data_unknown_id # _entry.id unknown_id _entry.author kdidi _entry.date 2026-07-23 _entry.time 10:59:34 # loop_ _entity.id _entity.type _entity.pdbx_description 1 polymer . 2 polymer . # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 polypeptide(L) no no ;NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGN AALQITDVKLQDAGVYRCMISYGGADYKRITVKVN ; ;NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGN AALQITDVKLQDAGVYRCMISYGGADYKRITVKVN ; A ? 2 polypeptide(L) no yes X X B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n ASN 17 1 n ALA 18 1 n PHE 19 1 n THR 20 1 n VAL 21 1 n THR 22 1 n VAL 23 1 n PRO 24 1 n LYS 25 1 n ASP 26 1 n LEU 27 1 n TYR 28 1 n VAL 29 1 n VAL 30 1 n GLU 31 1 n TYR 32 1 n GLY 33 1 n SER 34 1 n ASN 35 1 n MET 36 1 n THR 37 1 n ILE 38 1 n GLU 39 1 n CYS 40 1 n LYS 41 1 n PHE 42 1 n PRO 43 1 n VAL 44 1 n GLU 45 1 n LYS 46 1 n GLN 47 1 n LEU 48 1 n ASP 49 1 n LEU 50 1 n ALA 51 1 n ALA 52 1 n LEU 53 1 n ILE 54 1 n VAL 55 1 n TYR 56 1 n TRP 57 1 n GLU 58 1 n MET 59 1 n GLU 60 1 n ASP 61 1 n LYS 62 1 n ASN 63 1 n ILE 64 1 n ILE 65 1 n GLN 66 1 n PHE 67 1 n VAL 68 1 n HIS 69 1 n GLY 70 1 n GLU 71 1 n GLU 72 1 n ASP 73 1 n LEU 74 1 n LYS 75 1 n VAL 76 1 n GLN 77 1 n HIS 78 1 n SER 79 1 n SER 80 1 n TYR 81 1 n ARG 82 1 n GLN 83 1 n ARG 84 1 n ALA 85 1 n ARG 86 1 n LEU 87 1 n LEU 88 1 n LYS 89 1 n ASP 90 1 n GLN 91 1 n LEU 92 1 n SER 93 1 n LEU 94 1 n GLY 95 1 n ASN 96 1 n ALA 97 1 n ALA 98 1 n LEU 99 1 n GLN 100 1 n ILE 101 1 n THR 102 1 n ASP 103 1 n VAL 104 1 n LYS 105 1 n LEU 106 1 n GLN 107 1 n ASP 108 1 n ALA 109 1 n GLY 110 1 n VAL 111 1 n TYR 112 1 n ARG 113 1 n CYS 114 1 n MET 115 1 n ILE 116 1 n SER 117 1 n TYR 118 1 n GLY 119 1 n GLY 120 1 n ALA 121 1 n ASP 122 1 n TYR 123 1 n LYS 124 1 n ARG 125 1 n ILE 126 1 n THR 127 1 n VAL 128 1 n LYS 129 1 n VAL 130 1 n ASN 131 2 n 50-120 1 # loop_ _chem_comp.id _chem_comp.name _chem_comp.type _chem_comp.formula _chem_comp.mon_nstd_parent_comp_id _chem_comp.pdbx_synonyms _chem_comp.formula_weight 50-120 50-120 NON-POLYMER ? ? ? ? ALA ALA 'L-PEPTIDE LINKING' ? ? ? ? ARG ARG 'L-PEPTIDE LINKING' ? ? ? ? ASN ASN 'L-PEPTIDE LINKING' ? ? ? ? ASP ASP 'L-PEPTIDE LINKING' ? ? ? ? CYS CYS 'L-PEPTIDE LINKING' ? ? ? ? GLN GLN 'L-PEPTIDE LINKING' ? ? ? ? GLU GLU 'L-PEPTIDE LINKING' ? ? ? ? GLY GLY 'PEPTIDE LINKING' ? ? ? ? HIS HIS 'L-PEPTIDE LINKING' ? ? ? ? ILE ILE 'L-PEPTIDE LINKING' ? ? ? ? LEU LEU 'L-PEPTIDE LINKING' ? ? ? ? LYS LYS 'L-PEPTIDE LINKING' ? ? ? ? MET MET 'L-PEPTIDE LINKING' ? ? ? ? PHE PHE 'L-PEPTIDE LINKING' ? ? ? ? PRO PRO 'L-PEPTIDE LINKING' ? ? ? ? SER SER 'L-PEPTIDE LINKING' ? ? ? ? THR THR 'L-PEPTIDE LINKING' ? ? ? ? TRP TRP 'L-PEPTIDE LINKING' ? ? ? ? TYR TYR 'L-PEPTIDE LINKING' ? ? ? ? VAL VAL 'L-PEPTIDE LINKING' ? ? ? ? # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag ALA N CA SING N ALA N H SING N ALA N H2 SING N ALA CA C SING N ALA CA CB SING N ALA CA HA SING N ALA C O DOUB N ALA C OXT SING N ALA CB HB1 SING N ALA CB HB2 SING N ALA CB HB3 SING N ALA OXT HXT SING N ARG N CA SING N ARG N H SING N ARG N H2 SING N ARG CA C SING N ARG CA CB SING N ARG CA HA SING N ARG C O DOUB N ARG C OXT SING N ARG CB CG SING N ARG CB HB2 SING N ARG CB HB3 SING N ARG CG CD SING N ARG CG HG2 SING N ARG CG HG3 SING N ARG CD NE SING N ARG CD HD2 SING N ARG CD HD3 SING N ARG NE CZ SING N ARG NE HE SING N ARG CZ NH1 SING N ARG CZ NH2 DOUB N ARG NH1 HH11 SING N ARG NH1 HH12 SING N ARG NH2 HH21 SING N ARG NH2 HH22 SING N ARG OXT HXT SING N ASN N CA SING N ASN N H SING N ASN N H2 SING N ASN CA C SING N ASN CA CB SING N ASN CA HA SING N ASN C O DOUB N ASN C OXT SING N ASN CB CG SING N ASN CB HB2 SING N ASN CB HB3 SING N ASN CG OD1 DOUB N ASN CG ND2 SING N ASN ND2 HD21 SING N ASN ND2 HD22 SING N ASN OXT HXT SING N ASP N CA SING N ASP N H SING N ASP N H2 SING N ASP CA C SING N ASP CA CB SING N ASP CA HA SING N ASP C O DOUB N ASP C OXT SING N ASP CB CG SING N ASP CB HB2 SING N ASP CB HB3 SING N ASP CG OD1 DOUB N ASP CG OD2 SING N ASP OD2 HD2 SING N ASP OXT HXT SING N CYS N CA SING N CYS N H SING N CYS N H2 SING N CYS CA C SING N CYS CA CB SING N CYS CA HA SING N CYS C O DOUB N CYS C OXT SING N CYS CB SG SING N CYS CB HB2 SING N CYS CB HB3 SING N CYS SG HG SING N CYS OXT HXT SING N GLN N CA SING N GLN N H SING N GLN N H2 SING N GLN CA C SING N GLN CA CB SING N GLN CA HA SING N GLN C O DOUB N GLN C OXT SING N GLN CB CG SING N GLN CB HB2 SING N GLN CB HB3 SING N GLN CG CD SING N GLN CG HG2 SING N GLN CG HG3 SING N GLN CD OE1 DOUB N GLN CD NE2 SING N GLN NE2 HE21 SING N GLN NE2 HE22 SING N GLN OXT HXT SING N GLU N CA SING N GLU N H SING N GLU N H2 SING N GLU CA C SING N GLU CA CB SING N GLU CA HA SING N GLU C O DOUB N GLU C OXT SING N GLU CB CG SING N GLU CB HB2 SING N GLU CB HB3 SING N GLU CG CD SING N GLU CG HG2 SING N GLU CG HG3 SING N GLU CD OE1 DOUB N GLU CD OE2 SING N GLU OE2 HE2 SING N GLU OXT HXT SING N GLY N CA SING N GLY N H SING N GLY N H2 SING N GLY CA C SING N GLY CA HA2 SING N GLY CA HA3 SING N GLY C O DOUB N GLY C OXT SING N GLY OXT HXT SING N HIS N CA SING N HIS N H SING N HIS N H2 SING N HIS CA C SING N HIS CA CB SING N HIS CA HA SING N HIS C O DOUB N HIS C OXT SING N HIS CB CG SING N HIS CB HB2 SING N HIS CB HB3 SING N HIS CG ND1 SING Y HIS CG CD2 DOUB Y HIS ND1 CE1 DOUB Y HIS ND1 HD1 SING N HIS CD2 NE2 SING Y HIS CD2 HD2 SING N HIS CE1 NE2 SING Y HIS CE1 HE1 SING N HIS NE2 HE2 SING N HIS OXT HXT SING N ILE N CA SING N ILE N H SING N ILE N H2 SING N ILE CA C SING N ILE CA CB SING N ILE CA HA SING N ILE C O DOUB N ILE C OXT SING N ILE CB CG1 SING N ILE CB CG2 SING N ILE CB HB SING N ILE CG1 CD1 SING N ILE CG1 HG12 SING N ILE CG1 HG13 SING N ILE CG2 HG21 SING N ILE CG2 HG22 SING N ILE CG2 HG23 SING N ILE CD1 HD11 SING N ILE CD1 HD12 SING N ILE CD1 HD13 SING N ILE OXT HXT SING N LEU N CA SING N LEU N H SING N LEU N H2 SING N LEU CA C SING N LEU CA CB SING N LEU CA HA SING N LEU C O DOUB N LEU C OXT SING N LEU CB CG SING N LEU CB HB2 SING N LEU CB HB3 SING N LEU CG CD1 SING N LEU CG CD2 SING N LEU CG HG SING N LEU CD1 HD11 SING N LEU CD1 HD12 SING N LEU CD1 HD13 SING N LEU CD2 HD21 SING N LEU CD2 HD22 SING N LEU CD2 HD23 SING N LEU OXT HXT SING N LYS N CA SING N LYS N H SING N LYS N H2 SING N LYS CA C SING N LYS CA CB SING N LYS CA HA SING N LYS C O DOUB N LYS C OXT SING N LYS CB CG SING N LYS CB HB2 SING N LYS CB HB3 SING N LYS CG CD SING N LYS CG HG2 SING N LYS CG HG3 SING N LYS CD CE SING N LYS CD HD2 SING N LYS CD HD3 SING N LYS CE NZ SING N LYS CE HE2 SING N LYS CE HE3 SING N LYS NZ HZ1 SING N LYS NZ HZ2 SING N LYS NZ HZ3 SING N LYS OXT HXT SING N MET N CA SING N MET N H SING N MET N H2 SING N MET CA C SING N MET CA CB SING N MET CA HA SING N MET C O DOUB N MET C OXT SING N MET CB CG SING N MET CB HB2 SING N MET CB HB3 SING N MET CG SD SING N MET CG HG2 SING N MET CG HG3 SING N MET SD CE SING N MET CE HE1 SING N MET CE HE2 SING N MET CE HE3 SING N MET OXT HXT SING N PHE N CA SING N PHE N H SING N PHE N H2 SING N PHE CA C SING N PHE CA CB SING N PHE CA HA SING N PHE C O DOUB N PHE C OXT SING N PHE CB CG SING N PHE CB HB2 SING N PHE CB HB3 SING N PHE CG CD1 DOUB Y PHE CG CD2 SING Y PHE CD1 CE1 SING Y PHE CD1 HD1 SING N PHE CD2 CE2 DOUB Y PHE CD2 HD2 SING N PHE CE1 CZ DOUB Y PHE CE1 HE1 SING N PHE CE2 CZ SING Y PHE CE2 HE2 SING N PHE CZ HZ SING N PHE OXT HXT SING N PRO N CA SING N PRO N CD SING N PRO N H SING N PRO CA C SING N PRO CA CB SING N PRO CA HA SING N PRO C O DOUB N PRO C OXT SING N PRO CB CG SING N PRO CB HB2 SING N PRO CB HB3 SING N PRO CG CD SING N PRO CG HG2 SING N PRO CG HG3 SING N PRO CD HD2 SING N PRO CD HD3 SING N PRO OXT HXT SING N SER N CA SING N SER N H SING N SER N H2 SING N SER CA C SING N SER CA CB SING N SER CA HA SING N SER C O DOUB N SER C OXT SING N SER CB OG SING N SER CB HB2 SING N SER CB HB3 SING N SER OG HG SING N SER OXT HXT SING N THR N CA SING N THR N H SING N THR N H2 SING N THR CA C SING N THR CA CB SING N THR CA HA SING N THR C O DOUB N THR C OXT SING N THR CB OG1 SING N THR CB CG2 SING N THR CB HB SING N THR OG1 HG1 SING N THR CG2 HG21 SING N THR CG2 HG22 SING N THR CG2 HG23 SING N THR OXT HXT SING N TRP N CA SING N TRP N H SING N TRP N H2 SING N TRP CA C SING N TRP CA CB SING N TRP CA HA SING N TRP C O DOUB N TRP C OXT SING N TRP CB CG SING N TRP CB HB2 SING N TRP CB HB3 SING N TRP CG CD1 DOUB Y TRP CG CD2 SING Y TRP CD1 NE1 SING Y TRP CD1 HD1 SING N TRP CD2 CE2 DOUB Y TRP CD2 CE3 SING Y TRP NE1 CE2 SING Y TRP NE1 HE1 SING N TRP CE2 CZ2 SING Y TRP CE3 CZ3 DOUB Y TRP CE3 HE3 SING N TRP CZ2 CH2 DOUB Y TRP CZ2 HZ2 SING N TRP CZ3 CH2 SING Y TRP CZ3 HZ3 SING N TRP CH2 HH2 SING N TRP OXT HXT SING N TYR N CA SING N TYR N H SING N TYR N H2 SING N TYR CA C SING N TYR CA CB SING N TYR CA HA SING N TYR C O DOUB N TYR C OXT SING N TYR CB CG SING N TYR CB HB2 SING N TYR CB HB3 SING N TYR CG CD1 DOUB Y TYR CG CD2 SING Y TYR CD1 CE1 SING Y TYR CD1 HD1 SING N TYR CD2 CE2 DOUB Y TYR CD2 HD2 SING N TYR CE1 CZ DOUB Y TYR CE1 HE1 SING N TYR CE2 CZ SING Y TYR CE2 HE2 SING N TYR CZ OH SING N TYR OH HH SING N TYR OXT HXT SING N VAL N CA SING N VAL N H SING N VAL N H2 SING N VAL CA C SING N VAL CA CB SING N VAL CA HA SING N VAL C O DOUB N VAL C OXT SING N VAL CB CG1 SING N VAL CB CG2 SING N VAL CB HB SING N VAL CG1 HG11 SING N VAL CG1 HG12 SING N VAL CG1 HG13 SING N VAL CG2 HG21 SING N VAL CG2 HG22 SING N VAL CG2 HG23 SING N VAL OXT HXT SING N # loop_ _atom_site.group_PDB _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.id _atom_site.B_iso_or_equiv _atom_site.occupancy _atom_site.pdbx_formal_charge _atom_site.annotation_expsegmax_1_residue _atom_site.annotation_expsegmin_1_residue _atom_site.mask_coordinate_1_atom _atom_site.mask_expsegmax_1_residue _atom_site.mask_expsegmin_1_residue _atom_site.mask_hotspot_1_atom _atom_site.mask_sequence_1_residue _atom_site.atom_array_index _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.pdbx_PDB_model_num ATOM N N . ASN A 1 17 . 17 ASN A N 0 35.37 0.49 ? -1 -1 True False False False True 0 -9.303 10.579 -19.959 1 ATOM C CA . ASN A 1 17 . 17 ASN A CA 1 35.38 0.64 ? -1 -1 True False False False True 1 -9.296 10.996 -18.55 1 ATOM C C . ASN A 1 17 . 17 ASN A C 2 35.58 0.74 ? -1 -1 True False False False True 2 -7.888 10.876 -17.974 1 ATOM O O . ASN A 1 17 . 17 ASN A O 3 37.7 0.77 ? -1 -1 True False False False True 3 -7.184 9.93 -18.304 1 ATOM C CB . ASN A 1 17 . 17 ASN A CB 4 35.11 0.53 ? -1 -1 True False False False True 4 -10.309 10.349 -17.623 1 ATOM C CG . ASN A 1 17 . 17 ASN A CG 5 0.0 0.0 ? -1 -1 True False False False True 5 -11.333 11.326 -17.115 1 ATOM O OD1 . ASN A 1 17 . 17 ASN A OD1 6 0.0 0.0 ? -1 -1 True False False False True 6 -11.125 12.544 -17.164 1 ATOM N ND2 . ASN A 1 17 . 17 ASN A ND2 7 0.0 0.0 ? -1 -1 True False False False True 7 -12.434 10.816 -16.626 1 ATOM N N . ALA A 1 18 . 18 ALA A N 8 32.79 0.81 ? -1 -1 True False False False True 8 -7.47 11.865 -17.178 1 ATOM C CA . ALA A 1 18 . 18 ALA A CA 9 29.91 0.59 ? -1 -1 True False False False True 9 -6.133 11.86 -16.604 1 ATOM C C . ALA A 1 18 . 