*HEADER    DNA-BINDING PROTEIN                     28-AUG-03   1UMQ
*TITLE     SOLUTION STRUCTURE AND DNA BINDING OF THE EFFECTOR DOMAIN
*TITLE    2 FROM THE GLOBAL REGULATOR PRRA(REGA) FROM R. SPHAEROIDES:
*TITLE    3 INSIGHTS INTO DNA BINDING SPECIFICITY
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PHOTOSYNTHETIC APPARATUS REGULATORY PROTEIN;
*COMPND   3 SYNONYM: REGA, REGA PROTEIN, RESPONSE REGULATOR, PRRA;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: DNA BINDING DOMAIN, RESIDUES 22-81;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES;
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR: PLASMID;
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET14B
*KEYWDS    RESPONSE REGULATOR, DNA BINDING DOMAIN, HELIX-TURN-HELIX,
*KEYWDS   2 NMR, SENSORY TRANSDUCTION, PHOSPHORYLATION, TRANSCRIPTION
*KEYWDS   3 REGULATION,   DNA-BINDING, ACTIVATOR
*EXPDTA    NMR, 5 STRUCTURES
*AUTHOR    C.LAGURI,M.K.PHILLIPS-JONES,M.P.WILLIAMSON
*REVDAT   1   29-AUG-03 1UMQ    0




assign ( resid  22 and name   ha ) ( resid  22 and name hd++ )   3.8   2.0   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name   hg )   3.8   2.0   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name  hb+ )   2.8   1.0   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name  hb+ ) ( resid  22 and name   hg )   2.8   1.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  22 and name hd++ )   2.8   1.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hd++ ) ( resid  22 and name   hg )   2.8   1.0   0.0
assign ( resid  22 and name hd++ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hg ) ( resid  22 and name   hn )   3.8   2.0   0.0
assign ( resid  22 and name   ha ) ( resid  23 and name   hn )   3.8   2.0   0.0
assign ( resid  22 and name  hb+ ) ( resid  23 and name   hn )   3.8   2.0   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name  hb+ )   2.8   1.0   0.0
assign ( resid  23 and name   ha ) ( resid  23 and name   hn )   3.8   2.0   0.0
assign ( resid  23 and name  hb+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   ha ) ( resid  24 and name   hn )   3.8   2.0   0.0
assign ( resid  23 and name  hb+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  hb+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name  hb+ )   3.8   2.0   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name  hd+ )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name  hg+ )   3.8   2.0   0.0
assign ( resid  24 and name   ha ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name  hd+ )   2.8   1.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name  hg+ )   2.8   1.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hd+ ) ( resid  24 and name  hg+ )   2.8   1.0   0.0
assign ( resid  24 and name  he+ ) ( resid  24 and name  hg+ )   5.0   3.2   0.0
assign ( resid  24 and name  hg+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  25 and name   hn )   3.8   2.0   0.0
assign ( resid  24 and name  hb+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hg+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name  ha+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name  ha+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name  hb+ )   3.8   2.0   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name  hg+ )   3.8   2.0   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hb+ ) ( resid  26 and name  hg+ )   2.8   1.0   0.0
assign ( resid  26 and name  hb+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hg+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  27 and name   hn )   3.8   2.0   0.0
assign ( resid  26 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name  hg+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name  hb+ )   2.8   1.0   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  27 and name  hb+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name hd++ )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hg )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name  hb+ )   3.8   2.0   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name  hb+ ) ( resid  28 and name hd++ )   2.8   1.0   0.0
assign ( resid  28 and name  hb+ ) ( resid  28 and name   hg )   2.8   1.0   0.0
assign ( resid  28 and name  hb+ ) ( resid  28 and name   hn )   3.8   2.0   0.0
assign ( resid  28 and name hd++ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   hg ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  29 and name  hd+ )   2.8   1.0   0.0
assign ( resid  28 and name  hb+ ) ( resid  29 and name  hd+ )   3.8   2.0   0.0
assign ( resid  28 and name hd++ ) ( resid  29 and name  hd+ )   3.8   2.0   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hb+ )   2.8   1.0   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hd+ )   2.8   1.0   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hg+ )   2.8   1.0   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name  hd+ )   3.8   2.0   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name  hg+ )   2.8   1.0   0.0
assign ( resid  29 and name  hd+ ) ( resid  29 and name  hg+ )   2.8   1.0   0.0
assign ( resid  29 and name   ha ) ( resid  30 and name  hd+ )   2.8   1.0   0.0
assign ( resid  30 and name  hb+ ) ( resid  30 and name  hd+ )   2.8   1.0   0.0
assign ( resid  30 and name  hd+ ) ( resid  30 and name  hg+ )   2.8   1.0   0.0
assign ( resid  31 and name   ha ) ( resid  31 and name  hb+ )   5.0   3.2   0.0
assign ( resid  31 and name  hb+ ) ( resid  31 and name  hg+ )   3.8   2.0   0.0
assign ( resid  31 and name  hd+ ) ( resid  31 and name  hg+ )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name  hb+ )   2.8   1.0   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name  hd+ )   3.8   2.0   0.0
assign ( resid  32 and name   ha ) ( resid  32 and name  hg+ )   3.8   2.0   0.0
assign ( resid  32 and name  hb+ ) ( resid  32 and name  hd+ )   3.8   2.0   0.0
assign ( resid  32 and name  hb+ ) ( resid  32 and name  hg+ )   2.8   1.0   0.0
assign ( resid  32 and name  hd+ ) ( resid  32 and name  hg+ )   3.8   2.0   0.0
assign ( resid  32 and name   ha ) ( resid  33 and name   hn )   3.8   2.0   0.0
assign ( resid  32 and name  hb+ ) ( resid  33 and name   hn )   3.8   2.0   0.0
assign ( resid  32 and name  hd+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name  hb+ )   3.8   2.0   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name  hg+ )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  hb+ ) ( resid  33 and name  hg+ )   2.8   1.0   0.0
assign ( resid  33 and name  hb+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  hg+ ) ( resid  33 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   ha ) ( resid  34 and name   hn )   3.8   2.0   0.0
assign ( resid  33 and name  hb+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  hg+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name  hb+ )   3.8   2.0   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name hd2+ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name hd2+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name hd2+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  35 and name  hd+ )   2.8   1.0   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name  hd+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name  hg+ )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  35 and name  hd+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  37 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name  hb+ )   2.8   1.0   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name  hd+ )   2.8   1.0   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name  hg+ )   3.8   2.0   0.0
assign ( resid  35 and name  hb+ ) ( resid  35 and name  hd+ )   3.8   2.0   0.0
assign ( resid  35 and name  hb+ ) ( resid  35 and name  hg+ )   2.8   1.0   0.0
assign ( resid  35 and name  hd+ ) ( resid  35 and name  hg+ )   2.8   1.0   0.0
assign ( resid  35 and name   ha ) ( resid  36 and name   hn )   3.8   2.0   0.0
assign ( resid  35 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hd+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hg+ ) ( resid  36 and name   hn )   3.8   2.0   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name  hb+ )   3.8   2.0   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name  hg+ )   3.8   2.0   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name  hb+ ) ( resid  36 and name  hg+ )   2.8   1.0   0.0
assign ( resid  36 and name  hb+ ) ( resid  36 and name   hn )   3.8   2.0   0.0
assign ( resid  36 and name  hg+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   ha ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name  hb+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name  hg+ ) ( resid  40 and name  hb+ )   5.0   3.2   0.0
assign ( resid  36 and name  hb+ ) ( resid  41 and name hg++ )   2.8   1.0   0.0
assign ( resid  36 and name  hg+ ) ( resid  41 and name hg++ )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  41 and name hg++ )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name  hb+ )   2.8   1.0   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name  hb+ ) ( resid  40 and name   ha )   3.8   2.0   0.0
assign ( resid  37 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  hb+ )   2.8   1.0   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  39 and name   ha )   3.8   2.0   0.0
assign ( resid  38 and name  hb+ ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   hn ) ( resid  39 and name   ha )   5.0   3.2   0.0
assign ( resid  38 and name   hn ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  41 and name   hb )   3.8   2.0   0.0
assign ( resid  38 and name   ha ) ( resid  41 and name hg++ )   3.8   2.0   0.0
assign ( resid  38 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name  hb+ )   2.8   1.0   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  39 and name   hn )   3.8   2.0   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  40 and name   ha )   3.8   2.0   0.0
assign ( resid  39 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name  hb+ )   3.8   2.0   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  40 and name  hb+ )   3.8   2.0   0.0
assign ( resid  40 and name   ha ) ( resid  40 and name  hg+ )   3.8   2.0   0.0
assign ( resid  40 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  40 and name   he )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  40 and name  hg+ )   2.8   1.0   0.0
assign ( resid  40 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  40 and name  hd+ )   5.0   3.2   0.0
assign ( resid  40 and name  hd+ ) ( resid  40 and name   he )   5.0   3.2   0.0
assign ( resid  40 and name  hd+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hd+ ) ( resid  40 and name  hg+ )   3.8   2.0   0.0
assign ( resid  40 and name   he ) ( resid  40 and name  hg+ )   5.0   3.2   0.0
assign ( resid  40 and name  hg+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name  hb+ ) ( resid  41 and name   ha )   5.0   3.2   0.0
assign ( resid  40 and name  hd+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  41 and name hg++ )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hb )   3.8   2.0   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name hg++ )   2.8   1.0   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name hg++ )   2.8   1.0   0.0
assign ( resid  41 and name   hb ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg++ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name hg++ ) ( resid  42 and name  hg+ )   3.8   2.0   0.0
assign ( resid  41 and name hg++ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hb+ )   3.8   2.0   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hd+ )   3.8   2.0   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hg+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name   he )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name  hd+ )   3.8   2.0   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name  hg+ )   3.8   2.0   0.0
assign ( resid  42 and name  hd+ ) ( resid  42 and name   he )   5.0   3.2   0.0
assign ( resid  42 and name  hd+ ) ( resid  42 and name  hg+ )   2.8   1.0   0.0
assign ( resid  42 and name  hd+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   he ) ( resid  42 and name  hg+ )   5.0   3.2   0.0
assign ( resid  42 and name  hg+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hg+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   he ) ( resid  46 and name hd1+ )   5.0   3.2   0.0
assign ( resid  42 and name  hd+ ) ( resid  66 and name  he+ )   3.8   2.0   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  hb+ )   3.8   2.0   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  he3 )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name  hd1 )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hd1 ) ( resid  43 and name  he1 )   5.0   3.2   0.0
assign ( resid  43 and name  he1 ) ( resid  43 and name  hh2 )   5.0   3.2   0.0
assign ( resid  43 and name  he1 ) ( resid  43 and name  hz2 )   5.0   3.2   0.0
assign ( resid  43 and name  he3 ) ( resid  43 and name  hz3 )   3.8   2.0   0.0
assign ( resid  43 and name  hh2 ) ( resid  43 and name  hz2 )   3.8   2.0   0.0
assign ( resid  43 and name  hh2 ) ( resid  43 and name  hz3 )   3.8   2.0   0.0
assign ( resid  43 and name   ha ) ( resid  44 and name   ha )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  46 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name   ha ) ( resid  46 and name   hb )   3.8   2.0   0.0
assign ( resid  43 and name   ha ) ( resid  46 and name hd1+ )   3.8   2.0   0.0
assign ( resid  43 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  46 and name hd1+ )   3.8   2.0   0.0
assign ( resid  43 and name  he3 ) ( resid  46 and name hd1+ )   3.8   2.0   0.0
assign ( resid  43 and name  he3 ) ( resid  46 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name  hh2 ) ( resid  46 and name hd1+ )   3.8   2.0   0.0
assign ( resid  43 and name  hz3 ) ( resid  46 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name  he1 ) ( resid  47 and name he2+ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  74 and name hg2+ )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  74 and name hg2+ )   5.0   3.2   0.0
assign ( resid  43 and name  hd1 ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name  he1 ) ( resid  74 and name hg2+ )   5.0   3.2   0.0
assign ( resid  43 and name  he3 ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name  hh2 ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name  hz2 ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name  hz3 ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  43 and name  hh2 ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  43 and name  hz3 ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  43 and name  he1 ) ( resid  78 and name  hg+ )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name  hb+ )   3.8   2.0   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name  hg+ )   3.8   2.0   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hb+ ) ( resid  44 and name  hg+ )   3.8   2.0   0.0
assign ( resid  44 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hg+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hb+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name  hg+ )   3.8   2.0   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hg+ ) ( resid  48 and name  hg+ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name  hb+ )   3.8   2.0   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name  hd2 )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name hg1+ )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name hd1+ )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name hg1+ )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  48 and name  hb+ )   3.8   2.0   0.0
assign ( resid  45 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hd2 ) ( resid  49 and name hd1+ )   5.0   3.2   0.0
assign ( resid  45 and name  hd2 ) ( resid  49 and name hg2+ )   5.0   3.2   0.0
assign ( resid  45 and name  hd2 ) ( resid  64 and name hd++ )   3.8   2.0   0.0
assign ( resid  45 and name   hn ) ( resid  64 and name   hg )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  64 and name hd++ )   5.0   3.2   0.0
assign ( resid  45 and name  hd2 ) ( resid  71 and name hd++ )   5.0   3.2   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name   hb )   5.0   3.2   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name hd1+ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name hg1+ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name hg2+ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hb ) ( resid  46 and name hd1+ )   3.8   2.0   0.0
assign ( resid  46 and name   hb ) ( resid  46 and name hg1+ )   3.8   2.0   0.0
assign ( resid  46 and name   hb ) ( resid  46 and name hg2+ )   2.8   1.0   0.0
assign ( resid  46 and name   hb ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hd1+ ) ( resid  46 and name hg1+ )   2.8   1.0   0.0
assign ( resid  46 and name hd1+ ) ( resid  46 and name hg2+ )   2.8   1.0   0.0
assign ( resid  46 and name hd1+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg1+ ) ( resid  46 and name hg2+ )   3.8   2.0   0.0
assign ( resid  46 and name hg1+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hb ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hd1+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid  47 and name   ha )   3.8   2.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   ha ) ( resid  49 and name hg2+ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid  49 and name hg2+ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid  50 and name  hb+ )   3.8   2.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name hg2+ ) ( resid  60 and name hg2+ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  64 and name hd++ )   3.8   2.0   0.0
assign ( resid  46 and name   ha ) ( resid  64 and name   hg )   3.8   2.0   0.0
assign ( resid  46 and name hg1+ ) ( resid  64 and name   hg )   2.8   1.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  64 and name   hg )   2.8   1.0   0.0
assign ( resid  46 and name   hn ) ( resid  64 and name   hg )   5.0   3.2   0.0
assign ( resid  46 and name hd1+ ) ( resid  66 and name  he+ )   2.8   1.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  66 and name  he+ )   3.8   2.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  71 and name hd++ )   2.8   1.0   0.0
assign ( resid  46 and name   hb ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  74 and name hg2+ )   2.8   1.0   0.0
assign ( resid  46 and name hd1+ ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  46 and name hg2+ ) ( resid  75 and name hd++ )   2.8   1.0   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name  hb+ )   3.8   2.0   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name  hg+ )   3.8   2.0   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name  hg+ )   2.8   1.0   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name he2+ ) ( resid  47 and name  hg+ )   5.0   3.2   0.0
assign ( resid  47 and name  hg+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  48 and name  hd+ )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  49 and name hg2+ )   3.8   2.0   0.0
assign ( resid  47 and name   hn ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name  hb+ )   3.8   2.0   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name  hd+ )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hg+ ) ( resid  51 and name  hg+ )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  60 and name hg2+ )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  75 and name hd++ )   5.0   3.2   0.0
assign ( resid  47 and name he2+ ) ( resid  75 and name hd++ )   5.0   3.2   0.0
assign ( resid  47 and name he2+ ) ( resid  75 and name   ha )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name  hb+ )   3.8   2.0   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name  hd+ )   3.8   2.0   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name  hg+ )   3.8   2.0   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  48 and name  hd+ )   2.8   1.0   0.0
assign ( resid  48 and name  hb+ ) ( resid  48 and name  hg+ )   2.8   1.0   0.0
assign ( resid  48 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hd+ ) ( resid  48 and name  hg+ )   2.8   1.0   0.0
assign ( resid  48 and name  hd+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hd+ ) ( resid  48 and name   he )   2.8   1.0   0.0
assign ( resid  48 and name   he ) ( resid  48 and name  hg+ )   5.0   3.2   0.0
assign ( resid  48 and name  hg+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hd+ ) ( resid  49 and name   hb )   3.8   2.0   0.0
assign ( resid  48 and name  hd+ ) ( resid  49 and name hd1+ )   3.8   2.0   0.0
assign ( resid  48 and name  hg+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hg+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name  hb+ ) ( resid  63 and name   he )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name   hb )   3.8   2.0   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name hd1+ )   2.8   1.0   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hb ) ( resid  49 and name hd1+ )   3.8   2.0   0.0
assign ( resid  49 and name   hb ) ( resid  49 and name hg1+ )   3.8   2.0   0.0
assign ( resid  49 and name   hb ) ( resid  49 and name hg2+ )   2.8   1.0   0.0
assign ( resid  49 and name   hb ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hd1+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hg1+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hg1+ ) ( resid  49 and name hg2+ )   3.8   2.0   0.0
assign ( resid  49 and name hg2+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hb ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hd1+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hg1+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hg2+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  52 and name  hb+ )   3.8   2.0   0.0
assign ( resid  49 and name   ha ) ( resid  52 and name  hg+ )   3.8   2.0   0.0
assign ( resid  49 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hd1+ ) ( resid  52 and name  hb+ )   3.8   2.0   0.0
assign ( resid  49 and name hd1+ ) ( resid  52 and name  hg+ )   5.0   3.2   0.0
assign ( resid  49 and name hg2+ ) ( resid  52 and name  hg+ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hb ) ( resid  60 and name hg2+ )   3.8   2.0   0.0
assign ( resid  49 and name hg2+ ) ( resid  60 and name   ha )   3.8   2.0   0.0
assign ( resid  49 and name hg2+ ) ( resid  60 and name   hb )   5.0   3.2   0.0
assign ( resid  49 and name hg1+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hd1+ ) ( resid  63 and name  hd+ )   5.0   3.2   0.0
assign ( resid  49 and name hg2+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name hg2+ ) ( resid  63 and name  hd+ )   3.8   2.0   0.0
assign ( resid  49 and name hg2+ ) ( resid  63 and name  hg+ )   3.8   2.0   0.0
assign ( resid  49 and name   ha ) ( resid  64 and name hd++ )   5.0   3.2   0.0
assign ( resid  49 and name   hb ) ( resid  64 and name hd++ )   3.8   2.0   0.0
assign ( resid  49 and name hg1+ ) ( resid  64 and name hd++ )   3.8   2.0   0.0
assign ( resid  49 and name hg2+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid  64 and name hd++ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name  hd+ )   3.8   2.0   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  hb+ ) ( resid  50 and name  hd+ )   3.8   2.0   0.0
assign ( resid  50 and name  hb+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  hd+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  hb+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  hd+ ) ( resid  51 and name  hg+ )   5.0   3.2   0.0
assign ( resid  50 and name  hd+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  hd+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  55 and name   ha )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  55 and name  hb+ )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  55 and name  hd+ )   3.8   2.0   0.0
assign ( resid  50 and name  hd+ ) ( resid  57 and name hg++ )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  57 and name   ha )   3.8   2.0   0.0
assign ( resid  50 and name  he+ ) ( resid  57 and name hg++ )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  60 and name hg2+ )   3.8   2.0   0.0
assign ( resid  50 and name  hb+ ) ( resid  60 and name hg2+ )   3.8   2.0   0.0
assign ( resid  50 and name  hd+ ) ( resid  60 and name hg2+ )   3.8   2.0   0.0
assign ( resid  50 and name   hn ) ( resid  60 and name hg2+ )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  64 and name hd++ )   5.0   3.2   0.0
assign ( resid  50 and name  hd+ ) ( resid  75 and name hd++ )   5.0   3.2   0.0
assign ( resid  50 and name  he+ ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  50 and name  he+ ) ( resid  75 and name   hg )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name  hb+ )   2.8   1.0   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name  hg+ )   3.8   2.0   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name  hg+ )   2.8   1.0   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hg+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  52 and name  hg+ )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   hn ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  55 and name  hg+ )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  hb+ )   2.8   1.0   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  hg+ )   3.8   2.0   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name  hg+ )   3.8   2.0   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hg+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hb+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hg+ ) ( resid  53 and name  hb+ )   5.0   3.2   0.0
assign ( resid  52 and name  hg+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hg+ ) ( resid  63 and name  hd+ )   3.8   2.0   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name  hb+ )   3.8   2.0   0.0
assign ( resid  53 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  59 and name  hb+ )   3.8   2.0   0.0
assign ( resid  53 and name   hn ) ( resid  59 and name  hb+ )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  59 and name  hg+ )   5.0   3.2   0.0
assign ( resid  53 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name  hb+ )   3.8   2.0   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name   hn )   3.8   2.0   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name  hd+ )   3.8   2.0   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name  hb+ )   3.8   2.0   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name  hg+ )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name  hd+ )   3.8   2.0   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name  hg+ )   5.0   3.2   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name  hb+ ) ( resid  55 and name   he )   5.0   3.2   0.0
assign ( resid  55 and name  hd+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name  hd+ ) ( resid  55 and name   he )   5.0   3.2   0.0
assign ( resid  55 and name  hd+ ) ( resid  55 and name  hg+ )   3.8   2.0   0.0
assign ( resid  55 and name   he ) ( resid  55 and name  hg+ )   5.0   3.2   0.0
assign ( resid  55 and name  hg+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   ha ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name  hb+ )   3.8   2.0   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name hd2+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name hd2+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name hd2+ ) ( resid  56 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  57 and name hg++ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name   hn ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name hd2+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  59 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name   hb )   3.8   2.0   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name hg++ )   2.8   1.0   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hb ) ( resid  57 and name hg++ )   2.8   1.0   0.0
assign ( resid  57 and name   hb ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hb ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  58 and name   ha )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  60 and name   hb )   3.8   2.0   0.0
assign ( resid  57 and name   ha ) ( resid  60 and name hg2+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  68 and name   ha )   3.8   2.0   0.0
assign ( resid  57 and name hg++ ) ( resid  68 and name  hd+ )   3.8   2.0   0.0
assign ( resid  57 and name   ha ) ( resid  71 and name hd++ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  71 and name   hg )   3.8   2.0   0.0
assign ( resid  57 and name hg++ ) ( resid  72 and name he2+ )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  72 and name  hg+ )   5.0   3.2   0.0
assign ( resid  57 and name hg++ ) ( resid  75 and name hd++ )   2.8   1.0   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name  hb+ )   2.8   1.0   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name   hn )   3.8   2.0   0.0
assign ( resid  58 and name  hb+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name  hb+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  61 and name  hb+ )   3.8   2.0   0.0
assign ( resid  58 and name  hb+ ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  68 and name  hd+ )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name  hb+ )   3.8   2.0   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name  hg+ )   3.8   2.0   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  59 and name  hg+ )   2.8   1.0   0.0
assign ( resid  59 and name  hb+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hg+ ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  60 and name  hg1 )   5.0   3.2   0.0
assign ( resid  59 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hg+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  61 and name  hb+ )   3.8   2.0   0.0
assign ( resid  59 and name   ha ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name  hg+ ) ( resid  63 and name  hd+ )   3.8   2.0   0.0
assign ( resid  59 and name  hg+ ) ( resid  63 and name   he )   5.0   3.2   0.0
assign ( resid  59 and name  hg+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name   hb )   3.8   2.0   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name  hg1 )   3.8   2.0   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name hg2+ )   3.8   2.0   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   hb ) ( resid  60 and name  hg1 )   3.8   2.0   0.0
assign ( resid  60 and name   hb ) ( resid  60 and name hg2+ )   2.8   1.0   0.0
assign ( resid  60 and name   hb ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hg1 ) ( resid  60 and name hg2+ )   3.8   2.0   0.0
