*HEADER   LIPID TRANSPORT                         02-MAR-96   1ODP              
*TITLE    PEPTIDE OF HUMAN APOA-I RESIDUES 166 - 185.  NMR,                     
*TITLE   2 5 STRUCTURES AT PH 6.6, 37 DEGREES CELSIUS AND PEPTIDE:SDS           
*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 1ODP    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_9:HD2*    1:LEU_9:HD1*    1:LEU_9:CD2     1:LEU_9:CD1     1:LEU_9: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         3.510  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:GLN_7:HN         1:ARG+_8:HN         1.800  2.500  2.500 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: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        3.510  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        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:LYS+_17:HA        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:LYS+_17:HA        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:LYS+_17:HA        2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_14:HA        3.510  5.000  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  3.570  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:HD*        3.510  7.400  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  3.700  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HB1       1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HG2       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HG1       3.510  5.000  5.000 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  3.680  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ARG+_6:HB1        2.510  3.680  3.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_18:HB2       1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:GLU-_18:HN       1:GLU-_18:HB1       1.800  2.500  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  2.500  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU-_14:HN        1.800  2.500  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:HG2       2.510  3.550  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HG1       2.510  3.600  3.387 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HB1       3.510  5.200  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HB2       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HE        1:ARG+_8:HB1        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HE        1:ARG+_8:HB2        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HD1       1.800  2.920  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HD2       1.800  2.990  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HA        3.510  5.300  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HN         1.800  2.500  2.500 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:ARG+_8:HN        1:LEU_9:HN          1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:GLU-_18:HN        1.800  2.700  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: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  2.500  2.500 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:LYS+_17:HD*      1:GLU-_14:HA        2.510  4.540  3.388 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:HG1        2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:GLU-_4:HG2        2.510  3.650  3.500 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:ASP-_3:HB*        1.800  3.800  2.500 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:ASP-_3:HB*        1.800  3.750  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  2.500  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:HB2       1:ARG+_8:HA         1.800  3.020  2.500 32.00 32.00 100.000  0.00
1:ARG+_8:HE        1:ARG+_8:HA         3.510  5.200  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLU-_4:HB*        1.800  3.850  3.389 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:GLU-_4:HB*        1.800  3.850  2.503 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HB1        1.800  2.630  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HB2        1.800  2.600  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HD1      1:ARG+_12:HA        2.510  3.650  3.385 32.00 32.00 100.000  0.00
1:ARG+_12:HD2      1:ARG+_12:HA        2.510  3.550  3.385 32.00 32.00 100.000  0.00
1:ARG+_12:HB2      1:ARG+_12:HA        1.800  2.850  2.500 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  2.390 32.00 32.00 100.000  0.00
1:ASN_19:HB2       1:ASN_19:HA         2.510  3.500  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HB1       1:ASN_19:HA         2.510  3.500  3.389 32.00 32.00 100.000  0.00
1:GLU-_4:HG1       1:GLU-_4:HA         2.510  3.900  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          1.800  4.000  2.500 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         1.800  3.880  2.500 32.00 32.00 100.000  0.00
1:LEU_9:HG         1:ARG+_6:HA         2.510  3.670  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HB*        1.800  3.570  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HG         2.510  3.650  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HG        1:LEU_16:HA         2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HB*       1:LEU_16:HA         1.800  3.500  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         3.410  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: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  7.000  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:SER_2:HB2         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:SER_2:HB2         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:LEU_13:HB*        1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:LEU_13:HG         2.510  3.510  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:LEU_13:HD*        3.510  7.400  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:HB1       1.800  2.550  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:GLU-_14:HB2       1.800  2.500  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:HD*       1:LEU_5:HA          3.510  6.000  5.000 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: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:HG*        2.510  4.500  3.501 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ARG+_8:HB1        1.800  2.520  2.500 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ARG+_8:HB2        1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HB*         1.800  3.700  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HB2       1.800  2.780  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:ALA_15:HA         1.800  2.890  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HE        1:ARG+_6:HA         3.510  5.030  5.000 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:ALA_10:HN         1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HB2      1:GLU-_14:HA        1.800  2.910  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HG1      1:GLU-_14:HA        2.510  3.510  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HG2      1:GLU-_14:HA        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLU-_14:HB1      1:GLU-_14:HA        1.800  3.030  2.342 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLU-_4:HN         1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HB*         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HG          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:LEU_9:HD2*        3.510  6.500  5.000 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  3.100  2.500 32.00 32.00 100.000  0.00
1:GLU-_4:HG2       1:GLU-_4:HA         2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ASP-_3:HA         3.510  5.150  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:HG1      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        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HD1       3.510  5.340  4.920 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HD2       3.510  5.340  4.920 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:GLU-_4:HB*       1:GLU-_4:HA         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:GLN_7:HB*        1:GLU-_4:HA         2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HB1       1:ASP-_3:HA         3.510  5.000  5.000 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:HN        1:LEU_5:HD2*        3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HD1*        3.510  6.500  6.301 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:LEU_9:HD1*        3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:LEU_9:HD2*        2.510  5.080  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HD*        2.510  5.900  4.739 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:HB1        1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:ARG+_12:HB1       1.800  2.590  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:ARG+_12:HB2       2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ALA_11:HB*        1.800  4.000  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:HN        1:GLU-_14:HA        3.510  5.200  5.000 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:ALA_15:HB*        1.800  4.300  2.500 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  5.500  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:ASP-_3:HA         3.510  7.400  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:TYRN_1:HE*       1:TYRN_1:HB2        3.510  7.000  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:ASP-_3:HA         3.510  7.300  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:ASP-_3:HB*        3.510  9.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_4:HN        1:SER_2:HA          3.510  5.500  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:HD*      1:LYS+_17:HE*       1.800  4.500  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HG2       2.510  3.970  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HG1       1.800  2.600  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HB*        3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HG         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HD*        3.510  7.400  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU-_14:HB2       2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU-_14:HB1       1.800  2.550  2.500 32.00 32.00 100.000  0.00