18 ALA A C 10 25.42 1.0 ? -1 -1 True False False False True 10 -5.967 10.66 -15.689 1 ATOM O O . ALA A 1 18 . 18 ALA A O 11 25.03 0.71 ? -1 -1 True False False False True 11 -6.934 10.144 -15.122 1 ATOM C CB . ALA A 1 18 . 18 ALA A CB 12 31.08 0.65 ? -1 -1 True False False False True 12 -5.918 13.113 -15.767 1 ATOM N N . PHE A 1 19 . 19 PHE A N 13 21.85 1.0 ? -1 -1 True False False False True 13 -4.709 10.28 -15.463 1 ATOM C CA . PHE A 1 19 . 19 PHE A CA 14 17.43 1.0 ? -1 -1 True False False False True 14 -4.39 9.142 -14.619 1 ATOM C C . PHE A 1 19 . 19 PHE A C 15 17.56 1.0 ? -1 -1 True False False False True 15 -4.765 9.44 -13.185 1 ATOM O O . PHE A 1 19 . 19 PHE A O 16 20.44 1.0 ? -1 -1 True False False False True 16 -4.312 10.446 -12.582 1 ATOM C CB . PHE A 1 19 . 19 PHE A CB 17 16.11 1.0 ? -1 -1 True False False False True 17 -2.888 8.892 -14.682 1 ATOM C CG . PHE A 1 19 . 19 PHE A CG 18 12.78 1.0 ? -1 -1 True False False False True 18 -2.445 7.711 -13.86 1 ATOM C CD1 . PHE A 1 19 . 19 PHE A CD1 19 11.93 1.0 ? -1 -1 True False False False True 19 -2.471 6.462 -14.379 1 ATOM C CD2 . PHE A 1 19 . 19 PHE A CD2 20 13.38 1.0 ? -1 -1 True False False False True 20 -2.027 7.863 -12.541 1 ATOM C CE1 . PHE A 1 19 . 19 PHE A CE1 21 12.13 1.0 ? -1 -1 True False False False True 21 -2.088 5.406 -13.656 1 ATOM C CE2 . PHE A 1 19 . 19 PHE A CE2 22 12.47 1.0 ? -1 -1 True False False False True 22 -1.61 6.811 -11.832 1 ATOM C CZ . PHE A 1 19 . 19 PHE A CZ 23 11.34 1.0 ? -1 -1 True False False False True 23 -1.631 5.569 -12.387 1 ATOM N N . THR A 1 20 . 20 THR A N 24 15.36 0.75 ? -1 -1 True False False False True 24 -5.639 8.605 -12.637 1 ATOM C CA . THR A 1 20 . 20 THR A CA 25 15.71 0.75 ? -1 -1 True False False False True 25 -6.181 8.847 -11.309 1 ATOM C C . THR A 1 20 . 20 THR A C 26 15.03 0.75 ? -1 -1 True False False False True 26 -6.117 7.574 -10.491 1 ATOM O O . THR A 1 20 . 20 THR A O 27 16.86 0.75 ? -1 -1 True False False False True 27 -6.518 6.5 -10.967 1 ATOM C CB . THR A 1 20 . 20 THR A CB 28 18.6 0.75 ? -1 -1 True False False False True 28 -7.677 9.267 -11.378 1 ATOM O OG1 . THR A 1 20 . 20 THR A OG1 29 21.81 0.75 ? -1 -1 True False False False True 29 -7.853 10.373 -12.282 1 ATOM C CG2 . THR A 1 20 . 20 THR A CG2 30 17.63 0.75 ? -1 -1 True False False False True 30 -8.192 9.713 -10.034 1 ATOM N N . VAL A 1 21 . 21 VAL A N 31 13.59 1.0 ? -1 -1 True False False False True 31 -5.629 7.699 -9.272 1 ATOM C CA . VAL A 1 21 . 21 VAL A CA 32 11.59 1.0 ? -1 -1 True False False False True 32 -5.688 6.641 -8.285 1 ATOM C C . VAL A 1 21 . 21 VAL A C 33 11.76 0.92 ? -1 -1 True False False False True 33 -6.967 6.83 -7.469 1 ATOM O O . VAL A 1 21 . 21 VAL A O 34 12.37 0.92 ? -1 -1 True False False False True 34 -7.261 7.967 -7.086 1 ATOM C CB . VAL A 1 21 . 21 VAL A CB 35 11.7 0.97 ? -1 -1 True False False False True 35 -4.44 6.689 -7.403 1 ATOM C CG1 . VAL A 1 21 . 21 VAL A CG1 36 10.97 0.81 ? -1 -1 True False False False True 36 -4.566 5.803 -6.175 1 ATOM C CG2 . VAL A 1 21 . 21 VAL A CG2 37 11.54 0.81 ? -1 -1 True False False False True 37 -3.194 6.274 -8.211 1 ATOM N N . THR A 1 22 . 22 THR A N 38 12.74 1.0 ? -1 -1 True False False False True 38 -7.738 5.741 -7.248 1 ATOM C CA . THR A 1 22 . 22 THR A CA 39 13.2 1.0 ? -1 -1 True False False False True 39 -8.989 5.779 -6.522 1 ATOM C C . THR A 1 22 . 22 THR A C 40 11.76 1.0 ? -1 -1 True False False False True 40 -8.83 4.963 -5.245 1 ATOM O O . THR A 1 22 . 22 THR A O 41 11.51 1.0 ? -1 -1 True False False False True 41 -7.996 4.067 -5.146 1 ATOM C CB . THR A 1 22 . 22 THR A CB 42 14.85 1.0 ? -1 -1 True False False False True 42 -10.219 5.276 -7.376 1 ATOM O OG1 . THR A 1 22 . 22 THR A OG1 43 16.97 1.0 ? -1 -1 True False False False True 43 -10.185 3.852 -7.553 1 ATOM C CG2 . THR A 1 22 . 22 THR A CG2 44 18.05 1.0 ? -1 -1 True False False False True 44 -10.383 6.023 -8.651 1 ATOM N N . VAL A 1 23 . 23 VAL A N 45 12.34 0.97 ? -1 -1 True False False False True 45 -9.676 5.249 -4.271 1 ATOM C CA . VAL A 1 23 . 23 VAL A CA 46 11.79 1.0 ? -1 -1 True False False False True 46 -9.742 4.453 -3.072 1 ATOM C C . VAL A 1 23 . 23 VAL A C 47 11.86 1.0 ? -1 -1 True False False False True 47 -11.162 3.919 -2.893 1 ATOM O O . VAL A 1 23 . 23 VAL A O 48 13.17 0.92 ? -1 -1 True False False False True 48 -12.137 4.689 -3.022 1 ATOM C CB . VAL A 1 23 . 23 VAL A CB 49 11.76 0.92 ? -1 -1 True False False False True 49 -9.304 5.181 -1.8 1 ATOM C CG1 . VAL A 1 23 . 23 VAL A CG1 50 11.28 0.75 ? -1 -1 True False False False True 50 -7.818 5.433 -1.889 1 ATOM C CG2 . VAL A 1 23 . 23 VAL A CG2 51 12.46 0.78 ? -1 -1 True False False False True 51 -10.124 6.45 -1.536 1 ATOM N N . PRO A 1 24 . 24 PRO A N 52 11.79 0.53 ? -1 -1 True False False False True 52 -11.331 2.693 -2.465 1 ATOM C CA . PRO A 1 24 . 24 PRO A CA 53 11.57 0.53 ? -1 -1 True False False False True 53 -12.705 2.25 -2.177 1 ATOM C C . PRO A 1 24 . 24 PRO A C 54 9.93 0.53 ? -1 -1 True False False False True 54 -13.286 2.942 -0.998 1 ATOM O O . PRO A 1 24 . 24 PRO A O 55 9.95 0.53 ? -1 -1 True False False False True 55 -14.503 3.098 -0.919 1 ATOM C CB . PRO A 1 24 . 24 PRO A CB 56 13.55 0.53 ? -1 -1 True False False False True 56 -12.546 0.728 -2.001 1 ATOM C CG . PRO A 1 24 . 24 PRO A CG 57 12.71 0.53 ? -1 -1 True False False False True 57 -11.111 0.604 -1.696 1 ATOM C CD . PRO A 1 24 . 24 PRO A CD 58 12.41 0.53 ? -1 -1 True False False False True 58 -10.369 1.575 -2.453 1 ATOM N N . LYS A 1 25 . 25 LYS A N 59 9.76 1.0 ? -1 -1 True False False False True 59 -12.427 3.339 -0.041 1 ATOM C CA . LYS A 1 25 . 25 LYS A CA 60 10.29 0.98 ? -1 -1 True False False False True 60 -12.825 4.179 1.074 1 ATOM C C . LYS A 1 25 . 25 LYS A C 61 9.53 0.97 ? -1 -1 True False False False True 61 -11.535 4.802 1.621 1 ATOM O O . LYS A 1 25 . 25 LYS A O 62 9.04 0.86 ? -1 -1 True False False False True 62 -10.417 4.313 1.387 1 ATOM C CB . LYS A 1 25 . 25 LYS A CB 63 9.92 0.84 ? -1 -1 True False False False True 63 -13.62 3.497 2.157 1 ATOM C CG . LYS A 1 25 . 25 LYS A CG 64 11.06 0.98 ? -1 -1 True False False False True 64 -12.895 2.37 2.853 1 ATOM C CD . LYS A 1 25 . 25 LYS A CD 65 11.34 0.83 ? -1 -1 True False False False True 65 -13.768 1.674 3.872 1 ATOM C CE . LYS A 1 25 . 25 LYS A CE 66 11.48 0.95 ? -1 -1 True False False False True 66 -13.059 0.547 4.533 1 ATOM N NZ . LYS A 1 25 . 25 LYS A NZ 67 12.98 0.77 +1 -1 -1 True False False False True 67 -13.855 -0.219 5.474 1 ATOM N N . ASP A 1 26 . 26 ASP A N 68 9.82 1.0 ? -1 -1 True False False False True 68 -11.709 5.886 2.349 1 ATOM C CA . ASP A 1 26 . 26 ASP A CA 69 10.25 0.97 ? -1 -1 True False False False True 69 -10.568 6.642 2.873 1 ATOM C C . ASP A 1 26 . 26 ASP A C 70 8.63 0.94 ? -1 -1 True False False False True 70 -10.372 6.516 4.354 1 ATOM O O . ASP A 1 26 . 26 ASP A O 71 9.21 0.89 ? -1 -1 True False False False True 71 -9.465 7.192 4.906 1 ATOM C CB . ASP A 1 26 . 26 ASP A CB 72 12.0 0.99 ? -1 -1 True False False False True 72 -10.58 8.099 2.425 1 ATOM C CG . ASP A 1 26 . 26 ASP A CG 73 12.87 0.95 ? -1 -1 True False False False True 73 -11.619 8.886 3.099 1 ATOM O OD1 . ASP A 1 26 . 26 ASP A OD1 74 13.11 1.0 ? -1 -1 True False False False True 74 -12.376 8.364 3.898 1 ATOM O OD2 . ASP A 1 26 . 26 ASP A OD2 75 15.07 0.69 ? -1 -1 True False False False True 75 -11.759 10.142 2.795 1 ATOM N N . LEU A 1 27 . 27 LEU A N 76 9.59 0.96 ? -1 -1 True False False False True 76 -11.117 5.647 5.025 1 ATOM C CA . LEU A 1 27 . 27 LEU A CA 77 9.82 1.0 ? -1 -1 True False False False True 77 -11.036 5.463 6.461 1 ATOM C C . LEU A 1 27 . 27 LEU A C 78 9.43 0.98 ? -1 -1 True False False False True 78 -11.258 3.992 6.745 1 ATOM O O . LEU A 1 27 . 27 LEU A O 79 10.35 0.84 ? -1 -1 True False False False True 79 -12.264 3.423 6.312 1 ATOM C CB . LEU A 1 27 . 27 LEU A CB 80 11.01 0.94 ? -1 -1 True False False False True 80 -12.077 6.284 7.201 1 ATOM C CG . LEU A 1 27 . 27 LEU A CG 81 12.19 1.0 ? -1 -1 True False False False True 81 -12.207 6.023 8.705 1 ATOM C CD1 . LEU A 1 27 . 27 LEU A CD1 82 12.84 0.97 ? -1 -1 True False False False True 82 -10.946 6.371 9.446 1 ATOM C CD2 . LEU A 1 27 . 27 LEU A CD2 83 14.14 0.84 ? -1 -1 True False False False True 83 -13.385 6.811 9.262 1 ATOM N N . TYR A 1 28 . 28 TYR A N 84 8.68 1.0 ? -1 -1 True False False False True 84 -10.325 3.352 7.446 1 ATOM C CA . TYR A 1 28 . 28 TYR A CA 85 8.7 1.0 ? -1 -1 True False False False True 85 -10.452 1.974 7.921 1 ATOM C C . TYR A 1 28 . 28 TYR A C 86 8.62 1.0 ? -1 -1 True False False False True 86 -10.416 1.974 9.423 1 ATOM O O . TYR A 1 28 . 28 TYR A O 87 10.52 0.98 ? -1 -1 True False False False True 87 -9.456 2.479 10.017 1 ATOM C CB . TYR A 1 28 . 28 TYR A CB 88 9.13 0.99 ? -1 -1 True False False False True 88 -9.315 1.07 7.414 1 ATOM C CG . TYR A 1 28 . 28 TYR A CG 89 8.81 1.0 ? -1 -1 True False False False True 89 -9.357 0.813 5.917 1 ATOM C CD1 . TYR A 1 28 . 28 TYR A CD1 90 8.7 0.93 ? -1 -1 True False False False True 90 -9.088 1.804 4.997 1 ATOM C CD2 . TYR A 1 28 . 28 TYR A CD2 91 8.6 0.84 ? -1 -1 True False False False True 91 -9.657 -0.448 5.439 1 ATOM C CE1 . TYR A 1 28 . 28 TYR A CE1 92 9.21 1.0 ? -1 -1 True False False False True 92 -9.081 1.567 3.651 1 ATOM C CE2 . TYR A 1 28 . 28 TYR A CE2 93 9.2 0.93 ? -1 -1 True False False False True 93 -9.643 -0.719 4.072 1 ATOM C CZ . TYR A 1 28 . 28 TYR A CZ 94 9.01 0.94 ? -1 -1 True False False False True 94 -9.369 0.268 3.181 1 ATOM O OH . TYR A 1 28 . 28 TYR A OH 95 9.87 0.94 ? -1 -1 True False False False True 95 -9.317 -0.004 1.824 1 ATOM N N . VAL A 1 29 . 29 VAL A N 96 9.14 1.0 ? -1 -1 True False False False True 96 -11.406 1.351 10.041 1 ATOM C CA . VAL A 1 29 . 29 VAL A CA 97 9.85 1.0 ? -1 -1 True False False False True 97 -11.447 1.118 11.481 1 ATOM C C . VAL A 1 29 . 29 VAL A C 98 10.11 1.0 ? -1 -1 True False False False True 98 -11.127 -0.352 11.689 1 ATOM O O . VAL A 1 29 . 29 VAL A O 99 11.65 0.95 ? -1 -1 True False False False True 99 -11.83 -1.231 11.165 1 ATOM C CB . VAL A 1 29 . 29 VAL A CB 100 11.91 1.0 ? -1 -1 True False False False True 100 -12.813 1.521 12.073 1 ATOM C CG1 . VAL A 1 29 . 29 VAL A CG1 101 13.9 0.95 ? -1 -1 True False False False True 101 -12.843 1.175 13.539 1 ATOM C CG2 . VAL A 1 29 . 29 VAL A CG2 102 13.0 0.86 ? -1 -1 True False False False True 102 -13.115 2.972 11.787 1 ATOM N N . VAL A 1 30 . 30 VAL A N 103 9.34 1.0 ? -1 -1 True False False False True 103 -10.05 -0.624 12.38 1 ATOM C CA . VAL A 1 30 . 30 VAL A CA 104 11.0 1.0 ? -1 -1 True False False False True 104 -9.511 -1.98 12.48 1 ATOM C C . VAL A 1 30 . 30 VAL A C 105 10.27 1.0 ? -1 -1 True False False False True 105 -9.31 -2.361 13.926 1 ATOM O O . VAL A 1 30 . 30 VAL A O 106 11.67 1.0 ? -1 -1 True False False False True 106 -9.052 -1.516 14.772 1 ATOM C CB . VAL A 1 30 . 30 VAL A CB 107 15.12 1.0 ? -1 -1 True False False False True 107 -8.244 -2.143 11.662 1 ATOM C CG1 . VAL A 1 30 . 30 VAL A CG1 108 17.92 1.0 ? -1 -1 True False False False True 108 -8.378 -1.652 10.245 1 ATOM C CG2 . VAL A 1 30 . 