*HEADER   LIPID TRANSPORT                         02-MAR-96   1ODQ              
*TITLE    PEPTIDE OF HUMAN APOA-I RESIDUES 166 - 185.  NMR,                     
*TITLE   2 5 STRUCTURES AT PH 3.7, 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 1ODQ    0                                                



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

!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_16:HD1*   1:LEU_16:HD2*   1:LEU_16:CD1    1:LEU_16:CD2    1:LEU_16:CG    
1:LEU_5:HD1*    1:LEU_5:HD2*    1:LEU_5:CD1     1:LEU_5:CD2     1:LEU_5:CG     
!
#NOE_distance
1:SER_2:HN         1:TYRN_1:HA         1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:SER_2:HN         1:SER_2:HB*         1.800  3.700  2.500 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:ALA_10:HA         1.800  2.990  2.500 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  2.910  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:ASN_19:HN        1:ASN_19:HA         2.510  3.500  3.500 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:GLU_18:HN        1:ALA_15:HA         2.510  3.520  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:GLU_14:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HA        1.800  2.910  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:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLN_7:HG1         2.510  3.500  3.389 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLN_7:HG2         2.510  3.500  3.389 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:LEU_9:HB1         1.800  2.840  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:HB2       1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ARG+_6:HB*        1.800  3.800  2.500 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:GLU_18:HB*        1.800  3.500  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:GLU_18:HN        1:ASN_19:HN         1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:ASN_19:HD22      1:ASN_19:HD21       1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:SER_2:HB*        1:SER_2:HA          1.800  3.500  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:GLU_18:HG1       1:GLU_18:HA         2.510  3.950  4.227 32.00 32.00 100.000  0.00
1:GLU_18:HG2       1:GLU_18:HA         2.510  3.900  4.227 32.00 32.00 100.000  0.00
1:ARG+_6:HB*       1:ARG+_6:HA         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_9:HB2        1:ARG+_6:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HB1        1:ARG+_6:HA         1.800  2.770  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HG*       1:ARG+_6:HA         1.800  3.900  2.500 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:GLYC_20:HA*       1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:ASN_19:HA         2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:GLU_18:HA         1.800  2.940  2.500 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:GLYC_20:HN       1:LEU_16:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HG2       2.510  3.600  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  5.250  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HB2       3.510  5.250  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HE        1:ARG+_8:HB1        3.510  5.000  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+_8:HE        1:ARG+_8:HG1        2.510  3.630  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HE        1:ARG+_8:HG2        2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HD1       1.800  2.900  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HD2       1.800  2.940  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HE        1:ASP-_3:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HE       1:ARG+_12:HA        3.510  5.120  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HD*      1:LYS+_17:HE*       1.800  4.500  2.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HB1        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LEU_16:HB2        3.510  5.000  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:HB2       2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:LYS+_17:HB1       2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:SER_2:HN         1:TYRN_1:HB2        2.510  4.300  3.500 32.00 32.00 100.000  0.00
1:SER_2:HN         1:TYRN_1:HB1        2.510  4.200  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HE        1:ASP-_3:HB*        3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:SER_2:HN          2.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:LEU_9:HN          1.800  2.590  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:GLU_18:HN         1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HE        1:ARG+_6:HN         3.510  5.100  5.000 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:LEU_13:HB1        1.800  2.700  2.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:LEU_13:HD*        3.510  7.400  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:LEU_13:HN         1.800  2.590  2.500 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:TYRN_1:HA         3.510  7.000  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:ASP-_3:HA         2.510  6.100  3.500 32.00 32.00 100.000  0.00
1:LYS+_17:HD*      1:GLU_14:HA         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HB2      1:GLU_14:HA         3.510  5.100  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HB1      1:GLU_14:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_12:HG1      1:ARG+_12:HA        2.510  3.850  3.500 32.00 32.00 100.000  0.00
1:ARG+_12:HG2      1:ARG+_12:HA        2.510  3.850  3.500 32.00 32.00 100.000  0.00
1:GLU_4:HN         1:ASP-_3:HA         1.800  2.730  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HA          1.800  2.970  2.500 32.00 32.00 100.000  0.00
1:GLU_4:HN         1:GLU_4:HA          1.800  2.970  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLU_4:HA          2.510  3.500  3.500 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:SER_2:HN         1:SER_2:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:TYRN_1:HA         1.800  4.500  2.500 32.00 32.00 100.000  0.00
1:GLU_4:HN         1:SER_2:HB*         3.510  6.000  5.000 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*        2.510  4.500  3.500 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:ASP-_3:HB*        1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:ASN_19:HD21      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:HB2        2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:ASN_19:HB1        2.510  3.500  3.389 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:GLU_18:HG1        2.510  3.600  3.389 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:GLU_18:HG2        2.510  3.600  3.389 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:ARG+_6:HD2       1:ARG+_6:HD1        1.800  2.500  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: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:HN         1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HN          1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLU_4:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:ARG+_12:HA        2.510  3.500  3.500 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:ARG+_6:HE        1:ARG+_6:HD1        1.800  3.500  2.500 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:HE        1:LEU_5:HA          3.510  5.100  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HE        1:ARG+_8:HA         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLU_4:HB1         2.510  3.870  3.389 32.00 32.00 100.000  0.00
1:GLU_4:HN         1:GLU_4:HB2         2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:GLU_4:HN         1:GLU_4:HB1         2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HB*        1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HD1      1:ARG+_12:HA        2.510  3.500  3.385 32.00 32.00 100.000  0.00
1:ARG+_12:HD2      1:ARG+_12:HA        2.510  3.500  3.385 32.00 32.00 100.000  0.00
1:ARG+_12:HB2      1:ARG+_12:HA        1.800  3.500  2.500 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:HB1       1:ASN_19:HA         1.800  3.500  3.389 32.00 32.00 100.000  0.00
1:ASN_19:HB2       1:ASN_19:HA         1.800  3.500  2.389 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:HG1        1:GLN_7:HA          2.510  3.500  3.389 32.00 32.00 100.000  0.00
1:GLN_7:HG2        1:GLN_7:HA          2.510  3.500  3.389 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:LYS+_17:HB2      1:LYS+_17:HE*       3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:LEU_13:HD*       1:LYS+_17:HE*       3.510  8.400  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HG1      1:LYS+_17:HE*       2.510  4.500  4.413 32.00 32.00 100.000  0.00
1:LYS+_17:HG2      1:LYS+_17:HE*       2.510  4.500  4.413 32.00 32.00 100.000  0.00
1:ARG+_6:HB*       1:ASP-_3:HB*        3.510  7.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HG*       1:ASP-_3:HB*        3.510  7.000  5.000 32.00 32.00 100.000  0.00
1:LEU_13:HD*       1:ALA_10:HA         2.510  5.900  5.900 32.00 32.00 100.000  0.00
1:LEU_13:HB2       1:ALA_10:HA         2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:LEU_13:HB1       1:ALA_10:HA         2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HG         1:ARG+_6:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HB1        1.800  2.700  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HB2        1.800  2.700  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HG         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HA         1.800  2.950  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HG        1:LEU_16:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ALA_15:HB*       1:ARG+_12:HA        1.800  4.000  2.500 32.00 32.00 100.000  0.00
1:LEU_16:HD1*      1:LEU_13:HA         3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:GLU_4:HN         1:SER_2:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:SER_2:HA          1.800  2.500  2.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HA          3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:GLN_7:HA          1.800  2.940  2.500 32.00 32.00 100.000  0.00
