621
  255    HA   LYS  30           HA       LYS  30   6.729   1.141   1.141
  256   1HB   LYS  30          1HB       LYS  30   4.230   1.643   1.643
  257   2HB   LYS  30          2HB       LYS  30   4.693   1.911   1.911
  258   1HG   LYS  30          1HG       LYS  30   6.041   3.864   3.864
  259   2HG   LYS  30          2HG       LYS  30   6.207   3.387   3.387
  260   1HD   LYS  30          1HD       LYS  30   3.944   4.178   4.178
  261   2HD   LYS  30          2HD       LYS  30   3.505   4.247   4.247
  262   1HE   LYS  30          1HE       LYS  30   4.372   6.375   6.375
  263   2HE   LYS  30          2HE       LYS  30   5.964   5.822   5.822
  264   1HZ   LYS  30          1HZ       LYS  30   4.067   5.977   5.977
  265   2HZ   LYS  30          2HZ       LYS  30   4.306   7.453   7.453
  266   3HZ   LYS  30          3HZ       LYS  30   5.617   6.617   6.617
  267    H    CYS  31           H        CYS  31   6.164   0.500   0.500
  268    HA   CYS  31           HA       CYS  31   8.354   2.274   2.274
  269   1HB   CYS  31          1HB       CYS  31   7.324  -0.246  -0.246
  270   2HB   CYS  31          2HB       CYS  31   8.276   1.045   1.045
  271    H    LEU  32           H        LEU  32   8.208  -1.041  -1.041
  272    HA   LEU  32           HA       LEU  32  11.066  -1.601  -1.601
  273   1HB   LEU  32          1HB       LEU  32   9.285  -3.386  -3.386
  274   2HB   LEU  32          2HB       LEU  32   9.202  -2.791  -2.791
  275    HG   LEU  32           HG       LEU  32  11.581  -4.220  -4.220
  276   1HD1  LEU  32          1HD1      LEU  32   9.647  -5.691  -5.691
  277   2HD1  LEU  32          2HD1      LEU  32   9.698  -5.068  -5.068
  278   3HD1  LEU  32          3HD1      LEU  32  11.059  -6.017  -6.017
  279   1HD2  LEU  32          1HD2      LEU  32  11.399  -3.060  -3.060
  280   2HD2  LEU  32          2HD2      LEU  32  12.528  -2.561  -2.561
  281   3HD2  LEU  32          3HD2      LEU  32  12.671  -4.173  -4.173
  282    H    LYS  33           H        LYS  33   9.367  -0.020  -0.020
  283    HA   LYS  33           HA       LYS  33  11.704  -0.082  -0.082
  284   1HB   LYS  33          1HB       LYS  33   9.075   1.569   1.569
  285   2HB   LYS  33          2HB       LYS  33  10.307   1.828   1.828
  286   1HG   LYS  33          1HG       LYS  33   9.995  -0.976  -0.976
  287   2HG   LYS  33          2HG       LYS  33   8.374  -0.480  -0.480
  288   1HD   LYS  33          1HD       LYS  33   8.045   0.719   0.719
  289   2HD   LYS  33          2HD       LYS  33   9.784   0.941   0.941
  290   1HE   LYS  33          1HE       LYS  33   9.100  -0.833  -0.833
  291   2HE   LYS  33          2HE       LYS  33  10.013  -1.640  -1.640
  292   1HZ   LYS  33          1HZ       LYS  33   7.608  -1.720  -1.720
  293   2HZ   LYS  33          2HZ       LYS  33   7.143  -1.691  -1.691
  294   3HZ   LYS  33          3HZ       LYS  33   8.166  -2.903  -2.903
  295    H    ASN  34           H        ASN  34  10.617   1.892   1.892
  296    HA   ASN  34           HA       ASN  34  12.725   3.993   3.993
  297   1HB   ASN  34          1HB       ASN  34   9.890   4.194   4.194
  298   2HB   ASN  34          2HB       ASN  34  11.042   5.419   5.419
  299   1HD2  ASN  34          1HD2      ASN  34   9.165   5.818   5.818
  300   2HD2  ASN  34          2HD2      ASN  34   8.629   4.699   4.699
  301    H    ASN  35           H        ASN  35  12.575   1.440   1.440
  302    HA   ASN  35           HA       ASN  35  13.032   0.865   0.865
  303   1HB   ASN  35          1HB       ASN  35  15.229   1.390   1.390
  304   2HB   ASN  35          2HB       ASN  35  14.994   3.142   3.142
  305   1HD2  ASN  35          1HD2      ASN  35  17.092   1.673   1.673
  306   2HD2  ASN  35          2HD2      ASN  35  17.503   2.274   2.274
  307    H    TRP  36           H        TRP  36  11.102   1.415   1.415
  308    HA   TRP  36           HA       TRP  36  11.150   4.054   4.054
  309   1HB   TRP  36          1HB       TRP  36   8.956   2.752   2.752
  310   2HB   TRP  36          2HB       TRP  36   8.473   3.842   3.842
  311    HD1  TRP  36           HD1      TRP  36  11.429   5.627   5.627
  312    HE1  TRP  36           HE1      TRP  36  11.101   7.539   7.539
  313    HE3  TRP  36           HE3      TRP  36   7.139   3.760   3.760
  314    HZ2  TRP  36           HZ2      TRP  36   9.045   8.049   8.049
  315    HZ3  TRP  36           HZ3      TRP  36   6.008   5.005   5.005
  316    HH2  TRP  36           HH2      TRP  36   6.983   7.077   7.077
  317    H    GLU  37           H        GLU  37   9.229   4.035   4.035
  318    HA   GLU  37           HA       GLU  37   9.531   1.408   1.408
  319   1HB   GLU  37          1HB       GLU  37  10.426   3.540   3.540
  320   2HB   GLU  37          2HB       GLU  37   8.841   4.274   4.274
  321   1HG   GLU  37          1HG       GLU  37   7.987   2.385   2.385
  322   2HG   GLU  37          2HG       GLU  37   9.647   1.880   1.880
  323    H    CYS  38           H        CYS  38   7.879   0.954   0.954
  324    HA   CYS  38           HA       CYS  38   5.134   1.461   1.461
  325   1HB   CYS  38          1HB       CYS  38   6.313  -0.274  -0.274
  326   2HB   CYS  38          2HB       CYS  38   6.345  -1.406  -1.406
  327    H    ARG  39           H        ARG  39   4.373   2.108   2.108
  328    HA   ARG  39           HA       ARG  39   4.502   0.196   0.196
  329   1HB   ARG  39          1HB       ARG  39   5.008   2.947   2.947
  330   2HB   ARG  39          2HB       ARG  39   3.327   2.987   2.987
  331   1HG   ARG  39          1HG       ARG  39   4.847   1.064   1.064
  332   2HG   ARG  39          2HG       ARG  39   5.679   2.614   2.614
  333   1HD   ARG  39          1HD       ARG  39   3.416   3.741   3.741
  334   2HD   ARG  39          2HD       ARG  39   2.743   2.105   2.105
  335    HE   ARG  39           HE       ARG  39   5.240   2.226   2.226
  336   1HH1  ARG  39          1HH1      ARG  39   2.073   3.630   3.630
  337   2HH1  ARG  39          2HH1      ARG  39   2.207   3.844   3.844
  338   1HH2  ARG  39          1HH2      ARG  39   5.314   2.491   2.491
  339   2HH2  ARG  39          2HH2      ARG  39   3.966   3.226   3.226
  340    H    TYR  40           H        TYR  40   3.013  -1.204  -1.204
  341    HA   TYR  40           HA       TYR  40   0.227  -0.395  -0.395
  342   1HB   TYR  40          1HB       TYR  40   1.497  -3.184  -3.184
  343   2HB   TYR  40          2HB       TYR  40  -0.186  -2.986  -2.986
  344    HD1  TYR  40           HD1      TYR  40  -0.479  -1.305  -1.305
  345    HD2  TYR  40           HD2      TYR  40   2.508  -4.279  -4.279
  346    HE1  TYR  40           HE1      TYR  40   0.040  -1.470  -1.470
  347    HE2  TYR  40           HE2      TYR  40   2.892  -4.557  -4.557
  348    HH   TYR  40           HH       TYR  40   1.289  -3.362  -3.362
  349    H    SER  41           H        SER  41  -1.587  -0.865  -0.865
  350    HA   SER  41           HA       SER  41  -1.075  -1.061  -1.061
  351   1HB   SER  41          1HB       SER  41  -1.462   1.306   1.306
  352   2HB   SER  41          2HB       SER  41  -2.834   0.989   0.989
  353    HG   SER  41           HG       SER  41  -4.018   1.096   1.096
  354    HA   PRO  42           HA       PRO  42  -4.056  -4.339  -4.339
  355   1HB   PRO  42          1HB       PRO  42  -2.982  -6.279  -6.279
  356   2HB   PRO  42          2HB       PRO  42  -2.372  -5.927  -5.927
  357   1HG   PRO  42          1HG       PRO  42  -1.303  -4.722  -4.722
  358   2HG   PRO  42          2HG       PRO  42  -0.450  -5.694  -5.694
  359   1HD   PRO  42          1HD       PRO  42  -0.531  -2.954  -2.954
  360   2HD   PRO  42          2HD       PRO  42  -0.744  -3.702  -3.702
  361    H    LYS  43           H        LYS  43  -2.827  -4.712  -4.712
  362    HA   LYS  43           HA       LYS  43  -5.782  -4.820  -4.820
  363   1HB   LYS  43          1HB       LYS  43  -3.775  -6.873  -6.873
  364   2HB   LYS  43          2HB       LYS  43  -3.889  -6.248  -6.248
  365   1HG   LYS  43          1HG       LYS  43  -6.356  -7.151  -7.151
  366   2HG   LYS  43          2HG       LYS  43  -5.470  -8.219  -8.219
  367   1HD   LYS  43          1HD       LYS  43  -6.359  -7.153  -7.153
  368   2HD   LYS  43          2HD       LYS  43  -6.496  -5.574  -5.574
  369   1HE   LYS  43          1HE       LYS  43  -8.305  -6.692  -6.692
  370   2HE   LYS  43          2HE       LYS  43  -8.339  -8.033  -8.033
  371   1HZ   LYS  43          1HZ       LYS  43  -8.756  -5.180  -5.180
  372   2HZ   LYS  43          2HZ       LYS  43  -9.974  -6.317  -6.317
  373   3HZ   LYS  43          3HZ       LYS  43  -8.873  -6.504  -6.504

  Start of MODEL   20
    1   1H    MET   1          1H        MET   1  -1.767 -19.409 -19.409
    2   2H    MET   1          2H        MET   1  -2.105 -20.722 -20.722
    3   3H    MET   1          3H        MET   1  -1.013 -19.546 -19.546
    4    HA   MET   1           HA       MET   1  -2.672 -17.907 -17.907
    5   1HB   MET   1          1HB       MET   1  -4.296 -19.252 -19.252
    6   2HB   MET   1          2HB       MET   1  -2.605 -19.045 -19.045
    7   1HG   MET   1          1HG       MET   1  -3.306 -21.595 -21.595
    8   2HG   MET   1          2HG       MET   1  -3.830 -21.445 -21.445
    9   1HE   MET   1          1HE       MET   1  -2.099 -23.586 -23.586
   10   2HE   MET   1          2HE       MET   1  -2.100 -23.579 -23.579
   11   3HE   MET   1          3HE       MET   1  -0.552 -23.698 -23.698
   12    H    LYS   2           H        LYS   2  -3.107 -18.217 -18.217
   13    HA   LYS   2           HA       LYS   2  -5.495 -19.643 -19.643
   14   1HB   LYS   2          1HB       LYS   2  -3.737 -17.482 -17.482
   15   2HB   LYS   2          2HB       LYS   2  -5.410 -17.227 -17.227
   16   1HG   LYS   2          1HG       LYS   2  -3.752 -19.808 -19.808
   17   2HG   LYS   2          2HG       LYS   2  -4.177 -18.606 -18.606
   18   1HD   LYS   2          1HD       LYS   2  -6.504 -19.309 -19.309
   19   2HD   LYS   2          2HD       LYS   2  -6.321 -20.137 -20.137
   20   1HE   LYS   2          1HE       LYS   2  -6.298 -21.830 -21.830
   21   2HE   LYS   2          2HE       LYS   2  -4.734 -21.825 -21.825
   22   1HZ   LYS   2          1HZ       LYS   2  -5.122 -20.021 -20.021
   23   2HZ   LYS   2          2HZ       LYS   2  -4.832 -21.657 -21.657
   24   3HZ   LYS   2          3HZ       LYS   2  -3.713 -20.730 -20.730
   25    H    LEU   3           H        LEU   3  -7.411 -18.430 -18.430
   26    HA   LEU   3           HA       LEU   3  -8.595 -17.012 -17.012
   27   1HB   LEU   3          1HB       LEU   3  -9.387 -19.433 -19.433
   28   2HB   LEU   3          2HB       LEU   3 -10.335 -18.400 -18.400
   29    HG   LEU   3           HG       LEU   3 -11.664 -17.536 -17.536
   30   1HD1  LEU   3          1HD1      LEU   3  -9.465 -18.661 -18.661
   31   2HD1  LEU   3          2HD1      LEU   3 -11.093 -18.286 -18.286
   32   3HD1  LEU   3          3HD1      LEU   3 -10.100 -17.000 -17.000
   33   1HD2  LEU   3          1HD2      LEU   3 -11.153 -20.550 -20.550
   34   2HD2  LEU   3          2HD2      LEU   3 -12.382 -19.840 -19.840
   35   3HD2  LEU   3          3HD2      LEU   3 -12.520 -19.662 -19.662
   36    H    LEU   4           H        LEU   4  -8.467 -17.049 -17.049
   37    HA   LEU   4           HA       LEU   4 -10.230 -14.564 -14.564
   38   1HB   LEU   4          1HB       LEU   4  -9.307 -16.424 -16.424
   39   2HB   LEU   4          2HB       LEU   4 -10.258 -14.974 -14.974
   40    HG   LEU   4           HG       LEU   4 -12.132 -16.191 -16.191
   41   1HD1  LEU   4          1HD1      LEU   4 -11.295 -16.119 -16.119
   42   2HD1  LEU   4          2HD1      LEU   4 -12.230 -17.584 -17.584
   43   3HD1  LEU   4          3HD1      LEU   4 -12.916 -15.987 -15.987
   44   1HD2  LEU   4          1HD2      LEU   4 -10.208 -18.253 -18.253
   45   2HD2  LEU   4          2HD2      LEU   4 -11.973 -18.455 -18.455
   46   3HD2  LEU   4          3HD2      LEU   4 -11.175 -18.772 -18.772
   47    H    SER   5           H        SER   5  -7.989 -15.134 -15.134
   48    HA   SER   5           HA       SER   5  -6.939 -13.230 -13.230
   49   1HB   SER   5          1HB       SER   5  -5.395 -15.000 -15.000
   50   2HB   SER   5          2HB       SER   5  -4.845 -13.503 -13.503
   51    HG   SER   5           HG       SER   5  -4.950 -13.102 -13.102
   52    H    SER   6           H        SER   6  -8.851 -12.010 -12.010
   53    HA   SER   6           HA       SER   6  -9.300  -9.725  -9.725
   54   1HB   SER   6          1HB       SER   6  -8.132  -8.776  -8.776
   55   2HB   SER   6          2HB       SER   6  -6.641  -9.642  -9.642
   56    HG   SER   6           HG       SER   6  -5.954  -7.974  -7.974
   57    H    ILE   7           H        ILE   7  -8.606  -7.762  -7.762
   58    HA   ILE   7           HA       ILE   7  -6.895  -7.965  -7.965
   59    HB   ILE   7           HB       ILE   7  -9.554  -8.426  -8.426
   60   1HG1  ILE   7          1HG1      ILE   7  -7.959 -10.997 -10.997
   61   2HG1  ILE   7          2HG1      ILE   7  -9.192 -10.540 -10.540
   62   1HG2  ILE   7          1HG2      ILE   7  -6.583  -8.966  -8.966
   63   2HG2  ILE   7          2HG2      ILE   7  -7.858  -9.615  -9.615
   64   3HG2  ILE   7          3HG2      ILE   7  -7.720  -7.852  -7.852
   65   1HD1  ILE   7          1HD1      ILE   7 -10.069 -10.550 -10.550
   66   2HD1  ILE   7          2HD1      ILE   7  -9.868 -12.087 -12.087
   67   3HD1  ILE   7          3HD1      ILE   7 -11.004 -10.870 -10.870
   68    H    GLU   8           H        GLU   8  -6.759  -5.732  -5.732
   69    HA   GLU   8           HA       GLU   8  -8.628  -4.095  -4.095
   70   1HB   GLU   8          1HB       GLU   8  -9.522  -4.844  -4.844
   71   2HB   GLU   8          2HB       GLU   8  -9.257  -3.117  -3.117
   72   1HG   GLU   8          1HG       GLU   8 -10.818  -3.638  -3.638
   73   2HG   GLU   8          2HG       GLU   8 -11.509  -4.682  -4.682
   74    H    GLN   9           H        GLN   9  -6.317  -4.252  -4.252
   75    HA   GLN   9           HA       GLN   9  -5.893  -1.528  -1.528
   76   1HB   GLN   9          1HB       GLN   9  -3.516  -2.228  -2.228
   77   2HB   GLN   9          2HB       GLN   9  -4.702  -3.393  -3.393
   78   1HG   GLN   9          1HG       GLN   9  -3.465  -3.882  -3.882
   79   2HG   GLN   9          2HG       GLN   9  -2.439  -4.146  -4.146
   80   1HE2  GLN   9          1HE2      GLN   9  -4.795  -7.093  -7.093
   81   2HE2  GLN   9          2HE2      GLN   9  -4.280  -5.618  -5.618
   82    H    ALA  10           H        ALA  10  -4.061  -0.173  -0.173
   83    HA   ALA  10           HA       ALA  10  -2.807  -0.356  -0.356
   84   1HB   ALA  10          1HB       ALA  10  -4.935   0.861   0.861
   85   2HB   ALA  10          2HB       ALA  10  -4.602   2.067   2.067
   86   3HB   ALA  10          3HB       ALA  10  -3.563   1.973   1.973
   87    H    CYS  11           H        CYS  11  -0.812   0.782   0.782
   88    HA   CYS  11           HA       CYS  11   0.244   0.971   0.971
   89   1HB   CYS  11          1HB       CYS  11   2.456   1.158   1.158
   90   2HB   CYS  11          2HB       CYS  11   1.499  -0.132  -0.132
   91    H    ASP  12           H        ASP  12   1.882   2.586   2.586
   92    HA   ASP  12           HA       ASP  12   0.670   5.189   5.189
   93   1HB   ASP  12          1HB       ASP  12   2.391   5.193   5.193
   94   2HB   ASP  12          2HB       ASP  12   3.252   3.933   3.933
   95    H    ILE  13           H        ILE  13   3.354   4.175   4.175
   96    HA   ILE  13           HA       ILE  13   3.810   6.773   6.773
   97    HB   ILE  13           HB       ILE  13   4.353   3.916   3.916
   98   1HG1  ILE  13          1HG1      ILE  13   6.081   4.765   4.765
   99   2HG1  ILE  13          2HG1      ILE  13   6.763   4.825   4.825
  100   1HG2  ILE  13          1HG2      ILE  13   3.698   5.164   5.164
  101   2HG2  ILE  13          2HG2      ILE  13   5.019   6.273   6.273
  102   3HG2  ILE  13          3HG2      ILE  13   5.363   4.544   4.544
  103   1HD1  ILE  13          1HD1      ILE  13   6.293   7.289   7.289
  104   2HD1  ILE  13          2HD1      ILE  13   5.621   7.281   7.281
  105   3HD1  ILE  13          3HD1      ILE  13   7.345   6.918   6.918
  106    H    CYS  14           H        CYS  14   1.355   4.488   4.488
  107    HA   CYS  14           HA       CYS  14   0.678   5.894   5.894
  108   1HB   CYS  14          1HB       CYS  14  -0.454   3.475   3.475
  109   2HB   CYS  14          2HB       CYS  14  -1.470   4.259   4.259
  110    H    ARG  15           H        ARG  15  -0.563   5.751   5.751
  111    HA   ARG  15           HA       ARG  15  -2.724   7.571   7.571
  112   1HB   ARG  15          1HB       ARG  15  -0.535   7.546   7.546
  113   2HB   ARG  15          2HB       ARG  15  -2.089   8.340   8.340
  114   1HG   ARG  15          1HG       ARG  15  -3.291   6.147   6.147
  115   2HG   ARG  15          2HG       ARG  15  -1.845   5.304   5.304
  116   1HD   ARG  15          1HD       ARG  15  -2.415   5.033   5.033
  117   2HD   ARG  15          2HD       ARG  15  -0.749   5.579   5.579
  118    HE   ARG  15           HE       ARG  15  -1.354   7.851   7.851
  119   1HH1  ARG  15          1HH1      ARG  15  -3.988   5.631   5.631
  120   2HH1  ARG  15          2HH1      ARG  15  -4.887   6.790   6.790
  121   1HH2  ARG  15          1HH2      ARG  15  -2.383   9.050   9.050
  122   2HH2  ARG  15          2HH2      ARG  15  -4.019   8.650   8.650
  123    H    LEU  16           H        LEU  16   0.676   8.474   8.474
  124    HA   LEU  16           HA       LEU  16   0.026  11.354  11.354
  125   1HB   LEU  16          1HB       LEU  16   2.680   9.808   9.808
  126   2HB   LEU  16          2HB       LEU  16   2.623  11.558  11.558
  127    HG   LEU  16           HG       LEU  16   2.987  11.293  11.293
  128   1HD1  LEU  16          1HD1      LEU  16   0.495  11.952  11.952
  129   2HD1  LEU  16          2HD1      LEU  16   0.078  10.251  10.251