30 VAL A CG2 109 16.57 1.0 ? -1 -1 True False False False True 109 -7.177 -1.449 12.235 1 ATOM N N . GLU A 1 31 . 31 GLU A N 110 11.26 1.0 ? -1 -1 True False False False True 110 -9.409 -3.646 14.23 1 ATOM C CA . GLU A 1 31 . 31 GLU A CA 111 11.65 1.0 ? -1 -1 True False False False True 111 -9.2 -4.112 15.589 1 ATOM C C . GLU A 1 31 . 31 GLU A C 112 10.7 1.0 ? -1 -1 True False False False True 112 -7.719 -4.339 15.867 1 ATOM O O . GLU A 1 31 . 31 GLU A O 113 11.74 1.0 ? -1 -1 True False False False True 113 -6.987 -4.93 15.07 1 ATOM C CB . GLU A 1 31 . 31 GLU A CB 114 13.38 0.99 ? -1 -1 True False False False True 114 -9.97 -5.41 15.809 1 ATOM C CG . GLU A 1 31 . 31 GLU A CG 115 16.2 0.95 ? -1 -1 True False False False True 115 -11.476 -5.318 15.546 1 ATOM C CD . GLU A 1 31 . 31 GLU A CD 116 19.55 0.98 ? -1 -1 True False False False True 116 -12.153 -4.237 16.345 1 ATOM O OE1 . GLU A 1 31 . 31 GLU A OE1 117 20.82 0.95 ? -1 -1 True False False False True 117 -11.989 -4.17 17.564 1 ATOM O OE2 . GLU A 1 31 . 31 GLU A OE2 118 21.05 0.75 ? -1 -1 True False False False True 118 -12.795 -3.368 15.778 1 ATOM N N . TYR A 1 32 . 32 TYR A N 119 10.46 0.93 ? -1 -1 True False False False True 119 -7.28 -3.953 17.056 1 ATOM C CA . TYR A 1 32 . 32 TYR A CA 120 10.58 0.95 ? -1 -1 True False False False True 120 -5.914 -4.257 17.523 1 ATOM C C . TYR A 1 32 . 32 TYR A C 121 11.23 0.92 ? -1 -1 True False False False True 121 -5.662 -5.767 17.376 1 ATOM O O . TYR A 1 32 . 32 TYR A O 122 12.07 0.98 ? -1 -1 True False False False True 122 -6.512 -6.575 17.751 1 ATOM C CB . TYR A 1 32 . 32 TYR A CB 123 11.1 0.98 ? -1 -1 True False False False True 123 -5.805 -3.865 19.002 1 ATOM C CG . TYR A 1 32 . 32 TYR A CG 124 11.0 1.0 ? -1 -1 True False False False True 124 -4.47 -4.191 19.631 1 ATOM C CD1 . TYR A 1 32 . 32 TYR A CD1 125 11.21 0.99 ? -1 -1 True False False False True 125 -3.391 -3.32 19.572 1 ATOM C CD2 . TYR A 1 32 . 32 TYR A CD2 126 11.66 0.9 ? -1 -1 True False False False True 126 -4.281 -5.378 20.299 1 ATOM C CE1 . TYR A 1 32 . 32 TYR A CE1 127 12.02 0.97 ? -1 -1 True False False False True 127 -2.188 -3.635 20.125 1 ATOM C CE2 . TYR A 1 32 . 32 TYR A CE2 128 12.44 0.91 ? -1 -1 True False False False True 128 -3.065 -5.682 20.85 1 ATOM C CZ . TYR A 1 32 . 32 TYR A CZ 129 12.32 1.0 ? -1 -1 True False False False True 129 -2.021 -4.82 20.752 1 ATOM O OH . TYR A 1 32 . 32 TYR A OH 130 14.95 0.94 ? -1 -1 True False False False True 130 -0.806 -5.174 21.283 1 ATOM N N . GLY A 1 33 . 33 GLY A N 131 11.96 1.0 ? -1 -1 True False False False True 131 -4.507 -6.145 16.826 1 ATOM C CA . GLY A 1 33 . 33 GLY A CA 132 13.59 0.91 ? -1 -1 True False False False True 132 -4.131 -7.563 16.686 1 ATOM C C . GLY A 1 33 . 33 GLY A C 133 14.32 0.93 ? -1 -1 True False False False True 133 -4.674 -8.246 15.457 1 ATOM O O . GLY A 1 33 . 33 GLY A O 134 16.9 0.8 ? -1 -1 True False False False True 134 -4.304 -9.381 15.185 1 ATOM N N . SER A 1 34 . 34 SER A N 135 12.8 1.0 ? -1 -1 True False False False True 135 -5.526 -7.602 14.684 1 ATOM C CA . SER A 1 34 . 34 SER A CA 136 11.67 0.93 ? -1 -1 True False False False True 136 -6.044 -8.129 13.452 1 ATOM C C . SER A 1 34 . 34 SER A C 137 10.91 1.0 ? -1 -1 True False False False True 137 -5.032 -7.929 12.321 1 ATOM O O . SER A 1 34 . 34 SER A O 138 13.25 1.0 ? -1 -1 True False False False True 138 -4.004 -7.321 12.477 1 ATOM C CB . SER A 1 34 . 34 SER A CB 139 12.0 0.8 ? -1 -1 True False False False True 139 -7.363 -7.479 13.112 1 ATOM O OG . SER A 1 34 . 34 SER A OG 140 12.5 0.86 ? -1 -1 True False False False True 140 -7.199 -6.121 12.655 1 ATOM N N . ASN A 1 35 . 35 ASN A N 141 11.21 1.0 ? -1 -1 True False False False True 141 -5.38 -8.439 11.157 1 ATOM C CA . ASN A 1 35 . 35 ASN A CA 142 11.71 1.0 ? -1 -1 True False False False True 142 -4.684 -8.134 9.924 1 ATOM C C . ASN A 1 35 . 35 ASN A C 143 11.69 0.97 ? -1 -1 True False False False True 143 -5.544 -7.176 9.114 1 ATOM O O . ASN A 1 35 . 35 ASN A O 144 13.69 0.78 ? -1 -1 True False False False True 144 -6.778 -7.331 9.054 1 ATOM C CB . ASN A 1 35 . 35 ASN A CB 145 12.87 1.0 ? -1 -1 True False False False True 145 -4.468 -9.42 9.131 1 ATOM C CG . ASN A 1 35 . 35 ASN A CG 146 14.63 0.85 ? -1 -1 True False False False True 146 -3.624 -10.439 9.901 1 ATOM O OD1 . ASN A 1 35 . 35 ASN A OD1 147 13.1 0.85 ? -1 -1 True False False False True 147 -2.892 -10.125 10.812 1 ATOM N ND2 . ASN A 1 35 . 35 ASN A ND2 148 17.1 0.59 ? -1 -1 True False False False True 148 -3.79 -11.71 9.55 1 ATOM N N . MET A 1 36 . 36 MET A N 149 10.65 1.0 ? -1 -1 True False False False True 149 -4.932 -6.171 8.504 1 ATOM C CA . MET A 1 36 . 36 MET A CA 150 11.24 1.0 ? -1 -1 True False False False True 150 -5.688 -5.231 7.685 1 ATOM C C . MET A 1 36 . 36 MET A C 151 9.96 1.0 ? -1 -1 True False False False True 151 -5.124 -5.218 6.283 1 ATOM O O . MET A 1 36 . 36 MET A O 152 10.22 1.0 ? -1 -1 True False False False True 152 -3.925 -5.388 6.072 1 ATOM C CB . MET A 1 36 . 36 MET A CB 153 12.62 1.0 ? -1 -1 True False False False True 153 -5.709 -3.843 8.244 1 ATOM C CG . MET A 1 36 . 36 MET A CG 154 13.45 1.0 ? -1 -1 True False False False True 154 -4.421 -3.121 8.209 1 ATOM S SD . MET A 1 36 . 36 MET A SD 155 13.91 1.0 ? -1 -1 True False False False True 155 -4.62 -1.502 8.929 1 ATOM C CE . MET A 1 36 . 36 MET A CE 156 15.51 1.0 ? -1 -1 True False False False True 156 -2.927 -1.151 8.945 1 ATOM N N . THR A 1 37 . 37 THR A N 157 9.45 0.99 ? -1 -1 True False False False True 157 -6.014 -4.98 5.306 1 ATOM C CA . THR A 1 37 . 37 THR A CA 158 9.22 1.0 ? -1 -1 True False False False True 158 -5.649 -4.788 3.921 1 ATOM C C . THR A 1 37 . 37 THR A C 159 8.9 1.0 ? -1 -1 True False False False True 159 -6.263 -3.462 3.475 1 ATOM O O . THR A 1 37 . 37 THR A O 160 11.39 1.0 ? -1 -1 True False False False True 160 -7.499 -3.322 3.492 1 ATOM C CB . THR A 1 37 . 37 THR A CB 161 10.27 1.0 ? -1 -1 True False False False True 161 -6.081 -5.94 3.012 1 ATOM O OG1 . THR A 1 37 . 37 THR A OG1 162 12.75 1.0 ? -1 -1 True False False False True 162 -5.502 -7.132 3.496 1 ATOM C CG2 . THR A 1 37 . 37 THR A CG2 163 11.18 0.92 ? -1 -1 True False False False True 163 -5.634 -5.725 1.597 1 ATOM N N . ILE A 1 38 . 38 ILE A N 164 7.92 1.0 ? -1 -1 True False False False True 164 -5.442 -2.497 3.087 1 ATOM C CA . ILE A 1 38 . 38 ILE A CA 165 7.93 1.0 ? -1 -1 True False False False True 165 -5.898 -1.209 2.585 1 ATOM C C . ILE A 1 38 . 38 ILE A C 166 6.96 0.92 ? -1 -1 True False False False True 166 -5.533 -1.108 1.12 1 ATOM O O . ILE A 1 38 . 38 ILE A O 167 8.49 0.96 ? -1 -1 True False False False True 167 -4.516 -1.615 0.672 1 ATOM C CB . ILE A 1 38 . 38 ILE A CB 168 8.66 0.91 ? -1 -1 True False False False True 168 -5.406 -0.041 3.468 1 ATOM C CG1 . ILE A 1 38 . 38 ILE A CG1 169 8.3 0.83 ? -1 -1 True False False False True 169 -3.936 0.135 3.444 1 ATOM C CG2 . ILE A 1 38 . 38 ILE A CG2 170 9.21 0.88 ? -1 -1 True False False False True 170 -5.94 -0.204 4.892 1 ATOM C CD1 . ILE A 1 38 . 38 ILE A CD1 171 8.5 0.67 ? -1 -1 True False False False True 171 -3.445 1.401 4.202 1 ATOM N N . GLU A 1 39 . 39 GLU A N 172 7.6 0.91 ? -1 -1 True False False False True 172 -6.4 -0.467 0.332 1 ATOM C CA . GLU A 1 39 . 39 GLU A CA 173 7.63 0.9 ? -1 -1 True False False False True 173 -6.32 -0.555 -1.115 1 ATOM C C . GLU A 1 39 . 39 GLU A C 174 7.32 0.85 ? -1 -1 True False False False True 174 -6.331 0.786 -1.802 1 ATOM O O . GLU A 1 39 . 39 GLU A O 175 7.99 0.91 ? -1 -1 True False False False True 175 -7.061 1.722 -1.428 1 ATOM C CB . GLU A 1 39 . 39 GLU A CB 176 8.74 0.98 ? -1 -1 True False False False True 176 -7.531 -1.354 -1.659 1 ATOM C CG . GLU A 1 39 . 39 GLU A CG 177 9.3 0.9 ? -1 -1 True False False False True 177 -7.591 -2.771 -1.194 1 ATOM C CD . GLU A 1 39 . 39 GLU A CD 178 10.23 0.91 ? -1 -1 True False False False True 178 -8.826 -3.521 -1.675 1 ATOM O OE1 . GLU A 1 39 . 39 GLU A OE1 179 11.32 0.72 ? -1 -1 True False False False True 179 -8.707 -4.684 -2.126 1 ATOM O OE2 . GLU A 1 39 . 39 GLU A OE2 180 10.62 0.81 ? -1 -1 True False False False True 180 -9.948 -2.925 -1.656 1 ATOM N N . CYS A 1 40 . 40 CYS A N 181 6.68 1.0 ? -1 -1 True False False False True 181 -5.566 0.882 -2.876 1 ATOM C CA . CYS A 1 40 . 40 CYS A CA 182 5.95 1.0 ? -1 -1 True False False False True 182 -5.61 1.957 -3.87 1 ATOM C C . CYS A 1 40 . 40 CYS A C 183 6.71 1.0 ? -1 -1 True False False False True 183 -5.721 1.33 -5.247 1 ATOM O O . CYS A 1 40 . 40 CYS A O 184 8.41 1.0 ? -1 -1 True False False False True 184 -5.002 0.402 -5.557 1 ATOM C CB . CYS A 1 40 . 40 CYS A CB 185 5.86 1.0 ? -1 -1 True False False False True 185 -4.397 2.847 -3.815 1 ATOM S SG . CYS A 1 40 . 40 CYS A SG 186 5.61 1.0 ? -1 -1 True False False False True 186 -4.407 3.871 -2.306 1 ATOM N N . LYS A 1 41 . 41 LYS A N 187 10.09 1.0 ? -1 -1 True False False False True 187 -6.598 1.825 -6.077 1 ATOM C CA . LYS A 1 41 . 41 LYS A CA 188 10.26 1.0 ? -1 -1 True False False False True 188 -6.832 1.295 -7.387 1 ATOM C C . LYS A 1 41 . 41 LYS A C 189 9.91 1.0 ? -1 -1 True False False False True 189 -6.254 2.228 -8.438 1 ATOM O O . LYS A 1 41 . 41 LYS A O 190 11.55 1.0 ? -1 -1 True False False False True 190 -6.233 3.45 -8.262 1 ATOM C CB . LYS A 1 41 . 41 LYS A CB 191 12.45 1.0 ? -1 -1 True False False False True 191 -8.338 1.057 -7.652 1 ATOM C CG . LYS A 1 41 . 41 LYS A CG 192 16.16 1.0 ? -1 -1 True False False False True 192 -9.196 0.333 -6.612 1 ATOM C CD . LYS A 1 41 . 41 LYS A CD 193 16.8 1.0 ? -1 -1 True False False False True 193 -8.713 -0.984 -6.251 1 ATOM C CE . LYS A 1 41 . 41 LYS A CE 194 17.54 1.0 ? -1 -1 True False False False True 194 -9.594 -1.711 -5.194 1 ATOM N NZ . LYS A 1 41 . 41 LYS A NZ 195 18.99 1.0 +1 -1 -1 True False False False True 195 -10.996 -2.11 -5.629 1 ATOM N N . PHE A 1 42 . 42 PHE A N 196 10.11 1.0 ? -1 -1 True False False False True 196 -5.824 1.661 -9.548 1 ATOM C CA . PHE A 1 42 . 42 PHE A CA 197 10.48 1.0 ? -1 -1 True False False False True 197 -5.245 2.423 -10.641 1 ATOM C C . PHE A 1 42 . 42 PHE A C 198 10.09 1.0 ? -1 -1 True False False False True 198 -5.663 1.788 -11.95 1 ATOM O O . PHE A 1 42 . 42 PHE A O 199 10.98 0.95 ? -1 -1 True False False False True 199 -6.022 0.602 -11.997 1 ATOM C CB . PHE A 1 42 . 42 PHE A CB 200 10.91 0.99 ? -1 -1 True False False False True 200 -3.699 2.504 -10.511 1 ATOM C CG . PHE A 1 42 . 42 PHE A CG 201 10.24 1.0 ? -1 -1 True False False False True 201 -2.965 1.186 -10.579 1 ATOM C CD1 . PHE A 1 42 . 42 PHE A CD1 202 10.31 1.0 ? -1 -1 True False False False True 202 -2.847 0.359 -9.46 1 ATOM C CD2 . PHE A 1 42 . 42 PHE A CD2 203 10.74 0.94 ? -1 -1 True False False False True 203 -2.364 0.791 -11.763 1 ATOM C CE1 . PHE A 1 42 . 42 PHE A CE1 204 10.68 0.99 ? -1 -1 True False False False True 204 -2.179 -0.821 -9.584 1 ATOM C CE2 . PHE A 1 42 . 42 PHE A CE2 205 10.49 0.85 ? -1 -1 True False False False True 205 -1.677 -0.399 -11.853 1 ATOM C CZ . PHE A 1 42 . 