*HEADER   LIPID TRANSPORT                         02-MAR-96   1ODR              
*TITLE    PEPTIDE OF HUMAN APOA-I RESIDUES 166 - 185.  NMR,                     
*TITLE   2 5 STRUCTURES AT PH 6.0, 37 DEGREES CELSIUS AND PEPTIDE:DPC           
*TITLE   3 MOLE RATIO OF 1:40                                                   
*COMPND   MOL_ID: 1;                                                            
*COMPND  2 MOLECULE: APOA-I PEPTIDE;                                            
*COMPND  3 CHAIN: NULL;                                                         
*COMPND  4 FRAGMENT: RESIDUES 166 - 185;                                        
*COMPND  5 SYNONYM: APOA-I (166 - 185), APOLIPOPROTEIN A-I                      
*COMPND  6 (166 - 185);                                                         
*COMPND  7 ENGINEERED: YES                                                      
*SOURCE   MOL_ID: 1;                                                            
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  3 ORGANISM_COMMON: HUMAN                                               
*KEYWDS   APOLIPOPROTEIN A-I, COFACTOR FOR LCAT ACTIVATION, LIPID               
*KEYWDS  2 TRANSPORT                                                            
*EXPDTA   NMR, 5 STRUCTURES                                                     
*AUTHOR   G.WANG,W.D.TRELEAVEN,R.J.CUSHLEY                                      
*REVDAT  1   10-JUN-96 1ODR    0                                                



The following are the NMR restraints used for the determination of the five 
deposited structures.

!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_5:HD1*    1:LEU_5:HD2*    1:LEU_5:CD1     1:LEU_5:CD2     1:LEU_5:CG     
1:LEU_16:HD1*   1:LEU_16:HD2*   1:LEU_16:CD1    1:LEU_16:CD2    1:LEU_16:CG    
!
#NOE_distance
1:ALA_10:HN        1:ALA_10:HA         1.800  2.900  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HD*       1:ARG+_6:HA         3.410  6.000  5.000 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:ARG+_6:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:ARG+_6:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HA         1.800  3.000  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_9:HD*         3.510  7.400  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:LEU_5:HD1*        3.510  7.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:LEU_9:HD*         3.510  7.400  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HD*      1:LYS+_17:HE*       2.510  5.500  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HB1      1:LYS+_17:HE*       3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:GLN_7:HB*        1:GLN_7:HG1         2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HG1       1:ARG+_6:HD*        1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HG2       1:ARG+_6:HD*        1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HB1       1:ARG+_6:HD*        2.510  4.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HB2       1:ARG+_6:HD*        2.510  4.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HG1       1:ARG+_8:HD*        1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HG2       1:ARG+_8:HD*        1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HD*        2.510  5.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HG1      1:ARG+_12:HD*       1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HG2      1:ARG+_12:HD*       1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HB1      1:ARG+_12:HD*       2.510  4.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HB2      1:ARG+_12:HD*       2.510  4.500  5.000 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ARG+_6:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ARG+_6:HN         1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:ASN_19:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:ASN_19:HB2        3.010  4.500  3.500 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:ASN_19:HB1        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:GLU-_18:HB1       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:GLU-_18:HB2       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:ASN_19:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:GLU-_18:HN        1.800  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:GLYC_20:HN        1.800  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:LYS+_17:HA        1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_14:HA        3.510  6.150  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LEU_13:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:GLU-_14:HA        2.510  3.970  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HA        1.800  2.960  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LEU_16:HD1*       3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LEU_16:HD2*       3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LEU_16:HG         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLN_7:HG1         2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLN_7:HG2         2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:LEU_9:HB*         1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HB1       1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HG2       3.510  5.000  5.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HG1       3.510  5.000  5.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HB2       2.510  3.680  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ARG+_6:HB2        2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ARG+_6:HB1        2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_18:HB2       1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_18:HB1       1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ALA_11:HB*        1.800  4.000  2.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ALA_10:HN         1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU-_14:HN        1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ASP-_3:HB*       1:ASP-_3:HA         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HB2       1:ARG+_6:HA         1.800  3.050  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HB1       1:ARG+_6:HA         1.800  3.050  2.500 32.00 32.00 100.000  0.00
1:LEU_9:HB*        1:ARG+_6:HA         1.800  3.970  2.500 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:GLYC_20:HA1       2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:GLYC_20:HA2       2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_18:HA        1.800  2.980  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HD*       1.800  3.520  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HN         1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LYS+_17:HN        1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:LYS+_17:HB1       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:LYS+_17:HB2       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:LEU_9:HN          1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:GLU-_18:HN        1.800  2.850  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:LEU_13:HB*        1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:LEU_13:HG         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:LEU_13:HD*        2.510  5.900  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:LEU_13:HN         1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:GLU-_14:HN        1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HE21       1:GLN_7:HG1         2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HB1      1:GLU-_14:HA        3.510  5.250  5.000 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:ASP-_3:HA         2.410  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HA          1.800  3.020  2.500 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:GLU-_4:HA         1.800  3.010  2.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ALA_10:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:TYRN_1:HA         2.510  5.500  3.500 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:TYRN_1:HB1        1.800  4.500  4.415 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:TYRN_1:HB2        1.800  4.500  4.415 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:GLU-_4:HG*        2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:ASP-_3:HB*        1.800  4.050  2.500 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:ASP-_3:HB*        1.800  3.800  2.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_18:HG1       2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_18:HG2       2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLN_7:HB*         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU-_14:HA        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HN          1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:ARG+_12:HA        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HD1*        3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HD2*        3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HA         1.800  3.520  2.500 32.00 32.00 100.000  0.00
1:ARG+_8:HD*       1:ARG+_8:HA         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HE        1:ARG+_8:HD*        1.800  6.000  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLU-_4:HB2        2.510  3.850  3.389 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:GLU-_4:HB2        2.510  3.950  3.500 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:GLU-_4:HB1        2.510  3.800  3.503 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HB1        1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HB2        1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HG2        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HD*      1:ARG+_12:HA        1.800  4.500  3.385 32.00 32.00 100.000  0.00
1:ARG+_12:HB1      1:ARG+_12:HA        1.800  3.080  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HB2      1:ARG+_12:HA        1.800  3.080  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HH*       1:ARG+_6:HD*        2.510  5.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HH*      1:ARG+_12:HD*       2.510  5.500  3.500 32.00 32.00 100.000  0.00
1:TYRN_1:HB2       1:TYRN_1:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:TYRN_1:HB1       1:TYRN_1:HA         2.510  3.500  3.390 32.00 32.00 100.000  0.00
1:ASN_19:HB2       1:ASN_19:HA         2.510  3.550  3.500 32.00 32.00 100.000  0.00
1:ASN_19:HB1       1:ASN_19:HA         2.510  3.550  3.589 32.00 32.00 100.000  0.00
1:GLU-_4:HG*       1:GLU-_4:HA         2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HB*        1:GLN_7:HA          1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:ALA_10:HB*       1:GLN_7:HA          2.510  5.000  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HG1        1:GLN_7:HA          2.510  4.200  3.389 32.00 32.00 100.000  0.00
1:GLN_7:HG2        1:GLN_7:HA          2.510  3.900  3.389 32.00 32.00 100.000  0.00
1:ALA_10:HB*       1:ALA_10:HA         1.800  4.000  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HD*       1:ALA_10:HA         2.510  5.900  3.500 32.00 32.00 100.000  0.00
1:LEU_13:HB*       1:ALA_10:HA         2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HB1        1.800  3.700  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HG         2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HG        1:LEU_16:HA         2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HB1       1:LEU_16:HA         1.800  3.000  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HA         1.800  2.970  2.500 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:GLU-_4:HN         1.800  5.000  5.000 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:SER_2:HA          1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ASP-_3:HB*       1:SER_2:HA          3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLN_7:HA          1.800  2.900  2.500 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:SER_2:HB2         3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:SER_2:HB2         3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:SER_2:HB2         3.510  5.500  5.000 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:SER_2:HB1         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:GLU-_14:HB*       1.800  3.800  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:LEU_13:HB*        1.800  3.700  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:GLU-_14:HA        1.800  2.900  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:ALA_15:HB*        1.800  4.000  2.500 32.00 32.00 100.000  0.00
1:ARG+_8:HB*       1:LEU_5:HA          2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ARG+_8:HD*        3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ARG+_8:HG2        2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ARG+_8:HB*        1.800  3.800  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HB*         1.800  3.800  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HB2       1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HB1       1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:ALA_15:HA         1.800  2.950  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HE        1:ARG+_6:HD*        1.800  4.500  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:ALA_10:HN         1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HG1      1:GLU-_14:HA        2.510  3.810  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HG2      1:GLU-_14:HA        2.510  3.900  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HB*      1:GLU-_14:HA        1.800  3.830  2.342 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLU-_4:HN         1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HB*         1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HG          2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:LEU_9:HD*         3.510  7.400  5.000 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:LEU_9:HG          2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_13:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:ASP-_3:HA         1.800  3.000  2.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ASP-_3:HA         3.510  5.250  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:ASP-_3:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_18:HB1      1:GLU-_18:HA        1.800  3.050  2.500 32.00 32.00 100.000  0.00
1:GLU-_18:HB2      1:GLU-_18:HA        1.800  3.050  2.500 32.00 32.00 100.000  0.00
1:GLU-_18:HG1      1:GLU-_18:HA        2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_18:HG2      1:GLU-_18:HA        2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:GLU-_18:HA        1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HD*        3.510  6.000  4.920 32.00 32.00 100.000  0.00
1:LEU_5:HB*        1:LEU_5:HA          1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HG         1:LEU_5:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_5:HD1*       1:LEU_5:HA          2.510  5.000  3.500 32.00 32.00 100.000  0.00
1:LEU_5:HD2*       1:LEU_5:HA          2.510  5.500  5.000 32.00 32.00 100.000  0.00
1:GLU-_4:HB1       1:GLU-_4:HA         1.800  3.000  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HB1       1:ASP-_3:HA         2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HB2       1:ASP-_3:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HD*       1:ASP-_3:HA         3.510  6.150  5.000 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:LEU_9:HD*         2.510  5.900  5.000 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HD1*       3.510  6.500  4.739 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HD2*       3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:ALA_10:HB*        1.800  4.000  2.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:LEU_9:HG          2.510  3.870  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:LEU_9:HB*         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:ARG+_8:HB*        1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:ARG+_12:HB1       2.510  3.900  3.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:ARG+_12:HB2       2.510  3.900  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ALA_11:HB*        2.510  5.000  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_13:HA         2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HB1       1:LEU_13:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:GLU-_14:HA        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:ALA_15:HB*        2.510  5.000  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:ALA_15:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HB2      1:LYS+_17:HA        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HG1      1:LYS+_17:HA        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HG2      1:LYS+_17:HA        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:SER_2:HB1        1:SER_2:HA          2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:SER_2:HA          3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HB*        1:SER_2:HA          3.510  6.800  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:SER_2:HA          3.510  7.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:SER_2:HA          3.510  5.950  5.000 32.00 32.00 100.000  0.00
1:SER_2:HB2        1:SER_2:HA          2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HG1       3.510  5.100  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HG2       3.510  5.100  5.500 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:LYS+_17:HA        3.510  5.300  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HB1        3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HG         3.510  5.500  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU-_14:HB*       1.800  3.500  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:GLU-_14:HG1       3.510  5.004  5.000 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:GLU-_14:HG2       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:GLN_7:HB*         2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:LEU_9:HA          1.800  2.950  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:LEU_13:HA         1.800  2.930  2.500 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:GLN_7:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:ARG+_8:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HG1      1:ALA_11:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_14:HB*      1:ALA_11:HA         1.800  3.800  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:ALA_11:HA         2.510  3.610  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_8:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ALA_10:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:ALA_10:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ARG+_6:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ARG+_8:HA         1.800  2.950  2.500 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:LEU_5:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:GLN_7:HA          3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ARG+_8:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HA        1.800  2.960  2.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ARG+_12:HN        1.800  2.800  2.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ALA_11:HA         1.800  2.990  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HB1      1:LEU_9:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HG         1:LEU_9:HA          2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HB*        1:LEU_9:HA          1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:LEU_9:HA          3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:LEU_9:HA          2.510  3.520  3.500 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:LEU_5:HD1*        3.510  8.600  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:TYRN_1:HB1        3.510  7.000  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:TYRN_1:HB2        3.510  7.000  5.000 32.00 32.00 100.000  0.00
!