  130   3HD1  LEU  16          3HD1      LEU  16   1.003  11.119  11.119
  131   1HD2  LEU  16          1HD2      LEU  16   3.517   8.834   8.834
  132   2HD2  LEU  16          2HD2      LEU  16   2.789   9.122   9.122
  133   3HD2  LEU  16          3HD2      LEU  16   1.812   8.435   8.435
  134    H    LYS  17           H        LYS  17   1.504   9.223   9.223
  135    HA   LYS  17           HA       LYS  17   1.873  11.507  11.507
  136   1HB   LYS  17          1HB       LYS  17   2.110   8.483   8.483
  137   2HB   LYS  17          2HB       LYS  17   2.851   9.798   9.798
  138   1HG   LYS  17          1HG       LYS  17   4.330  10.350  10.350
  139   2HG   LYS  17          2HG       LYS  17   3.527   9.105   9.105
  140   1HD   LYS  17          1HD       LYS  17   5.079   7.615   7.615
  141   2HD   LYS  17          2HD       LYS  17   4.490   7.838   7.838
  142   1HE   LYS  17          1HE       LYS  17   6.845   8.504   8.504
  143   2HE   LYS  17          2HE       LYS  17   5.924  10.015  10.015
  144   1HZ   LYS  17          1HZ       LYS  17   6.110  10.066  10.066
  145   2HZ   LYS  17          2HZ       LYS  17   7.246   8.834   8.834
  146   3HZ   LYS  17          3HZ       LYS  17   7.534  10.321  10.321
  147    H    LYS  18           H        LYS  18  -0.591   9.328   9.328
  148    HA   LYS  18           HA       LYS  18  -2.567   8.650   8.650
  149   1HB   LYS  18          1HB       LYS  18  -2.151  11.472  11.472
  150   2HB   LYS  18          2HB       LYS  18  -3.310  10.411  10.411
  151   1HG   LYS  18          1HG       LYS  18  -4.864  11.046  11.046
  152   2HG   LYS  18          2HG       LYS  18  -3.970  10.047  10.047
  153   1HD   LYS  18          1HD       LYS  18  -4.576  12.491  12.491
  154   2HD   LYS  18          2HD       LYS  18  -2.909  11.974  11.974
  155   1HE   LYS  18          1HE       LYS  18  -3.056  14.278  14.278
  156   2HE   LYS  18          2HE       LYS  18  -2.032  13.124  13.124
  157   1HZ   LYS  18          1HZ       LYS  18  -4.916  13.327  13.327
  158   2HZ   LYS  18          2HZ       LYS  18  -3.800  14.393  14.393
  159   3HZ   LYS  18          3HZ       LYS  18  -3.660  12.742  12.742
  160    H    LEU  19           H        LEU  19  -1.310   6.995   6.995
  161    HA   LEU  19           HA       LEU  19  -0.569   6.987   6.987
  162   1HB   LEU  19          1HB       LEU  19   1.012   6.150   6.150
  163   2HB   LEU  19          2HB       LEU  19   1.097   5.043   5.043
  164    HG   LEU  19           HG       LEU  19   2.499   6.383   6.383
  165   1HD1  LEU  19          1HD1      LEU  19   1.036   8.855   8.855
  166   2HD1  LEU  19          2HD1      LEU  19   2.392   8.950   8.950
  167   3HD1  LEU  19          3HD1      LEU  19   0.863   8.171   8.171
  168   1HD2  LEU  19          1HD2      LEU  19   2.919   7.005   7.005
  169   2HD2  LEU  19          2HD2      LEU  19   4.113   6.532   6.532
  170   3HD2  LEU  19          3HD2      LEU  19   3.593   8.227   8.227
  171    H    LYS  20           H        LYS  20  -0.040   4.612   4.612
  172    HA   LYS  20           HA       LYS  20  -2.570   3.066   3.066
  173   1HB   LYS  20          1HB       LYS  20  -0.254   2.709   2.709
  174   2HB   LYS  20          2HB       LYS  20  -1.374   1.386   1.386
  175   1HG   LYS  20          1HG       LYS  20  -2.972   3.814   3.814
  176   2HG   LYS  20          2HG       LYS  20  -1.726   3.759   3.759
  177   1HD   LYS  20          1HD       LYS  20  -2.822   1.094   1.094
  178   2HD   LYS  20          2HD       LYS  20  -4.206   2.192   2.192
  179   1HE   LYS  20          1HE       LYS  20  -4.122   2.703   2.703
  180   2HE   LYS  20          2HE       LYS  20  -2.471   3.321   3.321
  181   1HZ   LYS  20          1HZ       LYS  20  -1.781   0.878   0.878
  182   2HZ   LYS  20          2HZ       LYS  20  -3.320   0.552   0.552
  183   3HZ   LYS  20          3HZ       LYS  20  -2.281   1.555   1.555
  184    H    CYS  21           H        CYS  21  -2.729   1.155   1.155
  185    HA   CYS  21           HA       CYS  21  -0.163   0.072   0.072
  186   1HB   CYS  21          1HB       CYS  21  -1.584   1.669   1.669
  187   2HB   CYS  21          2HB       CYS  21  -2.811   0.394   0.394
  188    H    SER  22           H        SER  22  -0.468  -1.362  -1.362
  189    HA   SER  22           HA       SER  22  -2.319  -3.456  -3.456
  190   1HB   SER  22          1HB       SER  22  -0.228  -5.047  -5.047
  191   2HB   SER  22          2HB       SER  22  -0.407  -3.714  -3.714
  192    HG   SER  22           HG       SER  22   1.309  -2.765  -2.765
  193    H    LYS  23           H        LYS  23  -0.224  -3.035  -3.035
  194    HA   LYS  23           HA       LYS  23  -0.974  -3.593  -3.593
  195   1HB   LYS  23          1HB       LYS  23  -3.036  -5.223  -5.223
  196   2HB   LYS  23          2HB       LYS  23  -2.786  -5.571  -5.571
  197   1HG   LYS  23          1HG       LYS  23  -3.461  -3.328  -3.328
  198   2HG   LYS  23          2HG       LYS  23  -3.175  -2.657  -2.657
  199   1HD   LYS  23          1HD       LYS  23  -5.208  -4.437  -4.437
  200   2HD   LYS  23          2HD       LYS  23  -5.553  -4.165  -4.165
  201   1HE   LYS  23          1HE       LYS  23  -5.351  -1.601  -1.601
  202   2HE   LYS  23          2HE       LYS  23  -5.290  -1.961  -1.961
  203   1HZ   LYS  23          1HZ       LYS  23  -7.456  -3.082  -3.082
  204   2HZ   LYS  23          2HZ       LYS  23  -7.549  -1.524  -1.524
  205   3HZ   LYS  23          3HZ       LYS  23  -7.419  -2.841  -2.841
  206    H    GLU  24           H        GLU  24   1.346  -4.610  -4.610
  207    HA   GLU  24           HA       GLU  24   1.259  -7.602  -7.602
  208   1HB   GLU  24          1HB       GLU  24   3.452  -7.635  -7.635
  209   2HB   GLU  24          2HB       GLU  24   1.938  -7.395  -7.395
  210   1HG   GLU  24          1HG       GLU  24   2.580  -5.330  -5.330
  211   2HG   GLU  24          2HG       GLU  24   3.366  -4.813  -4.813
  212    H    LYS  25           H        LYS  25   3.482  -8.418  -8.418
  213    HA   LYS  25           HA       LYS  25   4.283  -6.662  -6.662
  214   1HB   LYS  25          1HB       LYS  25   3.646  -9.687  -9.687
  215   2HB   LYS  25          2HB       LYS  25   4.100  -8.667  -8.667
  216   1HG   LYS  25          1HG       LYS  25   1.955  -7.284  -7.284
  217   2HG   LYS  25          2HG       LYS  25   1.520  -8.364  -8.364
  218   1HD   LYS  25          1HD       LYS  25   1.031 -10.153 -10.153
  219   2HD   LYS  25          2HD       LYS  25   2.081  -9.502  -9.502
  220   1HE   LYS  25          1HE       LYS  25  -0.628  -8.322  -8.322
  221   2HE   LYS  25          2HE       LYS  25  -0.270  -9.006  -9.006
  222   1HZ   LYS  25          1HZ       LYS  25   1.665  -7.057  -7.057
  223   2HZ   LYS  25          2HZ       LYS  25   0.184  -6.385  -6.385
  224   3HZ   LYS  25          3HZ       LYS  25   0.408  -7.019  -7.019
  225    HA   PRO  26           HA       PRO  26   5.640  -6.547  -6.547
  226   1HB   PRO  26          1HB       PRO  26   7.849  -4.915  -4.915
  227   2HB   PRO  26          2HB       PRO  26   7.864  -6.682  -6.682
  228   1HG   PRO  26          1HG       PRO  26   8.607  -5.806  -5.806
  229   2HG   PRO  26          2HG       PRO  26   9.680  -6.534  -6.534
  230   1HD   PRO  26          1HD       PRO  26   8.410  -7.931  -7.931
  231   2HD   PRO  26          2HD       PRO  26   8.302  -8.550  -8.550
  232    H    LYS  27           H        LYS  27   7.284  -5.185  -5.185
  233    HA   LYS  27           HA       LYS  27   5.640  -2.630  -2.630
  234   1HB   LYS  27          1HB       LYS  27   8.016  -2.888  -2.888
  235   2HB   LYS  27          2HB       LYS  27   7.395  -1.446  -1.446
  236   1HG   LYS  27          1HG       LYS  27   8.752  -1.761  -1.761
  237   2HG   LYS  27          2HG       LYS  27   8.273  -3.449  -3.449
  238   1HD   LYS  27          1HD       LYS  27  10.332  -4.067  -4.067
  239   2HD   LYS  27          2HD       LYS  27  10.054  -3.212  -3.212
  240   1HE   LYS  27          1HE       LYS  27  11.950  -2.030  -2.030
  241   2HE   LYS  27          2HE       LYS  27  10.606  -0.977  -0.977
  242   1HZ   LYS  27          1HZ       LYS  27  11.421  -3.150  -3.150
  243   2HZ   LYS  27          2HZ       LYS  27  12.310  -1.724  -1.724
  244   3HZ   LYS  27          3HZ       LYS  27  10.679  -1.682  -1.682
  245    H    CYS  28           H        CYS  28   4.302  -1.911  -1.911
  246    HA   CYS  28           HA       CYS  28   3.306  -3.633  -3.633
  247   1HB   CYS  28          1HB       CYS  28   2.890  -1.319  -1.319
  248   2HB   CYS  28          2HB       CYS  28   1.999  -1.680  -1.680
  249    H    ALA  29           H        ALA  29   3.492  -2.991  -2.991
  250    HA   ALA  29           HA       ALA  29   6.158  -3.581  -3.581
  251   1HB   ALA  29          1HB       ALA  29   3.979  -3.697  -3.697
  252   2HB   ALA  29          2HB       ALA  29   3.835  -1.925  -1.925
  253   3HB   ALA  29          3HB       ALA  29   5.169  -2.680  -2.680
  254    H    LYS  30           H        LYS  30   4.469  -0.603  -0.603
  255    HA   LYS  30           HA       LYS  30   6.445   1.117   1.117
  256   1HB   LYS  30          1HB       LYS  30   4.728   2.594   2.594
  257   2HB   LYS  30          2HB       LYS  30   3.853   1.375   1.375
  258   1HG   LYS  30          1HG       LYS  30   4.525   2.344   2.344
  259   2HG   LYS  30          2HG       LYS  30   5.863   3.242   3.242
  260   1HD   LYS  30          1HD       LYS  30   2.949   3.891   3.891
  261   2HD   LYS  30          2HD       LYS  30   4.347   4.982   4.982
  262   1HE   LYS  30          1HE       LYS  30   3.359   5.447   5.447
  263   2HE   LYS  30          2HE       LYS  30   4.554   4.219   4.219
  264   1HZ   LYS  30          1HZ       LYS  30   2.519   2.646   2.646
  265   2HZ   LYS  30          2HZ       LYS  30   1.658   3.993   3.993
  266   3HZ   LYS  30          3HZ       LYS  30   2.755   3.244   3.244
  267    H    CYS  31           H        CYS  31   6.143   0.358   0.358
  268    HA   CYS  31           HA       CYS  31   8.289   2.303   2.303
  269   1HB   CYS  31          1HB       CYS  31   7.229  -0.098  -0.098
  270   2HB   CYS  31          2HB       CYS  31   8.339   1.120   1.120
  271    H    LEU  32           H        LEU  32   8.070  -1.069  -1.069
  272    HA   LEU  32           HA       LEU  32  10.932  -1.663  -1.663
  273   1HB   LEU  32          1HB       LEU  32   8.872  -3.286  -3.286
  274   2HB   LEU  32          2HB       LEU  32   9.137  -2.813  -2.813
  275    HG   LEU  32           HG       LEU  32  10.703  -4.681  -4.681
  276   1HD1  LEU  32          1HD1      LEU  32   9.211  -5.474  -5.474
  277   2HD1  LEU  32          2HD1      LEU  32  10.179  -4.567  -4.567
  278   3HD1  LEU  32          3HD1      LEU  32  10.898  -5.932  -5.932
  279   1HD2  LEU  32          1HD2      LEU  32  12.148  -2.973  -2.973
  280   2HD2  LEU  32          2HD2      LEU  32  12.512  -3.033  -3.033
  281   3HD2  LEU  32          3HD2      LEU  32  12.809  -4.458  -4.458
  282    H    LYS  33           H        LYS  33   9.130  -0.041  -0.041
  283    HA   LYS  33           HA       LYS  33  11.340  -0.225  -0.225
  284   1HB   LYS  33          1HB       LYS  33   8.736   1.463   1.463
  285   2HB   LYS  33          2HB       LYS  33   9.891   1.646   1.646
  286   1HG   LYS  33          1HG       LYS  33   8.855  -1.185  -1.185
  287   2HG   LYS  33          2HG       LYS  33   7.769  -0.070  -0.070
  288   1HD   LYS  33          1HD       LYS  33  10.308  -1.455  -1.455
  289   2HD   LYS  33          2HD       LYS  33   8.744  -1.276  -1.276
  290   1HE   LYS  33          1HE       LYS  33  10.872   0.947   0.947
  291   2HE   LYS  33          2HE       LYS  33  10.403   0.198   0.198
  292   1HZ   LYS  33          1HZ       LYS  33   8.091   1.154   1.154
  293   2HZ   LYS  33          2HZ       LYS  33   9.231   2.384   2.384
  294   3HZ   LYS  33          3HZ       LYS  33   8.705   1.574   1.574
  295    H    ASN  34           H        ASN  34  10.421   1.885   1.885
  296    HA   ASN  34           HA       ASN  34  12.648   3.802   3.802
  297   1HB   ASN  34          1HB       ASN  34   9.851   4.246   4.246
  298   2HB   ASN  34          2HB       ASN  34  11.089   5.371   5.371
  299   1HD2  ASN  34          1HD2      ASN  34   9.371   5.828   5.828
  300   2HD2  ASN  34          2HD2      ASN  34   9.087   4.268   4.268
  301    H    ASN  35           H        ASN  35  12.443   1.352   1.352
  302    HA   ASN  35           HA       ASN  35  12.987   0.855   0.855
  303   1HB   ASN  35          1HB       ASN  35  15.242   1.284   1.284
  304   2HB   ASN  35          2HB       ASN  35  15.036   3.018   3.018
  305   1HD2  ASN  35          1HD2      ASN  35  15.409   1.921   1.921
  306   2HD2  ASN  35          2HD2      ASN  35  13.941   1.349   1.349
  307    H    TRP  36           H        TRP  36  11.088   1.465   1.465
  308    HA   TRP  36           HA       TRP  36  11.202   4.146   4.146
  309   1HB   TRP  36          1HB       TRP  36   8.920   2.841   2.841
  310   2HB   TRP  36          2HB       TRP  36   8.525   3.994   3.994
  311    HD1  TRP  36           HD1      TRP  36  11.480   5.668   5.668
  312    HE1  TRP  36           HE1      TRP  36  11.192   7.493   7.493
  313    HE3  TRP  36           HE3      TRP  36   7.092   3.860   3.860
  314    HZ2  TRP  36           HZ2      TRP  36   9.150   7.956   7.956
  315    HZ3  TRP  36           HZ3      TRP  36   6.110   4.915   4.915
  316    HH2  TRP  36           HH2      TRP  36   7.071   6.982   6.982
  317    H    GLU  37           H        GLU  37   9.326   4.153   4.153
  318    HA   GLU  37           HA       GLU  37  10.007   1.675   1.675
  319   1HB   GLU  37          1HB       GLU  37  10.873   3.808   3.808
  320   2HB   GLU  37          2HB       GLU  37   9.318   4.593   4.593
  321   1HG   GLU  37          1HG       GLU  37   8.364   3.226   3.226
  322   2HG   GLU  37          2HG       GLU  37   9.803   2.243   2.243
  323    H    CYS  38           H        CYS  38   8.208   0.980   0.980
  324    HA   CYS  38           HA       CYS  38   5.507   1.676   1.676
  325   1HB   CYS  38          1HB       CYS  38   6.497  -0.088  -0.088
  326   2HB   CYS  38          2HB       CYS  38   6.510  -1.255  -1.255
  327    H    ARG  39           H        ARG  39   4.550   2.146   2.146
  328    HA   ARG  39           HA       ARG  39   4.436   0.127   0.127
  329   1HB   ARG  39          1HB       ARG  39   4.730   2.430   2.430
  330   2HB   ARG  39          2HB       ARG  39   3.585   3.066   3.066
  331   1HG   ARG  39          1HG       ARG  39   1.831   2.913   2.913
  332   2HG   ARG  39          2HG       ARG  39   2.198   1.240   1.240
  333   1HD   ARG  39          1HD       ARG  39   3.988   3.522   3.522
  334   2HD   ARG  39          2HD       ARG  39   2.453   3.138   3.138
  335    HE   ARG  39           HE       ARG  39   4.843   1.293   1.293
  336   1HH1  ARG  39          1HH1      ARG  39   1.728   1.835   1.835
  337   2HH1  ARG  39          2HH1      ARG  39   1.953   0.447   0.447
  338   1HH2  ARG  39          1HH2      ARG  39   5.012  -0.189  -0.189
  339   2HH2  ARG  39          2HH2      ARG  39   3.735  -0.657  -0.657
  340    H    TYR  40           H        TYR  40   2.304  -0.474  -0.474
  341    HA   TYR  40           HA       TYR  40   0.243  -0.602  -0.602
  342   1HB   TYR  40          1HB       TYR  40   1.641  -2.889  -2.889
  343   2HB   TYR  40          2HB       TYR  40  -0.082  -3.087  -3.087
  344    HD1  TYR  40           HD1      TYR  40   3.046  -2.724  -2.724
  345    HD2  TYR  40           HD2      TYR  40  -1.156  -3.634  -3.634
  346    HE1  TYR  40           HE1      TYR  40   3.137  -3.076  -3.076
  347    HE2  TYR  40           HE2      TYR  40  -1.010  -4.144  -4.144
  348    HH   TYR  40           HH       TYR  40   1.336  -2.687  -2.687
  349    H    SER  41           H        SER  41  -1.691  -0.199  -0.199
  350    HA   SER  41           HA       SER  41  -2.343   1.079   1.079
  351   1HB   SER  41          1HB       SER  41  -3.934   0.095   0.095
  352   2HB   SER  41          2HB       SER  41  -4.879   0.332   0.332
  353    HG   SER  41           HG       SER  41  -3.312   2.450   2.450
  354    HA   PRO  42           HA       PRO  42  -4.529  -3.102  -3.102
  355   1HB   PRO  42          1HB       PRO  42  -2.635  -5.082  -5.082
  356   2HB   PRO  42          2HB       PRO  42  -4.523  -5.069  -5.069
  357   1HG   PRO  42          1HG       PRO  42  -3.036  -4.439  -4.439
  358   2HG   PRO  42          2HG       PRO  42  -4.681  -3.680  -3.680
  359   1HD   PRO  42          1HD       PRO  42  -1.698  -2.910  -2.910
  360   2HD   PRO  42          2HD       PRO  42  -3.052  -1.901  -1.901
  361    H    LYS  43           H        LYS  43  -2.525  -5.522  -5.522
  362    HA   LYS  43           HA       LYS  43  -0.562  -4.589  -4.589
  363   1HB   LYS  43          1HB       LYS  43  -1.991  -3.155  -3.155
  364   2HB   LYS  43          2HB       LYS  43  -3.414  -4.158  -4.158
  365   1HG   LYS  43          1HG       LYS  43  -2.631  -5.811  -5.811
  366   2HG   LYS  43          2HG       LYS  43  -1.049  -5.042  -5.042
  367   1HD   LYS  43          1HD       LYS  43  -3.275  -3.149  -3.149
  368   2HD   LYS  43          2HD       LYS  43  -3.354  -4.598  -4.598
  369   1HE   LYS  43          1HE       LYS  43  -0.582  -3.376  -3.376
  370   2HE   LYS  43          2HE       LYS  43  -1.702  -2.459  -2.459
  371   1HZ   LYS  43          1HZ       LYS  43  -2.136  -4.537  -4.537
  372   2HZ   LYS  43          2HZ       LYS  43  -0.942  -5.312  -5.312
  373   3HZ   LYS  43          3HZ       LYS  43  -0.539  -4.016  -4.016

  Start of MODEL   21
    1   1H    MET   1          1H        MET   1 -22.504  -2.874  -2.874
    2   2H    MET   1          2H        MET   1 -21.972  -1.409  -1.409
    3   3H    MET   1          3H        MET   1 -21.053  -2.206  -2.206
    4    HA   MET   1           HA       MET   1 -20.020  -2.508  -2.508