42 PHE A CZ 206 10.81 0.93 ? -1 -1 True False False False True 206 -1.592 -1.209 -10.726 1 ATOM N N . PRO A 1 43 . 43 PRO A N 207 10.09 0.96 ? -1 -1 True False False False True 207 -5.644 2.539 -13.047 1 ATOM C CA . PRO A 1 43 . 43 PRO A CA 208 10.98 1.0 ? -1 -1 True False False False True 208 -6.203 2.027 -14.295 1 ATOM C C . PRO A 1 43 . 43 PRO A C 209 11.1 1.0 ? -1 -1 True False False False True 209 -5.218 1.096 -14.982 1 ATOM O O . PRO A 1 43 . 43 PRO A O 210 11.61 0.88 ? -1 -1 True False False False True 210 -4.073 1.465 -15.241 1 ATOM C CB . PRO A 1 43 . 43 PRO A CB 211 11.83 0.89 ? -1 -1 True False False False True 211 -6.464 3.304 -15.098 1 ATOM C CG . PRO A 1 43 . 43 PRO A CG 212 12.72 0.89 ? -1 -1 True False False False True 212 -5.467 4.264 -14.601 1 ATOM C CD . PRO A 1 43 . 43 PRO A CD 213 11.68 0.97 ? -1 -1 True False False False True 213 -5.412 4.0 -13.123 1 ATOM N N . VAL A 1 44 . 44 VAL A N 214 12.31 1.0 ? -1 -1 True False False False True 214 -5.722 -0.058 -15.386 1 ATOM C CA . VAL A 1 44 . 44 VAL A CA 215 13.67 1.0 ? -1 -1 True False False False True 215 -4.979 -1.052 -16.17 1 ATOM C C . VAL A 1 44 . 44 VAL A C 216 16.06 1.0 ? -1 -1 True False False False True 216 -5.911 -1.48 -17.3 1 ATOM O O . VAL A 1 44 . 44 VAL A O 217 15.46 0.82 ? -1 -1 True False False False True 217 -7.022 -1.939 -17.072 1 ATOM C CB . VAL A 1 44 . 44 VAL A CB 218 15.67 1.0 ? -1 -1 True False False False True 218 -4.548 -2.242 -15.303 1 ATOM C CG1 . VAL A 1 44 . 44 VAL A CG1 219 17.63 0.63 ? -1 -1 True False False False True 219 -3.842 -3.299 -16.183 1 ATOM C CG2 . VAL A 1 44 . 44 VAL A CG2 220 15.82 1.0 ? -1 -1 True False False False True 220 -3.645 -1.807 -14.175 1 ATOM N N . GLU A 1 45 . 45 GLU A N 221 20.29 0.95 ? -1 -1 True False False False True 221 -5.483 -1.286 -18.533 1 ATOM C CA . GLU A 1 45 . 45 GLU A CA 222 26.11 0.62 ? -1 -1 True False False False True 222 -6.489 -1.45 -19.596 1 ATOM C C . GLU A 1 45 . 45 GLU A C 223 28.7 0.5 ? -1 -1 True False False False True 223 -6.692 -2.906 -19.982 1 ATOM O O . GLU A 1 45 . 45 GLU A O 224 29.3 0.45 ? -1 -1 True False False False True 224 -7.833 -3.379 -20.1 1 ATOM C CB . GLU A 1 45 . 45 GLU A CB 225 30.23 1.0 ? -1 -1 True False False False True 225 -6.175 -0.573 -20.805 1 ATOM C CG . GLU A 1 45 . 45 GLU A CG 226 34.22 0.68 ? -1 -1 True False False False True 226 -6.075 0.89 -20.465 1 ATOM C CD . GLU A 1 45 . 45 GLU A CD 227 36.78 0.76 ? -1 -1 True False False False True 227 -7.39 1.498 -20.041 1 ATOM O OE1 . GLU A 1 45 . 45 GLU A OE1 228 37.81 0.42 ? -1 -1 True False False False True 228 -7.511 2.738 -20.165 1 ATOM O OE2 . GLU A 1 45 . 45 GLU A OE2 229 0.0 0.0 ? -1 -1 True False False False True 229 -8.248 0.765 -19.609 1 ATOM N N . LYS A 1 46 . 46 LYS A N 230 29.71 0.82 ? -1 -1 True False False False True 230 -5.607 -3.612 -20.2 1 ATOM C CA . LYS A 1 46 . 46 LYS A CA 231 29.83 0.94 ? -1 -1 True False False False True 231 -5.628 -5.04 -20.501 1 ATOM C C . LYS A 1 46 . 46 LYS A C 232 28.68 1.0 ? -1 -1 True False False False True 232 -4.588 -5.713 -19.616 1 ATOM O O . LYS A 1 46 . 46 LYS A O 233 29.24 0.68 ? -1 -1 True False False False True 233 -4.8 -5.7 -18.399 1 ATOM C CB . LYS A 1 46 . 46 LYS A CB 234 32.97 1.0 ? -1 -1 True False False False True 234 -5.24 -3.582 -20.754 1 ATOM C CG . LYS A 1 46 . 46 LYS A CG 235 34.46 1.0 ? -1 -1 True False False False True 235 -5.173 -3.195 -22.225 1 ATOM C CD . LYS A 1 46 . 46 LYS A CD 236 0.0 0.0 ? -1 -1 True False False False True 236 -3.805 -3.501 -22.816 1 ATOM C CE . LYS A 1 46 . 46 LYS A CE 237 39.62 1.0 ? -1 -1 True False False False True 237 -3.696 -3.001 -24.249 1 ATOM N NZ . LYS A 1 46 . 46 LYS A NZ 238 0.0 0.0 +1 -1 -1 True False False False True 238 -2.378 -3.333 -24.855 1 ATOM N N . GLN A 1 47 . 47 GLN A N 239 25.83 0.88 ? -1 -1 True False False False True 239 -3.46 -6.223 -20.132 1 ATOM C CA . GLN A 1 47 . 47 GLN A CA 240 24.32 1.0 ? -1 -1 True False False False True 240 -2.425 -6.851 -19.297 1 ATOM C C . GLN A 1 47 . 47 GLN A C 241 21.01 1.0 ? -1 -1 True False False False True 241 -1.579 -5.759 -18.639 1 ATOM O O . GLN A 1 47 . 47 GLN A O 242 20.42 0.88 ? -1 -1 True False False False True 242 -1.31 -4.719 -19.228 1 ATOM C CB . GLN A 1 47 . 47 GLN A CB 243 28.08 1.0 ? -1 -1 True False False False True 243 -1.504 -7.74 -20.142 1 ATOM C CG . GLN A 1 47 . 47 GLN A CG 244 30.42 0.53 ? -1 -1 True False False False True 244 -2.206 -8.848 -20.887 1 ATOM C CD . GLN A 1 47 . 47 GLN A CD 245 32.59 0.85 ? -1 -1 True False False False True 245 -2.786 -9.937 -19.977 1 ATOM O OE1 . GLN A 1 47 . 47 GLN A OE1 246 33.53 0.61 ? -1 -1 True False False False True 246 -2.332 -10.164 -18.869 1 ATOM N NE2 . GLN A 1 47 . 47 GLN A NE2 247 32.77 0.47 ? -1 -1 True False False False True 247 -3.791 -10.617 -20.476 1 ATOM N N . LEU A 1 48 . 48 LEU A N 248 18.53 0.89 ? -1 -1 True False False False True 248 -1.125 -6.009 -17.435 1 ATOM C CA . LEU A 1 48 . 48 LEU A CA 249 14.95 1.0 ? -1 -1 True False False False True 249 -0.267 -5.096 -16.67 1 ATOM C C . LEU A 1 48 . 48 LEU A C 250 16.54 1.0 ? -1 -1 True False False False True 250 1.151 -5.05 -17.244 1 ATOM O O . LEU A 1 48 . 48 LEU A O 251 19.01 0.93 ? -1 -1 True False False False True 251 1.757 -6.107 -17.51 1 ATOM C CB . LEU A 1 48 . 48 LEU A CB 252 13.72 1.0 ? -1 -1 True False False False True 252 -0.205 -5.603 -15.238 1 ATOM C CG . LEU A 1 48 . 48 LEU A CG 253 12.41 1.0 ? -1 -1 True False False False True 253 0.645 -4.769 -14.301 1 ATOM C CD1 . LEU A 1 48 . 48 LEU A CD1 254 11.91 0.89 ? -1 -1 True False False False True 254 0.024 -3.413 -13.987 1 ATOM C CD2 . LEU A 1 48 . 48 LEU A CD2 255 12.21 0.81 ? -1 -1 True False False False True 255 0.893 -5.514 -12.971 1 ATOM N N . ASP A 1 49 . 49 ASP A N 256 15.92 1.0 ? -1 -1 True False False False True 256 1.683 -3.848 -17.448 1 ATOM C CA . ASP A 1 49 . 49 ASP A CA 257 15.67 1.0 ? -1 -1 True False False False True 257 3.044 -3.616 -17.89 1 ATOM C C . ASP A 1 49 . 49 ASP A C 258 15.36 1.0 ? -1 -1 True False False False True 258 3.899 -3.464 -16.624 1 ATOM O O . ASP A 1 49 . 49 ASP A O 259 13.55 1.0 ? -1 -1 True False False False True 259 4.008 -2.384 -16.031 1 ATOM C CB . ASP A 1 49 . 49 ASP A CB 260 15.08 0.91 ? -1 -1 True False False False True 260 3.062 -2.344 -18.723 1 ATOM C CG . ASP A 1 49 . 49 ASP A CG 261 15.52 0.82 ? -1 -1 True False False False True 261 4.412 -1.967 -19.199 1 ATOM O OD1 . ASP A 1 49 . 49 ASP A OD1 262 16.63 0.75 ? -1 -1 True False False False True 262 5.41 -2.567 -18.759 1 ATOM O OD2 . ASP A 1 49 . 49 ASP A OD2 263 15.37 0.89 ? -1 -1 True False False False True 263 4.52 -0.975 -19.951 1 ATOM N N . LEU A 1 50 . 50 LEU A N 264 18.54 1.0 ? -1 -1 True False False False True 264 4.517 -4.571 -16.138 1 ATOM C CA . LEU A 1 50 . 50 LEU A CA 265 19.97 1.0 ? -1 -1 True False False False True 265 5.286 -4.491 -14.849 1 ATOM C C . LEU A 1 50 . 50 LEU A C 266 20.68 1.0 ? -1 -1 True False False False True 266 6.498 -3.624 -14.94 1 ATOM O O . LEU A 1 50 . 50 LEU A O 267 25.0 1.0 ? -1 -1 True False False False True 267 6.849 -3.018 -13.927 1 ATOM C CB . LEU A 1 50 . 50 LEU A CB 268 20.22 1.0 ? -1 -1 True False False False True 268 5.874 -5.804 -14.355 1 ATOM C CG . LEU A 1 50 . 50 LEU A CG 269 16.32 1.0 ? -1 -1 True False False False True 269 5.066 -6.543 -13.457 1 ATOM C CD1 . LEU A 1 50 . 50 LEU A CD1 270 15.97 1.0 ? -1 -1 True False False False True 270 5.659 -7.902 -13.138 1 ATOM C CD2 . LEU A 1 50 . 50 LEU A CD2 271 11.59 1.0 ? -1 -1 True False False False True 271 4.498 -5.9 -12.254 1 ATOM N N . ALA A 1 51 . 51 ALA A N 272 19.72 1.0 ? -1 -1 True False False False True 272 7.104 -3.448 -16.105 1 ATOM C CA . ALA A 1 51 . 51 ALA A CA 273 21.08 1.0 ? -1 -1 True False False False True 273 8.215 -2.534 -16.233 1 ATOM C C . ALA A 1 51 . 51 ALA A C 274 16.99 1.0 ? -1 -1 True False False False True 274 7.822 -1.163 -15.841 1 ATOM O O . ALA A 1 51 . 51 ALA A O 275 17.59 1.0 ? -1 -1 True False False False True 275 8.644 -0.482 -15.248 1 ATOM C CB . ALA A 1 51 . 51 ALA A CB 276 22.86 1.0 ? -1 -1 True False False False True 276 8.829 -2.543 -17.665 1 ATOM N N . ALA A 1 52 . 52 ALA A N 277 12.15 1.0 ? -1 -1 True False False False True 277 6.609 -0.752 -16.148 1 ATOM C CA . ALA A 1 52 . 52 ALA A CA 278 10.37 1.0 ? -1 -1 True False False False True 278 6.17 0.616 -15.955 1 ATOM C C . ALA A 1 52 . 52 ALA A C 279 8.61 0.95 ? -1 -1 True False False False True 279 5.73 0.902 -14.509 1 ATOM O O . ALA A 1 52 . 52 ALA A O 280 12.21 0.95 ? -1 -1 True False False False True 280 5.632 2.063 -14.128 1 ATOM C CB . ALA A 1 52 . 52 ALA A CB 281 10.46 0.97 ? -1 -1 True False False False True 281 5.04 0.944 -16.884 1 ATOM N N . LEU A 1 53 . 53 LEU A N 282 7.85 1.0 ? -1 -1 True False False False True 282 5.367 -0.085 -13.739 1 ATOM C CA . LEU A 1 53 . 53 LEU A CA 283 7.45 1.0 ? -1 -1 True False False False True 283 4.656 0.134 -12.479 1 ATOM C C . LEU A 1 53 . 53 LEU A C 284 7.26 1.0 ? -1 -1 True False False False True 284 5.619 0.425 -11.327 1 ATOM O O . LEU A 1 53 . 53 LEU A O 285 8.01 1.0 ? -1 -1 True False False False True 285 6.566 -0.345 -11.078 1 ATOM C CB . LEU A 1 53 . 53 LEU A CB 286 7.83 1.0 ? -1 -1 True False False False True 286 3.815 -1.11 -12.15 1 ATOM C CG . LEU A 1 53 . 53 LEU A CG 287 8.08 1.0 ? -1 -1 True False False False True 287 3.022 -1.016 -10.849 1 ATOM C CD1 . LEU A 1 53 . 53 LEU A CD1 288 8.27 1.0 ? -1 -1 True False False False True 288 1.976 0.092 -10.891 1 ATOM C CD2 . LEU A 1 53 . 53 LEU A CD2 289 9.73 1.0 ? -1 -1 True False False False True 289 2.358 -2.325 -10.564 1 ATOM N N . ILE A 1 54 . 54 ILE A N 290 6.35 0.92 ? -1 -1 True False False False True 290 5.337 1.497 -10.602 1 ATOM C CA . ILE A 1 54 . 54 ILE A CA 291 7.09 1.0 ? -1 -1 True False False False True 291 6.039 1.814 -9.359 1 ATOM C C . ILE A 1 54 . 54 ILE A C 292 6.62 0.96 ? -1 -1 True False False False True 292 4.965 2.063 -8.295 1 ATOM O O . ILE A 1 54 . 54 ILE A O 293 7.38 0.98 ? -1 -1 True False False False True 293 4.038 2.837 -8.54 1 ATOM C CB . ILE A 1 54 . 54 ILE A CB 294 7.7 1.0 ? -1 -1 True False False False True 294 6.93 3.059 -9.494 1 ATOM C CG1 . ILE A 1 54 . 54 ILE A CG1 295 10.07 1.0 ? -1 -1 True False False False True 295 7.809 2.996 -10.735 1 ATOM C CG2 . ILE A 1 54 . 54 ILE A CG2 296 8.19 0.93 ? -1 -1 True False False False True 296 7.727 3.238 -8.214 1 ATOM C CD1 . ILE A 1 54 . 54 ILE A CD1 297 10.37 0.83 ? -1 -1 True False False False True 297 8.565 4.312 -11.004 1 ATOM N N . VAL A 1 55 . 55 VAL A N 298 6.85 0.99 ? -1 -1 True False False False True 298 5.078 1.396 -7.145 1 ATOM C CA . VAL A 1 55 . 55 VAL A CA 299 6.32 0.88 ? -1 -1 True False False False True 299 4.149 1.582 -6.037 1 ATOM C C . VAL A 1 55 . 55 VAL A C 300 7.09 0.95 ? -1 -1 True False False False True 300 4.941 1.88 -4.779 1 ATOM O O . VAL A 1 55 . 55 VAL A O 301 8.21 0.97 ? -1 -1 True False False False True 301 5.914 1.193 -4.488 1 ATOM C CB . VAL A 1 55 . 55 VAL A CB 302 7.12 0.9 ? -1 -1 True False False False True 302 3.248 0.345 -5.803 1 ATOM C CG1 . VAL A 1 55 . 