1:GLU-_14:HN       1:GLU-_14:HG1       3.510  5.000  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:HG2      1:ALA_11:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU-_14:HB2      1:ALA_11:HA         2.510  3.500  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:LEU_9: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  2.500  2.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ALA_11:HA         1.800  2.900  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:GLU-_4:HN        1:ARG+_6:HN         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HB2      1:LEU_9:HA          2.510  3.950  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: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:HB*         3.510  8.850  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:LEU_5:HD1*        3.510  9.550  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:LEU_5:HD2*        3.510  9.550  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          1H        TYR   1   2.038  13.389   6.329
    2   2H    TYR   1          2H        TYR   1   2.510  13.349   4.716
    3   3H    TYR   1          3H        TYR   1   0.906  13.658   5.115
    4    HA   TYR   1           HA       TYR   1   0.394  11.539   5.568
    5   1HB   TYR   1          2HB       TYR   1   1.581  10.028   3.911
    6   2HB   TYR   1          1HB       TYR   1   1.090  11.519   3.161
    7    HD1  TYR   1           HD1      TYR   1   3.989   9.576   4.465
    8    HD2  TYR   1           HD2      TYR   1   2.813  13.098   2.299
    9    HE1  TYR   1           HE1      TYR   1   6.296   9.860   3.670
   10    HE2  TYR   1           HE2      TYR   1   5.137  13.378   1.513
   11    HH   TYR   1           HH       TYR   1   7.444  10.959   1.722
   12    H    SER   2           H        SER   2   3.828  12.140   5.897
   13    HA   SER   2           HA       SER   2   5.435  11.137   7.327
   14   1HB   SER   2          1HB       SER   2   3.264  11.326   8.953
   15   2HB   SER   2          2HB       SER   2   3.329   9.572   8.911
   16    HG   SER   2           HG       SER   2   4.928   9.708  10.258
   17    H    ASP   3           H        ASP   3   6.741   9.738   6.738
   18    HA   ASP   3           HA       ASP   3   6.575   8.029   4.721
   19   1HB   ASP   3          1HB       ASP   3   8.515   8.457   6.623
   20   2HB   ASP   3          2HB       ASP   3   8.039   6.862   7.161
   21    H    GLU   4           H        GLU   4   5.479   6.819   7.872
   22    HA   GLU   4           HA       GLU   4   5.487   4.019   6.934
   23   1HB   GLU   4          1HB       GLU   4   4.707   3.486   9.127
   24   2HB   GLU   4          2HB       GLU   4   5.715   4.894   9.362
   25   1HG   GLU   4          1HG       GLU   4   3.638   6.365   9.514
   26   2HG   GLU   4          2HG       GLU   4   2.612   4.983   9.232
   27    H    LEU   5           H        LEU   5   3.056   6.513   7.231
   28    HA   LEU   5           HA       LEU   5   0.772   4.682   6.878
   29   1HB   LEU   5          1HB       LEU   5   1.164   7.710   6.758
   30   2HB   LEU   5          2HB       LEU   5  -0.283   7.059   6.013
   31    HG   LEU   5           HG       LEU   5   0.433   6.423   8.928
   32   1HD1  LEU   5          3HD2      LEU   5   0.272   8.970   8.561
   33   2HD1  LEU   5          1HD2      LEU   5  -1.392   8.750   8.009
   34   3HD1  LEU   5          2HD2      LEU   5  -0.948   8.324   9.686
   35   1HD2  LEU   5          2HD1      LEU   5  -1.315   4.993   7.756
   36   2HD2  LEU   5          3HD1      LEU   5  -2.000   5.914   9.118
   37   3HD2  LEU   5          1HD1      LEU   5  -2.277   6.449   7.443
   38    H    ARG   6           H        ARG   6   2.861   6.406   4.724
   39    HA   ARG   6           HA       ARG   6   1.225   5.968   2.321
   40   1HB   ARG   6          2HB       ARG   6   3.176   7.658   2.640
   41   2HB   ARG   6          1HB       ARG   6   4.293   6.312   2.514
   42   1HG   ARG   6          1HG       ARG   6   4.348   6.672   0.238
   43   2HG   ARG   6          2HG       ARG   6   2.750   5.935   0.177
   44   1HD   ARG   6          1HD       ARG   6   1.798   8.343   0.661
   45   2HD   ARG   6          2HD       ARG   6   3.448   8.933   0.337
   46    HE   ARG   6           HE       ARG   6   1.691   7.421  -1.631
   47   1HH1  ARG   6          2HH2      ARG   6   4.483   9.404  -1.068
   48   2HH1  ARG   6          1HH2      ARG   6   4.760   9.666  -2.874
   49   1HH2  ARG   6          2HH1      ARG   6   3.444   8.765  -4.237
   50   2HH2  ARG   6          1HH1      ARG   6   2.055   7.745  -3.566
   51    H    GLN   7           H        GLN   7   3.864   4.221   3.834
   52    HA   GLN   7           HA       GLN   7   4.100   2.162   1.762
   53   1HB   GLN   7          1HB       GLN   7   4.914   2.451   4.694
   54   2HB   GLN   7          2HB       GLN   7   4.994   0.847   3.967
   55   1HG   GLN   7          2HG       GLN   7   6.404   3.238   2.602
   56   2HG   GLN   7          1HG       GLN   7   7.163   2.442   3.959
   57   1HE2  GLN   7          2HE2      GLN   7   7.891  -0.546   1.991
   58   2HE2  GLN   7          1HE2      GLN   7   7.120  -0.128   3.620
   59    H    ARG   8           H        ARG   8   1.960   2.681   4.423
   60    HA   ARG   8           HA       ARG   8   0.887  -0.062   4.556
   61   1HB   ARG   8          2HB       ARG   8   0.649   1.772   6.350
   62   2HB   ARG   8          1HB       ARG   8  -0.421   2.658   5.281
   63   1HG   ARG   8          1HG       ARG   8  -1.119  -0.232   6.165
   64   2HG   ARG   8          2HG       ARG   8  -1.529   1.167   7.152
   65   1HD   ARG   8          1HD       ARG   8  -2.334   1.096   4.183
   66   2HD   ARG   8          2HD       ARG   8  -3.287   0.206   5.399
   67    HE   ARG   8           HE       ARG   8  -3.012   3.174   5.145
   68   1HH1  ARG   8          2HH2      ARG   8  -4.043   0.588   7.218
   69   2HH1  ARG   8          1HH2      ARG   8  -5.116   1.710   8.216
   70   1HH2  ARG   8          1HH1      ARG   8  -4.192   4.326   6.270
   71   2HH2  ARG   8          2HH1      ARG   8  -5.201   3.743   7.707
   72    H    LEU   9           H        LEU   9   0.038   2.865   2.822
   73    HA   LEU   9           HA       LEU   9  -2.315   1.724   1.470
   74   1HB   LEU   9          1HB       LEU   9  -0.425   4.060   0.761
   75   2HB   LEU   9          2HB       LEU   9  -1.759   3.608  -0.282
   76    HG   LEU   9           HG       LEU   9  -2.067   4.523   2.640
   77   1HD1  LEU   9          3HD2      LEU   9  -1.258   6.355   1.017
   78   2HD1  LEU   9          1HD2      LEU   9  -2.738   6.127   0.078
   79   3HD1  LEU   9          2HD2      LEU   9  -2.837   6.701   1.766
   80   1HD2  LEU   9          2HD1      LEU   9  -3.909   2.985   1.793
   81   2HD2  LEU   9          3HD1      LEU   9  -4.508   4.625   2.141
   82   3HD2  LEU   9          1HD1      LEU   9  -4.220   4.112   0.460
   83    H    ALA  10           H        ALA  10   1.094   1.618   0.915
   84    HA   ALA  10           HA       ALA  10   0.913   0.487  -1.789
   85   1HB   ALA  10          2HB       ALA  10   3.002   1.578  -0.878
   86   2HB   ALA  10          3HB       ALA  10   3.170   0.296   0.344
   87   3HB   ALA  10          1HB       ALA  10   3.362  -0.083  -1.385
   88    H    ALA  11           H        ALA  11   0.724  -0.812   1.416
   89    HA   ALA  11           HA       ALA  11   1.146  -3.610   0.630
   90   1HB   ALA  11          2HB       ALA  11   1.482  -2.764   2.987
   91   2HB   ALA  11          3HB       ALA  11  -0.253  -2.394   3.128
   92   3HB   ALA  11          1HB       ALA  11   0.294  -4.082   2.982