1:ASP-_3:HN        1:SER_2:HB*         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:GLU_14:HN        1:GLU_14:HB1        1.800  2.500  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  2.940  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:HN        1:ARG+_8:HG1        2.510  3.600  3.501 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HB1         2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_5:HB2         2.510  3.800  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HG*        1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HB1       1.800  2.700  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LEU_16:HB1        2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ARG+_6:HG*        2.510  4.600  3.500 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:HA         3.510  5.300  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:LEU_16:HN        1:LYS+_17: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  3.500  2.500 32.00 32.00 100.000  0.00
1:GLU_14:HB1       1:GLU_14:HA         1.800  3.500  2.342 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HB1         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HB2         1.800  3.500  2.500 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HG          2.510  5.000  3.500 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:LYS+_17:HG2       3.510  5.200  5.000 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:LYS+_17:HD*       3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:LYS+_17:HG1       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:LEU_9:HD*         2.510  5.900  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  2.940  2.500 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:HD*       1:ASP-_3:HA         3.510  7.000  5.000 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:LYS+_17:HA        3.510  6.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:GLU_4:HA          3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:ASP-_3:HA         2.510  3.500  3.500 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:TYRN_1:HE*       1:TYRN_1:HB1        3.510  7.000  6.946 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:TYRN_1:HB2        3.510  7.000  6.946 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:ASP-_3:HB*        3.510  8.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:GLN_7:HG1         3.510  5.000  4.923 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:GLN_7:HG2         3.510  5.000  4.923 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:ASN_19:HB2        3.510  5.000  5.726 32.00 32.00 100.000  0.00
1:ASN_19:HD22      1:ASN_19:HB1        2.510  5.000  5.726 32.00 32.00 100.000  0.00
1:ASN_19:HD22      1:ASN_19:HB2        2.510  5.000  5.726 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HD1       3.510  5.060  4.920 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ARG+_12:HD2       3.510  5.000  4.920 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HD1        3.510  5.800  4.920 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:ARG+_6:HD2        3.510  5.800  4.920 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLU_4:HG*         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HD*       1:SER_2:HN          3.210  7.000  5.000 32.00 32.00 100.000  0.00
1:TYRN_1:HE*       1:ASP-_3:HN         3.510  7.000  5.000 32.00 32.00 100.000  0.00
1:LEU_9:HD*        1:ARG+_6:HA         2.510  5.900  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:ASP-_3:HB*       1:SER_2:HA          3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HB1       1:LEU_16:HA         2.510  5.300  4.226 32.00 32.00 100.000  0.00
1:ASN_19:HB2       1:LEU_16:HA         2.510  5.300  4.226 32.00 32.00 100.000  0.00
1:GLYC_20:HN       1:GLU_18:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:LEU_16:HA         2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLN_7:HB*        1:GLU_4:HA          2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:ARG+_8:HB1       1:LEU_5:HA          2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:GLU_4:HG*        1:SER_2:HB*         3.510  7.000  3.500 32.00 32.00 100.000  0.00
1:LEU_5:HD1*       1:SER_2:HB*         3.510  7.500  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HB*       1:ASP-_3:HA         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HG*       1:ASP-_3:HA         3.510  6.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HD2       1:LEU_5:HA          2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:ARG+_6:HD2       1:ARG+_6:HA         3.510  5.000  4.920 32.00 32.00 100.000  0.00
1:LEU_9:HD*        1:ARG+_6:HD2        2.510  6.500  5.730 32.00 32.00 100.000  0.00
1:LEU_9:HD*        1:ARG+_6:HD1        2.510  6.500  5.730 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:HD*         2.510  5.900  5.575 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HD1*       3.510  5.240  4.739 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:LEU_16:HD2*       3.510  5.310  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  4.100  3.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:LEU_9:HB1         1.800  2.900  2.500 32.00 32.00 100.000  0.00
1:LEU_9:HN         1:ARG+_8:HB2        2.510  4.050  3.500 32.00 32.00 100.000  0.00
1:LEU_13:HN        1:ARG+_12:HB2       2.510  3.700  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:ALA_15:HB*        1.800  4.000  2.500 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HG2       3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:LYS+_17:HG1       3.510  5.000  5.387 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU_14:HB1        2.510  3.700  3.500 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:HG*        3.510  6.000  4.923 32.00 32.00 100.000  0.00
1:GLU_14:HN        1:LEU_13:HB2        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:GLU_14:HN        1:LEU_13:HB1        2.510  3.700  3.500 32.00 32.00 100.000  0.00
1:GLU_14:HN        1:GLU_14:HG*        2.510  4.500  3.389 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:GLN_7:HB*         1.800  3.500  2.500 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:LEU_9:HA          2.510  3.500  3.500 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:ALA_10:HN        1:ARG+_8:HA         3.510  5.000  5.000 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:HN        1:ALA_11:HA         2.510  3.580  3.500 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+_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:ARG+_8:HN        1:ARG+_6:HA         3.510  5.000  5.000 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  2.880  2.500 32.00 32.00 100.000  0.00
1:ARG+_12:HN       1:ALA_11:HA         2.510  3.600  3.500 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:ALA_11:HA         1.800  3.020  2.500 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_16:HN        1:GLU_14:HA         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:LYS+_17:HN        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:GLU_18:HN         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LYS+_17:HN       1:ASN_19:HN         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:LEU_5:HN         1:GLN_7:HN          3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ALA_10:HN        1:ARG+_12:HN        3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:LEU_9:HN          3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ALA_11:HN        1:LEU_13:HN         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_6:HN        1:LEU_9:HN          3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLN_7:HN         1:ALA_10:HN         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:ARG+_8:HN        1:ALA_11:HN         3.510  5.000  5.000 32.00 32.00 100.000  0.00
1:GLU_14:HN        1:LYS+_17:HN        3.510  5.100  5.000 32.00 32.00 100.000  0.00
1:ALA_15:HN        1:GLU_18:HN         3.510  5.100  5.000 32.00 32.00 100.000  0.00
1:ASN_19:HN        1:GLYC_20:HN        2.510  3.500  3.500 32.00 32.00 100.000  0.00
1:LEU_16:HN        1:ASN_19:HN         3.510  5.000  5.000 32.00 32.00 100.000  0.00
!1:TYRN_1:HD*       1:LEU_5:HD2*        3.510  8.500  5.000 32.00 32.00 100.000  0.00
!1:TYRN_1:HE*       1:LEU_5:HD2*        3.510  8.500  5.000 32.00 32.00 100.000  0.00
1:GLU_18:HN        1:GLYC_20:HN        3.510  5.000  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          1H        TYR   1 -18.298  -0.243   3.934
    2   2H    TYR   1          2H        TYR   1 -18.990  -1.776   3.916
    3   3H    TYR   1          3H        TYR   1 -17.783  -1.411   5.028
    4    HA   TYR   1           HA       TYR   1 -16.855  -2.751   3.327
    5   1HB   TYR   1          1HB       TYR   1 -18.555  -2.121   1.533
    6   2HB   TYR   1          2HB       TYR   1 -17.929  -0.498   1.473
    7    HD1  TYR   1           HD2      TYR   1 -16.991  -4.050   0.697
    8    HD2  TYR   1           HD1      TYR   1 -16.084   0.110   0.099
    9    HE1  TYR   1           HE2      TYR   1 -15.444  -4.639  -1.135
   10    HE2  TYR   1           HE1      TYR   1 -14.547  -0.489  -1.721
   11    HH   TYR   1           HH       TYR   1 -14.337  -2.489  -3.354
   12    H    SER   2           H        SER   2 -14.807  -2.602   3.384
   13    HA   SER   2           HA       SER   2 -13.640   0.165   3.842
   14   1HB   SER   2          1HB       SER   2 -13.527  -1.280   5.886
   15   2HB   SER   2          2HB       SER   2 -12.679  -2.543   5.008
   16    HG   SER   2           HG       SER   2 -10.934  -1.503   5.518
   17    H    ASP   3           H        ASP   3 -12.987   0.779   1.969
   18    HA   ASP   3           HA       ASP   3 -11.171  -1.049   0.452
   19   1HB   ASP   3          1HB       ASP   3 -11.236   1.066  -1.239
   20   2HB   ASP   3          2HB       ASP   3 -12.603  -0.020  -1.132