55 VAL A CG1 303 6.88 0.75 ? -1 -1 True False False False True 303 2.319 0.532 -4.607 1 ATOM C CG2 . VAL A 1 55 . 55 VAL A CG2 304 7.9 0.85 ? -1 -1 True False False False True 304 2.457 -0.016 -7.061 1 ATOM N N . TYR A 1 56 . 56 TYR A N 305 6.83 0.97 ? -1 -1 True False False False True 305 4.525 2.897 -4.037 1 ATOM C CA . TYR A 1 56 . 56 TYR A CA 306 6.69 0.92 ? -1 -1 True False False False True 306 5.123 3.191 -2.741 1 ATOM C C . TYR A 1 56 . 56 TYR A C 307 6.7 0.97 ? -1 -1 True False False False True 307 4.015 3.477 -1.732 1 ATOM O O . TYR A 1 56 . 56 TYR A O 308 7.49 0.96 ? -1 -1 True False False False True 308 3.177 4.347 -1.966 1 ATOM C CB . TYR A 1 56 . 56 TYR A CB 309 7.49 0.98 ? -1 -1 True False False False True 309 6.1 4.376 -2.846 1 ATOM C CG . TYR A 1 56 . 56 TYR A CG 310 7.37 0.98 ? -1 -1 True False False True True 310 6.751 4.773 -1.557 1 ATOM C CD1 . TYR A 1 56 . 56 TYR A CD1 311 7.87 0.99 ? -1 -1 True False False False True 311 7.234 3.833 -0.662 1 ATOM C CD2 . TYR A 1 56 . 56 TYR A CD2 312 7.86 0.9 ? -1 -1 True False False False True 312 6.899 6.111 -1.213 1 ATOM C CE1 . TYR A 1 56 . 56 TYR A CE1 313 7.05 0.88 ? -1 -1 True False False False True 313 7.831 4.204 0.537 1 ATOM C CE2 . TYR A 1 56 . 56 TYR A CE2 314 7.78 0.89 ? -1 -1 True False False False True 314 7.495 6.506 -0.026 1 ATOM C CZ . TYR A 1 56 . 56 TYR A CZ 315 6.98 0.86 ? -1 -1 True False False False True 315 7.952 5.559 0.878 1 ATOM O OH . TYR A 1 56 . 56 TYR A OH 316 8.93 1.0 ? -1 -1 True False False True True 316 8.539 5.894 2.057 1 ATOM N N . TRP A 1 57 . 57 TRP A N 317 6.74 0.92 ? -1 -1 True False False False True 317 4.045 2.763 -0.612 1 ATOM C CA . TRP A 1 57 . 57 TRP A CA 318 7.46 0.92 ? -1 -1 True False False False True 318 3.2 3.026 0.538 1 ATOM C C . TRP A 1 57 . 57 TRP A C 319 7.81 1.0 ? -1 -1 True False False False True 319 4.037 3.565 1.683 1 ATOM O O . TRP A 1 57 . 57 TRP A O 320 8.28 1.0 ? -1 -1 True False False False True 320 5.059 2.968 2.042 1 ATOM C CB . TRP A 1 57 . 57 TRP A CB 321 8.15 0.96 ? -1 -1 True False False False True 321 2.499 1.747 1.014 1 ATOM C CG . TRP A 1 57 . 57 TRP A CG 322 8.03 0.99 ? -1 -1 True False False False True 322 1.365 1.261 0.172 1 ATOM C CD1 . TRP A 1 57 . 57 TRP A CD1 323 8.7 0.96 ? -1 -1 True False False False True 323 1.385 0.338 -0.801 1 ATOM C CD2 . TRP A 1 57 . 57 TRP A CD2 324 7.81 0.99 ? -1 -1 True False False False True 324 -0.031 1.638 0.346 1 ATOM N NE1 . TRP A 1 57 . 57 TRP A NE1 325 7.96 0.89 ? -1 -1 True False False False True 325 0.108 0.125 -1.287 1 ATOM C CE2 . TRP A 1 57 . 57 TRP A CE2 326 7.63 0.93 ? -1 -1 True False False False True 326 -0.78 0.884 -0.586 1 ATOM C CE3 . TRP A 1 57 . 57 TRP A CE3 327 7.7 0.95 ? -1 -1 True False False False True 327 -0.707 2.508 1.203 1 ATOM C CZ2 . TRP A 1 57 . 57 TRP A CZ2 328 7.74 0.88 ? -1 -1 True False False False True 328 -2.168 0.944 -0.609 1 ATOM C CZ3 . TRP A 1 57 . 57 TRP A CZ3 329 8.26 0.94 ? -1 -1 True False False False True 329 -2.074 2.562 1.147 1 ATOM C CH2 . TRP A 1 57 . 57 TRP A CH2 330 7.81 0.82 ? -1 -1 True False False False True 330 -2.791 1.774 0.24 1 ATOM N N . GLU A 1 58 . 58 GLU A N 331 7.81 1.0 ? -1 -1 True False False False True 331 3.576 4.664 2.285 1 ATOM C CA . GLU A 1 58 . 58 GLU A CA 332 8.31 1.0 ? -1 -1 True False False False True 332 4.261 5.347 3.369 1 ATOM C C . GLU A 1 58 . 58 GLU A C 333 8.71 1.0 ? -1 -1 True False False False True 333 3.266 5.739 4.444 1 ATOM O O . GLU A 1 58 . 58 GLU A O 334 8.36 0.85 ? -1 -1 True False False False True 334 2.121 6.062 4.144 1 ATOM C CB . GLU A 1 58 . 58 GLU A CB 335 8.56 1.0 ? -1 -1 True False False False True 335 4.932 6.623 2.828 1 ATOM C CG . GLU A 1 58 . 58 GLU A CG 336 8.94 0.9 ? -1 -1 True False False False True 336 5.861 7.299 3.829 1 ATOM C CD . GLU A 1 58 . 58 GLU A CD 337 8.75 0.86 ? -1 -1 True False False False True 337 6.526 8.498 3.208 1 ATOM O OE1 . GLU A 1 58 . 58 GLU A OE1 338 9.66 1.0 ? -1 -1 True False False False True 338 7.736 8.375 2.824 1 ATOM O OE2 . GLU A 1 58 . 58 GLU A OE2 339 10.55 0.91 ? -1 -1 True False False False True 339 5.872 9.554 3.055 1 ATOM N N . MET A 1 59 . 59 MET A N 340 8.79 0.9 ? -1 -1 True False False False True 340 3.715 5.734 5.7 1 ATOM C CA . MET A 1 59 . 59 MET A CA 341 9.4 0.9 ? -1 -1 True False False False True 341 2.974 6.396 6.775 1 ATOM C C . MET A 1 59 . 59 MET A C 342 9.59 0.9 ? -1 -1 True False False False True 342 3.993 7.115 7.631 1 ATOM O O . MET A 1 59 . 59 MET A O 343 9.79 0.9 ? -1 -1 True False False False True 343 5.087 6.591 7.824 1 ATOM C CB . MET A 1 59 . 59 MET A CB 344 11.48 0.9 ? -1 -1 True False False False True 344 1.998 5.483 7.521 1 ATOM C CG . MET A 1 59 . 59 MET A CG 345 12.08 0.9 ? -1 -1 True False False False True 345 2.606 4.512 8.441 1 ATOM S SD . MET A 1 59 . 59 MET A SD 346 13.51 0.9 ? -1 -1 True False False False True 346 2.887 5.153 10.114 1 ATOM C CE . MET A 1 59 . 59 MET A CE 347 16.6 0.9 ? -1 -1 True False False False True 347 1.196 5.122 10.649 1 ATOM N N . GLU A 1 60 . 60 GLU A N 348 11.33 1.0 ? -1 -1 True False False False True 348 3.667 8.313 8.147 1 ATOM C CA . GLU A 1 60 . 60 GLU A CA 349 11.53 0.85 ? -1 -1 True False False False True 349 4.65 9.131 8.82 1 ATOM C C . GLU A 1 60 . 60 GLU A C 350 11.65 0.88 ? -1 -1 True False False False True 350 5.856 9.251 7.863 1 ATOM O O . GLU A 1 60 . 60 GLU A O 351 12.35 0.91 ? -1 -1 True False False False True 351 5.662 9.55 6.689 1 ATOM C CB . GLU A 1 60 . 60 GLU A CB 352 11.78 0.8 ? -1 -1 True False False False True 352 4.947 8.621 10.248 1 ATOM C CG . GLU A 1 60 . 60 GLU A CG 353 12.24 0.82 ? -1 -1 True False False False True 353 3.728 8.558 11.165 1 ATOM C CD . GLU A 1 60 . 60 GLU A CD 354 14.12 0.9 ? -1 -1 True False False False True 354 3.911 7.79 12.469 1 ATOM O OE1 . GLU A 1 60 . 60 GLU A OE1 355 15.74 0.6 ? -1 -1 True False False False True 355 5.039 7.29 12.728 1 ATOM O OE2 . GLU A 1 60 . 60 GLU A OE2 356 14.32 0.58 ? -1 -1 True False False False True 356 2.973 7.684 13.22 1 ATOM N N . ASP A 1 61 . 61 ASP A N 357 11.22 0.89 ? -1 -1 True False False False True 357 7.043 9.044 8.34 1 ATOM C CA . ASP A 1 61 . 61 ASP A CA 358 12.01 1.0 ? -1 -1 True False False False True 358 8.244 9.049 7.523 1 ATOM C C . ASP A 1 61 . 61 ASP A C 359 10.83 1.0 ? -1 -1 True False False False True 359 8.791 7.66 7.286 1 ATOM O O . ASP A 1 61 . 61 ASP A O 360 12.26 1.0 ? -1 -1 True False False False True 360 9.992 7.506 7.013 1 ATOM C CB . ASP A 1 61 . 61 ASP A CB 361 14.01 1.0 ? -1 -1 True False False False True 361 9.322 9.936 8.128 1 ATOM C CG . ASP A 1 61 . 61 ASP A CG 362 16.77 1.0 ? -1 -1 True False False False True 362 9.811 9.459 9.5 1 ATOM O OD1 . ASP A 1 61 . 61 ASP A OD1 363 16.84 1.0 ? -1 -1 True False False False True 363 9.182 8.586 10.071 1 ATOM O OD2 . ASP A 1 61 . 61 ASP A OD2 364 22.14 1.0 ? -1 -1 True False False False True 364 10.846 9.925 10.024 1 ATOM N N . LYS A 1 62 . 62 LYS A N 365 9.9 1.0 ? -1 -1 True False False False True 365 7.952 6.638 7.366 1 ATOM C CA . LYS A 1 62 . 62 LYS A CA 366 9.58 0.98 ? -1 -1 True False False False True 366 8.368 5.232 7.31 1 ATOM C C . LYS A 1 62 . 62 LYS A C 367 8.38 0.93 ? -1 -1 True False False False True 367 8.009 4.597 5.973 1 ATOM O O . LYS A 1 62 . 62 LYS A O 368 8.62 0.98 ? -1 -1 True False False False True 368 6.865 4.653 5.501 1 ATOM C CB . LYS A 1 62 . 62 LYS A CB 369 10.55 0.98 ? -1 -1 True False False False True 369 7.679 4.443 8.404 1 ATOM C CG . LYS A 1 62 . 62 LYS A CG 370 12.73 0.88 ? -1 -1 True False False False True 370 7.949 4.907 9.824 1 ATOM C CD . LYS A 1 62 . 62 LYS A CD 371 16.99 1.0 ? -1 -1 True False False False True 371 7.147 4.095 10.844 1 ATOM C CE . LYS A 1 62 . 62 LYS A CE 372 19.05 0.53 ? -1 -1 True False False False True 372 7.336 4.575 12.249 1 ATOM N NZ . LYS A 1 62 . 62 LYS A NZ 373 19.33 0.24 +1 -1 -1 True False False False True 373 6.113 4.656 13.059 1 ATOM N N . ASN A 1 63 . 63 ASN A N 374 7.62 0.89 ? -1 -1 True False False False True 374 9.01 3.941 5.371 1 ATOM C CA . ASN A 1 63 . 63 ASN A CA 375 7.1 0.9 ? -1 -1 True False False False True 375 8.833 3.192 4.122 1 ATOM C C . ASN A 1 63 . 63 ASN A C 376 7.36 0.89 ? -1 -1 True False False False True 376 8.142 1.857 4.465 1 ATOM O O . ASN A 1 63 . 63 ASN A O 377 8.55 0.99 ? -1 -1 True False False False True 377 8.693 1.025 5.181 1 ATOM C CB . ASN A 1 63 . 63 ASN A CB 378 7.32 0.91 ? -1 -1 True False False False True 378 10.217 2.978 3.544 1 ATOM C CG . ASN A 1 63 . 63 ASN A CG 379 7.92 0.99 ? -1 -1 True False False False True 379 10.233 2.281 2.189 1 ATOM O OD1 . ASN A 1 63 . 63 ASN A OD1 380 8.68 1.0 ? -1 -1 True False False False True 380 9.602 1.22 2.017 1 ATOM N ND2 . ASN A 1 63 . 63 ASN A ND2 381 8.38 1.0 ? -1 -1 True False False False True 381 10.97 2.833 1.256 1 ATOM N N . ILE A 1 64 . 64 ILE A N 382 8.12 1.0 ? -1 -1 True False False False True 382 6.899 1.712 4.007 1 ATOM C CA . ILE A 1 64 . 64 ILE A CA 383 8.68 1.0 ? -1 -1 True False False False True 383 6.15 0.499 4.315 1 ATOM C C . ILE A 1 64 . 64 ILE A C 384 8.57 1.0 ? -1 -1 True False False False True 384 6.438 -0.551 3.266 1 ATOM O O . ILE A 1 64 . 64 ILE A O 385 10.02 0.94 ? -1 -1 True False False False True 385 6.866 -1.674 3.595 1 ATOM C CB . ILE A 1 64 . 64 ILE A CB 386 8.37 1.0 ? -1 -1 True False False False True 386 4.634 0.738 4.444 1 ATOM C CG1 . ILE A 1 64 . 64 ILE A CG1 387 7.99 0.89 ? -1 -1 True False False False True 387 4.272 1.88 5.386 1 ATOM C CG2 . ILE A 1 64 . 64 ILE A CG2 388 9.06 0.89 ? -1 -1 True False False False True 388 3.981 -0.579 4.873 1 ATOM C CD1 . ILE A 1 64 . 64 ILE A CD1 389 8.46 0.83 ? -1 -1 True False False False True 389 2.831 2.3 5.286 1 ATOM N N . ILE A 1 65 . 65 ILE A N 390 7.8 0.51 ? -1 -1 True False False False True 390 6.308 -0.171 2.005 1 ATOM C CA . ILE A 1 65 . 65 ILE A CA 391 7.6 0.51 ? -1 -1 True False False False True 391 6.698 -1.054 0.922 1 ATOM C C . ILE A 1 65 . 65 ILE A C 392 7.02 0.51 ? -1 -1 True False False False True 392 6.889 -0.241 -0.355 1 ATOM O O . ILE A 1 65 . 65 ILE A O 393 6.59 0.51 ? -1 -1 True False False False True 393 5.999 0.537 -0.743 1 ATOM C CB . ILE A 1 65 . 65 ILE A CB 394 8.77 0.51 ? -1 -1 True False False False True 394 5.637 -2.167 0.765 1 ATOM C CG1 . ILE A 1 65 . 65 ILE A CG1 395 9.19 0.51 ? -1 -1 True False False False True 395 6.141 -3.378 -0.014 1 ATOM C CG2 . ILE A 1 65 . 65 ILE A CG2 396 9.03 0.51 ? -1 -1 True False False False True 396 4.294 -1.652 0.139 1 ATOM C CD1 . ILE A 1 65 . 65 ILE A CD1 397 11.39 0.51 ? -1 -1 True False False False True 397 7.206 -4.111 0.696 1 ATOM N N . GLN A 1 66 . 66 GLN A N 398 6.74 0.51 ? -1 -1 True False False False True 398 8.038 -0.407 -1.006 1 ATOM C CA . GLN A 1 66 . 66 GLN A CA 399 7.19 0.51 ? -1 -1 True False False False True 399 8.225 0.117 -2.357 1 ATOM C C . GLN A 1 66 . 66 GLN A C 400 6.87 0.51 ? -1 -1 True False False False True 400 8.366 -1.065 -3.298 1 ATOM O O . GLN A 1 66 . 66 GLN A O 401 7.8 0.51 ? -1 -1 True False False False True 401 8.992 -2.084 -2.97 1 ATOM C CB . GLN A 1 66 . 66 GLN A CB 402 7.08 0.51 ? -1 -1 True False False False True 402 9.409 1.09 -2.5 1 ATOM C CG . GLN A 1 66 . 