    5   1HB   MET   1          1HB       MET   1 -21.345  -3.742  -3.742
    6   2HB   MET   1          2HB       MET   1 -21.866  -2.092  -2.092
    7   1HG   MET   1          1HG       MET   1 -23.886  -2.839  -2.839
    8   2HG   MET   1          2HG       MET   1 -23.308  -4.517  -4.517
    9   1HE   MET   1          1HE       MET   1 -23.739  -1.455  -1.455
   10   2HE   MET   1          2HE       MET   1 -24.000  -2.239  -2.239
   11   3HE   MET   1          3HE       MET   1 -22.414  -2.381  -2.381
   12    H    LYS   2           H        LYS   2 -19.031  -3.624  -3.624
   13    HA   LYS   2           HA       LYS   2 -19.206  -6.577  -6.577
   14   1HB   LYS   2          1HB       LYS   2 -18.894  -7.083  -7.083
   15   2HB   LYS   2          2HB       LYS   2 -20.513  -6.690  -6.690
   16   1HG   LYS   2          1HG       LYS   2 -20.198  -4.279  -4.279
   17   2HG   LYS   2          2HG       LYS   2 -18.552  -4.654  -4.654
   18   1HD   LYS   2          1HD       LYS   2 -21.178  -5.815  -5.815
   19   2HD   LYS   2          2HD       LYS   2 -20.157  -4.584  -4.584
   20   1HE   LYS   2          1HE       LYS   2 -18.243  -6.167  -6.167
   21   2HE   LYS   2          2HE       LYS   2 -19.082  -7.404  -7.404
   22   1HZ   LYS   2          1HZ       LYS   2 -20.878  -6.755  -6.755
   23   2HZ   LYS   2          2HZ       LYS   2 -19.397  -6.739  -6.739
   24   3HZ   LYS   2          3HZ       LYS   2 -19.885  -8.112  -8.112
   25    H    LEU   3           H        LEU   3 -17.405  -6.113  -6.113
   26    HA   LEU   3           HA       LEU   3 -15.071  -6.509  -6.509
   27   1HB   LEU   3          1HB       LEU   3 -15.698  -7.760  -7.760
   28   2HB   LEU   3          2HB       LEU   3 -14.499  -6.599  -6.599
   29    HG   LEU   3           HG       LEU   3 -13.874  -9.107  -9.107
   30   1HD1  LEU   3          1HD1      LEU   3 -12.417  -6.975  -6.975
   31   2HD1  LEU   3          2HD1      LEU   3 -11.879  -6.973  -6.973
   32   3HD1  LEU   3          3HD1      LEU   3 -11.619  -8.410  -8.410
   33   1HD2  LEU   3          1HD2      LEU   3 -14.683  -8.416  -8.416
   34   2HD2  LEU   3          2HD2      LEU   3 -13.251  -9.447  -9.447
   35   3HD2  LEU   3          3HD2      LEU   3 -13.038  -7.727  -7.727
   36    H    LEU   4           H        LEU   4 -15.056  -4.444  -4.444
   37    HA   LEU   4           HA       LEU   4 -13.027  -2.769  -2.769
   38   1HB   LEU   4          1HB       LEU   4 -15.708  -2.317  -2.317
   39   2HB   LEU   4          2HB       LEU   4 -15.458  -1.061  -1.061
   40    HG   LEU   4           HG       LEU   4 -13.749  -1.532  -1.532
   41   1HD1  LEU   4          1HD1      LEU   4 -16.052   0.347   0.347
   42   2HD1  LEU   4          2HD1      LEU   4 -14.786   0.936   0.936
   43   3HD1  LEU   4          3HD1      LEU   4 -15.721  -0.524  -0.524
   44   1HD2  LEU   4          1HD2      LEU   4 -12.320  -0.560  -0.560
   45   2HD2  LEU   4          2HD2      LEU   4 -12.599   0.625   0.625
   46   3HD2  LEU   4          3HD2      LEU   4 -13.499   0.764   0.764
   47    H    SER   5           H        SER   5 -15.751  -2.693  -2.693
   48    HA   SER   5           HA       SER   5 -15.633  -2.372  -2.372
   49   1HB   SER   5          1HB       SER   5 -13.729  -3.038  -3.038
   50   2HB   SER   5          2HB       SER   5 -13.153  -3.513  -3.513
   51    HG   SER   5           HG       SER   5 -11.580  -2.205  -2.205
   52    H    SER   6           H        SER   6 -15.449  -0.781  -0.781
   53    HA   SER   6           HA       SER   6 -14.564   1.911   1.911
   54   1HB   SER   6          1HB       SER   6 -17.148   1.506   1.506
   55   2HB   SER   6          2HB       SER   6 -17.063   1.577   1.577
   56    HG   SER   6           HG       SER   6 -16.650   3.591   3.591
   57    H    ILE   7           H        ILE   7 -13.149   0.077   0.077
   58    HA   ILE   7           HA       ILE   7 -11.983   1.750   1.750
   59    HB   ILE   7           HB       ILE   7 -14.654   0.998   0.998
   60   1HG1  ILE   7          1HG1      ILE   7 -14.199   3.272   3.272
   61   2HG1  ILE   7          2HG1      ILE   7 -13.981   2.571   2.571
   62   1HG2  ILE   7          1HG2      ILE   7 -12.352  -0.104  -0.104
   63   2HG2  ILE   7          2HG2      ILE   7 -13.843   0.504   0.504
   64   3HG2  ILE   7          3HG2      ILE   7 -13.880  -0.852  -0.852
   65   1HD1  ILE   7          1HD1      ILE   7 -11.375   2.410   2.410
   66   2HD1  ILE   7          2HD1      ILE   7 -11.808   3.666   3.666
   67   3HD1  ILE   7          3HD1      ILE   7 -12.094   3.941   3.941
   68    H    GLU   8           H        GLU   8 -10.115   0.504   0.504
   69    HA   GLU   8           HA       GLU   8 -10.163  -2.102  -2.102
   70   1HB   GLU   8          1HB       GLU   8  -9.253  -1.601  -1.601
   71   2HB   GLU   8          2HB       GLU   8  -8.394  -2.785  -2.785
   72   1HG   GLU   8          1HG       GLU   8 -11.461  -2.958  -2.958
   73   2HG   GLU   8          2HG       GLU   8 -10.339  -3.623  -3.623
   74    H    GLN   9           H        GLN   9  -7.414  -2.515  -2.515
   75    HA   GLN   9           HA       GLN   9  -6.333  -0.939  -0.939
   76   1HB   GLN   9          1HB       GLN   9  -6.011  -3.555  -3.555
   77   2HB   GLN   9          2HB       GLN   9  -4.531  -2.799  -2.799
   78   1HG   GLN   9          1HG       GLN   9  -3.772  -2.269  -2.269
   79   2HG   GLN   9          2HG       GLN   9  -5.353  -2.551  -2.551
   80   1HE2  GLN   9          1HE2      GLN   9  -4.609  -6.213  -6.213
   81   2HE2  GLN   9          2HE2      GLN   9  -5.967  -5.092  -5.092
   82    H    ALA  10           H        ALA  10  -3.971  -0.347  -0.347
   83    HA   ALA  10           HA       ALA  10  -2.641   0.082   0.082
   84   1HB   ALA  10          1HB       ALA  10  -4.508   1.610   1.610
   85   2HB   ALA  10          2HB       ALA  10  -4.255   2.617   2.617
   86   3HB   ALA  10          3HB       ALA  10  -3.018   2.560   2.560
   87    H    CYS  11           H        CYS  11  -0.575   1.021   1.021
   88    HA   CYS  11           HA       CYS  11   0.162   1.060   1.060
   89   1HB   CYS  11          1HB       CYS  11   2.511   1.074   1.074
   90   2HB   CYS  11          2HB       CYS  11   1.529  -0.139  -0.139
   91    H    ASP  12           H        ASP  12   1.921   2.636   2.636
   92    HA   ASP  12           HA       ASP  12   0.649   5.229   5.229
   93   1HB   ASP  12          1HB       ASP  12   2.532   4.236   4.236
   94   2HB   ASP  12          2HB       ASP  12   3.683   4.686   4.686
   95    H    ILE  13           H        ILE  13   3.043   4.005   4.005
   96    HA   ILE  13           HA       ILE  13   3.737   6.630   6.630
   97    HB   ILE  13           HB       ILE  13   4.166   3.737   3.737
   98   1HG1  ILE  13          1HG1      ILE  13   5.995   4.528   4.528
   99   2HG1  ILE  13          2HG1      ILE  13   6.596   4.670   4.670
  100   1HG2  ILE  13          1HG2      ILE  13   3.473   4.942   4.942
  101   2HG2  ILE  13          2HG2      ILE  13   4.901   5.985   5.985
  102   3HG2  ILE  13          3HG2      ILE  13   5.066   4.231   4.231
  103   1HD1  ILE  13          1HD1      ILE  13   5.984   7.143   7.143
  104   2HD1  ILE  13          2HD1      ILE  13   5.537   7.015   7.015
  105   3HD1  ILE  13          3HD1      ILE  13   7.221   6.731   6.731
  106    H    CYS  14           H        CYS  14   1.235   4.380   4.380
  107    HA   CYS  14           HA       CYS  14   0.696   5.832   5.832
  108   1HB   CYS  14          1HB       CYS  14  -0.498   3.359   3.359
  109   2HB   CYS  14          2HB       CYS  14  -1.441   4.162   4.162
  110    H    ARG  15           H        ARG  15  -0.796   5.574   5.574
  111    HA   ARG  15           HA       ARG  15  -2.919   7.423   7.423
  112   1HB   ARG  15          1HB       ARG  15  -2.983   6.855   6.855
  113   2HB   ARG  15          2HB       ARG  15  -1.288   6.406   6.406
  114   1HG   ARG  15          1HG       ARG  15  -0.837   9.067   9.067
  115   2HG   ARG  15          2HG       ARG  15  -2.544   9.156   9.156
  116   1HD   ARG  15          1HD       ARG  15  -1.248   6.963   6.963
  117   2HD   ARG  15          2HD       ARG  15  -0.329   8.478   8.478
  118    HE   ARG  15           HE       ARG  15  -2.105   9.343   9.343
  119   1HH1  ARG  15          1HH1      ARG  15  -3.429   6.841   6.841
  120   2HH1  ARG  15          2HH1      ARG  15  -5.103   7.002   7.002
  121   1HH2  ARG  15          1HH2      ARG  15  -3.938   9.463   9.463
  122   2HH2  ARG  15          2HH2      ARG  15  -5.386   8.429   8.429
  123    H    LEU  16           H        LEU  16   0.436   8.265   8.265
  124    HA   LEU  16           HA       LEU  16  -0.181  11.138  11.138
  125   1HB   LEU  16          1HB       LEU  16   2.499   9.639   9.639
  126   2HB   LEU  16          2HB       LEU  16   2.391  11.365  11.365
  127    HG   LEU  16           HG       LEU  16   2.260   9.113   9.113
  128   1HD1  LEU  16          1HD1      LEU  16   3.886  11.114  11.114
  129   2HD1  LEU  16          2HD1      LEU  16   2.538  12.145  12.145
  130   3HD1  LEU  16          3HD1      LEU  16   3.055  10.798  10.798
  131   1HD2  LEU  16          1HD2      LEU  16  -0.220   9.668   9.668
  132   2HD2  LEU  16          2HD2      LEU  16   0.485  10.010  10.010
  133   3HD2  LEU  16          3HD2      LEU  16   0.148  11.340  11.340
  134    H    LYS  17           H        LYS  17   1.451   9.146   9.146
  135    HA   LYS  17           HA       LYS  17   1.926  11.547  11.547
  136   1HB   LYS  17          1HB       LYS  17   2.526   8.533   8.533
  137   2HB   LYS  17          2HB       LYS  17   2.737   9.569   9.569
  138   1HG   LYS  17          1HG       LYS  17   4.020  10.704  10.704
  139   2HG   LYS  17          2HG       LYS  17   4.639   9.108   9.108
  140   1HD   LYS  17          1HD       LYS  17   4.428  11.358  11.358
  141   2HD   LYS  17          2HD       LYS  17   5.776  11.314  11.314
  142   1HE   LYS  17          1HE       LYS  17   6.519   9.094   9.094
  143   2HE   LYS  17          2HE       LYS  17   5.031   8.811   8.811
  144   1HZ   LYS  17          1HZ       LYS  17   5.835  11.098  11.098
  145   2HZ   LYS  17          2HZ       LYS  17   7.329  10.449  10.449
  146   3HZ   LYS  17          3HZ       LYS  17   6.277   9.578   9.578
  147    H    LYS  18           H        LYS  18  -0.547   9.286   9.286
  148    HA   LYS  18           HA       LYS  18  -2.439   8.715   8.715
  149   1HB   LYS  18          1HB       LYS  18  -1.839  11.506  11.506
  150   2HB   LYS  18          2HB       LYS  18  -2.999  10.466  10.466
  151   1HG   LYS  18          1HG       LYS  18  -4.426  10.325  10.325
  152   2HG   LYS  18          2HG       LYS  18  -3.183  11.094  11.094
  153   1HD   LYS  18          1HD       LYS  18  -4.537  12.496  12.496
  154   2HD   LYS  18          2HD       LYS  18  -5.267  12.477  12.477
  155   1HE   LYS  18          1HE       LYS  18  -3.182  13.500  13.500
  156   2HE   LYS  18          2HE       LYS  18  -2.386  13.501  13.501
  157   1HZ   LYS  18          1HZ       LYS  18  -4.189  14.897  14.897
  158   2HZ   LYS  18          2HZ       LYS  18  -4.902  14.942  14.942
  159   3HZ   LYS  18          3HZ       LYS  18  -3.385  15.628  15.628
  160    H    LEU  19           H        LEU  19  -1.133   7.022   7.022
  161    HA   LEU  19           HA       LEU  19  -0.652   6.929   6.929
  162   1HB   LEU  19          1HB       LEU  19   1.219   5.105   5.105
  163   2HB   LEU  19          2HB       LEU  19   1.550   6.341   6.341
  164    HG   LEU  19           HG       LEU  19   1.239   7.482   7.482
  165   1HD1  LEU  19          1HD1      LEU  19   3.341   5.298   5.298
  166   2HD1  LEU  19          2HD1      LEU  19   3.567   6.523   6.523
  167   3HD1  LEU  19          3HD1      LEU  19   2.207   5.379   5.379
  168   1HD2  LEU  19          1HD2      LEU  19   3.150   7.766   7.766
  169   2HD2  LEU  19          2HD2      LEU  19   2.318   9.019   9.019
  170   3HD2  LEU  19          3HD2      LEU  19   3.747   8.223   8.223
  171    H    LYS  20           H        LYS  20  -0.015   4.509   4.509
  172    HA   LYS  20           HA       LYS  20  -2.576   3.076   3.076
  173   1HB   LYS  20          1HB       LYS  20  -0.364   2.336   2.336
  174   2HB   LYS  20          2HB       LYS  20  -1.864   1.443   1.443
  175   1HG   LYS  20          1HG       LYS  20  -1.737   4.446   4.446
  176   2HG   LYS  20          2HG       LYS  20  -1.840   3.126   3.126
  177   1HD   LYS  20          1HD       LYS  20  -4.026   2.591   2.591
  178   2HD   LYS  20          2HD       LYS  20  -3.918   4.357   4.357
  179   1HE   LYS  20          1HE       LYS  20  -4.404   4.740   4.740
  180   2HE   LYS  20          2HE       LYS  20  -3.573   3.277   3.277
  181   1HZ   LYS  20          1HZ       LYS  20  -5.805   2.630   2.630
  182   2HZ   LYS  20          2HZ       LYS  20  -6.267   3.570   3.570
  183   3HZ   LYS  20          3HZ       LYS  20  -5.443   2.125   2.125
  184    H    CYS  21           H        CYS  21  -2.707   1.002   1.002
  185    HA   CYS  21           HA       CYS  21  -0.179  -0.040  -0.040
  186   1HB   CYS  21          1HB       CYS  21  -1.183   1.740   1.740
  187   2HB   CYS  21          2HB       CYS  21  -2.690   0.817   0.817
  188    H    SER  22           H        SER  22  -0.538  -1.735  -1.735
  189    HA   SER  22           HA       SER  22  -2.761  -3.599  -3.599
  190   1HB   SER  22          1HB       SER  22  -1.187  -5.347  -5.347
  191   2HB   SER  22          2HB       SER  22  -1.396  -3.891  -3.891
  192    HG   SER  22           HG       SER  22   0.849  -4.960  -4.960
  193    H    LYS  23           H        LYS  23  -0.741  -2.799  -2.799
  194    HA   LYS  23           HA       LYS  23  -0.700  -3.743  -3.743
  195   1HB   LYS  23          1HB       LYS  23  -2.712  -5.563  -5.563
  196   2HB   LYS  23          2HB       LYS  23  -2.170  -6.097  -6.097
  197   1HG   LYS  23          1HG       LYS  23  -4.371  -4.450  -4.450
  198   2HG   LYS  23          2HG       LYS  23  -3.487  -4.543  -4.543
  199   1HD   LYS  23          1HD       LYS  23  -2.707  -2.361  -2.361
  200   2HD   LYS  23          2HD       LYS  23  -2.377  -2.551  -2.551
  201   1HE   LYS  23          1HE       LYS  23  -4.606  -1.161  -1.161
  202   2HE   LYS  23          2HE       LYS  23  -4.478  -1.724  -1.724
  203   1HZ   LYS  23          1HZ       LYS  23  -5.491  -3.436  -3.436
  204   2HZ   LYS  23          2HZ       LYS  23  -6.470  -2.526  -2.526
  205   3HZ   LYS  23          3HZ       LYS  23  -5.530  -3.770  -3.770
  206    H    GLU  24           H        GLU  24   0.525  -5.663  -5.663
  207    HA   GLU  24           HA       GLU  24   1.632  -7.876  -7.876
  208   1HB   GLU  24          1HB       GLU  24   3.948  -7.196  -7.196
  209   2HB   GLU  24          2HB       GLU  24   2.575  -7.701  -7.701
  210   1HG   GLU  24          1HG       GLU  24   2.063  -5.131  -5.131
  211   2HG   GLU  24          2HG       GLU  24   3.634  -4.818  -4.818
  212    H    LYS  25           H        LYS  25   3.600  -8.347  -8.347
  213    HA   LYS  25           HA       LYS  25   4.173  -6.303  -6.303
  214   1HB   LYS  25          1HB       LYS  25   3.453  -9.261  -9.261
  215   2HB   LYS  25          2HB       LYS  25   3.686  -8.009  -8.009
  216   1HG   LYS  25          1HG       LYS  25   1.540  -7.010  -7.010
  217   2HG   LYS  25          2HG       LYS  25   1.482  -7.609  -7.609
  218   1HD   LYS  25          1HD       LYS  25   0.260  -9.411  -9.411
  219   2HD   LYS  25          2HD       LYS  25   1.523  -9.885  -9.885
  220   1HE   LYS  25          1HE       LYS  25   0.554  -7.730  -7.730
  221   2HE   LYS  25          2HE       LYS  25  -0.920  -8.091  -8.091
  222   1HZ   LYS  25          1HZ       LYS  25  -0.751 -10.409 -10.409
  223   2HZ   LYS  25          2HZ       LYS  25   0.614 -10.041 -10.041
  224   3HZ   LYS  25          3HZ       LYS  25  -0.867  -9.345  -9.345
  225    HA   PRO  26           HA       PRO  26   5.249  -6.481  -6.481
  226   1HB   PRO  26          1HB       PRO  26   7.508  -4.985  -4.985
  227   2HB   PRO  26          2HB       PRO  26   7.328  -6.766  -6.766
  228   1HG   PRO  26          1HG       PRO  26   8.523  -5.882  -5.882
  229   2HG   PRO  26          2HG       PRO  26   9.342  -6.706  -6.706
  230   1HD   PRO  26          1HD       PRO  26   8.292  -7.990  -7.990
  231   2HD   PRO  26          2HD       PRO  26   7.868  -8.620  -8.620
  232    H    LYS  27           H        LYS  27   7.319  -5.187  -5.187
  233    HA   LYS  27           HA       LYS  27   5.571  -2.686  -2.686
  234   1HB   LYS  27          1HB       LYS  27   7.789  -2.455  -2.455
  235   2HB   LYS  27          2HB       LYS  27   7.492  -1.500  -1.500
  236   1HG   LYS  27          1HG       LYS  27   9.267  -2.525  -2.525
  237   2HG   LYS  27          2HG       LYS  27   8.483  -4.095  -4.095
  238   1HD   LYS  27          1HD       LYS  27   9.545  -3.742  -3.742
  239   2HD   LYS  27          2HD       LYS  27  10.696  -2.796  -2.796
  240   1HE   LYS  27          1HE       LYS  27   9.959  -5.413  -5.413
  241   2HE   LYS  27          2HE       LYS  27  10.761  -5.627  -5.627
  242   1HZ   LYS  27          1HZ       LYS  27  11.797  -3.799  -3.799
  243   2HZ   LYS  27          2HZ       LYS  27  12.283  -5.399  -5.399
  244   3HZ   LYS  27          3HZ       LYS  27  12.576  -4.290  -4.290
  245    H    CYS  28           H        CYS  28   4.304  -2.107  -2.107
  246    HA   CYS  28           HA       CYS  28   3.524  -3.942  -3.942
  247   1HB   CYS  28          1HB       CYS  28   2.745  -1.731  -1.731
  248   2HB   CYS  28          2HB       CYS  28   1.992  -2.178  -2.178
  249    H    ALA  29           H        ALA  29   3.585  -3.051  -3.051
  250    HA   ALA  29           HA       ALA  29   6.333  -3.393  -3.393
  251   1HB   ALA  29          1HB       ALA  29   4.208  -3.823  -3.823
  252   2HB   ALA  29          2HB       ALA  29   3.816  -2.087  -2.087