assign ( resid  60 and name  hg1 ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name hg2+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   hb ) ( resid  61 and name   hn )   3.8   2.0   0.0
assign ( resid  60 and name hg2+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   hn ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  63 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  64 and name hd++ )   5.0   3.2   0.0
assign ( resid  60 and name   hb ) ( resid  64 and name hd++ )   5.0   3.2   0.0
assign ( resid  60 and name hg2+ ) ( resid  64 and name   hg )   2.8   1.0   0.0
assign ( resid  60 and name hg2+ ) ( resid  64 and name hd++ )   3.8   2.0   0.0
assign ( resid  60 and name   hb ) ( resid  71 and name   hg )   3.8   2.0   0.0
assign ( resid  60 and name hg2+ ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name  hb+ )   2.8   1.0   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  61 and name   hn )   3.8   2.0   0.0
assign ( resid  61 and name   ha ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   hn ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  64 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  64 and name   hg )   3.8   2.0   0.0
assign ( resid  61 and name   ha ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   hn ) ( resid  64 and name hd++ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  66 and name  hb+ )   3.8   2.0   0.0
assign ( resid  61 and name   ha ) ( resid  66 and name  he+ )   3.8   2.0   0.0
assign ( resid  61 and name   ha ) ( resid  66 and name  hg+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  66 and name  hb+ )   3.8   2.0   0.0
assign ( resid  61 and name  hb+ ) ( resid  66 and name  hg+ )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  68 and name   ha )   2.8   1.0   0.0
assign ( resid  61 and name  hb+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  71 and name hd++ )   3.8   2.0   0.0
assign ( resid  61 and name   ha ) ( resid  71 and name   hg )   3.8   2.0   0.0
assign ( resid  61 and name  hb+ ) ( resid  71 and name   hg )   2.8   1.0   0.0
assign ( resid  61 and name   hn ) ( resid  71 and name   hg )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hb+ )   2.8   1.0   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hg+ )   3.8   2.0   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name   he )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name  hg+ )   2.8   1.0   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hd+ ) ( resid  62 and name   he )   5.0   3.2   0.0
assign ( resid  62 and name  hd+ ) ( resid  62 and name  hg+ )   3.8   2.0   0.0
assign ( resid  62 and name  hd+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   he ) ( resid  62 and name  hg+ )   5.0   3.2   0.0
assign ( resid  62 and name  hg+ ) ( resid  62 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hd+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   hn ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hd+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   hn ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name  hb+ )   3.8   2.0   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name  hd+ )   3.8   2.0   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name  hg+ )   3.8   2.0   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name   he )   5.0   3.2   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name  hg+ )   2.8   1.0   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name  hd+ )   3.8   2.0   0.0
assign ( resid  63 and name  hb+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hd+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name  hd+ ) ( resid  63 and name   he )   5.0   3.2   0.0
assign ( resid  63 and name  hd+ ) ( resid  63 and name  hg+ )   3.8   2.0   0.0
assign ( resid  63 and name   he ) ( resid  63 and name  hg+ )   5.0   3.2   0.0
assign ( resid  63 and name  hg+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  71 and name hd++ )   5.0   3.2   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name  hb+ )   3.8   2.0   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name hd++ )   3.8   2.0   0.0
assign ( resid  64 and name   ha ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  64 and name hd++ )   3.8   2.0   0.0
assign ( resid  64 and name  hb+ ) ( resid  64 and name   hg )   2.8   1.0   0.0
assign ( resid  64 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name hd++ ) ( resid  64 and name   hg )   2.8   1.0   0.0
assign ( resid  64 and name hd++ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   hg ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name hd++ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  66 and name  hg+ )   3.8   2.0   0.0
assign ( resid  64 and name hd++ ) ( resid  66 and name  hg+ )   5.0   3.2   0.0
assign ( resid  64 and name   hg ) ( resid  66 and name  he+ )   2.8   1.0   0.0
assign ( resid  64 and name   hn ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name hd2+ )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name  hb+ )   2.8   1.0   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name   hn )   3.8   2.0   0.0
assign ( resid  65 and name  hb+ ) ( resid  65 and name hd2+ )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name hd2+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  66 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  66 and name  hg+ )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name  hg+ )   3.8   2.0   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name  hb+ )   3.8   2.0   0.0
assign ( resid  66 and name  hb+ ) ( resid  66 and name  he+ )   2.8   1.0   0.0
assign ( resid  66 and name  hb+ ) ( resid  66 and name  hg+ )   3.8   2.0   0.0
assign ( resid  66 and name  hb+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  he+ ) ( resid  66 and name  hg+ )   2.8   1.0   0.0
assign ( resid  66 and name  he+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hg+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  67 and name  hb+ )   3.8   2.0   0.0
assign ( resid  66 and name   ha ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  he+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hg+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  70 and name hg2+ )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  70 and name   hb )   5.0   3.2   0.0
assign ( resid  66 and name  he+ ) ( resid  70 and name   ha )   3.8   2.0   0.0
assign ( resid  66 and name  he+ ) ( resid  70 and name   hb )   3.8   2.0   0.0
assign ( resid  66 and name  he+ ) ( resid  70 and name hg2+ )   2.8   1.0   0.0
assign ( resid  66 and name  hg+ ) ( resid  70 and name   ha )   5.0   3.2   0.0
assign ( resid  66 and name  hg+ ) ( resid  70 and name hg2+ )   3.8   2.0   0.0
assign ( resid  66 and name  he+ ) ( resid  71 and name hd++ )   2.8   1.0   0.0
assign ( resid  66 and name  he+ ) ( resid  71 and name   ha )   2.8   1.0   0.0
assign ( resid  66 and name  he+ ) ( resid  71 and name   hn )   3.8   2.0   0.0
assign ( resid  66 and name  hg+ ) ( resid  71 and name hd++ )   5.0   3.2   0.0
assign ( resid  66 and name  hg+ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hg+ ) ( resid  74 and name hd1+ )   3.8   2.0   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name  hb+ )   3.8   2.0   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  70 and name   hb )   3.8   2.0   0.0
assign ( resid  67 and name  hb+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  70 and name   hb )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name  hb+ )   3.8   2.0   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name  hg+ )   3.8   2.0   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  68 and name   he )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  68 and name  hd+ )   3.8   2.0   0.0
assign ( resid  68 and name  hb+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  68 and name  hg+ )   3.8   2.0   0.0
assign ( resid  68 and name  hd+ ) ( resid  68 and name   he )   5.0   3.2   0.0
assign ( resid  68 and name  hd+ ) ( resid  68 and name  hg+ )   2.8   1.0   0.0
assign ( resid  68 and name   he ) ( resid  68 and name  hg+ )   5.0   3.2   0.0
assign ( resid  68 and name  hg+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  69 and name   he )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  71 and name  hb+ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  71 and name hd++ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hd+ ) ( resid  71 and name hd++ )   5.0   3.2   0.0
assign ( resid  68 and name  hg+ ) ( resid  72 and name  hb+ )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  hb+ )   3.8   2.0   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  hd+ )   3.8   2.0   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  hg+ )   3.8   2.0   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name   he )   5.0   3.2   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name  hg+ )   2.8   1.0   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name  hd+ )   3.8   2.0   0.0
assign ( resid  69 and name  hd+ ) ( resid  69 and name   he )   5.0   3.2   0.0
assign ( resid  69 and name  hd+ ) ( resid  69 and name  hg+ )   2.8   1.0   0.0
assign ( resid  69 and name  hd+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   he ) ( resid  69 and name  hg+ )   5.0   3.2   0.0
assign ( resid  69 and name  hg+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name  hb+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name  hg+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  72 and name  hb+ )   3.8   2.0   0.0
assign ( resid  69 and name   ha ) ( resid  72 and name  hg+ )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name   hb )   3.8   2.0   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name hg2+ )   3.8   2.0   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hb ) ( resid  70 and name hg2+ )   2.8   1.0   0.0
assign ( resid  70 and name   hb ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name hg2+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hb ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name hg2+ ) ( resid  71 and name   ha )   3.8   2.0   0.0
assign ( resid  70 and name hg2+ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name hg2+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name hg2+ ) ( resid  74 and name hd1+ )   2.8   1.0   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name hd++ )   3.8   2.0   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name  hb+ )   3.8   2.0   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name   hg )   3.8   2.0   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name  hb+ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name  hb+ ) ( resid  71 and name hd++ )   3.8   2.0   0.0
assign ( resid  71 and name  hb+ ) ( resid  71 and name   hg )   3.8   2.0   0.0
assign ( resid  71 and name hd++ ) ( resid  71 and name   hg )   3.8   2.0   0.0
assign ( resid  71 and name hd++ ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   hg ) ( resid  71 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name  hb+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name hd++ ) ( resid  72 and name   ha )   5.0   3.2   0.0
assign ( resid  71 and name   hn ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  71 and name   ha ) ( resid  74 and name   hb )   3.8   2.0   0.0
assign ( resid  71 and name   ha ) ( resid  74 and name hd1+ )   3.8   2.0   0.0
assign ( resid  71 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name  hb+ ) ( resid  75 and name hd++ )   5.0   3.2   0.0
assign ( resid  71 and name hd++ ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  71 and name hd++ ) ( resid  75 and name   hg )   3.8   2.0   0.0
assign ( resid  71 and name hd++ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name   hg ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name  hb+ )   3.8   2.0   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name  hg+ )   3.8   2.0   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  72 and name he2+ )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  72 and name  hg+ )   2.8   1.0   0.0
assign ( resid  72 and name  hb+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name he2+ ) ( resid  72 and name  hg+ )   5.0   3.2   0.0
assign ( resid  72 and name  hg+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hg+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  74 and name hd1+ )   5.0   3.2   0.0
assign ( resid  72 and name   hn ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  75 and name  hb+ )   3.8   2.0   0.0
assign ( resid  72 and name   ha ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  72 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name he2+ ) ( resid  75 and name hd++ )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  76 and name  hb+ )   3.8   2.0   0.0
assign ( resid  72 and name he2+ ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  73 and name   ha ) ( resid  73 and name  hb+ )   2.8   1.0   0.0
assign ( resid  73 and name   ha ) ( resid  73 and name  hd+ )   3.8   2.0   0.0
assign ( resid  73 and name   ha ) ( resid  73 and name  hg+ )   3.8   2.0   0.0
assign ( resid  73 and name   ha ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  hb+ ) ( resid  73 and name  hd+ )   2.8   1.0   0.0
assign ( resid  73 and name  hb+ ) ( resid  73 and name   he )   5.0   3.2   0.0
assign ( resid  73 and name  hb+ ) ( resid  73 and name   hn )   3.8   2.0   0.0
assign ( resid  73 and name  hd+ ) ( resid  73 and name   he )   5.0   3.2   0.0
assign ( resid  73 and name  hd+ ) ( resid  73 and name  hg+ )   2.8   1.0   0.0
assign ( resid  73 and name  hd+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name   he ) ( resid  73 and name  hg+ )   5.0   3.2   0.0
assign ( resid  73 and name  hg+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name   ha ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  hg+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name   ha ) ( resid  76 and name  hb+ )   2.8   1.0   0.0
assign ( resid  73 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  hb+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  hd+ ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  73 and name  hg+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name   hn ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name   hb )   3.8   2.0   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name hd1+ )   3.8   2.0   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name hg1+ )   3.8   2.0   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name hg2+ )   3.8   2.0   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hb ) ( resid  74 and name hd1+ )   2.8   1.0   0.0
assign ( resid  74 and name   hb ) ( resid  74 and name hg1+ )   3.8   2.0   0.0
assign ( resid  74 and name   hb ) ( resid  74 and name hg2+ )   2.8   1.0   0.0
assign ( resid  74 and name   hb ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hd1+ ) ( resid  74 and name hg1+ )   2.8   1.0   0.0
assign ( resid  74 and name hd1+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg1+ ) ( resid  74 and name hg2+ )   2.8   1.0   0.0
assign ( resid  74 and name hg1+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg2+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hb ) ( resid  75 and name   ha )   5.0   3.2   0.0
assign ( resid  74 and name   hb ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hd1+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg1+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg2+ ) ( resid  75 and name   ha )   3.8   2.0   0.0
assign ( resid  74 and name hg2+ ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  74 and name hg2+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  77 and name  hd+ )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg2+ ) ( resid  78 and name  hd+ )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name  hb+ )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name   hg )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name  hb+ ) ( resid  75 and name   hg )   3.8   2.0   0.0
assign ( resid  75 and name  hb+ ) ( resid  75 and name hd++ )   3.8   2.0   0.0
assign ( resid  75 and name  hb+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name hd++ ) ( resid  75 and name   hg )   2.8   1.0   0.0
assign ( resid  75 and name hd++ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   hg ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name  hb+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name hd++ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   hn ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  78 and name  hd+ )   3.8   2.0   0.0
assign ( resid  75 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name  hb+ )   2.8   1.0   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  76 and name   hn )   3.8   2.0   0.0
assign ( resid  76 and name   ha ) ( resid  77 and name   hn )   3.8   2.0   0.0
assign ( resid  76 and name  hb+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hb+ )   2.8   1.0   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hd+ )   3.8   2.0   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hg+ )   3.8   2.0   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name  he+ )   3.8   2.0   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name  hg+ )   2.8   1.0   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name   hn )   3.8   2.0   0.0
assign ( resid  77 and name  hd+ ) ( resid  77 and name  he+ )   2.8   1.0   0.0
assign ( resid  77 and name  hd+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  he+ ) ( resid  77 and name  hg+ )   5.0   3.2   0.0
assign ( resid  77 and name  hg+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name  hg+ )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hd+ ) ( resid  78 and name  hg+ )   3.8   2.0   0.0
assign ( resid  77 and name   hn ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hg+ ) ( resid  81 and name  hb+ )   3.8   2.0   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name  hg+ )   3.8   2.0   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name  hb+ )   3.8   2.0   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name  hd+ )   3.8   2.0   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  78 and name  hd+ )   3.8   2.0   0.0
assign ( resid  78 and name  hb+ ) ( resid  78 and name   he )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  78 and name   hn )   3.8   2.0   0.0
assign ( resid  78 and name  hd+ ) ( resid  78 and name   he )   5.0   3.2   0.0
assign ( resid  78 and name  hd+ ) ( resid  78 and name  hg+ )   3.8   2.0   0.0
assign ( resid  78 and name   he ) ( resid  78 and name  hg+ )   5.0   3.2   0.0
assign ( resid  78 and name  hg+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name  hb+ )   3.8   2.0   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  80 and name  hd+ )   2.8   1.0   0.0
assign ( resid  79 and name   hn ) ( resid  80 and name  hd+ )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hb+ )   2.8   1.0   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hd+ )   3.8   2.0   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hg+ )   3.8   2.0   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name  hd+ )   3.8   2.0   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name  hg+ )   2.8   1.0   0.0
assign ( resid  80 and name  hd+ ) ( resid  80 and name  hg+ )   2.8   1.0   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name   hn )   3.8   2.0   0.0
assign ( resid  80 and name  hb+ ) ( resid  81 and name   ha )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hd+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  81 and name   hn )   3.8   2.0   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name  hb+ )   3.8   2.0   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name  hg+ )   3.8   2.0   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name  hd+ )   3.8   2.0   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name  hg+ )   2.8   1.0   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hd+ ) ( resid  81 and name  hg+ )   2.8   1.0   0.0
assign ( resid  81 and name  hd+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hg+ ) ( resid  81 and name   hn )   5.0   3.2   0.0
assign (resid  37 and name c ) (resid  38 and name n ) 
 (resid  38 and name ca ) (resid  38 and name c ) 1.0   -68 20  2 ! 38 -68 20
assign (resid  38 and name n ) (resid  38 and name ca ) 
 (resid  38 and name c ) (resid  39 and name n ) 1.0   -33 26  2 ! 38 -33 26
assign (resid  38 and name c ) (resid  39 and name n ) 
 (resid  39 and name ca ) (resid  39 and name c ) 1.0   -70 32  2 ! 39 -70 32
assign (resid  39 and name n ) (resid  39 and name ca ) 
 (resid  39 and name c ) (resid  40 and name n ) 1.0   -31 28  2 ! 39 -31 28
assign (resid  39 and name c ) (resid  40 and name n ) 
 (resid  40 and name ca ) (resid  40 and name c ) 1.0   -66 12  2 ! 40 -66 12
assign (resid  40 and name n ) (resid  40 and name ca ) 
 (resid  40 and name c ) (resid  41 and name n ) 1.0   -42 12  2 ! 40 -42 12
assign (resid  40 and name c ) (resid  41 and name n ) 
 (resid  41 and name ca ) (resid  41 and name c ) 1.0   -66 10  2 ! 41 -66 10
assign (resid  41 and name n ) (resid  41 and name ca ) 
 (resid  41 and name c ) (resid  42 and name n ) 1.0   -40 12  2 ! 41 -40 12
assign (resid  41 and name c ) (resid  42 and name n ) 
 (resid  42 and name ca ) (resid  42 and name c ) 1.0   -62 14  2 ! 42 -62 14
assign (resid  42 and name n ) (resid  42 and name ca ) 
 (resid  42 and name c ) (resid  43 and name n ) 1.0   -39 8  2 ! 42 -39 8
assign (resid  42 and name c ) (resid  43 and name n ) 
 (resid  43 and name ca ) (resid  43 and name c ) 1.0   -66 16  2 ! 43 -66 16
assign (resid  43 and name n ) (resid  43 and name ca ) 
 (resid  43 and name c ) (resid  44 and name n ) 1.0   -43 14  2 ! 43 -43 14
assign (resid  43 and name c ) (resid  44 and name n ) 
 (resid  44 and name ca ) (resid  44 and name c ) 1.0   -67 14  2 ! 44 -67 14
assign (resid  44 and name n ) (resid  44 and name ca ) 
 (resid  44 and name c ) (resid  45 and name n ) 1.0   -39 16  2 ! 44 -39 16
assign (resid  44 and name c ) (resid  45 and name n ) 
 (resid  45 and name ca ) (resid  45 and name c ) 1.0   -68 12  2 ! 45 -68 12
assign (resid  45 and name n ) (resid  45 and name ca ) 
 (resid  45 and name c ) (resid  46 and name n ) 1.0   -42 22  2 ! 45 -42 22
assign (resid  45 and name c ) (resid  46 and name n ) 
 (resid  46 and name ca ) (resid  46 and name c ) 1.0   -69 16  2 ! 46 -69 16
assign (resid  46 and name n ) (resid  46 and name ca ) 
 (resid  46 and name c ) (resid  47 and name n ) 1.0   -37 22  2 ! 46 -37 22
assign (resid  46 and name c ) (resid  47 and name n ) 
 (resid  47 and name ca ) (resid  47 and name c ) 1.0   -63 12  2 ! 47 -63 12
assign (resid  47 and name n ) (resid  47 and name ca ) 
 (resid  47 and name c ) (resid  48 and name n ) 1.0   -40 22  2 ! 47 -40 22
assign (resid  47 and name c ) (resid  48 and name n ) 
 (resid  48 and name ca ) (resid  48 and name c ) 1.0   -67 18  2 ! 48 -67 18
assign (resid  48 and name n ) (resid  48 and name ca ) 
 (resid  48 and name c ) (resid  49 and name n ) 1.0   -38 24  2 ! 48 -38 24
assign (resid  48 and name c ) (resid  49 and name n ) 
 (resid  49 and name ca ) (resid  49 and name c ) 1.0   -69 16  2 ! 49 -69 16
assign (resid  49 and name n ) (resid  49 and name ca ) 
 (resid  49 and name c ) (resid  50 and name n ) 1.0   -40 16  2 ! 49 -40 16
assign (resid  49 and name c ) (resid  50 and name n ) 
 (resid  50 and name ca ) (resid  50 and name c ) 1.0   -63 30  2 ! 50 -63 30
assign (resid  50 and name n ) (resid  50 and name ca ) 
 (resid  50 and name c ) (resid  51 and name n ) 1.0   -37 20  2 ! 50 -37 20
assign (resid  50 and name c ) (resid  51 and name n ) 
 (resid  51 and name ca ) (resid  51 and name c ) 1.0   -64 8  2 ! 51 -64 8
assign (resid  51 and name n ) (resid  51 and name ca ) 
 (resid  51 and name c ) (resid  52 and name n ) 1.0   -44 16  2 ! 51 -44 16
assign (resid  51 and name c ) (resid  52 and name n ) 
 (resid  52 and name ca ) (resid  52 and name c ) 1.0   -69 10  2 ! 52 -69 10
assign (resid  52 and name n ) (resid  52 and name ca ) 
 (resid  52 and name c ) (resid  53 and name n ) 1.0   -31 30  2 ! 52 -31 30
assign (resid  56 and name c ) (resid  57 and name n ) 
 (resid  57 and name ca ) (resid  57 and name c ) 1.0   -69 32  2 ! 57 -69 32
assign (resid  57 and name n ) (resid  57 and name ca ) 
 (resid  57 and name c ) (resid  58 and name n ) 1.0   -35 36  2 ! 57 -35 36
assign (resid  57 and name c ) (resid  58 and name n ) 
 (resid  58 and name ca ) (resid  58 and name c ) 1.0   -64 16  2 ! 58 -64 16
assign (resid  58 and name n ) (resid  58 and name ca ) 
 (resid  58 and name c ) (resid  59 and name n ) 1.0   -41 10  2 ! 58 -41 10
assign (resid  58 and name c ) (resid  59 and name n ) 
 (resid  59 and name ca ) (resid  59 and name c ) 1.0   -64 10  2 ! 59 -64 10
assign (resid  59 and name n ) (resid  59 and name ca ) 
 (resid  59 and name c ) (resid  60 and name n ) 1.0   -46 10  2 ! 59 -46 10
assign (resid  59 and name c ) (resid  60 and name n ) 
 (resid  60 and name ca ) (resid  60 and name c ) 1.0   -65 12  2 ! 60 -65 12
assign (resid  60 and name n ) (resid  60 and name ca ) 
 (resid  60 and name c ) (resid  61 and name n ) 1.0   -41 16  2 ! 60 -41 16
assign (resid  60 and name c ) (resid  61 and name n ) 
 (resid  61 and name ca ) (resid  61 and name c ) 1.0   -64 8  2 ! 61 -64 8
assign (resid  61 and name n ) (resid  61 and name ca ) 
 (resid  61 and name c ) (resid  62 and name n ) 1.0   -45 16  2 ! 61 -45 16
assign (resid  61 and name c ) (resid  62 and name n ) 
 (resid  62 and name ca ) (resid  62 and name c ) 1.0   -64 12  2 ! 62 -64 12
assign (resid  62 and name n ) (resid  62 and name ca ) 
 (resid  62 and name c ) (resid  63 and name n ) 1.0   -39 14  2 ! 62 -39 14
assign (resid  62 and name c ) (resid  63 and name n ) 
 (resid  63 and name ca ) (resid  63 and name c ) 1.0   -67 16  2 ! 63 -67 16
assign (resid  63 and name n ) (resid  63 and name ca ) 
 (resid  63 and name c ) (resid  64 and name n ) 1.0   -32 26  2 ! 63 -32 26
assign (resid  68 and name c ) (resid  69 and name n ) 
 (resid  69 and name ca ) (resid  69 and name c ) 1.0   -65 18  2 ! 69 -65 18
assign (resid  69 and name n ) (resid  69 and name ca ) 
 (resid  69 and name c ) (resid  70 and name n ) 1.0   -36 26  2 ! 69 -36 26
assign (resid  69 and name c ) (resid  70 and name n ) 
 (resid  70 and name ca ) (resid  70 and name c ) 1.0   -67 16  2 ! 70 -67 16
assign (resid  70 and name n ) (resid  70 and name ca ) 
 (resid  70 and name c ) (resid  71 and name n ) 1.0   -36 26  2 ! 70 -36 26
assign (resid  70 and name c ) (resid  71 and name n ) 
 (resid  71 and name ca ) (resid  71 and name c ) 1.0   -65 14  2 ! 71 -65 14
assign (resid  71 and name n ) (resid  71 and name ca ) 
 (resid  71 and name c ) (resid  72 and name n ) 1.0   -40 22  2 ! 71 -40 22
assign (resid  71 and name c ) (resid  72 and name n ) 
 (resid  72 and name ca ) (resid  72 and name c ) 1.0   -63 12  2 ! 72 -63 12
assign (resid  72 and name n ) (resid  72 and name ca ) 
 (resid  72 and name c ) (resid  73 and name n ) 1.0   -46 14  2 ! 72 -46 14
assign (resid  72 and name c ) (resid  73 and name n ) 
 (resid  73 and name ca ) (resid  73 and name c ) 1.0   -65 14  2 ! 73 -65 14
assign (resid  73 and name n ) (resid  73 and name ca ) 
 (resid  73 and name c ) (resid  74 and name n ) 1.0   -42 16  2 ! 73 -42 16
assign (resid  73 and name c ) (resid  74 and name n ) 
 (resid  74 and name ca ) (resid  74 and name c ) 1.0   -67 12  2 ! 74 -67 12
assign (resid  74 and name n ) (resid  74 and name ca ) 
 (resid  74 and name c ) (resid  75 and name n ) 1.0   -41 16  2 ! 74 -41 16
assign (resid  74 and name c ) (resid  75 and name n ) 
 (resid  75 and name ca ) (resid  75 and name c ) 1.0   -64 14  2 ! 75 -64 14
assign (resid  75 and name n ) (resid  75 and name ca ) 
 (resid  75 and name c ) (resid  76 and name n ) 1.0   -41 12  2 ! 75 -41 12
assign (resid  75 and name c ) (resid  76 and name n ) 
 (resid  76 and name ca ) (resid  76 and name c ) 1.0   -64 16  2 ! 76 -64 16
assign (resid  76 and name n ) (resid  76 and name ca ) 
 (resid  76 and name c ) (resid  77 and name n ) 1.0   -34 34  2 ! 76 -34 34
assign (resid  76 and name c ) (resid  77 and name n ) 
 (resid  77 and name ca ) (resid  77 and name c ) 1.0   -67 12  2 ! 77 -67 12
assign (resid  77 and name n ) (resid  77 and name ca ) 
 (resid  77 and name c ) (resid  78 and name n ) 1.0   -31 18  2 ! 77 -31 18

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU  22          1H        LEU  22  22.592  18.477  14.789
    2    H2   LEU  22          3H        LEU  22  21.181  18.976  15.581
    3    H3   LEU  22          2H        LEU  22  22.539  19.987  15.559
    4    HA   LEU  22           HA       LEU  22  23.788  18.388  16.836
    5   1HB   LEU  22          2HB       LEU  22  22.451  18.590  18.978
    6   2HB   LEU  22          1HB       LEU  22  22.815  20.082  18.140
    7    HG   LEU  22           HG       LEU  22  20.424  19.817  17.141
    8   1HD1  LEU  22          3HD1      LEU  22  20.196  18.111  19.616
    9   2HD1  LEU  22          2HD1      LEU  22  18.852  18.705  18.640
   10   3HD1  LEU  22          1HD1      LEU  22  20.002  17.561  17.949
   11   1HD2  LEU  22          1HD2      LEU  22  20.894  20.552  20.026
   12   2HD2  LEU  22          3HD2      LEU  22  21.105  21.608  18.630
   13   3HD2  LEU  22          2HD2      LEU  22  19.498  21.029  19.059
   14    H    ALA  23           H        ALA  23  24.045  16.404  17.684
   15    HA   ALA  23           HA       ALA  23  23.826  14.174  17.950
   16   1HB   ALA  23          3HB       ALA  23  20.873  14.762  18.119
   17   2HB   ALA  23          2HB       ALA  23  21.664  13.264  18.612
   18   3HB   ALA  23          1HB       ALA  23  22.013  14.769  19.467
   19    H    LYS  24           H        LYS  24  22.560  12.181  17.065
   20    HA   LYS  24           HA       LYS  24  21.756  12.583  14.277
   21   1HB   LYS  24          2HB       LYS  24  23.757  10.525  15.239
   22   2HB   LYS  24          1HB       LYS  24  23.044  10.541  13.635
   23   1HG   LYS  24          2HG       LYS  24  24.052  12.794  13.289
   24   2HG   LYS  24          1HG       LYS  24  24.885  12.594  14.832
   25   1HD   LYS  24          2HD       LYS  24  26.384  11.968  13.054
   26   2HD   LYS  24          1HD       LYS  24  25.918  10.516  13.945
   27   1HE   LYS  24          2HE       LYS  24  24.250  10.002  12.221
   28   2HE   LYS  24          1HE       LYS  24  24.730  11.445  11.328
   29   1HZ   LYS  24          2HZ       LYS  24  26.995  10.464  11.193
   30   2HZ   LYS  24          1HZ       LYS  24  26.381   9.035  11.867
   31   3HZ   LYS  24          3HZ       LYS  24  25.813   9.576  10.363