#mixing_times
5.000000E-02 1.000000E-01 1.500000E-01 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          3H        TYR   1  13.789  -4.224   6.073
    2   2H    TYR   1          1H        TYR   1  14.721  -4.689   4.752
    3   3H    TYR   1          2H        TYR   1  15.247  -3.447   5.757
    4    HA   TYR   1           HA       TYR   1  13.822  -1.916   4.952
    5   1HB   TYR   1          1HB       TYR   1  14.074  -3.890   2.564
    6   2HB   TYR   1          2HB       TYR   1  13.734  -2.185   2.428
    7    HD1  TYR   1           HD2      TYR   1  16.064  -1.861   4.890
    8    HD2  TYR   1           HD1      TYR   1  15.849  -3.276   0.836
    9    HE1  TYR   1           HE2      TYR   1  18.457  -1.349   4.573
   10    HE2  TYR   1           HE1      TYR   1  18.231  -2.758   0.531
   11    HH   TYR   1           HH       TYR   1  19.942  -0.785   2.500
   12    H    SER   2           H        SER   2  11.956  -2.090   6.027
   13    HA   SER   2           HA       SER   2   9.594  -2.708   4.444
   14   1HB   SER   2          1HB       SER   2   8.711  -4.712   5.668
   15   2HB   SER   2          2HB       SER   2  10.186  -5.116   4.802
   16    HG   SER   2           HG       SER   2   9.739  -4.791   7.570
   17    H    ASP   3           H        ASP   3  10.305  -0.550   5.709
   18    HA   ASP   3           HA       ASP   3   8.122  -0.316   7.733
   19   1HB   ASP   3          1HB       ASP   3  11.015  -0.434   8.495
   20   2HB   ASP   3          2HB       ASP   3  10.339   1.116   8.941
   21    H    GLU   4           H        GLU   4   8.718   0.621   5.090
   22    HA   GLU   4           HA       GLU   4   8.158   3.520   5.489
   23   1HB   GLU   4          1HB       GLU   4  10.288   3.776   3.688
   24   2HB   GLU   4          2HB       GLU   4  10.343   4.206   5.380
   25   1HG   GLU   4          1HG       GLU   4  11.048   1.526   5.605
   26   2HG   GLU   4          2HG       GLU   4  11.587   1.797   3.966
   27    H    LEU   5           H        LEU   5   9.386   1.177   3.143
   28    HA   LEU   5           HA       LEU   5   7.684   2.393   1.003
   29   1HB   LEU   5          1HB       LEU   5   9.574  -0.051   1.053
   30   2HB   LEU   5          2HB       LEU   5   8.627   0.365  -0.363
   31    HG   LEU   5           HG       LEU   5  10.329   2.605   0.712
   32   1HD1  LEU   5          2HD1      LEU   5  11.828   0.632   1.127
   33   2HD1  LEU   5          3HD1      LEU   5  11.632   0.099  -0.561
   34   3HD1  LEU   5          1HD1      LEU   5  12.453   1.636  -0.195
   35   1HD2  LEU   5          2HD2      LEU   5   9.895   1.431  -2.126
   36   2HD2  LEU   5          3HD2      LEU   5   9.148   2.901  -1.453
   37   3HD2  LEU   5          1HD2      LEU   5  10.888   2.867  -1.755
   38    H    ARG   6           H        ARG   6   7.563  -0.323   3.139
   39    HA   ARG   6           HA       ARG   6   5.436  -1.792   1.874
   40   1HB   ARG   6          1HB       ARG   6   6.853  -2.293   4.070
   41   2HB   ARG   6          2HB       ARG   6   5.649  -1.341   4.917
   42   1HG   ARG   6          2HG       ARG   6   3.900  -3.051   3.708
   43   2HG   ARG   6          1HG       ARG   6   5.318  -4.078   3.526
   44   1HD   ARG   6          1HD       ARG   6   4.470  -4.810   5.597
   45   2HD   ARG   6          2HD       ARG   6   5.726  -3.656   6.116
   46    HE   ARG   6           HE       ARG   6   3.712  -1.906   6.039
   47   1HH1  ARG   6          2HH2      ARG   6   3.394  -5.216   7.035
   48   2HH1  ARG   6          1HH2      ARG   6   1.960  -4.831   8.133
   49   1HH2  ARG   6          1HH1      ARG   6   2.160  -1.566   7.247
   50   2HH2  ARG   6          2HH1      ARG   6   1.285  -2.849   8.252
   51    H    GLN   7           H        GLN   7   5.342   1.035   3.945
   52    HA   GLN   7           HA       GLN   7   2.441   1.246   4.076
   53   1HB   GLN   7          1HB       GLN   7   4.617   3.437   4.136
   54   2HB   GLN   7          2HB       GLN   7   2.930   3.712   4.562
   55   1HG   GLN   7          2HG       GLN   7   3.810   1.480   6.218
   56   2HG   GLN   7          1HG       GLN   7   5.131   2.622   6.239
   57   1HE2  GLN   7          2HE2      GLN   7   2.750   5.086   7.851
   58   2HE2  GLN   7          1HE2      GLN   7   3.408   5.005   6.123
   59    H    ARG   8           H        ARG   8   4.798   2.313   1.737
   60    HA   ARG   8           HA       ARG   8   3.035   4.032   0.174
   61   1HB   ARG   8          1HB       ARG   8   5.114   4.359  -0.770
   62   2HB   ARG   8          2HB       ARG   8   5.744   2.907  -0.017
   63   1HG   ARG   8          1HG       ARG   8   6.040   2.670  -2.457
   64   2HG   ARG   8          2HG       ARG   8   4.779   1.534  -1.987
   65   1HD   ARG   8          1HD       ARG   8   3.819   2.557  -3.891
   66   2HD   ARG   8          2HD       ARG   8   3.106   3.550  -2.593
   67    HE   ARG   8           HE       ARG   8   4.973   5.227  -2.967
   68   1HH1  ARG   8          2HH2      ARG   8   4.362   2.957  -5.521
   69   2HH1  ARG   8          1HH2      ARG   8   5.110   4.065  -6.793
   70   1HH2  ARG   8          1HH1      ARG   8   5.766   6.371  -4.397
   71   2HH2  ARG   8          2HH1      ARG   8   5.874   5.923  -6.189
   72    H    LEU   9           H        LEU   9   3.713   0.597   0.098
   73    HA   LEU   9           HA       LEU   9   2.131   0.050  -2.326
   74   1HB   LEU   9          1HB       LEU   9   3.259  -1.915  -2.039
   75   2HB   LEU   9          2HB       LEU   9   3.746  -1.451  -0.420
   76    HG   LEU   9           HG       LEU   9   1.204  -2.353   0.162
   77   1HD1  LEU   9          3HD2      LEU   9   0.828  -3.023  -2.302
   78   2HD1  LEU   9          1HD2      LEU   9   2.132  -4.204  -2.141
   79   3HD1  LEU   9          2HD2      LEU   9   0.656  -4.370  -1.150
   80   1HD2  LEU   9          2HD1      LEU   9   3.423  -3.033   1.198
   81   2HD2  LEU   9          3HD1      LEU   9   2.338  -4.423   0.950
   82   3HD2  LEU   9          1HD1      LEU   9   3.702  -4.141  -0.158
   83    H    ALA  10           H        ALA  10   1.439  -0.040   1.108
   84    HA   ALA  10           HA       ALA  10  -1.293  -0.944   0.920
   85   1HB   ALA  10          2HB       ALA  10  -0.018  -0.689   3.089
   86   2HB   ALA  10          3HB       ALA  10  -0.040   1.083   2.920
   87   3HB   ALA  10          1HB       ALA  10  -1.557   0.189   3.183
   88    H    ALA  11           H        ALA  11   0.115   2.181   0.331
   89    HA   ALA  11           HA       ALA  11  -2.416   3.657   0.388
   90   1HB   ALA  11          2HB       ALA  11  -0.150   4.749   0.653
   91   2HB   ALA  11          3HB       ALA  11   0.275   4.326  -1.022
   92   3HB   ALA  11          1HB       ALA  11  -1.028   5.494  -0.696
   93    H    ARG  12           H        ARG  12  -0.547   2.191  -2.199
   94    HA   ARG  12           HA       ARG  12  -2.328   3.001  -4.371
   95   1HB   ARG  12          2HB       ARG  12   0.030   2.046  -4.637
   96   2HB   ARG  12          1HB       ARG  12  -0.547   0.477  -4.108
   97   1HG   ARG  12          2HG       ARG  12  -1.714   0.011  -6.120
   98   2HG   ARG  12          1HG       ARG  12  -1.981   1.706  -6.520
   99   1HD   ARG  12          1HD       ARG  12  -0.282   1.374  -8.032
  100   2HD   ARG  12          2HD       ARG  12   0.778   1.680  -6.631
  101    HE   ARG  12           HE       ARG  12   0.250  -0.938  -7.941
  102   1HH1  ARG  12          2HH2      ARG  12   1.343   0.536  -4.994
  103   2HH1  ARG  12          1HH2      ARG  12   2.264  -0.981  -4.484
  104   1HH2  ARG  12          1HH1      ARG  12   1.268  -2.540  -7.323
  105   2HH2  ARG  12          2HH1      ARG  12   2.227  -2.656  -5.746
  106    H    LEU  13           H        LEU  13  -2.315   0.326  -2.128
  107    HA   LEU  13           HA       LEU  13  -4.461  -1.136  -3.518
  108   1HB   LEU  13          1HB       LEU  13  -3.047  -1.368  -0.818
  109   2HB   LEU  13          2HB       LEU  13  -4.581  -2.197  -0.996
  110    HG   LEU  13           HG       LEU  13  -2.386  -2.674  -3.064
  111   1HD1  LEU  13          3HD2      LEU  13  -1.364  -2.998  -0.719
  112   2HD1  LEU  13          1HD2      LEU  13  -2.576  -4.244  -0.402
  113   3HD1  LEU  13          2HD2      LEU  13  -1.383  -4.478  -1.709
  114   1HD2  LEU  13          2HD1      LEU  13  -4.736  -3.583  -3.415
  115   2HD2  LEU  13          3HD1      LEU  13  -3.523  -4.881  -3.289
  116   3HD2  LEU  13          1HD1      LEU  13  -4.588  -4.512  -1.912
  117    H    GLU  14           H        GLU  14  -4.418   1.406  -1.209
  118    HA   GLU  14           HA       GLU  14  -6.969   0.970   0.046