   21    H    GLU   4           H        GLU   4 -10.309  -0.205   2.909
   22    HA   GLU   4           HA       GLU   4  -8.075   1.700   2.234
   23   1HB   GLU   4          1HB       GLU   4  -8.790   0.354   4.924
   24   2HB   GLU   4          2HB       GLU   4  -7.639   1.650   4.708
   25   1HG   GLU   4          1HG       GLU   4  -9.808   3.007   3.755
   26   2HG   GLU   4          2HG       GLU   4 -10.715   1.794   4.622
   27    HE2  GLU   4           HE2      GLU   4  -8.974   4.777   6.547
   28    H    LEU   5           H        LEU   5  -8.725  -1.642   2.890
   29    HA   LEU   5           HA       LEU   5  -6.087  -2.528   3.566
   30   1HB   LEU   5          2HB       LEU   5  -8.393  -3.856   3.397
   31   2HB   LEU   5          1HB       LEU   5  -7.955  -4.141   1.724
   32    HG   LEU   5           HG       LEU   5  -6.131  -4.974   4.052
   33   1HD1  LEU   5          2HD1      LEU   5  -8.381  -6.055   4.333
   34   2HD1  LEU   5          3HD1      LEU   5  -8.320  -6.668   2.662
   35   3HD1  LEU   5          1HD1      LEU   5  -7.155  -7.252   3.875
   36   1HD2  LEU   5          2HD2      LEU   5  -6.269  -5.904   1.097
   37   2HD2  LEU   5          3HD2      LEU   5  -4.966  -4.959   1.859
   38   3HD2  LEU   5          1HD2      LEU   5  -5.231  -6.635   2.352
   39    H    ARG   6           H        ARG   6  -7.510  -1.938   0.414
   40    HA   ARG   6           HA       ARG   6  -5.204  -2.989  -1.052
   41   1HB   ARG   6          1HB       ARG   6  -7.461  -1.044  -1.915
   42   2HB   ARG   6          2HB       ARG   6  -6.310  -1.755  -3.030
   43   1HG   ARG   6          1HG       ARG   6  -7.362  -4.053  -1.689
   44   2HG   ARG   6          2HG       ARG   6  -8.747  -2.966  -1.728
   45   1HD   ARG   6          1HD       ARG   6  -7.318  -3.006  -4.349
   46   2HD   ARG   6          2HD       ARG   6  -7.817  -4.638  -3.834
   47    HE   ARG   6           HE       ARG   6  -9.842  -2.412  -3.568
   48   1HH1  ARG   6          2HH2      ARG   6  -8.830  -5.227  -5.329
   49   2HH1  ARG   6          1HH2      ARG   6 -10.476  -5.406  -6.146
   50   1HH2  ARG   6          1HH1      ARG   6 -11.594  -2.669  -4.489
   51   2HH2  ARG   6          2HH1      ARG   6 -11.982  -4.018  -5.694
   52    H    GLN   7           H        GLN   7  -6.047   0.092   0.300
   53    HA   GLN   7           HA       GLN   7  -3.928   1.628  -1.035
   54   1HB   GLN   7          1HB       GLN   7  -5.409   2.004   1.651
   55   2HB   GLN   7          2HB       GLN   7  -4.277   3.188   1.002
   56   1HG   GLN   7          1HG       GLN   7  -5.928   3.138  -1.167
   57   2HG   GLN   7          2HG       GLN   7  -7.078   2.444  -0.051
   58   1HE2  GLN   7          2HE2      GLN   7  -7.571   5.692   1.522
   59   2HE2  GLN   7          1HE2      GLN   7  -7.575   3.875   1.873
   60    H    ARG   8           H        ARG   8  -4.073  -0.465   1.735
   61    HA   ARG   8           HA       ARG   8  -1.361   0.232   2.679
   62   1HB   ARG   8          1HB       ARG   8  -3.268  -2.144   3.240
   63   2HB   ARG   8          2HB       ARG   8  -1.683  -2.032   3.984
   64   1HG   ARG   8          1HG       ARG   8  -2.574   0.425   4.788
   65   2HG   ARG   8          2HG       ARG   8  -4.158  -0.252   4.425
   66   1HD   ARG   8          2HD       ARG   8  -3.667  -2.195   5.999
   67   2HD   ARG   8          1HD       ARG   8  -2.075  -1.477   6.360
   68    HE   ARG   8           HE       ARG   8  -4.756  -0.447   7.214
   69   1HH1  ARG   8          2HH2      ARG   8  -1.354   0.216   7.040
   70   2HH1  ARG   8          1HH2      ARG   8  -1.470   1.550   8.311
   71   1HH2  ARG   8          1HH1      ARG   8  -4.838   1.173   8.392
   72   2HH2  ARG   8          2HH1      ARG   8  -3.362   2.064   9.062
   73    H    LEU   9           H        LEU   9  -2.727  -1.958   0.368
   74    HA   LEU   9           HA       LEU   9  -0.361  -3.705   0.163
   75   1HB   LEU   9          2HB       LEU   9  -2.218  -4.786  -0.772
   76   2HB   LEU   9          1HB       LEU   9  -2.957  -3.294  -1.326
   77    HG   LEU   9           HG       LEU   9  -1.261  -3.228  -3.249
   78   1HD1  LEU   9          3HD2      LEU   9   0.415  -4.877  -2.190
   79   2HD1  LEU   9          1HD2      LEU   9  -0.730  -6.186  -2.502
   80   3HD1  LEU   9          2HD2      LEU   9  -0.028  -5.276  -3.869
   81   1HD2  LEU   9          2HD1      LEU   9  -3.666  -4.030  -3.459
   82   2HD2  LEU   9          3HD1      LEU   9  -2.579  -4.850  -4.608
   83   3HD2  LEU   9          1HD1      LEU   9  -3.128  -5.689  -3.137
   84    H    ALA  10           H        ALA  10  -1.505  -0.854  -1.522
   85    HA   ALA  10           HA       ALA  10   0.798  -0.890  -3.399
   86   1HB   ALA  10          2HB       ALA  10  -1.465   0.026  -4.060
   87   2HB   ALA  10          3HB       ALA  10  -1.348   1.283  -2.805
   88   3HB   ALA  10          1HB       ALA  10  -0.234   1.297  -4.194
   89    H    ALA  11           H        ALA  11  -0.004   0.608  -0.370
   90    HA   ALA  11           HA       ALA  11   1.952   2.766  -0.502
   91   1HB   ALA  11          2HB       ALA  11   0.019   2.721   1.130
   92   2HB   ALA  11          3HB       ALA  11   0.730   1.321   1.968
   93   3HB   ALA  11          1HB       ALA  11   1.551   2.900   2.007
   94    H    ARG  12           H        ARG  12   2.130  -0.553   0.619
   95    HA   ARG  12           HA       ARG  12   4.795  -0.334   1.749
   96   1HB   ARG  12          1HB       ARG  12   3.133  -2.205   2.213
   97   2HB   ARG  12          2HB       ARG  12   3.305  -2.779   0.566
   98   1HG   ARG  12          1HG       ARG  12   4.685  -4.182   2.144
   99   2HG   ARG  12          2HG       ARG  12   5.751  -3.347   1.019
  100   1HD   ARG  12          1HD       ARG  12   6.567  -1.855   2.693
  101   2HD   ARG  12          2HD       ARG  12   5.104  -2.003   3.700
  102    HE   ARG  12           HE       ARG  12   7.438  -3.821   3.677
  103   1HH1  ARG  12          2HH2      ARG  12   4.018  -3.816   4.261
  104   2HH1  ARG  12          1HH2      ARG  12   4.149  -5.152   5.529
  105   1HH2  ARG  12          1HH1      ARG  12   7.509  -5.227   5.108
  106   2HH2  ARG  12          2HH1      ARG  12   6.027  -6.037   5.863
  107    H    LEU  13           H        LEU  13   3.597  -0.947  -1.462
  108    HA   LEU  13           HA       LEU  13   6.157  -1.786  -2.601
  109   1HB   LEU  13          1HB       LEU  13   3.594  -1.820  -3.552
  110   2HB   LEU  13          2HB       LEU  13   4.071  -0.288  -4.259
  111    HG   LEU  13           HG       LEU  13   4.251  -2.541  -5.637
  112   1HD1  LEU  13          2HD1      LEU  13   4.925  -0.267  -6.466
  113   2HD1  LEU  13          3HD1      LEU  13   6.518  -0.431  -5.687
  114   3HD1  LEU  13          1HD1      LEU  13   6.060  -1.509  -7.027
  115   1HD2  LEU  13          2HD2      LEU  13   6.967  -2.586  -4.141
  116   2HD2  LEU  13          3HD2      LEU  13   5.709  -3.846  -4.108
  117   3HD2  LEU  13          1HD2      LEU  13   6.591  -3.534  -5.606
  118    H    GLU  14           H        GLU  14   4.653   1.302  -2.057
  119    HA   GLU  14           HA       GLU  14   6.549   2.838  -3.706
  120   1HB   GLU  14          2HB       GLU  14   4.192   3.545  -2.934
  121   2HB   GLU  14          1HB       GLU  14   4.797   3.695  -1.304
  122   1HG   GLU  14          1HG       GLU  14   6.355   5.581  -2.024
  123   2HG   GLU  14          2HG       GLU  14   5.812   5.430  -3.676
  124    HE2  GLU  14           HE2      GLU  14   3.195   7.517  -3.256
  125    H    ALA  15           H        ALA  15   6.312   1.952  -0.320
  126    HA   ALA  15           HA       ALA  15   8.744   3.423   0.480
  127   1HB   ALA  15          2HB       ALA  15   6.898   2.814   2.102
  128   2HB   ALA  15          3HB       ALA  15   7.221   1.081   1.853
  129   3HB   ALA  15          1HB       ALA  15   8.438   2.116   2.640
  130    H    LEU  16           H        LEU  16   8.141   0.408  -1.049
  131    HA   LEU  16           HA       LEU  16  10.744  -0.782  -0.363
  132   1HB   LEU  16          2HB       LEU  16   8.619  -2.014  -1.226
  133   2HB   LEU  16          1HB       LEU  16   8.963  -1.373  -2.821
  134    HG   LEU  16           HG       LEU  16   9.858  -3.822  -1.711
  135   1HD1  LEU  16          2HD1      LEU  16   9.327  -3.338  -4.118
  136   2HD1  LEU  16          3HD1      LEU  16  10.809  -2.362  -4.272
  137   3HD1  LEU  16          1HD1      LEU  16  10.915  -4.112  -3.962
  138   1HD2  LEU  16          2HD2      LEU  16  12.274  -1.908  -2.061
  139   2HD2  LEU  16          3HD2      LEU  16  11.789  -2.754  -0.571
  140   3HD2  LEU  16          1HD2      LEU  16  12.386  -3.686  -1.948
  141    H    LYS  17           H        LYS  17   9.592   1.338  -2.862
  142    HA   LYS  17           HA       LYS  17  12.045   1.077  -4.490
  143   1HB   LYS  17          2HB       LYS  17   9.573   1.838  -5.178
  144   2HB   LYS  17          1HB       LYS  17  10.032   3.418  -4.572
  145   1HG   LYS  17          1HG       LYS  17  11.205   3.931  -6.499
  146   2HG   LYS  17          2HG       LYS  17  12.184   2.473  -6.363
  147   1HD   LYS  17          1HD       LYS  17  11.096   1.658  -8.196
  148   2HD   LYS  17          2HD       LYS  17   9.563   1.656  -7.301
  149   1HE   LYS  17          1HE       LYS  17  10.488   4.399  -8.219
  150   2HE   LYS  17          2HE       LYS  17  10.037   3.297  -9.529
  151   1HZ   LYS  17          1HZ       LYS  17   8.279   3.470  -7.172
  152   2HZ   LYS  17          2HZ       LYS  17   8.238   4.695  -8.323
  153   3HZ   LYS  17          3HZ       LYS  17   7.901   3.109  -8.771
  154    H    GLU  18           H        GLU  18  10.733   3.357  -2.168
  155    HA   GLU  18           HA       GLU  18  12.986   5.236  -2.270
  156   1HB   GLU  18          1HB       GLU  18  10.938   4.580  -0.047
  157   2HB   GLU  18          2HB       GLU  18  12.072   5.905   0.059
  158   1HG   GLU  18          1HG       GLU  18  10.382   5.977  -2.449