   32    H    GLY  25           H        GLY  25  21.388   9.864  13.687
   33   1HA   GLY  25          1HA       GLY  25  19.959   8.547  15.786
   34   2HA   GLY  25          2HA       GLY  25  20.040   8.046  14.102
   35    H    GLU  26           H        GLU  26  18.144   9.441  16.523
   36    HA   GLU  26           HA       GLU  26  15.978   9.728  14.574
   37   1HB   GLU  26          2HB       GLU  26  14.466   9.584  16.495
   38   2HB   GLU  26          1HB       GLU  26  15.570   8.218  16.446
   39   1HG   GLU  26          2HG       GLU  26  16.942   9.270  18.176
   40   2HG   GLU  26          1HG       GLU  26  15.824  10.634  18.222
   41    H    SER  27           H        SER  27  18.164  11.650  16.175
   42    HA   SER  27           HA       SER  27  16.429  13.897  16.656
   43   1HB   SER  27          2HB       SER  27  19.450  13.693  16.646
   44   2HB   SER  27          1HB       SER  27  18.528  15.104  17.169
   45    HG   SER  27           HG       SER  27  17.873  14.065  18.936
   46    H    LEU  28           H        LEU  28  18.004  12.585  13.958
   47    HA   LEU  28           HA       LEU  28  17.440  15.039  12.447
   48   1HB   LEU  28          2HB       LEU  28  19.954  14.476  12.970
   49   2HB   LEU  28          1HB       LEU  28  19.757  13.291  11.697
   50    HG   LEU  28           HG       LEU  28  19.275  16.250  11.348
   51   1HD1  LEU  28          3HD1      LEU  28  21.661  14.574  10.592
   52   2HD1  LEU  28          2HD1      LEU  28  21.407  16.263  10.150
   53   3HD1  LEU  28          1HD1      LEU  28  21.612  15.813  11.843
   54   1HD2  LEU  28          1HD2      LEU  28  18.028  14.852   9.777
   55   2HD2  LEU  28          3HD2      LEU  28  19.317  15.737   8.964
   56   3HD2  LEU  28          2HD2      LEU  28  19.517  14.022   9.326
   57    HA   PRO  29           HA       PRO  29  14.479  11.993  10.793
   58   1HB   PRO  29          2HB       PRO  29  14.633  14.297   8.886
   59   2HB   PRO  29          1HB       PRO  29  13.221  13.375   9.414
   60   1HG   PRO  29          2HG       PRO  29  13.910  15.756  10.510
   61   2HG   PRO  29          1HG       PRO  29  13.078  14.478  11.413
   62   1HD   PRO  29          2HD       PRO  29  15.781  15.485  11.761
   63   2HD   PRO  29          1HD       PRO  29  14.875  14.346  12.771
   64    HA   PRO  30           HA       PRO  30  17.191  10.318   7.575
   65   1HB   PRO  30          2HB       PRO  30  15.860   7.813   7.941
   66   2HB   PRO  30          1HB       PRO  30  17.473   8.264   8.490
   67   1HG   PRO  30          2HG       PRO  30  15.335   7.733  10.150
   68   2HG   PRO  30          1HG       PRO  30  16.757   8.687  10.607
   69   1HD   PRO  30          2HD       PRO  30  14.050   9.613   9.726
   70   2HD   PRO  30          1HD       PRO  30  15.114  10.272  10.991
   71    HA   PRO  31           HA       PRO  31  14.046  10.642   4.359
   72   1HB   PRO  31          2HB       PRO  31  16.238   9.759   2.602
   73   2HB   PRO  31          1HB       PRO  31  15.318  11.263   2.568
   74   1HG   PRO  31          2HG       PRO  31  17.883  11.206   3.342
   75   2HG   PRO  31          1HG       PRO  31  16.709  12.311   4.082
   76   1HD   PRO  31          2HD       PRO  31  17.777   9.711   5.115
   77   2HD   PRO  31          1HD       PRO  31  17.488  11.233   5.985
   78    HA   PRO  32           HA       PRO  32  12.975   6.391   3.383
   79   1HB   PRO  32          2HB       PRO  32  12.189   6.512   0.798
   80   2HB   PRO  32          1HB       PRO  32  11.216   7.147   2.126
   81   1HG   PRO  32          2HG       PRO  32  13.014   8.606   0.230
   82   2HG   PRO  32          1HG       PRO  32  11.401   9.060   0.815
   83   1HD   PRO  32          2HD       PRO  32  13.670  10.125   1.835
   84   2HD   PRO  32          1HD       PRO  32  12.214   9.865   2.814
   85    H    GLU  33           H        GLU  33  15.608   6.588   3.416
   86    HA   GLU  33           HA       GLU  33  17.058   6.127   1.052
   87   1HB   GLU  33          2HB       GLU  33  17.736   5.157   3.834
   88   2HB   GLU  33          1HB       GLU  33  18.861   5.425   2.511
   89   1HG   GLU  33          2HG       GLU  33  17.205   7.623   3.712
   90   2HG   GLU  33          1HG       GLU  33  18.801   7.181   4.315
   91    H    ASN  34           H        ASN  34  15.353   3.958   3.211
   92    HA   ASN  34           HA       ASN  34  16.507   1.597   1.980
   93   1HB   ASN  34          2HB       ASN  34  14.381   1.846   4.121
   94   2HB   ASN  34          1HB       ASN  34  15.142   0.346   3.610
   95   1HD2  ASN  34          1HD2      ASN  34  17.786   1.496   3.343
   96   2HD2  ASN  34          2HD2      ASN  34  18.359   1.776   4.955
   97    HA   PRO  35           HA       PRO  35  13.418   1.016  -1.194
   98   1HB   PRO  35          2HB       PRO  35  13.519  -1.797  -0.911
   99   2HB   PRO  35          1HB       PRO  35  14.405  -0.815  -2.079
  100   1HG   PRO  35          2HG       PRO  35  15.291  -1.883   0.558
  101   2HG   PRO  35          1HG       PRO  35  16.222  -1.650  -0.935
  102   1HD   PRO  35          2HD       PRO  35  16.525   0.028   1.101
  103   2HD   PRO  35          1HD       PRO  35  16.456   0.643  -0.567
  104    H    MET  36           H        MET  36  13.331  -1.079   1.688
  105    HA   MET  36           HA       MET  36  10.438  -1.237   1.547
  106   1HB   MET  36          2HB       MET  36  12.420  -2.453   3.473
  107   2HB   MET  36          1HB       MET  36  10.680  -2.678   3.587
  108   1HG   MET  36          2HG       MET  36  10.687  -3.716   1.362
  109   2HG   MET  36          1HG       MET  36  12.440  -3.534   1.303
  110   1HE   MET  36          2HE       MET  36  10.991  -6.277   0.818
  111   2HE   MET  36          1HE       MET  36  12.750  -6.150   0.833
  112   3HE   MET  36          3HE       MET  36  11.950  -7.394   1.792
  113    H    SER  37           H        SER  37  10.288   1.128   1.811
  114    HA   SER  37           HA       SER  37  10.795   2.292   4.369
  115   1HB   SER  37          2HB       SER  37  10.618   3.615   2.256
  116   2HB   SER  37          1HB       SER  37   8.896   3.231   2.195
  117    HG   SER  37           HG       SER  37   8.784   5.042   3.285
  118    H    ALA  38           H        ALA  38   8.944   3.213   5.694
  119    HA   ALA  38           HA       ALA  38   7.550   0.983   6.715
  120   1HB   ALA  38          2HB       ALA  38   8.337   2.821   8.133
  121   2HB   ALA  38          1HB       ALA  38   7.179   3.907   7.360
  122   3HB   ALA  38          3HB       ALA  38   6.604   2.546   8.323
  123    H    ASP  39           H        ASP  39   6.560   3.807   4.835
  124    HA   ASP  39           HA       ASP  39   3.836   2.861   4.817
  125   1HB   ASP  39          2HB       ASP  39   4.735   5.361   4.792
  126   2HB   ASP  39          1HB       ASP  39   4.705   5.091   3.050
  127    H    ARG  40           H        ARG  40   6.652   2.828   2.837
  128    HA   ARG  40           HA       ARG  40   5.534   2.301   0.338
  129   1HB   ARG  40          2HB       ARG  40   7.953   2.830   0.837
  130   2HB   ARG  40          1HB       ARG  40   8.140   1.168   1.372
  131   1HG   ARG  40          2HG       ARG  40   7.138   1.795  -1.379
  132   2HG   ARG  40          1HG       ARG  40   8.863   1.801  -1.011
  133   1HD   ARG  40          2HD       ARG  40   8.707  -0.515  -0.240
  134   2HD   ARG  40          1HD       ARG  40   6.978  -0.520  -0.590
  135    HE   ARG  40           HE       ARG  40   8.497   0.193  -2.884
  136   1HH1  ARG  40          1HH1      ARG  40   7.581  -2.571  -0.935
  137   2HH1  ARG  40          2HH1      ARG  40   7.667  -3.692  -2.260
  138   1HH2  ARG  40          1HH2      ARG  40   8.645  -1.265  -4.610
  139   2HH2  ARG  40          2HH2      ARG  40   8.314  -2.957  -4.351
  140    H    VAL  41           H        VAL  41   6.499   0.134   2.960
  141    HA   VAL  41           HA       VAL  41   5.857  -2.297   1.723
  142    HB   VAL  41           HB       VAL  41   5.791  -1.556   4.657
  143   1HG1  VAL  41          1HG1      VAL  41   5.745  -4.287   3.378
  144   2HG1  VAL  41          3HG1      VAL  41   5.936  -3.968   5.101
  145   3HG1  VAL  41          2HG1      VAL  41   4.433  -3.536   4.286
  146   1HG2  VAL  41          2HG2      VAL  41   7.983  -1.305   3.590
  147   2HG2  VAL  41          1HG2      VAL  41   7.971  -2.629   4.754
  148   3HG2  VAL  41          3HG2      VAL  41   7.894  -2.973   3.027
  149    H    ARG  42           H        ARG  42   3.865   0.058   3.427
  150    HA   ARG  42           HA       ARG  42   1.570  -1.589   3.676
  151   1HB   ARG  42          2HB       ARG  42   1.740   1.427   3.575
  152   2HB   ARG  42          1HB       ARG  42   0.327   0.504   4.069
  153   1HG   ARG  42          2HG       ARG  42   1.877  -0.508   5.854
  154   2HG   ARG  42          1HG       ARG  42   2.939   0.856   5.483
  155   1HD   ARG  42          2HD       ARG  42   0.082   0.980   6.442
  156   2HD   ARG  42          1HD       ARG  42   1.526   1.438   7.343
  157    HE   ARG  42           HE       ARG  42   1.480   2.977   5.016
  158   1HH1  ARG  42          1HH1      ARG  42  -0.450   2.576   7.926
  159   2HH1  ARG  42          2HH1      ARG  42  -1.033   4.214   7.913
  160   1HH2  ARG  42          1HH2      ARG  42   0.715   5.119   5.005
  161   2HH2  ARG  42          2HH2      ARG  42  -0.382   5.650   6.248
  162    H    TRP  43           H        TRP  43   2.472   0.915   1.293
  163    HA   TRP  43           HA       TRP  43   0.140   0.765  -0.271
  164   1HB   TRP  43          2HB       TRP  43   2.441   2.259  -0.353
  165   2HB   TRP  43          1HB       TRP  43   2.651   1.229  -1.763
  166    HD1  TRP  43           HD1      TRP  43   2.157   4.420  -1.876
  167    HE1  TRP  43           HE1      TRP  43   0.216   5.323  -3.286
  168    HE3  TRP  43           HE3      TRP  43  -0.755   0.227  -2.041
  169    HZ2  TRP  43           HZ2      TRP  43  -2.244   4.412  -4.281
  170    HZ3  TRP  43           HZ3      TRP  43  -2.898   0.341  -3.224
  171    HH2  TRP  43           HH2      TRP  43  -3.626   2.385  -4.305
  172    H    GLU  44           H        GLU  44   3.124  -1.121  -0.347
  173    HA   GLU  44           HA       GLU  44   2.568  -2.567  -2.692
  174   1HB   GLU  44          2HB       GLU  44   4.794  -2.544  -1.693
  175   2HB   GLU  44          1HB       GLU  44   4.183  -3.387  -0.275
  176   1HG   GLU  44          2HG       GLU  44   3.617  -5.314  -1.711
  177   2HG   GLU  44          1HG       GLU  44   4.332  -4.465  -3.081
  178    H    HIS  45           H        HIS  45   1.327  -2.876   0.582
  179    HA   HIS  45           HA       HIS  45   0.523  -5.628   0.142
  180   1HB   HIS  45          2HB       HIS  45   1.290  -4.661   2.395
  181   2HB   HIS  45          1HB       HIS  45  -0.270  -3.855   2.459
  182    HD1  HIS  45           HD1      HIS  45   1.392  -6.861   3.443
  183    HD2  HIS  45           HD2      HIS  45  -2.505  -5.883   2.300
  184    HE1  HIS  45           HE1      HIS  45  -0.058  -8.714   4.319
  185    HE2  HIS  45           HE2      HIS  45  -2.413  -7.987   3.825
  186    H    ILE  46           H        ILE  46  -0.710  -2.389   0.137
  187    HA   ILE  46           HA       ILE  46  -3.462  -2.852   0.002
  188    HB   ILE  46           HB       ILE  46  -2.050  -0.668  -1.531
  189   1HG1  ILE  46          2HG1      ILE  46  -2.741  -0.750   1.406
  190   2HG1  ILE  46          1HG1      ILE  46  -1.131  -0.613   0.711
  191   1HG2  ILE  46          3HG2      ILE  46  -4.455  -0.939  -1.896
  192   2HG2  ILE  46          2HG2      ILE  46  -4.714  -0.772  -0.157
  193   3HG2  ILE  46          1HG2      ILE  46  -4.069   0.585  -1.087
  194   1HD1  ILE  46          2HD1      ILE  46  -1.970   1.535  -0.362
  195   2HD1  ILE  46          1HD1      ILE  46  -3.331   1.409   0.752
  196   3HD1  ILE  46          3HD1      ILE  46  -1.688   1.544   1.388
  197    H    GLN  47           H        GLN  47  -0.951  -2.996  -2.422
  198    HA   GLN  47           HA       GLN  47  -2.749  -3.019  -4.646
  199   1HB   GLN  47          2HB       GLN  47   0.204  -3.538  -4.374
  200   2HB   GLN  47          1HB       GLN  47  -0.639  -3.730  -5.905
  201   1HG   GLN  47          2HG       GLN  47  -0.549  -1.183  -4.297
  202   2HG   GLN  47          1HG       GLN  47   0.482  -1.549  -5.681
  203   1HE2  GLN  47          1HE2      GLN  47  -1.410   0.638  -5.372
  204   2HE2  GLN  47          2HE2      GLN  47  -2.567   0.465  -6.651
  205    H    ARG  48           H        ARG  48  -0.754  -5.467  -3.025
  206    HA   ARG  48           HA       ARG  48  -1.454  -7.596  -4.704
  207   1HB   ARG  48          2HB       ARG  48  -0.672  -9.056  -2.836
  208   2HB   ARG  48          1HB       ARG  48   0.470  -7.800  -3.300
  209   1HG   ARG  48          2HG       ARG  48   0.599  -7.604  -1.052
  210   2HG   ARG  48          1HG       ARG  48  -0.749  -6.501  -1.344
  211   1HD   ARG  48          2HD       ARG  48  -1.386  -7.899   0.460
  212   2HD   ARG  48          1HD       ARG  48  -2.289  -8.449  -0.955
  213    HE   ARG  48           HE       ARG  48   0.063  -9.805   0.219
  214   1HH1  ARG  48          1HH1      ARG  48  -2.803  -9.886  -1.826
  215   2HH1  ARG  48          2HH1      ARG  48  -2.763 -11.606  -2.015
  216   1HH2  ARG  48          1HH2      ARG  48   0.126 -12.054  -0.071
  217   2HH2  ARG  48          2HH2      ARG  48  -1.106 -12.848  -1.014
  218    H    ILE  49           H        ILE  49  -3.152  -6.220  -1.955
  219    HA   ILE  49           HA       ILE  49  -5.045  -8.411  -1.940
  220    HB   ILE  49           HB       ILE  49  -4.664  -7.503   0.205
  221   1HG1  ILE  49          2HG1      ILE  49  -6.881  -6.786   0.928
  222   2HG1  ILE  49          1HG1      ILE  49  -7.309  -6.382  -0.733
  223   1HG2  ILE  49          2HG2      ILE  49  -3.755  -5.368  -0.469
  224   2HG2  ILE  49          1HG2      ILE  49  -5.373  -4.813  -0.901
  225   3HG2  ILE  49          3HG2      ILE  49  -4.988  -5.178   0.780
  226   1HD1  ILE  49          3HD1      ILE  49  -6.537  -9.153   0.103
  227   2HD1  ILE  49          2HD1      ILE  49  -8.200  -8.564   0.156
  228   3HD1  ILE  49          1HD1      ILE  49  -7.334  -8.641  -1.381
  229    H    TYR  50           H        TYR  50  -4.947  -5.035  -2.987
  230    HA   TYR  50           HA       TYR  50  -7.626  -4.722  -3.687
  231   1HB   TYR  50          2HB       TYR  50  -5.711  -2.992  -3.594
  232   2HB   TYR  50          1HB       TYR  50  -5.361  -3.487  -5.244
  233    HD1  TYR  50           HD1      TYR  50  -6.327  -2.286  -6.955
  234    HD2  TYR  50           HD2      TYR  50  -8.251  -2.351  -3.162
  235    HE1  TYR  50           HE1      TYR  50  -7.992  -0.675  -7.778
  236    HE2  TYR  50           HE2      TYR  50  -9.923  -0.743  -3.974
  237    HH   TYR  50           HH       TYR  50 -10.260   0.872  -5.668
  238    H    GLU  51           H        GLU  51  -4.970  -6.240  -5.390
  239    HA   GLU  51           HA       GLU  51  -6.340  -6.628  -7.852
  240   1HB   GLU  51          2HB       GLU  51  -3.975  -8.074  -6.649
  241   2HB   GLU  51          1HB       GLU  51  -4.540  -8.294  -8.299
  242   1HG   GLU  51          2HG       GLU  51  -3.572  -5.685  -7.146
  243   2HG   GLU  51          1HG       GLU  51  -2.596  -6.791  -8.110
  244    H    MET  52           H        MET  52  -5.822  -8.711  -5.003
  245    HA   MET  52           HA       MET  52  -7.007 -10.974  -6.284
  246   1HB   MET  52          2HB       MET  52  -6.633 -12.176  -4.249
  247   2HB   MET  52          1HB       MET  52  -5.230 -11.167  -4.556
  248   1HG   MET  52          2HG       MET  52  -6.030  -9.558  -2.898
  249   2HG   MET  52          1HG       MET  52  -7.437 -10.572  -2.596
  250   1HE   MET  52          3HE       MET  52  -7.241 -13.081  -1.642
  251   2HE   MET  52          2HE       MET  52  -6.005 -13.497  -2.828
  252   3HE   MET  52          1HE       MET  52  -5.724 -13.809  -1.116
  253    H    CYS  53           H        CYS  53  -8.233  -8.486  -4.117
  254    HA   CYS  53           HA       CYS  53 -10.718  -9.956  -3.744
  255   1HB   CYS  53          2HB       CYS  53 -11.384  -8.059  -2.333
  256   2HB   CYS  53          1HB       CYS  53  -9.817  -8.701  -1.849
  257    HG   CYS  53           HG       CYS  53  -8.332  -6.617  -2.522
  258    H    ASP  54           H        ASP  54  -9.464  -8.274  -6.179
  259    HA   ASP  54           HA       ASP  54 -10.192  -7.103  -7.963
  260   1HB   ASP  54          2HB       ASP  54 -11.664  -9.142  -8.120
  261   2HB   ASP  54          1HB       ASP  54 -12.929  -8.207  -7.328
  262    H    ARG  55           H        ARG  55  -9.765  -5.393  -6.184
  263    HA   ARG  55           HA       ARG  55 -10.090  -3.195  -5.791
  264   1HB   ARG  55          2HB       ARG  55 -12.506  -3.557  -7.549
  265   2HB   ARG  55          1HB       ARG  55 -11.942  -2.004  -6.946
  266   1HG   ARG  55          2HG       ARG  55  -9.757  -2.447  -8.059
  267   2HG   ARG  55          1HG       ARG  55 -10.481  -3.884  -8.784
  268   1HD   ARG  55          2HD       ARG  55 -11.592  -1.108  -9.087
  269   2HD   ARG  55          1HD       ARG  55 -10.470  -1.842 -10.231
  270    HE   ARG  55           HE       ARG  55 -12.957  -3.279  -9.658
  271   1HH1  ARG  55          1HH1      ARG  55 -11.033  -1.321 -11.832
  272   2HH1  ARG  55          2HH1      ARG  55 -12.066  -1.589 -13.202
  273   1HH2  ARG  55          1HH2      ARG  55 -14.274  -3.720 -11.490
  274   2HH2  ARG  55          2HH2      ARG  55 -13.903  -2.968 -13.013
  275    H    ASN  56           H        ASN  56 -11.509  -5.417  -4.181
  276    HA   ASN  56           HA       ASN  56 -13.656  -3.969  -2.924
  277   1HB   ASN  56          2HB       ASN  56 -13.591  -6.456  -2.937
  278   2HB   ASN  56          1HB       ASN  56 -12.159  -6.405  -1.915
  279   1HD2  ASN  56          1HD2      ASN  56 -14.730  -7.636  -1.388
  280   2HD2  ASN  56          2HD2      ASN  56 -15.333  -6.901   0.065
  281    H    VAL  57           H        VAL  57 -13.063  -2.098  -2.038
  282    HA   VAL  57           HA       VAL  57 -10.528  -1.559  -0.924
  283    HB   VAL  57           HB       VAL  57 -13.104  -0.043  -0.489
  284   1HG1  VAL  57          3HG1      VAL  57 -10.232   0.836  -0.215
  285   2HG1  VAL  57          2HG1      VAL  57 -11.643   1.886  -0.082
  286   3HG1  VAL  57          1HG1      VAL  57 -11.385   0.602   1.098
  287   1HG2  VAL  57          3HG2      VAL  57 -12.611  -0.328  -2.864
  288   2HG2  VAL  57          2HG2      VAL  57 -12.393   1.351  -2.365
  289   3HG2  VAL  57          1HG2      VAL  57 -10.987   0.312  -2.609
  290    H    SER  58           H        SER  58 -13.469  -2.828   0.446
  291    HA   SER  58           HA       SER  58 -12.881  -2.231   3.162
  292   1HB   SER  58          2HB       SER  58 -14.677  -4.393   2.035
  293   2HB   SER  58          1HB       SER  58 -14.684  -3.796   3.697
  294    HG   SER  58           HG       SER  58 -14.899  -1.760   1.930
  295    H    GLU  59           H        GLU  59 -12.490  -5.194   1.198
  296    HA   GLU  59           HA       GLU  59 -11.256  -6.728   3.217
  297   1HB   GLU  59          2HB       GLU  59 -12.125  -7.675   1.068
  298   2HB   GLU  59          1HB       GLU  59 -10.777  -6.922   0.227
  299   1HG   GLU  59          2HG       GLU  59 -10.276  -9.236   0.563
  300   2HG   GLU  59          1HG       GLU  59  -9.213  -8.285   1.603
  301    H    THR  60           H        THR  60  -9.979  -4.554   0.771
  302    HA   THR  60           HA       THR  60  -7.264  -5.058   1.140
  303    HB   THR  60           HB       THR  60  -8.504  -2.408   0.366
  304    HG1  THR  60           HG1      THR  60  -9.304  -3.999  -1.026
  305   1HG2  THR  60          3HG2      THR  60  -6.077  -2.358   0.870
  306   2HG2  THR  60          2HG2      THR  60  -5.833  -3.639  -0.324
  307   3HG2  THR  60          1HG2      THR  60  -6.422  -2.057  -0.839
  308    H    ALA  61           H        ALA  61  -9.263  -2.466   2.583
  309    HA   ALA  61           HA       ALA  61  -7.221  -1.360   4.186
  310   1HB   ALA  61          3HB       ALA  61 -10.216  -1.382   4.626
  311   2HB   ALA  61          2HB       ALA  61  -9.063  -0.311   5.431
  312   3HB   ALA  61          1HB       ALA  61  -9.308  -0.195   3.687
  313    H    ARG  62           H        ARG  62  -9.451  -4.037   4.763
  314    HA   ARG  62           HA       ARG  62  -8.867  -4.204   7.570
  315   1HB   ARG  62          2HB       ARG  62 -11.000  -5.005   6.555
  316   2HB   ARG  62          1HB       ARG  62 -10.101  -6.281   5.750
  317   1HG   ARG  62          2HG       ARG  62 -11.242  -7.098   7.743
  318   2HG   ARG  62          1HG       ARG  62  -9.489  -7.236   7.900
  319   1HD   ARG  62          2HD       ARG  62 -10.391  -4.690   8.887
  320   2HD   ARG  62          1HD       ARG  62 -11.276  -6.002   9.670
  321    HE   ARG  62           HE       ARG  62  -8.645  -6.778   9.739
  322   1HH1  ARG  62          1HH1      ARG  62 -10.482  -4.032  10.913
  323   2HH1  ARG  62          2HH1      ARG  62  -9.414  -3.738  12.260
  324   1HH2  ARG  62          1HH2      ARG  62  -7.243  -6.393  11.495
  325   2HH2  ARG  62          2HH2      ARG  62  -7.575  -5.087  12.587
  326    H    ARG  63           H        ARG  63  -7.640  -5.572   4.634
  327    HA   ARG  63           HA       ARG  63  -5.975  -7.541   5.941
  328   1HB   ARG  63          2HB       ARG  63  -7.073  -7.756   3.671
  329   2HB   ARG  63          1HB       ARG  63  -5.903  -6.591   3.078
  330   1HG   ARG  63          2HG       ARG  63  -4.118  -8.079   3.365
  331   2HG   ARG  63          1HG       ARG  63  -5.079  -9.161   4.383
  332   1HD   ARG  63          2HD       ARG  63  -6.500  -9.714   2.507
  333   2HD   ARG  63          1HD       ARG  63  -5.636  -8.567   1.487
  334    HE   ARG  63           HE       ARG  63  -3.925 -10.072   1.259
  335   1HH1  ARG  63          1HH1      ARG  63  -6.220 -11.221   3.636
  336   2HH1  ARG  63          2HH1      ARG  63  -5.550 -12.825   3.694
  337   1HH2  ARG  63          1HH2      ARG  63  -3.060 -12.197   1.307
  338   2HH2  ARG  63          2HH2      ARG  63  -3.780 -13.397   2.341
  339    H    LEU  64           H        LEU  64  -5.803  -4.258   5.089
  340    HA   LEU  64           HA       LEU  64  -2.892  -4.126   5.295
  341   1HB   LEU  64          2HB       LEU  64  -5.058  -2.293   4.403
  342   2HB   LEU  64          1HB       LEU  64  -3.637  -1.552   5.106
  343    HG   LEU  64           HG       LEU  64  -3.574  -1.655   2.613
  344   1HD1  LEU  64          3HD1      LEU  64  -1.486  -3.262   4.094
  345   2HD1  LEU  64          2HD1      LEU  64  -1.288  -2.561   2.489
  346   3HD1  LEU  64          1HD1      LEU  64  -1.517  -1.511   3.888
  347   1HD2  LEU  64          2HD2      LEU  64  -3.511  -4.626   3.130
  348   2HD2  LEU  64          1HD2      LEU  64  -4.727  -3.726   2.225
  349   3HD2  LEU  64          3HD2      LEU  64  -3.084  -3.866   1.594
  350    H    ASN  65           H        ASN  65  -5.563  -4.123   7.262
  351    HA   ASN  65           HA       ASN  65  -6.043  -3.569   9.400
  352   1HB   ASN  65          2HB       ASN  65  -3.768  -4.622   9.783
  353   2HB   ASN  65          1HB       ASN  65  -3.098  -2.995   9.779
  354   1HD2  ASN  65          1HD2      ASN  65  -3.086  -4.956  11.880
  355   2HD2  ASN  65          2HD2      ASN  65  -3.888  -4.235  13.239
  356    H    MET  66           H        MET  66  -7.047  -1.751   8.213
  357    HA   MET  66           HA       MET  66  -6.370   0.770   9.443
  358   1HB   MET  66          2HB       MET  66  -5.653   1.958   7.604
  359   2HB   MET  66          1HB       MET  66  -4.963   0.386   7.231
  360   1HG   MET  66          2HG       MET  66  -7.505   0.314   6.137
  361   2HG   MET  66          1HG       MET  66  -6.899   1.932   5.782
  362   1HE   MET  66          1HE       MET  66  -4.867   2.480   4.318
  363   2HE   MET  66          3HE       MET  66  -3.816   1.606   5.446
  364   3HE   MET  66          2HE       MET  66  -3.722   1.262   3.712
  365    H    HIS  67           H        HIS  67  -7.857   2.492   8.518
  366    HA   HIS  67           HA       HIS  67 -10.553   1.471   8.604
  367   1HB   HIS  67          2HB       HIS  67  -9.212   3.787   9.384
  368   2HB   HIS  67          1HB       HIS  67 -10.247   4.314   8.058
  369    HD1  HIS  67           HD1      HIS  67 -10.358   2.972  11.550
  370    HD2  HIS  67           HD2      HIS  67 -12.985   4.320   8.630
  371    HE1  HIS  67           HE1      HIS  67 -12.581   3.226  12.701
  372    HE2  HIS  67           HE2      HIS  67 -14.190   3.825  10.859
  373    H    ARG  68           H        ARG  68 -12.143   1.907   6.944
  374    HA   ARG  68           HA       ARG  68 -11.302   1.295   4.361
  375   1HB   ARG  68          2HB       ARG  68 -13.646   1.130   5.456
  376   2HB   ARG  68          1HB       ARG  68 -13.863   2.783   4.906
  377   1HG   ARG  68          2HG       ARG  68 -13.111   0.564   3.029
  378   2HG   ARG  68          1HG       ARG  68 -14.786   0.925   3.439
  379   1HD   ARG  68          2HD       ARG  68 -12.844   2.911   2.267
  380   2HD   ARG  68          1HD       ARG  68 -14.004   1.977   1.326
  381    HE   ARG  68           HE       ARG  68 -15.194   3.502   3.459
  382   1HH1  ARG  68          1HH1      ARG  68 -14.242   3.461   0.092
  383   2HH1  ARG  68          2HH1      ARG  68 -15.225   4.827  -0.333
  384   1HH2  ARG  68          1HH2      ARG  68 -16.542   5.281   2.874
  385   2HH2  ARG  68          2HH2      ARG  68 -16.525   5.852   1.229
  386    H    ARG  69           H        ARG  69 -11.957   4.412   5.864
  387    HA   ARG  69           HA       ARG  69 -11.703   6.054   3.605
  388   1HB   ARG  69          2HB       ARG  69 -10.964   6.672   6.470
  389   2HB   ARG  69          1HB       ARG  69 -11.186   7.863   5.198
  390   1HG   ARG  69          2HG       ARG  69 -13.304   6.015   6.270
  391   2HG   ARG  69          1HG       ARG  69 -13.131   7.729   6.653
  392   1HD   ARG  69          2HD       ARG  69 -13.460   8.270   4.273
  393   2HD   ARG  69          1HD       ARG  69 -13.685   6.554   3.932
  394    HE   ARG  69           HE       ARG  69 -15.556   6.948   5.787
  395   1HH1  ARG  69          1HH1      ARG  69 -14.718   8.802   2.949
  396   2HH1  ARG  69          2HH1      ARG  69 -16.311   9.464   2.732
  397   1HH2  ARG  69          1HH2      ARG  69 -17.674   7.772   5.510
  398   2HH2  ARG  69          2HH2      ARG  69 -18.008   8.841   4.180
  399    H    THR  70           H        THR  70  -9.275   4.697   5.773
  400    HA   THR  70           HA       THR  70  -7.040   6.151   4.906
  401    HB   THR  70           HB       THR  70  -6.920   3.278   5.779
  402    HG1  THR  70           HG1      THR  70  -7.431   5.638   7.290
  403   1HG2  THR  70          3HG2      THR  70  -5.082   5.644   6.202
  404   2HG2  THR  70          2HG2      THR  70  -4.808   4.007   6.804
  405   3HG2  THR  70          1HG2      THR  70  -4.817   4.318   5.067
  406    H    LEU  71           H        LEU  71  -8.197   2.965   3.877
  407    HA   LEU  71           HA       LEU  71  -6.340   2.540   1.821
  408   1HB   LEU  71          2HB       LEU  71  -8.273   1.064   2.941
  409   2HB   LEU  71          1HB       LEU  71  -9.154   1.584   1.521
  410    HG   LEU  71           HG       LEU  71  -8.162  -0.613   1.198
  411   1HD1  LEU  71          1HD1      LEU  71  -8.420   0.809  -0.745
  412   2HD1  LEU  71          3HD1      LEU  71  -6.820   1.490  -0.476
  413   3HD1  LEU  71          2HD1      LEU  71  -6.993  -0.215  -0.893
  414   1HD2  LEU  71          1HD2      LEU  71  -6.228  -0.159   2.756
  415   2HD2  LEU  71          3HD2      LEU  71  -5.847  -1.050   1.282
  416   3HD2  LEU  71          2HD2      LEU  71  -5.450   0.668   1.405
  417    H    GLN  72           H        GLN  72  -9.537   4.050   1.824
  418    HA   GLN  72           HA       GLN  72  -9.784   4.509  -0.933
  419   1HB   GLN  72          2HB       GLN  72 -11.656   4.689   0.655
  420   2HB   GLN  72          1HB       GLN  72 -10.925   6.137   1.339
  421   1HG   GLN  72          2HG       GLN  72 -11.141   7.259  -0.823
  422   2HG   GLN  72          1HG       GLN  72 -11.893   5.809  -1.486
  423   1HE2  GLN  72          1HE2      GLN  72 -13.783   6.819  -1.983
  424   2HE2  GLN  72          2HE2      GLN  72 -14.922   7.337  -0.786
  425    H    ARG  73           H        ARG  73  -8.569   6.673   1.620
  426    HA   ARG  73           HA       ARG  73  -8.077   8.837  -0.100
  427   1HB   ARG  73          2HB       ARG  73  -8.161   8.925   2.408
  428   2HB   ARG  73          1HB       ARG  73  -6.558   8.202   2.433
  429   1HG   ARG  73          2HG       ARG  73  -6.500  10.646   2.711
  430   2HG   ARG  73          1HG       ARG  73  -5.634  10.109   1.270
  431   1HD   ARG  73          2HD       ARG  73  -7.021  12.098   0.833
  432   2HD   ARG  73          1HD       ARG  73  -7.517  10.705  -0.129
  433    HE   ARG  73           HE       ARG  73  -8.973  10.978   2.340
  434   1HH1  ARG  73          1HH1      ARG  73  -8.858  11.919  -1.045
  435   2HH1  ARG  73          2HH1      ARG  73 -10.551  12.312  -1.110
  436   1HH2  ARG  73          1HH2      ARG  73 -11.155  11.530   2.254
  437   2HH2  ARG  73          2HH2      ARG  73 -11.858  12.125   0.778
  438    H    ILE  74           H        ILE  74  -6.075   6.113   0.866
  439    HA   ILE  74           HA       ILE  74  -3.678   6.923  -0.347
  440    HB   ILE  74           HB       ILE  74  -4.783   4.189   0.278
  441   1HG1  ILE  74          2HG1      ILE  74  -2.542   5.718   1.597
  442   2HG1  ILE  74          1HG1      ILE  74  -4.218   5.845   2.117
  443   1HG2  ILE  74          2HG2      ILE  74  -3.145   4.081  -1.587
  444   2HG2  ILE  74          1HG2      ILE  74  -1.941   4.822  -0.527
  445   3HG2  ILE  74          3HG2      ILE  74  -2.622   3.238  -0.128
  446   1HD1  ILE  74          3HD1      ILE  74  -2.617   3.301   2.058
  447   2HD1  ILE  74          2HD1      ILE  74  -2.912   4.295   3.486
  448   3HD1  ILE  74          1HD1      ILE  74  -4.262   3.499   2.672
  449    H    LEU  75           H        LEU  75  -6.427   5.059  -1.605
  450    HA   LEU  75           HA       LEU  75  -5.356   4.691  -4.226
  451   1HB   LEU  75          2HB       LEU  75  -8.263   4.835  -3.407
  452   2HB   LEU  75          1HB       LEU  75  -7.628   4.123  -4.873
  453    HG   LEU  75           HG       LEU  75  -7.048   3.063  -2.112
  454   1HD1  LEU  75          2HD1      LEU  75  -9.459   2.976  -2.672
  455   2HD1  LEU  75          1HD1      LEU  75  -9.058   2.078  -4.138
  456   3HD1  LEU  75          3HD1      LEU  75  -8.722   1.374  -2.554