  119   1HB   GLU  14          1HB       GLU  14  -5.019   3.168  -0.267
  120   2HB   GLU  14          2HB       GLU  14  -6.632   3.826  -0.399
  121   1HG   GLU  14          2HG       GLU  14  -5.448   2.297   2.026
  122   2HG   GLU  14          1HG       GLU  14  -5.847   3.995   1.950
  123    H    ALA  15           H        ALA  15  -6.184   2.670  -2.931
  124    HA   ALA  15           HA       ALA  15  -8.932   3.654  -3.353
  125   1HB   ALA  15          2HB       ALA  15  -6.893   4.755  -4.366
  126   2HB   ALA  15          3HB       ALA  15  -6.565   3.303  -5.342
  127   3HB   ALA  15          1HB       ALA  15  -8.023   4.278  -5.647
  128    H    LEU  16           H        LEU  16  -7.115   0.868  -4.437
  129    HA   LEU  16           HA       LEU  16  -9.222  -0.040  -6.307
  130   1HB   LEU  16          1HB       LEU  16  -6.689  -1.292  -5.132
  131   2HB   LEU  16          2HB       LEU  16  -7.820  -2.314  -6.004
  132    HG   LEU  16           HG       LEU  16  -6.470   0.181  -7.204
  133   1HD1  LEU  16          3HD2      LEU  16  -4.827  -1.724  -6.644
  134   2HD1  LEU  16          1HD2      LEU  16  -5.728  -2.776  -7.741
  135   3HD1  LEU  16          2HD2      LEU  16  -4.906  -1.325  -8.378
  136   1HD2  LEU  16          2HD1      LEU  16  -8.682  -0.500  -8.262
  137   2HD2  LEU  16          3HD1      LEU  16  -7.314  -0.676  -9.387
  138   3HD2  LEU  16          1HD1      LEU  16  -8.013  -2.108  -8.595
  139    H    LYS  17           H        LYS  17  -8.737  -0.318  -2.937
  140    HA   LYS  17           HA       LYS  17 -10.434  -2.779  -2.763
  141   1HB   LYS  17          1HB       LYS  17  -8.336  -2.309  -1.304
  142   2HB   LYS  17          2HB       LYS  17  -9.233  -1.030  -0.498
  143   1HG   LYS  17          2HG       LYS  17  -9.116  -3.572   0.489
  144   2HG   LYS  17          1HG       LYS  17 -10.519  -2.542   0.768
  145   1HD   LYS  17          1HD       LYS  17 -11.323  -3.658  -1.594
  146   2HD   LYS  17          2HD       LYS  17 -10.327  -4.979  -0.954
  147   1HE   LYS  17          1HE       LYS  17 -11.668  -4.174   1.380
  148   2HE   LYS  17          2HE       LYS  17 -12.913  -3.847   0.166
  149   1HZ   LYS  17          1HZ       LYS  17 -11.422  -6.393   0.059
  150   2HZ   LYS  17          2HZ       LYS  17 -12.697  -6.200   1.139
  151   3HZ   LYS  17          3HZ       LYS  17 -12.962  -6.032  -0.513
  152    H    GLU  18           H        GLU  18 -11.455  -0.049  -3.605
  153    HA   GLU  18           HA       GLU  18 -13.734   0.025  -1.587
  154   1HB   GLU  18          2HB       GLU  18 -11.962   2.012  -1.771
  155   2HB   GLU  18          1HB       GLU  18 -12.768   2.413  -3.267
  156   1HG   GLU  18          2HG       GLU  18 -15.009   2.600  -1.865
  157   2HG   GLU  18          1HG       GLU  18 -14.015   2.485  -0.436
  158    H    ASN  19           H        ASN  19 -13.952  -1.717  -3.515
  159    HA   ASN  19           HA       ASN  19 -16.309  -0.599  -4.986
  160   1HB   ASN  19          1HB       ASN  19 -15.522  -1.346  -7.252
  161   2HB   ASN  19          2HB       ASN  19 -14.458  -0.110  -6.621
  162   1HD2  ASN  19          1HD2      ASN  19 -11.661  -2.244  -6.973
  163   2HD2  ASN  19          2HD2      ASN  19 -12.314  -0.541  -6.681
  164    H    GLY  20           H        GLY  20 -14.131  -3.328  -4.553
  165   1HA   GLY  20          1HA       GLY  20 -15.144  -5.409  -3.448
  166   2HA   GLY  20          2HA       GLY  20 -16.617  -5.122  -4.397
   
  No H/Q in entry =         166
  Start of MODEL    2
    1   1H    TYR   1          2H        TYR   1  12.603   0.230   4.160
    2   2H    TYR   1          3H        TYR   1  13.270   0.198   2.616
    3   3H    TYR   1          1H        TYR   1  11.646   0.583   2.823
    4    HA   TYR   1           HA       TYR   1  11.352  -1.526   2.217
    5   1HB   TYR   1          2HB       TYR   1  13.042  -3.334   2.646
    6   2HB   TYR   1          1HB       TYR   1  13.779  -2.005   1.799
    7    HD1  TYR   1           HD2      TYR   1  14.002  -0.238   4.523
    8    HD2  TYR   1           HD1      TYR   1  15.073  -4.269   3.481
    9    HE1  TYR   1           HE2      TYR   1  15.720  -0.251   6.295
   10    HE2  TYR   1           HE1      TYR   1  16.780  -4.270   5.248
   11    HH   TYR   1           HH       TYR   1  18.141  -2.548   6.483
   12    H    SER   2           H        SER   2   9.985  -2.738   3.156
   13    HA   SER   2           HA       SER   2   8.674  -3.682   4.897
   14   1HB   SER   2          2HB       SER   2  11.554  -4.210   5.819
   15   2HB   SER   2          1HB       SER   2  10.229  -4.593   6.906
   16    HG   SER   2           HG       SER   2   9.388  -5.616   4.715
   17    H    ASP   3           H        ASP   3   8.960  -0.924   4.871
   18    HA   ASP   3           HA       ASP   3   7.761  -0.365   7.434
   19   1HB   ASP   3          1HB       ASP   3  10.428  -0.531   7.946
   20   2HB   ASP   3          2HB       ASP   3  10.484   1.060   7.221
   21    H    GLU   4           H        GLU   4   9.689   1.066   4.872
   22    HA   GLU   4           HA       GLU   4   7.687   3.345   4.733
   23   1HB   GLU   4          1HB       GLU   4  10.053   3.190   2.847
   24   2HB   GLU   4          2HB       GLU   4   9.334   4.592   3.600
   25   1HG   GLU   4          1HG       GLU   4  10.441   3.861   5.848
   26   2HG   GLU   4          2HG       GLU   4  11.258   2.583   4.984
   27    H    LEU   5           H        LEU   5   9.184   0.825   2.784
   28    HA   LEU   5           HA       LEU   5   7.622   1.500   0.380
   29   1HB   LEU   5          1HB       LEU   5   9.259  -0.987   1.192
   30   2HB   LEU   5          2HB       LEU   5   8.390  -0.925  -0.329
   31    HG   LEU   5           HG       LEU   5  10.343   1.329   0.265
   32   1HD1  LEU   5          3HD2      LEU   5  11.562  -0.866   0.854
   33   2HD1  LEU   5          1HD2      LEU   5  11.294  -1.418  -0.803
   34   3HD1  LEU   5          2HD2      LEU   5  12.298   0.028  -0.500
   35   1HD2  LEU   5          2HD1      LEU   5   8.894   1.299  -1.826
   36   2HD2  LEU   5          3HD1      LEU   5  10.633   1.270  -2.210
   37   3HD2  LEU   5          1HD1      LEU   5   9.665  -0.219  -2.323
   38    H    ARG   6           H        ARG   6   7.121  -0.609   3.081
   39    HA   ARG   6           HA       ARG   6   4.900  -2.109   1.947
   40   1HB   ARG   6          2HB       ARG   6   6.288  -2.421   4.211
   41   2HB   ARG   6          1HB       ARG   6   5.124  -1.314   4.918
   42   1HG   ARG   6          1HG       ARG   6   3.208  -2.858   4.400
   43   2HG   ARG   6          2HG       ARG   6   4.281  -3.942   3.519
   44   1HD   ARG   6          1HD       ARG   6   4.577  -5.063   5.498
   45   2HD   ARG   6          2HD       ARG   6   5.545  -3.678   6.065
   46    HE   ARG   6           HE       ARG   6   3.590  -2.742   7.171
   47   1HH1  ARG   6          2HH2      ARG   6   2.857  -5.783   5.667
   48   2HH1  ARG   6          1HH2      ARG   6   1.300  -5.979   6.638
   49   1HH2  ARG   6          1HH1      ARG   6   1.895  -3.023   8.186
   50   2HH2  ARG   6          2HH1      ARG   6   0.771  -4.482   8.009
   51    H    GLN   7           H        GLN   7   5.068   0.941   3.666
   52    HA   GLN   7           HA       GLN   7   2.189   1.339   3.868
   53   1HB   GLN   7          1HB       GLN   7   4.519   3.363   3.725
   54   2HB   GLN   7          2HB       GLN   7   2.862   3.815   4.121
   55   1HG   GLN   7          2HG       GLN   7   3.534   1.679   5.973
   56   2HG   GLN   7          1HG       GLN   7   4.973   2.666   5.887
   57   1HE2  GLN   7          2HE2      GLN   7   1.854   4.788   7.397
   58   2HE2  GLN   7          1HE2      GLN   7   1.642   3.886   5.797
   59    H    ARG   8           H        ARG   8   4.553   2.305   1.453
   60    HA   ARG   8           HA       ARG   8   2.669   3.833  -0.182
   61   1HB   ARG   8          1HB       ARG   8   5.425   2.560  -0.609
   62   2HB   ARG   8          2HB       ARG   8   4.539   3.061  -2.037
   63   1HG   ARG   8          1HG       ARG   8   4.329   5.365  -0.364
   64   2HG   ARG   8          2HG       ARG   8   5.909   4.725   0.077
   65   1HD   ARG   8          1HD       ARG   8   4.977   5.335  -2.812
   66   2HD   ARG   8          2HD       ARG   8   6.019   6.386  -1.818
   67    HE   ARG   8           HE       ARG   8   6.815   3.905  -3.213
   68   1HH1  ARG   8          2HH2      ARG   8   7.606   5.879  -0.469
   69   2HH1  ARG   8          1HH2      ARG   8   9.339   5.247  -0.414
   70   1HH2  ARG   8          1HH1      ARG   8   8.703   3.268  -3.090