  159   2HG   GLU  18          2HG       GLU  18   9.438   6.049  -0.983
  160    HE2  GLU  18           HE2      GLU  18  10.336   9.362  -2.243
  161    H    ASN  19           H        ASN  19  12.368   2.233  -0.637
  162    HA   ASN  19           HA       ASN  19  14.991   2.577   0.867
  163   1HB   ASN  19          2HB       ASN  19  12.533   2.208   2.070
  164   2HB   ASN  19          1HB       ASN  19  12.872   0.530   1.717
  165   1HD2  ASN  19          1HD2      ASN  19  15.468   2.167   4.395
  166   2HD2  ASN  19          2HD2      ASN  19  15.068   3.128   2.869
  167    H    GLY  20           H        GLY  20  14.756   1.756  -1.799
  168   1HA   GLY  20          1HA       GLY  20  16.008  -1.005  -1.497
  169   2HA   GLY  20          2HA       GLY  20  14.782  -0.754  -2.758
   
  No H/Q in entry =         169
  Start of MODEL    2
    1   1H    TYR   1          3H        TYR   1 -18.168   0.541   3.243
    2   2H    TYR   1          1H        TYR   1 -18.361   0.590   1.572
    3   3H    TYR   1          2H        TYR   1 -19.194  -0.553   2.482
    4    HA   TYR   1           HA       TYR   1 -17.336  -1.800   2.950
    5   1HB   TYR   1          2HB       TYR   1 -16.601  -2.481   0.776
    6   2HB   TYR   1          1HB       TYR   1 -18.146  -1.756   0.433
    7    HD1  TYR   1           HD1      TYR   1 -18.233   0.444  -0.795
    8    HD2  TYR   1           HD2      TYR   1 -14.480  -1.490   0.019
    9    HE1  TYR   1           HE1      TYR   1 -17.127   1.892  -2.442
   10    HE2  TYR   1           HE2      TYR   1 -13.381  -0.030  -1.641
   11    HH   TYR   1           HH       TYR   1 -13.849   2.299  -2.610
   12    H    SER   2           H        SER   2 -15.244  -2.042   3.323
   13    HA   SER   2           HA       SER   2 -13.669   0.554   3.385
   14   1HB   SER   2          1HB       SER   2 -14.183  -1.521   5.449
   15   2HB   SER   2          2HB       SER   2 -12.457  -1.263   5.253
   16    HG   SER   2           HG       SER   2 -13.898   0.151   6.719
   17    H    ASP   3           H        ASP   3 -12.606   0.528   1.584
   18    HA   ASP   3           HA       ASP   3 -10.877  -1.842   1.020
   19   1HB   ASP   3          1HB       ASP   3 -10.634  -0.987  -1.227
   20   2HB   ASP   3          2HB       ASP   3 -12.256  -0.495  -0.793
   21    H    GLU   4           H        GLU   4 -10.337  -0.513   3.341
   22    HA   GLU   4           HA       GLU   4  -7.992   1.253   2.939
   23   1HB   GLU   4          2HB       GLU   4  -8.814  -0.312   5.471
   24   2HB   GLU   4          1HB       GLU   4  -7.764   1.082   5.416
   25   1HG   GLU   4          1HG       GLU   4  -9.759   2.529   4.649
   26   2HG   GLU   4          2HG       GLU   4 -10.805   1.140   4.807
   27    HE2  GLU   4           HE2      GLU   4 -10.377   3.465   7.806
   28    H    LEU   5           H        LEU   5  -8.572  -2.138   3.425
   29    HA   LEU   5           HA       LEU   5  -5.885  -3.007   3.929
   30   1HB   LEU   5          2HB       LEU   5  -6.657  -5.153   3.508
   31   2HB   LEU   5          1HB       LEU   5  -8.179  -4.342   3.815
   32    HG   LEU   5           HG       LEU   5  -8.401  -4.123   1.198
   33   1HD1  LEU   5          3HD2      LEU   5  -5.990  -4.913   0.715
   34   2HD1  LEU   5          1HD2      LEU   5  -6.445  -6.524   1.279
   35   3HD1  LEU   5          2HD2      LEU   5  -7.242  -5.830  -0.160
   36   1HD2  LEU   5          2HD1      LEU   5  -9.788  -5.590   2.742
   37   2HD2  LEU   5          3HD1      LEU   5  -9.541  -6.335   1.143
   38   3HD2  LEU   5          1HD1      LEU   5  -8.602  -6.895   2.548
   39    H    ARG   6           H        ARG   6  -7.477  -2.517   0.824
   40    HA   ARG   6           HA       ARG   6  -5.181  -3.498  -0.707
   41   1HB   ARG   6          1HB       ARG   6  -7.489  -1.636  -1.623
   42   2HB   ARG   6          2HB       ARG   6  -6.425  -2.534  -2.690
   43   1HG   ARG   6          1HG       ARG   6  -7.570  -4.537  -0.921
   44   2HG   ARG   6          2HG       ARG   6  -8.889  -3.423  -1.266
   45   1HD   ARG   6          2HD       ARG   6  -7.104  -4.589  -3.501
   46   2HD   ARG   6          1HD       ARG   6  -8.550  -5.436  -2.893
   47    HE   ARG   6           HE       ARG   6  -9.448  -2.796  -3.374
   48   1HH1  ARG   6          2HH2      ARG   6  -7.967  -5.228  -5.360
   49   2HH1  ARG   6          1HH2      ARG   6  -8.791  -4.597  -6.886
   50   1HH2  ARG   6          1HH1      ARG   6 -10.308  -2.174  -5.065
   51   2HH2  ARG   6          2HH1      ARG   6 -10.065  -2.937  -6.732
   52    H    GLN   7           H        GLN   7  -6.138  -0.405   0.546
   53    HA   GLN   7           HA       GLN   7  -4.110   1.148  -0.919
   54   1HB   GLN   7          1HB       GLN   7  -5.537   1.600   1.785
   55   2HB   GLN   7          2HB       GLN   7  -4.419   2.775   1.095
   56   1HG   GLN   7          2HG       GLN   7  -6.134   2.623  -1.056
   57   2HG   GLN   7          1HG       GLN   7  -7.252   2.032   0.149
   58   1HE2  GLN   7          2HE2      GLN   7  -6.245   5.862   1.011
   59   2HE2  GLN   7          1HE2      GLN   7  -4.910   4.604   0.779
   60    H    ARG   8           H        ARG   8  -4.178  -0.662   2.065
   61    HA   ARG   8           HA       ARG   8  -1.417  -0.004   2.853
   62   1HB   ARG   8          2HB       ARG   8  -3.677  -1.693   3.791
   63   2HB   ARG   8          1HB       ARG   8  -2.189  -2.613   3.890
   64   1HG   ARG   8          2HG       ARG   8  -1.108  -0.721   5.253
   65   2HG   ARG   8          1HG       ARG   8  -2.634   0.156   5.220
   66   1HD   ARG   8          2HD       ARG   8  -3.607  -2.220   6.169
   67   2HD   ARG   8          1HD       ARG   8  -1.928  -2.362   6.753
   68    HE   ARG   8           HE       ARG   8  -3.937  -0.254   7.521
   69   1HH1  ARG   8          2HH2      ARG   8  -0.648  -1.332   7.785
   70   2HH1  ARG   8          1HH2      ARG   8  -0.325  -0.242   9.239
   71   1HH2  ARG   8          1HH1      ARG   8  -3.559   0.769   9.196
   72   2HH2  ARG   8          2HH1      ARG   8  -1.902   0.911  10.006
   73    H    LEU   9           H        LEU   9  -2.851  -2.103   0.554
   74    HA   LEU   9           HA       LEU   9  -0.607  -4.024   0.471
   75   1HB   LEU   9          1HB       LEU   9  -3.229  -3.586  -0.943
   76   2HB   LEU   9          2HB       LEU   9  -1.990  -4.222  -2.006
   77    HG   LEU   9           HG       LEU   9  -2.376  -5.659   0.639
   78   1HD1  LEU   9          2HD1      LEU   9  -4.731  -5.166  -0.084
   79   2HD1  LEU   9          3HD1      LEU   9  -4.410  -5.874  -1.686
   80   3HD1  LEU   9          1HD1      LEU   9  -4.371  -6.897  -0.230
   81   1HD2  LEU   9          2HD2      LEU   9  -1.897  -6.642  -2.263
   82   2HD2  LEU   9          3HD2      LEU   9  -0.698  -6.572  -0.948
   83   3HD2  LEU   9          1HD2      LEU   9  -2.051  -7.703  -0.835
   84    H    ALA  10           H        ALA  10  -1.637  -1.280  -1.459
   85    HA   ALA  10           HA       ALA  10   0.949  -1.420  -2.983
   86   1HB   ALA  10          2HB       ALA  10  -1.233  -0.957  -4.189
   87   2HB   ALA  10          3HB       ALA  10  -1.486   0.510  -3.214
   88   3HB   ALA  10          1HB       ALA  10  -0.132   0.424  -4.366
   89    H    ALA  11           H        ALA  11   0.098  -0.232  -0.054
   90    HA   ALA  11           HA       ALA  11   1.700   2.260  -0.187
   91   1HB   ALA  11          2HB       ALA  11  -0.179   1.945   1.477
   92   2HB   ALA  11          3HB       ALA  11   0.685   0.583   2.229
   93   3HB   ALA  11          1HB       ALA  11   1.348   2.232   2.334
   94    H    ARG  12           H        ARG  12   2.241  -1.086   0.653
   95    HA   ARG  12           HA       ARG  12   4.933  -0.700   1.688
   96   1HB   ARG  12          1HB       ARG  12   3.472  -2.753   2.060
   97   2HB   ARG  12          2HB       ARG  12   3.622  -3.173   0.365
   98   1HG   ARG  12          1HG       ARG  12   5.314  -4.561   1.340
   99   2HG   ARG  12          2HG       ARG  12   6.297  -3.160   0.919
  100   1HD   ARG  12          2HD       ARG  12   6.090  -2.270   3.262
  101   2HD   ARG  12          1HD       ARG  12   4.973  -3.593   3.684
  102    HE   ARG  12           HE       ARG  12   7.497  -4.627   2.565
  103   1HH1  ARG  12          2HH2      ARG  12   6.019  -3.524   5.504
  104   2HH1  ARG  12          1HH2      ARG  12   7.251  -4.415   6.551
  105   1HH2  ARG  12          1HH1      ARG  12   8.857  -5.473   3.760
  106   2HH2  ARG  12          2HH1      ARG  12   8.814  -5.450   5.610
  107    H    LEU  13           H        LEU  13   3.603  -1.137  -1.498
  108    HA   LEU  13           HA       LEU  13   6.140  -1.677  -2.835
  109   1HB   LEU  13          1HB       LEU  13   3.549  -1.839  -3.657
  110   2HB   LEU  13          2HB       LEU  13   3.846  -0.212  -4.236
  111    HG   LEU  13           HG       LEU  13   5.011  -2.846  -5.211
  112   1HD1  LEU  13          3HD2      LEU  13   2.999  -1.704  -6.347
  113   2HD1  LEU  13          1HD2      LEU  13   4.057  -0.362  -6.795
  114   3HD1  LEU  13          2HD2      LEU  13   4.374  -1.997  -7.440
  115   1HD2  LEU  13          2HD1      LEU  13   7.011  -1.364  -4.683
  116   2HD2  LEU  13          3HD1      LEU  13   6.846  -1.677  -6.428
  117   3HD2  LEU  13          1HD1      LEU  13   6.346  -0.110  -5.747
  118    H    GLU  14           H        GLU  14   4.391   1.274  -2.125
  119    HA   GLU  14           HA       GLU  14   6.197   3.012  -3.671
  120   1HB   GLU  14          1HB       GLU  14   3.778   3.509  -2.918
  121   2HB   GLU  14          2HB       GLU  14   4.343   3.632  -1.271
  122   1HG   GLU  14          1HG       GLU  14   3.960   5.891  -2.405
  123   2HG   GLU  14          2HG       GLU  14   5.554   5.731  -1.712
  124    HE1  GLU  14           HE2      GLU  14   7.097   5.691  -4.891
  125    H    ALA  15           H        ALA  15   5.973   1.963  -0.333
  126    HA   ALA  15           HA       ALA  15   8.248   3.583   0.606