   93    H    ARG  12           H        ARG  12  -1.586  -1.486   0.693
   94    HA   ARG  12           HA       ARG  12  -3.588  -3.639   0.273
   95   1HB   ARG  12          2HB       ARG  12  -4.130  -1.315   1.201
   96   2HB   ARG  12          1HB       ARG  12  -3.686  -0.594  -0.333
   97   1HG   ARG  12          2HG       ARG  12  -5.995  -0.670  -0.654
   98   2HG   ARG  12          1HG       ARG  12  -5.577  -2.213  -1.394
   99   1HD   ARG  12          2HD       ARG  12  -6.447  -3.501   0.370
  100   2HD   ARG  12          1HD       ARG  12  -6.175  -2.238   1.599
  101    HE   ARG  12           HE       ARG  12  -8.535  -2.542  -0.127
  102   1HH1  ARG  12          2HH2      ARG  12  -6.697  -0.168   1.613
  103   2HH1  ARG  12          1HH2      ARG  12  -8.110   1.019   1.646
  104   1HH2  ARG  12          1HH1      ARG  12  -9.972  -1.147  -0.179
  105   2HH2  ARG  12          2HH1      ARG  12  -9.892   0.495   0.668
  106    H    LEU  13           H        LEU  13  -2.042  -1.215  -1.765
  107    HA   LEU  13           HA       LEU  13  -3.003  -2.110  -4.325
  108   1HB   LEU  13          1HB       LEU  13  -1.695  -0.109  -4.368
  109   2HB   LEU  13          2HB       LEU  13  -0.426  -0.783  -3.363
  110    HG   LEU  13           HG       LEU  13   0.240  -2.274  -5.373
  111   1HD1  LEU  13          2HD1      LEU  13  -1.909  -2.063  -6.657
  112   2HD1  LEU  13          3HD1      LEU  13  -1.623  -0.322  -6.895
  113   3HD1  LEU  13          1HD1      LEU  13  -0.532  -1.519  -7.633
  114   1HD2  LEU  13          2HD2      LEU  13   0.487   0.805  -5.664
  115   2HD2  LEU  13          3HD2      LEU  13   1.610  -0.281  -4.807
  116   3HD2  LEU  13          1HD2      LEU  13   1.463  -0.389  -6.564
  117    H    GLU  14           H        GLU  14  -0.659  -3.520  -2.213
  118    HA   GLU  14           HA       GLU  14   0.637  -5.203  -4.242
  119   1HB   GLU  14          2HB       GLU  14   1.553  -4.527  -1.932
  120   2HB   GLU  14          1HB       GLU  14   0.403  -5.615  -1.197
  121   1HG   GLU  14          2HG       GLU  14   1.532  -7.608  -2.362
  122   2HG   GLU  14          1HG       GLU  14   2.688  -6.520  -3.087
  123    H    ALA  15           H        ALA  15  -2.001  -5.628  -1.976
  124    HA   ALA  15           HA       ALA  15  -2.348  -8.496  -2.473
  125   1HB   ALA  15          2HB       ALA  15  -3.214  -7.334  -0.407
  126   2HB   ALA  15          3HB       ALA  15  -4.347  -6.374  -1.388
  127   3HB   ALA  15          1HB       ALA  15  -4.553  -8.137  -1.249
  128    H    LEU  16           H        LEU  16  -3.549  -5.594  -3.955
  129    HA   LEU  16           HA       LEU  16  -5.622  -7.029  -5.526
  130   1HB   LEU  16          1HB       LEU  16  -4.480  -4.162  -5.681
  131   2HB   LEU  16          2HB       LEU  16  -5.708  -4.734  -6.792
  132    HG   LEU  16           HG       LEU  16  -5.968  -4.274  -3.773
  133   1HD1  LEU  16          3HD2      LEU  16  -6.324  -2.315  -5.410
  134   2HD1  LEU  16          1HD2      LEU  16  -7.694  -3.188  -6.103
  135   3HD1  LEU  16          2HD2      LEU  16  -7.742  -2.674  -4.394
  136   1HD2  LEU  16          2HD1      LEU  16  -7.074  -6.483  -4.386
  137   2HD2  LEU  16          3HD1      LEU  16  -8.256  -5.260  -3.859
  138   3HD2  LEU  16          1HD1      LEU  16  -8.066  -5.638  -5.588
  139    H    LYS  17           H        LYS  17  -2.330  -6.105  -6.017
  140    HA   LYS  17           HA       LYS  17  -2.524  -6.470  -8.966
  141   1HB   LYS  17          1HB       LYS  17  -0.223  -5.710  -9.025
  142   2HB   LYS  17          2HB       LYS  17  -0.980  -4.779  -7.738
  143   1HG   LYS  17          2HG       LYS  17   0.658  -5.513  -6.300
  144   2HG   LYS  17          1HG       LYS  17   0.020  -7.150  -6.424
  145   1HD   LYS  17          1HD       LYS  17   1.705  -6.552  -8.760
  146   2HD   LYS  17          2HD       LYS  17   2.580  -6.326  -7.233
  147   1HE   LYS  17          1HE       LYS  17   2.341  -8.585  -6.558
  148   2HE   LYS  17          2HE       LYS  17   0.787  -8.798  -7.380
  149   1HZ   LYS  17          3HZ       LYS  17   3.071  -8.236  -9.108
  150   2HZ   LYS  17          1HZ       LYS  17   3.059  -9.733  -8.343
  151   3HZ   LYS  17          2HZ       LYS  17   1.773  -9.283  -9.329
  152    H    GLU  18           H        GLU  18  -2.073  -8.549  -6.352
  153    HA   GLU  18           HA       GLU  18  -0.403 -10.605  -7.238
  154   1HB   GLU  18          1HB       GLU  18  -1.759 -10.741  -5.179
  155   2HB   GLU  18          2HB       GLU  18  -3.256 -10.743  -6.079
  156   1HG   GLU  18          1HG       GLU  18  -2.938 -13.068  -6.829
  157   2HG   GLU  18          2HG       GLU  18  -1.245 -13.078  -6.407
  158    H    ASN  19           H        ASN  19  -3.802 -11.186  -7.883
  159    HA   ASN  19           HA       ASN  19  -3.295 -12.787 -10.225
  160   1HB   ASN  19          1HB       ASN  19  -5.689 -11.482  -8.942
  161   2HB   ASN  19          2HB       ASN  19  -5.881 -11.651 -10.671
  162   1HD2  ASN  19          1HD2      ASN  19  -5.663 -15.372 -10.141
  163   2HD2  ASN  19          2HD2      ASN  19  -4.571 -14.173 -11.026
  164    H    GLY  20           H        GLY  20  -4.892  -9.636 -10.354
  165   1HA   GLY  20          1HA       GLY  20  -3.371  -9.128 -12.970
  166   2HA   GLY  20          2HA       GLY  20  -5.123  -8.858 -12.867
   
  No H/Q in entry =         166
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1   4.827  12.111   4.761
    2   2H    TYR   1          2H        TYR   1   3.990  13.284   3.891
    3   3H    TYR   1          3H        TYR   1   4.211  13.464   5.548
    4    HA   TYR   1           HA       TYR   1   2.038  12.826   5.354
    5   1HB   TYR   1          1HB       TYR   1   2.402  10.174   3.992
    6   2HB   TYR   1          2HB       TYR   1   1.316  11.413   3.441
    7    HD1  TYR   1           HD2      TYR   1   4.651   9.950   2.975
    8    HD2  TYR   1           HD1      TYR   1   1.989  13.089   1.733
    9    HE1  TYR   1           HE2      TYR   1   6.037  10.348   0.974
   10    HE2  TYR   1           HE1      TYR   1   3.381  13.481  -0.252
   11    HH   TYR   1           HH       TYR   1   5.871  13.075  -0.857
   12    H    SER   2           H        SER   2   4.482  12.130   6.871
   13    HA   SER   2           HA       SER   2   4.774  10.953   8.907
   14   1HB   SER   2          2HB       SER   2   2.033  11.130   8.787
   15   2HB   SER   2          1HB       SER   2   2.181   9.389   8.605
   16    HG   SER   2           HG       SER   2   2.018  10.107  10.799
   17    H    ASP   3           H        ASP   3   5.685  10.022   6.419
   18    HA   ASP   3           HA       ASP   3   6.832   8.159   5.579
   19   1HB   ASP   3          1HB       ASP   3   7.763   6.656   7.696
   20   2HB   ASP   3          2HB       ASP   3   8.385   8.248   7.324
   21    H    GLU   4           H        GLU   4   5.634   6.316   8.305
   22    HA   GLU   4           HA       GLU   4   5.463   3.907   6.669
   23   1HB   GLU   4          1HB       GLU   4   4.660   2.839   8.669
   24   2HB   GLU   4          2HB       GLU   4   5.747   4.085   9.232
   25   1HG   GLU   4          1HG       GLU   4   3.767   5.574   9.808
   26   2HG   GLU   4          2HG       GLU   4   2.656   4.378   9.192
   27    H    LEU   5           H        LEU   5   3.273   6.462   7.327
   28    HA   LEU   5           HA       LEU   5   0.771   4.955   6.967
   29   1HB   LEU   5          1HB       LEU   5   1.535   7.924   6.831
   30   2HB   LEU   5          2HB       LEU   5  -0.029   7.442   6.202
   31    HG   LEU   5           HG       LEU   5   0.890   6.902   9.091
   32   1HD1  LEU   5          2HD1      LEU   5   0.768   9.366   8.613
   33   2HD1  LEU   5          3HD1      LEU   5  -0.895   9.187   8.001
   34   3HD1  LEU   5          1HD1      LEU   5  -0.530   8.868   9.714
   35   1HD2  LEU   5          2HD2      LEU   5  -1.915   6.707   7.783
   36   2HD2  LEU   5          3HD2      LEU   5  -0.943   5.363   8.430
   37   3HD2  LEU   5          1HD2      LEU   5  -1.592   6.579   9.534
   38    H    ARG   6           H        ARG   6   2.965   6.553   4.809
   39    HA   ARG   6           HA       ARG   6   1.336   6.165   2.381
   40   1HB   ARG   6          1HB       ARG   6   3.403   7.723   2.708
   41   2HB   ARG   6          2HB       ARG   6   4.414   6.293   2.649
   42   1HG   ARG   6          1HG       ARG   6   3.625   5.827   0.257
   43   2HG   ARG   6          2HG       ARG   6   2.523   7.197   0.348
   44   1HD   ARG   6          1HD       ARG   6   4.471   7.996  -0.833
   45   2HD   ARG   6          2HD       ARG   6   4.622   8.691   0.802
   46    HE   ARG   6           HE       ARG   6   6.135   6.686   1.364
   47   1HH1  ARG   6          2HH2      ARG   6   5.794   7.655  -1.952
   48   2HH1  ARG   6          1HH2      ARG   6   7.430   6.936  -2.413
   49   1HH2  ARG   6          1HH1      ARG   6   7.892   5.932   0.791