66 GLN A CG 403 7.26 0.51 ? -1 -1 True False False False True 403 10.798 0.428 -2.403 1 ATOM C CD . GLN A 1 66 . 66 GLN A CD 404 7.76 0.51 ? -1 -1 True False False False True 404 11.878 1.492 -2.34 1 ATOM O OE1 . GLN A 1 66 . 66 GLN A OE1 405 7.51 0.51 ? -1 -1 True False False False True 405 11.814 2.449 -1.573 1 ATOM N NE2 . GLN A 1 66 . 66 GLN A NE2 406 8.86 0.51 ? -1 -1 True False False False True 406 12.946 1.291 -3.129 1 ATOM N N . PHE A 1 67 . 67 PHE A N 407 7.48 0.97 ? -1 -1 True False False False True 407 7.844 -0.885 -4.483 1 ATOM C CA . PHE A 1 67 . 67 PHE A CA 408 7.31 0.96 ? -1 -1 True False False False True 408 7.742 -1.924 -5.526 1 ATOM C C . PHE A 1 67 . 67 PHE A C 409 6.49 0.86 ? -1 -1 True False False False True 409 8.103 -1.298 -6.849 1 ATOM O O . PHE A 1 67 . 67 PHE A O 410 7.21 0.91 ? -1 -1 True False False False True 410 7.511 -0.296 -7.264 1 ATOM C CB . PHE A 1 67 . 67 PHE A CB 411 7.8 0.97 ? -1 -1 True False False False True 411 6.295 -2.454 -5.536 1 ATOM C CG . PHE A 1 67 . 67 PHE A CG 412 7.94 1.0 ? -1 -1 True False False False True 412 6.058 -3.596 -6.478 1 ATOM C CD1 . PHE A 1 67 . 67 PHE A CD1 413 9.24 1.0 ? -1 -1 True False False False True 413 5.694 -3.394 -7.803 1 ATOM C CD2 . PHE A 1 67 . 67 PHE A CD2 414 8.81 1.0 ? -1 -1 True False False False True 414 6.212 -4.893 -6.023 1 ATOM C CE1 . PHE A 1 67 . 67 PHE A CE1 415 10.58 1.0 ? -1 -1 True False False False True 415 5.479 -4.511 -8.634 1 ATOM C CE2 . PHE A 1 67 . 67 PHE A CE2 416 9.12 0.93 ? -1 -1 True False False False True 416 5.984 -5.98 -6.85 1 ATOM C CZ . PHE A 1 67 . 67 PHE A CZ 417 9.63 0.91 ? -1 -1 True False False False True 417 5.609 -5.767 -8.128 1 ATOM N N . VAL A 1 68 . 68 VAL A N 418 7.5 0.94 ? -1 -1 True False False False True 418 9.103 -1.882 -7.519 1 ATOM C CA . VAL A 1 68 . 68 VAL A CA 419 8.77 1.0 ? -1 -1 True False False False True 419 9.635 -1.352 -8.772 1 ATOM C C . VAL A 1 68 . 68 VAL A C 420 8.76 0.98 ? -1 -1 True False False False True 420 10.208 -2.524 -9.553 1 ATOM O O . VAL A 1 68 . 68 VAL A O 421 9.37 0.99 ? -1 -1 True False False False True 421 10.738 -3.473 -8.97 1 ATOM C CB . VAL A 1 68 . 68 VAL A CB 422 10.77 0.77 ? -1 -1 True False False False True 422 10.611 -0.204 -8.542 1 ATOM C CG1 . VAL A 1 68 . 68 VAL A CG1 423 10.63 0.62 ? -1 -1 True False False False True 423 11.76 -0.608 -7.809 1 ATOM C CG2 . VAL A 1 68 . 68 VAL A CG2 424 12.17 0.65 ? -1 -1 True False False False True 424 11.038 0.478 -9.835 1 ATOM N N . HIS A 1 69 . 69 HIS A N 425 9.18 0.92 ? -1 -1 True False False False True 425 10.105 -2.472 -10.872 1 ATOM C CA . HIS A 1 69 . 69 HIS A CA 426 10.55 0.9 ? -1 -1 True False False False True 426 10.618 -3.54 -11.727 1 ATOM C C . HIS A 1 69 . 69 HIS A C 427 10.51 0.89 ? -1 -1 True False False False True 427 10.124 -4.914 -11.257 1 ATOM O O . HIS A 1 69 . 69 HIS A O 428 11.78 0.85 ? -1 -1 True False False False True 428 10.828 -5.929 -11.3 1 ATOM C CB . HIS A 1 69 . 69 HIS A CB 429 11.51 0.8 ? -1 -1 True False False False True 429 12.136 -3.542 -11.823 1 ATOM C CG . HIS A 1 69 . 69 HIS A CG 430 12.33 0.69 ? -1 -1 True False False False True 430 12.752 -2.418 -12.575 1 ATOM N ND1 . HIS A 1 69 . 69 HIS A ND1 431 13.17 0.48 +1 -1 -1 True False False False True 431 12.16 -1.424 -13.346 1 ATOM C CD2 . HIS A 1 69 . 69 HIS A CD2 432 11.51 0.51 ? -1 -1 True False False False True 432 14.081 -2.253 -12.734 1 ATOM C CE1 . HIS A 1 69 . 69 HIS A CE1 433 13.94 0.61 ? -1 -1 True False False False True 433 13.108 -0.676 -13.887 1 ATOM N NE2 . HIS A 1 69 . 69 HIS A NE2 434 13.99 0.35 ? -1 -1 True False False False True 434 14.264 -1.115 -13.466 1 ATOM N N . GLY A 1 70 . 70 GLY A N 435 10.07 1.0 ? -1 -1 True False False False True 435 8.866 -4.962 -10.84 1 ATOM C CA . GLY A 1 70 . 70 GLY A CA 436 10.33 0.98 ? -1 -1 True False False False True 436 8.208 -6.198 -10.488 1 ATOM C C . GLY A 1 70 . 70 GLY A C 437 9.48 0.98 ? -1 -1 True False False False True 437 8.551 -6.789 -9.139 1 ATOM O O . GLY A 1 70 . 70 GLY A O 438 10.13 0.96 ? -1 -1 True False False False True 438 8.12 -7.923 -8.886 1 ATOM N N . GLU A 1 71 . 71 GLU A N 439 8.9 1.0 ? -1 -1 True False False False True 439 9.305 -6.085 -8.284 1 ATOM C CA . GLU A 1 71 . 71 GLU A CA 440 9.0 1.0 ? -1 -1 True False False False True 440 9.753 -6.608 -7.027 1 ATOM C C . GLU A 1 71 . 71 GLU A C 441 8.39 1.0 ? -1 -1 True False False False True 441 9.63 -5.603 -5.894 1 ATOM O O . GLU A 1 71 . 71 GLU A O 442 8.86 0.97 ? -1 -1 True False False False True 442 9.809 -4.39 -6.089 1 ATOM C CB . GLU A 1 71 . 71 GLU A CB 443 10.56 1.0 ? -1 -1 True False False False True 443 11.216 -7.063 -7.101 1 ATOM C CG . GLU A 1 71 . 71 GLU A CG 444 13.01 1.0 ? -1 -1 True False False False True 444 11.439 -8.16 -8.135 1 ATOM C CD . GLU A 1 71 . 71 GLU A CD 445 14.83 1.0 ? -1 -1 True False False False True 445 12.849 -8.662 -8.09 1 ATOM O OE1 . GLU A 1 71 . 71 GLU A OE1 446 16.59 0.54 ? -1 -1 True False False False True 446 13.709 -8.16 -8.844 1 ATOM O OE2 . GLU A 1 71 . 71 GLU A OE2 447 14.26 0.9 ? -1 -1 True False False False True 447 13.094 -9.608 -7.329 1 ATOM N N . GLU A 1 72 . 72 GLU A N 448 8.22 0.96 ? -1 -1 True False False False True 448 9.363 -6.121 -4.692 1 ATOM C CA . GLU A 1 72 . 72 GLU A CA 449 8.78 1.0 ? -1 -1 True False False False True 449 9.456 -5.334 -3.475 1 ATOM C C . GLU A 1 72 . 72 GLU A C 450 9.16 1.0 ? -1 -1 True False False False True 450 10.918 -5.142 -3.092 1 ATOM O O . GLU A 1 72 . 72 GLU A O 451 11.98 0.88 ? -1 -1 True False False False True 451 11.715 -6.082 -3.168 1 ATOM C CB . GLU A 1 72 . 72 GLU A CB 452 8.67 0.93 ? -1 -1 True False False False True 452 8.774 -6.053 -2.313 1 ATOM C CG . GLU A 1 72 . 72 GLU A CG 453 9.62 0.96 ? -1 -1 True False False False True 453 7.273 -6.198 -2.488 1 ATOM C CD . GLU A 1 72 . 72 GLU A CD 454 10.82 1.0 ? -1 -1 True False False False True 454 6.561 -7.112 -1.471 1 ATOM O OE1 . GLU A 1 72 . 72 GLU A OE1 455 12.38 0.88 ? -1 -1 True False False False True 455 7.226 -7.967 -0.85 1 ATOM O OE2 . GLU A 1 72 . 72 GLU A OE2 456 13.22 1.0 ? -1 -1 True False False False True 456 5.337 -7.0 -1.344 1 ATOM N N . ASP A 1 73 . 73 ASP A N 457 8.3 0.68 ? -1 -1 True False False False True 457 11.28 -3.946 -2.605 1 ATOM C CA . ASP A 1 73 . 73 ASP A CA 458 8.39 0.68 ? -1 -1 True False False False True 458 12.643 -3.656 -2.143 1 ATOM C C . ASP A 1 73 . 73 ASP A C 459 8.47 0.68 ? -1 -1 True False False False True 459 12.634 -3.719 -0.615 1 ATOM O O . ASP A 1 73 . 73 ASP A O 460 9.87 0.68 ? -1 -1 True False False False True 460 12.545 -2.7 0.078 1 ATOM C CB . ASP A 1 73 . 73 ASP A CB 461 9.34 0.68 ? -1 -1 True False False False True 461 13.137 -2.328 -2.66 1 ATOM C CG . ASP A 1 73 . 73 ASP A CG 462 9.91 0.68 ? -1 -1 True False False False True 462 13.398 -2.235 -4.193 1 ATOM O OD1 . ASP A 1 73 . 73 ASP A OD1 463 10.39 0.68 ? -1 -1 True False False False True 463 13.465 -3.284 -4.868 1 ATOM O OD2 . ASP A 1 73 . 73 ASP A OD2 464 11.61 0.68 ? -1 -1 True False False False True 464 13.637 -1.054 -4.735 1 ATOM N N . LEU A 1 74 . 74 LEU A N 465 9.3 1.0 ? -1 -1 True False False False True 465 12.716 -4.939 -0.061 1 ATOM C CA . LEU A 1 74 . 74 LEU A CA 466 10.14 1.0 ? -1 -1 True False False False True 466 12.576 -5.122 1.361 1 ATOM C C . LEU A 1 74 . 74 LEU A C 467 9.93 1.0 ? -1 -1 True False False False True 467 13.779 -4.615 2.164 1 ATOM O O . LEU A 1 74 . 74 LEU A O 468 10.79 0.94 ? -1 -1 True False False False True 468 13.653 -4.39 3.356 1 ATOM C CB . LEU A 1 74 . 74 LEU A CB 469 11.28 0.98 ? -1 -1 True False False False True 469 12.273 -6.578 1.708 1 ATOM C CG . LEU A 1 74 . 74 LEU A CG 470 11.5 1.0 ? -1 -1 True False False False True 470 10.945 -7.088 1.14 1 ATOM C CD1 . LEU A 1 74 . 74 LEU A CD1 471 13.11 0.77 ? -1 -1 True False False False True 471 10.771 -8.587 1.452 1 ATOM C CD2 . LEU A 1 74 . 74 LEU A CD2 472 12.44 0.94 ? -1 -1 True False False False True 472 9.76 -6.313 1.641 1 ATOM N N . LYS A 1 75 . 75 LYS A N 473 9.17 0.48 ? -1 -1 True False False False True 473 14.907 -4.363 1.527 1 ATOM C CA . LYS A 1 75 . 75 LYS A CA 474 9.93 0.48 ? -1 -1 True False False False True 474 16.026 -3.833 2.276 1 ATOM C C . LYS A 1 75 . 75 LYS A C 475 10.35 0.48 ? -1 -1 True False False False True 475 15.795 -2.414 2.752 1 ATOM O O . LYS A 1 75 . 75 LYS A O 476 11.77 0.48 ? -1 -1 True False False False True 476 16.339 -2.029 3.803 1 ATOM C CB . LYS A 1 75 . 75 LYS A CB 477 11.5 0.48 ? -1 -1 True False False False True 477 17.343 -4.067 1.55 1 ATOM C CG . LYS A 1 75 . 75 LYS A CG 478 13.52 0.48 ? -1 -1 True False False False True 478 17.549 -5.552 1.277 1 ATOM C CD . LYS A 1 75 . 75 LYS A CD 479 14.23 0.48 ? -1 -1 True False False False True 479 18.916 -5.895 0.69 1 ATOM C CE . LYS A 1 75 . 75 LYS A CE 480 16.35 0.48 ? -1 -1 True False False False True 480 19.08 -7.354 0.334 1 ATOM N NZ . LYS A 1 75 . 75 LYS A NZ 481 18.97 0.48 +1 -1 -1 True False False False True 481 20.314 -7.666 -0.442 1 ATOM N N . VAL A 1 76 . 76 VAL A N 482 9.43 0.48 ? -1 -1 True False False False True 482 14.88 -1.693 2.116 1 ATOM C CA . VAL A 1 76 . 76 VAL A CA 483 10.3 0.48 ? -1 -1 True False False False True 483 14.584 -0.306 2.435 1 ATOM C C . VAL A 1 76 . 76 VAL A C 484 9.67 0.48 ? -1 -1 True False False False True 484 13.284 -0.156 3.205 1 ATOM O O . VAL A 1 76 . 76 VAL A O 485 10.13 0.48 ? -1 -1 True False False False True 485 12.9 0.946 3.586 1 ATOM C CB . VAL A 1 76 . 76 VAL A CB 486 13.02 0.48 ? -1 -1 True False False False True 486 14.687 0.502 1.115 1 ATOM C CG1 . VAL A 1 76 . 76 VAL A CG1 487 9.23 0.48 ? -1 -1 True False False False True 487 14.271 1.989 1.071 1 ATOM C CG2 . VAL A 1 76 . 76 VAL A CG2 488 13.14 0.48 ? -1 -1 True False False False True 488 16.138 0.467 0.66 1 ATOM N N . GLN A 1 77 . 77 GLN A N 489 8.88 1.0 ? -1 -1 True False False False True 489 12.572 -1.256 3.423 1 ATOM C CA . GLN A 1 77 . 77 GLN A CA 490 8.73 1.0 ? -1 -1 True False False False True 490 11.414 -1.243 4.258 1 ATOM C C . GLN A 1 77 . 77 GLN A C 491 8.87 1.0 ? -1 -1 True False False False True 491 11.797 -0.917 5.705 1 ATOM O O . GLN A 1 77 . 77 GLN A O 492 10.38 1.0 ? -1 -1 True False False False True 492 12.823 -1.4 6.208 1 ATOM C CB . GLN A 1 77 . 77 GLN A CB 493 8.99 1.0 ? -1 -1 True False False False True 493 10.767 -2.632 4.193 1 ATOM C CG . GLN A 1 77 . 77 GLN A CG 494 8.85 1.0 ? -1 -1 True False False False True 494 9.554 -2.798 5.126 1 ATOM C CD . GLN A 1 77 . 77 GLN A CD 495 8.81 1.0 ? -1 -1 True False False False True 495 8.968 -4.197 4.942 1 ATOM O OE1 . GLN A 1 77 . 77 GLN A OE1 496 10.53 1.0 ? -1 -1 True False False False True 496 9.6 -5.206 5.309 1 ATOM N NE2 . GLN A 1 77 . 77 GLN A NE2 497 9.1 1.0 ? -1 -1 True False False False True 497 7.746 -4.275 4.423 1 ATOM N N . HIS A 1 78 . 78 HIS A N 498 8.64 1.0 ? -1 -1 True False False False True 498 10.995 -0.117 6.374 1 ATOM C CA . HIS A 1 78 . 78 HIS A CA 499 9.1 1.0 ? -1 -1 True False False False True 499 11.248 0.193 7.787 1 ATOM C C . HIS A 1 78 . 