  127   1HB   ALA  15          2HB       ALA  15   6.468   2.665   2.153
  128   2HB   ALA  15          3HB       ALA  15   6.964   0.999   1.772
  129   3HB   ALA  15          1HB       ALA  15   8.068   2.083   2.652
  130    H    LEU  16           H        LEU  16   7.948   0.648  -1.150
  131    HA   LEU  16           HA       LEU  16  10.611  -0.406  -0.438
  132   1HB   LEU  16          1HB       LEU  16   8.582  -1.716  -1.474
  133   2HB   LEU  16          2HB       LEU  16   8.998  -0.975  -3.007
  134    HG   LEU  16           HG       LEU  16  10.953  -2.740  -1.419
  135   1HD1  LEU  16          2HD1      LEU  16   8.885  -4.040  -2.006
  136   2HD1  LEU  16          3HD1      LEU  16   9.045  -3.567  -3.715
  137   3HD1  LEU  16          1HD1      LEU  16  10.276  -4.602  -2.952
  138   1HD2  LEU  16          2HD2      LEU  16  10.971  -1.809  -4.377
  139   2HD2  LEU  16          3HD2      LEU  16  12.117  -1.331  -3.100
  140   3HD2  LEU  16          1HD2      LEU  16  12.098  -3.002  -3.674
  141    H    LYS  17           H        LYS  17   9.323   1.556  -3.041
  142    HA   LYS  17           HA       LYS  17  11.862   1.631  -4.512
  143   1HB   LYS  17          1HB       LYS  17   9.275   2.278  -5.185
  144   2HB   LYS  17          2HB       LYS  17   9.818   3.895  -4.758
  145   1HG   LYS  17          2HG       LYS  17  11.622   3.827  -6.463
  146   2HG   LYS  17          1HG       LYS  17  11.376   2.107  -6.758
  147   1HD   LYS  17          1HD       LYS  17   8.881   2.869  -7.412
  148   2HD   LYS  17          2HD       LYS  17   9.700   4.409  -7.736
  149   1HE   LYS  17          1HE       LYS  17  10.293   3.471  -9.781
  150   2HE   LYS  17          2HE       LYS  17  11.546   2.614  -8.869
  151   1HZ   LYS  17          3HZ       LYS  17   9.543   0.994  -8.373
  152   2HZ   LYS  17          1HZ       LYS  17   8.962   1.625  -9.820
  153   3HZ   LYS  17          2HZ       LYS  17  10.463   0.868  -9.775
  154    H    GLU  18           H        GLU  18  10.304   3.674  -2.134
  155    HA   GLU  18           HA       GLU  18  12.296   5.831  -2.241
  156   1HB   GLU  18          1HB       GLU  18  10.267   4.907  -0.104
  157   2HB   GLU  18          2HB       GLU  18  11.300   6.292   0.151
  158   1HG   GLU  18          2HG       GLU  18   9.773   6.484  -2.441
  159   2HG   GLU  18          1HG       GLU  18   8.718   6.287  -1.065
  160    HE1  GLU  18           HE2      GLU  18  10.942   9.517  -0.531
  161    H    ASN  19           H        ASN  19  12.065   2.777  -0.598
  162    HA   ASN  19           HA       ASN  19  13.913   3.318   1.568
  163   1HB   ASN  19          2HB       ASN  19  12.452   1.237   1.457
  164   2HB   ASN  19          1HB       ASN  19  13.335   0.669   0.059
  165   1HD2  ASN  19          1HD2      ASN  19  15.403   0.355   3.555
  166   2HD2  ASN  19          2HD2      ASN  19  14.454   1.908   3.243
  167    H    GLY  20           H        GLY  20  14.449   2.051  -1.678
  168   1HA   GLY  20          1HA       GLY  20  17.437   2.165  -1.282
  169   2HA   GLY  20          2HA       GLY  20  16.599   1.583  -2.736
   
  No H/Q in entry =         169
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1 -18.057   1.181   3.669
    2   2H    TYR   1          2H        TYR   1 -19.120  -0.119   3.575
    3   3H    TYR   1          3H        TYR   1 -18.193   0.112   4.960
    4    HA   TYR   1           HA       TYR   1 -17.074  -1.569   3.938
    5   1HB   TYR   1          2HB       TYR   1 -16.976  -1.919   1.596
    6   2HB   TYR   1          1HB       TYR   1 -18.515  -1.115   1.722
    7    HD1  TYR   1           HD1      TYR   1 -17.853   1.758   1.836
    8    HD2  TYR   1           HD2      TYR   1 -15.914  -1.355  -0.408
    9    HE1  TYR   1           HE1      TYR   1 -17.030   3.426   0.231
   10    HE2  TYR   1           HE2      TYR   1 -15.097   0.330  -2.017
   11    HH   TYR   1           HH       TYR   1 -14.581   2.801  -1.948
   12    H    SER   2           H        SER   2 -14.918  -1.714   3.242
   13    HA   SER   2           HA       SER   2 -13.455   0.924   3.586
   14   1HB   SER   2          1HB       SER   2 -13.208  -0.036   5.754
   15   2HB   SER   2          2HB       SER   2 -13.081  -1.684   5.163
   16    HG   SER   2           HG       SER   2 -11.012  -1.370   5.267
   17    H    ASP   3           H        ASP   3 -12.524   1.357   1.825
   18    HA   ASP   3           HA       ASP   3 -11.158  -0.855   0.344
   19   1HB   ASP   3          1HB       ASP   3 -12.641   1.285  -0.656
   20   2HB   ASP   3          2HB       ASP   3 -11.060   2.033  -0.658
   21    H    GLU   4           H        GLU   4 -10.207  -0.168   2.826
   22    HA   GLU   4           HA       GLU   4  -7.694   1.389   2.317
   23   1HB   GLU   4          2HB       GLU   4  -9.134   1.672   4.418
   24   2HB   GLU   4          1HB       GLU   4  -8.775   0.022   4.877
   25   1HG   GLU   4          1HG       GLU   4  -6.803   0.609   5.888
   26   2HG   GLU   4          2HG       GLU   4  -6.210   1.430   4.467
   27    HE1  GLU   4           HE2      GLU   4  -7.188   4.580   5.617
   28    H    LEU   5           H        LEU   5  -8.776  -1.879   2.700
   29    HA   LEU   5           HA       LEU   5  -6.260  -3.065   3.475
   30   1HB   LEU   5          1HB       LEU   5  -8.805  -4.051   3.113
   31   2HB   LEU   5          2HB       LEU   5  -8.118  -4.579   1.589
   32    HG   LEU   5           HG       LEU   5  -6.209  -5.664   3.124
   33   1HD1  LEU   5          2HD1      LEU   5  -6.995  -4.609   5.265
   34   2HD1  LEU   5          3HD1      LEU   5  -8.564  -5.441   5.125
   35   3HD1  LEU   5          1HD1      LEU   5  -7.070  -6.378   5.365
   36   1HD2  LEU   5          2HD2      LEU   5  -9.063  -6.857   2.892
   37   2HD2  LEU   5          3HD2      LEU   5  -7.728  -7.045   1.728
   38   3HD2  LEU   5          1HD2      LEU   5  -7.600  -7.782   3.329
   39    H    ARG   6           H        ARG   6  -7.578  -2.332   0.307
   40    HA   ARG   6           HA       ARG   6  -5.395  -3.644  -1.136
   41   1HB   ARG   6          1HB       ARG   6  -7.404  -1.446  -2.004
   42   2HB   ARG   6          2HB       ARG   6  -6.311  -2.247  -3.117
   43   1HG   ARG   6          1HG       ARG   6  -7.656  -4.432  -1.801
   44   2HG   ARG   6          2HG       ARG   6  -8.905  -3.199  -1.948
   45   1HD   ARG   6          1HD       ARG   6  -7.319  -3.448  -4.465
   46   2HD   ARG   6          2HD       ARG   6  -8.025  -5.006  -3.964
   47    HE   ARG   6           HE       ARG   6  -9.810  -2.571  -3.867
   48   1HH1  ARG   6          2HH2      ARG   6  -8.998  -5.518  -5.511
   49   2HH1  ARG   6          1HH2      ARG   6 -10.594  -5.534  -6.438
   50   1HH2  ARG   6          1HH1      ARG   6 -11.511  -2.652  -4.907
   51   2HH2  ARG   6          2HH1      ARG   6 -11.964  -3.978  -6.116
   52    H    GLN   7           H        GLN   7  -5.903  -0.474   0.191
   53    HA   GLN   7           HA       GLN   7  -3.661   0.825  -1.190
   54   1HB   GLN   7          1HB       GLN   7  -5.067   1.425   1.494
   55   2HB   GLN   7          2HB       GLN   7  -3.870   2.491   0.763
   56   1HG   GLN   7          2HG       GLN   7  -5.583   2.430  -1.366
   57   2HG   GLN   7          1HG       GLN   7  -6.749   1.917  -0.171
   58   1HE2  GLN   7          2HE2      GLN   7  -6.959   5.625  -0.509
   59   2HE2  GLN   7          1HE2      GLN   7  -6.922   4.231  -1.724
   60    H    ARG   8           H        ARG   8  -3.998  -1.104   1.685
   61    HA   ARG   8           HA       ARG   8  -1.243  -0.590   2.635
   62   1HB   ARG   8          1HB       ARG   8  -3.535  -2.488   3.365
   63   2HB   ARG   8          2HB       ARG   8  -1.926  -2.939   3.895
   64   1HG   ARG   8          2HG       ARG   8  -1.708  -0.824   5.217
   65   2HG   ARG   8          1HG       ARG   8  -3.181  -0.158   4.520
   66   1HD   ARG   8          2HD       ARG   8  -4.506  -2.104   5.552
   67   2HD   ARG   8          1HD       ARG   8  -3.012  -2.605   6.385
   68    HE   ARG   8           HE       ARG   8  -4.624  -0.126   6.901
   69   1HH1  ARG   8          2HH2      ARG   8  -1.629  -1.762   7.537
   70   2HH1  ARG   8          1HH2      ARG   8  -1.282  -0.715   9.017
   71   1HH2  ARG   8          1HH1      ARG   8  -4.284   0.810   8.637
   72   2HH2  ARG   8          2HH1      ARG   8  -2.717   0.695   9.613
   73    H    LEU   9           H        LEU   9  -2.788  -2.767   0.433
   74    HA   LEU   9           HA       LEU   9  -0.565  -4.691   0.259
   75   1HB   LEU   9          2HB       LEU   9  -2.526  -5.600  -0.682
   76   2HB   LEU   9          1HB       LEU   9  -3.085  -4.054  -1.297
   77    HG   LEU   9           HG       LEU   9  -1.593  -4.176  -3.244
   78   1HD1  LEU   9          3HD2      LEU   9   0.323  -5.473  -2.107
   79   2HD1  LEU   9          1HD2      LEU   9  -0.633  -6.951  -2.261
   80   3HD1  LEU   9          2HD2      LEU   9  -0.099  -6.082  -3.727
   81   1HD2  LEU   9          2HD1      LEU   9  -3.866  -5.320  -3.296
   82   2HD2  LEU   9          3HD1      LEU   9  -2.702  -6.083  -4.407
   83   3HD2  LEU   9          1HD1      LEU   9  -3.092  -6.851  -2.849
   84    H    ALA  10           H        ALA  10  -1.430  -1.736  -1.404
   85    HA   ALA  10           HA       ALA  10   1.187  -1.944  -2.926
   86   1HB   ALA  10          2HB       ALA  10  -0.901  -1.821  -4.354
   87   2HB   ALA  10          3HB       ALA  10  -1.380  -0.301  -3.562
   88   3HB   ALA  10          1HB       ALA  10   0.077  -0.358  -4.582
   89    H    ALA  11           H        ALA  11   0.595  -0.968  -0.137
   90    HA   ALA  11           HA       ALA  11   1.771   1.799  -0.461
   91   1HB   ALA  11          2HB       ALA  11  -0.179   1.514   1.122
   92   2HB   ALA  11          3HB       ALA  11   0.722   0.292   2.051
   93   3HB   ALA  11          1HB       ALA  11   1.271   1.985   2.029
   94    H    ARG  12           H        ARG  12   2.486  -1.415   0.669