  253   3HB   ALA  29          3HB       ALA  29   5.249  -2.659  -2.659
  254    H    LYS  30           H        LYS  30   4.263  -0.632  -0.632
  255    HA   LYS  30           HA       LYS  30   5.854   1.552   1.552
  256   1HB   LYS  30          1HB       LYS  30   3.601   1.141   1.141
  257   2HB   LYS  30          2HB       LYS  30   4.766   1.714   1.714
  258   1HG   LYS  30          1HG       LYS  30   3.135   3.324   3.324
  259   2HG   LYS  30          2HG       LYS  30   4.416   3.890   3.890
  260   1HD   LYS  30          1HD       LYS  30   5.757   4.424   4.424
  261   2HD   LYS  30          2HD       LYS  30   5.449   2.884   2.884
  262   1HE   LYS  30          1HE       LYS  30   3.116   3.711   3.711
  263   2HE   LYS  30          2HE       LYS  30   3.460   5.277   5.277
  264   1HZ   LYS  30          1HZ       LYS  30   5.628   4.609   4.609
  265   2HZ   LYS  30          2HZ       LYS  30   4.205   4.404   4.404
  266   3HZ   LYS  30          3HZ       LYS  30   4.538   5.882   5.882
  267    H    CYS  31           H        CYS  31   5.927   0.510   0.510
  268    HA   CYS  31           HA       CYS  31   8.201   2.236   2.236
  269   1HB   CYS  31          1HB       CYS  31   7.214  -0.218  -0.218
  270   2HB   CYS  31          2HB       CYS  31   8.238   1.070   1.070
  271    H    LEU  32           H        LEU  32   8.022  -1.139  -1.139
  272    HA   LEU  32           HA       LEU  32  10.885  -1.678  -1.678
  273   1HB   LEU  32          1HB       LEU  32   8.918  -3.384  -3.384
  274   2HB   LEU  32          2HB       LEU  32   9.177  -2.934  -2.934
  275    HG   LEU  32           HG       LEU  32  11.525  -4.017  -4.017
  276   1HD1  LEU  32          1HD1      LEU  32   9.615  -5.589  -5.589
  277   2HD1  LEU  32          2HD1      LEU  32   9.323  -5.763  -5.763
  278   3HD1  LEU  32          3HD1      LEU  32  10.840  -6.353  -6.353
  279   1HD2  LEU  32          1HD2      LEU  32  10.749  -4.232  -4.232
  280   2HD2  LEU  32          2HD2      LEU  32  12.052  -3.238  -3.238
  281   3HD2  LEU  32          3HD2      LEU  32  12.179  -4.999  -4.999
  282    H    LYS  33           H        LYS  33   9.145  -0.210  -0.210
  283    HA   LYS  33           HA       LYS  33  11.503  -0.312  -0.312
  284   1HB   LYS  33          1HB       LYS  33   8.811   1.230   1.230
  285   2HB   LYS  33          2HB       LYS  33  10.039   1.440   1.440
  286   1HG   LYS  33          1HG       LYS  33   9.916  -1.294  -1.294
  287   2HG   LYS  33          2HG       LYS  33   8.347  -1.043  -1.043
  288   1HD   LYS  33          1HD       LYS  33   7.464  -0.023  -0.023
  289   2HD   LYS  33          2HD       LYS  33   9.042   0.592   0.592
  290   1HE   LYS  33          1HE       LYS  33   8.281  -1.389  -1.389
  291   2HE   LYS  33          2HE       LYS  33   9.826  -1.708  -1.708
  292   1HZ   LYS  33          1HZ       LYS  33   7.455  -2.394  -2.394
  293   2HZ   LYS  33          2HZ       LYS  33   7.735  -3.325  -3.325
  294   3HZ   LYS  33          3HZ       LYS  33   8.911  -3.215  -3.215
  295    H    ASN  34           H        ASN  34  10.274   1.798   1.798
  296    HA   ASN  34           HA       ASN  34  12.557   3.735   3.735
  297   1HB   ASN  34          1HB       ASN  34   9.630   4.193   4.193
  298   2HB   ASN  34          2HB       ASN  34  10.820   5.408   5.408
  299   1HD2  ASN  34          1HD2      ASN  34   9.246   5.328   5.328
  300   2HD2  ASN  34          2HD2      ASN  34   8.918   3.941   3.941
  301    H    ASN  35           H        ASN  35  12.473   1.398   1.398
  302    HA   ASN  35           HA       ASN  35  13.214   0.973   0.973
  303   1HB   ASN  35          1HB       ASN  35  15.399   1.946   1.946
  304   2HB   ASN  35          2HB       ASN  35  15.150   1.657   1.657
  305   1HD2  ASN  35          1HD2      ASN  35  15.310   5.612   5.612
  306   2HD2  ASN  35          2HD2      ASN  35  14.000   4.784   4.784
  307    H    TRP  36           H        TRP  36  11.087   1.563   1.563
  308    HA   TRP  36           HA       TRP  36  11.074   4.142   4.142
  309   1HB   TRP  36          1HB       TRP  36   8.875   2.767   2.767
  310   2HB   TRP  36          2HB       TRP  36   8.422   3.880   3.880
  311    HD1  TRP  36           HD1      TRP  36  11.261   5.746   5.746
  312    HE1  TRP  36           HE1      TRP  36  10.869   7.543   7.543
  313    HE3  TRP  36           HE3      TRP  36   6.986   3.680   3.680
  314    HZ2  TRP  36           HZ2      TRP  36   8.788   7.900   7.900
  315    HZ3  TRP  36           HZ3      TRP  36   5.886   4.726   4.726
  316    HH2  TRP  36           HH2      TRP  36   6.758   6.812   6.812
  317    H    GLU  37           H        GLU  37   9.203   4.016   4.016
  318    HA   GLU  37           HA       GLU  37   9.795   1.422   1.422
  319   1HB   GLU  37          1HB       GLU  37  10.636   3.726   3.726
  320   2HB   GLU  37          2HB       GLU  37   8.969   4.191   4.191
  321   1HG   GLU  37          1HG       GLU  37  10.092   3.460   3.460
  322   2HG   GLU  37          2HG       GLU  37   8.664   2.514   2.514
  323    H    CYS  38           H        CYS  38   7.995   0.931   0.931
  324    HA   CYS  38           HA       CYS  38   5.276   1.424   1.424
  325   1HB   CYS  38          1HB       CYS  38   6.383  -0.332  -0.332
  326   2HB   CYS  38          2HB       CYS  38   6.369  -1.479  -1.479
  327    H    ARG  39           H        ARG  39   4.754   2.054   2.054
  328    HA   ARG  39           HA       ARG  39   4.321  -0.295  -0.295
  329   1HB   ARG  39          1HB       ARG  39   5.795   1.957   1.957
  330   2HB   ARG  39          2HB       ARG  39   4.215   2.635   2.635
  331   1HG   ARG  39          1HG       ARG  39   4.127   0.182   0.182
  332   2HG   ARG  39          2HG       ARG  39   5.831   0.613   0.613
  333   1HD   ARG  39          1HD       ARG  39   4.309   1.529   1.529
  334   2HD   ARG  39          2HD       ARG  39   5.334   2.741   2.741
  335    HE   ARG  39           HE       ARG  39   2.488   2.214   2.214
  336   1HH1  ARG  39          1HH1      ARG  39   4.806   4.496   4.496
  337   2HH1  ARG  39          2HH1      ARG  39   3.688   5.926   5.926
  338   1HH2  ARG  39          1HH2      ARG  39   1.335   3.808   3.808
  339   2HH2  ARG  39          2HH2      ARG  39   1.798   5.559   5.559
  340    H    TYR  40           H        TYR  40   2.470  -0.983  -0.983
  341    HA   TYR  40           HA       TYR  40   0.128   0.961   0.961
  342   1HB   TYR  40          1HB       TYR  40  -1.165  -1.389  -1.389
  343   2HB   TYR  40          2HB       TYR  40  -0.709  -0.157  -0.157
  344    HD1  TYR  40           HD1      TYR  40   1.417  -2.944  -2.944
  345    HD2  TYR  40           HD2      TYR  40  -0.127  -1.109  -1.109
  346    HE1  TYR  40           HE1      TYR  40   1.860  -5.006  -5.006
  347    HE2  TYR  40           HE2      TYR  40   0.089  -3.249  -3.249
  348    HH   TYR  40           HH       TYR  40  -0.246  -5.537  -5.537
  349    H    SER  41           H        SER  41  -1.024   1.019   1.019
  350    HA   SER  41           HA       SER  41  -0.173  -0.819  -0.819
  351   1HB   SER  41          1HB       SER  41  -1.308   1.976   1.976
  352   2HB   SER  41          2HB       SER  41  -1.800   1.086   1.086
  353    HG   SER  41           HG       SER  41   0.489   2.326   2.326
  354    HA   PRO  42           HA       PRO  42  -3.984  -3.217  -3.217
  355   1HB   PRO  42          1HB       PRO  42  -3.289  -4.994  -4.994
  356   2HB   PRO  42          2HB       PRO  42  -2.685  -5.123  -5.123
  357   1HG   PRO  42          1HG       PRO  42  -1.276  -3.707  -3.707
  358   2HG   PRO  42          2HG       PRO  42  -0.711  -5.087  -5.087
  359   1HD   PRO  42          1HD       PRO  42  -0.178  -2.382  -2.382
  360   2HD   PRO  42          2HD       PRO  42  -0.599  -3.371  -3.371
  361    H    LYS  43           H        LYS  43  -2.785  -3.416  -3.416
  362    HA   LYS  43           HA       LYS  43  -5.661  -2.815  -2.815
  363   1HB   LYS  43          1HB       LYS  43  -4.006  -4.933  -4.933
  364   2HB   LYS  43          2HB       LYS  43  -3.594  -3.813  -3.813
  365   1HG   LYS  43          1HG       LYS  43  -6.574  -4.233  -4.233
  366   2HG   LYS  43          2HG       LYS  43  -5.699  -5.575  -5.575
  367   1HD   LYS  43          1HD       LYS  43  -6.004  -2.698  -2.698
  368   2HD   LYS  43          2HD       LYS  43  -6.828  -4.147  -4.147
  369   1HE   LYS  43          1HE       LYS  43  -4.363  -5.154  -5.154
  370   2HE   LYS  43          2HE       LYS  43  -3.818  -3.473  -3.473
  371   1HZ   LYS  43          1HZ       LYS  43  -6.084  -4.075  -4.075
  372   2HZ   LYS  43          2HZ       LYS  43  -4.530  -4.486  -4.486
  373   3HZ   LYS  43          3HZ       LYS  43  -4.900  -2.887  -2.887

  Start of MODEL   22
    1   1H    MET   1          1H        MET   1 -11.987 -10.471 -10.471
    2   2H    MET   1          2H        MET   1 -11.181 -11.717 -11.717
    3   3H    MET   1          3H        MET   1 -12.302 -12.071 -12.071
    4    HA   MET   1           HA       MET   1 -14.091 -11.684 -11.684
    5   1HB   MET   1          1HB       MET   1 -11.999 -12.323 -12.323
    6   2HB   MET   1          2HB       MET   1 -13.705 -12.740 -12.740
    7   1HG   MET   1          1HG       MET   1 -11.501 -14.038 -14.038
    8   2HG   MET   1          2HG       MET   1 -12.569 -14.782 -14.782
    9   1HE   MET   1          1HE       MET   1 -12.066 -16.151 -16.151
   10   2HE   MET   1          2HE       MET   1 -13.706 -16.794 -16.794
   11   3HE   MET   1          3HE       MET   1 -13.277 -16.234 -16.234
   12    H    LYS   2           H        LYS   2 -11.351  -9.760  -9.760
   13    HA   LYS   2           HA       LYS   2 -11.517  -7.853  -7.853
   14   1HB   LYS   2          1HB       LYS   2 -12.650  -6.983  -6.983
   15   2HB   LYS   2          2HB       LYS   2 -11.726  -5.980  -5.980
   16   1HG   LYS   2          1HG       LYS   2  -9.655  -7.267  -7.267
   17   2HG   LYS   2          2HG       LYS   2 -10.538  -8.574  -8.574
   18   1HD   LYS   2          1HD       LYS   2  -9.813  -7.513  -7.513
   19   2HD   LYS   2          2HD       LYS   2 -11.201  -6.440  -6.440
   20   1HE   LYS   2          1HE       LYS   2  -9.740  -4.897  -4.897
   21   2HE   LYS   2          2HE       LYS   2  -8.337  -5.926  -5.926
   22   1HZ   LYS   2          1HZ       LYS   2  -9.026  -5.588  -5.588
   23   2HZ   LYS   2          2HZ       LYS   2  -9.860  -4.248  -4.248
   24   3HZ   LYS   2          3HZ       LYS   2  -8.198  -4.369  -4.369
   25    H    LEU   3           H        LEU   3 -14.338  -7.546  -7.546
   26    HA   LEU   3           HA       LEU   3 -15.670  -5.547  -5.547
   27   1HB   LEU   3          1HB       LEU   3 -17.888  -7.230  -7.230
   28   2HB   LEU   3          2HB       LEU   3 -17.227  -5.983  -5.983
   29    HG   LEU   3           HG       LEU   3 -15.692  -8.124  -8.124
   30   1HD1  LEU   3          1HD1      LEU   3 -17.361  -9.475  -9.475
   31   2HD1  LEU   3          2HD1      LEU   3 -18.349  -9.529  -9.529
   32   3HD1  LEU   3          3HD1      LEU   3 -16.707 -10.198 -10.198
   33   1HD2  LEU   3          1HD2      LEU   3 -17.376  -6.473  -6.473
   34   2HD2  LEU   3          2HD2      LEU   3 -17.032  -8.070  -8.070
   35   3HD2  LEU   3          3HD2      LEU   3 -18.540  -7.789  -7.789
   36    H    LEU   4           H        LEU   4 -16.296  -8.967  -8.967
   37    HA   LEU   4           HA       LEU   4 -17.669  -8.187  -8.187
   38   1HB   LEU   4          1HB       LEU   4 -17.376 -10.582 -10.582
   39   2HB   LEU   4          2HB       LEU   4 -16.521 -10.944 -10.944
   40    HG   LEU   4           HG       LEU   4 -18.668 -10.238 -10.238
   41   1HD1  LEU   4          1HD1      LEU   4 -19.707 -10.198 -10.198
   42   2HD1  LEU   4          2HD1      LEU   4 -20.796 -10.548 -10.548
   43   3HD1  LEU   4          3HD1      LEU   4 -19.950  -8.983  -8.983
   44   1HD2  LEU   4          1HD2      LEU   4 -18.450 -12.738 -12.738
   45   2HD2  LEU   4          2HD2      LEU   4 -18.365 -12.605 -12.605
   46   3HD2  LEU   4          3HD2      LEU   4 -19.925 -12.459 -12.459
   47    H    SER   5           H        SER   5 -14.484  -9.521  -9.521
   48    HA   SER   5           HA       SER   5 -13.539  -9.203  -9.203
   49   1HB   SER   5          1HB       SER   5 -12.564 -10.569 -10.569
   50   2HB   SER   5          2HB       SER   5 -11.523  -9.159  -9.159
   51    HG   SER   5           HG       SER   5 -10.496 -10.539 -10.539
   52    H    SER   6           H        SER   6 -11.034  -7.924  -7.924
   53    HA   SER   6           HA       SER   6 -11.908  -5.240  -5.240
   54   1HB   SER   6          1HB       SER   6  -9.745  -5.021  -5.021
   55   2HB   SER   6          2HB       SER   6  -9.479  -6.678  -6.678
   56    HG   SER   6           HG       SER   6  -8.219  -5.929  -5.929
   57    H    ILE   7           H        ILE   7 -10.401  -3.421  -3.421
   58    HA   ILE   7           HA       ILE   7 -10.186  -3.515  -3.515
   59    HB   ILE   7           HB       ILE   7 -12.598  -3.693  -3.693
   60   1HG1  ILE   7          1HG1      ILE   7 -11.408  -1.866  -1.866
   61   2HG1  ILE   7          2HG1      ILE   7 -13.154  -1.988  -1.988
   62   1HG2  ILE   7          1HG2      ILE   7 -12.915  -1.419  -1.419
   63   2HG2  ILE   7          2HG2      ILE   7 -14.230  -1.822  -1.822
   64   3HG2  ILE   7          3HG2      ILE   7 -13.680  -3.027  -3.027
   65   1HD1  ILE   7          1HD1      ILE   7 -12.088   0.015   0.015
   66   2HD1  ILE   7          2HD1      ILE   7 -11.978   0.433   0.433
   67   3HD1  ILE   7          3HD1      ILE   7 -13.552   0.056   0.056
   68    H    GLU   8           H        GLU   8 -10.580  -1.549  -1.549
   69    HA   GLU   8           HA       GLU   8  -8.859   0.531   0.531
   70   1HB   GLU   8          1HB       GLU   8  -9.508   2.099   2.099
   71   2HB   GLU   8          2HB       GLU   8 -10.906   1.504   1.504
   72   1HG   GLU   8          1HG       GLU   8 -11.801   1.068   1.068
   73   2HG   GLU   8          2HG       GLU   8 -10.794  -0.360  -0.360
   74    H    GLN   9           H        GLN   9  -7.813  -1.905  -1.905
   75    HA   GLN   9           HA       GLN   9  -5.853  -1.132  -1.132
   76   1HB   GLN   9          1HB       GLN   9  -6.076  -3.452  -3.452
   77   2HB   GLN   9          2HB       GLN   9  -6.485  -3.533  -3.533
   78   1HG   GLN   9          1HG       GLN   9  -4.192  -3.698  -3.698
   79   2HG   GLN   9          2HG       GLN   9  -3.588  -2.839  -2.839
   80   1HE2  GLN   9          1HE2      GLN   9  -3.544  -6.856  -6.856
   81   2HE2  GLN   9          2HE2      GLN   9  -3.903  -5.789  -5.789
   82    H    ALA  10           H        ALA  10  -3.841  -0.432  -0.432
   83    HA   ALA  10           HA       ALA  10  -2.375  -0.330  -0.330
   84   1HB   ALA  10          1HB       ALA  10  -4.305   0.964   0.964
   85   2HB   ALA  10          2HB       ALA  10  -4.171   2.181   2.181
   86   3HB   ALA  10          3HB       ALA  10  -2.879   2.017   2.017
   87    H    CYS  11           H        CYS  11  -0.424   0.867   0.867
   88    HA   CYS  11           HA       CYS  11   0.261   1.118   1.118
   89   1HB   CYS  11          1HB       CYS  11   2.618   1.234   1.234
   90   2HB   CYS  11          2HB       CYS  11   1.735  -0.067  -0.067
   91    H    ASP  12           H        ASP  12   1.902   2.848   2.848
   92    HA   ASP  12           HA       ASP  12   0.407   5.366   5.366
   93   1HB   ASP  12          1HB       ASP  12   2.912   4.337   4.337
   94   2HB   ASP  12          2HB       ASP  12   3.203   5.934   5.934
   95    H    ILE  13           H        ILE  13   3.107   4.167   4.167
   96    HA   ILE  13           HA       ILE  13   3.803   6.718   6.718
   97    HB   ILE  13           HB       ILE  13   4.293   3.790   3.790
   98   1HG1  ILE  13          1HG1      ILE  13   5.982   4.683   4.683
   99   2HG1  ILE  13          2HG1      ILE  13   6.741   4.629   4.629
  100   1HG2  ILE  13          1HG2      ILE  13   3.828   4.730   4.730
  101   2HG2  ILE  13          2HG2      ILE  13   4.970   6.026   6.026
  102   3HG2  ILE  13          3HG2      ILE  13   5.553   4.346   4.346
  103   1HD1  ILE  13          1HD1      ILE  13   6.020   7.159   7.159
  104   2HD1  ILE  13          2HD1      ILE  13   5.815   7.126   7.126
  105   3HD1  ILE  13          3HD1      ILE  13   7.406   6.767   6.767
  106    H    CYS  14           H        CYS  14   1.368   4.428   4.428
  107    HA   CYS  14           HA       CYS  14   0.911   5.821   5.821
  108   1HB   CYS  14          1HB       CYS  14  -0.573   3.517   3.517
  109   2HB   CYS  14          2HB       CYS  14  -1.130   4.195   4.195
  110    H    ARG  15           H        ARG  15  -0.509   5.804   5.804
  111    HA   ARG  15           HA       ARG  15  -2.634   7.638   7.638
  112   1HB   ARG  15          1HB       ARG  15  -2.664   7.299   7.299
  113   2HB   ARG  15          2HB       ARG  15  -1.009   6.721   6.721
  114   1HG   ARG  15          1HG       ARG  15  -0.411   9.401   9.401
  115   2HG   ARG  15          2HG       ARG  15  -2.062   9.554   9.554
  116   1HD   ARG  15          1HD       ARG  15   0.209   7.885   7.885
  117   2HD   ARG  15          2HD       ARG  15  -0.484   9.401   9.401
  118    HE   ARG  15           HE       ARG  15  -2.285   6.995   6.995
  119   1HH1  ARG  15          1HH1      ARG  15  -0.906   9.284   9.284
  120   2HH1  ARG  15          2HH1      ARG  15  -2.018   8.745   8.745
  121   1HH2  ARG  15          1HH2      ARG  15  -3.451   6.463   6.463
  122   2HH2  ARG  15          2HH2      ARG  15  -3.402   7.213   7.213
  123    H    LEU  16           H        LEU  16   0.759   8.510   8.510
  124    HA   LEU  16           HA       LEU  16   0.144  11.403  11.403
  125   1HB   LEU  16          1HB       LEU  16   2.770   9.784   9.784
  126   2HB   LEU  16          2HB       LEU  16   2.773  11.534  11.534
  127    HG   LEU  16           HG       LEU  16   3.203  11.088  11.088