  457   1HD2  LEU  75          2HD2      LEU  75  -6.660   1.887  -4.866
  458   2HD2  LEU  75          1HD2      LEU  75  -5.384   2.463  -3.794
  459   3HD2  LEU  75          3HD2      LEU  75  -6.350   1.059  -3.342
  460    H    ALA  76           H        ALA  76  -7.322   7.125  -2.664
  461    HA   ALA  76           HA       ALA  76  -8.225   8.369  -5.058
  462   1HB   ALA  76          1HB       ALA  76  -9.402   9.852  -3.635
  463   2HB   ALA  76          3HB       ALA  76  -9.433   8.264  -2.852
  464   3HB   ALA  76          2HB       ALA  76  -8.324   9.514  -2.281
  465    H    LYS  77           H        LYS  77  -5.428   8.849  -3.029
  466    HA   LYS  77           HA       LYS  77  -4.901  11.453  -4.143
  467   1HB   LYS  77          2HB       LYS  77  -2.710  11.277  -2.957
  468   2HB   LYS  77          1HB       LYS  77  -4.124  11.147  -1.927
  469   1HG   LYS  77          2HG       LYS  77  -2.733   9.523  -1.087
  470   2HG   LYS  77          1HG       LYS  77  -3.778   8.602  -2.169
  471   1HD   LYS  77          2HD       LYS  77  -2.095   8.432  -3.807
  472   2HD   LYS  77          1HD       LYS  77  -1.117   9.688  -3.046
  473   1HE   LYS  77          2HE       LYS  77  -1.745   7.030  -1.778
  474   2HE   LYS  77          1HE       LYS  77  -0.270   7.370  -2.681
  475   1HZ   LYS  77          2HZ       LYS  77  -1.139   8.871  -0.264
  476   2HZ   LYS  77          1HZ       LYS  77  -0.007   7.607  -0.256
  477   3HZ   LYS  77          3HZ       LYS  77   0.330   9.041  -1.091
  478    H    ARG  78           H        ARG  78  -4.478   8.300  -5.271
  479    HA   ARG  78           HA       ARG  78  -2.356   9.210  -7.099
  480   1HB   ARG  78          2HB       ARG  78  -1.800   6.807  -7.432
  481   2HB   ARG  78          1HB       ARG  78  -1.552   7.365  -5.786
  482   1HG   ARG  78          2HG       ARG  78  -2.545   5.347  -5.409
  483   2HG   ARG  78          1HG       ARG  78  -3.961   6.397  -5.423
  484   1HD   ARG  78          2HD       ARG  78  -4.493   4.498  -6.737
  485   2HD   ARG  78          1HD       ARG  78  -4.227   5.836  -7.854
  486    HE   ARG  78           HE       ARG  78  -2.011   3.990  -7.303
  487   1HH1  ARG  78          1HH1      ARG  78  -4.418   5.240  -9.520
  488   2HH1  ARG  78          2HH1      ARG  78  -3.706   4.492 -10.923
  489   1HH2  ARG  78          1HH2      ARG  78  -1.083   2.991  -9.130
  490   2HH2  ARG  78          2HH2      ARG  78  -1.800   3.217 -10.696
  491    H    SER  79           H        SER  79  -5.540   8.937  -7.009
  492    HA   SER  79           HA       SER  79  -5.740   8.666  -9.890
  493   1HB   SER  79          2HB       SER  79  -7.229   6.870  -7.962
  494   2HB   SER  79          1HB       SER  79  -7.755   7.133  -9.623
  495    HG   SER  79           HG       SER  79  -5.608   6.429 -10.255
  496    HA   PRO  80           HA       PRO  80  -8.733  11.886  -9.225
  497   1HB   PRO  80          2HB       PRO  80 -10.172  11.776 -11.485
  498   2HB   PRO  80          1HB       PRO  80  -8.465  12.243 -11.511
  499   1HG   PRO  80          2HG       PRO  80  -9.704   9.575 -12.099
  500   2HG   PRO  80          1HG       PRO  80  -8.478  10.459 -13.029
  501   1HD   PRO  80          2HD       PRO  80  -7.860   8.453 -11.307
  502   2HD   PRO  80          1HD       PRO  80  -6.773   9.826 -11.611
  503    H    ARG  81           H        ARG  81  -9.372   9.193  -8.151
  504    HA   ARG  81           HA       ARG  81 -12.297   9.126  -8.461
  505   1HB   ARG  81          2HB       ARG  81 -11.166   7.097  -9.234
  506   2HB   ARG  81          1HB       ARG  81 -10.363   6.937  -7.677
  507   1HG   ARG  81          2HG       ARG  81 -12.593   6.677  -6.618
  508   2HG   ARG  81          1HG       ARG  81 -13.310   6.680  -8.231
  509   1HD   ARG  81          2HD       ARG  81 -12.981   4.406  -7.378
  510   2HD   ARG  81          1HD       ARG  81 -12.024   4.706  -8.829
  511    HE   ARG  81           HE       ARG  81 -10.629   5.174  -6.335
  512   1HH1  ARG  81          1HH1      ARG  81 -11.421   2.864  -8.852
  513   2HH1  ARG  81          2HH1      ARG  81 -10.068   1.832  -8.498
  514   1HH2  ARG  81          1HH2      ARG  81  -8.825   3.856  -5.911
  515   2HH2  ARG  81          2HH2      ARG  81  -8.577   2.407  -6.831

  No H/Q in entry =         515
  Start of MODEL    2
    1    H1   LEU  22          2H        LEU  22  24.603  -5.964   4.476
    2    H2   LEU  22          1H        LEU  22  23.433  -6.565   3.403
    3    H3   LEU  22          3H        LEU  22  25.076  -6.691   3.018
    4    HA   LEU  22           HA       LEU  22  24.181  -4.957   1.731
    5   1HB   LEU  22          2HB       LEU  22  23.015  -3.080   2.647
    6   2HB   LEU  22          1HB       LEU  22  22.214  -4.544   3.181
    7    HG   LEU  22           HG       LEU  22  24.178  -3.087   4.940
    8   1HD1  LEU  22          1HD1      LEU  22  21.202  -2.655   4.729
    9   2HD1  LEU  22          3HD1      LEU  22  22.253  -1.992   5.982
   10   3HD1  LEU  22          2HD1      LEU  22  22.461  -1.493   4.303
   11   1HD2  LEU  22          2HD2      LEU  22  21.893  -4.972   5.524
   12   2HD2  LEU  22          1HD2      LEU  22  23.611  -5.367   5.595
   13   3HD2  LEU  22          3HD2      LEU  22  22.928  -4.198   6.726
   14    H    ALA  23           H        ALA  23  24.894  -2.456   1.974
   15    HA   ALA  23           HA       ALA  23  27.696  -2.526   2.247
   16   1HB   ALA  23          1HB       ALA  23  25.888  -0.115   2.160
   17   2HB   ALA  23          2HB       ALA  23  26.504  -0.982   0.753
   18   3HB   ALA  23          3HB       ALA  23  27.620  -0.136   1.826
   19    H    LYS  24           H        LYS  24  29.074  -1.784   3.804
   20    HA   LYS  24           HA       LYS  24  27.977  -1.651   6.495
   21   1HB   LYS  24          2HB       LYS  24  30.844  -1.601   5.524
   22   2HB   LYS  24          1HB       LYS  24  30.344  -1.683   7.206
   23   1HG   LYS  24          2HG       LYS  24  29.789  -3.768   5.107
   24   2HG   LYS  24          1HG       LYS  24  31.033  -3.862   6.357
   25   1HD   LYS  24          2HD       LYS  24  29.157  -3.617   8.044
   26   2HD   LYS  24          1HD       LYS  24  28.043  -3.876   6.700
   27   1HE   LYS  24          2HE       LYS  24  28.427  -5.973   7.823
   28   2HE   LYS  24          1HE       LYS  24  29.170  -6.026   6.225
   29   1HZ   LYS  24          1HZ       LYS  24  30.609  -5.475   8.771
   30   2HZ   LYS  24          3HZ       LYS  24  30.613  -6.959   7.943
   31   3HZ   LYS  24          2HZ       LYS  24  31.315  -5.587   7.234
   32    H    GLY  25           H        GLY  25  27.828   0.126   7.719
   33   1HA   GLY  25          1HA       GLY  25  29.368   2.495   7.148
   34   2HA   GLY  25          2HA       GLY  25  28.212   2.291   8.455
   35    H    GLU  26           H        GLU  26  26.761   1.299   5.672
   36    HA   GLU  26           HA       GLU  26  25.807   3.968   4.941
   37   1HB   GLU  26          2HB       GLU  26  25.691   1.314   3.503
   38   2HB   GLU  26          1HB       GLU  26  24.869   2.763   2.931
   39   1HG   GLU  26          2HG       GLU  26  27.832   2.605   3.421
   40   2HG   GLU  26          1HG       GLU  26  27.073   2.315   1.857
   41    H    SER  27           H        SER  27  25.020   2.383   7.299
   42    HA   SER  27           HA       SER  27  23.176   2.338   8.608
   43   1HB   SER  27          2HB       SER  27  22.437   4.363   7.351
   44   2HB   SER  27          1HB       SER  27  21.604   3.305   6.212
   45    HG   SER  27           HG       SER  27  20.476   2.474   8.149
   46    H    LEU  28           H        LEU  28  22.569   0.419   9.205
   47    HA   LEU  28           HA       LEU  28  21.705  -1.603   7.345
   48   1HB   LEU  28          2HB       LEU  28  21.859  -1.516  10.361
   49   2HB   LEU  28          1HB       LEU  28  21.241  -2.899   9.482
   50    HG   LEU  28           HG       LEU  28  23.502  -3.003   8.314
   51   1HD1  LEU  28          2HD1      LEU  28  24.263  -1.140  10.562
   52   2HD1  LEU  28          1HD1      LEU  28  25.390  -1.991   9.506
   53   3HD1  LEU  28          3HD1      LEU  28  24.304  -0.774   8.838
   54   1HD2  LEU  28          2HD2      LEU  28  23.343  -3.468  11.286
   55   2HD2  LEU  28          1HD2      LEU  28  22.846  -4.584  10.017
   56   3HD2  LEU  28          3HD2      LEU  28  24.550  -4.168  10.205
   57    HA   PRO  29           HA       PRO  29  17.306  -1.386   6.977
   58   1HB   PRO  29          2HB       PRO  29  17.272  -3.479   9.121
   59   2HB   PRO  29          1HB       PRO  29  16.294  -3.365   7.651
   60   1HG   PRO  29          2HG       PRO  29  18.521  -4.906   7.811
   61   2HG   PRO  29          1HG       PRO  29  17.972  -4.147   6.310
   62   1HD   PRO  29          2HD       PRO  29  20.352  -3.570   7.868
   63   2HD   PRO  29          1HD       PRO  29  19.881  -2.946   6.276
   64    HA   PRO  30           HA       PRO  30  16.925   1.388  10.544
   65   1HB   PRO  30          2HB       PRO  30  14.993   2.827   8.899
   66   2HB   PRO  30          1HB       PRO  30  16.563   3.362   9.502
   67   1HG   PRO  30          2HG       PRO  30  16.103   2.864   6.880
   68   2HG   PRO  30          1HG       PRO  30  17.685   2.611   7.642
   69   1HD   PRO  30          2HD       PRO  30  15.563   0.602   6.971
   70   2HD   PRO  30          1HD       PRO  30  17.325   0.488   6.772
   71    HA   PRO  31           HA       PRO  31  13.134  -0.474  12.198
   72   1HB   PRO  31          2HB       PRO  31  14.049   1.234  14.452
   73   2HB   PRO  31          1HB       PRO  31  13.533  -0.457  14.451
   74   1HG   PRO  31          2HG       PRO  31  16.110   0.169  14.667
   75   2HG   PRO  31          1HG       PRO  31  15.595  -1.222  13.696
   76   1HD   PRO  31          2HD       PRO  31  16.464   1.496  12.803
   77   2HD   PRO  31          1HD       PRO  31  16.808  -0.091  12.082
   78    HA   PRO  32           HA       PRO  32  11.449   4.167  12.882
   79   1HB   PRO  32          2HB       PRO  32  13.437   5.410  11.037
   80   2HB   PRO  32          1HB       PRO  32  12.621   6.100  12.446
   81   1HG   PRO  32          2HG       PRO  32  15.166   5.357  12.596
   82   2HG   PRO  32          1HG       PRO  32  14.057   5.067  13.949
   83   1HD   PRO  32          2HD       PRO  32  15.122   3.150  11.926
   84   2HD   PRO  32          1HD       PRO  32  14.781   2.901  13.650
   85    H    GLU  33           H        GLU  33   9.700   3.989  11.658
   86    HA   GLU  33           HA       GLU  33   8.308   3.385   9.983
   87   1HB   GLU  33          2HB       GLU  33  10.566   4.468   8.293
   88   2HB   GLU  33          1HB       GLU  33   9.049   3.894   7.611
   89   1HG   GLU  33          2HG       GLU  33   7.872   5.584   9.019
   90   2HG   GLU  33          1HG       GLU  33   9.453   6.226   9.468
   91    H    ASN  34           H        ASN  34  10.336   2.571   7.472
   92    HA   ASN  34           HA       ASN  34  11.061  -0.074   8.380
   93   1HB   ASN  34          2HB       ASN  34   8.971   0.355   6.227
   94   2HB   ASN  34          1HB       ASN  34   9.884  -1.139   6.386
   95   1HD2  ASN  34          1HD2      ASN  34   9.482  -2.497   8.150
   96   2HD2  ASN  34          2HD2      ASN  34   8.035  -2.351   9.097
   97    HA   PRO  35           HA       PRO  35  14.385   0.494   5.422
   98   1HB   PRO  35          2HB       PRO  35  14.246  -2.126   4.382
   99   2HB   PRO  35          1HB       PRO  35  15.309  -1.559   5.671
  100   1HG   PRO  35          2HG       PRO  35  12.688  -2.956   5.857
  101   2HG   PRO  35          1HG       PRO  35  14.111  -3.085   6.908
  102   1HD   PRO  35          2HD       PRO  35  11.978  -1.718   7.714
  103   2HD   PRO  35          1HD       PRO  35  13.617  -1.096   8.019
  104    H    MET  36           H        MET  36  11.342  -1.022   4.578
  105    HA   MET  36           HA       MET  36  11.638  -0.322   1.749
  106   1HB   MET  36          2HB       MET  36  10.855  -2.611   2.508
  107   2HB   MET  36          1HB       MET  36   9.394  -1.840   3.102
  108   1HG   MET  36          2HG       MET  36   8.872  -2.772   1.004
  109   2HG   MET  36          1HG       MET  36   8.986  -1.029   0.768
  110   1HE   MET  36          3HE       MET  36  11.830  -3.710   1.163
  111   2HE   MET  36          2HE       MET  36  10.628  -4.518   0.158
  112   3HE   MET  36          1HE       MET  36  12.195  -4.078  -0.524
  113    H    SER  37           H        SER  37  11.067   1.539   4.123
  114    HA   SER  37           HA       SER  37   9.875   3.422   4.564
  115   1HB   SER  37          2HB       SER  37   9.885   3.968   2.198
  116   2HB   SER  37          1HB       SER  37   8.546   2.855   1.898
  117    HG   SER  37           HG       SER  37   8.537   5.399   3.058
  118    H    ALA  38           H        ALA  38   8.032   3.913   5.752
  119    HA   ALA  38           HA       ALA  38   6.427   1.668   6.508
  120   1HB   ALA  38          1HB       ALA  38   7.053   3.427   8.120
  121   2HB   ALA  38          3HB       ALA  38   6.066   4.580   7.217
  122   3HB   ALA  38          2HB       ALA  38   5.307   3.206   8.018
  123    H    ASP  39           H        ASP  39   6.108   4.422   4.410
  124    HA   ASP  39           HA       ASP  39   3.303   4.047   3.959
  125   1HB   ASP  39          2HB       ASP  39   4.484   6.262   3.697
  126   2HB   ASP  39          1HB       ASP  39   5.253   5.601   2.253
  127    H    ARG  40           H        ARG  40   6.302   3.386   2.213
  128    HA   ARG  40           HA       ARG  40   5.057   2.346  -0.079
  129   1HB   ARG  40          2HB       ARG  40   7.793   2.583   0.910
  130   2HB   ARG  40          1HB       ARG  40   7.524   1.181  -0.116
  131   1HG   ARG  40          2HG       ARG  40   6.815   4.007  -0.884
  132   2HG   ARG  40          1HG       ARG  40   8.308   3.185  -1.346
  133   1HD   ARG  40          2HD       ARG  40   5.493   2.373  -2.066
  134   2HD   ARG  40          1HD       ARG  40   6.714   3.035  -3.153
  135    HE   ARG  40           HE       ARG  40   7.994   0.889  -2.336
  136   1HH1  ARG  40          1HH1      ARG  40   4.631   1.215  -3.297
  137   2HH1  ARG  40          2HH1      ARG  40   4.477  -0.455  -3.751
  138   1HH2  ARG  40          1HH2      ARG  40   7.787  -1.296  -2.972
  139   2HH2  ARG  40          2HH2      ARG  40   6.268  -1.888  -3.577
  140    H    VAL  41           H        VAL  41   6.356   0.746   2.828
  141    HA   VAL  41           HA       VAL  41   5.896  -1.904   1.956
  142    HB   VAL  41           HB       VAL  41   7.222  -1.154   4.035
  143   1HG1  VAL  41          2HG1      VAL  41   4.446  -1.177   5.213
  144   2HG1  VAL  41          1HG1      VAL  41   5.942  -1.195   6.152
  145   3HG1  VAL  41          3HG1      VAL  41   5.560   0.190   5.131
  146   1HG2  VAL  41          3HG2      VAL  41   5.300  -3.465   4.248
  147   2HG2  VAL  41          2HG2      VAL  41   6.887  -3.488   3.479
  148   3HG2  VAL  41          1HG2      VAL  41   6.754  -3.252   5.222
  149    H    ARG  42           H        ARG  42   3.871   0.558   3.267
  150    HA   ARG  42           HA       ARG  42   1.659  -1.126   3.927
  151   1HB   ARG  42          2HB       ARG  42   2.236   1.111   4.951
  152   2HB   ARG  42          1HB       ARG  42   1.655   1.848   3.465
  153   1HG   ARG  42          2HG       ARG  42  -0.544   0.986   3.832
  154   2HG   ARG  42          1HG       ARG  42   0.019   0.065   5.230
  155   1HD   ARG  42          2HD       ARG  42  -1.139   2.158   5.852
  156   2HD   ARG  42          1HD       ARG  42   0.527   2.074   6.423
  157    HE   ARG  42           HE       ARG  42   0.379   3.393   3.914
  158   1HH1  ARG  42          1HH1      ARG  42  -0.209   3.859   7.335
  159   2HH1  ARG  42          2HH1      ARG  42   0.033   5.585   7.266
  160   1HH2  ARG  42          1HH2      ARG  42   0.741   5.657   3.828
  161   2HH2  ARG  42          2HH2      ARG  42   0.578   6.598   5.276
  162    H    TRP  43           H        TRP  43   2.415   1.174   1.340
  163    HA   TRP  43           HA       TRP  43   0.095   0.883  -0.192
  164   1HB   TRP  43          2HB       TRP  43   2.569   2.216  -0.422
  165   2HB   TRP  43          1HB       TRP  43   2.432   1.221  -1.868
  166    HD1  TRP  43           HD1      TRP  43   2.125   4.538  -1.515
  167    HE1  TRP  43           HE1      TRP  43   0.096   5.609  -2.661
  168    HE3  TRP  43           HE3      TRP  43  -0.815   0.402  -2.009
  169    HZ2  TRP  43           HZ2      TRP  43  -2.425   4.822  -3.617
  170    HZ3  TRP  43           HZ3      TRP  43  -3.033   0.651  -3.032
  171    HH2  TRP  43           HH2      TRP  43  -3.814   2.813  -3.805
  172    H    GLU  44           H        GLU  44   3.125  -0.938  -0.237
  173    HA   GLU  44           HA       GLU  44   2.595  -2.548  -2.462
  174   1HB   GLU  44          2HB       GLU  44   4.789  -2.288  -1.261
  175   2HB   GLU  44          1HB       GLU  44   4.159  -3.336   0.001
  176   1HG   GLU  44          2HG       GLU  44   5.586  -4.563  -1.521
  177   2HG   GLU  44          1HG       GLU  44   3.923  -5.149  -1.603
  178    H    HIS  45           H        HIS  45   1.255  -2.608   0.739
  179    HA   HIS  45           HA       HIS  45   0.459  -5.399   0.599
  180   1HB   HIS  45          2HB       HIS  45   1.087  -3.987   2.708
  181   2HB   HIS  45          1HB       HIS  45  -0.538  -3.334   2.563
  182    HD1  HIS  45           HD1      HIS  45   1.343  -6.063   3.975
  183    HD2  HIS  45           HD2      HIS  45  -2.607  -5.424   2.786
  184    HE1  HIS  45           HE1      HIS  45  -0.002  -7.847   5.127
  185    HE2  HIS  45           HE2      HIS  45  -2.389  -7.340   4.538
  186    H    ILE  46           H        ILE  46  -0.821  -2.171   0.348
  187    HA   ILE  46           HA       ILE  46  -3.542  -2.736  -0.020
  188    HB   ILE  46           HB       ILE  46  -2.098  -0.441  -1.342
  189   1HG1  ILE  46          2HG1      ILE  46  -2.939  -0.657   1.540
  190   2HG1  ILE  46          1HG1      ILE  46  -1.289  -0.529   0.954
  191   1HG2  ILE  46          3HG2      ILE  46  -4.475  -0.759  -1.818
  192   2HG2  ILE  46          2HG2      ILE  46  -4.805  -0.655  -0.079
  193   3HG2  ILE  46          1HG2      ILE  46  -4.145   0.744  -0.940
  194   1HD1  ILE  46          3HD1      ILE  46  -1.850   1.688   0.024
  195   2HD1  ILE  46          2HD1      ILE  46  -3.450   1.548   0.747
  196   3HD1  ILE  46          1HD1      ILE  46  -2.019   1.599   1.780
  197    H    GLN  47           H        GLN  47  -0.799  -3.004  -2.047
  198    HA   GLN  47           HA       GLN  47  -2.106  -2.726  -4.574
  199   1HB   GLN  47          2HB       GLN  47   0.589  -3.018  -3.600
  200   2HB   GLN  47          1HB       GLN  47   0.304  -4.208  -4.858
  201   1HG   GLN  47          2HG       GLN  47   1.174  -2.394  -5.998
  202   2HG   GLN  47          1HG       GLN  47  -0.562  -2.244  -6.249
  203   1HE2  GLN  47          1HE2      GLN  47  -1.635  -0.500  -5.433
  204   2HE2  GLN  47          2HE2      GLN  47  -0.837   0.835  -4.664
  205    H    ARG  48           H        ARG  48  -0.853  -5.360  -2.615
  206    HA   ARG  48           HA       ARG  48  -1.416  -7.356  -4.546
  207   1HB   ARG  48          2HB       ARG  48  -0.667  -8.943  -2.871
  208   2HB   ARG  48          1HB       ARG  48   0.430  -7.575  -2.958
  209   1HG   ARG  48          2HG       ARG  48   0.280  -7.985  -0.705
  210   2HG   ARG  48          1HG       ARG  48  -0.903  -6.694  -0.933
  211   1HD   ARG  48          2HD       ARG  48  -1.603  -8.714   0.471
  212   2HD   ARG  48          1HD       ARG  48  -2.702  -8.139  -0.788
  213    HE   ARG  48           HE       ARG  48  -1.801  -9.966  -2.210
  214   1HH1  ARG  48          1HH1      ARG  48  -1.541 -10.281   1.276
  215   2HH1  ARG  48          2HH1      ARG  48  -1.416 -12.019   1.224
  216   1HH2  ARG  48          1HH2      ARG  48  -1.667 -12.205  -2.277
  217   2HH2  ARG  48          2HH2      ARG  48  -1.506 -13.119  -0.800
  218    H    ILE  49           H        ILE  49  -3.200  -6.050  -1.838
  219    HA   ILE  49           HA       ILE  49  -5.046  -8.279  -1.810
  220    HB   ILE  49           HB       ILE  49  -4.600  -7.287   0.300
  221   1HG1  ILE  49          2HG1      ILE  49  -6.858  -6.620   1.060
  222   2HG1  ILE  49          1HG1      ILE  49  -7.366  -6.501  -0.622
  223   1HG2  ILE  49          1HG2      ILE  49  -3.879  -5.125  -0.439
  224   2HG2  ILE  49          3HG2      ILE  49  -5.539  -4.697  -0.856
  225   3HG2  ILE  49          2HG2      ILE  49  -5.100  -4.985   0.828
  226   1HD1  ILE  49          1HD1      ILE  49  -6.272  -9.024   0.556
  227   2HD1  ILE  49          3HD1      ILE  49  -7.983  -8.608   0.620
  228   3HD1  ILE  49          2HD1      ILE  49  -7.184  -8.817  -0.936
  229    H    TYR  50           H        TYR  50  -4.931  -5.044  -3.132
  230    HA   TYR  50           HA       TYR  50  -7.609  -4.620  -3.716
  231   1HB   TYR  50          2HB       TYR  50  -5.588  -3.064  -4.087
  232   2HB   TYR  50          1HB       TYR  50  -5.380  -3.901  -5.621
  233    HD1  TYR  50           HD1      TYR  50  -8.006  -2.140  -3.652
  234    HD2  TYR  50           HD2      TYR  50  -6.416  -3.020  -7.498
  235    HE1  TYR  50           HE1      TYR  50  -9.632  -0.603  -4.662
  236    HE2  TYR  50           HE2      TYR  50  -8.045  -1.492  -8.529
  237    HH   TYR  50           HH       TYR  50  -9.876   0.728  -6.710
  238    H    GLU  51           H        GLU  51  -5.163  -6.465  -5.427
  239    HA   GLU  51           HA       GLU  51  -6.824  -7.195  -7.626
  240   1HB   GLU  51          2HB       GLU  51  -4.286  -8.506  -6.663
  241   2HB   GLU  51          1HB       GLU  51  -4.992  -8.621  -8.270
  242   1HG   GLU  51          2HG       GLU  51  -4.632  -6.229  -8.607
  243   2HG   GLU  51          1HG       GLU  51  -3.921  -6.110  -7.000
  244    H    MET  52           H        MET  52  -6.183  -8.571  -4.475
  245    HA   MET  52           HA       MET  52  -6.821 -11.258  -4.933
  246   1HB   MET  52          2HB       MET  52  -7.254  -9.608  -2.444
  247   2HB   MET  52          1HB       MET  52  -7.388 -11.354  -2.506
  248   1HG   MET  52          2HG       MET  52  -4.891  -9.776  -3.072
  249   2HG   MET  52          1HG       MET  52  -5.272 -10.581  -1.546
  250   1HE   MET  52          2HE       MET  52  -5.509 -13.227  -1.293
  251   2HE   MET  52          1HE       MET  52  -6.681 -13.272  -2.612
  252   3HE   MET  52          3HE       MET  52  -5.293 -14.362  -2.626
  253    H    CYS  53           H        CYS  53  -8.915  -8.664  -3.698
  254    HA   CYS  53           HA       CYS  53 -11.206 -10.474  -3.965
  255   1HB   CYS  53          2HB       CYS  53 -10.781  -9.345  -1.786
  256   2HB   CYS  53          1HB       CYS  53 -11.045  -7.792  -2.573
  257    HG   CYS  53           HG       CYS  53 -13.727  -8.446  -3.280
  258    H    ASP  54           H        ASP  54  -9.689  -8.402  -5.881
  259    HA   ASP  54           HA       ASP  54 -10.184  -7.269  -7.765
  260   1HB   ASP  54          2HB       ASP  54 -11.628  -9.122  -8.373
  261   2HB   ASP  54          1HB       ASP  54 -12.941  -8.453  -7.409
  262    H    ARG  55           H        ARG  55  -9.782  -5.418  -6.415
  263    HA   ARG  55           HA       ARG  55 -10.130  -3.199  -6.236
  264   1HB   ARG  55          2HB       ARG  55 -12.519  -3.849  -7.923
  265   2HB   ARG  55          1HB       ARG  55 -11.989  -2.209  -7.547
  266   1HG   ARG  55          2HG       ARG  55  -9.994  -2.452  -8.725
  267   2HG   ARG  55          1HG       ARG  55 -10.116  -4.212  -8.743
  268   1HD   ARG  55          2HD       ARG  55 -10.636  -3.530 -10.904
  269   2HD   ARG  55          1HD       ARG  55 -12.179  -3.902 -10.146
  270    HE   ARG  55           HE       ARG  55 -11.225  -1.125 -10.296
  271   1HH1  ARG  55          1HH1      ARG  55 -13.597  -3.581 -11.080
  272   2HH1  ARG  55          2HH1      ARG  55 -14.730  -2.447 -11.749
  273   1HH2  ARG  55          1HH2      ARG  55 -12.722   0.364 -11.195
  274   2HH2  ARG  55          2HH2      ARG  55 -14.234  -0.219 -11.822
  275    H    ASN  56           H        ASN  56 -11.705  -5.245  -4.424
  276    HA   ASN  56           HA       ASN  56 -13.739  -3.501  -3.347
  277   1HB   ASN  56          2HB       ASN  56 -12.727  -6.218  -2.535
  278   2HB   ASN  56          1HB       ASN  56 -13.811  -5.298  -1.499
  279   1HD2  ASN  56          1HD2      ASN  56 -15.922  -4.907  -2.179
  280   2HD2  ASN  56          2HD2      ASN  56 -16.658  -5.822  -3.457
  281    H    VAL  57           H        VAL  57 -13.254  -1.827  -2.176
  282    HA   VAL  57           HA       VAL  57 -10.713  -1.350  -1.036
  283    HB   VAL  57           HB       VAL  57 -13.335   0.037  -0.435
  284   1HG1  VAL  57          2HG1      VAL  57 -11.618   0.508   1.241
  285   2HG1  VAL  57          1HG1      VAL  57 -10.499   0.983  -0.036
  286   3HG1  VAL  57          3HG1      VAL  57 -11.958   1.931   0.254
  287   1HG2  VAL  57          3HG2      VAL  57 -11.212   0.644  -2.490
  288   2HG2  VAL  57          2HG2      VAL  57 -12.859   0.099  -2.804
  289   3HG2  VAL  57          1HG2      VAL  57 -12.577   1.693  -2.105
  290    H    SER  58           H        SER  58 -13.726  -2.592   0.256
  291    HA   SER  58           HA       SER  58 -13.201  -2.350   2.989
  292   1HB   SER  58          2HB       SER  58 -14.792  -4.552   1.666
  293   2HB   SER  58          1HB       SER  58 -14.968  -3.957   3.318
  294    HG   SER  58           HG       SER  58 -15.996  -2.977   0.985
  295    H    GLU  59           H        GLU  59 -12.603  -5.116   0.805
  296    HA   GLU  59           HA       GLU  59 -11.449  -6.732   2.835
  297   1HB   GLU  59          2HB       GLU  59 -12.442  -7.645   0.734
  298   2HB   GLU  59          1HB       GLU  59 -11.096  -6.957  -0.165
  299   1HG   GLU  59          2HG       GLU  59 -10.632  -9.258   0.141
  300   2HG   GLU  59          1HG       GLU  59  -9.557  -8.375   1.228
  301    H    THR  60           H        THR  60 -10.164  -4.540   0.397
  302    HA   THR  60           HA       THR  60  -7.460  -5.040   0.713
  303    HB   THR  60           HB       THR  60  -8.689  -2.301   0.306
  304    HG1  THR  60           HG1      THR  60  -9.442  -3.627  -1.333
  305   1HG2  THR  60          1HG2      THR  60  -5.967  -3.428  -0.396
  306   2HG2  THR  60          3HG2      THR  60  -6.551  -1.819  -0.832
  307   3HG2  THR  60          2HG2      THR  60  -6.292  -2.232   0.870
  308    H    ALA  61           H        ALA  61  -9.454  -2.653   2.432
  309    HA   ALA  61           HA       ALA  61  -7.480  -1.695   4.145
  310   1HB   ALA  61          2HB       ALA  61 -10.456  -1.940   4.630
  311   2HB   ALA  61          1HB       ALA  61  -9.352  -0.896   5.529
  312   3HB   ALA  61          3HB       ALA  61  -9.639  -0.606   3.812
  313    H    ARG  62           H        ARG  62  -9.533  -4.543   4.420
  314    HA   ARG  62           HA       ARG  62  -8.991  -5.167   7.124
  315   1HB   ARG  62          2HB       ARG  62 -10.857  -6.106   5.769
  316   2HB   ARG  62          1HB       ARG  62  -9.685  -7.047   4.860
  317   1HG   ARG  62          2HG       ARG  62 -10.702  -8.459   6.488
  318   2HG   ARG  62          1HG       ARG  62  -9.029  -8.171   6.968
  319   1HD   ARG  62          2HD       ARG  62  -9.702  -6.586   8.626
  320   2HD   ARG  62          1HD       ARG  62 -11.366  -6.608   8.041
  321    HE   ARG  62           HE       ARG  62 -10.123  -9.024   9.191
  322   1HH1  ARG  62          1HH1      ARG  62 -12.647  -6.613   9.135
  323   2HH1  ARG  62          2HH1      ARG  62 -13.662  -7.449  10.273
  324   1HH2  ARG  62          1HH2      ARG  62 -11.460 -10.157  10.672
  325   2HH2  ARG  62          2HH2      ARG  62 -12.984  -9.465  11.141
  326    H    ARG  63           H        ARG  63  -7.286  -5.709   4.150
  327    HA   ARG  63           HA       ARG  63  -5.539  -7.757   5.092
  328   1HB   ARG  63          2HB       ARG  63  -6.213  -6.902   2.656
  329   2HB   ARG  63          1HB       ARG  63  -4.753  -5.950   2.863
  330   1HG   ARG  63          2HG       ARG  63  -4.035  -7.850   1.753
  331   2HG   ARG  63          1HG       ARG  63  -3.622  -8.174   3.440
  332   1HD   ARG  63          2HD       ARG  63  -5.365  -9.690   3.703
  333   2HD   ARG  63          1HD       ARG  63  -6.247  -9.048   2.318
  334    HE   ARG  63           HE       ARG  63  -4.314 -10.032   0.981
  335   1HH1  ARG  63          1HH1      ARG  63  -5.545 -11.395   3.966
  336   2HH1  ARG  63          2HH1      ARG  63  -5.106 -13.027   3.557
  337   1HH2  ARG  63          1HH2      ARG  63  -3.759 -12.192   0.427
  338   2HH2  ARG  63          2HH2      ARG  63  -4.113 -13.484   1.534
  339    H    LEU  64           H        LEU  64  -5.116  -4.277   4.475
  340    HA   LEU  64           HA       LEU  64  -2.451  -4.385   5.638
  341   1HB   LEU  64          2HB       LEU  64  -2.770  -1.730   5.043
  342   2HB   LEU  64          1HB       LEU  64  -2.033  -2.916   3.997
  343    HG   LEU  64           HG       LEU  64  -3.628  -1.444   2.792
  344   1HD1  LEU  64          2HD1      LEU  64  -4.246  -4.360   2.922
  345   2HD1  LEU  64          1HD1      LEU  64  -4.989  -3.258   1.766
  346   3HD1  LEU  64          3HD1      LEU  64  -3.244  -3.485   1.771
  347   1HD2  LEU  64          2HD2      LEU  64  -5.596  -2.605   4.730
  348   2HD2  LEU  64          1HD2      LEU  64  -5.178  -0.915   4.476
  349   3HD2  LEU  64          3HD2      LEU  64  -6.048  -1.803   3.227
  350    H    ASN  65           H        ASN  65  -5.254  -4.400   6.996
  351    HA   ASN  65           HA       ASN  65  -6.012  -3.960   9.090
  352   1HB   ASN  65          2HB       ASN  65  -3.533  -4.698   9.471
  353   2HB   ASN  65          1HB       ASN  65  -3.270  -3.003   9.865
  354   1HD2  ASN  65          1HD2      ASN  65  -4.236  -2.136  11.701
  355   2HD2  ASN  65          2HD2      ASN  65  -4.859  -3.140  12.971
  356    H    MET  66           H        MET  66  -6.354  -1.959   7.203
  357    HA   MET  66           HA       MET  66  -5.869   0.540   8.688
  358   1HB   MET  66          2HB       MET  66  -5.739  -0.165   5.816
  359   2HB   MET  66          1HB       MET  66  -6.407   1.413   6.208
  360   1HG   MET  66          2HG       MET  66  -4.429   2.198   7.047
  361   2HG   MET  66          1HG       MET  66  -3.828   0.584   7.437
  362   1HE   MET  66          1HE       MET  66  -4.951   2.806   4.348
  363   2HE   MET  66          3HE       MET  66  -4.208   1.881   3.035
  364   3HE   MET  66          2HE       MET  66  -5.504   1.163   3.988