   71   2HH2  ARG   8          2HH1      ARG   8   9.942   3.828  -1.836
   72    H    LEU   9           H        LEU   9   3.480   0.462   0.041
   73    HA   LEU   9           HA       LEU   9   2.155  -0.339  -2.455
   74   1HB   LEU   9          1HB       LEU   9   3.307  -2.221  -1.839
   75   2HB   LEU   9          2HB       LEU   9   3.491  -1.654  -0.191
   76    HG   LEU   9           HG       LEU   9   1.043  -2.542   0.204
   77   1HD1  LEU   9          2HD1      LEU   9   0.459  -2.857  -2.219
   78   2HD1  LEU   9          3HD1      LEU   9   1.742  -4.080  -2.392
   79   3HD1  LEU   9          1HD1      LEU   9   0.343  -4.390  -1.336
   80   1HD2  LEU   9          2HD2      LEU   9   3.383  -4.513  -0.305
   81   2HD2  LEU   9          3HD2      LEU   9   3.001  -3.680   1.222
   82   3HD2  LEU   9          1HD2      LEU   9   1.893  -4.906   0.597
   83    H    ALA  10           H        ALA  10   1.085  -0.120   0.878
   84    HA   ALA  10           HA       ALA  10  -1.615  -1.084   0.411
   85   1HB   ALA  10          2HB       ALA  10  -0.603  -0.761   2.706
   86   2HB   ALA  10          3HB       ALA  10  -0.587   1.004   2.476
   87   3HB   ALA  10          1HB       ALA  10  -2.133   0.129   2.588
   88    H    ALA  11           H        ALA  11  -0.115   2.005  -0.124
   89    HA   ALA  11           HA       ALA  11  -2.620   3.507  -0.400
   90   1HB   ALA  11          2HB       ALA  11  -0.386   4.589   0.085
   91   2HB   ALA  11          3HB       ALA  11   0.224   4.101  -1.514
   92   3HB   ALA  11          1HB       ALA  11  -1.094   5.291  -1.383
   93    H    ARG  12           H        ARG  12  -0.630   1.687  -2.602
   94    HA   ARG  12           HA       ARG  12  -2.072   2.541  -5.025
   95   1HB   ARG  12          1HB       ARG  12  -0.035   0.420  -4.267
   96   2HB   ARG  12          2HB       ARG  12  -1.038   0.005  -5.644
   97   1HG   ARG  12          2HG       ARG  12   0.500   1.191  -6.905
   98   2HG   ARG  12          1HG       ARG  12  -0.245   2.662  -6.289
   99   1HD   ARG  12          1HD       ARG  12   1.790   3.201  -5.418
  100   2HD   ARG  12          2HD       ARG  12   1.490   1.963  -4.171
  101    HE   ARG  12           HE       ARG  12   3.110   0.604  -5.197
  102   1HH1  ARG  12          2HH2      ARG  12   1.930   2.778  -7.633
  103   2HH1  ARG  12          1HH2      ARG  12   3.124   2.144  -8.890
  104   1HH2  ARG  12          1HH1      ARG  12   4.374  -0.027  -6.607
  105   2HH2  ARG  12          2HH1      ARG  12   4.455   0.619  -8.339
  106    H    LEU  13           H        LEU  13  -2.262  -0.293  -2.939
  107    HA   LEU  13           HA       LEU  13  -4.642  -1.317  -4.379
  108   1HB   LEU  13          1HB       LEU  13  -3.074  -2.138  -1.875
  109   2HB   LEU  13          2HB       LEU  13  -4.678  -2.807  -2.102
  110    HG   LEU  13           HG       LEU  13  -2.619  -3.056  -4.347
  111   1HD1  LEU  13          3HD2      LEU  13  -1.547  -3.898  -2.159
  112   2HD1  LEU  13          1HD2      LEU  13  -2.852  -5.080  -2.016
  113   3HD1  LEU  13          2HD2      LEU  13  -1.732  -5.158  -3.404
  114   1HD2  LEU  13          2HD1      LEU  13  -5.053  -3.690  -4.737
  115   2HD2  LEU  13          3HD1      LEU  13  -3.955  -5.081  -4.918
  116   3HD2  LEU  13          1HD1      LEU  13  -4.933  -4.895  -3.442
  117    H    GLU  14           H        GLU  14  -4.340   1.193  -2.282
  118    HA   GLU  14           HA       GLU  14  -6.793   0.877  -0.742
  119   1HB   GLU  14          1HB       GLU  14  -4.746   2.838  -1.068
  120   2HB   GLU  14          2HB       GLU  14  -6.169   3.666  -1.652
  121   1HG   GLU  14          2HG       GLU  14  -5.356   3.086   1.149
  122   2HG   GLU  14          1HG       GLU  14  -6.492   4.271   0.555
  123    H    ALA  15           H        ALA  15  -6.170   2.523  -3.803
  124    HA   ALA  15           HA       ALA  15  -9.093   2.911  -4.237
  125   1HB   ALA  15          2HB       ALA  15  -7.370   4.623  -4.958
  126   2HB   ALA  15          3HB       ALA  15  -6.645   3.452  -6.084
  127   3HB   ALA  15          1HB       ALA  15  -8.294   4.060  -6.363
  128    H    LEU  16           H        LEU  16  -7.434   0.197  -4.349
  129    HA   LEU  16           HA       LEU  16  -8.692  -0.726  -6.948
  130   1HB   LEU  16          2HB       LEU  16  -6.320  -1.697  -5.268
  131   2HB   LEU  16          1HB       LEU  16  -7.140  -2.860  -6.291
  132    HG   LEU  16           HG       LEU  16  -6.332  -0.331  -7.703
  133   1HD1  LEU  16          3HD2      LEU  16  -4.355  -0.758  -6.104
  134   2HD1  LEU  16          1HD2      LEU  16  -4.134  -2.341  -6.856
  135   3HD1  LEU  16          2HD2      LEU  16  -3.923  -0.859  -7.829
  136   1HD2  LEU  16          2HD1      LEU  16  -7.334  -2.373  -8.843
  137   2HD2  LEU  16          3HD1      LEU  16  -5.729  -1.958  -9.493
  138   3HD2  LEU  16          1HD1      LEU  16  -5.914  -3.322  -8.363
  139    H    LYS  17           H        LYS  17  -8.421  -1.443  -3.539
  140    HA   LYS  17           HA       LYS  17 -10.471  -3.608  -3.853
  141   1HB   LYS  17          2HB       LYS  17  -9.245  -4.388  -1.844
  142   2HB   LYS  17          1HB       LYS  17  -8.340  -2.889  -1.910
  143   1HG   LYS  17          1HG       LYS  17 -10.390  -1.756  -0.657
  144   2HG   LYS  17          2HG       LYS  17 -10.969  -3.403  -0.387
  145   1HD   LYS  17          1HD       LYS  17  -8.280  -3.561   0.420
  146   2HD   LYS  17          2HD       LYS  17  -8.668  -1.875   0.813
  147   1HE   LYS  17          1HE       LYS  17 -10.343  -2.445   2.395
  148   2HE   LYS  17          2HE       LYS  17 -10.782  -3.953   1.576
  149   1HZ   LYS  17          2HZ       LYS  17  -8.415  -4.694   2.209
  150   2HZ   LYS  17          3HZ       LYS  17  -8.458  -3.431   3.319
  151   3HZ   LYS  17          1HZ       LYS  17  -9.601  -4.662   3.401
  152    H    GLU  18           H        GLU  18 -10.388  -0.289  -3.060
  153    HA   GLU  18           HA       GLU  18 -12.679  -0.079  -1.340
  154   1HB   GLU  18          1HB       GLU  18 -11.153   1.821  -1.906
  155   2HB   GLU  18          2HB       GLU  18 -11.671   1.793  -3.574
  156   1HG   GLU  18          1HG       GLU  18 -12.874   3.657  -2.709
  157   2HG   GLU  18          2HG       GLU  18 -14.097   2.413  -2.655
  158    H    ASN  19           H        ASN  19 -14.400  -1.174  -1.634
  159    HA   ASN  19           HA       ASN  19 -16.415  -0.443  -3.517
  160   1HB   ASN  19          2HB       ASN  19 -14.335  -1.998  -4.830
  161   2HB   ASN  19          1HB       ASN  19 -15.668  -3.108  -4.616
  162   1HD2  ASN  19          1HD2      ASN  19 -16.591  -1.789  -7.795
  163   2HD2  ASN  19          2HD2      ASN  19 -15.725  -3.172  -6.930
  164    H    GLY  20           H        GLY  20 -15.126  -3.602  -2.568
  165   1HA   GLY  20          2HA       GLY  20 -17.220  -3.847  -0.430
  166   2HA   GLY  20          1HA       GLY  20 -17.483  -4.949  -1.798
   
  No H/Q in entry =         166
  Start of MODEL    3
    1   1H    TYR   1          3H        TYR   1  13.219  -4.763   3.110
    2   2H    TYR   1          1H        TYR   1  13.600  -3.665   1.894
    3   3H    TYR   1          2H        TYR   1  14.713  -3.993   3.110
    4    HA   TYR   1           HA       TYR   1  13.651  -2.787   4.683
    5   1HB   TYR   1          2HB       TYR   1  13.011  -1.505   1.928
    6   2HB   TYR   1          1HB       TYR   1  12.621  -0.694   3.417
    7    HD1  TYR   1           HD1      TYR   1  15.296  -1.693   4.881
    8    HD2  TYR   1           HD2      TYR   1  14.519   0.187   1.094
    9    HE1  TYR   1           HE1      TYR   1  17.556  -0.730   4.893
   10    HE2  TYR   1           HE2      TYR   1  16.790   1.154   1.120
   11    HH   TYR   1           HH       TYR   1  18.909   0.808   2.114
   12    H    SER   2           H        SER   2  11.950  -2.446   5.836
   13    HA   SER   2           HA       SER   2   9.218  -2.726   4.607
   14   1HB   SER   2          2HB       SER   2  10.406  -4.777   6.545
   15   2HB   SER   2          1HB       SER   2   8.712  -4.353   6.728
   16    HG   SER   2           HG       SER   2   9.812  -5.102   4.211
   17    H    ASP   3           H        ASP   3   9.261  -0.559   5.049
   18    HA   ASP   3           HA       ASP   3   7.891   0.125   7.495
   19   1HB   ASP   3          1HB       ASP   3  10.672  -0.162   8.010
   20   2HB   ASP   3          2HB       ASP   3  10.551   1.551   7.676
   21    H    GLU   4           H        GLU   4  10.071   1.256   5.009
   22    HA   GLU   4           HA       GLU   4   8.389   3.746   4.689
   23   1HB   GLU   4          2HB       GLU   4  10.725   2.916   2.879