  128   1HD1  LEU  16          1HD1      LEU  16   1.264  12.760  12.760
  129   2HD1  LEU  16          2HD1      LEU  16   0.128  11.453  11.453
  130   3HD1  LEU  16          3HD1      LEU  16   1.290  11.974  11.974
  131   1HD2  LEU  16          1HD2      LEU  16   2.604   8.619   8.619
  132   2HD2  LEU  16          2HD2      LEU  16   2.016   9.384   9.384
  133   3HD2  LEU  16          3HD2      LEU  16   0.889   9.040   9.040
  134    H    LYS  17           H        LYS  17   1.799   9.149   9.149
  135    HA   LYS  17           HA       LYS  17   2.296  11.235  11.235
  136   1HB   LYS  17          1HB       LYS  17   2.467   8.140   8.140
  137   2HB   LYS  17          2HB       LYS  17   2.828   9.085   9.085
  138   1HG   LYS  17          1HG       LYS  17   4.453  10.400  10.400
  139   2HG   LYS  17          2HG       LYS  17   4.419   8.783   8.783
  140   1HD   LYS  17          1HD       LYS  17   5.551   7.853   7.853
  141   2HD   LYS  17          2HD       LYS  17   5.034   9.161   9.161
  142   1HE   LYS  17          1HE       LYS  17   6.461  10.472  10.472
  143   2HE   LYS  17          2HE       LYS  17   7.450   9.068   9.068
  144   1HZ   LYS  17          1HZ       LYS  17   6.945   9.813   9.813
  145   2HZ   LYS  17          2HZ       LYS  17   6.604  11.304  11.304
  146   3HZ   LYS  17          3HZ       LYS  17   8.126  10.611  10.611
  147    H    LYS  18           H        LYS  18  -0.365   9.368   9.368
  148    HA   LYS  18           HA       LYS  18  -2.524   9.211   9.211
  149   1HB   LYS  18          1HB       LYS  18  -1.533  11.381  11.381
  150   2HB   LYS  18          2HB       LYS  18  -3.186  10.844  10.844
  151   1HG   LYS  18          1HG       LYS  18  -2.797  11.580  11.580
  152   2HG   LYS  18          2HG       LYS  18  -1.286  12.301  12.301
  153   1HD   LYS  18          1HD       LYS  18  -4.057  13.305  13.305
  154   2HD   LYS  18          2HD       LYS  18  -2.536  14.197  14.197
  155   1HE   LYS  18          1HE       LYS  18  -2.408  13.163  13.163
  156   2HE   LYS  18          2HE       LYS  18  -4.086  12.644  12.644
  157   1HZ   LYS  18          1HZ       LYS  18  -4.670  14.960  14.960
  158   2HZ   LYS  18          2HZ       LYS  18  -3.088  15.438  15.438
  159   3HZ   LYS  18          3HZ       LYS  18  -4.030  14.792  14.792
  160    H    LEU  19           H        LEU  19  -0.669   7.422   7.422
  161    HA   LEU  19           HA       LEU  19  -1.545   6.709   6.709
  162   1HB   LEU  19          1HB       LEU  19   0.162   4.832   4.832
  163   2HB   LEU  19          2HB       LEU  19   0.084   4.945   4.945
  164    HG   LEU  19           HG       LEU  19   2.102   5.927   5.927
  165   1HD1  LEU  19          1HD1      LEU  19   0.477   7.970   7.970
  166   2HD1  LEU  19          2HD1      LEU  19   0.857   8.400   8.400
  167   3HD1  LEU  19          3HD1      LEU  19   2.153   8.341   8.341
  168   1HD2  LEU  19          1HD2      LEU  19   2.463   5.207   5.207
  169   2HD2  LEU  19          2HD2      LEU  19   3.187   6.804   6.804
  170   3HD2  LEU  19          3HD2      LEU  19   1.662   6.700   6.700
  171    H    LYS  20           H        LYS  20  -1.803   4.221   4.221
  172    HA   LYS  20           HA       LYS  20  -4.101   3.499   3.499
  173   1HB   LYS  20          1HB       LYS  20  -4.208   1.396   1.396
  174   2HB   LYS  20          2HB       LYS  20  -4.526   2.920   2.920
  175   1HG   LYS  20          1HG       LYS  20  -1.614   2.325   2.325
  176   2HG   LYS  20          2HG       LYS  20  -2.525   0.930   0.930
  177   1HD   LYS  20          1HD       LYS  20  -3.490   2.236   2.236
  178   2HD   LYS  20          2HD       LYS  20  -3.063   3.777   3.777
  179   1HE   LYS  20          1HE       LYS  20  -0.985   1.687   1.687
  180   2HE   LYS  20          2HE       LYS  20  -1.422   3.150   3.150
  181   1HZ   LYS  20          1HZ       LYS  20  -0.596   3.395   3.395
  182   2HZ   LYS  20          2HZ       LYS  20   0.566   3.191   3.191
  183   3HZ   LYS  20          3HZ       LYS  20  -0.476   4.511   4.511
  184    H    CYS  21           H        CYS  21  -3.700   0.696   0.696
  185    HA   CYS  21           HA       CYS  21  -0.925   0.034   0.034
  186   1HB   CYS  21          1HB       CYS  21  -1.871   1.471   1.471
  187   2HB   CYS  21          2HB       CYS  21  -2.874   0.070   0.070
  188    H    SER  22           H        SER  22  -1.424  -1.505  -1.505
  189    HA   SER  22           HA       SER  22  -3.079  -3.759  -3.759
  190   1HB   SER  22          1HB       SER  22  -0.911  -5.159  -5.159
  191   2HB   SER  22          2HB       SER  22  -1.539  -3.965  -3.965
  192    HG   SER  22           HG       SER  22   0.086  -2.573  -2.573
  193    H    LYS  23           H        LYS  23  -0.333  -3.118  -3.118
  194    HA   LYS  23           HA       LYS  23  -0.342  -3.629  -3.629
  195   1HB   LYS  23          1HB       LYS  23  -2.536  -5.767  -5.767
  196   2HB   LYS  23          2HB       LYS  23  -2.034  -5.161  -5.161
  197   1HG   LYS  23          1HG       LYS  23  -3.520  -3.390  -3.390
  198   2HG   LYS  23          2HG       LYS  23  -2.855  -2.871  -2.871
  199   1HD   LYS  23          1HD       LYS  23  -4.396  -4.428  -4.428
  200   2HD   LYS  23          2HD       LYS  23  -4.905  -5.155  -5.155
  201   1HE   LYS  23          1HE       LYS  23  -5.839  -2.950  -2.950
  202   2HE   LYS  23          2HE       LYS  23  -5.287  -2.144  -2.144
  203   1HZ   LYS  23          1HZ       LYS  23  -6.625  -4.030  -4.030
  204   2HZ   LYS  23          2HZ       LYS  23  -7.424  -4.139  -4.139
  205   3HZ   LYS  23          3HZ       LYS  23  -7.421  -2.688  -2.688
  206    H    GLU  24           H        GLU  24   0.640  -5.463  -5.463
  207    HA   GLU  24           HA       GLU  24   1.635  -7.845  -7.845
  208   1HB   GLU  24          1HB       GLU  24   3.962  -7.093  -7.093
  209   2HB   GLU  24          2HB       GLU  24   2.587  -7.588  -7.588
  210   1HG   GLU  24          1HG       GLU  24   2.040  -4.898  -4.898
  211   2HG   GLU  24          2HG       GLU  24   3.742  -4.766  -4.766
  212    H    LYS  25           H        LYS  25   3.584  -8.392  -8.392
  213    HA   LYS  25           HA       LYS  25   4.105  -6.430  -6.430
  214   1HB   LYS  25          1HB       LYS  25   3.091  -9.339  -9.339
  215   2HB   LYS  25          2HB       LYS  25   3.580  -8.289  -8.289
  216   1HG   LYS  25          1HG       LYS  25   1.678  -6.654  -6.654
  217   2HG   LYS  25          2HG       LYS  25   1.171  -7.867  -7.867
  218   1HD   LYS  25          1HD       LYS  25   1.061  -9.451  -9.451
  219   2HD   LYS  25          2HD       LYS  25   1.081  -7.916  -7.916
  220   1HE   LYS  25          1HE       LYS  25  -1.167  -7.640  -7.640
  221   2HE   LYS  25          2HE       LYS  25  -0.795  -7.482  -7.482
  222   1HZ   LYS  25          1HZ       LYS  25  -0.600 -10.125 -10.125
  223   2HZ   LYS  25          2HZ       LYS  25  -1.749  -9.801  -9.801
  224   3HZ   LYS  25          3HZ       LYS  25  -2.026  -9.333  -9.333
  225    HA   PRO  26           HA       PRO  26   5.019  -6.651  -6.651
  226   1HB   PRO  26          1HB       PRO  26   7.297  -5.262  -5.262
  227   2HB   PRO  26          2HB       PRO  26   6.999  -7.044  -7.044
  228   1HG   PRO  26          1HG       PRO  26   8.443  -6.150  -6.150
  229   2HG   PRO  26          2HG       PRO  26   9.098  -7.053  -7.053
  230   1HD   PRO  26          1HD       PRO  26   8.166  -8.208  -8.208
  231   2HD   PRO  26          2HD       PRO  26   7.614  -8.887  -8.887
  232    H    LYS  27           H        LYS  27   7.313  -5.385  -5.385
  233    HA   LYS  27           HA       LYS  27   5.749  -2.751  -2.751
  234   1HB   LYS  27          1HB       LYS  27   8.378  -3.308  -3.308
  235   2HB   LYS  27          2HB       LYS  27   7.691  -1.746  -1.746
  236   1HG   LYS  27          1HG       LYS  27   8.204  -2.077  -2.077
  237   2HG   LYS  27          2HG       LYS  27   8.581  -3.779  -3.779
  238   1HD   LYS  27          1HD       LYS  27  10.252  -1.876  -1.876
  239   2HD   LYS  27          2HD       LYS  27  10.380  -1.623  -1.623
  240   1HE   LYS  27          1HE       LYS  27  10.572  -4.321  -4.321
  241   2HE   LYS  27          2HE       LYS  27  11.049  -4.177  -4.177
  242   1HZ   LYS  27          1HZ       LYS  27  12.347  -2.218  -2.218
  243   2HZ   LYS  27          2HZ       LYS  27  12.674  -3.791  -3.791
  244   3HZ   LYS  27          3HZ       LYS  27  13.001  -3.324  -3.324
  245    H    CYS  28           H        CYS  28   4.527  -2.137  -2.137
  246    HA   CYS  28           HA       CYS  28   3.750  -3.959  -3.959
  247   1HB   CYS  28          1HB       CYS  28   3.162  -1.703  -1.703
  248   2HB   CYS  28          2HB       CYS  28   2.263  -2.139  -2.139
  249    H    ALA  29           H        ALA  29   4.000  -3.195  -3.195
  250    HA   ALA  29           HA       ALA  29   6.730  -3.618  -3.618
  251   1HB   ALA  29          1HB       ALA  29   4.636  -3.740  -3.740
  252   2HB   ALA  29          2HB       ALA  29   4.422  -1.979  -1.979
  253   3HB   ALA  29          3HB       ALA  29   5.829  -2.643  -2.643
  254    H    LYS  30           H        LYS  30   4.913  -0.703  -0.703
  255    HA   LYS  30           HA       LYS  30   6.910   1.092   1.092
  256   1HB   LYS  30          1HB       LYS  30   4.367   1.502   1.502
  257   2HB   LYS  30          2HB       LYS  30   4.879   1.910   1.910
  258   1HG   LYS  30          1HG       LYS  30   5.863   3.944   3.944
  259   2HG   LYS  30          2HG       LYS  30   6.513   3.255   3.255
  260   1HD   LYS  30          1HD       LYS  30   3.757   3.378   3.378
  261   2HD   LYS  30          2HD       LYS  30   3.955   4.748   4.748
  262   1HE   LYS  30          1HE       LYS  30   4.687   5.909   5.909
  263   2HE   LYS  30          2HE       LYS  30   6.235   5.110   5.110
  264   1HZ   LYS  30          1HZ       LYS  30   4.104   3.861   3.861
  265   2HZ   LYS  30          2HZ       LYS  30   5.330   4.823   4.823
  266   3HZ   LYS  30          3HZ       LYS  30   5.710   3.382   3.382
  267    H    CYS  31           H        CYS  31   6.261   0.515   0.515
  268    HA   CYS  31           HA       CYS  31   8.421   2.309   2.309
  269   1HB   CYS  31          1HB       CYS  31   7.406  -0.211  -0.211
  270   2HB   CYS  31          2HB       CYS  31   8.309   1.125   1.125
  271    H    LEU  32           H        LEU  32   8.341  -1.024  -1.024
  272    HA   LEU  32           HA       LEU  32  11.171  -1.543  -1.543
  273   1HB   LEU  32          1HB       LEU  32   9.261  -3.285  -3.285
  274   2HB   LEU  32          2HB       LEU  32   9.569  -2.887  -2.887
  275    HG   LEU  32           HG       LEU  32  10.661  -4.974  -4.974
  276   1HD1  LEU  32          1HD1      LEU  32  12.030  -3.291  -3.291
  277   2HD1  LEU  32          2HD1      LEU  32  12.949  -2.887  -2.887
  278   3HD1  LEU  32          3HD1      LEU  32  13.018  -4.544  -4.544
  279   1HD2  LEU  32          1HD2      LEU  32  10.751  -4.693  -4.693
  280   2HD2  LEU  32          2HD2      LEU  32  12.280  -5.323  -5.323
  281   3HD2  LEU  32          3HD2      LEU  32  12.146  -3.614  -3.614
  282    H    LYS  33           H        LYS  33   9.575  -0.079  -0.079
  283    HA   LYS  33           HA       LYS  33  11.995  -0.277  -0.277
  284   1HB   LYS  33          1HB       LYS  33   9.338   1.316   1.316
  285   2HB   LYS  33          2HB       LYS  33  10.608   1.465   1.465
  286   1HG   LYS  33          1HG       LYS  33  10.198  -1.400  -1.400
  287   2HG   LYS  33          2HG       LYS  33   8.587  -0.687  -0.687
  288   1HD   LYS  33          1HD       LYS  33   9.053   0.335   0.335
  289   2HD   LYS  33          2HD       LYS  33  10.734  -0.228  -0.228
  290   1HE   LYS  33          1HE       LYS  33   9.185  -1.803  -1.803
  291   2HE   LYS  33          2HE       LYS  33  10.056  -2.612  -2.612
  292   1HZ   LYS  33          1HZ       LYS  33   7.366  -1.442  -1.442
  293   2HZ   LYS  33          2HZ       LYS  33   7.582  -3.005  -3.005
  294   3HZ   LYS  33          3HZ       LYS  33   8.177  -2.580  -2.580
  295    H    ASN  34           H        ASN  34  10.770   1.886   1.886
  296    HA   ASN  34           HA       ASN  34  12.863   3.970   3.970
  297   1HB   ASN  34          1HB       ASN  34  10.006   4.158   4.158
  298   2HB   ASN  34          2HB       ASN  34  11.119   5.396   5.396
  299   1HD2  ASN  34          1HD2      ASN  34   9.284   6.057   6.057
  300   2HD2  ASN  34          2HD2      ASN  34   8.680   5.098   5.098
  301    H    ASN  35           H        ASN  35  12.638   1.475   1.475
  302    HA   ASN  35           HA       ASN  35  13.226   1.026   1.026
  303   1HB   ASN  35          1HB       ASN  35  15.449   1.517   1.517
  304   2HB   ASN  35          2HB       ASN  35  15.160   3.239   3.239
  305   1HD2  ASN  35          1HD2      ASN  35  15.765   2.511   2.511
  306   2HD2  ASN  35          2HD2      ASN  35  14.241   1.849   1.849
  307    H    TRP  36           H        TRP  36  11.246   1.541   1.541
  308    HA   TRP  36           HA       TRP  36  11.217   4.183   4.183
  309   1HB   TRP  36          1HB       TRP  36   9.038   2.810   2.810
  310   2HB   TRP  36          2HB       TRP  36   8.566   3.948   3.948
  311    HD1  TRP  36           HD1      TRP  36  11.496   5.725   5.725
  312    HE1  TRP  36           HE1      TRP  36  11.157   7.556   7.556
  313    HE3  TRP  36           HE3      TRP  36   7.201   3.765   3.765
  314    HZ2  TRP  36           HZ2      TRP  36   9.087   7.993   7.993
  315    HZ3  TRP  36           HZ3      TRP  36   6.055   4.948   4.948
  316    HH2  TRP  36           HH2      TRP  36   7.031   6.974   6.974
  317    H    GLU  37           H        GLU  37   9.295   4.111   4.111
  318    HA   GLU  37           HA       GLU  37   9.626   1.472   1.472
  319   1HB   GLU  37          1HB       GLU  37  10.325   3.916   3.916
  320   2HB   GLU  37          2HB       GLU  37   8.619   4.134   4.134
  321   1HG   GLU  37          1HG       GLU  37  10.354   3.223   3.223
  322   2HG   GLU  37          2HG       GLU  37   8.658   2.810   2.810
  323    H    CYS  38           H        CYS  38   7.981   0.976   0.976
  324    HA   CYS  38           HA       CYS  38   5.219   1.458   1.458
  325   1HB   CYS  38          1HB       CYS  38   6.421  -0.274  -0.274
  326   2HB   CYS  38          2HB       CYS  38   6.434  -1.403  -1.403
  327    H    ARG  39           H        ARG  39   4.552   2.092   2.092
  328    HA   ARG  39           HA       ARG  39   4.258  -0.194  -0.194
  329   1HB   ARG  39          1HB       ARG  39   5.230   2.550   2.550
  330   2HB   ARG  39          2HB       ARG  39   3.713   2.438   2.438
  331   1HG   ARG  39          1HG       ARG  39   4.894   0.113   0.113
  332   2HG   ARG  39          2HG       ARG  39   6.362   0.971   0.971
  333   1HD   ARG  39          1HD       ARG  39   5.392   2.998   2.998
  334   2HD   ARG  39          2HD       ARG  39   4.224   1.814   1.814
  335    HE   ARG  39           HE       ARG  39   7.007   0.794   0.794
  336   1HH1  ARG  39          1HH1      ARG  39   4.735   2.693   2.693
  337   2HH1  ARG  39          2HH1      ARG  39   5.630   2.397   2.397
  338   1HH2  ARG  39          1HH2      ARG  39   7.920   0.516   0.516
  339   2HH2  ARG  39          2HH2      ARG  39   7.362   1.214   1.214
  340    H    TYR  40           H        TYR  40   2.512  -0.983  -0.983
  341    HA   TYR  40           HA       TYR  40  -0.035   0.574   0.574
  342   1HB   TYR  40          1HB       TYR  40  -1.163  -1.591  -1.591
  343   2HB   TYR  40          2HB       TYR  40  -0.613  -0.273  -0.273
  344    HD1  TYR  40           HD1      TYR  40   1.274  -3.255  -3.255
  345    HD2  TYR  40           HD2      TYR  40   0.094  -1.034  -1.034
  346    HE1  TYR  40           HE1      TYR  40   2.300  -4.958  -4.958
  347    HE2  TYR  40           HE2      TYR  40   1.222  -2.699  -2.699
  348    HH   TYR  40           HH       TYR  40   1.232  -5.432  -5.432
  349    H    SER  41           H        SER  41   1.134   0.093   0.093
  350    HA   SER  41           HA       SER  41   1.458  -2.493  -2.493
  351   1HB   SER  41          1HB       SER  41   0.976  -1.398  -1.398
  352   2HB   SER  41          2HB       SER  41   2.275  -0.692  -0.692
  353    HG   SER  41           HG       SER  41   0.715   0.899   0.899
  354    HA   PRO  42           HA       PRO  42  -2.670  -4.246  -4.246
  355   1HB   PRO  42          1HB       PRO  42  -1.964  -6.586  -6.586
  356   2HB   PRO  42          2HB       PRO  42  -1.533  -6.229  -6.229
  357   1HG   PRO  42          1HG       PRO  42   0.229  -5.610  -5.610
  358   2HG   PRO  42          2HG       PRO  42   0.515  -6.789  -6.789
  359   1HD   PRO  42          1HD       PRO  42   1.388  -4.187  -4.187
  360   2HD   PRO  42          2HD       PRO  42   0.674  -4.789  -4.789
  361    H    LYS  43           H        LYS  43  -0.491  -3.813  -3.813
  362    HA   LYS  43           HA       LYS  43  -0.897  -3.664  -3.664
  363   1HB   LYS  43          1HB       LYS  43  -3.923  -3.521  -3.521
  364   2HB   LYS  43          2HB       LYS  43  -3.039  -2.795  -2.795
  365   1HG   LYS  43          1HG       LYS  43  -1.902  -1.191  -1.191
  366   2HG   LYS  43          2HG       LYS  43  -2.763  -1.951  -1.951
  367   1HD   LYS  43          1HD       LYS  43  -3.707   0.266   0.266
  368   2HD   LYS  43          2HD       LYS  43  -4.894  -1.052  -1.052
  369   1HE   LYS  43          1HE       LYS  43  -4.902  -1.371  -1.371
  370   2HE   LYS  43          2HE       LYS  43  -3.282  -0.691  -0.691
  371   1HZ   LYS  43          1HZ       LYS  43  -4.173   1.491   1.491
  372   2HZ   LYS  43          2HZ       LYS  43  -5.719   0.838   0.838
  373   3HZ   LYS  43          3HZ       LYS  43  -4.923   0.873   0.873

  Start of MODEL   23
    1   1H    MET   1          1H        MET   1 -10.902 -11.712 -11.712
    2   2H    MET   1          2H        MET   1 -10.955 -11.331 -11.331