  365    H    HIS  67           H        HIS  67  -7.409   2.235   8.287
  366    HA   HIS  67           HA       HIS  67 -10.111   1.294   8.647
  367   1HB   HIS  67          2HB       HIS  67  -8.902   3.195   9.898
  368   2HB   HIS  67          1HB       HIS  67  -9.168   4.154   8.450
  369    HD1  HIS  67           HD1      HIS  67 -11.089   2.406  11.189
  370    HD2  HIS  67           HD2      HIS  67 -11.655   5.289   8.249
  371    HE1  HIS  67           HE1      HIS  67 -13.362   3.390  11.637
  372    HE2  HIS  67           HE2      HIS  67 -13.735   5.051   9.772
  373    H    ARG  68           H        ARG  68 -11.899   2.057   7.281
  374    HA   ARG  68           HA       ARG  68 -11.444   1.529   4.588
  375   1HB   ARG  68          2HB       ARG  68 -13.660   1.793   6.140
  376   2HB   ARG  68          1HB       ARG  68 -13.776   3.238   5.145
  377   1HG   ARG  68          2HG       ARG  68 -15.000   1.613   3.999
  378   2HG   ARG  68          1HG       ARG  68 -13.451   1.694   3.152
  379   1HD   ARG  68          2HD       ARG  68 -14.103  -0.622   3.466
  380   2HD   ARG  68          1HD       ARG  68 -12.674  -0.264   4.435
  381    HE   ARG  68           HE       ARG  68 -15.151   0.058   5.868
  382   1HH1  ARG  68          1HH1      ARG  68 -12.663  -2.224   4.935
  383   2HH1  ARG  68          2HH1      ARG  68 -13.008  -3.330   6.226
  384   1HH2  ARG  68          1HH2      ARG  68 -15.608  -1.380   7.566
  385   2HH2  ARG  68          2HH2      ARG  68 -14.699  -2.855   7.727
  386    H    ARG  69           H        ARG  69 -11.953   4.697   6.146
  387    HA   ARG  69           HA       ARG  69 -11.680   6.234   3.803
  388   1HB   ARG  69          2HB       ARG  69 -11.188   6.981   6.684
  389   2HB   ARG  69          1HB       ARG  69 -11.193   8.136   5.358
  390   1HG   ARG  69          2HG       ARG  69 -13.530   7.363   4.843
  391   2HG   ARG  69          1HG       ARG  69 -13.485   6.487   6.373
  392   1HD   ARG  69          2HD       ARG  69 -12.972   8.616   7.523
  393   2HD   ARG  69          1HD       ARG  69 -13.148   9.453   5.983
  394    HE   ARG  69           HE       ARG  69 -15.437   7.867   6.787
  395   1HH1  ARG  69          1HH1      ARG  69 -13.919  11.023   6.803
  396   2HH1  ARG  69          2HH1      ARG  69 -15.390  11.880   7.156
  397   1HH2  ARG  69          1HH2      ARG  69 -17.375   8.981   7.291
  398   2HH2  ARG  69          2HH2      ARG  69 -17.359  10.718   7.434
  399    H    THR  70           H        THR  70  -9.297   4.924   6.011
  400    HA   THR  70           HA       THR  70  -7.025   6.347   5.190
  401    HB   THR  70           HB       THR  70  -6.996   3.446   5.994
  402    HG1  THR  70           HG1      THR  70  -6.667   4.769   8.163
  403   1HG2  THR  70          3HG2      THR  70  -5.067   5.729   6.441
  404   2HG2  THR  70          2HG2      THR  70  -4.860   4.082   7.037
  405   3HG2  THR  70          1HG2      THR  70  -4.857   4.401   5.300
  406    H    LEU  71           H        LEU  71  -8.339   3.258   4.056
  407    HA   LEU  71           HA       LEU  71  -6.473   2.792   2.008
  408   1HB   LEU  71          2HB       LEU  71  -8.477   1.365   3.040
  409   2HB   LEU  71          1HB       LEU  71  -9.343   2.014   1.665
  410    HG   LEU  71           HG       LEU  71  -8.499  -0.210   1.178
  411   1HD1  LEU  71          1HD1      LEU  71  -7.031   1.929  -0.358
  412   2HD1  LEU  71          3HD1      LEU  71  -7.238   0.256  -0.877
  413   3HD1  LEU  71          2HD1      LEU  71  -8.644   1.302  -0.698
  414   1HD2  LEU  71          1HD2      LEU  71  -6.596  -0.114   2.750
  415   2HD2  LEU  71          3HD2      LEU  71  -6.165  -0.746   1.165
  416   3HD2  LEU  71          2HD2      LEU  71  -5.737   0.910   1.600
  417    H    GLN  72           H        GLN  72  -9.563   4.495   2.032
  418    HA   GLN  72           HA       GLN  72  -9.868   4.848  -0.729
  419   1HB   GLN  72          2HB       GLN  72 -11.678   5.196   0.923
  420   2HB   GLN  72          1HB       GLN  72 -10.866   6.651   1.485
  421   1HG   GLN  72          2HG       GLN  72 -12.636   7.292   0.025
  422   2HG   GLN  72          1HG       GLN  72 -11.106   7.604  -0.795
  423   1HE2  GLN  72          1HE2      GLN  72 -11.926   7.519  -2.847
  424   2HE2  GLN  72          2HE2      GLN  72 -12.495   6.046  -3.576
  425    H    ARG  73           H        ARG  73  -8.434   7.055   1.681
  426    HA   ARG  73           HA       ARG  73  -7.882   9.127  -0.158
  427   1HB   ARG  73          2HB       ARG  73  -7.882   9.502   2.265
  428   2HB   ARG  73          1HB       ARG  73  -6.481   8.452   2.440
  429   1HG   ARG  73          2HG       ARG  73  -5.736  10.713   2.530
  430   2HG   ARG  73          1HG       ARG  73  -5.205  10.013   0.999
  431   1HD   ARG  73          2HD       ARG  73  -6.068  12.272   0.680
  432   2HD   ARG  73          1HD       ARG  73  -7.065  11.077  -0.151
  433    HE   ARG  73           HE       ARG  73  -8.097  11.614   2.437
  434   1HH1  ARG  73          1HH1      ARG  73  -7.859  12.970  -0.780
  435   2HH1  ARG  73          2HH1      ARG  73  -9.293  13.949  -0.607
  436   1HH2  ARG  73          1HH2      ARG  73  -9.988  12.880   2.667
  437   2HH2  ARG  73          2HH2      ARG  73 -10.515  13.871   1.336
  438    H    ILE  74           H        ILE  74  -5.847   6.561   1.152
  439    HA   ILE  74           HA       ILE  74  -3.483   7.152  -0.212
  440    HB   ILE  74           HB       ILE  74  -4.627   4.594   0.888
  441   1HG1  ILE  74          2HG1      ILE  74  -2.290   6.203   1.890
  442   2HG1  ILE  74          1HG1      ILE  74  -3.949   6.581   2.347
  443   1HG2  ILE  74          1HG2      ILE  74  -1.910   5.012  -0.344
  444   2HG2  ILE  74          3HG2      ILE  74  -2.301   3.680   0.744
  445   3HG2  ILE  74          2HG2      ILE  74  -3.143   3.823  -0.795
  446   1HD1  ILE  74          3HD1      ILE  74  -2.540   3.970   2.832
  447   2HD1  ILE  74          2HD1      ILE  74  -2.852   5.227   4.031
  448   3HD1  ILE  74          1HD1      ILE  74  -4.202   4.358   3.292
  449    H    LEU  75           H        LEU  75  -6.097   4.920  -1.029
  450    HA   LEU  75           HA       LEU  75  -5.037   3.905  -3.418
  451   1HB   LEU  75          2HB       LEU  75  -6.979   3.087  -1.951
  452   2HB   LEU  75          1HB       LEU  75  -7.963   4.250  -2.812
  453    HG   LEU  75           HG       LEU  75  -7.382   3.063  -4.933
  454   1HD1  LEU  75          1HD1      LEU  75  -6.178   1.073  -3.023
  455   2HD1  LEU  75          3HD1      LEU  75  -6.512   0.762  -4.728
  456   3HD1  LEU  75          2HD1      LEU  75  -5.331   1.989  -4.270
  457   1HD2  LEU  75          2HD2      LEU  75  -8.740   1.439  -2.786
  458   2HD2  LEU  75          1HD2      LEU  75  -9.496   2.683  -3.786
  459   3HD2  LEU  75          3HD2      LEU  75  -8.907   1.193  -4.526
  460    H    ALA  76           H        ALA  76  -7.022   6.726  -2.735
  461    HA   ALA  76           HA       ALA  76  -7.613   7.249  -5.513
  462   1HB   ALA  76          1HB       ALA  76  -8.868   9.124  -4.687
  463   2HB   ALA  76          3HB       ALA  76  -9.195   7.720  -3.667
  464   3HB   ALA  76          2HB       ALA  76  -8.104   8.987  -3.101
  465    H    LYS  77           H        LYS  77  -5.061   7.977  -3.407
  466    HA   LYS  77           HA       LYS  77  -4.500  10.622  -4.369
  467   1HB   LYS  77          2HB       LYS  77  -4.040   9.933  -2.052
  468   2HB   LYS  77          1HB       LYS  77  -2.870   8.760  -2.633
  469   1HG   LYS  77          2HG       LYS  77  -2.460  11.583  -3.421
  470   2HG   LYS  77          1HG       LYS  77  -2.183  11.157  -1.731
  471   1HD   LYS  77          2HD       LYS  77  -0.535   9.543  -2.324
  472   2HD   LYS  77          1HD       LYS  77  -0.943   9.657  -4.042
  473   1HE   LYS  77          2HE       LYS  77  -0.190  12.003  -4.036
  474   2HE   LYS  77          1HE       LYS  77   0.226  11.861  -2.331
  475   1HZ   LYS  77          3HZ       LYS  77   1.423  10.087  -4.370
  476   2HZ   LYS  77          2HZ       LYS  77   2.082  11.612  -4.018
  477   3HZ   LYS  77          1HZ       LYS  77   1.985  10.426  -2.805
  478    H    ARG  78           H        ARG  78  -3.803   7.520  -5.498
  479    HA   ARG  78           HA       ARG  78  -1.167   7.521  -6.225
  480   1HB   ARG  78          2HB       ARG  78  -3.487   6.327  -7.705
  481   2HB   ARG  78          1HB       ARG  78  -1.796   5.939  -8.015
  482   1HG   ARG  78          2HG       ARG  78  -1.582   5.235  -5.655
  483   2HG   ARG  78          1HG       ARG  78  -3.318   5.493  -5.465
  484   1HD   ARG  78          2HD       ARG  78  -2.010   3.594  -7.404
  485   2HD   ARG  78          1HD       ARG  78  -2.820   3.143  -5.905
  486    HE   ARG  78           HE       ARG  78  -4.657   4.589  -7.400
  487   1HH1  ARG  78          1HH1      ARG  78  -2.885   1.575  -7.744
  488   2HH1  ARG  78          2HH1      ARG  78  -4.116   0.824  -8.719
  489   1HH2  ARG  78          1HH2      ARG  78  -6.234   3.623  -8.708
  490   2HH2  ARG  78          2HH2      ARG  78  -6.008   1.995  -9.275
  491    H    SER  79           H        SER  79  -0.329   9.361  -6.967
  492    HA   SER  79           HA       SER  79  -0.387   9.737  -9.809
  493   1HB   SER  79          2HB       SER  79  -1.279  11.999  -7.986
  494   2HB   SER  79          1HB       SER  79  -0.864  12.190  -9.689
  495    HG   SER  79           HG       SER  79  -2.711  10.211  -9.172
  496    HA   PRO  80           HA       PRO  80   3.812  11.045  -8.849
  497   1HB   PRO  80          2HB       PRO  80   4.314  12.956 -10.692
  498   2HB   PRO  80          1HB       PRO  80   4.151  11.250 -11.135
  499   1HG   PRO  80          2HG       PRO  80   2.094  13.432 -11.255
  500   2HG   PRO  80          1HG       PRO  80   2.539  12.259 -12.513
  501   1HD   PRO  80          2HD       PRO  80   0.384  11.898 -10.961
  502   2HD   PRO  80          1HD       PRO  80   1.398  10.529 -11.464
  503    H    ARG  81           H        ARG  81   1.655  12.323  -7.392
  504    HA   ARG  81           HA       ARG  81   2.408  15.125  -7.123
  505   1HB   ARG  81          2HB       ARG  81   0.014  14.443  -7.272
  506   2HB   ARG  81          1HB       ARG  81   0.210  13.531  -5.784
  507   1HG   ARG  81          2HG       ARG  81   0.627  15.561  -4.547
  508   2HG   ARG  81          1HG       ARG  81   0.557  16.508  -6.039
  509   1HD   ARG  81          2HD       ARG  81  -1.768  15.725  -6.376
  510   2HD   ARG  81          1HD       ARG  81  -1.681  14.898  -4.823
  511    HE   ARG  81           HE       ARG  81  -1.096  17.394  -4.105
  512   1HH1  ARG  81          1HH1      ARG  81  -3.608  16.185  -6.235
  513   2HH1  ARG  81          2HH1      ARG  81  -4.732  17.445  -5.817
  514   1HH2  ARG  81          1HH2      ARG  81  -2.572  19.046  -3.570
  515   2HH2  ARG  81          2HH2      ARG  81  -4.147  19.061  -4.312

  No H/Q in entry =         515
  Start of MODEL    3
    1    H1   LEU  22          2H        LEU  22  -3.165  -3.730  23.423
    2    H2   LEU  22          1H        LEU  22  -3.420  -5.343  22.976
    3    H3   LEU  22          3H        LEU  22  -2.376  -4.363  22.069
    4    HA   LEU  22           HA       LEU  22  -4.406  -4.606  20.883
    5   1HB   LEU  22          2HB       LEU  22  -5.651  -5.016  23.122
    6   2HB   LEU  22          1HB       LEU  22  -5.829  -3.274  23.176
    7    HG   LEU  22           HG       LEU  22  -7.810  -4.538  22.291
    8   1HD1  LEU  22          1HD1      LEU  22  -7.541  -2.165  21.834
    9   2HD1  LEU  22          3HD1      LEU  22  -6.562  -2.539  20.415
   10   3HD1  LEU  22          2HD1      LEU  22  -8.265  -2.997  20.458
   11   1HD2  LEU  22          2HD2      LEU  22  -5.987  -5.005  19.940
   12   2HD2  LEU  22          1HD2      LEU  22  -6.628  -6.236  21.026
   13   3HD2  LEU  22          3HD2      LEU  22  -7.718  -5.329  19.980
   14    H    ALA  23           H        ALA  23  -3.506  -1.983  23.087
   15    HA   ALA  23           HA       ALA  23  -4.550   0.083  21.416
   16   1HB   ALA  23          3HB       ALA  23  -2.608   0.247  23.718
   17   2HB   ALA  23          2HB       ALA  23  -3.447   1.607  22.974
   18   3HB   ALA  23          1HB       ALA  23  -4.365   0.367  23.832
   19    H    LYS  24           H        LYS  24  -3.453   1.553  20.129
   20    HA   LYS  24           HA       LYS  24  -1.111   0.636  18.791
   21   1HB   LYS  24          2HB       LYS  24  -2.669   3.207  18.718
   22   2HB   LYS  24          1HB       LYS  24  -1.142   3.055  17.858
   23   1HG   LYS  24          2HG       LYS  24  -2.025   1.210  16.560
   24   2HG   LYS  24          1HG       LYS  24  -3.548   1.289  17.453
   25   1HD   LYS  24          2HD       LYS  24  -4.063   3.423  16.551
   26   2HD   LYS  24          1HD       LYS  24  -2.436   3.613  15.898
   27   1HE   LYS  24          2HE       LYS  24  -4.148   3.052  14.185
   28   2HE   LYS  24          1HE       LYS  24  -2.819   1.895  14.271
   29   1HZ   LYS  24          1HZ       LYS  24  -5.431   1.497  15.620
   30   2HZ   LYS  24          3HZ       LYS  24  -5.068   0.888  14.083
   31   3HZ   LYS  24          2HZ       LYS  24  -4.187   0.359  15.430
   32    H    GLY  25           H        GLY  25  -1.680   2.606  21.564
   33   1HA   GLY  25          1HA       GLY  25  -0.254   3.785  22.946
   34   2HA   GLY  25          2HA       GLY  25   0.948   3.766  21.665
   35    H    GLU  26           H        GLU  26   0.565   0.771  21.519
   36    HA   GLU  26           HA       GLU  26   1.518  -0.408  23.900
   37   1HB   GLU  26          2HB       GLU  26   0.492  -1.631  21.977
   38   2HB   GLU  26          1HB       GLU  26   1.939  -1.300  21.036
   39   1HG   GLU  26          2HG       GLU  26   2.039  -3.538  21.854
   40   2HG   GLU  26          1HG       GLU  26   3.253  -2.577  22.698
   41    H    SER  27           H        SER  27   3.104   0.782  20.995
   42    HA   SER  27           HA       SER  27   5.508   1.424  22.442
   43   1HB   SER  27          2HB       SER  27   5.647  -0.565  20.155
   44   2HB   SER  27          1HB       SER  27   7.017   0.091  21.052
   45    HG   SER  27           HG       SER  27   5.402  -0.907  22.854
   46    H    LEU  28           H        LEU  28   3.729   1.186  19.440
   47    HA   LEU  28           HA       LEU  28   3.497   2.517  17.636
   48   1HB   LEU  28          2HB       LEU  28   3.294   4.350  19.293
   49   2HB   LEU  28          1HB       LEU  28   5.032   4.574  19.231
   50    HG   LEU  28           HG       LEU  28   4.858   5.191  16.848
   51   1HD1  LEU  28          2HD1      LEU  28   2.852   3.926  16.285
   52   2HD1  LEU  28          1HD1      LEU  28   1.884   4.991  17.304
   53   3HD1  LEU  28          3HD1      LEU  28   2.669   5.628  15.860
   54   1HD2  LEU  28          1HD2      LEU  28   3.081   6.787  18.690
   55   2HD2  LEU  28          3HD2      LEU  28   4.833   6.928  18.555
   56   3HD2  LEU  28          2HD2      LEU  28   3.805   7.373  17.193
   57    HA   PRO  29           HA       PRO  29   6.889   0.609  15.479
   58   1HB   PRO  29          2HB       PRO  29   5.949   2.791  13.655
   59   2HB   PRO  29          1HB       PRO  29   6.414   1.132  13.261
   60   1HG   PRO  29          2HG       PRO  29   3.827   1.909  13.618
   61   2HG   PRO  29          1HG       PRO  29   4.410   0.267  13.939
   62   1HD   PRO  29          2HD       PRO  29   3.431   2.225  15.827
   63   2HD   PRO  29          1HD       PRO  29   3.933   0.549  16.125
   64    HA   PRO  30           HA       PRO  30   9.925   3.621  17.061
   65   1HB   PRO  30          2HB       PRO  30  11.977   1.853  16.210
   66   2HB   PRO  30          1HB       PRO  30  11.372   2.106  17.847
   67   1HG   PRO  30          2HG       PRO  30  10.732  -0.027  15.908
   68   2HG   PRO  30          1HG       PRO  30  10.671  -0.056  17.677
   69   1HD   PRO  30          2HD       PRO  30   8.450   0.016  16.150
   70   2HD   PRO  30          1HD       PRO  30   8.535   0.800  17.741
   71    HA   PRO  31           HA       PRO  31  11.968   4.196  12.792
   72   1HB   PRO  31          2HB       PRO  31  10.932   2.332  10.850
   73   2HB   PRO  31          1HB       PRO  31  12.595   2.519  11.408
   74   1HG   PRO  31          2HG       PRO  31  11.047   0.325  11.932
   75   2HG   PRO  31          1HG       PRO  31  12.398   0.854  12.950
   76   1HD   PRO  31          2HD       PRO  31   9.456   1.274  13.332
   77   2HD   PRO  31          1HD       PRO  31  10.705   0.877  14.531
   78    HA   PRO  32           HA       PRO  32   8.134   6.321  11.679
   79   1HB   PRO  32          2HB       PRO  32   9.366   8.536  10.695
   80   2HB   PRO  32          1HB       PRO  32   9.100   8.271  12.422
   81   1HG   PRO  32          2HG       PRO  32  11.572   7.820  10.794
   82   2HG   PRO  32          1HG       PRO  32  11.408   8.547  12.405
   83   1HD   PRO  32          2HD       PRO  32  12.205   5.989  12.049
   84   2HD   PRO  32          1HD       PRO  32  11.243   6.498  13.453
   85    H    GLU  33           H        GLU  33  11.001   5.856   9.725
   86    HA   GLU  33           HA       GLU  33   9.509   4.884   7.521
   87   1HB   GLU  33          2HB       GLU  33  10.356   6.599   5.880
   88   2HB   GLU  33          1HB       GLU  33   9.094   7.161   6.965
   89   1HG   GLU  33          2HG       GLU  33  10.401   8.905   7.352
   90   2HG   GLU  33          1HG       GLU  33  11.399   7.812   8.309
   91    H    ASN  34           H        ASN  34  10.860   3.907   5.956
   92    HA   ASN  34           HA       ASN  34  13.685   3.690   6.724
   93   1HB   ASN  34          2HB       ASN  34  13.483   1.204   6.244
   94   2HB   ASN  34          1HB       ASN  34  12.676   1.757   7.704
   95   1HD2  ASN  34          1HD2      ASN  34  11.363  -0.063   7.692
   96   2HD2  ASN  34          2HD2      ASN  34  10.030  -0.216   6.590
   97    HA   PRO  35           HA       PRO  35  15.053   3.595   2.427
   98   1HB   PRO  35          2HB       PRO  35  15.296   0.736   2.155
   99   2HB   PRO  35          1HB       PRO  35  16.575   1.942   2.292
  100   1HG   PRO  35          2HG       PRO  35  15.365   0.242   4.379
  101   2HG   PRO  35          1HG       PRO  35  16.962   1.009   4.333
  102   1HD   PRO  35          2HD       PRO  35  15.053   1.910   5.970
  103   2HD   PRO  35          1HD       PRO  35  16.150   3.032   5.139
  104    H    MET  36           H        MET  36  12.778   0.959   3.237
  105    HA   MET  36           HA       MET  36  11.749   0.895   0.540
  106   1HB   MET  36          2HB       MET  36  11.324  -0.669   3.015
  107   2HB   MET  36          1HB       MET  36   9.981  -0.613   1.884
  108   1HG   MET  36          2HG       MET  36  12.779  -1.493   1.231
  109   2HG   MET  36          1HG       MET  36  11.409  -2.557   1.538
  110   1HE   MET  36          2HE       MET  36   9.217  -2.591   0.001
  111   2HE   MET  36          1HE       MET  36   9.071  -0.836   0.084
  112   3HE   MET  36          3HE       MET  36   9.047  -1.650  -1.481
  113    H    SER  37           H        SER  37  11.243   2.994   3.002
  114    HA   SER  37           HA       SER  37   9.676   4.540   3.520
  115   1HB   SER  37          2HB       SER  37   8.329   3.682   0.944
  116   2HB   SER  37          1HB       SER  37   7.965   5.140   1.869
  117    HG   SER  37           HG       SER  37  10.360   4.491   0.488
  118    H    ALA  38           H        ALA  38   8.211   4.408   5.091
  119    HA   ALA  38           HA       ALA  38   6.957   1.988   5.779
  120   1HB   ALA  38          2HB       ALA  38   7.457   3.749   7.420
  121   2HB   ALA  38          1HB       ALA  38   6.242   4.784   6.668
  122   3HB   ALA  38          3HB       ALA  38   5.756   3.286   7.458
  123    H    ASP  39           H        ASP  39   6.043   4.693   3.834
  124    HA   ASP  39           HA       ASP  39   3.285   4.052   3.664
  125   1HB   ASP  39          2HB       ASP  39   4.298   6.333   3.206
  126   2HB   ASP  39          1HB       ASP  39   4.865   5.669   1.673
  127    H    ARG  40           H        ARG  40   6.131   3.452   1.641
  128    HA   ARG  40           HA       ARG  40   4.693   2.271  -0.478
  129   1HB   ARG  40          2HB       ARG  40   7.609   2.080   0.259
  130   2HB   ARG  40          1HB       ARG  40   6.928   1.344  -1.184
  131   1HG   ARG  40          2HG       ARG  40   6.183   3.583  -1.925
  132   2HG   ARG  40          1HG       ARG  40   6.989   4.279  -0.518
  133   1HD   ARG  40          2HD       ARG  40   8.443   4.478  -2.417
  134   2HD   ARG  40          1HD       ARG  40   9.120   3.282  -1.313
  135    HE   ARG  40           HE       ARG  40   7.516   2.413  -3.621
  136   1HH1  ARG  40          1HH1      ARG  40  10.572   2.497  -1.910
  137   2HH1  ARG  40          2HH1      ARG  40  11.305   1.270  -2.907
  138   1HH2  ARG  40          1HH2      ARG  40   8.476   0.843  -4.944
  139   2HH2  ARG  40          2HH2      ARG  40  10.118   0.338  -4.646
  140    H    VAL  41           H        VAL  41   6.238   1.000   2.419
  141    HA   VAL  41           HA       VAL  41   5.901  -1.739   1.952
  142    HB   VAL  41           HB       VAL  41   5.685  -0.248   4.577
  143   1HG1  VAL  41          3HG1      VAL  41   4.628  -2.442   4.743
  144   2HG1  VAL  41          2HG1      VAL  41   6.074  -3.201   4.078
  145   3HG1  VAL  41          1HG1      VAL  41   6.140  -2.404   5.650
  146   1HG2  VAL  41          3HG2      VAL  41   8.000  -1.695   3.293
  147   2HG2  VAL  41          2HG2      VAL  41   7.837   0.050   3.488
  148   3HG2  VAL  41          1HG2      VAL  41   8.005  -0.983   4.906
  149    H    ARG  42           H        ARG  42   3.635   0.662   3.255
  150    HA   ARG  42           HA       ARG  42   1.489  -1.147   3.661
  151   1HB   ARG  42          2HB       ARG  42   1.467   1.829   3.158
  152   2HB   ARG  42          1HB       ARG  42   0.060   0.888   3.629
  153   1HG   ARG  42          2HG       ARG  42   1.307   0.226   5.694
  154   2HG   ARG  42          1HG       ARG  42   2.545   1.401   5.236
  155   1HD   ARG  42          2HD       ARG  42  -0.367   1.957   5.758
  156   2HD   ARG  42          1HD       ARG  42   0.987   2.401   6.798
  157    HE   ARG  42           HE       ARG  42   1.267   3.486   4.173
  158   1HH1  ARG  42          1HH1      ARG  42  -0.384   3.964   7.222
  159   2HH1  ARG  42          2HH1      ARG  42  -0.588   5.675   6.987
  160   1HH2  ARG  42          1HH2      ARG  42   0.988   5.732   3.850
  161   2HH2  ARG  42          2HH2      ARG  42   0.190   6.671   5.085
  162    H    TRP  43           H        TRP  43   2.322   1.059   1.011
  163    HA   TRP  43           HA       TRP  43   0.106   0.640  -0.611
  164   1HB   TRP  43          2HB       TRP  43   2.615   1.952  -0.827
  165   2HB   TRP  43          1HB       TRP  43   2.423   0.954  -2.266
  166    HD1  TRP  43           HD1      TRP  43   2.165   4.294  -1.876
  167    HE1  TRP  43           HE1      TRP  43   0.147   5.401  -3.004
  168    HE3  TRP  43           HE3      TRP  43  -0.832   0.194  -2.379
  169    HZ2  TRP  43           HZ2      TRP  43  -2.393   4.656  -3.943
  170    HZ3  TRP  43           HZ3      TRP  43  -3.053   0.487  -3.381
  171    HH2  TRP  43           HH2      TRP  43  -3.812   2.667  -4.130
  172    H    GLU  44           H        GLU  44   3.148  -1.160  -0.464
  173    HA   GLU  44           HA       GLU  44   2.739  -2.924  -2.575
  174   1HB   GLU  44          2HB       GLU  44   4.859  -2.816  -1.410
  175   2HB   GLU  44          1HB       GLU  44   4.110  -3.367   0.083
  176   1HG   GLU  44          2HG       GLU  44   3.577  -5.510  -1.040
  177   2HG   GLU  44          1HG       GLU  44   4.483  -4.951  -2.446
  178    H    HIS  45           H        HIS  45   1.460  -2.951   0.701
  179    HA   HIS  45           HA       HIS  45   0.435  -5.636   0.502
  180   1HB   HIS  45          2HB       HIS  45   1.164  -4.293   2.633
  181   2HB   HIS  45          1HB       HIS  45  -0.450  -3.599   2.540
  182    HD1  HIS  45           HD1      HIS  45   1.315  -6.205   4.141
  183    HD2  HIS  45           HD2      HIS  45  -2.498  -5.867   2.480
  184    HE1  HIS  45           HE1      HIS  45  -0.029  -8.077   5.141
  185    HE2  HIS  45           HE2      HIS  45  -2.371  -7.705   4.313
  186    H    ILE  46           H        ILE  46  -0.706  -2.346   0.140
  187    HA   ILE  46           HA       ILE  46  -3.471  -2.852  -0.006
  188    HB   ILE  46           HB       ILE  46  -2.042  -0.658  -1.513
  189   1HG1  ILE  46          2HG1      ILE  46  -2.873  -0.723   1.386
  190   2HG1  ILE  46          1HG1      ILE  46  -1.224  -0.623   0.773
  191   1HG2  ILE  46          1HG2      ILE  46  -4.426  -0.945  -1.981
  192   2HG2  ILE  46          3HG2      ILE  46  -4.769  -0.781  -0.254
  193   3HG2  ILE  46          2HG2      ILE  46  -4.085   0.580  -1.155
  194   1HD1  ILE  46          1HD1      ILE  46  -1.841   1.535  -0.301
  195   2HD1  ILE  46          3HD1      ILE  46  -3.388   1.441   0.541
  196   3HD1  ILE  46          2HD1      ILE  46  -1.889   1.547   1.466
  197    H    GLN  47           H        GLN  47  -0.909  -3.050  -2.372
  198    HA   GLN  47           HA       GLN  47  -2.638  -3.109  -4.651
  199   1HB   GLN  47          2HB       GLN  47   0.274  -3.837  -4.312
  200   2HB   GLN  47          1HB       GLN  47  -0.564  -3.909  -5.853
  201   1HG   GLN  47          2HG       GLN  47  -0.128  -1.443  -4.182
  202   2HG   GLN  47          1HG       GLN  47   0.732  -1.876  -5.656
  203   1HE2  GLN  47          1HE2      GLN  47  -0.729   0.531  -5.193
  204   2HE2  GLN  47          2HE2      GLN  47  -2.036   0.569  -6.325
  205    H    ARG  48           H        ARG  48  -0.769  -5.526  -2.863
  206    HA   ARG  48           HA       ARG  48  -1.478  -7.708  -4.469
  207   1HB   ARG  48          2HB       ARG  48  -0.671  -9.108  -2.593
  208   2HB   ARG  48          1HB       ARG  48   0.448  -7.819  -3.014
  209   1HG   ARG  48          2HG       ARG  48   0.501  -7.706  -0.745
  210   2HG   ARG  48          1HG       ARG  48  -0.785  -6.549  -1.089
  211   1HD   ARG  48          2HD       ARG  48  -1.599  -7.888   0.657
  212   2HD   ARG  48          1HD       ARG  48  -2.399  -8.478  -0.799
  213    HE   ARG  48           HE       ARG  48  -0.289  -9.839   0.715
  214   1HH1  ARG  48          1HH1      ARG  48  -2.601  -9.925  -1.936
  215   2HH1  ARG  48          2HH1      ARG  48  -2.414 -11.631  -2.196
  216   1HH2  ARG  48          1HH2      ARG  48  -0.043 -12.052   0.354
  217   2HH2  ARG  48          2HH2      ARG  48  -0.954 -12.843  -0.899
  218    H    ILE  49           H        ILE  49  -3.182  -6.169  -1.817
  219    HA   ILE  49           HA       ILE  49  -5.094  -8.341  -1.718
  220    HB   ILE  49           HB       ILE  49  -4.723  -7.368   0.394
  221   1HG1  ILE  49          2HG1      ILE  49  -6.944  -6.605   1.078
  222   2HG1  ILE  49          1HG1      ILE  49  -7.367  -6.292  -0.601
  223   1HG2  ILE  49          3HG2      ILE  49  -3.800  -5.260  -0.325
  224   2HG2  ILE  49          2HG2      ILE  49  -5.408  -4.709  -0.790
  225   3HG2  ILE  49          1HG2      ILE  49  -5.047  -5.033   0.904
  226   1HD1  ILE  49          2HD1      ILE  49  -6.522  -9.026   0.210
  227   2HD1  ILE  49          1HD1      ILE  49  -8.159  -8.465   0.562
  228   3HD1  ILE  49          3HD1      ILE  49  -7.580  -8.517  -1.102
  229    H    TYR  50           H        TYR  50  -4.980  -5.011  -2.926
  230    HA   TYR  50           HA       TYR  50  -7.671  -4.755  -3.650
  231   1HB   TYR  50          2HB       TYR  50  -5.796  -2.980  -3.626
  232   2HB   TYR  50          1HB       TYR  50  -5.414  -3.553  -5.245
  233    HD1  TYR  50           HD1      TYR  50  -6.768  -2.935  -7.120
  234    HD2  TYR  50           HD2      TYR  50  -7.982  -1.913  -3.172
  235    HE1  TYR  50           HE1      TYR  50  -8.471  -1.414  -8.042
  236    HE2  TYR  50           HE2      TYR  50  -9.683  -0.392  -4.079
  237    HH   TYR  50           HH       TYR  50 -10.037   0.913  -6.215
  238    H    GLU  51           H        GLU  51  -4.968  -6.277  -5.279
  239    HA   GLU  51           HA       GLU  51  -6.335  -6.789  -7.724
  240   1HB   GLU  51          2HB       GLU  51  -3.890  -8.063  -6.491
  241   2HB   GLU  51          1HB       GLU  51  -4.471  -8.416  -8.112
  242   1HG   GLU  51          2HG       GLU  51  -3.607  -5.703  -7.131
  243   2HG   GLU  51          1HG       GLU  51  -2.618  -6.807  -8.085
  244    H    MET  52           H        MET  52  -5.839  -8.677  -4.744
  245    HA   MET  52           HA       MET  52  -6.920 -11.055  -5.931
  246   1HB   MET  52          2HB       MET  52  -6.584 -12.142  -3.823
  247   2HB   MET  52          1HB       MET  52  -5.179 -11.148  -4.162
  248   1HG   MET  52          2HG       MET  52  -6.128  -9.422  -2.641
  249   2HG   MET  52          1HG       MET  52  -7.397 -10.567  -2.219
  250   1HE   MET  52          2HE       MET  52  -5.772 -13.319  -2.278
  251   2HE   MET  52          1HE       MET  52  -5.314 -13.473  -0.581
  252   3HE   MET  52          3HE       MET  52  -6.930 -12.912  -1.011
  253    H    CYS  53           H        CYS  53  -8.215  -8.639  -3.622
  254    HA   CYS  53           HA       CYS  53 -10.732 -10.043  -3.459
  255   1HB   CYS  53          2HB       CYS  53 -11.465  -8.120  -2.119
  256   2HB   CYS  53          1HB       CYS  53  -9.915  -8.736  -1.555
  257    HG   CYS  53           HG       CYS  53  -8.390  -6.688  -2.535
  258    H    ASP  54           H        ASP  54  -9.309  -8.255  -5.789
  259    HA   ASP  54           HA       ASP  54  -9.960  -7.255  -7.697
  260   1HB   ASP  54          2HB       ASP  54 -11.349  -9.330  -7.883
  261   2HB   ASP  54          1HB       ASP  54 -12.693  -8.436  -7.181
  262    H    ARG  55           H        ARG  55  -9.646  -5.283  -6.444
  263    HA   ARG  55           HA       ARG  55 -10.164  -3.083  -6.310
  264   1HB   ARG  55          2HB       ARG  55 -12.660  -3.885  -7.791
  265   2HB   ARG  55          1HB       ARG  55 -12.055  -2.241  -7.602
  266   1HG   ARG  55          2HG       ARG  55 -10.025  -2.840  -8.811
  267   2HG   ARG  55          1HG       ARG  55 -10.618  -4.492  -8.996
  268   1HD   ARG  55          2HD       ARG  55 -12.550  -3.619 -10.242
  269   2HD   ARG  55          1HD       ARG  55 -11.878  -1.996 -10.094
  270    HE   ARG  55           HE       ARG  55  -9.886  -2.980 -11.329
  271   1HH1  ARG  55          1HH1      ARG  55 -13.149  -4.192 -11.769
  272   2HH1  ARG  55          2HH1      ARG  55 -12.883  -4.679 -13.417
  273   1HH2  ARG  55          1HH2      ARG  55  -9.536  -3.632 -13.487