   50   2HH2  ARG   6          2HH1      ARG   6   8.575   5.998  -0.927
   51    H    GLN   7           H        GLN   7   3.780   4.278   4.037
   52    HA   GLN   7           HA       GLN   7   4.111   2.278   1.925
   53   1HB   GLN   7          1HB       GLN   7   4.708   2.430   4.923
   54   2HB   GLN   7          2HB       GLN   7   4.841   0.868   4.118
   55   1HG   GLN   7          1HG       GLN   7   6.327   3.198   2.800
   56   2HG   GLN   7          2HG       GLN   7   6.942   2.673   4.349
   57   1HE2  GLN   7          2HE2      GLN   7   7.435   0.184   1.120
   58   2HE2  GLN   7          1HE2      GLN   7   5.939   1.266   1.212
   59    H    ARG   8           H        ARG   8   1.758   2.796   4.381
   60    HA   ARG   8           HA       ARG   8   0.717   0.034   4.462
   61   1HB   ARG   8          2HB       ARG   8   0.378   1.862   6.249
   62   2HB   ARG   8          1HB       ARG   8  -0.656   2.735   5.134
   63   1HG   ARG   8          1HG       ARG   8  -1.409  -0.174   5.836
   64   2HG   ARG   8          2HG       ARG   8  -1.733   1.110   6.997
   65   1HD   ARG   8          1HD       ARG   8  -2.606   1.554   4.099
   66   2HD   ARG   8          2HD       ARG   8  -3.524   0.390   5.090
   67    HE   ARG   8           HE       ARG   8  -3.060   3.314   5.817
   68   1HH1  ARG   8          2HH2      ARG   8  -4.958   0.426   6.146
   69   2HH1  ARG   8          1HH2      ARG   8  -6.258   1.297   7.124
   70   1HH2  ARG   8          1HH1      ARG   8  -4.506   4.188   6.878
   71   2HH2  ARG   8          2HH1      ARG   8  -6.019   3.342   7.525
   72    H    LEU   9           H        LEU   9  -0.068   2.966   2.706
   73    HA   LEU   9           HA       LEU   9  -2.393   1.825   1.299
   74   1HB   LEU   9          1HB       LEU   9  -0.539   4.224   0.734
   75   2HB   LEU   9          2HB       LEU   9  -1.796   3.772  -0.400
   76    HG   LEU   9           HG       LEU   9  -2.090   4.912   2.420
   77   1HD1  LEU   9          2HD1      LEU   9  -1.887   6.493   0.474
   78   2HD1  LEU   9          3HD1      LEU   9  -3.285   5.729  -0.321
   79   3HD1  LEU   9          1HD1      LEU   9  -3.494   6.603   1.215
   80   1HD2  LEU   9          2HD2      LEU   9  -4.356   3.536   0.810
   81   2HD2  LEU   9          3HD2      LEU   9  -3.728   3.048   2.404
   82   3HD2  LEU   9          1HD2      LEU   9  -4.603   4.574   2.242
   83    H    ALA  10           H        ALA  10   1.029   1.820   0.764
   84    HA   ALA  10           HA       ALA  10   0.875   0.668  -1.932
   85   1HB   ALA  10          2HB       ALA  10   2.938   1.815  -1.031
   86   2HB   ALA  10          3HB       ALA  10   3.137   0.545   0.200
   87   3HB   ALA  10          1HB       ALA  10   3.337   0.159  -1.526
   88    H    ALA  11           H        ALA  11   0.829  -0.624   1.291
   89    HA   ALA  11           HA       ALA  11   1.322  -3.408   0.504
   90   1HB   ALA  11          2HB       ALA  11   1.716  -2.536   2.842
   91   2HB   ALA  11          3HB       ALA  11  -0.025  -2.228   3.048
   92   3HB   ALA  11          1HB       ALA  11   0.577  -3.896   2.890
   93    H    ARG  12           H        ARG  12  -1.487  -1.391   0.704
   94    HA   ARG  12           HA       ARG  12  -3.433  -3.615   0.433
   95   1HB   ARG  12          2HB       ARG  12  -3.951  -1.288   1.397
   96   2HB   ARG  12          1HB       ARG  12  -3.682  -0.580  -0.183
   97   1HG   ARG  12          1HG       ARG  12  -6.058  -0.729  -0.129
   98   2HG   ARG  12          2HG       ARG  12  -5.616  -2.138  -1.087
   99   1HD   ARG  12          2HD       ARG  12  -6.025  -3.661   0.775
  100   2HD   ARG  12          1HD       ARG  12  -6.026  -2.332   1.966
  101    HE   ARG  12           HE       ARG  12  -8.228  -1.706   1.293
  102   1HH1  ARG  12          2HH2      ARG  12  -7.049  -4.174  -0.844
  103   2HH1  ARG  12          1HH2      ARG  12  -8.673  -4.311  -1.711
  104   1HH2  ARG  12          1HH1      ARG  12  -9.984  -1.991   0.384
  105   2HH2  ARG  12          2HH1      ARG  12 -10.286  -3.163  -1.015
  106    H    LEU  13           H        LEU  13  -2.101  -1.164  -1.721
  107    HA   LEU  13           HA       LEU  13  -3.420  -2.047  -4.124
  108   1HB   LEU  13          1HB       LEU  13  -2.277   0.047  -4.296
  109   2HB   LEU  13          2HB       LEU  13  -0.815  -0.562  -3.545
  110    HG   LEU  13           HG       LEU  13  -0.303  -1.875  -5.668
  111   1HD1  LEU  13          3HD2      LEU  13  -2.718  -1.903  -6.569
  112   2HD1  LEU  13          1HD2      LEU  13  -2.553  -0.188  -6.963
  113   3HD1  LEU  13          2HD2      LEU  13  -1.506  -1.389  -7.768
  114   1HD2  LEU  13          2HD1      LEU  13   0.687   0.408  -5.138
  115   2HD2  LEU  13          3HD1      LEU  13   0.535   0.129  -6.890
  116   3HD2  LEU  13          1HD1      LEU  13  -0.630   1.175  -6.043
  117    H    GLU  14           H        GLU  14  -0.643  -3.329  -2.498
  118    HA   GLU  14           HA       GLU  14   0.360  -4.901  -4.784
  119   1HB   GLU  14          2HB       GLU  14   1.623  -4.131  -2.666
  120   2HB   GLU  14          1HB       GLU  14   0.769  -5.368  -1.777
  121   1HG   GLU  14          1HG       GLU  14   3.272  -5.754  -2.919
  122   2HG   GLU  14          2HG       GLU  14   2.164  -7.097  -2.643
  123    H    ALA  15           H        ALA  15  -1.762  -5.524  -2.062
  124    HA   ALA  15           HA       ALA  15  -1.969  -8.413  -2.492
  125   1HB   ALA  15          2HB       ALA  15  -2.583  -7.288  -0.318
  126   2HB   ALA  15          3HB       ALA  15  -3.926  -6.430  -1.110
  127   3HB   ALA  15          1HB       ALA  15  -3.974  -8.201  -0.934
  128    H    LEU  16           H        LEU  16  -3.597  -5.630  -3.780
  129    HA   LEU  16           HA       LEU  16  -5.812  -7.192  -4.965
  130   1HB   LEU  16          1HB       LEU  16  -4.785  -4.319  -5.432
  131   2HB   LEU  16          2HB       LEU  16  -6.126  -4.975  -6.350
  132    HG   LEU  16           HG       LEU  16  -6.007  -4.108  -3.454
  133   1HD1  LEU  16          2HD1      LEU  16  -6.973  -2.625  -5.237
  134   2HD1  LEU  16          3HD1      LEU  16  -8.172  -3.873  -5.656
  135   3HD1  LEU  16          1HD1      LEU  16  -8.214  -3.089  -4.059
  136   1HD2  LEU  16          2HD2      LEU  16  -7.996  -6.270  -4.447
  137   2HD2  LEU  16          3HD2      LEU  16  -6.791  -6.444  -3.147
  138   3HD2  LEU  16          1HD2      LEU  16  -8.161  -5.351  -2.925
  139    H    LYS  17           H        LYS  17  -2.783  -5.899  -6.165
  140    HA   LYS  17           HA       LYS  17  -3.445  -6.850  -8.919
  141   1HB   LYS  17          1HB       LYS  17  -1.407  -5.684  -9.604
  142   2HB   LYS  17          2HB       LYS  17  -2.198  -4.659  -8.414
  143   1HG   LYS  17          2HG       LYS  17  -0.246  -4.637  -7.197
  144   2HG   LYS  17          1HG       LYS  17  -0.449  -6.354  -6.859
  145   1HD   LYS  17          1HD       LYS  17   0.675  -6.054  -9.541
  146   2HD   LYS  17          2HD       LYS  17   1.652  -5.177  -8.348
  147   1HE   LYS  17          1HE       LYS  17   1.561  -7.266  -6.814
  148   2HE   LYS  17          2HE       LYS  17   0.773  -8.152  -8.129
  149   1HZ   LYS  17          3HZ       LYS  17   3.217  -6.684  -8.801
  150   2HZ   LYS  17          1HZ       LYS  17   3.374  -8.078  -7.874
  151   3HZ   LYS  17          2HZ       LYS  17   2.640  -8.151  -9.385
  152    H    GLU  18           H        GLU  18  -2.572  -8.545  -6.353
  153    HA   GLU  18           HA       GLU  18  -0.586 -10.286  -7.774
  154   1HB   GLU  18          1HB       GLU  18  -0.647  -9.721  -5.236
  155   2HB   GLU  18          2HB       GLU  18  -2.104 -10.672  -5.106
  156   1HG   GLU  18          1HG       GLU  18  -0.446 -12.626  -6.192
  157   2HG   GLU  18          2HG       GLU  18   0.792 -11.630  -5.472
  158    H    ASN  19           H        ASN  19  -2.457 -10.259  -9.451
  159    HA   ASN  19           HA       ASN  19  -3.528 -12.988  -9.497
  160   1HB   ASN  19          2HB       ASN  19  -5.160 -11.891  -7.821
  161   2HB   ASN  19          1HB       ASN  19  -5.596 -10.718  -9.040
  162   1HD2  ASN  19          1HD2      ASN  19  -8.285 -13.100  -9.339
  163   2HD2  ASN  19          2HD2      ASN  19  -7.734 -11.643  -8.347
  164    H    GLY  20           H        GLY  20  -4.573  -9.793 -10.610
  165   1HA   GLY  20          1HA       GLY  20  -4.048 -10.716 -13.477
  166   2HA   GLY  20          2HA       GLY  20  -5.674 -10.144 -13.049
   
  No H/Q in entry =         166
  Start of MODEL    3
    1   1H    TYR   1          3H        TYR   1   2.961  14.605   6.034
    2   2H    TYR   1          1H        TYR   1   2.363  14.854   4.482
    3   3H    TYR   1          2H        TYR   1   1.433  14.036   5.621
    4    HA   TYR   1           HA       TYR   1   2.196  12.312   4.380
    5   1HB   TYR   1          2HB       TYR   1   3.999  14.168   3.349