    3   3H    MET   1          3H        MET   1  -9.627 -10.876 -10.876
    4    HA   MET   1           HA       MET   1  -8.616 -12.793 -12.793
    5   1HB   MET   1          1HB       MET   1 -10.888 -13.100 -13.100
    6   2HB   MET   1          2HB       MET   1  -9.538 -14.218 -14.218
    7   1HG   MET   1          1HG       MET   1  -7.902 -12.388 -12.388
    8   2HG   MET   1          2HG       MET   1  -9.223 -11.204 -11.204
    9   1HE   MET   1          1HE       MET   1  -9.454 -10.252 -10.252
   10   2HE   MET   1          2HE       MET   1 -11.077 -10.997 -10.997
   11   3HE   MET   1          3HE       MET   1  -9.974 -10.978 -10.978
   12    H    LYS   2           H        LYS   2 -11.753 -14.178 -14.178
   13    HA   LYS   2           HA       LYS   2 -11.415 -16.210 -16.210
   14   1HB   LYS   2          1HB       LYS   2 -13.627 -15.568 -15.568
   15   2HB   LYS   2          2HB       LYS   2 -13.949 -16.697 -16.697
   16   1HG   LYS   2          1HG       LYS   2 -11.572 -17.007 -17.007
   17   2HG   LYS   2          2HG       LYS   2 -13.152 -17.746 -17.746
   18   1HD   LYS   2          1HD       LYS   2 -10.981 -18.366 -18.366
   19   2HD   LYS   2          2HD       LYS   2 -11.803 -19.469 -19.469
   20   1HE   LYS   2          1HE       LYS   2 -14.035 -18.799 -18.799
   21   2HE   LYS   2          2HE       LYS   2 -12.928 -18.258 -18.258
   22   1HZ   LYS   2          1HZ       LYS   2 -12.173 -20.813 -20.813
   23   2HZ   LYS   2          2HZ       LYS   2 -13.723 -20.820 -20.820
   24   3HZ   LYS   2          3HZ       LYS   2 -12.414 -20.340 -20.340
   25    H    LEU   3           H        LEU   3 -13.116 -13.210 -13.210
   26    HA   LEU   3           HA       LEU   3 -14.623 -13.557 -13.557
   27   1HB   LEU   3          1HB       LEU   3 -14.512 -11.141 -11.141
   28   2HB   LEU   3          2HB       LEU   3 -15.612 -11.300 -11.300
   29    HG   LEU   3           HG       LEU   3 -16.524 -13.450 -13.450
   30   1HD1  LEU   3          1HD1      LEU   3 -14.795 -12.144 -12.144
   31   2HD1  LEU   3          2HD1      LEU   3 -16.261 -13.060 -13.060
   32   3HD1  LEU   3          3HD1      LEU   3 -14.939 -13.863 -13.863
   33   1HD2  LEU   3          1HD2      LEU   3 -17.025 -10.551 -10.551
   34   2HD2  LEU   3          2HD2      LEU   3 -18.016 -11.556 -11.556
   35   3HD2  LEU   3          3HD2      LEU   3 -17.960 -11.931 -11.931
   36    H    LEU   4           H        LEU   4 -14.803 -11.265 -11.265
   37    HA   LEU   4           HA       LEU   4 -11.913 -10.561 -10.561
   38   1HB   LEU   4          1HB       LEU   4 -13.345 -10.126 -10.126
   39   2HB   LEU   4          2HB       LEU   4 -12.317 -11.508 -11.508
   40    HG   LEU   4           HG       LEU   4 -15.351 -11.455 -11.455
   41   1HD1  LEU   4          1HD1      LEU   4 -13.692 -12.142 -12.142
   42   2HD1  LEU   4          2HD1      LEU   4 -15.116 -13.155 -13.155
   43   3HD1  LEU   4          3HD1      LEU   4 -15.299 -11.399 -11.399
   44   1HD2  LEU   4          1HD2      LEU   4 -13.221 -13.639 -13.639
   45   2HD2  LEU   4          2HD2      LEU   4 -14.559 -13.252 -13.252
   46   3HD2  LEU   4          3HD2      LEU   4 -14.882 -14.098 -14.098
   47    H    SER   5           H        SER   5 -11.558  -8.727  -8.727
   48    HA   SER   5           HA       SER   5 -13.441  -6.484  -6.484
   49   1HB   SER   5          1HB       SER   5 -12.747  -7.277  -7.277
   50   2HB   SER   5          2HB       SER   5 -12.852  -5.557  -5.557
   51    HG   SER   5           HG       SER   5 -14.837  -6.673  -6.673
   52    H    SER   6           H        SER   6 -12.589  -4.666  -4.666
   53    HA   SER   6           HA       SER   6 -10.897  -3.058  -3.058
   54   1HB   SER   6          1HB       SER   6  -8.833  -3.981  -3.981
   55   2HB   SER   6          2HB       SER   6  -9.618  -2.414  -2.414
   56    HG   SER   6           HG       SER   6 -10.195  -3.398  -3.398
   57    H    ILE   7           H        ILE   7 -10.354  -3.544  -3.544
   58    HA   ILE   7           HA       ILE   7  -7.814  -5.151  -5.151
   59    HB   ILE   7           HB       ILE   7 -10.380  -6.383  -6.383
   60   1HG1  ILE   7          1HG1      ILE   7  -7.553  -7.337  -7.337
   61   2HG1  ILE   7          2HG1      ILE   7  -8.477  -7.714  -7.714
   62   1HG2  ILE   7          1HG2      ILE   7 -10.393  -5.266  -5.266
   63   2HG2  ILE   7          2HG2      ILE   7  -9.068  -6.321  -6.321
   64   3HG2  ILE   7          3HG2      ILE   7 -10.632  -7.027  -7.027
   65   1HD1  ILE   7          1HD1      ILE   7 -10.238  -8.882  -8.882
   66   2HD1  ILE   7          2HD1      ILE   7  -8.873  -8.938  -8.938
   67   3HD1  ILE   7          3HD1      ILE   7  -8.727  -9.711  -9.711
   68    H    GLU   8           H        GLU   8  -8.545  -2.421  -2.421
   69    HA   GLU   8           HA       GLU   8  -8.858  -1.889  -1.889
   70   1HB   GLU   8          1HB       GLU   8  -9.299  -0.436  -0.436
   71   2HB   GLU   8          2HB       GLU   8  -8.417   0.565   0.565
   72   1HG   GLU   8          1HG       GLU   8 -11.106   0.635   0.635
   73   2HG   GLU   8          2HG       GLU   8 -10.281   0.863   0.863
   74    H    GLN   9           H        GLN   9  -7.022  -2.699  -2.699
   75    HA   GLN   9           HA       GLN   9  -4.393  -2.080  -2.080
   76   1HB   GLN   9          1HB       GLN   9  -5.525  -3.527  -3.527
   77   2HB   GLN   9          2HB       GLN   9  -3.940  -2.824  -2.824
   78   1HG   GLN   9          1HG       GLN   9  -2.903  -4.561  -4.561
   79   2HG   GLN   9          2HG       GLN   9  -3.770  -4.194  -4.194
   80   1HE2  GLN   9          1HE2      GLN   9  -4.785  -7.474  -7.474
   81   2HE2  GLN   9          2HE2      GLN   9  -3.681  -6.168  -6.168
   82    H    ALA  10           H        ALA  10  -2.819  -1.650  -1.650
   83    HA   ALA  10           HA       ALA  10  -2.447  -0.154  -0.154
   84   1HB   ALA  10          1HB       ALA  10  -4.759   0.722   0.722
   85   2HB   ALA  10          2HB       ALA  10  -4.483   1.731   1.731
   86   3HB   ALA  10          3HB       ALA  10  -3.628   2.086   2.086
   87    H    CYS  11           H        CYS  11  -0.421   0.885   0.885
   88    HA   CYS  11           HA       CYS  11   0.517   1.252   1.252
   89   1HB   CYS  11          1HB       CYS  11   2.758   1.332   1.332
   90   2HB   CYS  11          2HB       CYS  11   1.821   0.055   0.055
   91    H    ASP  12           H        ASP  12   2.135   3.018   3.018
   92    HA   ASP  12           HA       ASP  12   0.620   5.523   5.523
   93   1HB   ASP  12          1HB       ASP  12   2.259   5.272   5.272
   94   2HB   ASP  12          2HB       ASP  12   3.487   4.675   4.675
   95    H    ILE  13           H        ILE  13   2.864   4.202   4.202
   96    HA   ILE  13           HA       ILE  13   3.543   6.860   6.860
   97    HB   ILE  13           HB       ILE  13   4.089   3.934   3.934
   98   1HG1  ILE  13          1HG1      ILE  13   5.643   4.772   4.772
   99   2HG1  ILE  13          2HG1      ILE  13   6.525   4.642   4.642
  100   1HG2  ILE  13          1HG2      ILE  13   4.346   6.281   6.281
  101   2HG2  ILE  13          2HG2      ILE  13   5.764   5.214   5.214
  102   3HG2  ILE  13          3HG2      ILE  13   4.166   4.578   4.578
  103   1HD1  ILE  13          1HD1      ILE  13   5.344   7.382   7.382
  104   2HD1  ILE  13          2HD1      ILE  13   6.679   6.887   6.887
  105   3HD1  ILE  13          3HD1      ILE  13   6.905   6.897   6.897
  106    H    CYS  14           H        CYS  14   1.151   4.466   4.466
  107    HA   CYS  14           HA       CYS  14   0.528   5.713   5.713
  108   1HB   CYS  14          1HB       CYS  14  -0.517   3.314   3.314
  109   2HB   CYS  14          2HB       CYS  14  -1.615   4.038   4.038
  110    H    ARG  15           H        ARG  15  -0.990   5.615   5.615
  111    HA   ARG  15           HA       ARG  15  -3.051   7.501   7.501
  112   1HB   ARG  15          1HB       ARG  15  -3.084   7.993   7.993
  113   2HB   ARG  15          2HB       ARG  15  -2.602   6.315   6.315
  114   1HG   ARG  15          1HG       ARG  15  -0.133   7.046   7.046
  115   2HG   ARG  15          2HG       ARG  15  -0.686   8.706   8.706
  116   1HD   ARG  15          1HD       ARG  15  -2.001   6.571   6.571
  117   2HD   ARG  15          2HD       ARG  15  -0.315   7.025   7.025
  118    HE   ARG  15           HE       ARG  15  -2.619   9.016   9.016
  119   1HH1  ARG  15          1HH1      ARG  15   0.409   8.071   8.071
  120   2HH1  ARG  15          2HH1      ARG  15   0.437   9.539   9.539
  121   1HH2  ARG  15          1HH2      ARG  15  -2.520  10.577  10.577
  122   2HH2  ARG  15          2HH2      ARG  15  -1.153  10.905  10.905
  123    H    LEU  16           H        LEU  16   0.307   8.269   8.269
  124    HA   LEU  16           HA       LEU  16  -0.233  11.166  11.166
  125   1HB   LEU  16          1HB       LEU  16   1.868  11.261  11.261
  126   2HB   LEU  16          2HB       LEU  16   1.749   9.513   9.513
  127    HG   LEU  16           HG       LEU  16   2.964   9.589   9.589
  128   1HD1  LEU  16          1HD1      LEU  16   2.827  12.166  12.166
  129   2HD1  LEU  16          2HD1      LEU  16   3.946  12.273  12.273
  130   3HD1  LEU  16          3HD1      LEU  16   4.477  11.517  11.517
  131   1HD2  LEU  16          1HD2      LEU  16   3.853   8.637   8.637
  132   2HD2  LEU  16          2HD2      LEU  16   5.132   9.403   9.403
  133   3HD2  LEU  16          3HD2      LEU  16   4.458  10.243  10.243
  134    H    LYS  17           H        LYS  17   1.335   9.055   9.055
  135    HA   LYS  17           HA       LYS  17   1.938  11.384  11.384
  136   1HB   LYS  17          1HB       LYS  17   2.348   8.326   8.326
  137   2HB   LYS  17          2HB       LYS  17   2.730   9.388   9.388
  138   1HG   LYS  17          1HG       LYS  17   3.998  10.574  10.574
  139   2HG   LYS  17          2HG       LYS  17   4.291   8.840   8.840
  140   1HD   LYS  17          1HD       LYS  17   4.774   9.824   9.824
  141   2HD   LYS  17          2HD       LYS  17   5.645  10.829  10.829
  142   1HE   LYS  17          1HE       LYS  17   5.760   7.727   7.727
  143   2HE   LYS  17          2HE       LYS  17   7.042   8.806   8.806
  144   1HZ   LYS  17          1HZ       LYS  17   6.075   9.259   9.259
  145   2HZ   LYS  17          2HZ       LYS  17   6.984   7.872   7.872
  146   3HZ   LYS  17          3HZ       LYS  17   7.628   9.383   9.383
  147    H    LYS  18           H        LYS  18  -0.633   9.229   9.229
  148    HA   LYS  18           HA       LYS  18  -2.517   8.694   8.694
  149   1HB   LYS  18          1HB       LYS  18  -1.792  11.396  11.396
  150   2HB   LYS  18          2HB       LYS  18  -3.042  10.359  10.359
  151   1HG   LYS  18          1HG       LYS  18  -4.354  10.461  10.461
  152   2HG   LYS  18          2HG       LYS  18  -3.025  11.271  11.271
  153   1HD   LYS  18          1HD       LYS  18  -4.373  12.519  12.519
  154   2HD   LYS  18          2HD       LYS  18  -5.154  12.609  12.609
  155   1HE   LYS  18          1HE       LYS  18  -3.152  13.716  13.716
  156   2HE   LYS  18          2HE       LYS  18  -2.218  13.513  13.513
  157   1HZ   LYS  18          1HZ       LYS  18  -4.641  14.740  14.740
  158   2HZ   LYS  18          2HZ       LYS  18  -4.020  15.560  15.560
  159   3HZ   LYS  18          3HZ       LYS  18  -3.087  15.381  15.381
  160    H    LEU  19           H        LEU  19  -1.245   6.941   6.941
  161    HA   LEU  19           HA       LEU  19  -0.773   6.713   6.713
  162   1HB   LEU  19          1HB       LEU  19   0.973   4.798   4.798
  163   2HB   LEU  19          2HB       LEU  19   1.402   6.066   6.066
  164    HG   LEU  19           HG       LEU  19   1.121   7.143   7.143
  165   1HD1  LEU  19          1HD1      LEU  19   2.240   4.478   4.478
  166   2HD1  LEU  19          2HD1      LEU  19   3.616   5.584   5.584
  167   3HD1  LEU  19          3HD1      LEU  19   2.297   5.570   5.570
  168   1HD2  LEU  19          1HD2      LEU  19   3.277   7.181   7.181
  169   2HD2  LEU  19          2HD2      LEU  19   2.359   8.536   8.536
  170   3HD2  LEU  19          3HD2      LEU  19   3.637   7.764   7.764
  171    H    LYS  20           H        LYS  20  -0.304   4.248   4.248
  172    HA   LYS  20           HA       LYS  20  -2.884   2.947   2.947
  173   1HB   LYS  20          1HB       LYS  20  -2.313   1.208   1.208
  174   2HB   LYS  20          2HB       LYS  20  -2.354   2.835   2.835
  175   1HG   LYS  20          1HG       LYS  20   0.152   2.970   2.970
  176   2HG   LYS  20          2HG       LYS  20   0.261   1.452   1.452
  177   1HD   LYS  20          1HD       LYS  20  -0.616   1.930   1.930
  178   2HD   LYS  20          2HD       LYS  20   0.832   1.075   1.075
  179   1HE   LYS  20          1HE       LYS  20  -0.335  -0.895  -0.895
  180   2HE   LYS  20          2HE       LYS  20  -1.753  -0.033  -0.033
  181   1HZ   LYS  20          1HZ       LYS  20  -2.268   0.578   0.578
  182   2HZ   LYS  20          2HZ       LYS  20  -1.032  -0.444  -0.444
  183   3HZ   LYS  20          3HZ       LYS  20  -2.353  -1.070  -1.070
  184    H    CYS  21           H        CYS  21  -3.100   1.094   1.094
  185    HA   CYS  21           HA       CYS  21  -0.511   0.031   0.031
  186   1HB   CYS  21          1HB       CYS  21  -1.710   1.875   1.875
  187   2HB   CYS  21          2HB       CYS  21  -2.982   0.682   0.682
  188    H    SER  22           H        SER  22  -1.408  -1.420  -1.420
  189    HA   SER  22           HA       SER  22  -3.161  -3.561  -3.561
  190   1HB   SER  22          1HB       SER  22  -1.071  -5.061  -5.061
  191   2HB   SER  22          2HB       SER  22  -1.954  -4.003  -4.003
  192    HG   SER  22           HG       SER  22   0.118  -3.481  -3.481
  193    H    LYS  23           H        LYS  23  -0.582  -2.729  -2.729
  194    HA   LYS  23           HA       LYS  23  -0.744  -3.299  -3.299
  195   1HB   LYS  23          1HB       LYS  23  -2.853  -5.206  -5.206
  196   2HB   LYS  23          2HB       LYS  23  -2.214  -5.596  -5.596
  197   1HG   LYS  23          1HG       LYS  23  -2.888  -3.278  -3.278
  198   2HG   LYS  23          2HG       LYS  23  -3.475  -2.866  -2.866
  199   1HD   LYS  23          1HD       LYS  23  -4.831  -5.293  -5.293
  200   2HD   LYS  23          2HD       LYS  23  -4.736  -4.390  -4.390
  201   1HE   LYS  23          1HE       LYS  23  -5.773  -2.375  -2.375
  202   2HE   LYS  23          2HE       LYS  23  -5.663  -3.042  -3.042
  203   1HZ   LYS  23          1HZ       LYS  23  -6.977  -4.979  -4.979
  204   2HZ   LYS  23          2HZ       LYS  23  -7.628  -3.535  -3.535
  205   3HZ   LYS  23          3HZ       LYS  23  -7.660  -3.885  -3.885
  206    H    GLU  24           H        GLU  24   0.420  -5.340  -5.340
  207    HA   GLU  24           HA       GLU  24   1.432  -7.593  -7.593
  208   1HB   GLU  24          1HB       GLU  24   3.701  -7.091  -7.091
  209   2HB   GLU  24          2HB       GLU  24   2.235  -7.424  -7.424
  210   1HG   GLU  24          1HG       GLU  24   3.286  -4.552  -4.552
  211   2HG   GLU  24          2HG       GLU  24   3.722  -5.509  -5.509
  212    H    LYS  25           H        LYS  25   3.465  -8.198  -8.198
  213    HA   LYS  25           HA       LYS  25   4.405  -6.204  -6.204
  214   1HB   LYS  25          1HB       LYS  25   3.432  -9.091  -9.091
  215   2HB   LYS  25          2HB       LYS  25   4.087  -7.991  -7.991
  216   1HG   LYS  25          1HG       LYS  25   1.967  -7.135  -7.135
  217   2HG   LYS  25          2HG       LYS  25   1.938  -6.540  -6.540
  218   1HD   LYS  25          1HD       LYS  25   0.025  -7.893  -7.893
  219   2HD   LYS  25          2HD       LYS  25   1.202  -9.078  -9.078
  220   1HE   LYS  25          1HE       LYS  25   1.692  -9.596  -9.596
  221   2HE   LYS  25          2HE       LYS  25   0.157  -8.775  -8.775
  222   1HZ   LYS  25          1HZ       LYS  25   0.136 -10.728 -10.728
  223   2HZ   LYS  25          2HZ       LYS  25   0.305 -11.334 -11.334
  224   3HZ   LYS  25          3HZ       LYS  25  -1.029 -10.388 -10.388
  225    HA   PRO  26           HA       PRO  26   5.689  -6.690  -6.690
  226   1HB   PRO  26          1HB       PRO  26   8.058  -5.325  -5.325
  227   2HB   PRO  26          2HB       PRO  26   7.870  -7.146  -7.146
  228   1HG   PRO  26          1HG       PRO  26   8.755  -6.071  -6.071
  229   2HG   PRO  26          2HG       PRO  26   9.719  -7.041  -7.041
  230   1HD   PRO  26          1HD       PRO  26   8.355  -8.117  -8.117
  231   2HD   PRO  26          2HD       PRO  26   8.094  -8.846  -8.846
  232    H    LYS  27           H        LYS  27   7.466  -5.246  -5.246
  233    HA   LYS  27           HA       LYS  27   5.787  -2.729  -2.729
  234   1HB   LYS  27          1HB       LYS  27   8.015  -2.637  -2.637
  235   2HB   LYS  27          2HB       LYS  27   7.553  -1.443  -1.443
  236   1HG   LYS  27          1HG       LYS  27   8.567  -3.648  -3.648
  237   2HG   LYS  27          2HG       LYS  27   9.623  -3.593  -3.593
  238   1HD   LYS  27          1HD       LYS  27  10.672  -2.208  -2.208
  239   2HD   LYS  27          2HD       LYS  27   9.890  -1.033  -1.033
  240   1HE   LYS  27          1HE       LYS  27   9.219  -0.310  -0.310
  241   2HE   LYS  27          2HE       LYS  27   7.790  -1.147  -1.147
  242   1HZ   LYS  27          1HZ       LYS  27   8.974  -3.219  -3.219
  243   2HZ   LYS  27          2HZ       LYS  27   9.715  -2.052  -2.052
  244   3HZ   LYS  27          3HZ       LYS  27   8.038  -2.176  -2.176
  245    H    CYS  28           H        CYS  28   4.370  -2.077  -2.077
  246    HA   CYS  28           HA       CYS  28   3.509  -3.751  -3.751
  247   1HB   CYS  28          1HB       CYS  28   2.778  -1.448  -1.448
  248   2HB   CYS  28          2HB       CYS  28   2.029  -1.970  -1.970
  249    H    ALA  29           H        ALA  29   3.528  -2.715  -2.715
  250    HA   ALA  29           HA       ALA  29   6.221  -3.050  -3.050