   24   2HB   GLU   4          1HB       GLU   4  10.145   4.529   3.213
   25   1HG   GLU   4          1HG       GLU   4  10.993   4.056   5.732
   26   2HG   GLU   4          2HG       GLU   4  11.920   2.766   5.009
   27    H    LEU   5           H        LEU   5   9.050   0.677   3.194
   28    HA   LEU   5           HA       LEU   5   7.352   1.483   0.818
   29   1HB   LEU   5          1HB       LEU   5   9.156  -0.987   1.284
   30   2HB   LEU   5          2HB       LEU   5   8.202  -0.738  -0.165
   31    HG   LEU   5           HG       LEU   5  10.123   1.488   0.537
   32   1HD1  LEU   5          2HD1      LEU   5  11.461  -0.558   1.121
   33   2HD1  LEU   5          3HD1      LEU   5  11.120  -1.265  -0.478
   34   3HD1  LEU   5          1HD1      LEU   5  12.096   0.218  -0.342
   35   1HD2  LEU   5          2HD2      LEU   5   9.423   0.034  -2.113
   36   2HD2  LEU   5          3HD2      LEU   5   8.851   1.638  -1.591
   37   3HD2  LEU   5          1HD2      LEU   5  10.561   1.402  -1.967
   38    H    ARG   6           H        ARG   6   7.285  -0.478   3.631
   39    HA   ARG   6           HA       ARG   6   5.037  -2.158   2.833
   40   1HB   ARG   6          2HB       ARG   6   6.630  -2.258   4.969
   41   2HB   ARG   6          1HB       ARG   6   5.515  -1.112   5.694
   42   1HG   ARG   6          2HG       ARG   6   3.697  -2.659   5.806
   43   2HG   ARG   6          1HG       ARG   6   4.323  -3.690   4.523
   44   1HD   ARG   6          1HD       ARG   6   6.029  -3.429   7.032
   45   2HD   ARG   6          2HD       ARG   6   4.531  -4.390   7.125
   46    HE   ARG   6           HE       ARG   6   6.987  -5.059   5.609
   47   1HH1  ARG   6          2HH2      ARG   6   3.561  -5.611   5.692
   48   2HH1  ARG   6          1HH2      ARG   6   3.714  -7.198   4.762
   49   1HH2  ARG   6          1HH1      ARG   6   7.074  -6.782   4.605
   50   2HH2  ARG   6          2HH1      ARG   6   5.621  -7.840   4.169
   51    H    GLN   7           H        GLN   7   5.222   0.998   4.369
   52    HA   GLN   7           HA       GLN   7   2.329   1.395   4.511
   53   1HB   GLN   7          1HB       GLN   7   4.717   3.342   4.382
   54   2HB   GLN   7          2HB       GLN   7   3.058   3.914   4.545
   55   1HG   GLN   7          2HG       GLN   7   2.943   2.386   6.733
   56   2HG   GLN   7          1HG       GLN   7   4.679   2.247   6.597
   57   1HE2  GLN   7          2HE2      GLN   7   3.248   5.601   8.274
   58   2HE2  GLN   7          1HE2      GLN   7   2.108   4.408   7.439
   59    H    ARG   8           H        ARG   8   4.737   2.012   2.054
   60    HA   ARG   8           HA       ARG   8   2.904   3.465   0.257
   61   1HB   ARG   8          1HB       ARG   8   5.620   2.044  -0.085
   62   2HB   ARG   8          2HB       ARG   8   4.766   2.634  -1.498
   63   1HG   ARG   8          2HG       ARG   8   4.681   4.956  -0.029
   64   2HG   ARG   8          1HG       ARG   8   6.060   4.233   0.792
   65   1HD   ARG   8          1HD       ARG   8   7.289   3.974  -1.375
   66   2HD   ARG   8          2HD       ARG   8   5.891   4.634  -2.263
   67    HE   ARG   8           HE       ARG   8   7.820   6.146  -0.572
   68   1HH1  ARG   8          2HH2      ARG   8   4.644   6.251  -1.968
   69   2HH1  ARG   8          1HH2      ARG   8   4.573   8.093  -1.866
   70   1HH2  ARG   8          1HH1      ARG   8   7.670   8.134  -0.489
   71   2HH2  ARG   8          2HH1      ARG   8   6.214   9.122  -1.060
   72    H    LEU   9           H        LEU   9   3.454   0.146   0.981
   73    HA   LEU   9           HA       LEU   9   2.121  -0.843  -1.479
   74   1HB   LEU   9          1HB       LEU   9   3.280  -2.679  -0.737
   75   2HB   LEU   9          2HB       LEU   9   3.492  -1.994   0.862
   76    HG   LEU   9           HG       LEU   9   1.002  -2.814   1.304
   77   1HD1  LEU   9          2HD1      LEU   9   0.489  -3.393  -1.087
   78   2HD1  LEU   9          3HD1      LEU   9   1.784  -4.616  -1.091
   79   3HD1  LEU   9          1HD1      LEU   9   0.358  -4.823  -0.046
   80   1HD2  LEU   9          2HD2      LEU   9   3.368  -4.807   1.075
   81   2HD2  LEU   9          3HD2      LEU   9   2.937  -3.818   2.493
   82   3HD2  LEU   9          1HD2      LEU   9   1.855  -5.114   1.973
   83    H    ALA  10           H        ALA  10   1.180  -0.278   1.846
   84    HA   ALA  10           HA       ALA  10  -1.581  -1.131   1.552
   85   1HB   ALA  10          2HB       ALA  10  -0.473  -0.640   3.773
   86   2HB   ALA  10          3HB       ALA  10  -0.378   1.090   3.369
   87   3HB   ALA  10          1HB       ALA  10  -1.960   0.313   3.612
   88    H    ALA  11           H        ALA  11   0.061   1.776   0.609
   89    HA   ALA  11           HA       ALA  11  -2.393   3.357   0.231
   90   1HB   ALA  11          2HB       ALA  11  -0.114   4.391   0.595
   91   2HB   ALA  11          3HB       ALA  11   0.462   3.723  -0.950
   92   3HB   ALA  11          1HB       ALA  11  -0.806   4.972  -0.931
   93    H    ARG  12           H        ARG  12  -0.407   1.374  -1.864
   94    HA   ARG  12           HA       ARG  12  -1.892   1.991  -4.324
   95   1HB   ARG  12          1HB       ARG  12   0.436   0.551  -3.679
   96   2HB   ARG  12          2HB       ARG  12  -0.672  -0.770  -3.998
   97   1HG   ARG  12          1HG       ARG  12  -0.461   1.528  -6.057
   98   2HG   ARG  12          2HG       ARG  12   0.836   0.341  -5.963
   99   1HD   ARG  12          1HD       ARG  12  -0.733  -1.510  -6.467
  100   2HD   ARG  12          2HD       ARG  12  -2.141  -0.432  -6.293
  101    HE   ARG  12           HE       ARG  12  -1.063   0.946  -8.238
  102   1HH1  ARG  12          2HH2      ARG  12  -0.560  -2.477  -7.959
  103   2HH1  ARG  12          1HH2      ARG  12  -0.274  -2.663  -9.773
  104   1HH2  ARG  12          1HH1      ARG  12  -0.749   0.666 -10.189
  105   2HH2  ARG  12          2HH1      ARG  12  -0.374  -0.958 -10.991
  106    H    LEU  13           H        LEU  13  -2.179  -0.461  -1.834
  107    HA   LEU  13           HA       LEU  13  -4.426  -1.824  -3.171
  108   1HB   LEU  13          1HB       LEU  13  -3.092  -1.972  -0.423
  109   2HB   LEU  13          2HB       LEU  13  -4.694  -2.665  -0.578
  110    HG   LEU  13           HG       LEU  13  -2.180  -3.509  -2.136
  111   1HD1  LEU  13          3HD2      LEU  13  -2.389  -4.300   0.309
  112   2HD1  LEU  13          1HD2      LEU  13  -3.872  -5.153  -0.131
  113   3HD1  LEU  13          2HD2      LEU  13  -2.321  -5.627  -0.876
  114   1HD2  LEU  13          2HD1      LEU  13  -4.283  -3.654  -3.562
  115   2HD2  LEU  13          3HD1      LEU  13  -3.587  -5.257  -3.221
  116   3HD2  LEU  13          1HD1      LEU  13  -5.026  -4.698  -2.336
  117    H    GLU  14           H        GLU  14  -4.208   0.968  -1.233
  118    HA   GLU  14           HA       GLU  14  -6.926   1.018  -0.216
  119   1HB   GLU  14          1HB       GLU  14  -4.748   2.672   0.000
  120   2HB   GLU  14          2HB       GLU  14  -5.589   3.566  -1.243
  121   1HG   GLU  14          1HG       GLU  14  -5.989   3.733   1.599
  122   2HG   GLU  14          2HG       GLU  14  -6.874   4.599   0.369
  123    H    ALA  15           H        ALA  15  -5.591   2.408  -3.176
  124    HA   ALA  15           HA       ALA  15  -8.237   3.256  -4.176
  125   1HB   ALA  15          2HB       ALA  15  -6.074   4.357  -4.886
  126   2HB   ALA  15          3HB       ALA  15  -5.531   2.847  -5.655
  127   3HB   ALA  15          1HB       ALA  15  -6.930   3.731  -6.309
  128    H    LEU  16           H        LEU  16  -6.246   0.424  -4.511
  129    HA   LEU  16           HA       LEU  16  -7.732  -0.748  -6.742
  130   1HB   LEU  16          2HB       LEU  16  -5.815  -1.817  -4.613
  131   2HB   LEU  16          1HB       LEU  16  -6.745  -2.991  -5.524
  132    HG   LEU  16           HG       LEU  16  -5.081  -0.889  -6.999
  133   1HD1  LEU  16          2HD1      LEU  16  -3.561  -1.946  -5.300
  134   2HD1  LEU  16          3HD1      LEU  16  -4.016  -3.570  -5.871
  135   3HD1  LEU  16          1HD1      LEU  16  -3.130  -2.458  -6.942
  136   1HD2  LEU  16          2HD2      LEU  16  -5.952  -3.775  -7.728
  137   2HD2  LEU  16          3HD2      LEU  16  -6.571  -2.262  -8.434
  138   3HD2  LEU  16          1HD2      LEU  16  -4.896  -2.741  -8.731
  139    H    LYS  17           H        LYS  17  -8.201  -0.764  -3.305
  140    HA   LYS  17           HA       LYS  17 -10.472  -2.730  -3.666
  141   1HB   LYS  17          1HB       LYS  17  -8.649  -3.178  -1.918
  142   2HB   LYS  17          2HB       LYS  17  -9.096  -1.698  -1.083