    6   2HB   TYR   1          1HB       TYR   1   5.090  13.327   4.412
    7    HD1  TYR   1           HD1      TYR   1   2.672  10.935   3.226
    8    HD2  TYR   1           HD2      TYR   1   6.152  13.134   1.984
    9    HE1  TYR   1           HE1      TYR   1   3.038   9.332   1.400
   10    HE2  TYR   1           HE2      TYR   1   6.514  11.510   0.159
   11    HH   TYR   1           HH       TYR   1   4.492   9.715  -1.119
   12    H    SER   2           H        SER   2   3.097  10.466   5.061
   13    HA   SER   2           HA       SER   2   4.869  10.471   7.467
   14   1HB   SER   2          2HB       SER   2   2.449  10.813   8.383
   15   2HB   SER   2          1HB       SER   2   2.062   9.224   7.743
   16    HG   SER   2           HG       SER   2   2.856   9.502  10.044
   17    H    ASP   3           H        ASP   3   6.319   9.218   6.835
   18    HA   ASP   3           HA       ASP   3   6.584   7.204   5.127
   19   1HB   ASP   3          1HB       ASP   3   7.851   7.835   7.632
   20   2HB   ASP   3          2HB       ASP   3   7.469   6.135   7.787
   21    H    GLU   4           H        GLU   4   5.087   6.394   8.243
   22    HA   GLU   4           HA       GLU   4   4.853   3.549   7.497
   23   1HB   GLU   4          1HB       GLU   4   3.892   3.265   9.666
   24   2HB   GLU   4          2HB       GLU   4   5.020   4.583   9.871
   25   1HG   GLU   4          1HG       GLU   4   3.100   6.255   9.765
   26   2HG   GLU   4          2HG       GLU   4   1.959   4.961   9.507
   27    H    LEU   5           H        LEU   5   2.723   6.313   7.370
   28    HA   LEU   5           HA       LEU   5   0.268   4.670   7.031
   29   1HB   LEU   5          1HB       LEU   5  -0.753   6.661   7.444
   30   2HB   LEU   5          2HB       LEU   5   0.834   7.390   7.599
   31    HG   LEU   5           HG       LEU   5   0.547   7.514   4.867
   32   1HD1  LEU   5          2HD1      LEU   5  -1.763   6.527   4.931
   33   2HD1  LEU   5          3HD1      LEU   5  -2.321   7.836   6.001
   34   3HD1  LEU   5          1HD1      LEU   5  -1.810   8.196   4.334
   35   1HD2  LEU   5          2HD2      LEU   5  -0.506   9.602   6.911
   36   2HD2  LEU   5          3HD2      LEU   5   1.147   9.485   6.258
   37   3HD2  LEU   5          1HD2      LEU   5  -0.183   9.936   5.187
   38    H    ARG   6           H        ARG   6   2.550   6.186   4.903
   39    HA   ARG   6           HA       ARG   6   0.869   5.756   2.492
   40   1HB   ARG   6          2HB       ARG   6   2.717   7.578   2.915
   41   2HB   ARG   6          1HB       ARG   6   3.903   6.319   2.637
   42   1HG   ARG   6          1HG       ARG   6   1.843   6.536   0.419
   43   2HG   ARG   6          2HG       ARG   6   2.864   7.957   0.624
   44   1HD   ARG   6          1HD       ARG   6   4.910   6.651   0.266
   45   2HD   ARG   6          2HD       ARG   6   4.039   5.106   0.447
   46    HE   ARG   6           HE       ARG   6   2.821   6.751  -1.665
   47   1HH1  ARG   6          2HH2      ARG   6   5.522   4.647  -1.095
   48   2HH1  ARG   6          1HH2      ARG   6   5.670   4.221  -2.885
   49   1HH2  ARG   6          1HH1      ARG   6   3.042   6.245  -3.583
   50   2HH2  ARG   6          2HH1      ARG   6   4.325   5.087  -4.243
   51    H    GLN   7           H        GLN   7   3.538   4.157   4.077
   52    HA   GLN   7           HA       GLN   7   3.939   2.095   2.028
   53   1HB   GLN   7          1HB       GLN   7   4.526   2.245   5.049
   54   2HB   GLN   7          2HB       GLN   7   4.928   0.814   4.102
   55   1HG   GLN   7          1HG       GLN   7   6.422   2.316   2.591
   56   2HG   GLN   7          2HG       GLN   7   6.077   3.666   3.645
   57   1HE2  GLN   7          2HE2      GLN   7   9.368   1.879   4.437
   58   2HE2  GLN   7          1HE2      GLN   7   8.567   2.357   2.839
   59    H    ARG   8           H        ARG   8   1.709   2.530   4.647
   60    HA   ARG   8           HA       ARG   8   0.701  -0.238   4.698
   61   1HB   ARG   8          2HB       ARG   8   0.334   1.556   6.506
   62   2HB   ARG   8          1HB       ARG   8  -0.703   2.440   5.403
   63   1HG   ARG   8          1HG       ARG   8  -2.443   0.676   5.404
   64   2HG   ARG   8          2HG       ARG   8  -1.376  -0.470   6.210
   65   1HD   ARG   8          1HD       ARG   8  -2.556   0.246   8.082
   66   2HD   ARG   8          2HD       ARG   8  -1.328   1.538   8.100
   67    HE   ARG   8           HE       ARG   8  -3.134   2.668   6.389
   68   1HH1  ARG   8          2HH2      ARG   8  -3.775   1.013   9.373
   69   2HH1  ARG   8          1HH2      ARG   8  -5.303   2.000   9.684
   70   1HH2  ARG   8          1HH1      ARG   8  -4.797   3.695   6.793
   71   2HH2  ARG   8          2HH1      ARG   8  -5.863   3.460   8.286
   72    H    LEU   9           H        LEU   9  -0.149   2.690   2.968
   73    HA   LEU   9           HA       LEU   9  -2.420   1.494   1.513
   74   1HB   LEU   9          1HB       LEU   9  -0.640   3.962   1.057
   75   2HB   LEU   9          2HB       LEU   9  -1.774   3.465  -0.184
   76    HG   LEU   9           HG       LEU   9  -2.397   4.478   2.640
   77   1HD1  LEU   9          3HD2      LEU   9  -2.043   6.157   0.717
   78   2HD1  LEU   9          1HD2      LEU   9  -3.448   5.464  -0.100
   79   3HD1  LEU   9          2HD2      LEU   9  -3.647   6.265   1.483
   80   1HD2  LEU   9          2HD1      LEU   9  -3.859   2.458   2.132
   81   2HD2  LEU   9          3HD1      LEU   9  -4.805   3.962   2.254
   82   3HD2  LEU   9          1HD1      LEU   9  -4.435   3.262   0.660
   83    H    ALA  10           H        ALA  10   1.007   1.513   1.078
   84    HA   ALA  10           HA       ALA  10   0.923   0.603  -1.715
   85   1HB   ALA  10          2HB       ALA  10   2.928   1.751  -0.691
   86   2HB   ALA  10          3HB       ALA  10   3.170   0.387   0.425
   87   3HB   ALA  10          1HB       ALA  10   3.401   0.164  -1.326
   88    H    ALA  11           H        ALA  11   0.901  -0.971   1.381
   89    HA   ALA  11           HA       ALA  11   1.415  -3.673   0.353
   90   1HB   ALA  11          2HB       ALA  11   1.752  -3.020   2.771
   91   2HB   ALA  11          3HB       ALA  11   0.007  -2.728   2.961
   92   3HB   ALA  11          1HB       ALA  11   0.611  -4.376   2.665
   93    H    ARG  12           H        ARG  12  -1.398  -1.672   0.660
   94    HA   ARG  12           HA       ARG  12  -3.341  -3.878   0.260
   95   1HB   ARG  12          2HB       ARG  12  -3.836  -1.618   1.390
   96   2HB   ARG  12          1HB       ARG  12  -3.611  -0.811  -0.149
   97   1HG   ARG  12          1HG       ARG  12  -6.002  -0.996   0.019
   98   2HG   ARG  12          2HG       ARG  12  -5.557  -2.262  -1.121
   99   1HD   ARG  12          2HD       ARG  12  -6.137  -3.987   0.359
  100   2HD   ARG  12          1HD       ARG  12  -5.624  -3.086   1.809
  101    HE   ARG  12           HE       ARG  12  -8.285  -3.046   0.548
  102   1HH1  ARG  12          2HH2      ARG  12  -6.151  -1.169   2.537
  103   2HH1  ARG  12          1HH2      ARG  12  -7.534  -0.133   3.186
  104   1HH2  ARG  12          1HH1      ARG  12  -9.723  -1.837   1.238
  105   2HH2  ARG  12          2HH1      ARG  12  -9.476  -0.481   2.472
  106    H    LEU  13           H        LEU  13  -2.025  -1.293  -1.739
  107    HA   LEU  13           HA       LEU  13  -3.215  -2.128  -4.253
  108   1HB   LEU  13          1HB       LEU  13  -2.130   0.002  -4.307
  109   2HB   LEU  13          2HB       LEU  13  -0.704  -0.577  -3.468
  110    HG   LEU  13           HG       LEU  13  -0.012  -1.836  -5.573
  111   1HD1  LEU  13          2HD1      LEU  13  -2.288  -2.050  -6.616
  112   2HD1  LEU  13          3HD1      LEU  13  -2.364  -0.288  -6.864
  113   3HD1  LEU  13          1HD1      LEU  13  -1.152  -1.265  -7.728
  114   1HD2  LEU  13          2HD2      LEU  13  -0.385   1.230  -5.856
  115   2HD2  LEU  13          3HD2      LEU  13   1.008   0.385  -5.136
  116   3HD2  LEU  13          1HD2      LEU  13   0.697   0.233  -6.868
  117    H    GLU  14           H        GLU  14  -0.534  -3.367  -2.456
  118    HA   GLU  14           HA       GLU  14   0.589  -4.958  -4.657
  119   1HB   GLU  14          2HB       GLU  14   1.762  -4.234  -2.483
  120   2HB   GLU  14          1HB       GLU  14   0.785  -5.388  -1.611
  121   1HG   GLU  14          2HG       GLU  14   1.859  -7.278  -3.098
  122   2HG   GLU  14          1HG       GLU  14   2.961  -6.067  -3.703
  123    H    ALA  15           H        ALA  15  -1.685  -5.562  -2.060
  124    HA   ALA  15           HA       ALA  15  -1.849  -8.458  -2.486
  125   1HB   ALA  15          2HB       ALA  15  -2.524  -7.335  -0.328
  126   2HB   ALA  15          3HB       ALA  15  -3.856  -6.491  -1.152
  127   3HB   ALA  15          1HB       ALA  15  -3.892  -8.262  -0.976
  128    H    LEU  16           H        LEU  16  -3.491  -5.692  -3.801
  129    HA   LEU  16           HA       LEU  16  -5.595  -7.357  -5.094