  251   1HB   ALA  29          1HB       ALA  29   4.047  -3.267  -3.267
  252   2HB   ALA  29          2HB       ALA  29   3.734  -1.527  -1.527
  253   3HB   ALA  29          3HB       ALA  29   5.118  -2.078  -2.078
  254    H    LYS  30           H        LYS  30   4.288  -0.255  -0.255
  255    HA   LYS  30           HA       LYS  30   5.967   1.912   1.912
  256   1HB   LYS  30          1HB       LYS  30   3.751   1.416   1.416
  257   2HB   LYS  30          2HB       LYS  30   4.979   2.029   2.029
  258   1HG   LYS  30          1HG       LYS  30   3.241   3.687   3.687
  259   2HG   LYS  30          2HG       LYS  30   4.861   4.208   4.208
  260   1HD   LYS  30          1HD       LYS  30   4.384   2.945   2.945
  261   2HD   LYS  30          2HD       LYS  30   3.796   4.590   4.590
  262   1HE   LYS  30          1HE       LYS  30   6.308   4.932   4.932
  263   2HE   LYS  30          2HE       LYS  30   6.703   3.591   3.591
  264   1HZ   LYS  30          1HZ       LYS  30   5.015   5.413   5.413
  265   2HZ   LYS  30          2HZ       LYS  30   6.313   6.248   6.248
  266   3HZ   LYS  30          3HZ       LYS  30   6.590   4.949   4.949
  267    H    CYS  31           H        CYS  31   6.014   0.666   0.666
  268    HA   CYS  31           HA       CYS  31   8.370   2.252   2.252
  269   1HB   CYS  31          1HB       CYS  31   7.304  -0.231  -0.231
  270   2HB   CYS  31          2HB       CYS  31   8.353   1.007   1.007
  271    H    LEU  32           H        LEU  32   8.033  -1.066  -1.066
  272    HA   LEU  32           HA       LEU  32  10.868  -1.756  -1.756
  273   1HB   LEU  32          1HB       LEU  32   8.951  -3.439  -3.439
  274   2HB   LEU  32          2HB       LEU  32   8.946  -2.896  -2.896
  275    HG   LEU  32           HG       LEU  32  10.132  -5.142  -5.142
  276   1HD1  LEU  32          1HD1      LEU  32  10.188  -4.082  -4.082
  277   2HD1  LEU  32          2HD1      LEU  32  11.576  -3.075  -3.075
  278   3HD1  LEU  32          3HD1      LEU  32  11.743  -4.844  -4.844
  279   1HD2  LEU  32          1HD2      LEU  32  12.394  -3.163  -3.163
  280   2HD2  LEU  32          2HD2      LEU  32  11.620  -4.362  -4.362
  281   3HD2  LEU  32          3HD2      LEU  32  12.618  -4.911  -4.911
  282    H    LYS  33           H        LYS  33   9.198  -0.140  -0.140
  283    HA   LYS  33           HA       LYS  33  11.497  -0.374  -0.374
  284   1HB   LYS  33          1HB       LYS  33   8.925   1.365   1.365
  285   2HB   LYS  33          2HB       LYS  33  10.146   1.529   1.529
  286   1HG   LYS  33          1HG       LYS  33   9.273  -1.335  -1.335
  287   2HG   LYS  33          2HG       LYS  33   7.974  -0.271  -0.271
  288   1HD   LYS  33          1HD       LYS  33   9.261   0.266   0.266
  289   2HD   LYS  33          2HD       LYS  33  10.689  -0.585  -0.585
  290   1HE   LYS  33          1HE       LYS  33   9.268  -2.742  -2.742
  291   2HE   LYS  33          2HE       LYS  33   7.937  -1.895  -1.895
  292   1HZ   LYS  33          1HZ       LYS  33   9.724  -1.318  -1.318
  293   2HZ   LYS  33          2HZ       LYS  33  10.579  -2.606  -2.606
  294   3HZ   LYS  33          3HZ       LYS  33   9.048  -2.858  -2.858
  295    H    ASN  34           H        ASN  34  10.504   1.755   1.755
  296    HA   ASN  34           HA       ASN  34  12.748   3.678   3.678
  297   1HB   ASN  34          1HB       ASN  34   9.990   4.072   4.072
  298   2HB   ASN  34          2HB       ASN  34  11.240   5.251   5.251
  299   1HD2  ASN  34          1HD2      ASN  34   9.151   5.496   5.496
  300   2HD2  ASN  34          2HD2      ASN  34   8.729   4.326   4.326
  301    H    ASN  35           H        ASN  35  12.467   1.193   1.193
  302    HA   ASN  35           HA       ASN  35  13.040   0.698   0.698
  303   1HB   ASN  35          1HB       ASN  35  15.322   1.087   1.087
  304   2HB   ASN  35          2HB       ASN  35  15.082   2.816   2.816
  305   1HD2  ASN  35          1HD2      ASN  35  15.413   2.078   2.078
  306   2HD2  ASN  35          2HD2      ASN  35  14.039   1.275   1.275
  307    H    TRP  36           H        TRP  36  11.108   1.330   1.330
  308    HA   TRP  36           HA       TRP  36  11.250   3.952   3.952
  309   1HB   TRP  36          1HB       TRP  36   8.914   2.757   2.757
  310   2HB   TRP  36          2HB       TRP  36   8.617   3.937   3.937
  311    HD1  TRP  36           HD1      TRP  36  11.565   5.524   5.524
  312    HE1  TRP  36           HE1      TRP  36  11.342   7.332   7.332
  313    HE3  TRP  36           HE3      TRP  36   7.203   3.742   3.742
  314    HZ2  TRP  36           HZ2      TRP  36   9.349   7.791   7.791
  315    HZ3  TRP  36           HZ3      TRP  36   6.265   4.797   4.797
  316    HH2  TRP  36           HH2      TRP  36   7.270   6.839   6.839
  317    H    GLU  37           H        GLU  37   9.421   3.940   3.940
  318    HA   GLU  37           HA       GLU  37   9.790   1.281   1.281
  319   1HB   GLU  37          1HB       GLU  37  10.590   3.745   3.745
  320   2HB   GLU  37          2HB       GLU  37   8.924   3.914   3.914
  321   1HG   GLU  37          1HG       GLU  37  10.493   3.171   3.171
  322   2HG   GLU  37          2HG       GLU  37   9.123   2.108   2.108
  323    H    CYS  38           H        CYS  38   8.009   1.004   1.004
  324    HA   CYS  38           HA       CYS  38   5.318   1.490   1.490
  325   1HB   CYS  38          1HB       CYS  38   6.497  -0.319  -0.319
  326   2HB   CYS  38          2HB       CYS  38   6.454  -1.413  -1.413
  327    H    ARG  39           H        ARG  39   4.605   2.207   2.207
  328    HA   ARG  39           HA       ARG  39   4.596   0.250   0.250
  329   1HB   ARG  39          1HB       ARG  39   4.608   3.217   3.217
  330   2HB   ARG  39          2HB       ARG  39   3.321   2.702   2.702
  331   1HG   ARG  39          1HG       ARG  39   6.159   1.536   1.536
  332   2HG   ARG  39          2HG       ARG  39   5.832   3.182   3.182
  333   1HD   ARG  39          1HD       ARG  39   3.648   1.846   1.846
  334   2HD   ARG  39          2HD       ARG  39   4.873   0.551   0.551
  335    HE   ARG  39           HE       ARG  39   4.862   2.943   2.943
  336   1HH1  ARG  39          1HH1      ARG  39   7.106   0.899   0.899
  337   2HH1  ARG  39          2HH1      ARG  39   8.478   1.312   1.312
  338   1HH2  ARG  39          1HH2      ARG  39   6.392   3.340   3.340
  339   2HH2  ARG  39          2HH2      ARG  39   8.096   2.637   2.637
  340    H    TYR  40           H        TYR  40   3.131  -1.088  -1.088
  341    HA   TYR  40           HA       TYR  40   0.412  -0.466  -0.466
  342   1HB   TYR  40          1HB       TYR  40   1.964  -3.122  -3.122
  343   2HB   TYR  40          2HB       TYR  40   0.254  -3.151  -3.151
  344    HD1  TYR  40           HD1      TYR  40  -0.124  -1.135  -1.135
  345    HD2  TYR  40           HD2      TYR  40   3.023  -4.005  -4.005
  346    HE1  TYR  40           HE1      TYR  40   0.135  -1.364  -1.364
  347    HE2  TYR  40           HE2      TYR  40   3.159  -4.342  -4.342
  348    HH   TYR  40           HH       TYR  40   1.568  -2.035  -2.035
  349    H    SER  41           H        SER  41   1.967  -1.002  -1.002
  350    HA   SER  41           HA       SER  41   1.027  -1.220  -1.220
  351   1HB   SER  41          1HB       SER  41  -1.096  -0.445  -0.445
  352   2HB   SER  41          2HB       SER  41  -1.458  -0.763  -0.763
  353    HG   SER  41           HG       SER  41  -2.736  -2.225  -2.225
  354    HA   PRO  42           HA       PRO  42   1.653  -5.379  -5.379
  355   1HB   PRO  42          1HB       PRO  42  -0.787  -5.276  -5.276
  356   2HB   PRO  42          2HB       PRO  42   0.987  -5.812  -5.812
  357   1HG   PRO  42          1HG       PRO  42  -0.020  -3.282  -3.282
  358   2HG   PRO  42          2HG       PRO  42   1.719  -3.637  -3.637
  359   1HD   PRO  42          1HD       PRO  42  -0.946  -2.670  -2.670
  360   2HD   PRO  42          2HD       PRO  42   0.723  -1.894  -1.894
  361    H    LYS  43           H        LYS  43  -1.675  -5.914  -5.914
  362    HA   LYS  43           HA       LYS  43  -2.237  -7.512  -7.512
  363   1HB   LYS  43          1HB       LYS  43  -0.922  -8.852  -8.852
  364   2HB   LYS  43          2HB       LYS  43  -2.185  -9.748  -9.748
  365   1HG   LYS  43          1HG       LYS  43  -0.839  -9.312  -9.312
  366   2HG   LYS  43          2HG       LYS  43   0.463  -8.696  -8.696
  367   1HD   LYS  43          1HD       LYS  43   0.229 -11.081 -11.081
  368   2HD   LYS  43          2HD       LYS  43  -0.660 -11.536 -11.536
  369   1HE   LYS  43          1HE       LYS  43   1.746 -12.052 -12.052
  370   2HE   LYS  43          2HE       LYS  43   1.302 -10.713 -10.713
  371   1HZ   LYS  43          1HZ       LYS  43   2.215  -9.990  -9.990
  372   2HZ   LYS  43          2HZ       LYS  43   3.368 -10.593 -10.593
  373   3HZ   LYS  43          3HZ       LYS  43   2.477  -9.226  -9.226

  Start of MODEL   24
    1   1H    MET   1          1H        MET   1 -29.206   5.106   5.106
    2   2H    MET   1          2H        MET   1 -29.579   6.195   6.195
    3   3H    MET   1          3H        MET   1 -28.804   6.730   6.730
    4    HA   MET   1           HA       MET   1 -27.245   6.624   6.624
    5   1HB   MET   1          1HB       MET   1 -28.151   3.659   3.659
    6   2HB   MET   1          2HB       MET   1 -26.735   4.284   4.284
    7   1HG   MET   1          1HG       MET   1 -28.009   5.476   5.476
    8   2HG   MET   1          2HG       MET   1 -29.432   5.591   5.591
    9   1HE   MET   1          1HE       MET   1 -26.870   3.057   3.057
   10   2HE   MET   1          2HE       MET   1 -27.790   1.644   1.644
   11   3HE   MET   1          3HE       MET   1 -27.638   1.931   1.931
   12    H    LYS   2           H        LYS   2 -25.488   6.932   6.932
   13    HA   LYS   2           HA       LYS   2 -24.721   4.987   4.987
   14   1HB   LYS   2          1HB       LYS   2 -24.153   7.971   7.971
   15   2HB   LYS   2          2HB       LYS   2 -23.033   7.043   7.043
   16   1HG   LYS   2          1HG       LYS   2 -26.076   7.354   7.354
   17   2HG   LYS   2          2HG       LYS   2 -24.793   8.230   8.230
   18   1HD   LYS   2          1HD       LYS   2 -24.234   6.346   6.346
   19   2HD   LYS   2          2HD       LYS   2 -24.680   5.187   5.187
   20   1HE   LYS   2          1HE       LYS   2 -27.053   6.803   6.803
   21   2HE   LYS   2          2HE       LYS   2 -26.349   6.015   6.015
   22   1HZ   LYS   2          1HZ       LYS   2 -26.489   4.347   4.347
   23   2HZ   LYS   2          2HZ       LYS   2 -27.971   4.792   4.792
   24   3HZ   LYS   2          3HZ       LYS   2 -26.838   3.984   3.984
   25    H    LEU   3           H        LEU   3 -23.614   6.679   6.679
   26    HA   LEU   3           HA       LEU   3 -20.899   5.464   5.464
   27   1HB   LEU   3          1HB       LEU   3 -22.123   7.548   7.548
   28   2HB   LEU   3          2HB       LEU   3 -21.976   6.300   6.300
   29    HG   LEU   3           HG       LEU   3 -19.532   7.080   7.080
   30   1HD1  LEU   3          1HD1      LEU   3 -20.854   9.140   9.140
   31   2HD1  LEU   3          2HD1      LEU   3 -20.151   8.534   8.534
   32   3HD1  LEU   3          3HD1      LEU   3 -19.086   9.025   9.025
   33   1HD2  LEU   3          1HD2      LEU   3 -19.752   5.112   5.112
   34   2HD2  LEU   3          2HD2      LEU   3 -18.261   6.034   6.034
   35   3HD2  LEU   3          3HD2      LEU   3 -19.388   6.468   6.468
   36    H    LEU   4           H        LEU   4 -20.717   3.428   3.428
   37    HA   LEU   4           HA       LEU   4 -21.250   1.979   1.979
   38   1HB   LEU   4          1HB       LEU   4 -23.205   1.771   1.771
   39   2HB   LEU   4          2HB       LEU   4 -22.264   0.299   0.299
   40    HG   LEU   4           HG       LEU   4 -23.386   1.117   1.117
   41   1HD1  LEU   4          1HD1      LEU   4 -25.244   1.265   1.265
   42   2HD1  LEU   4          2HD1      LEU   4 -25.013  -0.482  -0.482
   43   3HD1  LEU   4          3HD1      LEU   4 -25.554   0.108   0.108
   44   1HD2  LEU   4          1HD2      LEU   4 -21.816  -0.912  -0.912
   45   2HD2  LEU   4          2HD2      LEU   4 -23.434  -1.316  -1.316
   46   3HD2  LEU   4          3HD2      LEU   4 -23.028  -1.690  -1.690
   47    H    SER   5           H        SER   5 -19.847   0.535   0.535
   48    HA   SER   5           HA       SER   5 -17.752  -0.568  -0.568
   49   1HB   SER   5          1HB       SER   5 -18.198  -0.748  -0.748
   50   2HB   SER   5          2HB       SER   5 -17.273  -1.854  -1.854
   51    HG   SER   5           HG       SER   5 -19.075  -2.830  -2.830
   52    H    SER   6           H        SER   6 -15.613  -0.321  -0.321
   53    HA   SER   6           HA       SER   6 -14.700   1.976   1.976
   54   1HB   SER   6          1HB       SER   6 -15.988   2.932   2.932
   55   2HB   SER   6          2HB       SER   6 -14.416   2.676   2.676
   56    HG   SER   6           HG       SER   6 -15.053   4.282   4.282
   57    H    ILE   7           H        ILE   7 -13.146   0.825   0.825
   58    HA   ILE   7           HA       ILE   7 -10.661   0.690   0.690
   59    HB   ILE   7           HB       ILE   7 -11.240  -0.795  -0.795
   60   1HG1  ILE   7          1HG1      ILE   7 -10.559  -3.175  -3.175
   61   2HG1  ILE   7          2HG1      ILE   7  -9.440  -1.837  -1.837
   62   1HG2  ILE   7          1HG2      ILE   7 -13.370  -1.835  -1.835
   63   2HG2  ILE   7          2HG2      ILE   7 -12.548  -3.160  -3.160
   64   3HG2  ILE   7          3HG2      ILE   7 -13.303  -1.888  -1.888
   65   1HD1  ILE   7          1HD1      ILE   7  -9.840  -2.128  -2.128
   66   2HD1  ILE   7          2HD1      ILE   7  -9.602  -3.766  -3.766
   67   3HD1  ILE   7          3HD1      ILE   7  -8.380  -2.498  -2.498
   68    H    GLU   8           H        GLU   8 -10.326   1.345   1.345
   69    HA   GLU   8           HA       GLU   8  -9.941  -1.123  -1.123
   70   1HB   GLU   8          1HB       GLU   8 -10.078   1.910   1.910
   71   2HB   GLU   8          2HB       GLU   8  -9.569   0.726   0.726
   72   1HG   GLU   8          1HG       GLU   8 -12.199  -0.086  -0.086
   73   2HG   GLU   8          2HG       GLU   8 -12.283   1.590   1.590
   74    H    GLN   9           H        GLN   9  -8.234  -1.974  -1.974
   75    HA   GLN   9           HA       GLN   9  -5.859  -0.739  -0.739
   76   1HB   GLN   9          1HB       GLN   9  -6.711  -3.337  -3.337
   77   2HB   GLN   9          2HB       GLN   9  -5.425  -3.103  -3.103
   78   1HG   GLN   9          1HG       GLN   9  -3.729  -2.768  -2.768
   79   2HG   GLN   9          2HG       GLN   9  -4.950  -2.607  -2.607
   80   1HE2  GLN   9          1HE2      GLN   9  -3.626  -6.320  -6.320
   81   2HE2  GLN   9          2HE2      GLN   9  -3.370  -4.882  -4.882
   82    H    ALA  10           H        ALA  10  -3.989  -0.067  -0.067
   83    HA   ALA  10           HA       ALA  10  -2.958  -0.423  -0.423
   84   1HB   ALA  10          1HB       ALA  10  -4.895   0.959   0.959
   85   2HB   ALA  10          2HB       ALA  10  -4.434   2.297   2.297
   86   3HB   ALA  10          3HB       ALA  10  -3.384   1.843   1.843
   87    H    CYS  11           H        CYS  11  -0.894   0.566   0.566
   88    HA   CYS  11           HA       CYS  11   0.323   0.931   0.931
   89   1HB   CYS  11          1HB       CYS  11   2.431   0.771   0.771
   90   2HB   CYS  11          2HB       CYS  11   1.335  -0.320  -0.320
   91    H    ASP  12           H        ASP  12   2.103   2.581   2.581
   92    HA   ASP  12           HA       ASP  12   0.642   5.112   5.112
   93   1HB   ASP  12          1HB       ASP  12   2.244   4.869   4.869
   94   2HB   ASP  12          2HB       ASP  12   3.390   4.044   4.044
   95    H    ILE  13           H        ILE  13   2.985   3.945   3.945
   96    HA   ILE  13           HA       ILE  13   3.676   6.662   6.662
   97    HB   ILE  13           HB       ILE  13   4.259   3.806   3.806
   98   1HG1  ILE  13          1HG1      ILE  13   5.908   4.508   4.508
   99   2HG1  ILE  13          2HG1      ILE  13   6.691   4.696   4.696
  100   1HG2  ILE  13          1HG2      ILE  13   3.766   5.209   5.209
  101   2HG2  ILE  13          2HG2      ILE  13   5.186   6.197   6.197
  102   3HG2  ILE  13          3HG2      ILE  13   5.342   4.463   4.463
  103   1HD1  ILE  13          1HD1      ILE  13   5.645   7.261   7.261
  104   2HD1  ILE  13          2HD1      ILE  13   6.053   6.858   6.858
  105   3HD1  ILE  13          3HD1      ILE  13   7.298   6.766   6.766
  106    H    CYS  14           H        CYS  14   1.281   4.335   4.335
  107    HA   CYS  14           HA       CYS  14   0.543   5.772   5.772
  108   1HB   CYS  14          1HB       CYS  14  -0.623   3.375   3.375
  109   2HB   CYS  14          2HB       CYS  14  -1.570   4.149   4.149
  110    H    ARG  15           H        ARG  15  -0.630   5.634   5.634
  111    HA   ARG  15           HA       ARG  15  -2.793   7.469   7.469
  112   1HB   ARG  15          1HB       ARG  15  -2.750   7.619   7.619
  113   2HB   ARG  15          2HB       ARG  15  -1.710   6.223   6.223
  114   1HG   ARG  15          1HG       ARG  15   0.264   8.194   8.194
  115   2HG   ARG  15          2HG       ARG  15  -0.998   9.061   9.061
  116   1HD   ARG  15          1HD       ARG  15  -1.208   6.766   6.766
  117   2HD   ARG  15          2HD       ARG  15   0.416   6.443   6.443
  118    HE   ARG  15           HE       ARG  15   0.952   8.891   8.891
  119   1HH1  ARG  15          1HH1      ARG  15  -1.213   6.687   6.687
  120   2HH1  ARG  15          2HH1      ARG  15  -0.891   7.433   7.433
  121   1HH2  ARG  15          1HH2      ARG  15   1.265   9.635   9.635
  122   2HH2  ARG  15          2HH2      ARG  15   0.459   9.034   9.034
  123    H    LEU  16           H        LEU  16   0.608   8.347   8.347
  124    HA   LEU  16           HA       LEU  16  -0.086  11.237  11.237
  125   1HB   LEU  16          1HB       LEU  16   2.570   9.668   9.668