   95    HA   ARG  12           HA       ARG  12   5.127  -0.788   1.726
   96   1HB   ARG  12          1HB       ARG  12   3.782  -2.905   2.197
   97   2HB   ARG  12          2HB       ARG  12   4.010  -3.420   0.537
   98   1HG   ARG  12          2HG       ARG  12   5.722  -4.631   1.735
   99   2HG   ARG  12          1HG       ARG  12   6.655  -3.272   1.115
  100   1HD   ARG  12          1HD       ARG  12   6.808  -2.190   3.211
  101   2HD   ARG  12          2HD       ARG  12   5.328  -2.952   3.848
  102    HE   ARG  12           HE       ARG  12   8.055  -4.100   3.841
  103   1HH1  ARG  12          2HH2      ARG  12   4.700  -4.991   3.851
  104   2HH1  ARG  12          1HH2      ARG  12   5.050  -6.612   4.662
  105   1HH2  ARG  12          1HH1      ARG  12   8.354  -5.863   4.734
  106   2HH2  ARG  12          2HH1      ARG  12   7.035  -7.097   5.133
  107    H    LEU  13           H        LEU  13   3.889  -1.324  -1.465
  108    HA   LEU  13           HA       LEU  13   6.500  -1.875  -2.720
  109   1HB   LEU  13          2HB       LEU  13   4.006  -2.316  -3.580
  110   2HB   LEU  13          1HB       LEU  13   4.035  -0.651  -4.109
  111    HG   LEU  13           HG       LEU  13   5.364  -1.068  -5.950
  112   1HD1  LEU  13          2HD1      LEU  13   7.396  -1.697  -4.611
  113   2HD1  LEU  13          3HD1      LEU  13   6.795  -3.365  -4.442
  114   3HD1  LEU  13          1HD1      LEU  13   7.234  -2.727  -6.045
  115   1HD2  LEU  13          2HD2      LEU  13   4.335  -3.936  -5.371
  116   2HD2  LEU  13          3HD2      LEU  13   3.485  -2.658  -6.275
  117   3HD2  LEU  13          1HD2      LEU  13   4.958  -3.368  -6.945
  118    H    GLU  14           H        GLU  14   4.488   0.954  -2.241
  119    HA   GLU  14           HA       GLU  14   6.219   2.789  -3.753
  120   1HB   GLU  14          2HB       GLU  14   3.741   3.102  -3.091
  121   2HB   GLU  14          1HB       GLU  14   4.242   3.328  -1.435
  122   1HG   GLU  14          1HG       GLU  14   5.750   5.358  -2.490
  123   2HG   GLU  14          2HG       GLU  14   4.602   5.265  -3.802
  124    HE1  GLU  14           HE2      GLU  14   3.581   6.913  -0.340
  125    H    ALA  15           H        ALA  15   5.986   1.762  -0.417
  126    HA   ALA  15           HA       ALA  15   8.048   3.617   0.583
  127   1HB   ALA  15          2HB       ALA  15   6.306   2.545   2.074
  128   2HB   ALA  15          3HB       ALA  15   6.981   0.932   1.741
  129   3HB   ALA  15          1HB       ALA  15   7.935   2.133   2.645
  130    H    LEU  16           H        LEU  16   8.120   0.665  -1.157
  131    HA   LEU  16           HA       LEU  16  10.857  -0.092  -0.346
  132   1HB   LEU  16          1HB       LEU  16   9.051  -1.651  -1.393
  133   2HB   LEU  16          2HB       LEU  16   9.335  -0.852  -2.926
  134    HG   LEU  16           HG       LEU  16  11.698  -2.158  -1.506
  135   1HD1  LEU  16          2HD1      LEU  16   9.852  -3.859  -1.408
  136   2HD1  LEU  16          3HD1      LEU  16   9.578  -3.695  -3.160
  137   3HD1  LEU  16          1HD1      LEU  16  11.114  -4.357  -2.550
  138   1HD2  LEU  16          2HD2      LEU  16  10.952  -1.807  -4.496
  139   2HD2  LEU  16          3HD2      LEU  16  12.209  -0.920  -3.597
  140   3HD2  LEU  16          1HD2      LEU  16  12.407  -2.650  -3.896
  141    H    LYS  17           H        LYS  17   9.445   1.641  -3.051
  142    HA   LYS  17           HA       LYS  17  12.019   1.958  -4.418
  143   1HB   LYS  17          1HB       LYS  17   9.375   2.262  -5.195
  144   2HB   LYS  17          2HB       LYS  17   9.766   3.953  -4.917
  145   1HG   LYS  17          1HG       LYS  17  11.437   3.995  -6.665
  146   2HG   LYS  17          2HG       LYS  17  11.700   2.254  -6.598
  147   1HD   LYS  17          1HD       LYS  17   9.109   2.247  -7.466
  148   2HD   LYS  17          2HD       LYS  17   9.531   3.892  -7.982
  149   1HE   LYS  17          1HE       LYS  17  11.649   1.810  -8.598
  150   2HE   LYS  17          2HE       LYS  17  10.134   1.592  -9.488
  151   1HZ   LYS  17          3HZ       LYS  17  11.237   4.310  -9.297
  152   2HZ   LYS  17          1HZ       LYS  17  11.963   3.214 -10.346
  153   3HZ   LYS  17          2HZ       LYS  17  10.335   3.597 -10.523
  154    H    GLU  18           H        GLU  18  10.147   3.883  -2.186
  155    HA   GLU  18           HA       GLU  18  11.915   6.233  -2.309
  156   1HB   GLU  18          1HB       GLU  18   9.846   5.213  -0.256
  157   2HB   GLU  18          2HB       GLU  18  10.732   6.697   0.002
  158   1HG   GLU  18          1HG       GLU  18   9.366   6.629  -2.684
  159   2HG   GLU  18          2HG       GLU  18   8.241   6.424  -1.366
  160    HE2  GLU  18           HE2      GLU  18   8.269   9.703  -0.480
  161    H    ASN  19           H        ASN  19  11.864   3.257  -0.508
  162    HA   ASN  19           HA       ASN  19  14.416   4.143   0.874
  163   1HB   ASN  19          2HB       ASN  19  12.009   3.991   2.268
  164   2HB   ASN  19          1HB       ASN  19  12.483   2.312   2.376
  165   1HD2  ASN  19          1HD2      ASN  19  15.184   4.702   4.241
  166   2HD2  ASN  19          2HD2      ASN  19  14.672   5.134   2.520
  167    H    GLY  20           H        GLY  20  14.719   2.900  -1.307
  168   1HA   GLY  20          1HA       GLY  20  14.976  -0.069  -0.681
  169   2HA   GLY  20          2HA       GLY  20  15.018   0.638  -2.309
   
  No H/Q in entry =         169
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1 -17.777   0.952   3.806
    2   2H    TYR   1          2H        TYR   1 -18.950  -0.167   3.357
    3   3H    TYR   1          3H        TYR   1 -17.981  -0.457   4.701
    4    HA   TYR   1           HA       TYR   1 -17.042  -1.813   3.144
    5   1HB   TYR   1          1HB       TYR   1 -18.421  -0.782   1.213
    6   2HB   TYR   1          2HB       TYR   1 -17.321   0.567   1.161
    7    HD1  TYR   1           HD2      TYR   1 -17.446  -3.150   0.603
    8    HD2  TYR   1           HD1      TYR   1 -15.316   0.520  -0.089
    9    HE1  TYR   1           HE2      TYR   1 -15.991  -4.290  -1.034
   10    HE2  TYR   1           HE1      TYR   1 -13.872  -0.626  -1.712
   11    HH   TYR   1           HH       TYR   1 -14.595  -3.678  -2.973
   12    H    SER   2           H        SER   2 -15.002  -2.117   3.259
   13    HA   SER   2           HA       SER   2 -13.313   0.310   3.952
   14   1HB   SER   2          1HB       SER   2 -13.830  -1.570   5.763
   15   2HB   SER   2          2HB       SER   2 -12.655  -2.550   4.901
   16    HG   SER   2           HG       SER   2 -11.099  -0.916   5.274
   17    H    ASP   3           H        ASP   3 -12.687   0.768   1.947
   18    HA   ASP   3           HA       ASP   3 -10.920  -1.271   0.651
   19   1HB   ASP   3          1HB       ASP   3 -11.154  -0.013  -1.408
   20   2HB   ASP   3          2HB       ASP   3 -12.715   0.177  -0.642
   21    H    GLU   4           H        GLU   4 -10.102  -0.279   3.062
   22    HA   GLU   4           HA       GLU   4  -7.798   1.517   2.315
   23   1HB   GLU   4          1HB       GLU   4  -8.811   0.503   5.062
   24   2HB   GLU   4          2HB       GLU   4  -7.401   1.512   4.862
   25   1HG   GLU   4          1HG       GLU   4  -8.956   3.181   5.382
   26   2HG   GLU   4          2HG       GLU   4  -9.124   3.228   3.646
   27    HE2  GLU   4           HE2      GLU   4 -12.445   2.822   3.836
   28    H    LEU   5           H        LEU   5  -8.547  -1.748   3.186
   29    HA   LEU   5           HA       LEU   5  -5.887  -2.672   3.797
   30   1HB   LEU   5          1HB       LEU   5  -8.447  -3.868   3.340
   31   2HB   LEU   5          2HB       LEU   5  -7.443  -4.558   2.080
   32    HG   LEU   5           HG       LEU   5  -6.816  -4.684   5.091
   33   1HD1  LEU   5          2HD1      LEU   5  -8.860  -6.005   4.469
   34   2HD1  LEU   5          3HD1      LEU   5  -7.948  -6.862   3.202
   35   3HD1  LEU   5          1HD1      LEU   5  -7.524  -7.080   4.917
   36   1HD2  LEU   5          2HD2      LEU   5  -5.421  -6.086   2.701
   37   2HD2  LEU   5          3HD2      LEU   5  -4.712  -4.862   3.784
   38   3HD2  LEU   5          1HD2      LEU   5  -5.122  -6.458   4.422
   39    H    ARG   6           H        ARG   6  -7.450  -2.078   0.717
   40    HA   ARG   6           HA       ARG   6  -5.198  -3.114  -0.852
   41   1HB   ARG   6          1HB       ARG   6  -7.443  -1.126  -1.651
   42   2HB   ARG   6          2HB       ARG   6  -6.390  -1.956  -2.782
   43   1HG   ARG   6          1HG       ARG   6  -7.512  -4.116  -1.270
   44   2HG   ARG   6          2HG       ARG   6  -8.832  -2.952  -1.326
   45   1HD   ARG   6          2HD       ARG   6  -7.271  -3.761  -3.864
   46   2HD   ARG   6          1HD       ARG   6  -8.659  -4.705  -3.263
   47    HE   ARG   6           HE       ARG   6  -9.729  -2.163  -3.235
   48   1HH1  ARG   6          2HH2      ARG   6  -7.941  -3.777  -5.734
   49   2HH1  ARG   6          1HH2      ARG   6  -8.785  -2.820  -7.067
   50   1HH2  ARG   6          1HH1      ARG   6 -10.595  -1.163  -4.729
   51   2HH2  ARG   6          2HH1      ARG   6 -10.228  -1.396  -6.527
   52    H    GLN   7           H        GLN   7  -5.882  -0.121   0.711
   53    HA   GLN   7           HA       GLN   7  -3.889   1.472  -0.751
   54   1HB   GLN   7          1HB       GLN   7  -5.035   1.727   2.107
   55   2HB   GLN   7          2HB       GLN   7  -4.012   2.945   1.349
   56   1HG   GLN   7          2HG       GLN   7  -5.978   2.861  -0.582
   57   2HG   GLN   7          1HG       GLN   7  -6.939   2.242   0.739
   58   1HE2  GLN   7          2HE2      GLN   7  -5.806   6.051   1.546
   59   2HE2  GLN   7          1HE2      GLN   7  -4.520   4.784   1.147
   60    H    ARG   8           H        ARG   8  -3.840  -0.575   2.092
   61    HA   ARG   8           HA       ARG   8  -0.982  -0.094   2.664
   62   1HB   ARG   8          1HB       ARG   8  -2.732  -2.524   3.467
   63   2HB   ARG   8          2HB       ARG   8  -1.227  -2.041   4.225