  130   1HB   LEU  16          1HB       LEU  16  -4.859  -4.391  -5.575
  131   2HB   LEU  16          2HB       LEU  16  -6.303  -5.182  -6.175
  132    HG   LEU  16           HG       LEU  16  -5.937  -5.268  -3.180
  133   1HD1  LEU  16          3HD2      LEU  16  -5.197  -2.886  -3.830
  134   2HD1  LEU  16          1HD2      LEU  16  -6.789  -2.627  -4.551
  135   3HD1  LEU  16          2HD2      LEU  16  -6.647  -2.935  -2.798
  136   1HD2  LEU  16          2HD1      LEU  16  -7.969  -6.200  -4.395
  137   2HD2  LEU  16          3HD1      LEU  16  -8.405  -4.925  -3.231
  138   3HD2  LEU  16          1HD1      LEU  16  -8.354  -4.569  -4.974
  139    H    LYS  17           H        LYS  17  -2.577  -5.913  -6.011
  140    HA   LYS  17           HA       LYS  17  -3.089  -6.353  -8.909
  141   1HB   LYS  17          1HB       LYS  17  -1.055  -5.167  -9.265
  142   2HB   LYS  17          2HB       LYS  17  -1.603  -4.487  -7.738
  143   1HG   LYS  17          1HG       LYS  17  -0.045  -6.058  -6.472
  144   2HG   LYS  17          2HG       LYS  17   0.449  -6.803  -7.991
  145   1HD   LYS  17          1HD       LYS  17   1.586  -4.726  -8.674
  146   2HD   LYS  17          2HD       LYS  17   0.817  -3.801  -7.370
  147   1HE   LYS  17          1HE       LYS  17   2.725  -4.290  -6.131
  148   2HE   LYS  17          2HE       LYS  17   1.984  -5.878  -5.879
  149   1HZ   LYS  17          2HZ       LYS  17   3.077  -6.174  -8.323
  150   2HZ   LYS  17          3HZ       LYS  17   4.189  -5.145  -7.593
  151   3HZ   LYS  17          1HZ       LYS  17   3.814  -6.620  -6.878
  152    H    GLU  18           H        GLU  18  -2.418  -8.487  -6.542
  153    HA   GLU  18           HA       GLU  18  -0.452 -10.252  -7.503
  154   1HB   GLU  18          2HB       GLU  18  -1.834 -10.691  -5.501
  155   2HB   GLU  18          1HB       GLU  18  -3.289 -10.833  -6.457
  156   1HG   GLU  18          1HG       GLU  18  -1.664 -12.899  -7.555
  157   2HG   GLU  18          2HG       GLU  18  -1.204 -12.928  -5.871
  158    H    ASN  19           H        ASN  19  -3.725 -11.231  -8.286
  159    HA   ASN  19           HA       ASN  19  -3.074 -12.480 -10.769
  160   1HB   ASN  19          1HB       ASN  19  -5.635 -11.231  -9.631
  161   2HB   ASN  19          2HB       ASN  19  -5.659 -11.690 -11.317
  162   1HD2  ASN  19          1HD2      ASN  19  -5.305 -15.247 -10.229
  163   2HD2  ASN  19          2HD2      ASN  19  -4.291 -14.123 -11.288
  164    H    GLY  20           H        GLY  20  -4.658  -9.323 -10.492
  165   1HA   GLY  20          2HA       GLY  20  -3.560  -7.308 -11.568
  166   2HA   GLY  20          1HA       GLY  20  -2.893  -8.382 -12.814
   
  No H/Q in entry =         166
  Start of MODEL    4
    1   1H    TYR   1          3H        TYR   1  -0.095  11.672   6.341
    2   2H    TYR   1          1H        TYR   1  -1.006  11.047   5.073
    3   3H    TYR   1          2H        TYR   1  -0.297  10.010   6.190
    4    HA   TYR   1           HA       TYR   1   1.195   9.765   4.562
    5   1HB   TYR   1          2HB       TYR   1  -0.096  11.459   3.067
    6   2HB   TYR   1          1HB       TYR   1   0.743  12.759   3.864
    7    HD1  TYR   1           HD2      TYR   1   2.701   9.679   3.188
    8    HD2  TYR   1           HD1      TYR   1   1.466  13.467   1.573
    9    HE1  TYR   1           HE2      TYR   1   4.487   9.549   1.489
   10    HE2  TYR   1           HE1      TYR   1   3.245  13.324  -0.116
   11    HH   TYR   1           HH       TYR   1   5.625  12.037  -0.167
   12    H    SER   2           H        SER   2   2.746   9.383   5.884
   13    HA   SER   2           HA       SER   2   4.802  11.448   6.278
   14   1HB   SER   2          1HB       SER   2   4.772  11.562   8.783
   15   2HB   SER   2          2HB       SER   2   3.291  12.234   8.120
   16    HG   SER   2           HG       SER   2   2.754  10.874   9.781
   17    H    ASP   3           H        ASP   3   4.893   9.165   5.019
   18    HA   ASP   3           HA       ASP   3   6.735   7.717   4.755
   19   1HB   ASP   3          1HB       ASP   3   7.699   8.943   7.038
   20   2HB   ASP   3          2HB       ASP   3   7.279   7.399   7.744
   21    H    GLU   4           H        GLU   4   5.452   6.868   7.934
   22    HA   GLU   4           HA       GLU   4   5.320   4.018   7.186
   23   1HB   GLU   4          1HB       GLU   4   4.037   5.559   9.543
   24   2HB   GLU   4          2HB       GLU   4   4.098   3.816   9.430
   25   1HG   GLU   4          2HG       GLU   4   6.861   4.796   9.171
   26   2HG   GLU   4          1HG       GLU   4   6.123   5.666  10.492
   27    H    LEU   5           H        LEU   5   3.108   6.680   7.066
   28    HA   LEU   5           HA       LEU   5   0.732   4.893   6.808
   29   1HB   LEU   5          1HB       LEU   5   1.030   7.940   6.361
   30   2HB   LEU   5          2HB       LEU   5  -0.499   7.085   6.307
   31    HG   LEU   5           HG       LEU   5   0.875   6.551   8.865
   32   1HD1  LEU   5          2HD1      LEU   5   1.949   8.781   8.432
   33   2HD1  LEU   5          3HD1      LEU   5   0.352   9.527   8.179
   34   3HD1  LEU   5          1HD1      LEU   5   0.799   8.885   9.778
   35   1HD2  LEU   5          2HD2      LEU   5  -1.816   7.934   8.173
   36   2HD2  LEU   5          3HD2      LEU   5  -1.573   6.222   8.600
   37   3HD2  LEU   5          1HD2      LEU   5  -1.299   7.471   9.818
   38    H    ARG   6           H        ARG   6   2.888   6.577   4.685
   39    HA   ARG   6           HA       ARG   6   1.257   6.150   2.262
   40   1HB   ARG   6          1HB       ARG   6   3.197   7.857   2.610
   41   2HB   ARG   6          2HB       ARG   6   4.317   6.514   2.504
   42   1HG   ARG   6          1HG       ARG   6   2.308   6.968   0.194
   43   2HG   ARG   6          2HG       ARG   6   3.708   8.027   0.333
   44   1HD   ARG   6          1HD       ARG   6   5.230   6.315  -0.220
   45   2HD   ARG   6          2HD       ARG   6   4.244   5.035   0.533
   46    HE   ARG   6           HE       ARG   6   2.593   5.345  -1.412
   47   1HH1  ARG   6          2HH2      ARG   6   5.893   6.328  -1.854
   48   2HH1  ARG   6          1HH2      ARG   6   5.792   6.126  -3.686
   49   1HH2  ARG   6          1HH1      ARG   6   2.559   5.148  -3.398
   50   2HH2  ARG   6          2HH1      ARG   6   3.982   5.484  -4.531
   51    H    GLN   7           H        GLN   7   3.875   4.434   3.844
   52    HA   GLN   7           HA       GLN   7   4.100   2.321   1.818
   53   1HB   GLN   7          1HB       GLN   7   5.686   1.387   3.256
   54   2HB   GLN   7          2HB       GLN   7   5.700   3.057   3.819
   55   1HG   GLN   7          1HG       GLN   7   4.694   2.513   5.915
   56   2HG   GLN   7          2HG       GLN   7   3.785   1.161   5.283
   57   1HE2  GLN   7          2HE2      GLN   7   7.073  -0.765   5.731
   58   2HE2  GLN   7          1HE2      GLN   7   6.148  -0.234   4.219
   59    H    ARG   8           H        ARG   8   1.986   2.910   4.488
   60    HA   ARG   8           HA       ARG   8   0.858   0.198   4.667
   61   1HB   ARG   8          2HB       ARG   8   0.574   2.086   6.389
   62   2HB   ARG   8          1HB       ARG   8  -0.425   2.965   5.248
   63   1HG   ARG   8          1HG       ARG   8  -2.075   0.912   5.235
   64   2HG   ARG   8          2HG       ARG   8  -1.148   0.272   6.589
   65   1HD   ARG   8          1HD       ARG   8  -2.337   1.604   8.021
   66   2HD   ARG   8          2HD       ARG   8  -1.731   3.065   7.198
   67    HE   ARG   8           HE       ARG   8  -3.617   2.547   5.426
   68   1HH1  ARG   8          2HH2      ARG   8  -3.958   1.783   8.795
   69   2HH1  ARG   8          1HH2      ARG   8  -5.798   1.911   8.719
   70   1HH2  ARG   8          2HH1      ARG   8  -6.701   2.396   6.889
   71   2HH2  ARG   8          1HH1      ARG   8  -5.608   2.674   5.423
   72    H    LEU   9           H        LEU   9   0.127   3.075   2.804
   73    HA   LEU   9           HA       LEU   9  -2.138   1.875   1.339
   74   1HB   LEU   9          1HB       LEU   9  -0.326   4.309   0.944
   75   2HB   LEU   9          2HB       LEU   9  -1.255   3.754  -0.435
   76    HG   LEU   9           HG       LEU   9  -2.077   5.532   1.621
   77   1HD1  LEU   9          2HD1      LEU   9  -2.766   5.576  -0.794
   78   2HD1  LEU   9          3HD1      LEU   9  -3.774   4.127  -0.556
   79   3HD1  LEU   9          1HD1      LEU   9  -4.183   5.650   0.270
   80   1HD2  LEU   9          2HD2      LEU   9  -3.683   2.886   1.829
   81   2HD2  LEU   9          3HD2      LEU   9  -2.750   3.674   3.126
   82   3HD2  LEU   9          1HD2      LEU   9  -4.206   4.455   2.501
   83    H    ALA  10           H        ALA  10   1.294   1.741   1.033
   84    HA   ALA  10           HA       ALA  10   1.290   0.641  -1.690
   85   1HB   ALA  10          2HB       ALA  10   3.313   1.727  -0.638
   86   2HB   ALA  10          3HB       ALA  10   3.406   0.434   0.581