  126   2HB   LEU  16          2HB       LEU  16   2.550  11.419  11.419
  127    HG   LEU  16           HG       LEU  16   2.461  11.532  11.532
  128   1HD1  LEU  16          1HD1      LEU  16  -0.041  11.572  11.572
  129   2HD1  LEU  16          2HD1      LEU  16  -0.103   9.798   9.798
  130   3HD1  LEU  16          3HD1      LEU  16   0.442  10.788  10.788
  131   1HD2  LEU  16          1HD2      LEU  16   2.219   8.442   8.442
  132   2HD2  LEU  16          2HD2      LEU  16   3.720   9.396   9.396
  133   3HD2  LEU  16          3HD2      LEU  16   2.576   9.437   9.437
  134    H    LYS  17           H        LYS  17   1.355   8.959   8.959
  135    HA   LYS  17           HA       LYS  17   2.136  11.114  11.114
  136   1HB   LYS  17          1HB       LYS  17   2.787   8.323   8.323
  137   2HB   LYS  17          2HB       LYS  17   1.990   8.314   8.314
  138   1HG   LYS  17          1HG       LYS  17   4.451   8.515   8.515
  139   2HG   LYS  17          2HG       LYS  17   3.670   9.975   9.975
  140   1HD   LYS  17          1HD       LYS  17   4.459  11.245  11.245
  141   2HD   LYS  17          2HD       LYS  17   4.920   9.764   9.764
  142   1HE   LYS  17          1HE       LYS  17   6.326   9.408   9.408
  143   2HE   LYS  17          2HE       LYS  17   6.381  11.172  11.172
  144   1HZ   LYS  17          1HZ       LYS  17   7.005   9.457   9.457
  145   2HZ   LYS  17          2HZ       LYS  17   8.167   9.832   9.832
  146   3HZ   LYS  17          3HZ       LYS  17   7.429  11.062  11.062
  147    H    LYS  18           H        LYS  18  -0.625   9.261   9.261
  148    HA   LYS  18           HA       LYS  18  -2.646   8.928   8.928
  149   1HB   LYS  18          1HB       LYS  18  -1.778  11.505  11.505
  150   2HB   LYS  18          2HB       LYS  18  -3.340  10.713  10.713
  151   1HG   LYS  18          1HG       LYS  18  -3.594  10.958  10.958
  152   2HG   LYS  18          2HG       LYS  18  -2.152  11.970  11.970
  153   1HD   LYS  18          1HD       LYS  18  -3.345  13.711  13.711
  154   2HD   LYS  18          2HD       LYS  18  -4.646  12.604  12.604
  155   1HE   LYS  18          1HE       LYS  18  -4.035  13.369  13.369
  156   2HE   LYS  18          2HE       LYS  18  -5.324  14.099  14.099
  157   1HZ   LYS  18          1HZ       LYS  18  -6.122  11.752  11.752
  158   2HZ   LYS  18          2HZ       LYS  18  -5.064  11.256  11.256
  159   3HZ   LYS  18          3HZ       LYS  18  -6.304  12.336  12.336
  160    H    LEU  19           H        LEU  19  -1.649   7.079   7.079
  161    HA   LEU  19           HA       LEU  19  -0.982   6.829   6.829
  162   1HB   LEU  19          1HB       LEU  19   0.572   5.876   5.876
  163   2HB   LEU  19          2HB       LEU  19   0.515   4.774   4.774
  164    HG   LEU  19           HG       LEU  19   1.945   6.074   6.074
  165   1HD1  LEU  19          1HD1      LEU  19   1.125   8.555   8.555
  166   2HD1  LEU  19          2HD1      LEU  19   2.440   8.555   8.555
  167   3HD1  LEU  19          3HD1      LEU  19   0.776   8.223   8.223
  168   1HD2  LEU  19          1HD2      LEU  19   2.843   5.458   5.458
  169   2HD2  LEU  19          2HD2      LEU  19   3.887   6.157   6.157
  170   3HD2  LEU  19          3HD2      LEU  19   3.160   7.211   7.211
  171    H    LYS  20           H        LYS  20  -0.980   4.556   4.556
  172    HA   LYS  20           HA       LYS  20  -3.387   3.127   3.127
  173   1HB   LYS  20          1HB       LYS  20  -1.680   2.887   2.887
  174   2HB   LYS  20          2HB       LYS  20  -2.410   1.394   1.394
  175   1HG   LYS  20          1HG       LYS  20  -4.576   3.261   3.261
  176   2HG   LYS  20          2HG       LYS  20  -3.688   3.784   3.784
  177   1HD   LYS  20          1HD       LYS  20  -5.417   2.223   2.223
  178   2HD   LYS  20          2HD       LYS  20  -3.877   1.360   1.360
  179   1HE   LYS  20          1HE       LYS  20  -4.273  -0.077  -0.077
  180   2HE   LYS  20          2HE       LYS  20  -5.181   1.135   1.135
  181   1HZ   LYS  20          1HZ       LYS  20  -6.196  -0.197  -0.197
  182   2HZ   LYS  20          2HZ       LYS  20  -6.587  -0.640  -0.640
  183   3HZ   LYS  20          3HZ       LYS  20  -7.046   0.867   0.867
  184    H    CYS  21           H        CYS  21  -3.399   1.132   1.132
  185    HA   CYS  21           HA       CYS  21  -0.630   0.254   0.254
  186   1HB   CYS  21          1HB       CYS  21  -2.115   1.739   1.739
  187   2HB   CYS  21          2HB       CYS  21  -3.127   0.301   0.301
  188    H    SER  22           H        SER  22  -1.067  -1.216  -1.216
  189    HA   SER  22           HA       SER  22  -2.571  -3.579  -3.579
  190   1HB   SER  22          1HB       SER  22  -0.307  -4.818  -4.818
  191   2HB   SER  22          2HB       SER  22  -0.974  -3.627  -3.627
  192    HG   SER  22           HG       SER  22   1.288  -3.384  -3.384
  193    H    LYS  23           H        LYS  23  -0.530  -2.520  -2.520
  194    HA   LYS  23           HA       LYS  23  -0.885  -3.257  -3.257
  195   1HB   LYS  23          1HB       LYS  23  -2.031  -5.825  -5.825
  196   2HB   LYS  23          2HB       LYS  23  -1.860  -5.617  -5.617
  197   1HG   LYS  23          1HG       LYS  23  -3.220  -3.244  -3.244
  198   2HG   LYS  23          2HG       LYS  23  -3.850  -4.377  -4.377
  199   1HD   LYS  23          1HD       LYS  23  -5.017  -5.588  -5.588
  200   2HD   LYS  23          2HD       LYS  23  -3.780  -5.320  -5.320
  201   1HE   LYS  23          1HE       LYS  23  -4.590  -2.680  -2.680
  202   2HE   LYS  23          2HE       LYS  23  -6.114  -3.523  -3.523
  203   1HZ   LYS  23          1HZ       LYS  23  -5.673  -4.784  -4.784
  204   2HZ   LYS  23          2HZ       LYS  23  -4.459  -3.668  -3.668
  205   3HZ   LYS  23          3HZ       LYS  23  -6.053  -3.152  -3.152
  206    H    GLU  24           H        GLU  24   0.549  -5.488  -5.488
  207    HA   GLU  24           HA       GLU  24   1.516  -7.593  -7.593
  208   1HB   GLU  24          1HB       GLU  24   3.843  -7.219  -7.219
  209   2HB   GLU  24          2HB       GLU  24   2.369  -7.499  -7.499
  210   1HG   GLU  24          1HG       GLU  24   2.193  -4.873  -4.873
  211   2HG   GLU  24          2HG       GLU  24   3.807  -4.779  -4.779
  212    H    LYS  25           H        LYS  25   3.301  -8.377  -8.377
  213    HA   LYS  25           HA       LYS  25   4.029  -6.501  -6.501
  214   1HB   LYS  25          1HB       LYS  25   2.962  -9.409  -9.409
  215   2HB   LYS  25          2HB       LYS  25   3.630  -8.537  -8.537
  216   1HG   LYS  25          1HG       LYS  25   1.783  -6.725  -6.725
  217   2HG   LYS  25          2HG       LYS  25   1.097  -7.773  -7.773
  218   1HD   LYS  25          1HD       LYS  25   1.414  -9.411  -9.411
  219   2HD   LYS  25          2HD       LYS  25   0.867  -7.833  -7.833
  220   1HE   LYS  25          1HE       LYS  25  -1.265  -8.142  -8.142
  221   2HE   LYS  25          2HE       LYS  25  -0.652  -8.498  -8.498
  222   1HZ   LYS  25          1HZ       LYS  25   0.039 -10.742 -10.742
  223   2HZ   LYS  25          2HZ       LYS  25  -1.295 -10.337 -10.337
  224   3HZ   LYS  25          3HZ       LYS  25  -1.463 -10.517 -10.517
  225    HA   PRO  26           HA       PRO  26   5.055  -6.756  -6.756
  226   1HB   PRO  26          1HB       PRO  26   7.346  -5.344  -5.344
  227   2HB   PRO  26          2HB       PRO  26   7.110  -7.145  -7.145
  228   1HG   PRO  26          1HG       PRO  26   8.368  -6.162  -6.162
  229   2HG   PRO  26          2HG       PRO  26   9.144  -7.074  -7.074
  230   1HD   PRO  26          1HD       PRO  26   8.098  -8.217  -8.217
  231   2HD   PRO  26          2HD       PRO  26   7.645  -8.931  -8.931
  232    H    LYS  27           H        LYS  27   7.166  -5.410  -5.410
  233    HA   LYS  27           HA       LYS  27   5.525  -2.824  -2.824
  234   1HB   LYS  27          1HB       LYS  27   7.991  -2.768  -2.768
  235   2HB   LYS  27          2HB       LYS  27   7.464  -1.637  -1.637
  236   1HG   LYS  27          1HG       LYS  27   8.207  -3.515  -3.515
  237   2HG   LYS  27          2HG       LYS  27   9.017  -4.279  -4.279
  238   1HD   LYS  27          1HD       LYS  27  10.797  -2.983  -2.983
  239   2HD   LYS  27          2HD       LYS  27   9.966  -1.645  -1.645
  240   1HE   LYS  27          1HE       LYS  27  10.283  -0.760  -0.760
  241   2HE   LYS  27          2HE       LYS  27   8.606  -1.325  -1.325
  242   1HZ   LYS  27          1HZ       LYS  27  10.325  -3.486  -3.486
  243   2HZ   LYS  27          2HZ       LYS  27  10.715  -2.178  -2.178
  244   3HZ   LYS  27          3HZ       LYS  27   9.142  -2.770  -2.770
  245    H    CYS  28           H        CYS  28   4.393  -2.105  -2.105
  246    HA   CYS  28           HA       CYS  28   3.601  -3.876  -3.876
  247   1HB   CYS  28          1HB       CYS  28   2.946  -1.593  -1.593
  248   2HB   CYS  28          2HB       CYS  28   2.106  -2.087  -2.087
  249    H    ALA  29           H        ALA  29   3.741  -3.115  -3.115
  250    HA   ALA  29           HA       ALA  29   6.488  -3.484  -3.484
  251   1HB   ALA  29          1HB       ALA  29   4.371  -3.841  -3.841
  252   2HB   ALA  29          2HB       ALA  29   4.038  -2.094  -2.094
  253   3HB   ALA  29          3HB       ALA  29   5.467  -2.711  -2.711
  254    H    LYS  30           H        LYS  30   4.481  -0.678  -0.678
  255    HA   LYS  30           HA       LYS  30   6.182   1.427   1.427
  256   1HB   LYS  30          1HB       LYS  30   3.828   1.140   1.140
  257   2HB   LYS  30          2HB       LYS  30   4.944   1.866   1.866
  258   1HG   LYS  30          1HG       LYS  30   3.371   3.357   3.357
  259   2HG   LYS  30          2HG       LYS  30   4.913   3.941   3.941
  260   1HD   LYS  30          1HD       LYS  30   5.963   2.965   2.965
  261   2HD   LYS  30          2HD       LYS  30   4.304   2.666   2.666
  262   1HE   LYS  30          1HE       LYS  30   3.980   5.300   5.300
  263   2HE   LYS  30          2HE       LYS  30   5.710   5.357   5.357
  264   1HZ   LYS  30          1HZ       LYS  30   3.876   4.044   4.044
  265   2HZ   LYS  30          2HZ       LYS  30   3.998   5.721   5.721
  266   3HZ   LYS  30          3HZ       LYS  30   5.360   4.785   4.785
  267    H    CYS  31           H        CYS  31   6.046   0.515   0.515
  268    HA   CYS  31           HA       CYS  31   8.317   2.210   2.210
  269   1HB   CYS  31          1HB       CYS  31   7.345  -0.264  -0.264
  270   2HB   CYS  31          2HB       CYS  31   8.302   1.074   1.074
  271    H    LEU  32           H        LEU  32   8.176  -1.163  -1.163
  272    HA   LEU  32           HA       LEU  32  11.033  -1.686  -1.686
  273   1HB   LEU  32          1HB       LEU  32   9.201  -3.464  -3.464
  274   2HB   LEU  32          2HB       LEU  32   9.198  -2.947  -2.947
  275    HG   LEU  32           HG       LEU  32  10.735  -5.019  -5.019
  276   1HD1  LEU  32          1HD1      LEU  32   9.790  -4.962  -4.962
  277   2HD1  LEU  32          2HD1      LEU  32  10.991  -3.739  -3.739
  278   3HD1  LEU  32          3HD1      LEU  32  11.513  -5.378  -5.378
  279   1HD2  LEU  32          1HD2      LEU  32  12.608  -2.723  -2.723
  280   2HD2  LEU  32          2HD2      LEU  32  12.524  -3.451  -3.451
  281   3HD2  LEU  32          3HD2      LEU  32  13.116  -4.414  -4.414
  282    H    LYS  33           H        LYS  33   9.328  -0.226  -0.226
  283    HA   LYS  33           HA       LYS  33  11.669  -0.392  -0.392
  284   1HB   LYS  33          1HB       LYS  33   9.021   1.225   1.225
  285   2HB   LYS  33          2HB       LYS  33  10.242   1.382   1.382
  286   1HG   LYS  33          1HG       LYS  33   9.953  -1.397  -1.397
  287   2HG   LYS  33          2HG       LYS  33   8.356  -0.937  -0.937
  288   1HD   LYS  33          1HD       LYS  33   9.608   0.256   0.256
  289   2HD   LYS  33          2HD       LYS  33   8.752  -1.298  -1.298
  290   1HE   LYS  33          1HE       LYS  33   6.637  -0.334  -0.334
  291   2HE   LYS  33          2HE       LYS  33   7.359   1.091   1.091
  292   1HZ   LYS  33          1HZ       LYS  33   7.797   0.630   0.630
  293   2HZ   LYS  33          2HZ       LYS  33   6.345   1.283   1.283
  294   3HZ   LYS  33          3HZ       LYS  33   7.795   2.072   2.072
  295    H    ASN  34           H        ASN  34  10.502   1.768   1.768
  296    HA   ASN  34           HA       ASN  34  12.620   3.802   3.802
  297   1HB   ASN  34          1HB       ASN  34   9.859   4.048   4.048
  298   2HB   ASN  34          2HB       ASN  34  11.040   5.302   5.302
  299   1HD2  ASN  34          1HD2      ASN  34   8.940   5.388   5.388
  300   2HD2  ASN  34          2HD2      ASN  34   8.670   4.079   4.079
  301    H    ASN  35           H        ASN  35  12.490   1.346   1.346
  302    HA   ASN  35           HA       ASN  35  13.180   0.948   0.948
  303   1HB   ASN  35          1HB       ASN  35  15.427   1.413   1.413
  304   2HB   ASN  35          2HB       ASN  35  15.060   3.082   3.082
  305   1HD2  ASN  35          1HD2      ASN  35  15.519   2.937   2.937
  306   2HD2  ASN  35          2HD2      ASN  35  14.272   1.813   1.813
  307    H    TRP  36           H        TRP  36  11.193   1.480   1.480
  308    HA   TRP  36           HA       TRP  36  11.214   4.129   4.129
  309   1HB   TRP  36          1HB       TRP  36   8.980   2.762   2.762
  310   2HB   TRP  36          2HB       TRP  36   8.560   3.913   3.913
  311    HD1  TRP  36           HD1      TRP  36  11.456   5.672   5.672
  312    HE1  TRP  36           HE1      TRP  36  11.131   7.483   7.483
  313    HE3  TRP  36           HE3      TRP  36   7.157   3.708   3.708
  314    HZ2  TRP  36           HZ2      TRP  36   9.110   7.865   7.865
  315    HZ3  TRP  36           HZ3      TRP  36   6.163   4.734   4.734
  316    HH2  TRP  36           HH2      TRP  36   7.068   6.828   6.828
  317    H    GLU  37           H        GLU  37   9.376   4.107   4.107
  318    HA   GLU  37           HA       GLU  37   9.654   1.455   1.455
  319   1HB   GLU  37          1HB       GLU  37  10.571   3.170   3.170
  320   2HB   GLU  37          2HB       GLU  37   9.424   4.383   4.383
  321   1HG   GLU  37          1HG       GLU  37   7.830   3.804   3.804
  322   2HG   GLU  37          2HG       GLU  37   8.191   2.098   2.098
  323    H    CYS  38           H        CYS  38   8.056   0.722   0.722
  324    HA   CYS  38           HA       CYS  38   5.290   1.429   1.429
  325   1HB   CYS  38          1HB       CYS  38   6.389  -0.421  -0.421
  326   2HB   CYS  38          2HB       CYS  38   6.386  -1.482  -1.482
  327    H    ARG  39           H        ARG  39   4.640   2.208   2.208
  328    HA   ARG  39           HA       ARG  39   4.642   0.347   0.347
  329   1HB   ARG  39          1HB       ARG  39   5.372   2.633   2.633
  330   2HB   ARG  39          2HB       ARG  39   4.063   3.350   3.350
  331   1HG   ARG  39          1HG       ARG  39   2.850   1.704   1.704
  332   2HG   ARG  39          2HG       ARG  39   4.159   2.629   2.629
  333   1HD   ARG  39          1HD       ARG  39   2.048   3.973   3.973
  334   2HD   ARG  39          2HD       ARG  39   1.771   3.703   3.703
  335    HE   ARG  39           HE       ARG  39   3.836   5.517   5.517
  336   1HH1  ARG  39          1HH1      ARG  39   2.507   4.206   4.206
  337   2HH1  ARG  39          2HH1      ARG  39   3.335   5.485   5.485
  338   1HH2  ARG  39          1HH2      ARG  39   4.694   6.870   6.870
  339   2HH2  ARG  39          2HH2      ARG  39   4.524   6.937   6.937
  340    H    TYR  40           H        TYR  40   3.241  -1.117  -1.117
  341    HA   TYR  40           HA       TYR  40   0.351  -0.371  -0.371
  342   1HB   TYR  40          1HB       TYR  40   1.911  -3.042  -3.042
  343   2HB   TYR  40          2HB       TYR  40   0.183  -3.060  -3.060
  344    HD1  TYR  40           HD1      TYR  40   2.871  -2.636  -2.636
  345    HD2  TYR  40           HD2      TYR  40  -1.376  -2.856  -2.856
  346    HE1  TYR  40           HE1      TYR  40   2.617  -3.895  -3.895
  347    HE2  TYR  40           HE2      TYR  40  -1.598  -4.168  -4.168
  348    HH   TYR  40           HH       TYR  40  -0.287  -5.866  -5.866
  349    H    SER  41           H        SER  41   2.552  -1.076  -1.076
  350    HA   SER  41           HA       SER  41   0.519  -0.625  -0.625
  351   1HB   SER  41          1HB       SER  41   0.717  -3.336  -3.336
  352   2HB   SER  41          2HB       SER  41   1.366  -3.374  -3.374
  353    HG   SER  41           HG       SER  41  -0.907  -1.861  -1.861
  354    HA   PRO  42           HA       PRO  42   3.735  -0.260  -0.260
  355   1HB   PRO  42          1HB       PRO  42   4.010  -2.824  -2.824
  356   2HB   PRO  42          2HB       PRO  42   2.881  -1.411  -1.411
  357   1HG   PRO  42          1HG       PRO  42   2.219  -3.779  -3.779
  358   2HG   PRO  42          2HG       PRO  42   1.353  -3.090  -3.090
  359   1HD   PRO  42          1HD       PRO  42   0.700  -2.604  -2.604
  360   2HD   PRO  42          2HD       PRO  42   0.775  -1.200  -1.200
  361    H    LYS  43           H        LYS  43   4.020  -3.532  -3.532
  362    HA   LYS  43           HA       LYS  43   6.805  -2.663  -2.663
  363   1HB   LYS  43          1HB       LYS  43   6.850  -4.155  -4.155
  364   2HB   LYS  43          2HB       LYS  43   6.196  -5.463  -5.463
  365   1HG   LYS  43          1HG       LYS  43   8.610  -4.169  -4.169
  366   2HG   LYS  43          2HG       LYS  43   8.945  -4.817  -4.817
  367   1HD   LYS  43          1HD       LYS  43   7.448  -6.551  -6.551
  368   2HD   LYS  43          2HD       LYS  43   9.175  -6.247  -6.247
  369   1HE   LYS  43          1HE       LYS  43   8.925  -6.819  -6.819
  370   2HE   LYS  43          2HE       LYS  43   7.932  -8.037  -8.037
  371   1HZ   LYS  43          1HZ       LYS  43  10.721  -7.373  -7.373
  372   2HZ   LYS  43          2HZ       LYS  43  10.278  -8.666  -8.666
  373   3HZ   LYS  43          3HZ       LYS  43   9.763  -8.609  -8.609