  143   1HG   LYS  17          2HG       LYS  17 -10.084  -4.116  -0.339
  144   2HG   LYS  17          1HG       LYS  17 -11.042  -2.650  -0.145
  145   1HD   LYS  17          1HD       LYS  17 -12.507  -3.101  -1.884
  146   2HD   LYS  17          2HD       LYS  17 -11.359  -4.134  -2.758
  147   1HE   LYS  17          1HE       LYS  17 -11.962  -6.040  -1.577
  148   2HE   LYS  17          2HE       LYS  17 -11.893  -5.212  -0.013
  149   1HZ   LYS  17          2HZ       LYS  17 -14.086  -4.396  -1.744
  150   2HZ   LYS  17          3HZ       LYS  17 -14.157  -5.975  -1.170
  151   3HZ   LYS  17          1HZ       LYS  17 -14.060  -4.691  -0.088
  152    H    GLU  18           H        GLU  18 -10.632   0.016  -4.495
  153    HA   GLU  18           HA       GLU  18 -12.615   1.130  -2.502
  154   1HB   GLU  18          1HB       GLU  18 -10.627   2.405  -3.822
  155   2HB   GLU  18          2HB       GLU  18 -11.788   2.480  -5.127
  156   1HG   GLU  18          2HG       GLU  18 -13.423   3.645  -3.360
  157   2HG   GLU  18          1HG       GLU  18 -12.015   3.801  -2.340
  158    H    ASN  19           H        ASN  19 -14.155  -0.440  -2.835
  159    HA   ASN  19           HA       ASN  19 -16.182   0.296  -4.831
  160   1HB   ASN  19          2HB       ASN  19 -14.110  -1.353  -5.899
  161   2HB   ASN  19          1HB       ASN  19 -15.318  -2.531  -5.442
  162   1HD2  ASN  19          1HD2      ASN  19 -16.641   0.041  -8.307
  163   2HD2  ASN  19          2HD2      ASN  19 -15.683   0.738  -6.889
  164    H    GLY  20           H        GLY  20 -14.932  -2.538  -3.121
  165   1HA   GLY  20          2HA       GLY  20 -16.135  -3.383  -1.070
  166   2HA   GLY  20          1HA       GLY  20 -17.656  -2.755  -1.738
   
  No H/Q in entry =         166
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1  12.314   0.233   4.208
    2   2H    TYR   1          2H        TYR   1  13.829  -0.457   4.455
    3   3H    TYR   1          3H        TYR   1  13.547   0.491   3.094
    4    HA   TYR   1           HA       TYR   1  12.483  -1.088   1.961
    5   1HB   TYR   1          1HB       TYR   1  14.773  -2.029   2.627
    6   2HB   TYR   1          2HB       TYR   1  14.083  -2.721   4.068
    7    HD1  TYR   1           HD2      TYR   1  12.466  -2.845   0.660
    8    HD2  TYR   1           HD1      TYR   1  14.529  -5.009   3.749
    9    HE1  TYR   1           HE2      TYR   1  11.980  -4.975  -0.492
   10    HE2  TYR   1           HE1      TYR   1  14.041  -7.121   2.593
   11    HH   TYR   1           HH       TYR   1  13.157  -7.345  -0.519
   12    H    SER   2           H        SER   2  12.161  -1.450   5.414
   13    HA   SER   2           HA       SER   2   9.408  -2.630   4.900
   14   1HB   SER   2          2HB       SER   2  11.044  -4.498   5.583
   15   2HB   SER   2          1HB       SER   2  11.338  -3.642   7.088
   16    HG   SER   2           HG       SER   2   9.600  -5.389   6.890
   17    H    ASP   3           H        ASP   3   9.397  -0.174   5.120
   18    HA   ASP   3           HA       ASP   3   7.786   0.338   7.418
   19   1HB   ASP   3          1HB       ASP   3   9.715   0.294   8.924
   20   2HB   ASP   3          2HB       ASP   3  10.744   1.102   7.763
   21    H    GLU   4           H        GLU   4  10.111   1.801   5.243
   22    HA   GLU   4           HA       GLU   4   8.248   4.134   4.826
   23   1HB   GLU   4          2HB       GLU   4  10.753   3.588   3.152
   24   2HB   GLU   4          1HB       GLU   4  10.049   5.128   3.579
   25   1HG   GLU   4          1HG       GLU   4  11.759   5.300   5.108
   26   2HG   GLU   4          2HG       GLU   4  10.797   4.263   6.130
   27    H    LEU   5           H        LEU   5   9.367   1.249   3.223
   28    HA   LEU   5           HA       LEU   5   7.808   1.992   0.745
   29   1HB   LEU   5          1HB       LEU   5   9.830  -0.223   1.430
   30   2HB   LEU   5          2HB       LEU   5   8.802  -0.393   0.020
   31    HG   LEU   5           HG       LEU   5  10.541   2.105   0.366
   32   1HD1  LEU   5          3HD2      LEU   5  12.014   0.002   0.575
   33   2HD1  LEU   5          1HD2      LEU   5  11.481  -0.491  -1.036
   34   3HD1  LEU   5          2HD2      LEU   5  12.409   1.020  -0.831
   35   1HD2  LEU   5          2HD1      LEU   5   8.729   2.050  -1.425
   36   2HD2  LEU   5          3HD1      LEU   5  10.361   2.192  -2.123
   37   3HD2  LEU   5          1HD1      LEU   5   9.507   0.631  -2.150
   38    H    ARG   6           H        ARG   6   7.728  -0.224   3.410
   39    HA   ARG   6           HA       ARG   6   5.678  -1.988   2.365
   40   1HB   ARG   6          2HB       ARG   6   7.192  -2.141   4.555
   41   2HB   ARG   6          1HB       ARG   6   5.937  -1.194   5.334
   42   1HG   ARG   6          1HG       ARG   6   5.151  -3.798   3.880
   43   2HG   ARG   6          2HG       ARG   6   5.836  -3.850   5.501
   44   1HD   ARG   6          1HD       ARG   6   3.967  -2.082   6.141
   45   2HD   ARG   6          2HD       ARG   6   3.223  -2.508   4.578
   46    HE   ARG   6           HE       ARG   6   2.788  -4.736   5.364
   47   1HH1  ARG   6          2HH2      ARG   6   4.605  -2.989   7.752
   48   2HH1  ARG   6          1HH2      ARG   6   4.266  -4.256   9.051
   49   1HH2  ARG   6          1HH1      ARG   6   2.460  -6.060   6.821
   50   2HH2  ARG   6          2HH1      ARG   6   3.102  -5.927   8.551
   51    H    GLN   7           H        GLN   7   5.471   0.998   4.203
   52    HA   GLN   7           HA       GLN   7   2.567   0.963   4.467
   53   1HB   GLN   7          1HB       GLN   7   2.795   3.176   5.325
   54   2HB   GLN   7          2HB       GLN   7   4.322   2.399   5.739
   55   1HG   GLN   7          2HG       GLN   7   5.405   3.542   3.689
   56   2HG   GLN   7          1HG       GLN   7   3.895   4.354   3.358
   57   1HE2  GLN   7          2HE2      GLN   7   5.148   5.963   6.796
   58   2HE2  GLN   7          1HE2      GLN   7   4.607   4.198   6.708
   59    H    ARG   8           H        ARG   8   4.736   2.298   2.061
   60    HA   ARG   8           HA       ARG   8   2.710   3.683   0.496
   61   1HB   ARG   8          1HB       ARG   8   5.480   2.487  -0.136
   62   2HB   ARG   8          2HB       ARG   8   4.504   3.127  -1.445
   63   1HG   ARG   8          2HG       ARG   8   4.358   5.327   0.168
   64   2HG   ARG   8          1HG       ARG   8   5.790   4.633   0.922
   65   1HD   ARG   8          1HD       ARG   8   6.780   5.975  -0.725
   66   2HD   ARG   8          2HD       ARG   8   6.723   4.408  -1.573
   67    HE   ARG   8           HE       ARG   8   4.918   5.190  -2.948
   68   1HH1  ARG   8          2HH2      ARG   8   5.668   7.581  -0.546
   69   2HH1  ARG   8          1HH2      ARG   8   4.663   8.871  -1.401
   70   1HH2  ARG   8          1HH1      ARG   8   3.849   6.635  -3.815
   71   2HH2  ARG   8          2HH1      ARG   8   3.670   8.363  -3.178
   72    H    LEU   9           H        LEU   9   3.761   0.370   0.622
   73    HA   LEU   9           HA       LEU   9   2.299  -0.512  -1.781
   74   1HB   LEU   9          1HB       LEU   9   3.598  -2.329  -1.285
   75   2HB   LEU   9          2HB       LEU   9   3.935  -1.726   0.326
   76    HG   LEU   9           HG       LEU   9   1.515  -2.759   0.909
   77   1HD1  LEU   9          2HD1      LEU   9   0.945  -3.346  -1.468
   78   2HD1  LEU   9          3HD1      LEU   9   2.360  -4.422  -1.565
   79   3HD1  LEU   9          1HD1      LEU   9   1.020  -4.800  -0.456
   80   1HD2  LEU   9          2HD2      LEU   9   4.064  -4.481   0.517
   81   2HD2  LEU   9          3HD2      LEU   9   3.604  -3.569   1.976
   82   3HD2  LEU   9          1HD2      LEU   9   2.641  -4.964   1.480
   83    H    ALA  10           H        ALA  10   1.518  -0.355   1.632
   84    HA   ALA  10           HA       ALA  10  -1.194  -1.373   1.368
   85   1HB   ALA  10          2HB       ALA  10   0.011  -1.093   3.575
   86   2HB   ALA  10          3HB       ALA  10  -0.032   0.677   3.400
   87   3HB   ALA  10          1HB       ALA  10  -1.543  -0.239   3.618
   88    H    ALA  11           H        ALA  11   0.199   1.711   0.650
   89    HA   ALA  11           HA       ALA  11  -2.296   3.199   0.412
   90   1HB   ALA  11          2HB       ALA  11  -0.008   4.276   0.437
   91   2HB   ALA  11          3HB       ALA  11   0.382   3.537  -1.135
   92   3HB   ALA  11          1HB       ALA  11  -0.895   4.771  -1.017
   93    H    ARG  12           H        ARG  12  -0.369   1.595  -2.090
   94    HA   ARG  12           HA       ARG  12  -2.238   2.138  -4.236