   64   1HG   ARG   8          1HG       ARG   8  -2.271  -0.093   5.297
   65   2HG   ARG   8          2HG       ARG   8  -3.626  -0.091   4.173
   66   1HD   ARG   8          1HD       ARG   8  -4.769  -1.786   5.336
   67   2HD   ARG   8          2HD       ARG   8  -3.271  -2.609   5.845
   68    HE   ARG   8           HE       ARG   8  -3.031  -1.084   7.688
   69   1HH1  ARG   8          2HH2      ARG   8  -5.681  -0.059   5.694
   70   2HH1  ARG   8          1HH2      ARG   8  -6.371   1.018   7.026
   71   1HH2  ARG   8          1HH1      ARG   8  -3.858   0.074   9.093
   72   2HH2  ARG   8          2HH1      ARG   8  -5.308   1.192   8.828
   73    H    LEU   9           H        LEU   9  -2.795  -2.169   0.575
   74    HA   LEU   9           HA       LEU   9  -0.638  -4.097   0.044
   75   1HB   LEU   9          1HB       LEU   9  -3.306  -3.350  -1.201
   76   2HB   LEU   9          2HB       LEU   9  -2.149  -4.070  -2.303
   77    HG   LEU   9           HG       LEU   9  -2.568  -5.571   0.285
   78   1HD1  LEU   9          3HD2      LEU   9  -4.936  -4.810  -0.395
   79   2HD1  LEU   9          1HD2      LEU   9  -4.733  -5.667  -1.927
   80   3HD1  LEU   9          2HD2      LEU   9  -4.719  -6.577  -0.391
   81   1HD2  LEU   9          2HD1      LEU   9  -1.048  -6.370  -1.592
   82   2HD2  LEU   9          3HD1      LEU   9  -2.350  -7.533  -1.236
   83   3HD2  LEU   9          1HD1      LEU   9  -2.454  -6.479  -2.667
   84    H    ALA  10           H        ALA  10  -1.630  -1.047  -1.341
   85    HA   ALA  10           HA       ALA  10   0.812  -1.173  -3.136
   86   1HB   ALA  10          2HB       ALA  10  -1.406  -0.851  -4.315
   87   2HB   ALA  10          3HB       ALA  10  -1.742   0.596  -3.334
   88   3HB   ALA  10          1HB       ALA  10  -0.402   0.600  -4.505
   89    H    ALA  11           H        ALA  11   0.532  -0.454  -0.215
   90    HA   ALA  11           HA       ALA  11   1.912   2.238  -0.459
   91   1HB   ALA  11          2HB       ALA  11  -0.063   2.138   1.115
   92   2HB   ALA  11          3HB       ALA  11   0.691   0.801   2.015
   93   3HB   ALA  11          1HB       ALA  11   1.428   2.422   2.034
   94    H    ARG  12           H        ARG  12   2.268  -1.068   0.562
   95    HA   ARG  12           HA       ARG  12   4.958  -0.758   1.643
   96   1HB   ARG  12          1HB       ARG  12   3.393  -2.733   2.054
   97   2HB   ARG  12          2HB       ARG  12   3.565  -3.218   0.378
   98   1HG   ARG  12          2HG       ARG  12   5.118  -4.645   1.564
   99   2HG   ARG  12          1HG       ARG  12   6.200  -3.410   0.928
  100   1HD   ARG  12          2HD       ARG  12   6.395  -2.273   3.053
  101   2HD   ARG  12          1HD       ARG  12   4.970  -3.106   3.727
  102    HE   ARG  12           HE       ARG  12   6.294  -5.014   4.166
  103   1HH1  ARG  12          2HH2      ARG  12   8.089  -2.945   2.035
  104   2HH1  ARG  12          1HH2      ARG  12   9.614  -3.974   2.191
  105   1HH2  ARG  12          1HH1      ARG  12   7.926  -6.177   4.134
  106   2HH2  ARG  12          2HH1      ARG  12   9.551  -5.695   3.394
  107    H    LEU  13           H        LEU  13   3.663  -1.313  -1.549
  108    HA   LEU  13           HA       LEU  13   6.223  -1.888  -2.832
  109   1HB   LEU  13          1HB       LEU  13   3.666  -2.093  -3.706
  110   2HB   LEU  13          2HB       LEU  13   3.927  -0.456  -4.275
  111    HG   LEU  13           HG       LEU  13   4.456  -2.816  -5.680
  112   1HD1  LEU  13          2HD1      LEU  13   3.978  -0.544  -6.640
  113   2HD1  LEU  13          3HD1      LEU  13   5.614   0.009  -6.206
  114   3HD1  LEU  13          1HD1      LEU  13   5.393  -1.276  -7.419
  115   1HD2  LEU  13          2HD2      LEU  13   7.183  -1.645  -4.778
  116   2HD2  LEU  13          3HD2      LEU  13   6.577  -3.294  -4.481
  117   3HD2  LEU  13          1HD2      LEU  13   6.959  -2.789  -6.130
  118    H    GLU  14           H        GLU  14   4.502   1.066  -2.117
  119    HA   GLU  14           HA       GLU  14   6.262   2.758  -3.771
  120   1HB   GLU  14          1HB       GLU  14   3.832   3.240  -3.033
  121   2HB   GLU  14          2HB       GLU  14   4.405   3.471  -1.400
  122   1HG   GLU  14          1HG       GLU  14   5.779   5.234  -3.464
  123   2HG   GLU  14          2HG       GLU  14   4.062   5.515  -3.325
  124    HE1  GLU  14           HE2      GLU  14   6.362   6.399  -0.162
  125    H    ALA  15           H        ALA  15   6.063   1.886  -0.379
  126    HA   ALA  15           HA       ALA  15   8.344   3.583   0.416
  127   1HB   ALA  15          2HB       ALA  15   6.544   2.832   2.033
  128   2HB   ALA  15          3HB       ALA  15   7.028   1.133   1.817
  129   3HB   ALA  15          1HB       ALA  15   8.135   2.289   2.598
  130    H    LEU  16           H        LEU  16   8.026   0.476  -1.023
  131    HA   LEU  16           HA       LEU  16  10.731  -0.432  -0.279
  132   1HB   LEU  16          2HB       LEU  16   8.758  -1.938  -1.006
  133   2HB   LEU  16          1HB       LEU  16   8.956  -1.344  -2.643
  134    HG   LEU  16           HG       LEU  16  11.372  -2.627  -1.315
  135   1HD1  LEU  16          3HD2      LEU  16   9.370  -4.184  -0.851
  136   2HD1  LEU  16          1HD2      LEU  16   9.115  -4.318  -2.594
  137   3HD1  LEU  16          2HD2      LEU  16  10.634  -4.917  -1.870
  138   1HD2  LEU  16          2HD1      LEU  16  11.486  -1.581  -3.632
  139   2HD2  LEU  16          3HD1      LEU  16  11.857  -3.323  -3.659
  140   3HD2  LEU  16          1HD1      LEU  16  10.265  -2.736  -4.199
  141    H    LYS  17           H        LYS  17   9.332   1.238  -3.018
  142    HA   LYS  17           HA       LYS  17  11.804   1.107  -4.602
  143   1HB   LYS  17          1HB       LYS  17   9.217   1.626  -5.285
  144   2HB   LYS  17          2HB       LYS  17   9.688   3.296  -5.005
  145   1HG   LYS  17          1HG       LYS  17  11.543   1.615  -6.773
  146   2HG   LYS  17          2HG       LYS  17   9.966   2.035  -7.438
  147   1HD   LYS  17          1HD       LYS  17  10.516   4.477  -7.081
  148   2HD   LYS  17          2HD       LYS  17  12.057   4.024  -6.326
  149   1HE   LYS  17          1HE       LYS  17  12.928   3.024  -8.388
  150   2HE   LYS  17          2HE       LYS  17  11.337   3.012  -9.165
  151   1HZ   LYS  17          2HZ       LYS  17  11.507   5.587  -8.639
  152   2HZ   LYS  17          3HZ       LYS  17  13.153   5.257  -8.728
  153   3HZ   LYS  17          1HZ       LYS  17  12.154   4.907 -10.035
  154    H    GLU  18           H        GLU  18  10.298   3.494  -2.515
  155    HA   GLU  18           HA       GLU  18  12.382   5.534  -2.913
  156   1HB   GLU  18          1HB       GLU  18  10.363   5.082  -0.614
  157   2HB   GLU  18          2HB       GLU  18  11.352   6.513  -0.769
  158   1HG   GLU  18          2HG       GLU  18   9.542   5.818  -3.148
  159   2HG   GLU  18          1HG       GLU  18   8.759   6.358  -1.684
  160    HE1  GLU  18           HE2      GLU  18  11.233   9.153  -3.043
  161    H    ASN  19           H        ASN  19  11.958   2.796  -0.810
  162    HA   ASN  19           HA       ASN  19  14.451   3.635   0.713
  163   1HB   ASN  19          2HB       ASN  19  12.090   3.119   1.911
  164   2HB   ASN  19          1HB       ASN  19  12.461   1.441   1.590
  165   1HD2  ASN  19          1HD2      ASN  19  13.736   1.870   4.945
  166   2HD2  ASN  19          2HD2      ASN  19  12.121   1.730   4.060
  167    H    GLY  20           H        GLY  20  14.459   2.494  -1.883
  168   1HA   GLY  20          1HA       GLY  20  16.285   1.150  -2.791
  169   2HA   GLY  20          2HA       GLY  20  16.471   0.346  -1.219
   
  No H/Q in entry =         169
  Start of MODEL    5
    1   1H    TYR   1          2H        TYR   1 -17.620  -1.082   5.189
    2   2H    TYR   1          3H        TYR   1 -18.384   0.199   4.414
    3   3H    TYR   1          1H        TYR   1 -18.975  -1.365   4.236
    4    HA   TYR   1           HA       TYR   1 -17.229  -2.060   2.918
    5   1HB   TYR   1          1HB       TYR   1 -18.898  -0.339   1.857
    6   2HB   TYR   1          2HB       TYR   1 -17.731   0.913   2.171
    7    HD1  TYR   1           HD2      TYR   1 -16.113  -2.219   1.181
    8    HD2  TYR   1           HD1      TYR   1 -18.025   1.331  -0.311
    9    HE1  TYR   1           HE2      TYR   1 -15.116  -2.603  -1.045
   10    HE2  TYR   1           HE1      TYR   1 -17.032   0.934  -2.522
   11    HH   TYR   1           HH       TYR   1 -16.112  -1.482  -3.722
   12    H    SER   2           H        SER   2 -15.188  -2.174   2.524
   13    HA   SER   2           HA       SER   2 -13.395   0.061   3.479
   14   1HB   SER   2          1HB       SER   2 -11.883  -1.548   4.658
   15   2HB   SER   2          2HB       SER   2 -13.467  -1.508   5.414
   16    HG   SER   2           HG       SER   2 -13.720  -3.542   4.923
   17    H    ASP   3           H        ASP   3 -12.092   0.644   2.043
   18    HA   ASP   3           HA       ASP   3 -10.887  -1.474   0.295
   19   1HB   ASP   3          1HB       ASP   3 -12.031  -0.610  -1.545
   20   2HB   ASP   3          2HB       ASP   3 -12.671   0.697  -0.574
   21    H    GLU   4           H        GLU   4 -10.020  -0.414   2.676
   22    HA   GLU   4           HA       GLU   4  -7.883   1.581   1.937
   23   1HB   GLU   4          1HB       GLU   4  -8.785   0.516   4.698
   24   2HB   GLU   4          2HB       GLU   4  -7.623   1.797   4.451
   25   1HG   GLU   4          1HG       GLU   4  -9.273   3.418   4.197
   26   2HG   GLU   4          2HG       GLU   4 -10.235   2.440   3.118
   27    HE1  GLU   4           HE2      GLU   4 -11.033   1.554   6.911
   28    H    LEU   5           H        LEU   5  -8.345  -1.734   2.676
   29    HA   LEU   5           HA       LEU   5  -5.561  -2.271   3.460
   30   1HB   LEU   5          2HB       LEU   5  -7.939  -3.738   3.482
   31   2HB   LEU   5          1HB       LEU   5  -7.165  -4.443   2.076