  274   2HH2  ARG  55          2HH2      ARG  55 -10.827  -4.355 -14.389
  275    H    ASN  56           H        ASN  56 -11.343  -5.196  -4.374
  276    HA   ASN  56           HA       ASN  56 -13.614  -3.773  -3.267
  277   1HB   ASN  56          2HB       ASN  56 -13.453  -6.287  -3.268
  278   2HB   ASN  56          1HB       ASN  56 -12.135  -6.150  -2.111
  279   1HD2  ASN  56          1HD2      ASN  56 -14.597  -7.508  -1.745
  280   2HD2  ASN  56          2HD2      ASN  56 -15.433  -6.745  -0.431
  281    H    VAL  57           H        VAL  57 -12.965  -1.848  -2.462
  282    HA   VAL  57           HA       VAL  57 -10.505  -1.342  -1.196
  283    HB   VAL  57           HB       VAL  57 -11.855   0.443  -2.198
  284   1HG1  VAL  57          1HG1      VAL  57 -14.074  -0.341  -1.578
  285   2HG1  VAL  57          3HG1      VAL  57 -13.740   0.012   0.116
  286   3HG1  VAL  57          2HG1      VAL  57 -13.833   1.327  -1.057
  287   1HG2  VAL  57          2HG2      VAL  57 -11.373   0.838   0.754
  288   2HG2  VAL  57          1HG2      VAL  57 -10.197   1.066  -0.540
  289   3HG2  VAL  57          3HG2      VAL  57 -11.600   2.128  -0.428
  290    H    SER  58           H        SER  58 -13.531  -2.546   0.038
  291    HA   SER  58           HA       SER  58 -13.173  -1.870   2.751
  292   1HB   SER  58          2HB       SER  58 -14.779  -4.150   1.573
  293   2HB   SER  58          1HB       SER  58 -14.992  -3.436   3.173
  294    HG   SER  58           HG       SER  58 -16.464  -2.383   1.978
  295    H    GLU  59           H        GLU  59 -12.495  -4.919   0.978
  296    HA   GLU  59           HA       GLU  59 -11.405  -6.110   3.344
  297   1HB   GLU  59          2HB       GLU  59 -12.369  -7.592   1.662
  298   2HB   GLU  59          1HB       GLU  59 -11.234  -7.010   0.448
  299   1HG   GLU  59          2HG       GLU  59  -9.442  -8.157   1.364
  300   2HG   GLU  59          1HG       GLU  59 -10.207  -8.285   2.949
  301    H    THR  60           H        THR  60 -10.084  -4.481   0.539
  302    HA   THR  60           HA       THR  60  -7.389  -4.942   0.939
  303    HB   THR  60           HB       THR  60  -8.611  -2.290   0.132
  304    HG1  THR  60           HG1      THR  60  -9.407  -3.875  -1.251
  305   1HG2  THR  60          2HG2      THR  60  -6.207  -2.200   0.634
  306   2HG2  THR  60          1HG2      THR  60  -5.930  -3.541  -0.484
  307   3HG2  THR  60          3HG2      THR  60  -6.515  -1.989  -1.094
  308    H    ALA  61           H        ALA  61  -9.536  -2.633   2.484
  309    HA   ALA  61           HA       ALA  61  -7.695  -1.311   4.133
  310   1HB   ALA  61          1HB       ALA  61 -10.618  -1.949   4.561
  311   2HB   ALA  61          3HB       ALA  61  -9.690  -0.747   5.478
  312   3HB   ALA  61          2HB       ALA  61  -9.959  -0.518   3.746
  313    H    ARG  62           H        ARG  62  -9.808  -4.102   4.833
  314    HA   ARG  62           HA       ARG  62  -9.058  -4.428   7.523
  315   1HB   ARG  62          2HB       ARG  62 -11.068  -5.463   6.727
  316   2HB   ARG  62          1HB       ARG  62 -10.191  -6.365   5.502
  317   1HG   ARG  62          2HG       ARG  62 -10.838  -7.835   7.291
  318   2HG   ARG  62          1HG       ARG  62  -9.084  -7.662   7.272
  319   1HD   ARG  62          2HD       ARG  62  -9.253  -6.009   9.090
  320   2HD   ARG  62          1HD       ARG  62 -11.000  -6.249   9.126
  321    HE   ARG  62           HE       ARG  62  -9.560  -8.704   9.427
  322   1HH1  ARG  62          1HH1      ARG  62 -10.738  -5.881  11.154
  323   2HH1  ARG  62          2HH1      ARG  62 -10.742  -6.686  12.696
  324   1HH2  ARG  62          1HH2      ARG  62  -9.575  -9.750  11.454
  325   2HH2  ARG  62          2HH2      ARG  62 -10.101  -8.878  12.865
  326    H    ARG  63           H        ARG  63  -7.814  -5.807   4.552
  327    HA   ARG  63           HA       ARG  63  -5.952  -7.578   5.793
  328   1HB   ARG  63          2HB       ARG  63  -7.013  -7.727   3.479
  329   2HB   ARG  63          1HB       ARG  63  -5.860  -6.501   2.981
  330   1HG   ARG  63          2HG       ARG  63  -4.217  -7.986   2.781
  331   2HG   ARG  63          1HG       ARG  63  -4.613  -8.767   4.318
  332   1HD   ARG  63          2HD       ARG  63  -6.237 -10.132   3.337
  333   2HD   ARG  63          1HD       ARG  63  -6.343  -9.117   1.904
  334    HE   ARG  63           HE       ARG  63  -4.310 -10.052   1.128
  335   1HH1  ARG  63          1HH1      ARG  63  -5.523 -11.534   4.047
  336   2HH1  ARG  63          2HH1      ARG  63  -4.709 -13.048   3.786
  337   1HH2  ARG  63          1HH2      ARG  63  -3.196 -12.043   0.781
  338   2HH2  ARG  63          2HH2      ARG  63  -3.374 -13.339   1.927
  339    H    LEU  64           H        LEU  64  -5.995  -4.248   5.073
  340    HA   LEU  64           HA       LEU  64  -3.098  -3.941   5.193
  341   1HB   LEU  64          2HB       LEU  64  -5.398  -2.280   4.380
  342   2HB   LEU  64          1HB       LEU  64  -4.091  -1.411   5.157
  343    HG   LEU  64           HG       LEU  64  -4.023  -1.480   2.624
  344   1HD1  LEU  64          1HD1      LEU  64  -2.067  -0.936   4.013
  345   2HD1  LEU  64          3HD1      LEU  64  -1.671  -2.650   4.137
  346   3HD1  LEU  64          2HD1      LEU  64  -1.600  -1.838   2.573
  347   1HD2  LEU  64          3HD2      LEU  64  -3.299  -4.363   3.175
  348   2HD2  LEU  64          2HD2      LEU  64  -4.710  -3.781   2.292
  349   3HD2  LEU  64          1HD2      LEU  64  -3.094  -3.539   1.631
  350    H    ASN  65           H        ASN  65  -5.498  -4.339   7.378
  351    HA   ASN  65           HA       ASN  65  -5.793  -3.918   9.598
  352   1HB   ASN  65          2HB       ASN  65  -2.957  -2.837   9.552
  353   2HB   ASN  65          1HB       ASN  65  -3.868  -3.314  10.978
  354   1HD2  ASN  65          1HD2      ASN  65  -4.977  -5.671   9.526
  355   2HD2  ASN  65          2HD2      ASN  65  -3.690  -6.820   9.501
  356    H    MET  66           H        MET  66  -6.416  -2.011   7.541
  357    HA   MET  66           HA       MET  66  -6.098   0.568   8.937
  358   1HB   MET  66          2HB       MET  66  -5.728  -0.220   6.092
  359   2HB   MET  66          1HB       MET  66  -6.440   1.355   6.410
  360   1HG   MET  66          2HG       MET  66  -4.539   2.184   7.349
  361   2HG   MET  66          1HG       MET  66  -3.945   0.595   7.827
  362   1HE   MET  66          2HE       MET  66  -4.922   2.677   4.628
  363   2HE   MET  66          1HE       MET  66  -4.045   1.775   3.386
  364   3HE   MET  66          3HE       MET  66  -5.371   1.009   4.259
  365    H    HIS  67           H        HIS  67  -7.716   2.078   8.666
  366    HA   HIS  67           HA       HIS  67 -10.370   1.032   8.589
  367   1HB   HIS  67          2HB       HIS  67  -9.456   2.995   9.960
  368   2HB   HIS  67          1HB       HIS  67  -9.558   3.934   8.477
  369    HD1  HIS  67           HD1      HIS  67 -11.880   1.816  10.624
  370    HD2  HIS  67           HD2      HIS  67 -11.942   5.195   8.198
  371    HE1  HIS  67           HE1      HIS  67 -14.213   2.743  10.802
  372    HE2  HIS  67           HE2      HIS  67 -14.166   4.893   9.488
  373    H    ARG  68           H        ARG  68 -12.018   1.707   7.047
  374    HA   ARG  68           HA       ARG  68 -11.300   1.178   4.425
  375   1HB   ARG  68          2HB       ARG  68 -13.619   1.158   5.651
  376   2HB   ARG  68          1HB       ARG  68 -13.751   2.795   5.022
  377   1HG   ARG  68          2HG       ARG  68 -13.158   0.439   3.255
  378   2HG   ARG  68          1HG       ARG  68 -14.800   0.938   3.654
  379   1HD   ARG  68          2HD       ARG  68 -12.748   2.748   2.395
  380   2HD   ARG  68          1HD       ARG  68 -13.935   1.819   1.482
  381    HE   ARG  68           HE       ARG  68 -14.559   4.012   3.359
  382   1HH1  ARG  68          1HH1      ARG  68 -15.407   1.915   0.697
  383   2HH1  ARG  68          2HH1      ARG  68 -16.847   2.786   0.276
  384   1HH2  ARG  68          1HH2      ARG  68 -16.458   5.185   2.819
  385   2HH2  ARG  68          2HH2      ARG  68 -17.454   4.644   1.509
  386    H    ARG  69           H        ARG  69 -11.834   4.314   5.982
  387    HA   ARG  69           HA       ARG  69 -11.599   5.863   3.628
  388   1HB   ARG  69          2HB       ARG  69 -12.615   6.538   5.849
  389   2HB   ARG  69          1HB       ARG  69 -10.965   6.833   6.388
  390   1HG   ARG  69          2HG       ARG  69 -10.639   8.552   4.836
  391   2HG   ARG  69          1HG       ARG  69 -12.055   8.080   3.890
  392   1HD   ARG  69          2HD       ARG  69 -12.043   9.253   6.654
  393   2HD   ARG  69          1HD       ARG  69 -12.550  10.052   5.169
  394    HE   ARG  69           HE       ARG  69 -14.183   7.954   5.198
  395   1HH1  ARG  69          1HH1      ARG  69 -13.316  10.204   7.735
  396   2HH1  ARG  69          2HH1      ARG  69 -14.840  10.058   8.561
  397   1HH2  ARG  69          1HH2      ARG  69 -16.178   7.735   6.279
  398   2HH2  ARG  69          2HH2      ARG  69 -16.471   8.644   7.736
  399    H    THR  70           H        THR  70  -9.260   4.692   5.977
  400    HA   THR  70           HA       THR  70  -7.028   6.193   5.199
  401    HB   THR  70           HB       THR  70  -6.902   3.314   6.078
  402    HG1  THR  70           HG1      THR  70  -7.393   5.673   7.622
  403   1HG2  THR  70          3HG2      THR  70  -4.790   4.367   5.427
  404   2HG2  THR  70          2HG2      THR  70  -5.098   5.691   6.551
  405   3HG2  THR  70          1HG2      THR  70  -4.832   4.059   7.165
  406    H    LEU  71           H        LEU  71  -8.163   3.029   4.114
  407    HA   LEU  71           HA       LEU  71  -6.220   2.550   2.142
  408   1HB   LEU  71          2HB       LEU  71  -8.155   1.101   3.247
  409   2HB   LEU  71          1HB       LEU  71  -9.049   1.617   1.836
  410    HG   LEU  71           HG       LEU  71  -8.137  -0.581   1.483
  411   1HD1  LEU  71          2HD1      LEU  71  -6.655   1.480  -0.128
  412   2HD1  LEU  71          1HD1      LEU  71  -6.880  -0.211  -0.575
  413   3HD1  LEU  71          3HD1      LEU  71  -8.275   0.863  -0.455
  414   1HD2  LEU  71          3HD2      LEU  71  -6.254  -0.386   3.067
  415   2HD2  LEU  71          2HD2      LEU  71  -5.777  -1.061   1.510
  416   3HD2  LEU  71          1HD2      LEU  71  -5.407   0.621   1.895
  417    H    GLN  72           H        GLN  72  -9.366   4.116   2.041
  418    HA   GLN  72           HA       GLN  72  -9.571   4.461  -0.760
  419   1HB   GLN  72          2HB       GLN  72 -11.475   4.549   0.817
  420   2HB   GLN  72          1HB       GLN  72 -10.850   6.061   1.458
  421   1HG   GLN  72          2HG       GLN  72 -11.163   7.122  -0.711
  422   2HG   GLN  72          1HG       GLN  72 -11.770   5.601  -1.370
  423   1HE2  GLN  72          1HE2      GLN  72 -13.769   6.478  -1.880
  424   2HE2  GLN  72          2HE2      GLN  72 -14.935   6.894  -0.674
  425    H    ARG  73           H        ARG  73  -8.469   6.670   1.795
  426    HA   ARG  73           HA       ARG  73  -7.972   8.852   0.094
  427   1HB   ARG  73          2HB       ARG  73  -8.111   9.015   2.565
  428   2HB   ARG  73          1HB       ARG  73  -6.584   8.153   2.692
  429   1HG   ARG  73          2HG       ARG  73  -6.634  10.603   1.029
  430   2HG   ARG  73          1HG       ARG  73  -6.738  10.797   2.779
  431   1HD   ARG  73          2HD       ARG  73  -4.652   9.737   3.118
  432   2HD   ARG  73          1HD       ARG  73  -4.614   9.120   1.467
  433    HE   ARG  73           HE       ARG  73  -4.686  11.828   1.172
  434   1HH1  ARG  73          1HH1      ARG  73  -2.619   9.670   3.008
  435   2HH1  ARG  73          2HH1      ARG  73  -1.181  10.608   2.725
  436   1HH2  ARG  73          1HH2      ARG  73  -2.810  13.065   0.816
  437   2HH2  ARG  73          2HH2      ARG  73  -1.293  12.553   1.508
  438    H    ILE  74           H        ILE  74  -6.045   6.070   0.991
  439    HA   ILE  74           HA       ILE  74  -3.624   6.928  -0.212
  440    HB   ILE  74           HB       ILE  74  -4.666   4.227   0.602
  441   1HG1  ILE  74          2HG1      ILE  74  -2.372   5.862   1.695
  442   2HG1  ILE  74          1HG1      ILE  74  -4.022   6.000   2.294
  443   1HG2  ILE  74          1HG2      ILE  74  -3.125   4.036  -1.355
  444   2HG2  ILE  74          3HG2      ILE  74  -1.863   4.781  -0.368
  445   3HG2  ILE  74          2HG2      ILE  74  -2.566   3.228   0.105
  446   1HD1  ILE  74          1HD1      ILE  74  -2.352   3.501   2.327
  447   2HD1  ILE  74          3HD1      ILE  74  -2.666   4.560   3.703
  448   3HD1  ILE  74          2HD1      ILE  74  -3.994   3.669   2.957
  449    H    LEU  75           H        LEU  75  -6.225   4.754  -1.344
  450    HA   LEU  75           HA       LEU  75  -5.251   4.261  -3.928
  451   1HB   LEU  75          2HB       LEU  75  -8.123   4.616  -3.046
  452   2HB   LEU  75          1HB       LEU  75  -7.616   3.901  -4.560
  453    HG   LEU  75           HG       LEU  75  -7.036   2.751  -1.832
  454   1HD1  LEU  75          3HD1      LEU  75  -9.081   1.969  -3.907
  455   2HD1  LEU  75          2HD1      LEU  75  -8.724   1.076  -2.429
  456   3HD1  LEU  75          1HD1      LEU  75  -9.414   2.697  -2.334
  457   1HD2  LEU  75          1HD2      LEU  75  -6.592   1.681  -4.618
  458   2HD2  LEU  75          3HD2      LEU  75  -5.356   2.102  -3.433
  459   3HD2  LEU  75          2HD2      LEU  75  -6.431   0.736  -3.138
  460    H    ALA  76           H        ALA  76  -7.176   6.878  -2.607
  461    HA   ALA  76           HA       ALA  76  -7.732   8.106  -5.126
  462   1HB   ALA  76          2HB       ALA  76  -9.026   9.614  -3.905
  463   2HB   ALA  76          1HB       ALA  76  -9.126   8.111  -2.976
  464   3HB   ALA  76          3HB       ALA  76  -8.053   9.412  -2.448
  465    H    LYS  77           H        LYS  77  -4.980   8.022  -3.274
  466    HA   LYS  77           HA       LYS  77  -4.071  10.715  -3.738
  467   1HB   LYS  77          2HB       LYS  77  -3.313   9.150  -1.864
  468   2HB   LYS  77          1HB       LYS  77  -2.338   8.348  -3.089
  469   1HG   LYS  77          2HG       LYS  77  -1.659  10.955  -3.476
  470   2HG   LYS  77          1HG       LYS  77  -1.924  10.904  -1.731
  471   1HD   LYS  77          2HD       LYS  77  -0.153   9.040  -3.289
  472   2HD   LYS  77          1HD       LYS  77   0.405  10.415  -2.337
  473   1HE   LYS  77          2HE       LYS  77  -0.431   9.396  -0.309
  474   2HE   LYS  77          1HE       LYS  77  -1.135   8.069  -1.230
  475   1HZ   LYS  77          1HZ       LYS  77   1.147   7.505  -1.962
  476   2HZ   LYS  77          3HZ       LYS  77   1.754   8.675  -0.895
  477   3HZ   LYS  77          2HZ       LYS  77   0.912   7.334  -0.292
  478    H    ARG  78           H        ARG  78  -4.066   7.704  -5.449
  479    HA   ARG  78           HA       ARG  78  -1.979   8.490  -7.269
  480   1HB   ARG  78          2HB       ARG  78  -3.783   6.121  -7.083
  481   2HB   ARG  78          1HB       ARG  78  -2.868   6.431  -8.557
  482   1HG   ARG  78          2HG       ARG  78  -0.796   6.415  -7.307
  483   2HG   ARG  78          1HG       ARG  78  -1.682   6.176  -5.801
  484   1HD   ARG  78          2HD       ARG  78  -0.770   4.087  -6.565
  485   2HD   ARG  78          1HD       ARG  78  -2.527   4.054  -6.654
  486    HE   ARG  78           HE       ARG  78  -2.183   4.561  -9.111
  487   1HH1  ARG  78          1HH1      ARG  78   0.179   2.804  -7.197
  488   2HH1  ARG  78          2HH1      ARG  78   0.790   1.901  -8.549
  489   1HH2  ARG  78          1HH2      ARG  78  -1.400   3.385 -10.876
  490   2HH2  ARG  78          2HH2      ARG  78  -0.115   2.237 -10.661
  491    H    SER  79           H        SER  79  -2.958  10.516  -7.798
  492    HA   SER  79           HA       SER  79  -4.510  10.440 -10.215
  493   1HB   SER  79          2HB       SER  79  -5.653  11.713  -7.702
  494   2HB   SER  79          1HB       SER  79  -6.310  11.930  -9.323
  495    HG   SER  79           HG       SER  79  -5.980   9.298  -8.634
  496    HA   PRO  80           HA       PRO  80  -2.396  14.387 -10.817
  497   1HB   PRO  80          2HB       PRO  80  -4.269  16.101 -11.729
  498   2HB   PRO  80          1HB       PRO  80  -3.705  14.732 -12.701
  499   1HG   PRO  80          2HG       PRO  80  -6.117  14.896 -10.914
  500   2HG   PRO  80          1HG       PRO  80  -6.048  14.400 -12.621
  501   1HD   PRO  80          2HD       PRO  80  -6.094  12.575 -10.698
  502   2HD   PRO  80          1HD       PRO  80  -5.012  12.366 -12.095
  503    H    ARG  81           H        ARG  81  -3.252  13.925  -8.151
  504    HA   ARG  81           HA       ARG  81  -4.296  16.447  -7.154
  505   1HB   ARG  81          2HB       ARG  81  -3.452  13.943  -5.682
  506   2HB   ARG  81          1HB       ARG  81  -4.263  15.328  -4.967
  507   1HG   ARG  81          2HG       ARG  81  -5.497  13.775  -7.213
  508   2HG   ARG  81          1HG       ARG  81  -5.666  13.274  -5.532
  509   1HD   ARG  81          2HD       ARG  81  -7.585  14.579  -6.170
  510   2HD   ARG  81          1HD       ARG  81  -6.629  15.479  -4.998
  511    HE   ARG  81           HE       ARG  81  -5.768  16.353  -7.455
  512   1HH1  ARG  81          1HH1      ARG  81  -8.846  16.164  -5.810
  513   2HH1  ARG  81          2HH1      ARG  81  -9.482  17.609  -6.541
  514   1HH2  ARG  81          1HH2      ARG  81  -6.591  18.268  -8.432
  515   2HH2  ARG  81          2HH2      ARG  81  -8.192  18.814  -8.016

  No H/Q in entry =         515
  Start of MODEL    4
    1    H1   LEU  22          2H        LEU  22  -4.926 -16.892  10.752
    2    H2   LEU  22          1H        LEU  22  -4.623 -18.065   9.565
    3    H3   LEU  22          3H        LEU  22  -6.199 -17.479   9.806
    4    HA   LEU  22           HA       LEU  22  -6.349 -18.482  11.934
    5   1HB   LEU  22          2HB       LEU  22  -5.163 -20.419   9.938
    6   2HB   LEU  22          1HB       LEU  22  -6.038 -20.882  11.381
    7    HG   LEU  22           HG       LEU  22  -8.000 -19.538  10.376
    8   1HD1  LEU  22          2HD1      LEU  22  -6.755 -18.431   8.605
    9   2HD1  LEU  22          1HD1      LEU  22  -6.358 -19.994   7.892
   10   3HD1  LEU  22          3HD1      LEU  22  -8.032 -19.445   7.939
   11   1HD2  LEU  22          2HD2      LEU  22  -7.983 -21.954  10.637
   12   2HD2  LEU  22          1HD2      LEU  22  -8.735 -21.493   9.109
   13   3HD2  LEU  22          3HD2      LEU  22  -7.088 -22.126   9.128
   14    H    ALA  23           H        ALA  23  -3.166 -19.076  10.473
   15    HA   ALA  23           HA       ALA  23  -2.013 -20.279  12.747
   16   1HB   ALA  23          3HB       ALA  23  -0.642 -18.814  10.494
   17   2HB   ALA  23          1HB       ALA  23  -1.101 -20.519  10.486
   18   3HB   ALA  23          2HB       ALA  23   0.116 -19.939  11.626
   19    H    LYS  24           H        LYS  24  -1.848 -19.315  14.643
   20    HA   LYS  24           HA       LYS  24  -1.057 -16.488  14.712
   21   1HB   LYS  24          2HB       LYS  24  -2.527 -18.154  16.765
   22   2HB   LYS  24          1HB       LYS  24  -1.997 -16.497  17.029
   23   1HG   LYS  24          2HG       LYS  24  -3.404 -15.746  15.179
   24   2HG   LYS  24          1HG       LYS  24  -3.932 -17.406  14.911
   25   1HD   LYS  24          2HD       LYS  24  -4.328 -15.932  17.508
   26   2HD   LYS  24          1HD       LYS  24  -5.529 -15.970  16.216
   27   1HE   LYS  24          2HE       LYS  24  -4.412 -18.389  17.635
   28   2HE   LYS  24          1HE       LYS  24  -5.975 -17.646  17.969
   29   1HZ   LYS  24          2HZ       LYS  24  -6.509 -18.087  15.553
   30   2HZ   LYS  24          1HZ       LYS  24  -5.125 -19.061  15.502
   31   3HZ   LYS  24          3HZ       LYS  24  -6.398 -19.454  16.551
   32    H    GLY  25           H        GLY  25   1.052 -16.335  14.909
   33   1HA   GLY  25          1HA       GLY  25   2.508 -18.339  16.497
   34   2HA   GLY  25          2HA       GLY  25   2.760 -16.627  16.812
   35    H    GLU  26           H        GLU  26   2.987 -19.117  14.309
   36    HA   GLU  26           HA       GLU  26   5.462 -18.219  13.310
   37   1HB   GLU  26          2HB       GLU  26   4.965 -19.726  11.372
   38   2HB   GLU  26          1HB       GLU  26   4.825 -20.501  12.944
   39   1HG   GLU  26          2HG       GLU  26   2.391 -20.251  12.841
   40   2HG   GLU  26          1HG       GLU  26   2.544 -19.494  11.256
   41    H    SER  27           H        SER  27   2.150 -17.549  12.397
   42    HA   SER  27           HA       SER  27   3.116 -15.526  10.507
   43   1HB   SER  27          2HB       SER  27   0.296 -16.583  10.874
   44   2HB   SER  27          1HB       SER  27   0.848 -15.488   9.605
   45    HG   SER  27           HG       SER  27   2.378 -17.271   9.073
   46    H    LEU  28           H        LEU  28   3.718 -13.947  11.945
   47    HA   LEU  28           HA       LEU  28   1.737 -13.048  13.914
   48   1HB   LEU  28          2HB       LEU  28   4.139 -13.670  14.535
   49   2HB   LEU  28          1HB       LEU  28   4.625 -12.211  13.700
   50    HG   LEU  28           HG       LEU  28   2.671 -12.134  15.988
   51   1HD1  LEU  28          3HD1      LEU  28   5.678 -11.959  16.107
   52   2HD1  LEU  28          2HD1      LEU  28   4.570 -11.630  17.441
   53   3HD1  LEU  28          1HD1      LEU  28   4.683 -13.257  16.770
   54   1HD2  LEU  28          1HD2      LEU  28   2.836 -10.132  14.574
   55   2HD2  LEU  28          3HD2      LEU  28   3.457  -9.837  16.197
   56   3HD2  LEU  28          2HD2      LEU  28   4.576 -10.082  14.856
   57    HA   PRO  29           HA       PRO  29   0.214  -9.643  11.499
   58   1HB   PRO  29          2HB       PRO  29   0.736  -8.402  14.178
   59   2HB   PRO  29          1HB       PRO  29  -0.653  -8.202  13.103
   60   1HG   PRO  29          2HG       PRO  29  -0.645  -9.907  15.222
   61   2HG   PRO  29          1HG       PRO  29  -1.612 -10.163  13.759
   62   1HD   PRO  29          2HD       PRO  29   0.640 -11.705  14.726
   63   2HD   PRO  29          1HD       PRO  29  -0.425 -12.030  13.347
   64    HA   PRO  30           HA       PRO  30   4.303  -7.834  10.685
   65   1HB   PRO  30          2HB       PRO  30   3.745  -7.009   8.178
   66   2HB   PRO  30          1HB       PRO  30   4.132  -8.692   8.552
   67   1HG   PRO  30          2HG       PRO  30   1.467  -7.411   8.091
   68   2HG   PRO  30          1HG       PRO  30   2.067  -8.984   7.537
   69   1HD   PRO  30          2HD       PRO  30   0.421  -8.663   9.697
   70   2HD   PRO  30          1HD       PRO  30   1.558 -10.013   9.520
   71    HA   PRO  31           HA       PRO  31   3.073  -3.727  11.996
   72   1HB   PRO  31          2HB       PRO  31   5.925  -3.168  11.387
   73   2HB   PRO  31          1HB       PRO  31   5.018  -2.890  12.878
   74   1HG   PRO  31          2HG       PRO  31   6.794  -4.873  12.709
   75   2HG   PRO  31          1HG       PRO  31   5.270  -5.079  13.594
   76   1HD   PRO  31          2HD       PRO  31   6.027  -6.062  10.870
   77   2HD   PRO  31          1HD       PRO  31   5.099  -6.876  12.148
   78    HA   PRO  32           HA       PRO  32   2.291  -1.918   7.999
   79   1HB   PRO  32          2HB       PRO  32   2.009   0.568   9.603
   80   2HB   PRO  32          1HB       PRO  32   0.875  -0.176   8.470
   81   1HG   PRO  32          2HG       PRO  32   0.458  -0.309  11.095
   82   2HG   PRO  32          1HG       PRO  32   0.089  -1.686  10.040
   83   1HD   PRO  32          2HD       PRO  32   2.415  -1.271  11.874
   84   2HD   PRO  32          1HD       PRO  32   1.495  -2.751  11.532
   85    H    GLU  33           H        GLU  33   4.169   0.011  10.332
   86    HA   GLU  33           HA       GLU  33   5.779   1.064   8.154
   87   1HB   GLU  33          2HB       GLU  33   6.849   2.438   9.955
   88   2HB   GLU  33          1HB       GLU  33   5.124   2.707   9.758
   89   1HG   GLU  33          2HG       GLU  33   4.629   1.441  11.714
   90   2HG   GLU  33          1HG       GLU  33   6.302   0.900  11.849
   91    H    ASN  34           H        ASN  34   6.783  -0.886   7.563
   92    HA   ASN  34           HA       ASN  34   8.414  -2.356   9.411
   93   1HB   ASN  34          2HB       ASN  34   7.339  -3.264   7.276
   94   2HB   ASN  34          1HB       ASN  34   8.591  -2.404   6.389
   95   1HD2  ASN  34          1HD2      ASN  34   9.566  -4.198   5.554
   96   2HD2  ASN  34          2HD2      ASN  34  10.417  -5.359   6.516
   97    HA   PRO  35           HA       PRO  35  12.102   0.174   9.676
   98   1HB   PRO  35          2HB       PRO  35  13.721  -2.148   9.120
   99   2HB   PRO  35          1HB       PRO  35  13.495  -1.301  10.649
  100   1HG   PRO  35          2HG       PRO  35  12.163  -3.721   9.632
  101   2HG   PRO  35          1HG       PRO  35  12.362  -3.162  11.302
  102   1HD   PRO  35          2HD       PRO  35   9.978  -3.104  10.077
  103   2HD   PRO  35          1HD       PRO  35  10.472  -1.822  11.205
  104    H    MET  36           H        MET  36  11.800  -2.211   7.067
  105    HA   MET  36           HA       MET  36  13.741  -1.114   5.338
  106   1HB   MET  36          2HB       MET  36  12.754  -3.399   5.134
  107   2HB   MET  36          1HB       MET  36  11.249  -2.663   4.591
  108   1HG   MET  36          2HG       MET  36  12.380  -1.748   2.644
  109   2HG   MET  36          1HG       MET  36  13.908  -2.437   3.193
  110   1HE   MET  36          3HE       MET  36  14.284  -5.060   3.497
  111   2HE   MET  36          2HE       MET  36  12.768  -5.248   4.381
  112   3HE   MET  36          1HE       MET  36  13.118  -6.287   2.999
  113    H    SER  37           H        SER  37  10.207  -0.746   5.397
  114    HA   SER  37           HA       SER  37  10.364   1.947   4.386
  115   1HB   SER  37          2HB       SER  37   9.027  -0.230   2.748
  116   2HB   SER  37          1HB       SER  37   8.883   1.499   2.427
  117    HG   SER  37           HG       SER  37  11.486   0.722   2.645
  118    H    ALA  38           H        ALA  38   8.576   3.112   5.069
  119    HA   ALA  38           HA       ALA  38   6.763   1.637   6.796
  120   1HB   ALA  38          3HB       ALA  38   7.052   4.612   6.379
  121   2HB   ALA  38          2HB       ALA  38   6.055   3.831   7.607
  122   3HB   ALA  38          1HB       ALA  38   7.810   3.672   7.664
  123    H    ASP  39           H        ASP  39   6.435   4.147   4.287
  124    HA   ASP  39           HA       ASP  39   3.651   3.443   3.958
  125   1HB   ASP  39          2HB       ASP  39   5.410   5.583   2.812
  126   2HB   ASP  39          1HB       ASP  39   3.819   5.259   2.127
  127    H    ARG  40           H        ARG  40   6.685   2.975   2.326
  128    HA   ARG  40           HA       ARG  40   5.683   2.179  -0.160
  129   1HB   ARG  40          2HB       ARG  40   8.046   2.674   0.169
  130   2HB   ARG  40          1HB       ARG  40   8.206   1.270   1.215
  131   1HG   ARG  40          2HG       ARG  40   7.570  -0.168  -0.706
  132   2HG   ARG  40          1HG       ARG  40   7.579   1.271  -1.727
  133   1HD   ARG  40          2HD       ARG  40   9.934   1.636  -1.190
  134   2HD   ARG  40          1HD       ARG  40   9.927   0.195  -0.172
  135    HE   ARG  40           HE       ARG  40   9.121  -0.184  -2.938
  136   1HH1  ARG  40          1HH1      ARG  40  11.702  -0.397  -0.570
  137   2HH1  ARG  40          2HH1      ARG  40  12.672  -1.458  -1.544
  138   1HH2  ARG  40          1HH2      ARG  40  10.387  -1.547  -4.209
  139   2HH2  ARG  40          2HH2      ARG  40  11.916  -2.124  -3.621
  140    H    VAL  41           H        VAL  41   6.427   0.306   2.749
  141    HA   VAL  41           HA       VAL  41   5.726  -2.209   1.657
  142    HB   VAL  41           HB       VAL  41   5.884  -1.280   4.529
  143   1HG1  VAL  41          3HG1      VAL  41   5.577  -4.087   3.474
  144   2HG1  VAL  41          2HG1      VAL  41   5.909  -3.650   5.149
  145   3HG1  VAL  41          1HG1      VAL  41   4.380  -3.185   4.403
  146   1HG2  VAL  41          2HG2      VAL  41   7.771  -2.889   2.817
  147   2HG2  VAL  41          1HG2      VAL  41   8.008  -1.235   3.380
  148   3HG2  VAL  41          3HG2      VAL  41   7.984  -2.563   4.537
  149    H    ARG  42           H        ARG  42   3.896   0.281   3.380
  150    HA   ARG  42           HA       ARG  42   1.540  -1.226   3.729
  151   1HB   ARG  42          2HB       ARG  42   1.952   1.753   3.497
  152   2HB   ARG  42          1HB       ARG  42   0.388   1.026   3.834
  153   1HG   ARG  42          2HG       ARG  42   1.590  -0.113   5.806
  154   2HG   ARG  42          1HG       ARG  42   2.837   1.110   5.547
  155   1HD   ARG  42          2HD       ARG  42  -0.087   1.633   6.082
  156   2HD   ARG  42          1HD       ARG  42   1.226   1.818   7.241
  157    HE   ARG  42           HE       ARG  42   1.832   3.417   5.045
  158   1HH1  ARG  42          1HH1      ARG  42  -0.671   3.207   7.494
  159   2HH1  ARG  42          2HH1      ARG  42  -0.921   4.928   7.554
  160   1HH2  ARG  42          1HH2      ARG  42   1.476   5.700   5.117
  161   2HH2  ARG  42          2HH2      ARG  42   0.271   6.326   6.214
  162    H    TRP  43           H        TRP  43   2.504   1.041   1.153
  163    HA   TRP  43           HA       TRP  43   0.138   0.815  -0.374
  164   1HB   TRP  43          2HB       TRP  43   2.534   2.238  -0.566
  165   2HB   TRP  43          1HB       TRP  43   2.553   1.197  -1.982
  166    HD1  TRP  43           HD1      TRP  43   2.087   4.487  -1.826
  167    HE1  TRP  43           HE1      TRP  43   0.083   5.434  -3.123
  168    HE3  TRP  43           HE3      TRP  43  -0.707   0.237  -2.247
  169    HZ2  TRP  43           HZ2      TRP  43  -2.359   4.520  -4.162
  170    HZ3  TRP  43           HZ3      TRP  43  -2.866   0.364  -3.392
  171    HH2  TRP  43           HH2      TRP  43  -3.672   2.456  -4.312
  172    H    GLU  44           H        GLU  44   3.195  -0.970  -0.461
  173    HA   GLU  44           HA       GLU  44   2.677  -2.625  -2.640
  174   1HB   GLU  44          2HB       GLU  44   4.863  -2.445  -1.538
  175   2HB   GLU  44          1HB       GLU  44   4.219  -3.235  -0.108
  176   1HG   GLU  44          2HG       GLU  44   3.897  -4.771  -2.574
  177   2HG   GLU  44          1HG       GLU  44   5.571  -4.467  -2.114
  178    H    HIS  45           H        HIS  45   1.601  -2.813   0.694
  179    HA   HIS  45           HA       HIS  45   0.510  -5.459   0.467
  180   1HB   HIS  45          2HB       HIS  45   1.278  -4.209   2.609
  181   2HB   HIS  45          1HB       HIS  45  -0.285  -3.408   2.536
  182    HD1  HIS  45           HD1      HIS  45   1.282  -6.095   4.160