78 HIS A C 500 9.13 0.94 ? -1 -1 True False False False True 500 11.198 -1.094 8.604 1 ATOM O O . HIS A 1 78 . 78 HIS A O 501 9.5 0.93 ? -1 -1 True False False False True 501 10.35 -1.957 8.38 1 ATOM C CB . HIS A 1 78 . 78 HIS A CB 502 9.56 1.0 ? -1 -1 True False False False True 502 10.204 1.221 8.265 1 ATOM C CG . HIS A 1 78 . 78 HIS A CG 503 10.91 1.0 ? -1 -1 True False False False True 503 10.502 1.78 9.587 1 ATOM N ND1 . HIS A 1 78 . 78 HIS A ND1 504 12.32 1.0 +1 -1 -1 True False False False True 504 10.125 1.165 10.782 1 ATOM C CD2 . HIS A 1 78 . 78 HIS A CD2 505 12.42 1.0 ? -1 -1 True False False False True 505 11.152 2.922 9.923 1 ATOM C CE1 . HIS A 1 78 . 78 HIS A CE1 506 13.27 0.95 ? -1 -1 True False False False True 506 10.546 1.943 11.773 1 ATOM N NE2 . HIS A 1 78 . 78 HIS A NE2 507 13.23 1.0 ? -1 -1 True False False False True 507 11.156 3.006 11.287 1 ATOM N N . SER A 1 79 . 79 SER A N 508 10.29 0.91 ? -1 -1 True False False False True 508 12.077 -1.191 9.595 1 ATOM C CA . SER A 1 79 . 79 SER A CA 509 12.45 0.96 ? -1 -1 True False False False True 509 12.212 -2.428 10.348 1 ATOM C C . SER A 1 79 . 79 SER A C 510 11.73 1.0 ? -1 -1 True False False False True 510 10.941 -2.819 11.084 1 ATOM O O . SER A 1 79 . 79 SER A O 511 12.82 0.91 ? -1 -1 True False False False True 511 10.724 -4.012 11.346 1 ATOM C CB . SER A 1 79 . 79 SER A CB 512 14.31 0.8 ? -1 -1 True False False False True 512 13.363 -2.291 11.36 1 ATOM O OG . SER A 1 79 . 79 SER A OG 513 16.67 0.79 ? -1 -1 True False False False True 513 13.109 -1.248 12.254 1 ATOM N N . SER A 1 80 . 80 SER A N 514 12.0 1.0 ? -1 -1 True False False False True 514 10.107 -1.848 11.435 1 ATOM C CA . SER A 1 80 . 80 SER A CA 515 11.83 0.91 ? -1 -1 True False False False True 515 8.865 -2.185 12.137 1 ATOM C C . SER A 1 80 . 80 SER A C 516 12.16 1.0 ? -1 -1 True False False False True 516 7.918 -3.036 11.308 1 ATOM O O . SER A 1 80 . 80 SER A O 517 13.86 0.96 ? -1 -1 True False False False True 517 6.998 -3.624 11.871 1 ATOM C CB . SER A 1 80 . 80 SER A CB 518 12.42 0.85 ? -1 -1 True False False False True 518 8.173 -0.935 12.578 1 ATOM O OG . SER A 1 80 . 80 SER A OG 519 14.01 1.0 ? -1 -1 True False False False True 519 7.769 -0.186 11.493 1 ATOM N N . TYR A 1 81 . 81 TYR A N 520 10.44 1.0 ? -1 -1 True False False False True 520 8.104 -3.067 9.995 1 ATOM C CA . TYR A 1 81 . 81 TYR A CA 521 10.4 0.96 ? -1 -1 True False False False True 521 7.259 -3.798 9.076 1 ATOM C C . TYR A 1 81 . 81 TYR A C 522 11.24 1.0 ? -1 -1 True False False False True 522 7.828 -5.15 8.644 1 ATOM O O . TYR A 1 81 . 81 TYR A O 523 10.81 0.95 ? -1 -1 True False False False True 523 7.191 -5.829 7.849 1 ATOM C CB . TYR A 1 81 . 81 TYR A CB 524 9.83 0.91 ? -1 -1 True False False False True 524 6.885 -2.989 7.845 1 ATOM C CG . TYR A 1 81 . 81 TYR A CG 525 9.83 1.0 ? -1 -1 True False False False True 525 6.185 -1.702 8.225 1 ATOM C CD1 . TYR A 1 81 . 81 TYR A CD1 526 9.87 0.91 ? -1 -1 True False False False True 526 4.962 -1.714 8.854 1 ATOM C CD2 . TYR A 1 81 . 81 TYR A CD2 527 8.93 0.85 ? -1 -1 True False False False True 527 6.759 -0.479 7.963 1 ATOM C CE1 . TYR A 1 81 . 81 TYR A CE1 528 9.3 0.82 ? -1 -1 True False False False True 528 4.324 -0.556 9.23 1 ATOM C CE2 . TYR A 1 81 . 81 TYR A CE2 529 8.36 0.73 ? -1 -1 True False False False True 529 6.152 0.691 8.315 1 ATOM C CZ . TYR A 1 81 . 81 TYR A CZ 530 8.98 0.91 ? -1 -1 True False False False True 530 4.909 0.659 8.97 1 ATOM O OH . TYR A 1 81 . 81 TYR A OH 531 10.94 0.89 ? -1 -1 True False False False True 531 4.334 1.853 9.29 1 ATOM N N . ARG A 1 82 . 82 ARG A N 532 12.84 1.0 ? -1 -1 True False False False True 532 8.996 -5.543 9.146 1 ATOM C CA . ARG A 1 82 . 82 ARG A CA 533 14.98 1.0 ? -1 -1 True False False False True 533 9.617 -6.775 8.695 1 ATOM C C . ARG A 1 82 . 82 ARG A C 534 13.72 1.0 ? -1 -1 True False False False True 534 8.68 -7.922 8.976 1 ATOM O O . ARG A 1 82 . 82 ARG A O 535 15.31 1.0 ? -1 -1 True False False False True 535 8.229 -8.129 10.108 1 ATOM C CB . ARG A 1 82 . 82 ARG A CB 536 19.76 1.0 ? -1 -1 True False False False True 536 11.055 -7.253 8.835 1 ATOM C CG . ARG A 1 82 . 82 ARG A CG 537 24.56 1.0 ? -1 -1 True False False False True 537 11.924 -7.034 7.607 1 ATOM C CD . ARG A 1 82 . 82 ARG A CD 538 28.27 1.0 ? -1 -1 True False False False True 538 13.254 -7.679 7.753 1 ATOM N NE . ARG A 1 82 . 82 ARG A NE 539 31.71 1.0 ? -1 -1 True False False False True 539 13.157 -9.13 7.736 1 ATOM C CZ . ARG A 1 82 . 82 ARG A CZ 540 0.0 0.0 ? -1 -1 True False False False True 540 14.175 -9.967 8.016 1 ATOM N NH1 . ARG A 1 82 . 82 ARG A NH1 541 0.0 0.0 ? -1 -1 True False False False True 541 15.356 -9.484 8.331 1 ATOM N NH2 . ARG A 1 82 . 82 ARG A NH2 542 0.0 0.0 +1 -1 -1 True False False False True 542 13.985 -11.275 7.973 1 ATOM N N . GLN A 1 83 . 83 GLN A N 543 13.31 1.0 ? -1 -1 True False False False True 543 8.461 -8.727 7.96 1 ATOM C CA . GLN A 1 83 . 83 GLN A CA 544 14.99 1.0 ? -1 -1 True False False False True 544 7.584 -9.893 8.054 1 ATOM C C . GLN A 1 83 . 83 GLN A C 545 14.04 1.0 ? -1 -1 True False False False True 545 6.141 -9.524 8.35 1 ATOM O O . GLN A 1 83 . 83 GLN A O 546 15.05 0.68 ? -1 -1 True False False False True 546 5.343 -10.428 8.671 1 ATOM C CB . GLN A 1 83 . 83 GLN A CB 547 19.88 1.0 ? -1 -1 True False False False True 547 8.081 -10.934 9.065 1 ATOM C CG . GLN A 1 83 . 83 GLN A CG 548 22.52 0.78 ? -1 -1 True False False False True 548 9.475 -11.449 8.708 1 ATOM C CD . GLN A 1 83 . 83 GLN A CD 549 25.07 0.77 ? -1 -1 True False False False True 549 9.477 -12.571 7.651 1 ATOM O OE1 . GLN A 1 83 . 83 GLN A OE1 550 26.2 0.25 ? -1 -1 True False False False True 550 9.479 -12.325 6.463 1 ATOM N NE2 . GLN A 1 83 . 83 GLN A NE2 551 24.81 0.64 ? -1 -1 True False False False True 551 9.432 -13.834 8.139 1 ATOM N N . ARG A 1 84 . 84 ARG A N 552 12.97 0.38 ? -1 -1 True False False False True 552 5.75 -8.297 8.208 1 ATOM C CA . ARG A 1 84 . 84 ARG A CA 553 13.12 0.38 ? -1 -1 True False False False True 553 4.353 -8.043 8.49 1 ATOM C C . ARG A 1 84 . 84 ARG A C 554 11.79 0.38 ? -1 -1 True False False False True 554 3.749 -6.944 7.618 1 ATOM O O . ARG A 1 84 . 84 ARG A O 555 11.66 0.38 ? -1 -1 True False False False True 555 2.648 -6.507 7.977 1 ATOM C CB . ARG A 1 84 . 84 ARG A CB 556 14.37 0.38 ? -1 -1 True False False False True 556 4.104 -7.77 9.988 1 ATOM C CG . ARG A 1 84 . 84 ARG A CG 557 15.9 0.38 ? -1 -1 True False False False True 557 4.798 -6.583 10.513 1 ATOM C CD . ARG A 1 84 . 84 ARG A CD 558 16.82 0.38 ? -1 -1 True False False False True 558 4.179 -6.187 11.885 1 ATOM N NE . ARG A 1 84 . 84 ARG A NE 559 16.08 0.38 ? -1 -1 True False False False True 559 4.291 -4.746 11.995 1 ATOM C CZ . ARG A 1 84 . 84 ARG A CZ 560 15.81 0.38 ? -1 -1 True False False False True 560 3.302 -3.892 12.21 1 ATOM N NH1 . ARG A 1 84 . 84 ARG A NH1 561 15.6 0.38 ? -1 -1 True False False False True 561 2.065 -4.325 12.438 1 ATOM N NH2 . ARG A 1 84 . 84 ARG A NH2 562 16.32 0.38 +1 -1 -1 True False False False True 562 3.585 -2.591 12.241 1 ATOM N N . ALA A 1 85 . 85 ALA A N 563 10.6 1.0 ? -1 -1 True False False False True 563 4.408 -6.409 6.547 1 ATOM C CA . ALA A 1 85 . 85 ALA A CA 564 9.81 1.0 ? -1 -1 True False False False True 564 3.761 -5.608 5.499 1 ATOM C C . ALA A 1 85 . 85 ALA A C 565 9.51 1.0 ? -1 -1 True False False False True 565 4.204 -6.111 4.147 1 ATOM O O . ALA A 1 85 . 85 ALA A O 566 9.89 0.92 ? -1 -1 True False False False True 566 5.403 -6.322 3.92 1 ATOM C CB . ALA A 1 85 . 85 ALA A CB 567 9.84 0.92 ? -1 -1 True False False False True 567 4.11 -4.143 5.616 1 ATOM N N . ARG A 1 86 . 86 ARG A N 568 9.28 1.0 ? -1 -1 True False False False True 568 3.24 -6.282 3.249 1 ATOM C CA . ARG A 1 86 . 86 ARG A CA 569 10.08 1.0 ? -1 -1 True False False False True 569 3.516 -6.719 1.872 1 ATOM C C . ARG A 1 86 . 86 ARG A C 570 9.26 1.0 ? -1 -1 True False False False True 570 2.407 -6.229 0.965 1 ATOM O O . ARG A 1 86 . 86 ARG A O 571 10.67 1.0 ? -1 -1 True False False False True 571 1.313 -5.912 1.424 1 ATOM C CB . ARG A 1 86 . 86 ARG A CB 572 12.13 1.0 ? -1 -1 True False False False True 572 3.555 -8.274 1.788 1 ATOM C CG . ARG A 1 86 . 86 ARG A CG 573 14.07 1.0 ? -1 -1 True False False False True 573 2.203 -8.921 2.044 1 ATOM C CD . ARG A 1 86 . 86 ARG A CD 574 21.95 1.0 ? -1 -1 True False False False True 574 2.25 -10.442 2.036 1 ATOM N NE . ARG A 1 86 . 86 ARG A NE 575 31.92 1.0 ? -1 -1 True False False False True 575 0.962 -11.034 2.474 1 ATOM C CZ . ARG A 1 86 . 86 ARG A CZ 576 39.3 1.0 ? -1 -1 True False False False True 576 0.15 -11.805 1.74 1 ATOM N NH1 . ARG A 1 86 . 86 ARG A NH1 577 42.1 1.0 ? -1 -1 True False False False True 577 0.476 -12.17 0.506 1 ATOM N NH2 . ARG A 1 86 . 86 ARG A NH2 578 41.06 1.0 +1 -1 -1 True False False False True 578 -0.993 -12.247 2.284 1 ATOM N N . LEU A 1 87 . 87 LEU A N 579 8.52 0.68 ? -1 -1 True False False False True 579 2.696 -6.183 -0.327 1 ATOM C CA . LEU A 1 87 . 87 LEU A CA 580 7.68 0.68 ? -1 -1 True False False False True 580 1.639 -6.067 -1.336 1 ATOM C C . LEU A 1 87 . 87 LEU A C 581 8.62 0.68 ? -1 -1 True False False False True 581 1.102 -7.43 -1.691 1 ATOM O O . LEU A 1 87 . 87 LEU A O 582 10.38 0.68 ? -1 -1 True False False False True 582 1.84 -8.413 -1.777 1 ATOM C CB . LEU A 1 87 . 87 LEU A CB 583 8.48 0.68 ? -1 -1 True False False False True 583 2.131 -5.451 -2.631 1 ATOM C CG . LEU A 1 87 . 87 LEU A CG 584 8.2 0.68 ? -1 -1 True False False False True 584 2.474 -3.98 -2.565 1 ATOM C CD1 . LEU A 1 87 . 87 LEU A CD1 585 10.38 0.68 ? -1 -1 True False False False True 585 3.205 -3.526 -3.83 1 ATOM C CD2 . LEU A 1 87 . 87 LEU A CD2 586 10.75 0.68 ? -1 -1 True False False False True 586 1.154 -3.145 -2.499 1 ATOM N N . LEU A 1 88 . 88 LEU A N 587 9.7 1.0 ? -1 -1 True False False False True 587 -0.191 -7.503 -1.959 1 ATOM C CA . LEU A 1 88 . 88 LEU A CA 588 9.53 1.0 ? -1 -1 True False False False True 588 -0.824 -8.702 -2.523 1 ATOM C C . LEU A 1 88 . 88 LEU A C 589 9.66 1.0 ? -1 -1 True False False False True 589 -0.544 -8.631 -4.022 1 ATOM O O . LEU A 1 88 . 88 LEU A O 590 10.19 0.99 ? -1 -1 True False False False True 590 -1.26 -7.967 -4.785 1 ATOM C CB . LEU A 1 88 . 88 LEU A CB 591 10.83 1.0 ? -1 -1 True False False False True 591 -2.313 -8.728 -2.186 1 ATOM C CG . LEU A 1 88 . 88 LEU A CG 592 11.34 0.75 ? -1 -1 True False False False True 592 -2.629 -8.634 -0.67 1 ATOM C CD1 . LEU A 1 88 . 88 LEU A CD1 593 11.75 0.64 ? -1 -1 True False False False True 593 -4.13 -8.767 -0.474 1 ATOM C CD2 . LEU A 1 88 . 88 LEU A CD2 594 12.1 0.69 ? -1 -1 True False False False True 594 -1.879 -9.688 0.164 1 ATOM N N . LYS A 1 89 . 89 LYS A N 595 9.93 0.43 ? -1 -1 True False False False True 595 0.556 -9.234 -4.461 1 ATOM C CA . LYS A 1 89 . 89 LYS A CA 596 9.85 0.43 ? -1 -1 True False False False True 596 1.084 -8.888 -5.79 1 ATOM C C . LYS A 1 89 . 89 LYS A C 597 11.08 0.43 ? -1 -1 True False False False True 597 0.228 -9.439 -6.93 1 ATOM O O . LYS A 1 89 . 