   87   3HB   ALA  10          1HB       ALA  10   3.709   0.071  -1.136
   88    H    ALA  11           H        ALA  11   0.961  -0.698   1.495
   89    HA   ALA  11           HA       ALA  11   1.397  -3.484   0.678
   90   1HB   ALA  11          2HB       ALA  11   1.664  -2.678   3.058
   91   2HB   ALA  11          3HB       ALA  11  -0.073  -2.302   3.151
   92   3HB   ALA  11          1HB       ALA  11   0.470  -3.990   2.995
   93    H    ARG  12           H        ARG  12  -1.340  -1.357   0.744
   94    HA   ARG  12           HA       ARG  12  -3.351  -3.476   0.233
   95   1HB   ARG  12          2HB       ARG  12  -3.825  -1.131   1.191
   96   2HB   ARG  12          1HB       ARG  12  -3.396  -0.427  -0.354
   97   1HG   ARG  12          1HG       ARG  12  -5.749  -0.471  -0.586
   98   2HG   ARG  12          2HG       ARG  12  -5.335  -1.991  -1.373
   99   1HD   ARG  12          2HD       ARG  12  -5.976  -3.296   0.596
  100   2HD   ARG  12          1HD       ARG  12  -6.015  -1.848   1.636
  101    HE   ARG  12           HE       ARG  12  -8.114  -1.208   0.699
  102   1HH1  ARG  12          2HH2      ARG  12  -6.834  -3.861  -1.137
  103   2HH1  ARG  12          1HH2      ARG  12  -8.416  -4.090  -2.059
  104   1HH2  ARG  12          1HH1      ARG  12  -9.817  -1.569  -0.278
  105   2HH2  ARG  12          2HH1      ARG  12 -10.033  -2.825  -1.620
  106    H    LEU  13           H        LEU  13  -1.672  -1.081  -1.729
  107    HA   LEU  13           HA       LEU  13  -2.569  -1.956  -4.317
  108   1HB   LEU  13          1HB       LEU  13  -1.247   0.037  -4.315
  109   2HB   LEU  13          2HB       LEU  13  -0.012  -0.649  -3.278
  110    HG   LEU  13           HG       LEU  13   0.718  -2.126  -5.269
  111   1HD1  LEU  13          3HD2      LEU  13  -1.435  -1.774  -6.644
  112   2HD1  LEU  13          1HD2      LEU  13  -0.928  -0.109  -6.946
  113   3HD1  LEU  13          2HD2      LEU  13   0.063  -1.463  -7.556
  114   1HD2  LEU  13          2HD1      LEU  13   1.920  -0.026  -4.482
  115   2HD2  LEU  13          3HD1      LEU  13   2.090  -0.283  -6.236
  116   3HD2  LEU  13          1HD1      LEU  13   0.952   0.937  -5.615
  117    H    GLU  14           H        GLU  14  -0.292  -3.395  -2.153
  118    HA   GLU  14           HA       GLU  14   0.974  -5.120  -4.163
  119   1HB   GLU  14          2HB       GLU  14   1.913  -4.411  -1.873
  120   2HB   GLU  14          1HB       GLU  14   0.764  -5.481  -1.110
  121   1HG   GLU  14          1HG       GLU  14   1.864  -7.491  -2.287
  122   2HG   GLU  14          2HG       GLU  14   3.051  -6.420  -2.989
  123    H    ALA  15           H        ALA  15  -1.652  -5.485  -1.876
  124    HA   ALA  15           HA       ALA  15  -2.082  -8.335  -2.404
  125   1HB   ALA  15          2HB       ALA  15  -2.888  -7.177  -0.310
  126   2HB   ALA  15          3HB       ALA  15  -4.008  -6.176  -1.263
  127   3HB   ALA  15          1HB       ALA  15  -4.259  -7.934  -1.143
  128    H    LEU  16           H        LEU  16  -3.222  -5.385  -3.835
  129    HA   LEU  16           HA       LEU  16  -5.348  -6.754  -5.399
  130   1HB   LEU  16          1HB       LEU  16  -4.159  -3.904  -5.598
  131   2HB   LEU  16          2HB       LEU  16  -5.498  -4.459  -6.584
  132    HG   LEU  16           HG       LEU  16  -5.507  -4.142  -3.524
  133   1HD1  LEU  16          2HD1      LEU  16  -5.551  -1.981  -4.805
  134   2HD1  LEU  16          3HD1      LEU  16  -6.960  -2.538  -5.741
  135   3HD1  LEU  16          1HD1      LEU  16  -7.099  -2.264  -3.987
  136   1HD2  LEU  16          2HD2      LEU  16  -7.808  -5.067  -5.387
  137   2HD2  LEU  16          3HD2      LEU  16  -7.029  -6.018  -4.099
  138   3HD2  LEU  16          1HD2      LEU  16  -8.002  -4.607  -3.673
  139    H    LYS  17           H        LYS  17  -2.043  -5.903  -5.906
  140    HA   LYS  17           HA       LYS  17  -2.208  -5.950  -8.860
  141   1HB   LYS  17          1HB       LYS  17   0.198  -5.641  -8.815
  142   2HB   LYS  17          2HB       LYS  17  -0.412  -4.736  -7.437
  143   1HG   LYS  17          2HG       LYS  17   1.066  -5.904  -6.115
  144   2HG   LYS  17          1HG       LYS  17   0.079  -7.346  -6.352
  145   1HD   LYS  17          1HD       LYS  17   1.996  -6.822  -8.587
  146   2HD   LYS  17          2HD       LYS  17   2.726  -7.218  -7.019
  147   1HE   LYS  17          1HE       LYS  17   0.375  -8.960  -7.434
  148   2HE   LYS  17          2HE       LYS  17   1.421  -9.074  -8.858
  149   1HZ   LYS  17          3HZ       LYS  17   3.323  -9.306  -7.223
  150   2HZ   LYS  17          1HZ       LYS  17   2.164  -9.552  -6.030
  151   3HZ   LYS  17          2HZ       LYS  17   2.261 -10.605  -7.337
  152    H    GLU  18           H        GLU  18  -1.975  -8.354  -6.434
  153    HA   GLU  18           HA       GLU  18  -1.124 -10.452  -8.393
  154   1HB   GLU  18          2HB       GLU  18  -0.560 -10.353  -5.872
  155   2HB   GLU  18          1HB       GLU  18  -2.241 -10.676  -5.527
  156   1HG   GLU  18          2HG       GLU  18  -2.118 -12.986  -6.343
  157   2HG   GLU  18          1HG       GLU  18  -0.644 -12.694  -7.231
  158    H    ASN  19           H        ASN  19  -3.047  -9.467  -9.670
  159    HA   ASN  19           HA       ASN  19  -5.021 -11.739  -9.599
  160   1HB   ASN  19          2HB       ASN  19  -6.222 -10.006  -8.240
  161   2HB   ASN  19          1HB       ASN  19  -5.804  -8.749  -9.379
  162   1HD2  ASN  19          1HD2      ASN  19  -9.003 -11.066 -10.314
  163   2HD2  ASN  19          2HD2      ASN  19  -7.789 -11.684  -9.066
  164    H    GLY  20           H        GLY  20  -5.078  -8.602 -11.195
  165   1HA   GLY  20          2HA       GLY  20  -3.808  -9.545 -13.689
  166   2HA   GLY  20          1HA       GLY  20  -5.573  -9.646 -13.850
   
  No H/Q in entry =         166
  Start of MODEL    5
    1   1H    TYR   1          3H        TYR   1   2.213  13.484   7.223
    2   2H    TYR   1          1H        TYR   1   3.538  14.309   6.598
    3   3H    TYR   1          2H        TYR   1   2.007  14.568   5.953
    4    HA   TYR   1           HA       TYR   1   1.935  12.615   4.830
    5   1HB   TYR   1          2HB       TYR   1   3.789  14.079   3.907
    6   2HB   TYR   1          1HB       TYR   1   4.932  13.421   5.038
    7    HD1  TYR   1           HD1      TYR   1   2.825  10.741   3.878
    8    HD2  TYR   1           HD2      TYR   1   6.158  13.190   2.704
    9    HE1  TYR   1           HE1      TYR   1   3.509   9.031   2.252
   10    HE2  TYR   1           HE2      TYR   1   6.841  11.459   1.078
   11    HH   TYR   1           HH       TYR   1   5.272   9.425  -0.209
   12    H    SER   2           H        SER   2   5.032  12.210   6.479
   13    HA   SER   2           HA       SER   2   5.775  10.495   7.940
   14   1HB   SER   2          2HB       SER   2   3.216  10.995   8.877
   15   2HB   SER   2          1HB       SER   2   3.006   9.329   8.359
   16    HG   SER   2           HG       SER   2   4.893   8.800   9.636
   17    H    ASP   3           H        ASP   3   6.941   9.275   6.793
   18    HA   ASP   3           HA       ASP   3   6.587   7.522   4.819
   19   1HB   ASP   3          1HB       ASP   3   8.060   7.101   7.499
   20   2HB   ASP   3          2HB       ASP   3   8.059   5.787   6.344
   21    H    GLU   4           H        GLU   4   5.214   6.649   7.975
   22    HA   GLU   4           HA       GLU   4   4.858   3.825   7.196
   23   1HB   GLU   4          1HB       GLU   4   3.534   5.486   9.446
   24   2HB   GLU   4          2HB       GLU   4   3.454   3.745   9.328
   25   1HG   GLU   4          1HG       GLU   4   6.273   4.268   9.307
   26   2HG   GLU   4          2HG       GLU   4   5.660   5.481  10.403
   27    H    LEU   5           H        LEU   5   2.900   6.682   6.983
   28    HA   LEU   5           HA       LEU   5   0.389   5.183   6.538
   29   1HB   LEU   5          1HB       LEU   5   1.161   8.123   5.973
   30   2HB   LEU   5          2HB       LEU   5  -0.443   7.496   5.650
   31    HG   LEU   5           HG       LEU   5   0.584   7.090   8.464
   32   1HD1  LEU   5          2HD1      LEU   5   1.420   9.399   7.931
   33   2HD1  LEU   5          3HD1      LEU   5  -0.209   9.892   7.406
   34   3HD1  LEU   5          1HD1      LEU   5   0.093   9.461   9.107
   35   1HD2  LEU   5          2HD2      LEU   5  -2.138   8.019   7.302
   36   2HD2  LEU   5          3HD2      LEU   5  -1.742   6.401   7.934
   37   3HD2  LEU   5          1HD2      LEU   5  -1.796   7.780   9.038
   38    H    ARG   6           H        ARG   6   2.892   6.418   4.489
   39    HA   ARG   6           HA       ARG   6   1.323   5.982   2.005
   40   1HB   ARG   6          2HB       ARG   6   3.307   7.639   2.352
   41   2HB   ARG   6          1HB       ARG   6   4.387   6.258   2.329
   42   1HG   ARG   6          1HG       ARG   6   4.564   6.589   0.053