  183    HD2  HIS  45           HD2      HIS  45  -2.450  -5.608   2.355
  184    HE1  HIS  45           HE1      HIS  45  -0.190  -7.882   5.143
  185    HE2  HIS  45           HE2      HIS  45  -2.483  -7.405   4.223
  186    H    ILE  46           H        ILE  46  -0.680  -2.158   0.179
  187    HA   ILE  46           HA       ILE  46  -3.439  -2.725   0.073
  188    HB   ILE  46           HB       ILE  46  -2.136  -0.492  -1.478
  189   1HG1  ILE  46          2HG1      ILE  46  -2.804  -0.538   1.469
  190   2HG1  ILE  46          1HG1      ILE  46  -1.187  -0.448   0.773
  191   1HG2  ILE  46          2HG2      ILE  46  -4.533  -0.832  -1.798
  192   2HG2  ILE  46          1HG2      ILE  46  -4.779  -0.698  -0.051
  193   3HG2  ILE  46          3HG2      ILE  46  -4.188   0.692  -0.971
  194   1HD1  ILE  46          3HD1      ILE  46  -1.994   1.689  -0.369
  195   2HD1  ILE  46          2HD1      ILE  46  -3.349   1.613   0.759
  196   3HD1  ILE  46          1HD1      ILE  46  -1.704   1.744   1.379
  197    H    GLN  47           H        GLN  47  -0.905  -2.781  -2.339
  198    HA   GLN  47           HA       GLN  47  -2.647  -2.941  -4.596
  199   1HB   GLN  47          2HB       GLN  47   0.303  -3.477  -4.260
  200   2HB   GLN  47          1HB       GLN  47  -0.519  -3.655  -5.801
  201   1HG   GLN  47          2HG       GLN  47  -0.453  -1.103  -4.211
  202   2HG   GLN  47          1HG       GLN  47   0.683  -1.503  -5.496
  203   1HE2  GLN  47          1HE2      GLN  47  -1.183   0.722  -5.350
  204   2HE2  GLN  47          2HE2      GLN  47  -2.219   0.574  -6.730
  205    H    ARG  48           H        ARG  48  -0.666  -5.322  -2.846
  206    HA   ARG  48           HA       ARG  48  -1.352  -7.509  -4.451
  207   1HB   ARG  48          2HB       ARG  48  -0.628  -8.915  -2.486
  208   2HB   ARG  48          1HB       ARG  48   0.555  -7.762  -3.086
  209   1HG   ARG  48          2HG       ARG  48   0.802  -7.425  -0.874
  210   2HG   ARG  48          1HG       ARG  48  -0.499  -6.273  -1.173
  211   1HD   ARG  48          2HD       ARG  48  -1.022  -7.572   0.781
  212   2HD   ARG  48          1HD       ARG  48  -2.131  -7.993  -0.526
  213    HE   ARG  48           HE       ARG  48  -1.217 -10.112  -0.612
  214   1HH1  ARG  48          1HH1      ARG  48   0.823  -8.112   1.449
  215   2HH1  ARG  48          2HH1      ARG  48   1.613  -9.474   2.170
  216   1HH2  ARG  48          1HH2      ARG  48  -0.158 -11.873   0.355
  217   2HH2  ARG  48          2HH2      ARG  48   1.081 -11.591   1.549
  218    H    ILE  49           H        ILE  49  -3.090  -6.037  -1.799
  219    HA   ILE  49           HA       ILE  49  -4.945  -8.257  -1.702
  220    HB   ILE  49           HB       ILE  49  -4.500  -7.233   0.403
  221   1HG1  ILE  49          2HG1      ILE  49  -6.725  -6.801   1.193
  222   2HG1  ILE  49          1HG1      ILE  49  -7.259  -6.332  -0.417
  223   1HG2  ILE  49          3HG2      ILE  49  -3.827  -5.041  -0.432
  224   2HG2  ILE  49          2HG2      ILE  49  -5.524  -4.662  -0.741
  225   3HG2  ILE  49          1HG2      ILE  49  -4.972  -4.935   0.910
  226   1HD1  ILE  49          3HD1      ILE  49  -6.189  -9.071  -0.018
  227   2HD1  ILE  49          2HD1      ILE  49  -7.811  -8.698   0.567
  228   3HD1  ILE  49          1HD1      ILE  49  -7.412  -8.492  -1.141
  229    H    TYR  50           H        TYR  50  -4.949  -4.900  -2.854
  230    HA   TYR  50           HA       TYR  50  -7.664  -4.663  -3.430
  231   1HB   TYR  50          2HB       TYR  50  -5.785  -2.891  -3.483
  232   2HB   TYR  50          1HB       TYR  50  -5.516  -3.420  -5.139
  233    HD1  TYR  50           HD1      TYR  50  -8.182  -2.141  -2.878
  234    HD2  TYR  50           HD2      TYR  50  -6.745  -2.448  -6.871
  235    HE1  TYR  50           HE1      TYR  50  -9.943  -0.598  -3.623
  236    HE2  TYR  50           HE2      TYR  50  -8.505  -0.903  -7.628
  237    HH   TYR  50           HH       TYR  50 -10.274   1.025  -5.566
  238    H    GLU  51           H        GLU  51  -5.024  -5.983  -5.351
  239    HA   GLU  51           HA       GLU  51  -6.583  -6.398  -7.696
  240   1HB   GLU  51          2HB       GLU  51  -3.922  -7.522  -6.820
  241   2HB   GLU  51          1HB       GLU  51  -4.631  -7.804  -8.405
  242   1HG   GLU  51          2HG       GLU  51  -4.064  -5.056  -7.325
  243   2HG   GLU  51          1HG       GLU  51  -2.908  -5.982  -8.283
  244    H    MET  52           H        MET  52  -5.743  -8.458  -4.916
  245    HA   MET  52           HA       MET  52  -6.710 -10.826  -6.225
  246   1HB   MET  52          2HB       MET  52  -6.283 -12.010  -4.161
  247   2HB   MET  52          1HB       MET  52  -4.918 -10.979  -4.552
  248   1HG   MET  52          2HG       MET  52  -5.543  -9.406  -2.876
  249   2HG   MET  52          1HG       MET  52  -7.063 -10.240  -2.580
  250   1HE   MET  52          2HE       MET  52  -3.134 -10.646  -2.457
  251   2HE   MET  52          1HE       MET  52  -2.992 -12.205  -1.646
  252   3HE   MET  52          3HE       MET  52  -3.697 -12.112  -3.258
  253    H    CYS  53           H        CYS  53  -8.102  -8.484  -3.996
  254    HA   CYS  53           HA       CYS  53 -10.486 -10.142  -3.715
  255   1HB   CYS  53          2HB       CYS  53  -9.461  -8.794  -1.804
  256   2HB   CYS  53          1HB       CYS  53 -10.096  -7.363  -2.614
  257    HG   CYS  53           HG       CYS  53 -12.708  -9.055  -2.560
  258    H    ASP  54           H        ASP  54  -9.401  -8.461  -6.137
  259    HA   ASP  54           HA       ASP  54 -10.279  -7.457  -7.962
  260   1HB   ASP  54          2HB       ASP  54 -11.732  -9.460  -7.909
  261   2HB   ASP  54          1HB       ASP  54 -12.903  -8.565  -6.946
  262    H    ARG  55           H        ARG  55  -9.693  -5.549  -6.474
  263    HA   ARG  55           HA       ARG  55 -10.029  -3.342  -6.109
  264   1HB   ARG  55          2HB       ARG  55 -12.448  -3.724  -7.872
  265   2HB   ARG  55          1HB       ARG  55 -11.663  -2.190  -7.498
  266   1HG   ARG  55          2HG       ARG  55  -9.590  -3.063  -8.544
  267   2HG   ARG  55          1HG       ARG  55 -10.489  -4.503  -9.020
  268   1HD   ARG  55          2HD       ARG  55 -12.079  -3.004 -10.231
  269   2HD   ARG  55          1HD       ARG  55 -10.982  -1.666  -9.887
  270    HE   ARG  55           HE       ARG  55  -9.754  -3.940 -11.185
  271   1HH1  ARG  55          1HH1      ARG  55 -11.284  -0.826 -11.618
  272   2HH1  ARG  55          2HH1      ARG  55 -10.703  -0.616 -13.241
  273   1HH2  ARG  55          1HH2      ARG  55  -8.995  -3.695 -13.307
  274   2HH2  ARG  55          2HH2      ARG  55  -9.386  -2.258 -14.208
  275    H    ASN  56           H        ASN  56 -11.415  -5.387  -4.378
  276    HA   ASN  56           HA       ASN  56 -13.679  -3.860  -3.374
  277   1HB   ASN  56          2HB       ASN  56 -13.894  -6.300  -3.546
  278   2HB   ASN  56          1HB       ASN  56 -12.538  -6.498  -2.443
  279   1HD2  ASN  56          1HD2      ASN  56 -13.819  -7.652  -0.993
  280   2HD2  ASN  56          2HD2      ASN  56 -14.985  -6.861   0.014
  281    H    VAL  57           H        VAL  57 -13.327  -2.276  -2.013
  282    HA   VAL  57           HA       VAL  57 -10.756  -1.859  -0.860
  283    HB   VAL  57           HB       VAL  57 -13.316  -0.328  -0.376
  284   1HG1  VAL  57          1HG1      VAL  57 -10.437   0.466   0.046
  285   2HG1  VAL  57          3HG1      VAL  57 -11.833   1.527   0.232
  286   3HG1  VAL  57          2HG1      VAL  57 -11.624   0.147   1.308
  287   1HG2  VAL  57          2HG2      VAL  57 -11.135   0.087  -2.417
  288   2HG2  VAL  57          1HG2      VAL  57 -12.802  -0.398  -2.737
  289   3HG2  VAL  57          3HG2      VAL  57 -12.459   1.210  -2.099
  290    H    SER  58           H        SER  58 -13.727  -3.247   0.330
  291    HA   SER  58           HA       SER  58 -13.337  -2.718   3.066
  292   1HB   SER  58          2HB       SER  58 -14.944  -4.604   3.435
  293   2HB   SER  58          1HB       SER  58 -15.517  -3.383   2.299
  294    HG   SER  58           HG       SER  58 -15.902  -5.205   1.223
  295    H    GLU  59           H        GLU  59 -12.547  -5.645   1.154
  296    HA   GLU  59           HA       GLU  59 -11.212  -6.901   3.332
  297   1HB   GLU  59          2HB       GLU  59 -12.072  -8.176   1.379
  298   2HB   GLU  59          1HB       GLU  59 -10.845  -7.424   0.368
  299   1HG   GLU  59          2HG       GLU  59 -10.120  -9.634   0.949
  300   2HG   GLU  59          1HG       GLU  59  -9.091  -8.475   1.786
  301    H    THR  60           H        THR  60 -10.162  -4.836   0.675
  302    HA   THR  60           HA       THR  60  -7.416  -5.068   1.002
  303    HB   THR  60           HB       THR  60  -8.872  -2.505   0.314
  304    HG1  THR  60           HG1      THR  60  -9.531  -4.121  -1.121
  305   1HG2  THR  60          3HG2      THR  60  -6.469  -2.239   0.819
  306   2HG2  THR  60          2HG2      THR  60  -6.097  -3.494  -0.367
  307   3HG2  THR  60          1HG2      THR  60  -6.812  -1.968  -0.894
  308    H    ALA  61           H        ALA  61  -9.633  -2.751   2.536
  309    HA   ALA  61           HA       ALA  61  -7.737  -1.519   4.205
  310   1HB   ALA  61          1HB       ALA  61 -10.702  -1.881   4.626
  311   2HB   ALA  61          3HB       ALA  61  -9.669  -0.717   5.461
  312   3HB   ALA  61          2HB       ALA  61  -9.936  -0.571   3.723
  313    H    ARG  62           H        ARG  62  -9.887  -4.298   4.742
  314    HA   ARG  62           HA       ARG  62  -9.320  -4.597   7.501
  315   1HB   ARG  62          2HB       ARG  62 -11.153  -5.687   5.847
  316   2HB   ARG  62          1HB       ARG  62 -10.004  -7.014   5.911
  317   1HG   ARG  62          2HG       ARG  62 -11.329  -5.730   8.295
  318   2HG   ARG  62          1HG       ARG  62 -11.794  -7.262   7.559
  319   1HD   ARG  62          2HD       ARG  62  -9.094  -6.685   8.774
  320   2HD   ARG  62          1HD       ARG  62 -10.412  -7.512   9.602
  321    HE   ARG  62           HE       ARG  62 -10.114  -9.008   7.384
  322   1HH1  ARG  62          1HH1      ARG  62  -7.783  -7.776   9.679
  323   2HH1  ARG  62          2HH1      ARG  62  -6.712  -9.138   9.542
  324   1HH2  ARG  62          1HH2      ARG  62  -8.717 -10.808   7.191
  325   2HH2  ARG  62          2HH2      ARG  62  -7.256 -10.882   8.132
  326    H    ARG  63           H        ARG  63  -7.934  -5.975   4.577
  327    HA   ARG  63           HA       ARG  63  -6.130  -7.712   6.002
  328   1HB   ARG  63          2HB       ARG  63  -7.171  -8.176   3.753
  329   2HB   ARG  63          1HB       ARG  63  -6.115  -6.947   3.081
  330   1HG   ARG  63          2HG       ARG  63  -4.207  -8.239   3.400
  331   2HG   ARG  63          1HG       ARG  63  -5.009  -9.300   4.567
  332   1HD   ARG  63          2HD       ARG  63  -6.403 -10.228   2.836
  333   2HD   ARG  63          1HD       ARG  63  -5.765  -9.084   1.662
  334    HE   ARG  63           HE       ARG  63  -3.882 -10.371   1.443
  335   1HH1  ARG  63          1HH1      ARG  63  -5.855 -11.564   4.084
  336   2HH1  ARG  63          2HH1      ARG  63  -4.964 -13.049   4.241
  337   1HH2  ARG  63          1HH2      ARG  63  -2.718 -12.356   1.641
  338   2HH2  ARG  63          2HH2      ARG  63  -3.191 -13.488   2.873
  339    H    LEU  64           H        LEU  64  -6.170  -4.462   5.033
  340    HA   LEU  64           HA       LEU  64  -3.293  -4.104   5.300
  341   1HB   LEU  64          2HB       LEU  64  -5.599  -2.413   4.511
  342   2HB   LEU  64          1HB       LEU  64  -4.311  -1.583   5.359
  343    HG   LEU  64           HG       LEU  64  -4.191  -1.498   2.818
  344   1HD1  LEU  64          1HD1      LEU  64  -2.256  -1.042   4.259
  345   2HD1  LEU  64          3HD1      LEU  64  -1.864  -2.761   4.278
  346   3HD1  LEU  64          2HD1      LEU  64  -1.780  -1.855   2.767
  347   1HD2  LEU  64          2HD2      LEU  64  -3.518  -4.408   3.216
  348   2HD2  LEU  64          1HD2      LEU  64  -4.885  -3.748   2.321
  349   3HD2  LEU  64          3HD2      LEU  64  -3.242  -3.496   1.733
  350    H    ASN  65           H        ASN  65  -5.865  -4.568   7.300
  351    HA   ASN  65           HA       ASN  65  -6.333  -4.326   9.491
  352   1HB   ASN  65          2HB       ASN  65  -3.918  -5.191   9.565
  353   2HB   ASN  65          1HB       ASN  65  -3.450  -3.525   9.882
  354   1HD2  ASN  65          1HD2      ASN  65  -2.683  -3.952  11.873
  355   2HD2  ASN  65          2HD2      ASN  65  -3.681  -4.358  13.225
  356    H    MET  66           H        MET  66  -6.910  -2.247   7.831
  357    HA   MET  66           HA       MET  66  -6.271   0.183   9.333
  358   1HB   MET  66          2HB       MET  66  -4.500   0.082   7.769
  359   2HB   MET  66          1HB       MET  66  -5.558  -0.480   6.486
  360   1HG   MET  66          2HG       MET  66  -6.297   2.129   7.493
  361   2HG   MET  66          1HG       MET  66  -4.660   2.067   6.843
  362   1HE   MET  66          1HE       MET  66  -4.057   1.115   4.556
  363   2HE   MET  66          3HE       MET  66  -4.976   1.773   3.201
  364   3HE   MET  66          2HE       MET  66  -4.376   2.858   4.457
  365    H    HIS  67           H        HIS  67  -7.562   2.006   8.718
  366    HA   HIS  67           HA       HIS  67 -10.311   1.255   8.282
  367   1HB   HIS  67          2HB       HIS  67  -8.851   3.311   9.582
  368   2HB   HIS  67          1HB       HIS  67  -9.933   4.077   8.419
  369    HD1  HIS  67           HD1      HIS  67 -11.123   4.993  10.665
  370    HD2  HIS  67           HD2      HIS  67 -11.468   0.913   9.922
  371    HE1  HIS  67           HE1      HIS  67 -13.006   4.193  12.126
  372    HE2  HIS  67           HE2      HIS  67 -13.320   1.767  11.517
  373    H    ARG  68           H        ARG  68 -11.698   2.164   6.661
  374    HA   ARG  68           HA       ARG  68 -10.511   2.171   4.092
  375   1HB   ARG  68          2HB       ARG  68 -13.297   2.785   5.034
  376   2HB   ARG  68          1HB       ARG  68 -12.840   2.987   3.349
  377   1HG   ARG  68          2HG       ARG  68 -13.743   0.867   3.383
  378   2HG   ARG  68          1HG       ARG  68 -12.011   0.555   3.509
  379   1HD   ARG  68          2HD       ARG  68 -13.005  -0.847   5.102
  380   2HD   ARG  68          1HD       ARG  68 -12.364   0.511   6.026
  381    HE   ARG  68           HE       ARG  68 -14.944   1.234   5.487
  382   1HH1  ARG  68          1HH1      ARG  68 -13.371  -1.446   7.090
  383   2HH1  ARG  68          2HH1      ARG  68 -14.774  -1.890   8.018
  384   1HH2  ARG  68          1HH2      ARG  68 -16.786   0.687   6.738
  385   2HH2  ARG  68          2HH2      ARG  68 -16.722  -0.678   7.811
  386    H    ARG  69           H        ARG  69 -11.227   4.723   6.319
  387    HA   ARG  69           HA       ARG  69 -11.247   6.914   4.562
  388   1HB   ARG  69          2HB       ARG  69 -10.180   6.757   7.388
  389   2HB   ARG  69          1HB       ARG  69 -10.503   8.248   6.513
  390   1HG   ARG  69          2HG       ARG  69 -12.534   6.167   7.290
  391   2HG   ARG  69          1HG       ARG  69 -12.299   7.740   8.058
  392   1HD   ARG  69          2HD       ARG  69 -12.926   8.870   6.010
  393   2HD   ARG  69          1HD       ARG  69 -13.054   7.328   5.166
  394    HE   ARG  69           HE       ARG  69 -14.753   7.311   7.414
  395   1HH1  ARG  69          1HH1      ARG  69 -14.472   8.757   4.223
  396   2HH1  ARG  69          2HH1      ARG  69 -16.191   8.969   4.038
  397   1HH2  ARG  69          1HH2      ARG  69 -16.988   7.597   7.167
  398   2HH2  ARG  69          2HH2      ARG  69 -17.621   8.305   5.714
  399    H    THR  70           H        THR  70  -8.697   4.946   5.818
  400    HA   THR  70           HA       THR  70  -6.572   6.602   4.798
  401    HB   THR  70           HB       THR  70  -6.376   3.786   5.848
  402    HG1  THR  70           HG1      THR  70  -6.542   4.562   7.832
  403   1HG2  THR  70          3HG2      THR  70  -4.373   4.696   4.720
  404   2HG2  THR  70          2HG2      THR  70  -4.402   6.084   5.807
  405   3HG2  THR  70          1HG2      THR  70  -4.102   4.468   6.448
  406    H    LEU  71           H        LEU  71  -7.879   3.376   4.093
  407    HA   LEU  71           HA       LEU  71  -6.304   2.712   1.907
  408   1HB   LEU  71          2HB       LEU  71  -8.250   1.486   3.280
  409   2HB   LEU  71          1HB       LEU  71  -9.188   1.960   1.881
  410    HG   LEU  71           HG       LEU  71  -8.489  -0.291   1.563
  411   1HD1  LEU  71          1HD1      LEU  71  -8.426   1.083  -0.434
  412   2HD1  LEU  71          3HD1      LEU  71  -6.734   1.476  -0.120
  413   3HD1  LEU  71          2HD1      LEU  71  -7.202  -0.186  -0.484
  414   1HD2  LEU  71          3HD2      LEU  71  -6.615  -0.281   3.168
  415   2HD2  LEU  71          2HD2      LEU  71  -6.204  -1.058   1.640
  416   3HD2  LEU  71          1HD2      LEU  71  -5.636   0.576   1.981
  417    H    GLN  72           H        GLN  72  -9.490   4.300   1.898
  418    HA   GLN  72           HA       GLN  72  -9.719   4.556  -0.902
  419   1HB   GLN  72          2HB       GLN  72 -11.040   5.900   1.426
  420   2HB   GLN  72          1HB       GLN  72 -11.342   6.470  -0.210
  421   1HG   GLN  72          2HG       GLN  72 -11.770   3.637   0.709
  422   2HG   GLN  72          1HG       GLN  72 -13.029   4.869   0.643
  423   1HE2  GLN  72          1HE2      GLN  72 -13.761   5.588  -1.345
  424   2HE2  GLN  72          2HE2      GLN  72 -13.465   4.714  -2.807
  425    H    ARG  73           H        ARG  73  -8.538   6.846   1.538
  426    HA   ARG  73           HA       ARG  73  -8.141   8.974  -0.274
  427   1HB   ARG  73          2HB       ARG  73  -8.321   9.326   2.115
  428   2HB   ARG  73          1HB       ARG  73  -6.869   8.380   2.396
  429   1HG   ARG  73          2HG       ARG  73  -5.477  10.048   1.552
  430   2HG   ARG  73          1HG       ARG  73  -6.812  10.878   0.743
  431   1HD   ARG  73          2HD       ARG  73  -7.697  11.663   2.758
  432   2HD   ARG  73          1HD       ARG  73  -6.748  10.530   3.717
  433    HE   ARG  73           HE       ARG  73  -5.143  12.411   2.244
  434   1HH1  ARG  73          1HH1      ARG  73  -6.988  11.884   5.179
  435   2HH1  ARG  73          2HH1      ARG  73  -6.054  13.014   6.121
  436   1HH2  ARG  73          1HH2      ARG  73  -3.908  13.897   3.484
  437   2HH2  ARG  73          2HH2      ARG  73  -4.347  14.188   5.144
  438    H    ILE  74           H        ILE  74  -6.139   6.285   0.708
  439    HA   ILE  74           HA       ILE  74  -3.726   7.119  -0.519
  440    HB   ILE  74           HB       ILE  74  -4.796   4.414   0.271
  441   1HG1  ILE  74          2HG1      ILE  74  -2.502   6.015   1.403
  442   2HG1  ILE  74          1HG1      ILE  74  -4.153   6.145   2.003
  443   1HG2  ILE  74          1HG2      ILE  74  -3.208   4.264  -1.675
  444   2HG2  ILE  74          3HG2      ILE  74  -1.965   4.937  -0.617
  445   3HG2  ILE  74          2HG2      ILE  74  -2.727   3.389  -0.225
  446   1HD1  ILE  74          1HD1      ILE  74  -2.488   3.638   1.987
  447   2HD1  ILE  74          3HD1      ILE  74  -2.792   4.672   3.384
  448   3HD1  ILE  74          2HD1      ILE  74  -4.127   3.801   2.626
  449    H    LEU  75           H        LEU  75  -6.371   5.004  -1.633
  450    HA   LEU  75           HA       LEU  75  -5.363   4.548  -4.243
  451   1HB   LEU  75          2HB       LEU  75  -8.258   4.663  -3.372
  452   2HB   LEU  75          1HB       LEU  75  -7.633   3.875  -4.806
  453    HG   LEU  75           HG       LEU  75  -6.981   3.017  -1.986
  454   1HD1  LEU  75          1HD1      LEU  75  -9.357   2.740  -2.459
  455   2HD1  LEU  75          3HD1      LEU  75  -8.966   1.877  -3.946
  456   3HD1  LEU  75          2HD1      LEU  75  -8.534   1.181  -2.383
  457   1HD2  LEU  75          1HD2      LEU  75  -6.508   1.725  -4.668
  458   2HD2  LEU  75          3HD2      LEU  75  -5.282   2.383  -3.587
  459   3HD2  LEU  75          2HD2      LEU  75  -6.209   0.962  -3.106
  460    H    ALA  76           H        ALA  76  -7.593   6.920  -2.904
  461    HA   ALA  76           HA       ALA  76  -8.348   8.117  -5.358
  462   1HB   ALA  76          1HB       ALA  76  -9.553   9.669  -4.016
  463   2HB   ALA  76          3HB       ALA  76  -9.649   8.099  -3.205
  464   3HB   ALA  76          2HB       ALA  76  -8.539   9.338  -2.611
  465    H    LYS  77           H        LYS  77  -5.516   8.376  -3.561
  466    HA   LYS  77           HA       LYS  77  -4.893  11.104  -4.074
  467   1HB   LYS  77          2HB       LYS  77  -3.850   9.646  -2.293
  468   2HB   LYS  77          1HB       LYS  77  -2.946   8.850  -3.572
  469   1HG   LYS  77          2HG       LYS  77  -2.793  11.813  -3.316
  470   2HG   LYS  77          1HG       LYS  77  -1.891  10.794  -2.186
  471   1HD   LYS  77          2HD       LYS  77  -0.818   9.670  -4.109
  472   2HD   LYS  77          1HD       LYS  77  -1.684  10.753  -5.204
  473   1HE   LYS  77          2HE       LYS  77   0.340  11.542  -3.101
  474   2HE   LYS  77          1HE       LYS  77   0.578  11.558  -4.849
  475   1HZ   LYS  77          3HZ       LYS  77  -1.155  13.249  -5.025
  476   2HZ   LYS  77          2HZ       LYS  77  -1.347  13.244  -3.343
  477   3HZ   LYS  77          1HZ       LYS  77   0.109  13.770  -4.021
  478    H    ARG  78           H        ARG  78  -4.673   8.153  -5.875
  479    HA   ARG  78           HA       ARG  78  -2.944   9.237  -7.919
  480   1HB   ARG  78          2HB       ARG  78  -4.462   6.683  -7.569
  481   2HB   ARG  78          1HB       ARG  78  -3.883   7.124  -9.168
  482   1HG   ARG  78          2HG       ARG  78  -2.230   5.734  -8.254
  483   2HG   ARG  78          1HG       ARG  78  -1.597   7.375  -8.131
  484   1HD   ARG  78          2HD       ARG  78  -2.117   7.473  -5.799
  485   2HD   ARG  78          1HD       ARG  78  -2.972   5.931  -5.874
  486    HE   ARG  78           HE       ARG  78  -0.951   4.822  -5.892
  487   1HH1  ARG  78          1HH1      ARG  78  -0.412   8.266  -6.201
  488   2HH1  ARG  78          2HH1      ARG  78   1.293   8.156  -5.900
  489   1HH2  ARG  78          1HH2      ARG  78   1.312   4.681  -5.514
  490   2HH2  ARG  78          2HH2      ARG  78   2.268   6.132  -5.539
  491    H    SER  79           H        SER  79  -4.877  10.987  -7.498
  492    HA   SER  79           HA       SER  79  -6.196  11.177 -10.056
  493   1HB   SER  79          2HB       SER  79  -7.777  11.218  -7.453
  494   2HB   SER  79          1HB       SER  79  -8.429  11.586  -9.050
  495    HG   SER  79           HG       SER  79  -7.144   9.197  -9.014
  496    HA   PRO  80           HA       PRO  80  -5.597  15.581  -9.279
  497   1HB   PRO  80          2HB       PRO  80  -8.506  16.146  -9.187
  498   2HB   PRO  80          1HB       PRO  80  -7.260  16.836 -10.231
  499   1HG   PRO  80          2HG       PRO  80  -9.046  15.079 -11.169
  500   2HG   PRO  80          1HG       PRO  80  -7.367  15.093 -11.741
  501   1HD   PRO  80          2HD       PRO  80  -8.710  13.230  -9.835
  502   2HD   PRO  80          1HD       PRO  80  -7.473  12.893 -11.062
  503    H    ARG  81           H        ARG  81  -7.956  13.900  -7.383
  504    HA   ARG  81           HA       ARG  81  -8.683  13.986  -5.252
  505   1HB   ARG  81          2HB       ARG  81  -5.979  13.877  -5.127
  506   2HB   ARG  81          1HB       ARG  81  -6.264  15.376  -4.257
  507   1HG   ARG  81          2HG       ARG  81  -7.488  12.709  -3.579
  508   2HG   ARG  81          1HG       ARG  81  -6.098  13.433  -2.775
  509   1HD   ARG  81          2HD       ARG  81  -7.927  13.888  -1.376
  510   2HD   ARG  81          1HD       ARG  81  -7.615  15.393  -2.234
  511    HE   ARG  81           HE       ARG  81  -9.525  14.821  -3.680
  512   1HH1  ARG  81          1HH1      ARG  81  -9.271  13.303  -0.540
  513   2HH1  ARG  81          2HH1      ARG  81 -10.965  12.919  -0.438
  514   1HH2  ARG  81          1HH2      ARG  81 -11.756  14.363  -3.557
  515   2HH2  ARG  81          2HH2      ARG  81 -12.383  13.523  -2.164

  No H/Q in entry =         515
  Start of MODEL    5
    1    H1   LEU  22          3H        LEU  22  22.493  -5.757 -10.629
    2    H2   LEU  22          2H        LEU  22  22.480  -5.968 -12.305
    3    H3   LEU  22          1H        LEU  22  21.146  -5.268 -11.523
    4    HA   LEU  22           HA       LEU  22  20.563  -7.479 -12.044
    5   1HB   LEU  22          2HB       LEU  22  23.092  -8.243 -10.574
    6   2HB   LEU  22          1HB       LEU  22  21.892  -9.371 -11.170
    7    HG   LEU  22           HG       LEU  22  23.628  -7.573 -12.859
    8   1HD1  LEU  22          3HD1      LEU  22  24.838  -9.441 -11.877
    9   2HD1  LEU  22          2HD1      LEU  22  23.617 -10.564 -12.481
   10   3HD1  LEU  22          1HD1      LEU  22  24.631  -9.670 -13.612
   11   1HD2  LEU  22          3HD2      LEU  22  21.417  -7.869 -13.853
   12   2HD2  LEU  22          2HD2      LEU  22  22.650  -8.737 -14.769
   13   3HD2  LEU  22          1HD2      LEU  22  21.572  -9.620 -13.688
   14    H    ALA  23           H        ALA  23  20.516  -9.395 -10.004
   15    HA   ALA  23           HA       ALA  23  18.808  -8.025  -8.130
   16   1HB   ALA  23          2HB       ALA  23  18.206 -10.195  -9.142
   17   2HB   ALA  23          1HB       ALA  23  19.534 -10.950  -8.264
   18   3HB   ALA  23          3HB       ALA  23  18.186 -10.234  -7.379
   19    H    LYS  24           H        LYS  24  19.264  -9.906  -5.953
   20    HA   LYS  24           HA       LYS  24  20.757  -8.308  -4.264
   21   1HB   LYS  24          2HB       LYS  24  19.105 -10.002  -3.552
   22   2HB   LYS  24          1HB       LYS  24  20.237 -11.271  -3.989
   23   1HG   LYS  24          2HG       LYS  24  21.821 -10.357  -2.314
   24   2HG   LYS  24          1HG       LYS  24  20.575  -9.212  -1.822
   25   1HD   LYS  24          2HD       LYS  24  20.254 -12.213  -1.760
   26   2HD   LYS  24          1HD       LYS  24  20.733 -11.238  -0.374
   27   1HE   LYS  24          2HE       LYS  24  18.433 -11.564  -0.095
   28   2HE   LYS  24          1HE       LYS  24  18.566  -9.938  -0.759
   29   1HZ   LYS  24          2HZ       LYS  24  18.068 -12.304  -2.471
   30   2HZ   LYS  24          1HZ       LYS  24  16.805 -11.434  -1.744
   31   3HZ   LYS  24          3HZ       LYS  24  17.834 -10.670  -2.849
   32    H    GLY  25           H        GLY  25  21.782 -11.155  -6.087
   33   1HA   GLY  25          1HA       GLY  25  23.852 -12.027  -6.538
   34   2HA   GLY  25          2HA       GLY  25  24.291 -11.549  -4.906
   35    H    GLU  26           H        GLU  26  23.261  -9.098  -7.104
   36    HA   GLU  26           HA       GLU  26  25.980  -8.370  -7.843
   37   1HB   GLU  26          2HB       GLU  26  24.186  -8.150  -9.503
   38   2HB   GLU  26          1HB       GLU  26  23.323  -7.053  -8.437
   39   1HG   GLU  26          2HG       GLU  26  24.369  -5.733 -10.084
   40   2HG   GLU  26          1HG       GLU  26  25.283  -5.503  -8.595
   41    H    SER  27           H        SER  27  23.238  -6.561  -6.498
   42    HA   SER  27           HA       SER  27  24.448  -5.617  -4.181
   43   1HB   SER  27          2HB       SER  27  26.034  -4.497  -5.741
   44   2HB   SER  27          1HB       SER  27  24.677  -3.676  -6.508
   45    HG   SER  27           HG       SER  27  25.255  -2.209  -5.069
   46    H    LEU  28           H        LEU  28  23.178  -3.755  -3.265
   47    HA   LEU  28           HA       LEU  28  20.400  -4.095  -3.811
   48   1HB   LEU  28          2HB       LEU  28  21.941  -2.222  -2.031
   49   2HB   LEU  28          1HB       LEU  28  20.208  -2.070  -2.222
   50    HG   LEU  28           HG       LEU  28  20.639  -3.277  -0.205
   51   1HD1  LEU  28          1HD1      LEU  28  19.729  -5.162  -2.363
   52   2HD1  LEU  28          3HD1      LEU  28  19.466  -5.373  -0.631
   53   3HD1  LEU  28          2HD1      LEU  28  18.723  -4.014  -1.478
   54   1HD2  LEU  28          3HD2      LEU  28  22.261  -5.192  -1.870
   55   2HD2  LEU  28          2HD2      LEU  28  22.889  -4.055  -0.674
   56   3HD2  LEU  28          1HD2      LEU  28  21.859  -5.395  -0.165
   57    HA   PRO  29           HA       PRO  29  19.432  -1.585  -7.297
   58   1HB   PRO  29          2HB       PRO  29  17.545  -0.473  -5.249
   59   2HB   PRO  29          1HB       PRO  29  17.246  -0.856  -6.951
   60   1HG   PRO  29          2HG       PRO  29  16.604  -2.545  -4.928
   61   2HG   PRO  29          1HG       PRO  29  17.053  -3.100  -6.547
   62   1HD   PRO  29          2HD       PRO  29  18.499  -3.423  -4.053
   63   2HD   PRO  29          1HD       PRO  29  18.856  -4.117  -5.645
   64    HA   PRO  30           HA       PRO  30  22.115   1.937  -6.262
   65   1HB   PRO  30          2HB       PRO  30  21.944   2.858  -8.908
   66   2HB   PRO  30          1HB       PRO  30  23.224   1.868  -8.208
   67   1HG   PRO  30          2HG       PRO  30  20.887   1.061  -9.849
   68   2HG   PRO  30          1HG       PRO  30  22.508   0.351  -9.768
   69   1HD   PRO  30          2HD       PRO  30  20.379  -0.822  -8.626
   70   2HD   PRO  30          1HD       PRO  30  21.999  -0.913  -7.906
   71    HA   PRO  31           HA       PRO  31  18.533   5.042  -8.102
   72   1HB   PRO  31          2HB       PRO  31  16.473   3.135  -7.047
   73   2HB   PRO  31          1HB       PRO  31  16.320   4.368  -8.307
   74   1HG   PRO  31          2HG       PRO  31  16.631   1.817  -8.963
   75   2HG   PRO  31          1HG       PRO  31  17.456   3.092  -9.876
   76   1HD   PRO  31          2HD       PRO  31  18.562   1.133  -7.938
   77   2HD   PRO  31          1HD       PRO  31  19.345   1.924  -9.321
   78    HA   PRO  32           HA       PRO  32  18.770   6.685  -4.030
   79   1HB   PRO  32          2HB       PRO  32  16.871   8.665  -4.265
   80   2HB   PRO  32          1HB       PRO  32  18.525   8.787  -4.868
   81   1HG   PRO  32          2HG       PRO  32  16.019   8.090  -6.340
   82   2HG   PRO  32          1HG       PRO  32  17.367   9.122  -6.849
   83   1HD   PRO  32          2HD       PRO  32  17.109   6.613  -7.752
   84   2HD   PRO  32          1HD       PRO  32  18.705   7.316  -7.409
   85    H    GLU  33           H        GLU  33  17.536   7.132  -2.106
   86    HA   GLU  33           HA       GLU  33  16.122   6.516  -0.448
   87   1HB   GLU  33          2HB       GLU  33  14.168   5.937  -2.688
   88   2HB   GLU  33          1HB       GLU  33  13.763   5.954  -0.979
   89   1HG   GLU  33          2HG       GLU  33  14.441   8.344  -0.907
   90   2HG   GLU  33          1HG       GLU  33  14.659   8.285  -2.656
   91    H    ASN  34           H        ASN  34  14.372   4.423  -0.141