   32    HG   LEU   5           HG       LEU   5  -5.666  -4.281   4.741
   33   1HD1  LEU   5          2HD1      LEU   5  -7.891  -5.349   5.211
   34   2HD1  LEU   5          3HD1      LEU   5  -7.635  -6.516   3.890
   35   3HD1  LEU   5          1HD1      LEU   5  -6.580  -6.539   5.324
   36   1HD2  LEU   5          2HD2      LEU   5  -5.463  -6.221   2.330
   37   2HD2  LEU   5          3HD2      LEU   5  -4.282  -4.974   2.799
   38   3HD2  LEU   5          1HD2      LEU   5  -4.534  -6.374   3.846
   39    H    ARG   6           H        ARG   6  -7.265  -2.173   0.402
   40    HA   ARG   6           HA       ARG   6  -4.981  -3.186  -1.131
   41   1HB   ARG   6          1HB       ARG   6  -7.275  -1.357  -2.131
   42   2HB   ARG   6          2HB       ARG   6  -6.272  -2.400  -3.122
   43   1HG   ARG   6          1HG       ARG   6  -7.401  -4.248  -1.261
   44   2HG   ARG   6          2HG       ARG   6  -8.691  -3.064  -1.442
   45   1HD   ARG   6          1HD       ARG   6  -7.276  -4.268  -3.903
   46   2HD   ARG   6          2HD       ARG   6  -8.620  -5.113  -3.092
   47    HE   ARG   6           HE       ARG   6  -9.252  -2.269  -3.594
   48   1HH1  ARG   6          2HH2      ARG   6  -9.215  -5.381  -5.131
   49   2HH1  ARG   6          1HH2      ARG   6 -10.491  -4.875  -6.366
   50   1HH2  ARG   6          1HH1      ARG   6 -10.629  -1.795  -4.959
   51   2HH2  ARG   6          2HH1      ARG   6 -11.263  -2.927  -6.277
   52    H    GLN   7           H        GLN   7  -6.015  -0.047  -0.031
   53    HA   GLN   7           HA       GLN   7  -3.957   1.451  -1.511
   54   1HB   GLN   7          1HB       GLN   7  -5.462   2.054   1.120
   55   2HB   GLN   7          2HB       GLN   7  -4.391   3.209   0.331
   56   1HG   GLN   7          2HG       GLN   7  -6.100   2.725  -1.801
   57   2HG   GLN   7          1HG       GLN   7  -7.195   2.295  -0.510
   58   1HE2  GLN   7          2HE2      GLN   7  -8.226   5.638  -0.492
   59   2HE2  GLN   7          1HE2      GLN   7  -8.627   3.869  -0.850
   60    H    ARG   8           H        ARG   8  -4.093  -0.272   1.508
   61    HA   ARG   8           HA       ARG   8  -1.386   0.515   2.388
   62   1HB   ARG   8          2HB       ARG   8  -3.515  -1.527   3.185
   63   2HB   ARG   8          1HB       ARG   8  -1.877  -1.896   3.688
   64   1HG   ARG   8          2HG       ARG   8  -1.683   0.151   5.037
   65   2HG   ARG   8          1HG       ARG   8  -3.143   0.852   4.347
   66   1HD   ARG   8          1HD       ARG   8  -4.602  -0.740   5.465
   67   2HD   ARG   8          2HD       ARG   8  -3.237  -1.796   5.912
   68    HE   ARG   8           HE       ARG   8  -3.995   0.809   7.185
   69   1HH1  ARG   8          2HH2      ARG   8  -1.569  -1.662   6.956
   70   2HH1  ARG   8          1HH2      ARG   8  -0.780  -1.145   8.543
   71   1HH2  ARG   8          1HH1      ARG   8  -3.065   1.334   8.873
   72   2HH2  ARG   8          2HH1      ARG   8  -1.516   0.560   9.523
   73    H    LEU   9           H        LEU   9  -2.733  -1.790   0.209
   74    HA   LEU   9           HA       LEU   9  -0.447  -3.659   0.259
   75   1HB   LEU   9          1HB       LEU   9  -3.025  -3.319  -1.262
   76   2HB   LEU   9          2HB       LEU   9  -1.739  -3.979  -2.250
   77    HG   LEU   9           HG       LEU   9  -1.987  -5.385   0.374
   78   1HD1  LEU   9          3HD2      LEU   9  -4.446  -4.766  -0.091
   79   2HD1  LEU   9          1HD2      LEU   9  -4.350  -5.670  -1.606
   80   3HD1  LEU   9          2HD2      LEU   9  -4.137  -6.520  -0.050
   81   1HD2  LEU   9          2HD1      LEU   9  -0.618  -6.181  -1.619
   82   2HD2  LEU   9          3HD1      LEU   9  -1.816  -7.390  -1.096
   83   3HD2  LEU   9          1HD1      LEU   9  -2.116  -6.398  -2.543
   84    H    ALA  10           H        ALA  10  -1.460  -0.996  -1.788
   85    HA   ALA  10           HA       ALA  10   1.011  -1.128  -3.415
   86   1HB   ALA  10          2HB       ALA  10  -1.166  -0.196  -4.307
   87   2HB   ALA  10          3HB       ALA  10  -1.131   1.107  -3.096
   88   3HB   ALA  10          1HB       ALA  10   0.100   1.044  -4.380
   89    H    ALA  11           H        ALA  11   0.020   0.423  -0.483
   90    HA   ALA  11           HA       ALA  11   1.860   2.607  -0.421
   91   1HB   ALA  11          2HB       ALA  11   0.009   2.248   1.264
   92   2HB   ALA  11          3HB       ALA  11   0.873   0.852   1.951
   93   3HB   ALA  11          1HB       ALA  11   1.554   2.490   2.102
   94    H    ARG  12           H        ARG  12   2.384  -0.774   0.268
   95    HA   ARG  12           HA       ARG  12   5.011  -0.399   1.483
   96   1HB   ARG  12          2HB       ARG  12   3.468  -2.417   1.775
   97   2HB   ARG  12          1HB       ARG  12   3.769  -2.883   0.114
   98   1HG   ARG  12          2HG       ARG  12   5.301  -4.276   1.329
   99   2HG   ARG  12          1HG       ARG  12   6.372  -2.982   0.804
  100   1HD   ARG  12          1HD       ARG  12   6.424  -1.933   2.983
  101   2HD   ARG  12          2HD       ARG  12   4.959  -2.794   3.522
  102    HE   ARG  12           HE       ARG  12   6.251  -4.707   3.987
  103   1HH1  ARG  12          2HH2      ARG  12   8.218  -2.526   2.138
  104   2HH1  ARG  12          1HH2      ARG  12   9.741  -3.529   2.427
  105   1HH2  ARG  12          1HH1      ARG  12   7.887  -5.873   4.029
  106   2HH2  ARG  12          2HH1      ARG  12   9.566  -5.356   3.450
  107    H    LEU  13           H        LEU  13   3.926  -1.312  -1.742
  108    HA   LEU  13           HA       LEU  13   6.507  -1.560  -2.974
  109   1HB   LEU  13          1HB       LEU  13   3.951  -1.844  -3.899
  110   2HB   LEU  13          2HB       LEU  13   4.216  -0.215  -4.490
  111    HG   LEU  13           HG       LEU  13   5.783  -0.869  -6.106
  112   1HD1  LEU  13          3HD2      LEU  13   7.309  -2.166  -4.483
  113   2HD1  LEU  13          1HD2      LEU  13   6.283  -3.586  -4.709
  114   3HD1  LEU  13          2HD2      LEU  13   7.177  -2.907  -6.097
  115   1HD2  LEU  13          2HD1      LEU  13   3.481  -1.860  -6.541
  116   2HD2  LEU  13          3HD1      LEU  13   4.778  -2.806  -7.311
  117   3HD2  LEU  13          1HD1      LEU  13   4.014  -3.385  -5.811
  118    H    GLU  14           H        GLU  14   4.688   1.278  -2.127
  119    HA   GLU  14           HA       GLU  14   6.251   3.102  -3.837
  120   1HB   GLU  14          2HB       GLU  14   3.857   3.449  -2.928
  121   2HB   GLU  14          1HB       GLU  14   4.524   3.652  -1.327
  122   1HG   GLU  14          1HG       GLU  14   5.914   5.694  -2.380
  123   2HG   GLU  14          2HG       GLU  14   4.801   5.590  -3.720
  124    HE2  GLU  14           HE2      GLU  14   3.863   7.885  -0.885
  125    H    ALA  15           H        ALA  15   6.318   2.109  -0.476
  126    HA   ALA  15           HA       ALA  15   8.590   3.826   0.269
  127   1HB   ALA  15          2HB       ALA  15   6.990   2.838   1.962
  128   2HB   ALA  15          3HB       ALA  15   7.520   1.193   1.537
  129   3HB   ALA  15          1HB       ALA  15   8.650   2.324   2.321
  130    H    LEU  16           H        LEU  16   8.266   0.896  -1.482
  131    HA   LEU  16           HA       LEU  16  10.986  -0.089  -0.963
  132   1HB   LEU  16          2HB       LEU  16   8.944  -1.442  -1.869
  133   2HB   LEU  16          1HB       LEU  16   9.207  -0.673  -3.422
  134    HG   LEU  16           HG       LEU  16  11.563  -1.698  -3.463
  135   1HD1  LEU  16          2HD1      LEU  16  11.793  -2.122  -0.998
  136   2HD1  LEU  16          3HD1      LEU  16  10.480  -3.323  -1.059
  137   3HD1  LEU  16          1HD1      LEU  16  12.009  -3.620  -1.921
  138   1HD2  LEU  16          2HD2      LEU  16   9.144  -3.637  -3.373
  139   2HD2  LEU  16          3HD2      LEU  16   9.751  -2.752  -4.794
  140   3HD2  LEU  16          1HD2      LEU  16  10.740  -4.025  -4.072
  141    H    LYS  17           H        LYS  17   9.587   2.161  -3.199
  142    HA   LYS  17           HA       LYS  17  11.953   2.353  -4.927
  143   1HB   LYS  17          1HB       LYS  17   9.538   4.169  -4.355
  144   2HB   LYS  17          2HB       LYS  17  10.894   4.830  -5.251
  145   1HG   LYS  17          2HG       LYS  17   9.323   3.994  -6.915
  146   2HG   LYS  17          1HG       LYS  17  10.691   2.884  -6.936
  147   1HD   LYS  17          1HD       LYS  17   9.553   1.113  -5.904
  148   2HD   LYS  17          2HD       LYS  17   8.291   2.160  -5.226
  149   1HE   LYS  17          1HE       LYS  17   7.050   1.493  -7.091
  150   2HE   LYS  17          2HE       LYS  17   7.950   2.772  -7.920
  151   1HZ   LYS  17          1HZ       LYS  17   9.648   0.594  -7.900
  152   2HZ   LYS  17          2HZ       LYS  17   8.134  -0.037  -8.269
  153   3HZ   LYS  17          3HZ       LYS  17   8.780   1.201  -9.206
  154    H    GLU  18           H        GLU  18  10.833   4.008  -2.039
  155    HA   GLU  18           HA       GLU  18  13.269   5.734  -2.031
  156   1HB   GLU  18          1HB       GLU  18  12.128   7.031  -0.400
  157   2HB   GLU  18          2HB       GLU  18  10.830   6.438  -1.407
  158   1HG   GLU  18          2HG       GLU  18  10.287   4.650   0.323
  159   2HG   GLU  18          1HG       GLU  18  11.633   5.166   1.303
  160    HE1  GLU  18           HE2      GLU  18   8.509   7.682   1.191
  161    H    ASN  19           H        ASN  19  12.682   2.649  -1.042
  162    HA   ASN  19           HA       ASN  19  14.822   2.850   1.072
  163   1HB   ASN  19          1HB       ASN  19  12.358   2.917   2.078
  164   2HB   ASN  19          2HB       ASN  19  12.218   1.244   1.589
  165   1HD2  ASN  19          1HD2      ASN  19  15.037   1.789   4.491
  166   2HD2  ASN  19          2HD2      ASN  19  15.064   2.902   3.013
  167    H    GLY  20           H        GLY  20  15.193   2.034  -1.429
  168   1HA   GLY  20          1HA       GLY  20  14.867  -0.964  -1.549
  169   2HA   GLY  20          2HA       GLY  20  15.461   0.074  -2.862