   43   2HG   ARG   6          2HG       ARG   6   2.993   5.801  -0.058
   44   1HD   ARG   6          1HD       ARG   6   2.013   8.263   0.356
   45   2HD   ARG   6          2HD       ARG   6   3.651   8.798  -0.101
   46    HE   ARG   6           HE       ARG   6   2.382   6.756  -1.904
   47   1HH1  ARG   6          2HH2      ARG   6   3.069  10.123  -1.418
   48   2HH1  ARG   6          1HH2      ARG   6   2.801  10.518  -3.201
   49   1HH2  ARG   6          1HH1      ARG   6   2.112   7.257  -3.818
   50   2HH2  ARG   6          2HH1      ARG   6   2.282   8.963  -4.511
   51    H    GLN   7           H        GLN   7   3.822   4.256   3.758
   52    HA   GLN   7           HA       GLN   7   3.980   2.060   1.810
   53   1HB   GLN   7          1HB       GLN   7   5.552   1.103   3.292
   54   2HB   GLN   7          2HB       GLN   7   5.700   2.825   3.641
   55   1HG   GLN   7          2HG       GLN   7   4.225   2.524   5.707
   56   2HG   GLN   7          1HG       GLN   7   4.053   0.821   5.360
   57   1HE2  GLN   7          2HE2      GLN   7   7.612   0.302   6.401
   58   2HE2  GLN   7          1HE2      GLN   7   6.738   0.155   4.776
   59    H    ARG   8           H        ARG   8   1.916   2.788   4.475
   60    HA   ARG   8           HA       ARG   8   0.829   0.062   4.797
   61   1HB   ARG   8          2HB       ARG   8   0.650   1.994   6.490
   62   2HB   ARG   8          1HB       ARG   8  -0.440   2.829   5.401
   63   1HG   ARG   8          1HG       ARG   8  -1.494   0.089   5.872
   64   2HG   ARG   8          2HG       ARG   8  -1.153   0.874   7.411
   65   1HD   ARG   8          1HD       ARG   8  -3.293   1.723   7.085
   66   2HD   ARG   8          2HD       ARG   8  -2.429   2.970   6.149
   67    HE   ARG   8           HE       ARG   8  -2.880   1.643   4.065
   68   1HH1  ARG   8          2HH2      ARG   8  -4.757   0.748   6.844
   69   2HH1  ARG   8          1HH2      ARG   8  -6.071  -0.028   5.806
   70   1HH2  ARG   8          1HH1      ARG   8  -4.341   0.787   3.008
   71   2HH2  ARG   8          2HH1      ARG   8  -5.851  -0.010   3.720
   72    H    LEU   9           H        LEU   9  -0.049   2.899   2.929
   73    HA   LEU   9           HA       LEU   9  -2.517   1.731   1.815
   74   1HB   LEU   9          1HB       LEU   9  -2.763   3.792   0.828
   75   2HB   LEU   9          2HB       LEU   9  -1.406   4.273   1.827
   76    HG   LEU   9           HG       LEU   9   0.140   3.643  -0.158
   77   1HD1  LEU   9          3HD2      LEU   9  -1.649   2.310  -1.446
   78   2HD1  LEU   9          1HD2      LEU   9  -2.478   3.829  -1.800
   79   3HD1  LEU   9          2HD2      LEU   9  -0.830   3.550  -2.428
   80   1HD2  LEU   9          2HD1      LEU   9  -0.487   6.013   0.534
   81   2HD2  LEU   9          3HD1      LEU   9  -0.215   5.875  -1.220
   82   3HD2  LEU   9          1HD1      LEU   9  -1.871   5.957  -0.572
   83    H    ALA  10           H        ALA  10   0.829   1.747   0.887
   84    HA   ALA  10           HA       ALA  10   0.384   0.541  -1.756
   85   1HB   ALA  10          2HB       ALA  10   2.479   1.816  -1.145
   86   2HB   ALA  10          3HB       ALA  10   2.910   0.579   0.060
   87   3HB   ALA  10          1HB       ALA  10   2.902   0.177  -1.674
   88    H    ALA  11           H        ALA  11   0.605  -0.690   1.459
   89    HA   ALA  11           HA       ALA  11   1.228  -3.454   0.694
   90   1HB   ALA  11          2HB       ALA  11   1.650  -2.527   3.006
   91   2HB   ALA  11          3HB       ALA  11  -0.097  -2.312   3.266
   92   3HB   ALA  11          1HB       ALA  11   0.591  -3.946   3.110
   93    H    ARG  12           H        ARG  12  -1.694  -1.604   1.030
   94    HA   ARG  12           HA       ARG  12  -3.493  -3.961   0.801
   95   1HB   ARG  12          2HB       ARG  12  -4.085  -1.700   1.885
   96   2HB   ARG  12          1HB       ARG  12  -4.007  -0.941   0.309
   97   1HG   ARG  12          2HG       ARG  12  -6.078  -3.042   1.247
   98   2HG   ARG  12          1HG       ARG  12  -6.388  -1.352   0.863
   99   1HD   ARG  12          1HD       ARG  12  -5.459  -2.028  -1.596
  100   2HD   ARG  12          2HD       ARG  12  -5.899  -3.669  -1.053
  101    HE   ARG  12           HE       ARG  12  -8.198  -2.967  -0.776
  102   1HH1  ARG  12          2HH2      ARG  12  -6.254  -0.332  -1.919
  103   2HH1  ARG  12          1HH2      ARG  12  -7.709   0.540  -2.648
  104   1HH2  ARG  12          1HH1      ARG  12  -9.750  -1.909  -1.492
  105   2HH2  ARG  12          2HH1      ARG  12  -9.625  -0.261  -2.322
  106    H    LEU  13           H        LEU  13  -2.482  -1.347  -1.337
  107    HA   LEU  13           HA       LEU  13  -3.651  -2.326  -3.780
  108   1HB   LEU  13          1HB       LEU  13  -2.625  -0.171  -3.939
  109   2HB   LEU  13          2HB       LEU  13  -1.171  -0.677  -3.103
  110    HG   LEU  13           HG       LEU  13  -0.462  -1.983  -5.165
  111   1HD1  LEU  13          2HD1      LEU  13  -2.743  -2.342  -6.156
  112   2HD1  LEU  13          3HD1      LEU  13  -2.899  -0.599  -6.485
  113   3HD1  LEU  13          1HD1      LEU  13  -1.659  -1.563  -7.323
  114   1HD2  LEU  13          2HD2      LEU  13  -0.972   1.048  -5.583
  115   2HD2  LEU  13          3HD2      LEU  13   0.467   0.298  -4.849
  116   3HD2  LEU  13          1HD2      LEU  13   0.136   0.051  -6.567
  117    H    GLU  14           H        GLU  14  -0.922  -3.458  -2.007
  118    HA   GLU  14           HA       GLU  14   0.219  -5.051  -4.196
  119   1HB   GLU  14          2HB       GLU  14   1.394  -4.235  -2.053
  120   2HB   GLU  14          1HB       GLU  14   0.483  -5.416  -1.146
  121   1HG   GLU  14          1HG       GLU  14   1.618  -7.302  -2.489
  122   2HG   GLU  14          2HG       GLU  14   2.582  -6.110  -3.326
  123    H    ALA  15           H        ALA  15  -1.994  -5.685  -1.557
  124    HA   ALA  15           HA       ALA  15  -2.081  -8.591  -1.937
  125   1HB   ALA  15          2HB       ALA  15  -2.773  -7.455   0.208
  126   2HB   ALA  15          3HB       ALA  15  -4.133  -6.659  -0.620
  127   3HB   ALA  15          1HB       ALA  15  -4.119  -8.428  -0.416
  128    H    LEU  16           H        LEU  16  -3.816  -5.892  -3.275
  129    HA   LEU  16           HA       LEU  16  -5.853  -7.658  -4.552
  130   1HB   LEU  16          1HB       LEU  16  -5.266  -4.634  -4.677
  131   2HB   LEU  16          2HB       LEU  16  -6.448  -5.363  -5.747
  132    HG   LEU  16           HG       LEU  16  -6.583  -4.923  -2.742
  133   1HD1  LEU  16          3HD2      LEU  16  -7.673  -3.319  -4.439
  134   2HD1  LEU  16          1HD2      LEU  16  -8.766  -4.623  -4.916
  135   3HD1  LEU  16          2HD2      LEU  16  -8.812  -3.991  -3.246
  136   1HD2  LEU  16          2HD1      LEU  16  -7.007  -7.408  -3.090
  137   2HD2  LEU  16          3HD1      LEU  16  -8.455  -6.552  -2.503
  138   3HD2  LEU  16          1HD1      LEU  16  -8.318  -7.013  -4.217
  139    H    LYS  17           H        LYS  17  -2.900  -6.103  -5.463
  140    HA   LYS  17           HA       LYS  17  -3.443  -6.557  -8.370
  141   1HB   LYS  17          1HB       LYS  17  -1.485  -5.213  -8.772
  142   2HB   LYS  17          2HB       LYS  17  -2.203  -4.496  -7.335
  143   1HG   LYS  17          2HG       LYS  17  -0.077  -4.683  -6.430
  144   2HG   LYS  17          1HG       LYS  17  -0.490  -6.372  -6.145
  145   1HD   LYS  17          1HD       LYS  17   0.914  -7.209  -7.702
  146   2HD   LYS  17          2HD       LYS  17   0.573  -5.931  -8.885
  147   1HE   LYS  17          1HE       LYS  17   2.172  -4.418  -7.973
  148   2HE   LYS  17          2HE       LYS  17   2.059  -5.088  -6.338
  149   1HZ   LYS  17          2HZ       LYS  17   3.090  -6.777  -8.530
  150   2HZ   LYS  17          3HZ       LYS  17   4.089  -5.648  -7.784
  151   3HZ   LYS  17          1HZ       LYS  17   3.384  -6.876  -6.877
  152    H    GLU  18           H        GLU  18  -2.697  -8.659  -6.104
  153    HA   GLU  18           HA       GLU  18  -0.485 -10.185  -6.933
  154   1HB   GLU  18          2HB       GLU  18  -1.999 -10.844  -5.093
  155   2HB   GLU  18          1HB       GLU  18  -3.336 -11.079  -6.191
  156   1HG   GLU  18          2HG       GLU  18  -1.717 -12.999  -7.280
  157   2HG   GLU  18          1HG       GLU  18  -0.924 -12.921  -5.727
  158    H    ASN  19           H        ASN  19  -3.559 -11.431  -8.067
  159    HA   ASN  19           HA       ASN  19  -2.565 -12.499 -10.519
  160   1HB   ASN  19          1HB       ASN  19  -5.351 -11.437  -9.715
  161   2HB   ASN  19          2HB       ASN  19  -5.101 -12.058 -11.330
  162   1HD2  ASN  19          1HD2      ASN  19  -5.183 -15.441 -10.164
  163   2HD2  ASN  19          2HD2      ASN  19  -4.633 -14.352 -11.551
  164    H    GLY  20           H        GLY  20  -4.150  -9.375 -10.045
  165   1HA   GLY  20          2HA       GLY  20  -2.457  -8.145 -12.203
  166   2HA   GLY  20          1HA       GLY  20  -4.158  -8.351 -12.668