   92    HA   ASN  34           HA       ASN  34  15.977   2.081  -0.934
   93   1HB   ASN  34          2HB       ASN  34  16.067   2.565   1.514
   94   2HB   ASN  34          1HB       ASN  34  14.316   2.397   1.582
   95   1HD2  ASN  34          1HD2      ASN  34  14.527   0.706   3.082
   96   2HD2  ASN  34          2HD2      ASN  34  15.031  -0.882   2.593
   97    HA   PRO  35           HA       PRO  35  12.584   0.816  -3.520
   98   1HB   PRO  35          2HB       PRO  35  12.989  -1.897  -2.596
   99   2HB   PRO  35          1HB       PRO  35  13.360  -1.196  -4.171
  100   1HG   PRO  35          2HG       PRO  35  15.118  -1.640  -1.858
  101   2HG   PRO  35          1HG       PRO  35  15.539  -1.404  -3.562
  102   1HD   PRO  35          2HD       PRO  35  16.042   0.472  -1.704
  103   2HD   PRO  35          1HD       PRO  35  15.565   0.906  -3.360
  104    H    MET  36           H        MET  36  12.831  -0.498  -0.217
  105    HA   MET  36           HA       MET  36   9.901  -0.579  -0.143
  106   1HB   MET  36          2HB       MET  36  10.153  -1.967   1.906
  107   2HB   MET  36          1HB       MET  36  10.837  -2.703   0.465
  108   1HG   MET  36          2HG       MET  36  13.064  -2.103   1.174
  109   2HG   MET  36          1HG       MET  36  12.415  -1.256   2.577
  110   1HE   MET  36          1HE       MET  36  11.127  -4.656   1.074
  111   2HE   MET  36          3HE       MET  36  12.871  -4.748   0.830
  112   3HE   MET  36          2HE       MET  36  12.082  -5.824   1.985
  113    H    SER  37           H        SER  37   9.712   1.676   0.075
  114    HA   SER  37           HA       SER  37  10.625   3.006   2.452
  115   1HB   SER  37          2HB       SER  37  10.054   4.198   0.323
  116   2HB   SER  37          1HB       SER  37   8.363   3.759   0.568
  117    HG   SER  37           HG       SER  37   9.604   5.875   1.484
  118    H    ALA  38           H        ALA  38   8.934   3.905   4.061
  119    HA   ALA  38           HA       ALA  38   7.473   1.735   5.159
  120   1HB   ALA  38          3HB       ALA  38   7.186   4.675   5.778
  121   2HB   ALA  38          2HB       ALA  38   6.627   3.333   6.777
  122   3HB   ALA  38          1HB       ALA  38   8.355   3.589   6.534
  123    H    ASP  39           H        ASP  39   6.677   4.534   3.223
  124    HA   ASP  39           HA       ASP  39   3.895   4.039   3.122
  125   1HB   ASP  39          2HB       ASP  39   5.729   5.645   1.348
  126   2HB   ASP  39          1HB       ASP  39   3.998   5.523   1.050
  127    H    ARG  40           H        ARG  40   6.647   3.063   1.184
  128    HA   ARG  40           HA       ARG  40   5.195   1.948  -0.948
  129   1HB   ARG  40          2HB       ARG  40   7.565   2.435  -1.203
  130   2HB   ARG  40          1HB       ARG  40   7.968   1.257   0.041
  131   1HG   ARG  40          2HG       ARG  40   8.387   0.350  -2.169
  132   2HG   ARG  40          1HG       ARG  40   7.086  -0.536  -1.368
  133   1HD   ARG  40          2HD       ARG  40   5.553   1.172  -2.618
  134   2HD   ARG  40          1HD       ARG  40   6.957   1.368  -3.666
  135    HE   ARG  40           HE       ARG  40   6.207  -1.382  -3.250
  136   1HH1  ARG  40          1HH1      ARG  40   5.713   1.479  -5.219
  137   2HH1  ARG  40          2HH1      ARG  40   5.017   0.594  -6.551
  138   1HH2  ARG  40          1HH2      ARG  40   5.288  -2.542  -4.958
  139   2HH2  ARG  40          2HH2      ARG  40   4.751  -1.700  -6.392
  140    H    VAL  41           H        VAL  41   6.523   0.514   2.022
  141    HA   VAL  41           HA       VAL  41   5.804  -2.140   1.533
  142    HB   VAL  41           HB       VAL  41   5.963  -0.673   4.174
  143   1HG1  VAL  41          3HG1      VAL  41   5.827  -3.640   3.634
  144   2HG1  VAL  41          2HG1      VAL  41   6.169  -2.905   5.200
  145   3HG1  VAL  41          1HG1      VAL  41   4.597  -2.666   4.437
  146   1HG2  VAL  41          2HG2      VAL  41   8.060  -0.726   2.918
  147   2HG2  VAL  41          1HG2      VAL  41   8.155  -1.736   4.359
  148   3HG2  VAL  41          3HG2      VAL  41   7.936  -2.478   2.775
  149    H    ARG  42           H        ARG  42   3.951   0.502   2.991
  150    HA   ARG  42           HA       ARG  42   1.646  -1.012   3.574
  151   1HB   ARG  42          2HB       ARG  42   1.981   1.934   3.010
  152   2HB   ARG  42          1HB       ARG  42   0.473   1.205   3.555
  153   1HG   ARG  42          2HG       ARG  42   1.737   0.352   5.552
  154   2HG   ARG  42          1HG       ARG  42   3.081   1.369   5.032
  155   1HD   ARG  42          2HD       ARG  42   0.306   2.410   5.517
  156   2HD   ARG  42          1HD       ARG  42   1.546   2.361   6.767
  157    HE   ARG  42           HE       ARG  42   2.096   3.808   4.273
  158   1HH1  ARG  42          1HH1      ARG  42   1.451   3.823   7.709
  159   2HH1  ARG  42          2HH1      ARG  42   1.974   5.463   7.936
  160   1HH2  ARG  42          1HH2      ARG  42   2.789   6.002   4.558
  161   2HH2  ARG  42          2HH2      ARG  42   2.736   6.701   6.152
  162    H    TRP  43           H        TRP  43   2.487   1.012   0.771
  163    HA   TRP  43           HA       TRP  43   0.112   0.593  -0.674
  164   1HB   TRP  43          2HB       TRP  43   2.620   1.893  -1.088
  165   2HB   TRP  43          1HB       TRP  43   2.286   0.892  -2.498
  166    HD1  TRP  43           HD1      TRP  43   2.045   4.263  -1.945
  167    HE1  TRP  43           HE1      TRP  43  -0.027   5.378  -2.964
  168    HE3  TRP  43           HE3      TRP  43  -0.889   0.136  -2.531
  169    HZ2  TRP  43           HZ2      TRP  43  -2.581   4.621  -3.859
  170    HZ3  TRP  43           HZ3      TRP  43  -3.143   0.424  -3.454
  171    HH2  TRP  43           HH2      TRP  43  -3.963   2.617  -4.088
  172    H    GLU  44           H        GLU  44   3.114  -1.213  -0.523
  173    HA   GLU  44           HA       GLU  44   2.721  -2.970  -2.657
  174   1HB   GLU  44          2HB       GLU  44   4.800  -2.615  -1.192
  175   2HB   GLU  44          1HB       GLU  44   4.048  -3.725  -0.056
  176   1HG   GLU  44          2HG       GLU  44   5.625  -4.913  -1.413
  177   2HG   GLU  44          1HG       GLU  44   3.991  -5.443  -1.821
  178    H    HIS  45           H        HIS  45   1.468  -2.960   0.617
  179    HA   HIS  45           HA       HIS  45   0.452  -5.656   0.458
  180   1HB   HIS  45          2HB       HIS  45   1.231  -4.414   2.571
  181   2HB   HIS  45          1HB       HIS  45  -0.297  -3.549   2.491
  182    HD1  HIS  45           HD1      HIS  45   1.202  -6.364   4.040
  183    HD2  HIS  45           HD2      HIS  45  -2.580  -5.575   2.481
  184    HE1  HIS  45           HE1      HIS  45  -0.344  -7.994   5.162
  185    HE2  HIS  45           HE2      HIS  45  -2.642  -7.299   4.415
  186    H    ILE  46           H        ILE  46  -0.654  -2.389  -0.036
  187    HA   ILE  46           HA       ILE  46  -3.441  -2.931  -0.097
  188    HB   ILE  46           HB       ILE  46  -2.058  -0.688  -1.557
  189   1HG1  ILE  46          2HG1      ILE  46  -2.971  -0.740   1.320
  190   2HG1  ILE  46          1HG1      ILE  46  -1.289  -0.817   0.800
  191   1HG2  ILE  46          3HG2      ILE  46  -4.478  -1.063  -1.979
  192   2HG2  ILE  46          2HG2      ILE  46  -4.767  -0.834  -0.247
  193   3HG2  ILE  46          1HG2      ILE  46  -4.122   0.493  -1.222
  194   1HD1  ILE  46          2HD1      ILE  46  -3.147   1.443   0.144
  195   2HD1  ILE  46          1HD1      ILE  46  -2.048   1.424   1.530
  196   3HD1  ILE  46          3HD1      ILE  46  -1.407   1.370  -0.111
  197    H    GLN  47           H        GLN  47  -0.889  -3.035  -2.480
  198    HA   GLN  47           HA       GLN  47  -2.654  -3.160  -4.733
  199   1HB   GLN  47          2HB       GLN  47   0.273  -3.837  -4.450
  200   2HB   GLN  47          1HB       GLN  47  -0.596  -3.884  -5.976
  201   1HG   GLN  47          2HG       GLN  47  -0.205  -1.452  -4.254
  202   2HG   GLN  47          1HG       GLN  47   0.707  -1.843  -5.707
  203   1HE2  GLN  47          1HE2      GLN  47  -0.887   0.494  -5.136
  204   2HE2  GLN  47          2HE2      GLN  47  -2.121   0.566  -6.346
  205    H    ARG  48           H        ARG  48  -0.691  -5.511  -2.954
  206    HA   ARG  48           HA       ARG  48  -1.393  -7.740  -4.474
  207   1HB   ARG  48          2HB       ARG  48  -0.676  -9.075  -2.493
  208   2HB   ARG  48          1HB       ARG  48   0.498  -7.877  -3.025
  209   1HG   ARG  48          2HG       ARG  48   0.604  -7.478  -0.820
  210   2HG   ARG  48          1HG       ARG  48  -0.782  -6.445  -1.179
  211   1HD   ARG  48          2HD       ARG  48  -1.389  -7.730   0.700
  212   2HD   ARG  48          1HD       ARG  48  -2.238  -8.435  -0.676
  213    HE   ARG  48           HE       ARG  48   0.086  -9.582   0.713
  214   1HH1  ARG  48          1HH1      ARG  48  -2.493  -9.935  -1.649
  215   2HH1  ARG  48          2HH1      ARG  48  -2.262 -11.651  -1.816
  216   1HH2  ARG  48          1HH2      ARG  48   0.352 -11.824   0.521
  217   2HH2  ARG  48          2HH2      ARG  48  -0.685 -12.729  -0.548
  218    H    ILE  49           H        ILE  49  -3.124  -6.163  -1.849
  219    HA   ILE  49           HA       ILE  49  -5.083  -8.311  -1.770
  220    HB   ILE  49           HB       ILE  49  -4.629  -7.236   0.336
  221   1HG1  ILE  49          2HG1      ILE  49  -6.871  -6.696   1.066
  222   2HG1  ILE  49          1HG1      ILE  49  -7.362  -6.335  -0.587
  223   1HG2  ILE  49          3HG2      ILE  49  -3.900  -5.088  -0.552
  224   2HG2  ILE  49          2HG2      ILE  49  -5.584  -4.684  -0.907
  225   3HG2  ILE  49          1HG2      ILE  49  -5.066  -4.918   0.763
  226   1HD1  ILE  49          3HD1      ILE  49  -6.345  -9.045   0.120
  227   2HD1  ILE  49          2HD1      ILE  49  -8.018  -8.595   0.466
  228   3HD1  ILE  49          1HD1      ILE  49  -7.412  -8.562  -1.193
  229    H    TYR  50           H        TYR  50  -4.799  -5.054  -3.087
  230    HA   TYR  50           HA       TYR  50  -7.446  -4.681  -3.915
  231   1HB   TYR  50          2HB       TYR  50  -5.250  -3.157  -4.001
  232   2HB   TYR  50          1HB       TYR  50  -5.226  -3.729  -5.663
  233    HD1  TYR  50           HD1      TYR  50  -6.062  -2.176  -7.139
  234    HD2  TYR  50           HD2      TYR  50  -7.883  -2.542  -3.310
  235    HE1  TYR  50           HE1      TYR  50  -7.676  -0.422  -7.744
  236    HE2  TYR  50           HE2      TYR  50  -9.510  -0.800  -3.909
  237    HH   TYR  50           HH       TYR  50  -9.714   1.072  -5.456
  238    H    GLU  51           H        GLU  51  -4.736  -6.343  -5.389
  239    HA   GLU  51           HA       GLU  51  -6.093  -7.108  -7.777
  240   1HB   GLU  51          2HB       GLU  51  -3.667  -8.299  -6.431
  241   2HB   GLU  51          1HB       GLU  51  -4.201  -8.663  -8.065
  242   1HG   GLU  51          2HG       GLU  51  -3.861  -6.293  -8.672
  243   2HG   GLU  51          1HG       GLU  51  -3.240  -5.989  -7.049
  244    H    MET  52           H        MET  52  -5.756  -8.512  -4.580
  245    HA   MET  52           HA       MET  52  -6.429 -11.168  -5.142
  246   1HB   MET  52          2HB       MET  52  -6.668  -9.482  -2.678
  247   2HB   MET  52          1HB       MET  52  -7.346 -11.101  -2.700
  248   1HG   MET  52          2HG       MET  52  -4.470 -10.395  -3.210
  249   2HG   MET  52          1HG       MET  52  -5.129 -11.040  -1.706
  250   1HE   MET  52          1HE       MET  52  -6.155 -13.479  -1.474
  251   2HE   MET  52          3HE       MET  52  -7.260 -13.151  -2.808
  252   3HE   MET  52          2HE       MET  52  -6.282 -14.621  -2.809
  253    H    CYS  53           H        CYS  53  -8.573  -8.614  -3.883
  254    HA   CYS  53           HA       CYS  53 -10.822 -10.419  -4.444
  255   1HB   CYS  53          2HB       CYS  53 -10.329  -9.519  -2.079
  256   2HB   CYS  53          1HB       CYS  53 -10.958  -7.987  -2.674
  257    HG   CYS  53           HG       CYS  53 -12.696 -10.029  -1.162
  258    H    ASP  54           H        ASP  54  -9.397  -8.464  -6.259
  259    HA   ASP  54           HA       ASP  54  -9.910  -7.138  -8.021
  260   1HB   ASP  54          2HB       ASP  54 -11.403  -9.020  -8.535
  261   2HB   ASP  54          1HB       ASP  54 -12.682  -8.266  -7.592
  262    H    ARG  55           H        ARG  55  -9.468  -5.396  -6.447
  263    HA   ARG  55           HA       ARG  55  -9.805  -3.252  -5.837
  264   1HB   ARG  55          2HB       ARG  55 -12.052  -3.560  -7.802
  265   2HB   ARG  55          1HB       ARG  55 -11.768  -2.048  -6.948
  266   1HG   ARG  55          2HG       ARG  55  -9.412  -2.125  -7.829
  267   2HG   ARG  55          1HG       ARG  55  -9.941  -3.454  -8.867
  268   1HD   ARG  55          2HD       ARG  55 -11.511  -2.076  -9.980
  269   2HD   ARG  55          1HD       ARG  55 -11.328  -0.792  -8.785
  270    HE   ARG  55           HE       ARG  55  -8.847  -0.957  -9.779
  271   1HH1  ARG  55          1HH1      ARG  55 -11.950  -0.849 -11.407
  272   2HH1  ARG  55          2HH1      ARG  55 -11.329   0.025 -12.779
  273   1HH2  ARG  55          1HH2      ARG  55  -8.043   0.190 -11.561
  274   2HH2  ARG  55          2HH2      ARG  55  -9.110   0.622 -12.863
  275    H    ASN  56           H        ASN  56 -11.260  -5.524  -4.391
  276    HA   ASN  56           HA       ASN  56 -13.507  -4.217  -3.183
  277   1HB   ASN  56          2HB       ASN  56 -13.326  -6.684  -3.282
  278   2HB   ASN  56          1HB       ASN  56 -11.928  -6.617  -2.216
  279   1HD2  ASN  56          1HD2      ASN  56 -14.626  -7.868  -1.968
  280   2HD2  ASN  56          2HD2      ASN  56 -15.243  -7.287  -0.457
  281    H    VAL  57           H        VAL  57 -12.944  -2.296  -2.340
  282    HA   VAL  57           HA       VAL  57 -10.558  -1.676  -1.001
  283    HB   VAL  57           HB       VAL  57 -13.239  -0.307  -0.719
  284   1HG1  VAL  57          1HG1      VAL  57 -10.442   0.717  -0.248
  285   2HG1  VAL  57          3HG1      VAL  57 -11.913   1.686  -0.183
  286   3HG1  VAL  57          2HG1      VAL  57 -11.657   0.393   0.987
  287   1HG2  VAL  57          2HG2      VAL  57 -12.587  -0.511  -3.063
  288   2HG2  VAL  57          1HG2      VAL  57 -12.484   1.164  -2.522
  289   3HG2  VAL  57          3HG2      VAL  57 -11.017   0.203  -2.695
  290    H    SER  58           H        SER  58 -13.629  -2.917   0.140
  291    HA   SER  58           HA       SER  58 -13.372  -2.408   2.876
  292   1HB   SER  58          2HB       SER  58 -14.717  -4.796   1.589
  293   2HB   SER  58          1HB       SER  58 -15.068  -4.115   3.179
  294    HG   SER  58           HG       SER  58 -15.573  -3.008   0.621
  295    H    GLU  59           H        GLU  59 -12.507  -5.354   1.043
  296    HA   GLU  59           HA       GLU  59 -11.315  -6.659   3.264
  297   1HB   GLU  59          2HB       GLU  59 -12.051  -7.848   1.192
  298   2HB   GLU  59          1HB       GLU  59 -10.727  -7.089   0.321
  299   1HG   GLU  59          2HG       GLU  59  -9.969  -9.246   0.826
  300   2HG   GLU  59          1HG       GLU  59  -9.168  -8.206   2.004
  301    H    THR  60           H        THR  60 -10.111  -4.542   0.747
  302    HA   THR  60           HA       THR  60  -7.382  -4.897   1.149
  303    HB   THR  60           HB       THR  60  -8.734  -2.316   0.333
  304    HG1  THR  60           HG1      THR  60  -9.399  -4.023  -1.024
  305   1HG2  THR  60          3HG2      THR  60  -6.341  -2.105   0.868
  306   2HG2  THR  60          2HG2      THR  60  -5.983  -3.421  -0.253
  307   3HG2  THR  60          1HG2      THR  60  -6.641  -1.900  -0.860
  308    H    ALA  61           H        ALA  61  -9.469  -2.330   2.510
  309    HA   ALA  61           HA       ALA  61  -7.589  -1.154   4.233
  310   1HB   ALA  61          1HB       ALA  61 -10.572  -1.484   4.627
  311   2HB   ALA  61          3HB       ALA  61  -9.534  -0.331   5.473
  312   3HB   ALA  61          2HB       ALA  61  -9.778  -0.185   3.732
  313    H    ARG  62           H        ARG  62  -9.739  -3.945   4.754
  314    HA   ARG  62           HA       ARG  62  -9.166  -4.199   7.525
  315   1HB   ARG  62          2HB       ARG  62 -11.179  -5.179   6.778
  316   2HB   ARG  62          1HB       ARG  62 -10.378  -6.032   5.469
  317   1HG   ARG  62          2HG       ARG  62  -9.587  -6.724   8.246
  318   2HG   ARG  62          1HG       ARG  62 -11.171  -7.255   7.677
  319   1HD   ARG  62          2HD       ARG  62 -10.165  -8.399   5.806
  320   2HD   ARG  62          1HD       ARG  62  -8.576  -7.772   6.236
  321    HE   ARG  62           HE       ARG  62  -8.907  -9.122   8.363
  322   1HH1  ARG  62          1HH1      ARG  62 -10.355  -9.992   5.299
  323   2HH1  ARG  62          2HH1      ARG  62 -10.329 -11.700   5.633
  324   1HH2  ARG  62          1HH2      ARG  62  -8.816 -11.349   8.791
  325   2HH2  ARG  62          2HH2      ARG  62  -9.414 -12.482   7.611
  326    H    ARG  63           H        ARG  63  -7.890  -5.732   4.624
  327    HA   ARG  63           HA       ARG  63  -6.124  -7.488   6.046
  328   1HB   ARG  63          2HB       ARG  63  -7.182  -7.871   3.778
  329   2HB   ARG  63          1HB       ARG  63  -6.057  -6.691   3.133
  330   1HG   ARG  63          2HG       ARG  63  -4.246  -8.099   3.366
  331   2HG   ARG  63          1HG       ARG  63  -5.039  -9.082   4.604
  332   1HD   ARG  63          2HD       ARG  63  -6.388 -10.175   3.049
  333   2HD   ARG  63          1HD       ARG  63  -6.160  -8.919   1.840
  334    HE   ARG  63           HE       ARG  63  -3.747  -9.817   1.844
  335   1HH1  ARG  63          1HH1      ARG  63  -6.640 -11.742   2.296
  336   2HH1  ARG  63          2HH1      ARG  63  -5.952 -13.172   1.581
  337   1HH2  ARG  63          1HH2      ARG  63  -2.831 -11.712   0.926
  338   2HH2  ARG  63          2HH2      ARG  63  -3.789 -13.159   0.804
  339    H    LEU  64           H        LEU  64  -6.041  -4.262   4.911
  340    HA   LEU  64           HA       LEU  64  -3.168  -3.944   5.113
  341   1HB   LEU  64          2HB       LEU  64  -5.476  -2.314   4.280
  342   2HB   LEU  64          1HB       LEU  64  -4.205  -1.418   5.084
  343    HG   LEU  64           HG       LEU  64  -3.997  -1.371   2.631
  344   1HD1  LEU  64          2HD1      LEU  64  -1.802  -2.878   4.069
  345   2HD1  LEU  64          1HD1      LEU  64  -1.623  -1.998   2.552
  346   3HD1  LEU  64          3HD1      LEU  64  -2.014  -1.127   4.034
  347   1HD2  LEU  64          1HD2      LEU  64  -3.788  -4.346   3.008
  348   2HD2  LEU  64          3HD2      LEU  64  -4.869  -3.442   1.945
  349   3HD2  LEU  64          2HD2      LEU  64  -3.143  -3.525   1.588
  350    H    ASN  65           H        ASN  65  -5.775  -4.041   7.203
  351    HA   ASN  65           HA       ASN  65  -6.021  -3.724   9.428
  352   1HB   ASN  65          2HB       ASN  65  -3.084  -2.984   9.380
  353   2HB   ASN  65          1HB       ASN  65  -4.040  -3.217  10.838
  354   1HD2  ASN  65          1HD2      ASN  65  -5.535  -5.461   9.712
  355   2HD2  ASN  65          2HD2      ASN  65  -4.443  -6.799   9.703
  356    H    MET  66           H        MET  66  -6.522  -1.694   7.455
  357    HA   MET  66           HA       MET  66  -6.390   0.632   9.234
  358   1HB   MET  66          2HB       MET  66  -6.388   2.031   7.090
  359   2HB   MET  66          1HB       MET  66  -4.883   1.324   7.634
  360   1HG   MET  66          2HG       MET  66  -5.868  -0.534   5.875
  361   2HG   MET  66          1HG       MET  66  -6.341   1.021   5.168
  362   1HE   MET  66          2HE       MET  66  -4.913   2.812   4.402
  363   2HE   MET  66          1HE       MET  66  -3.316   2.476   3.721
  364   3HE   MET  66          3HE       MET  66  -4.718   1.579   3.149
  365    H    HIS  67           H        HIS  67  -7.904   2.335   8.577
  366    HA   HIS  67           HA       HIS  67 -10.554   1.216   8.656
  367   1HB   HIS  67          2HB       HIS  67  -9.492   3.181   9.988
  368   2HB   HIS  67          1HB       HIS  67  -9.823   4.135   8.551
  369    HD1  HIS  67           HD1      HIS  67 -11.863   5.458   8.838
  370    HD2  HIS  67           HD2      HIS  67 -12.128   1.805  10.801
  371    HE1  HIS  67           HE1      HIS  67 -14.127   5.438   9.924
  372    HE2  HIS  67           HE2      HIS  67 -14.138   3.348  11.325
  373    H    ARG  68           H        ARG  68 -12.301   2.089   7.235
  374    HA   ARG  68           HA       ARG  68 -11.860   1.652   4.547
  375   1HB   ARG  68          2HB       ARG  68 -14.087   1.693   5.599
  376   2HB   ARG  68          1HB       ARG  68 -13.976   3.440   5.755
  377   1HG   ARG  68          2HG       ARG  68 -15.337   2.984   3.869
  378   2HG   ARG  68          1HG       ARG  68 -13.786   3.564   3.262
  379   1HD   ARG  68          2HD       ARG  68 -14.568   1.652   1.970
  380   2HD   ARG  68          1HD       ARG  68 -13.087   1.258   2.844
  381    HE   ARG  68           HE       ARG  68 -14.357  -0.064   4.355
  382   1HH1  ARG  68          1HH1      ARG  68 -16.163   1.126   1.599
  383   2HH1  ARG  68          2HH1      ARG  68 -17.513   0.058   1.861
  384   1HH2  ARG  68          1HH2      ARG  68 -16.121  -1.474   4.689
  385   2HH2  ARG  68          2HH2      ARG  68 -17.469  -1.447   3.600
  386    H    ARG  69           H        ARG  69 -12.108   4.811   6.162
  387    HA   ARG  69           HA       ARG  69 -11.771   6.338   3.822
  388   1HB   ARG  69          2HB       ARG  69 -11.194   7.128   6.680
  389   2HB   ARG  69          1HB       ARG  69 -11.389   8.234   5.325
  390   1HG   ARG  69          2HG       ARG  69 -13.501   6.401   6.448
  391   2HG   ARG  69          1HG       ARG  69 -13.415   8.153   6.644
  392   1HD   ARG  69          2HD       ARG  69 -13.869   8.536   4.368
  393   2HD   ARG  69          1HD       ARG  69 -13.535   6.860   3.934
  394    HE   ARG  69           HE       ARG  69 -15.702   6.989   5.757
  395   1HH1  ARG  69          1HH1      ARG  69 -14.907   7.726   2.416
  396   2HH1  ARG  69          2HH1      ARG  69 -16.515   7.388   1.832
  397   1HH2  ARG  69          1HH2      ARG  69 -17.799   6.540   4.989
  398   2HH2  ARG  69          2HH2      ARG  69 -18.149   6.692   3.295
  399    H    THR  70           H        THR  70  -9.502   4.878   6.020
  400    HA   THR  70           HA       THR  70  -7.171   6.227   5.231
  401    HB   THR  70           HB       THR  70  -7.234   3.325   5.993
  402    HG1  THR  70           HG1      THR  70  -7.105   4.308   8.217
  403   1HG2  THR  70          1HG2      THR  70  -5.068   4.349   5.379
  404   2HG2  THR  70          3HG2      THR  70  -5.310   5.571   6.629
  405   3HG2  THR  70          2HG2      THR  70  -5.121   3.875   7.079
  406    H    LEU  71           H        LEU  71  -8.401   3.068   4.142
  407    HA   LEU  71           HA       LEU  71  -6.522   2.641   2.119
  408   1HB   LEU  71          2HB       LEU  71  -8.547   1.203   3.159
  409   2HB   LEU  71          1HB       LEU  71  -9.317   1.722   1.674
  410    HG   LEU  71           HG       LEU  71  -8.338  -0.492   1.425
  411   1HD1  LEU  71          3HD1      LEU  71  -6.866   1.621  -0.127
  412   2HD1  LEU  71          2HD1      LEU  71  -6.950  -0.087  -0.555
  413   3HD1  LEU  71          1HD1      LEU  71  -8.416   0.893  -0.545
  414   1HD2  LEU  71          3HD2      LEU  71  -6.524  -0.102   3.123
  415   2HD2  LEU  71          2HD2      LEU  71  -6.022  -0.948   1.658
  416   3HD2  LEU  71          1HD2      LEU  71  -5.643   0.763   1.865
  417    H    GLN  72           H        GLN  72  -9.728   4.180   1.948
  418    HA   GLN  72           HA       GLN  72  -9.783   4.750  -0.787
  419   1HB   GLN  72          2HB       GLN  72 -11.722   5.020   0.706
  420   2HB   GLN  72          1HB       GLN  72 -10.932   6.390   1.475
  421   1HG   GLN  72          2HG       GLN  72 -12.501   7.284  -0.038
  422   2HG   GLN  72          1HG       GLN  72 -10.916   7.512  -0.775
  423   1HE2  GLN  72          1HE2      GLN  72 -13.460   7.499  -2.083
  424   2HE2  GLN  72          2HE2      GLN  72 -13.449   6.190  -3.215
  425    H    ARG  73           H        ARG  73  -8.438   6.696   1.875
  426    HA   ARG  73           HA       ARG  73  -7.787   8.868   0.166
  427   1HB   ARG  73          2HB       ARG  73  -6.928   8.177   2.956
  428   2HB   ARG  73          1HB       ARG  73  -6.349   9.611   2.113
  429   1HG   ARG  73          2HG       ARG  73  -8.715  10.286   1.777
  430   2HG   ARG  73          1HG       ARG  73  -9.193   8.930   2.800
  431   1HD   ARG  73          2HD       ARG  73  -7.404  11.211   3.598
  432   2HD   ARG  73          1HD       ARG  73  -9.090  11.009   4.067
  433    HE   ARG  73           HE       ARG  73  -7.056   9.022   4.821
  434   1HH1  ARG  73          1HH1      ARG  73  -9.575  11.295   5.672
  435   2HH1  ARG  73          2HH1      ARG  73  -9.613  10.817   7.351
  436   1HH2  ARG  73          1HH2      ARG  73  -7.097   8.388   7.034
  437   2HH2  ARG  73          2HH2      ARG  73  -8.224   9.149   8.113
  438    H    ILE  74           H        ILE  74  -6.034   5.987   1.145
  439    HA   ILE  74           HA       ILE  74  -3.551   6.874   0.057
  440    HB   ILE  74           HB       ILE  74  -4.587   4.206   0.921
  441   1HG1  ILE  74          2HG1      ILE  74  -2.233   4.355   2.084
  442   2HG1  ILE  74          1HG1      ILE  74  -2.375   6.068   1.710
  443   1HG2  ILE  74          3HG2      ILE  74  -3.439   3.813  -1.223
  444   2HG2  ILE  74          2HG2      ILE  74  -1.981   4.558  -0.557
  445   3HG2  ILE  74          1HG2      ILE  74  -2.621   3.071   0.149
  446   1HD1  ILE  74          1HD1      ILE  74  -4.480   6.139   2.977
  447   2HD1  ILE  74          3HD1      ILE  74  -4.266   4.432   3.391
  448   3HD1  ILE  74          2HD1      ILE  74  -3.102   5.637   3.958
  449    H    LEU  75           H        LEU  75  -6.226   4.883  -1.213
  450    HA   LEU  75           HA       LEU  75  -5.180   4.448  -3.797
  451   1HB   LEU  75          2HB       LEU  75  -8.081   4.894  -3.047
  452   2HB   LEU  75          1HB       LEU  75  -7.502   4.141  -4.517
  453    HG   LEU  75           HG       LEU  75  -7.163   3.003  -1.743
  454   1HD1  LEU  75          3HD1      LEU  75  -9.498   3.030  -2.450
  455   2HD1  LEU  75          2HD1      LEU  75  -9.056   2.230  -3.958
  456   3HD1  LEU  75          1HD1      LEU  75  -8.858   1.386  -2.420
  457   1HD2  LEU  75          2HD2      LEU  75  -6.513   1.915  -4.477
  458   2HD2  LEU  75          1HD2      LEU  75  -5.392   2.250  -3.159
  459   3HD2  LEU  75          3HD2      LEU  75  -6.561   0.941  -3.006
  460    H    ALA  76           H        ALA  76  -7.155   7.031  -2.432
  461    HA   ALA  76           HA       ALA  76  -7.460   8.469  -4.882
  462   1HB   ALA  76          1HB       ALA  76  -8.745   9.988  -3.616
  463   2HB   ALA  76          3HB       ALA  76  -9.044   8.401  -2.887
  464   3HB   ALA  76          2HB       ALA  76  -7.936   9.540  -2.114
  465    H    LYS  77           H        LYS  77  -4.951   8.232  -2.653
  466    HA   LYS  77           HA       LYS  77  -3.905  10.867  -2.741
  467   1HB   LYS  77          2HB       LYS  77  -3.331   9.223  -0.998
  468   2HB   LYS  77          1HB       LYS  77  -2.533   8.220  -2.195
  469   1HG   LYS  77          2HG       LYS  77  -1.589  11.017  -1.812
  470   2HG   LYS  77          1HG       LYS  77  -1.172   9.795  -0.608
  471   1HD   LYS  77          2HD       LYS  77  -0.262   8.387  -2.443
  472   2HD   LYS  77          1HD       LYS  77  -0.567   9.720  -3.561
  473   1HE   LYS  77          2HE       LYS  77   0.899  11.151  -2.154
  474   2HE   LYS  77          1HE       LYS  77   1.283   9.730  -1.181
  475   1HZ   LYS  77          3HZ       LYS  77   2.107   8.664  -3.230
  476   2HZ   LYS  77          2HZ       LYS  77   1.856  10.123  -4.068
  477   3HZ   LYS  77          1HZ       LYS  77   2.992  10.049  -2.802
  478    H    ARG  78           H        ARG  78  -4.041   8.348  -4.995
  479    HA   ARG  78           HA       ARG  78  -1.586   8.874  -6.389
  480   1HB   ARG  78          2HB       ARG  78  -3.999   7.241  -7.159
  481   2HB   ARG  78          1HB       ARG  78  -2.463   7.254  -8.021
  482   1HG   ARG  78          2HG       ARG  78  -1.351   6.448  -5.973
  483   2HG   ARG  78          1HG       ARG  78  -2.932   6.338  -5.195
  484   1HD   ARG  78          2HD       ARG  78  -2.110   4.901  -7.700
  485   2HD   ARG  78          1HD       ARG  78  -2.173   4.184  -6.091
  486    HE   ARG  78           HE       ARG  78  -4.685   5.283  -6.646
  487   1HH1  ARG  78          1HH1      ARG  78  -2.615   2.677  -7.752
  488   2HH1  ARG  78          2HH1      ARG  78  -3.935   1.697  -8.321
  489   1HH2  ARG  78          1HH2      ARG  78  -6.437   3.990  -7.387
  490   2HH2  ARG  78          2HH2      ARG  78  -6.103   2.451  -8.124
  491    H    SER  79           H        SER  79  -3.142  11.216  -6.135
  492    HA   SER  79           HA       SER  79  -3.275  11.941  -8.924
  493   1HB   SER  79          2HB       SER  79  -5.619  12.430  -7.088
  494   2HB   SER  79          1HB       SER  79  -5.457  13.071  -8.722
  495    HG   SER  79           HG       SER  79  -5.040  10.446  -8.815
  496    HA   PRO  80           HA       PRO  80  -2.928  15.923  -6.238
  497   1HB   PRO  80          2HB       PRO  80  -2.828  15.047  -3.455
  498   2HB   PRO  80          1HB       PRO  80  -3.891  16.234  -4.212
  499   1HG   PRO  80          2HG       PRO  80  -4.780  13.833  -3.327
  500   2HG   PRO  80          1HG       PRO  80  -5.500  14.673  -4.711
  501   1HD   PRO  80          2HD       PRO  80  -3.553  12.399  -4.682
  502   2HD   PRO  80          1HD       PRO  80  -4.964  12.654  -5.730
  503    H    ARG  81           H        ARG  81  -1.320  12.962  -5.426
  504    HA   ARG  81           HA       ARG  81   1.226  14.372  -5.388
  505   1HB   ARG  81          2HB       ARG  81   0.394  14.178  -3.002
  506   2HB   ARG  81          1HB       ARG  81   0.546  12.434  -3.177
  507   1HG   ARG  81          2HG       ARG  81   2.488  13.294  -2.060
  508   2HG   ARG  81          1HG       ARG  81   2.946  12.723  -3.667
  509   1HD   ARG  81          2HD       ARG  81   2.972  14.975  -4.514
  510   2HD   ARG  81          1HD       ARG  81   2.349  15.598  -2.987
  511    HE   ARG  81           HE       ARG  81   4.868  14.166  -2.827
  512   1HH1  ARG  81          1HH1      ARG  81   3.250  17.259  -3.098
  513   2HH1  ARG  81          2HH1      ARG  81   4.633  18.175  -2.572
  514   1HH2  ARG  81          1HH2      ARG  81   6.668  15.335  -2.135
  515   2HH2  ARG  81          2HH2      ARG  81   6.595  17.069  -1.997

  No H/Q in entry =         515