   95   1HB   ARG  12          1HB       ARG  12   0.280   0.814  -3.929
   96   2HB   ARG  12          2HB       ARG  12  -0.780  -0.477  -4.464
   97   1HG   ARG  12          1HG       ARG  12  -1.494   1.279  -6.409
   98   2HG   ARG  12          2HG       ARG  12  -0.030   2.133  -5.932
   99   1HD   ARG  12          1HD       ARG  12   0.991  -0.439  -6.159
  100   2HD   ARG  12          2HD       ARG  12  -0.355  -0.537  -7.324
  101    HE   ARG  12           HE       ARG  12   0.576   1.613  -8.379
  102   1HH1  ARG  12          2HH2      ARG  12   2.715  -0.401  -6.530
  103   2HH1  ARG  12          1HH2      ARG  12   4.205   0.227  -7.421
  104   1HH2  ARG  12          1HH1      ARG  12   2.231   2.243  -9.299
  105   2HH2  ARG  12          2HH1      ARG  12   3.948   1.665  -8.927
  106    H    LEU  13           H        LEU  13  -2.038  -0.445  -1.901
  107    HA   LEU  13           HA       LEU  13  -4.092  -2.113  -3.176
  108   1HB   LEU  13          1HB       LEU  13  -3.371  -3.597  -1.601
  109   2HB   LEU  13          2HB       LEU  13  -2.301  -2.361  -0.969
  110    HG   LEU  13           HG       LEU  13  -4.216  -1.605   0.584
  111   1HD1  LEU  13          2HD1      LEU  13  -6.113  -2.634  -0.703
  112   2HD1  LEU  13          3HD1      LEU  13  -5.492  -4.267  -0.356
  113   3HD1  LEU  13          1HD1      LEU  13  -6.082  -3.231   0.966
  114   1HD2  LEU  13          2HD2      LEU  13  -3.129  -4.491   0.909
  115   2HD2  LEU  13          3HD2      LEU  13  -2.373  -2.992   1.502
  116   3HD2  LEU  13          1HD2      LEU  13  -3.899  -3.536   2.206
  117    H    GLU  14           H        GLU  14  -4.158   0.463  -0.858
  118    HA   GLU  14           HA       GLU  14  -6.897   0.035   0.039
  119   1HB   GLU  14          1HB       GLU  14  -4.758   2.065   0.327
  120   2HB   GLU  14          2HB       GLU  14  -6.294   2.870   0.115
  121   1HG   GLU  14          1HG       GLU  14  -5.933   0.674   2.267
  122   2HG   GLU  14          2HG       GLU  14  -5.447   2.321   2.580
  123    H    ALA  15           H        ALA  15  -5.507   1.838  -2.612
  124    HA   ALA  15           HA       ALA  15  -8.024   3.228  -3.276
  125   1HB   ALA  15          2HB       ALA  15  -5.738   4.148  -3.846
  126   2HB   ALA  15          3HB       ALA  15  -5.436   2.782  -4.945
  127   3HB   ALA  15          1HB       ALA  15  -6.706   3.972  -5.322
  128    H    LEU  16           H        LEU  16  -6.496   0.269  -4.286
  129    HA   LEU  16           HA       LEU  16  -8.309  -0.069  -6.614
  130   1HB   LEU  16          1HB       LEU  16  -6.260  -1.884  -5.231
  131   2HB   LEU  16          2HB       LEU  16  -7.295  -2.520  -6.499
  132    HG   LEU  16           HG       LEU  16  -5.266  -0.224  -6.807
  133   1HD1  LEU  16          2HD1      LEU  16  -4.208  -2.483  -6.503
  134   2HD1  LEU  16          3HD1      LEU  16  -5.175  -3.141  -7.846
  135   3HD1  LEU  16          1HD1      LEU  16  -3.956  -1.881  -8.152
  136   1HD2  LEU  16          2HD2      LEU  16  -7.048  -1.565  -8.963
  137   2HD2  LEU  16          3HD2      LEU  16  -7.116   0.132  -8.425
  138   3HD2  LEU  16          1HD2      LEU  16  -5.696  -0.449  -9.302
  139    H    LYS  17           H        LYS  17  -8.203  -1.172  -3.320
  140    HA   LYS  17           HA       LYS  17 -10.585  -2.945  -3.850
  141   1HB   LYS  17          1HB       LYS  17  -8.557  -3.804  -2.536
  142   2HB   LYS  17          2HB       LYS  17  -8.858  -2.595  -1.296
  143   1HG   LYS  17          1HG       LYS  17  -9.797  -5.118  -1.029
  144   2HG   LYS  17          2HG       LYS  17 -10.716  -3.748  -0.411
  145   1HD   LYS  17          1HD       LYS  17 -12.257  -3.868  -2.308
  146   2HD   LYS  17          2HD       LYS  17 -11.161  -4.916  -3.230
  147   1HE   LYS  17          1HE       LYS  17 -11.393  -6.449  -0.921
  148   2HE   LYS  17          2HE       LYS  17 -12.976  -5.658  -0.890
  149   1HZ   LYS  17          1HZ       LYS  17 -13.255  -6.319  -3.249
  150   2HZ   LYS  17          2HZ       LYS  17 -11.824  -7.198  -3.157
  151   3HZ   LYS  17          3HZ       LYS  17 -13.134  -7.620  -2.191
  152    H    GLU  18           H        GLU  18 -10.771  -0.067  -3.901
  153    HA   GLU  18           HA       GLU  18 -12.476   0.463  -1.464
  154   1HB   GLU  18          2HB       GLU  18 -10.767   2.156  -2.258
  155   2HB   GLU  18          1HB       GLU  18 -11.582   2.273  -3.799
  156   1HG   GLU  18          2HG       GLU  18 -13.304   3.671  -2.977
  157   2HG   GLU  18          1HG       GLU  18 -13.339   2.911  -1.406
  158    H    ASN  19           H        ASN  19 -13.341  -1.481  -3.265
  159    HA   ASN  19           HA       ASN  19 -16.109  -0.554  -3.588
  160   1HB   ASN  19          1HB       ASN  19 -15.056   0.603  -5.598
  161   2HB   ASN  19          2HB       ASN  19 -14.445  -0.923  -6.191
  162   1HD2  ASN  19          1HD2      ASN  19 -17.520  -1.638  -7.812
  163   2HD2  ASN  19          2HD2      ASN  19 -15.840  -2.257  -7.359
  164    H    GLY  20           H        GLY  20 -14.045  -2.737  -5.454
  165   1HA   GLY  20          1HA       GLY  20 -15.262  -5.154  -4.145
  166   2HA   GLY  20          2HA       GLY  20 -15.849  -4.872  -5.797
   
  No H/Q in entry =         166
  Start of MODEL    5
    1   1H    TYR   1          2H        TYR   1  14.383  -4.846   5.786
    2   2H    TYR   1          3H        TYR   1  15.523  -4.476   6.967
    3   3H    TYR   1          1H        TYR   1  13.952  -4.881   7.412
    4    HA   TYR   1           HA       TYR   1  13.660  -2.710   7.587
    5   1HB   TYR   1          1HB       TYR   1  15.065  -1.036   6.301
    6   2HB   TYR   1          2HB       TYR   1  16.065  -2.101   7.246
    7    HD1  TYR   1           HD1      TYR   1  15.632  -4.502   5.075
    8    HD2  TYR   1           HD2      TYR   1  17.074  -0.454   4.939
    9    HE1  TYR   1           HE1      TYR   1  17.026  -5.062   3.133
   10    HE2  TYR   1           HE2      TYR   1  18.474  -1.031   2.988
   11    HH   TYR   1           HH       TYR   1  18.087  -3.880   1.228
   12    H    SER   2           H        SER   2  11.774  -2.357   6.938
   13    HA   SER   2           HA       SER   2  11.230  -1.508   4.166
   14   1HB   SER   2          1HB       SER   2  10.718  -4.369   4.911
   15   2HB   SER   2          2HB       SER   2   9.305  -3.585   4.225
   16    HG   SER   2           HG       SER   2  10.379  -4.275   2.489
   17    H    ASP   3           H        ASP   3  10.866   0.130   5.828
   18    HA   ASP   3           HA       ASP   3   8.204  -0.232   7.187
   19   1HB   ASP   3          1HB       ASP   3  10.677   0.964   8.051
   20   2HB   ASP   3          2HB       ASP   3   9.650   2.343   7.725
   21    H    GLU   4           H        GLU   4   9.811   1.713   4.811
   22    HA   GLU   4           HA       GLU   4   7.433   3.555   4.633
   23   1HB   GLU   4          2HB       GLU   4   9.581   3.860   2.578
   24   2HB   GLU   4          1HB       GLU   4   8.905   5.055   3.658
   25   1HG   GLU   4          1HG       GLU   4  10.673   4.922   5.137
   26   2HG   GLU   4          2HG       GLU   4  10.647   3.178   5.190
   27    H    LEU   5           H        LEU   5   9.086   1.119   2.725
   28    HA   LEU   5           HA       LEU   5   7.402   1.659   0.335
   29   1HB   LEU   5          1HB       LEU   5   9.360  -0.626   1.038
   30   2HB   LEU   5          2HB       LEU   5   8.474  -0.588  -0.474
   31    HG   LEU   5           HG       LEU   5   9.984   1.939   0.033
   32   1HD1  LEU   5          2HD1      LEU   5  11.532   0.330   1.186
   33   2HD1  LEU   5          3HD1      LEU   5  11.568  -0.708  -0.261
   34   3HD1  LEU   5          1HD1      LEU   5  12.252   0.935  -0.318
   35   1HD2  LEU   5          2HD2      LEU   5   9.956  -0.080  -2.322
   36   2HD2  LEU   5          3HD2      LEU   5   9.053   1.451  -2.217
   37   3HD2  LEU   5          1HD2      LEU   5  10.816   1.485  -2.327
   38    H    ARG   6           H        ARG   6   7.254  -0.481   3.048
   39    HA   ARG   6           HA       ARG   6   5.142  -2.190   1.953
   40   1HB   ARG   6          2HB       ARG   6   6.675  -2.455   4.131
   41   2HB   ARG   6          1HB       ARG   6   5.450  -1.492   4.939
   42   1HG   ARG   6          1HG       ARG   6   3.654  -3.202   4.344
   43   2HG   ARG   6          2HG       ARG   6   4.862  -4.174   3.509
   44   1HD   ARG   6          1HD       ARG   6   4.429  -5.037   5.814
   45   2HD   ARG   6          2HD       ARG   6   6.122  -4.498   5.665
   46    HE   ARG   6           HE       ARG   6   5.688  -2.677   7.131
   47   1HH1  ARG   6          2HH2      ARG   6   2.654  -4.105   6.234
   48   2HH1  ARG   6          1HH2      ARG   6   1.729  -3.124   7.495
   49   1HH2  ARG   6          1HH1      ARG   6   4.622  -1.653   8.471
   50   2HH2  ARG   6          2HH1      ARG   6   2.793  -1.789   8.714
   51    H    GLN   7           H        GLN   7   5.124   0.779   3.824
   52    HA   GLN   7           HA       GLN   7   2.225   1.038   3.969
   53   1HB   GLN   7          1HB       GLN   7   4.481   3.145   3.918
   54   2HB   GLN   7          2HB       GLN   7   2.795   3.556   4.221
   55   1HG   GLN   7          2HG       GLN   7   3.508   1.414   6.099
   56   2HG   GLN   7          1HG       GLN   7   4.823   2.563   6.131
   57   1HE2  GLN   7          2HE2      GLN   7   1.906   4.929   7.239
   58   2HE2  GLN   7          1HE2      GLN   7   2.439   4.609   5.498
   59    H    ARG   8           H        ARG   8   4.571   1.864   1.526
   60    HA   ARG   8           HA       ARG   8   2.698   3.395  -0.158
   61   1HB   ARG   8          1HB       ARG   8   5.411   2.006  -0.621
   62   2HB   ARG   8          2HB       ARG   8   4.521   2.633  -1.996
   63   1HG   ARG   8          2HG       ARG   8   4.519   4.810  -0.107
   64   2HG   ARG   8          1HG       ARG   8   6.121   4.103   0.075
   65   1HD   ARG   8          1HD       ARG   8   6.714   4.463  -2.230
   66   2HD   ARG   8          2HD       ARG   8   5.019   4.699  -2.728
   67    HE   ARG   8           HE       ARG   8   4.984   6.875  -1.590
   68   1HH1  ARG   8          2HH2      ARG   8   8.138   5.424  -1.596
   69   2HH1  ARG   8          1HH2      ARG   8   8.965   7.032  -1.223
   70   1HH2  ARG   8          1HH1      ARG   8   5.948   8.575  -1.184
   71   2HH2  ARG   8          2HH1      ARG   8   7.780   8.748  -0.997
   72    H    LEU   9           H        LEU   9   3.466   0.036   0.251
   73    HA   LEU   9           HA       LEU   9   2.093  -0.879  -2.182
   74   1HB   LEU   9          1HB       LEU   9   3.238  -2.743  -1.503
   75   2HB   LEU   9          2HB       LEU   9   3.495  -2.079   0.099
   76    HG   LEU   9           HG       LEU   9   0.992  -2.921   0.564
   77   1HD1  LEU   9          3HD2      LEU   9   0.624  -3.655  -1.881
   78   2HD1  LEU   9          1HD2      LEU   9   1.842  -4.914  -1.649
   79   3HD1  LEU   9          2HD2      LEU   9   0.337  -4.946  -0.688
   80   1HD2  LEU   9          2HD1      LEU   9   3.137  -3.714   1.678
   81   2HD2  LEU   9          3HD1      LEU   9   1.966  -5.036   1.451
   82   3HD2  LEU   9          1HD1      LEU   9   3.370  -4.885   0.368
   83    H    ALA  10           H        ALA  10   1.100  -0.472   1.151
   84    HA   ALA  10           HA       ALA  10  -1.612  -1.460   0.755
   85   1HB   ALA  10          2HB       ALA  10  -0.531  -1.152   3.023
   86   2HB   ALA  10          3HB       ALA  10  -0.527   0.614   2.806
   87   3HB   ALA  10          1HB       ALA  10  -2.067  -0.266   2.956
   88    H    ALA  11           H        ALA  11  -0.118   1.594   0.091
   89    HA   ALA  11           HA       ALA  11  -2.631   3.099  -0.160
   90   1HB   ALA  11          2HB       ALA  11  -0.381   4.191   0.223
   91   2HB   ALA  11          3HB       ALA  11   0.184   3.639  -1.372
   92   3HB   ALA  11          1HB       ALA  11  -1.126   4.838  -1.251
   93    H    ARG  12           H        ARG  12  -0.575   1.405  -2.454
   94    HA   ARG  12           HA       ARG  12  -2.158   2.161  -4.812
   95   1HB   ARG  12          1HB       ARG  12   0.255   0.696  -4.268
   96   2HB   ARG  12          2HB       ARG  12  -0.811  -0.508  -4.968
   97   1HG   ARG  12          2HG       ARG  12  -1.214   1.410  -6.866
   98   2HG   ARG  12          1HG       ARG  12   0.300   2.069  -6.253
   99   1HD   ARG  12          1HD       ARG  12   0.686  -0.806  -6.582
  100   2HD   ARG  12          2HD       ARG  12  -0.061  -0.163  -8.067
  101    HE   ARG  12           HE       ARG  12   2.652   0.394  -7.079
  102   1HH1  ARG  12          2HH2      ARG  12   0.066   1.883  -8.852
  103   2HH1  ARG  12          1HH2      ARG  12   1.219   3.025  -9.731
  104   1HH2  ARG  12          1HH1      ARG  12   3.837   1.662  -8.065
  105   2HH2  ARG  12          2HH1      ARG  12   3.271   2.909  -9.309
  106    H    LEU  13           H        LEU  13  -2.216  -0.534  -2.574
  107    HA   LEU  13           HA       LEU  13  -4.419  -1.904  -3.977
  108   1HB   LEU  13          1HB       LEU  13  -3.049  -2.199  -1.253
  109   2HB   LEU  13          2HB       LEU  13  -4.588  -3.001  -1.494
  110    HG   LEU  13           HG       LEU  13  -2.390  -3.486  -3.542
  111   1HD1  LEU  13          3HD2      LEU  13  -1.319  -3.769  -1.214
  112   2HD1  LEU  13          1HD2      LEU  13  -2.510  -5.024  -0.858
  113   3HD1  LEU  13          2HD2      LEU  13  -1.341  -5.262  -2.186
  114   1HD2  LEU  13          2HD1      LEU  13  -4.736  -4.425  -3.836
  115   2HD2  LEU  13          3HD1      LEU  13  -3.507  -5.707  -3.718
  116   3HD2  LEU  13          1HD1      LEU  13  -4.549  -5.332  -2.324
  117    H    GLU  14           H        GLU  14  -4.291   0.719  -1.810
  118    HA   GLU  14           HA       GLU  14  -6.947   0.378  -0.639
  119   1HB   GLU  14          1HB       GLU  14  -5.116   1.891   0.256
  120   2HB   GLU  14          2HB       GLU  14  -5.275   2.931  -1.138
  121   1HG   GLU  14          1HG       GLU  14  -7.605   3.607  -0.412
  122   2HG   GLU  14          2HG       GLU  14  -7.558   2.483   0.923
  123    H    ALA  15           H        ALA  15  -5.767   1.993  -3.515
  124    HA   ALA  15           HA       ALA  15  -8.230   3.474  -4.074
  125   1HB   ALA  15          2HB       ALA  15  -5.986   4.042  -5.094
  126   2HB   ALA  15          3HB       ALA  15  -5.983   2.509  -5.998
  127   3HB   ALA  15          1HB       ALA  15  -7.183   3.769  -6.375
  128    H    LEU  16           H        LEU  16  -7.073   0.302  -5.002
  129    HA   LEU  16           HA       LEU  16  -9.444  -0.147  -6.757
  130   1HB   LEU  16          1HB       LEU  16  -7.223  -2.067  -5.829
  131   2HB   LEU  16          2HB       LEU  16  -8.462  -2.498  -6.994
  132    HG   LEU  16           HG       LEU  16  -6.636  -0.113  -7.562
  133   1HD1  LEU  16          2HD1      LEU  16  -5.114  -1.994  -6.885
  134   2HD1  LEU  16          3HD1      LEU  16  -5.892  -3.077  -8.065
  135   3HD1  LEU  16          1HD1      LEU  16  -4.973  -1.657  -8.620
  136   1HD2  LEU  16          2HD2      LEU  16  -8.045  -2.175  -9.401
  137   2HD2  LEU  16          3HD2      LEU  16  -8.492  -0.466  -9.173
  138   3HD2  LEU  16          1HD2      LEU  16  -6.966  -0.870  -9.966
  139    H    LYS  17           H        LYS  17  -8.520  -0.857  -3.512
  140    HA   LYS  17           HA       LYS  17 -10.392  -3.122  -3.188
  141   1HB   LYS  17          1HB       LYS  17  -8.564  -3.135  -1.647
  142   2HB   LYS  17          2HB       LYS  17  -8.650  -1.410  -1.323
  143   1HG   LYS  17          1HG       LYS  17  -9.434  -2.682   0.670
  144   2HG   LYS  17          2HG       LYS  17 -10.779  -1.750   0.017
  145   1HD   LYS  17          1HD       LYS  17 -11.444  -3.989  -1.213
  146   2HD   LYS  17          2HD       LYS  17 -10.219  -4.774  -0.197
  147   1HE   LYS  17          1HE       LYS  17 -11.569  -3.220   1.722
  148   2HE   LYS  17          2HE       LYS  17 -12.902  -3.620   0.628
  149   1HZ   LYS  17          2HZ       LYS  17 -11.058  -5.793   1.293
  150   2HZ   LYS  17          3HZ       LYS  17 -12.094  -5.261   2.505
  151   3HZ   LYS  17          1HZ       LYS  17 -12.721  -5.820   1.048
  152    H    GLU  18           H        GLU  18 -10.924   0.169  -3.471
  153    HA   GLU  18           HA       GLU  18 -13.186   0.224  -1.489
  154   1HB   GLU  18          2HB       GLU  18 -11.455   2.155  -2.081
  155   2HB   GLU  18          1HB       GLU  18 -12.422   2.410  -3.515
  156   1HG   GLU  18          1HG       GLU  18 -12.907   3.949  -1.450
  157   2HG   GLU  18          2HG       GLU  18 -14.285   3.314  -2.312
  158    H    ASN  19           H        ASN  19 -14.489  -1.321  -2.337
  159    HA   ASN  19           HA       ASN  19 -16.511  -0.274  -4.184
  160   1HB   ASN  19          1HB       ASN  19 -14.597  -0.904  -5.821
  161   2HB   ASN  19          2HB       ASN  19 -14.747  -2.572  -5.320
  162   1HD2  ASN  19          1HD2      ASN  19 -16.768  -1.827  -8.442
  163   2HD2  ASN  19          2HD2      ASN  19 -15.068  -1.301  -7.945
  164    H    GLY  20           H        GLY  20 -15.032  -3.336  -3.210
  165   1HA   GLY  20          1HA       GLY  20 -16.971  -4.161  -1.315
  166   2HA   GLY  20          2HA       GLY  20 -17.702  -4.647  -2.859