89 LYS A O 598 10.49 0.43 ? -1 -1 True False False False True 598 0.196 -8.859 -8.029 1 ATOM C CB . LYS A 1 89 . 89 LYS A CB 599 9.33 0.43 ? -1 -1 True False False False True 599 2.572 -9.239 -5.857 1 ATOM C CG . LYS A 1 89 . 89 LYS A CG 600 8.92 0.43 ? -1 -1 True False False False True 600 3.454 -8.349 -4.978 1 ATOM C CD . LYS A 1 89 . 89 LYS A CD 601 10.65 0.43 ? -1 -1 True False False False True 601 4.845 -8.805 -4.695 1 ATOM C CE . LYS A 1 89 . 89 LYS A CE 602 10.63 0.43 ? -1 -1 True False False False True 602 4.801 -9.966 -3.676 1 ATOM N NZ . LYS A 1 89 . 89 LYS A NZ 603 10.93 0.43 +1 -1 -1 True False False False True 603 4.349 -9.562 -2.299 1 ATOM N N . ASP A 1 90 . 90 ASP A N 604 12.92 1.0 ? -1 -1 True False False False True 604 -0.537 -10.495 -6.699 1 ATOM C CA . ASP A 1 90 . 90 ASP A CA 605 15.52 1.0 ? -1 -1 True False False False True 605 -1.487 -10.924 -7.744 1 ATOM C C . ASP A 1 90 . 90 ASP A C 606 14.17 1.0 ? -1 -1 True False False False True 606 -2.656 -9.943 -7.956 1 ATOM O O . ASP A 1 90 . 90 ASP A O 607 18.08 0.87 ? -1 -1 True False False False True 607 -3.276 -9.953 -9.017 1 ATOM C CB . ASP A 1 90 . 90 ASP A CB 608 21.51 1.0 ? -1 -1 True False False False True 608 -1.911 -12.379 -7.505 1 ATOM C CG . ASP A 1 90 . 90 ASP A CG 609 24.6 1.0 ? -1 -1 True False False False True 609 -2.65 -12.598 -6.257 1 ATOM O OD1 . ASP A 1 90 . 90 ASP A OD1 610 23.89 0.96 ? -1 -1 True False False False True 610 -2.849 -11.705 -5.379 1 ATOM O OD2 . ASP A 1 90 . 90 ASP A OD2 611 26.82 0.67 ? -1 -1 True False False False True 611 -3.044 -13.809 -6.153 1 ATOM N N . GLN A 1 91 . 91 GLN A N 612 11.75 1.0 ? -1 -1 True False False False True 612 -2.871 -9.023 -7.071 1 ATOM C CA . GLN A 1 91 . 91 GLN A CA 613 12.16 0.99 ? -1 -1 True False False False True 613 -3.885 -8.001 -7.272 1 ATOM C C . GLN A 1 91 . 91 GLN A C 614 11.19 1.0 ? -1 -1 True False False False True 614 -3.414 -6.886 -8.182 1 ATOM O O . GLN A 1 91 . 91 GLN A O 615 10.99 1.0 ? -1 -1 True False False False True 615 -4.245 -6.168 -8.741 1 ATOM C CB . GLN A 1 91 . 91 GLN A CB 616 12.95 1.0 ? -1 -1 True False False False True 616 -4.342 -7.407 -5.901 1 ATOM C CG . GLN A 1 91 . 91 GLN A CG 617 14.05 0.87 ? -1 -1 True False False False True 617 -5.193 -8.334 -5.108 1 ATOM C CD . GLN A 1 91 . 91 GLN A CD 618 15.13 0.83 ? -1 -1 True False False False True 618 -6.583 -8.482 -5.751 1 ATOM O OE1 . GLN A 1 91 . 91 GLN A OE1 619 15.75 0.77 ? -1 -1 True False False False True 619 -7.288 -7.488 -6.081 1 ATOM N NE2 . GLN A 1 91 . 91 GLN A NE2 620 17.64 0.96 ? -1 -1 True False False False True 620 -6.945 -9.713 -6.01 1 ATOM N N . LEU A 1 92 . 92 LEU A N 621 11.38 0.96 ? -1 -1 True False False False True 621 -2.13 -6.71 -8.373 1 ATOM C CA . LEU A 1 92 . 92 LEU A CA 622 11.85 1.0 ? -1 -1 True False False False True 622 -1.633 -5.617 -9.194 1 ATOM C C . LEU A 1 92 . 92 LEU A C 623 13.86 1.0 ? -1 -1 True False False False True 623 -2.117 -5.709 -10.619 1 ATOM O O . LEU A 1 92 . 92 LEU A O 624 15.19 1.0 ? -1 -1 True False False False True 624 -2.393 -4.708 -11.246 1 ATOM C CB . LEU A 1 92 . 92 LEU A CB 625 12.75 1.0 ? -1 -1 True False False False True 625 -0.097 -5.573 -9.146 1 ATOM C CG . LEU A 1 92 . 92 LEU A CG 626 11.64 0.98 ? -1 -1 True False False False True 626 0.505 -5.259 -7.802 1 ATOM C CD1 . LEU A 1 92 . 92 LEU A CD1 627 13.05 0.84 ? -1 -1 True False False False True 627 1.987 -5.553 -7.81 1 ATOM C CD2 . LEU A 1 92 . 92 LEU A CD2 628 10.5 0.93 ? -1 -1 True False False False True 628 0.197 -3.807 -7.36 1 ATOM N N . SER A 1 93 . 93 SER A N 629 16.82 0.61 ? -1 -1 True False False False True 629 -2.28 -6.91 -11.188 1 ATOM C CA . SER A 1 93 . 93 SER A CA 630 18.85 0.61 ? -1 -1 True False False False True 630 -2.798 -7.008 -12.582 1 ATOM C C . SER A 1 93 . 93 SER A C 631 19.81 0.61 ? -1 -1 True False False False True 631 -4.251 -6.667 -12.721 1 ATOM O O . SER A 1 93 . 93 SER A O 632 22.24 0.61 ? -1 -1 True False False False True 632 -4.743 -6.613 -13.866 1 ATOM C CB . SER A 1 93 . 93 SER A CB 633 20.22 0.61 ? -1 -1 True False False False True 633 -2.581 -8.353 -13.212 1 ATOM O OG . SER A 1 93 . 93 SER A OG 634 18.98 0.61 ? -1 -1 True False False False True 634 -3.432 -9.278 -12.577 1 ATOM N N . LEU A 1 94 . 94 LEU A N 635 18.4 1.0 ? -1 -1 True False False False True 635 -4.938 -6.565 -11.609 1 ATOM C CA . LEU A 1 94 . 94 LEU A CA 636 18.34 1.0 ? -1 -1 True False False False True 636 -6.28 -6.132 -11.594 1 ATOM C C . LEU A 1 94 . 94 LEU A C 637 16.32 1.0 ? -1 -1 True False False False True 637 -6.337 -4.653 -11.347 1 ATOM O O . LEU A 1 94 . 94 LEU A O 638 16.5 0.78 ? -1 -1 True False False False True 638 -7.414 -4.129 -11.18 1 ATOM C CB . LEU A 1 94 . 94 LEU A CB 639 18.55 1.0 ? -1 -1 True False False False True 639 -7.061 -6.895 -10.542 1 ATOM C CG . LEU A 1 94 . 94 LEU A CG 640 18.99 0.91 ? -1 -1 True False False False True 640 -7.028 -8.382 -10.672 1 ATOM C CD1 . LEU A 1 94 . 94 LEU A CD1 641 19.54 0.75 ? -1 -1 True False False False True 641 -7.84 -9.018 -9.531 1 ATOM C CD2 . LEU A 1 94 . 94 LEU A CD2 642 18.62 0.78 ? -1 -1 True False False False True 642 -7.578 -8.799 -12.026 1 ATOM N N . GLY A 1 95 . 95 GLY A N 643 12.8 1.0 ? -1 -1 True False False False True 643 -5.198 -3.963 -11.283 1 ATOM C CA . GLY A 1 95 . 95 GLY A CA 644 11.36 1.0 ? -1 -1 True False False False True 644 -5.214 -2.556 -10.956 1 ATOM C C . GLY A 1 95 . 95 GLY A C 645 9.63 1.0 ? -1 -1 True False False False True 645 -5.465 -2.261 -9.515 1 ATOM O O . GLY A 1 95 . 95 GLY A O 646 11.0 1.0 ? -1 -1 True False False False True 646 -5.978 -1.202 -9.19 1 ATOM N N . ASN A 1 96 . 96 ASN A N 647 9.35 0.98 ? -1 -1 True False False False True 647 -5.086 -3.141 -8.607 1 ATOM C CA . ASN A 1 96 . 96 ASN A CA 648 8.8 0.99 ? -1 -1 True False False False True 648 -5.319 -2.957 -7.174 1 ATOM C C . ASN A 1 96 . 96 ASN A C 649 8.38 1.0 ? -1 -1 True False False False True 649 -3.971 -3.079 -6.453 1 ATOM O O . ASN A 1 96 . 96 ASN A O 650 9.29 1.0 ? -1 -1 True False False False True 650 -3.343 -4.143 -6.493 1 ATOM C CB . ASN A 1 96 . 96 ASN A CB 651 9.9 1.0 ? -1 -1 True False False False True 651 -6.289 -4.0 -6.678 1 ATOM C CG . ASN A 1 96 . 96 ASN A CG 652 10.84 1.0 ? -1 -1 True False False False True 652 -6.665 -3.857 -5.24 1 ATOM O OD1 . ASN A 1 96 . 96 ASN A OD1 653 10.51 0.78 ? -1 -1 True False False False True 653 -6.442 -2.812 -4.605 1 ATOM N ND2 . ASN A 1 96 . 96 ASN A ND2 654 11.31 0.87 ? -1 -1 True False False False True 654 -7.159 -4.944 -4.659 1 ATOM N N . ALA A 1 97 . 97 ALA A N 655 7.36 0.92 ? -1 -1 True False False False True 655 -3.545 -1.976 -5.836 1 ATOM C CA . ALA A 1 97 . 97 ALA A CA 656 7.26 0.87 ? -1 -1 True False False False True 656 -2.395 -1.951 -4.951 1 ATOM C C . ALA A 1 97 . 97 ALA A C 657 6.88 0.87 ? -1 -1 True False False False True 657 -2.929 -2.161 -3.532 1 ATOM O O . ALA A 1 97 . 97 ALA A O 658 7.98 0.89 ? -1 -1 True False False False True 658 -3.523 -1.244 -2.935 1 ATOM C CB . ALA A 1 97 . 97 ALA A CB 659 7.47 0.79 ? -1 -1 True False False False True 659 -1.65 -0.622 -5.078 1 ATOM N N . ALA A 1 98 . 98 ALA A N 660 7.37 0.97 ? -1 -1 True False False False True 660 -2.813 -3.389 -3.047 1 ATOM C CA . ALA A 1 98 . 98 ALA A CA 661 7.63 0.99 ? -1 -1 True False False False True 661 -3.414 -3.826 -1.814 1 ATOM C C . ALA A 1 98 . 98 ALA A C 662 7.09 0.88 ? -1 -1 True False False False True 662 -2.285 -4.101 -0.823 1 ATOM O O . ALA A 1 98 . 98 ALA A O 663 8.11 0.89 ? -1 -1 True False False False True 663 -1.501 -5.056 -0.997 1 ATOM C CB . ALA A 1 98 . 98 ALA A CB 664 8.91 1.0 ? -1 -1 True False False False True 664 -4.241 -5.067 -2.041 1 ATOM N N . LEU A 1 99 . 99 LEU A N 665 6.93 0.88 ? -1 -1 True False False False True 665 -2.203 -3.249 0.195 1 ATOM C CA . LEU A 1 99 . 99 LEU A CA 666 6.75 0.88 ? -1 -1 True False False False True 666 -1.197 -3.357 1.267 1 ATOM C C . LEU A 1 99 . 99 LEU A C 667 6.87 0.88 ? -1 -1 True False False False True 667 -1.796 -4.126 2.416 1 ATOM O O . LEU A 1 99 . 99 LEU A O 668 7.3 0.88 ? -1 -1 True False False False True 668 -2.79 -3.682 3.007 1 ATOM C CB . LEU A 1 99 . 99 LEU A CB 669 7.53 0.88 ? -1 -1 True False False False True 669 -0.803 -1.957 1.734 1 ATOM C CG . LEU A 1 99 . 99 LEU A CG 670 8.38 0.88 ? -1 -1 True False False False True 670 0.052 -1.899 2.988 1 ATOM C CD1 . LEU A 1 99 . 99 LEU A CD1 671 11.51 0.88 ? -1 -1 True False False False True 671 1.429 -2.459 2.698 1 ATOM C CD2 . LEU A 1 99 . 99 LEU A CD2 672 8.92 0.88 ? -1 -1 True False False False True 672 0.172 -0.47 3.504 1 ATOM N N . GLN A 1 100 . 100 GLN A N 673 8.46 1.0 ? -1 -1 True False False False True 673 -1.193 -5.246 2.756 1 ATOM C CA . GLN A 1 100 . 100 GLN A CA 674 9.08 1.0 ? -1 -1 True False False False True 674 -1.591 -6.003 3.947 1 ATOM C C . GLN A 1 100 . 100 GLN A C 675 9.05 1.0 ? -1 -1 True False False False True 675 -0.558 -5.804 5.045 1 ATOM O O . GLN A 1 100 . 100 GLN A O 676 10.64 0.94 ? -1 -1 True False False False True 676 0.642 -5.983 4.821 1 ATOM C CB . GLN A 1 100 . 100 GLN A CB 677 10.79 1.0 ? -1 -1 True False False False True 677 -1.715 -7.495 3.602 1 ATOM C CG . GLN A 1 100 . 100 GLN A CG 678 14.84 0.98 ? -1 -1 True False False False True 678 -2.212 -8.278 4.814 1 ATOM C CD . GLN A 1 100 . 100 GLN A CD 679 20.94 0.73 ? -1 -1 True False False False True 679 -2.067 -9.797 4.557 1 ATOM O OE1 . GLN A 1 100 . 100 GLN A OE1 680 21.66 0.62 ? -1 -1 True False False False True 680 -0.978 -10.339 4.43 1 ATOM N NE2 . GLN A 1 100 . 100 GLN A NE2 681 23.42 0.58 ? -1 -1 True False False False True 681 -3.142 -10.451 4.38 1 ATOM N N . ILE A 1 101 . 101 ILE A N 682 9.22 1.0 ? -1 -1 True False False False True 682 -1.049 -5.46 6.235 1 ATOM C CA . ILE A 1 101 . 101 ILE A CA 683 9.42 1.0 ? -1 -1 True False False False True 683 -0.231 -5.374 7.434 1 ATOM C C . ILE A 1 101 . 101 ILE A C 684 9.7 0.92 ? -1 -1 True False False False True 684 -0.813 -6.357 8.445 1 ATOM O O . ILE A 1 101 . 101 ILE A O 685 11.3 0.98 ? -1 -1 True False False False True 685 -1.997 -6.274 8.78 1 ATOM C CB . ILE A 1 101 . 101 ILE A CB 686 10.94 0.97 ? -1 -1 True False False False True 686 -0.163 -3.943 8.007 1 ATOM C CG1 . ILE A 1 101 . 101 ILE A CG1 687 11.15 0.89 ? -1 -1 True False False False True 687 0.538 -3.012 6.97 1 ATOM C CG2 . ILE A 1 101 . 101 ILE A CG2 688 14.03 0.92 ? -1 -1 True False False False True 688 0.564 -3.973 9.332 1 ATOM C CD1 . ILE A 1 101 . 101 ILE A CD1 689 10.58 0.68 ? -1 -1 True False False False True 689 0.686 -1.581 7.394 1 ATOM N N . THR A 1 102 . 102 THR A N 690 10.28 1.0 ? -1 -1 True False False False True 690 0.019 -7.26 8.932 1 ATOM C CA . THR A 1 102 . 102 THR A CA 691 11.24 1.0 ? -1 -1 True False False False True 691 -0.391 -8.246 9.902 1 ATOM C C . THR A 1 102 . 102 THR A C 692 11.26 1.0 ? -1 -1 True False False False True 692 -0.109 -7.761 11.328 1 ATOM O O . THR A 1 102 . 102 THR A O 693 12.24 0.84 ? -1 -1 True False False False True 693 0.843 -7.031 11.584 1 ATOM C CB . THR A 1 102 . 102 THR A CB 694 13.66 0.93 ? -1 -1 True False False False True 694 0.209 -9.61 9.622 1 ATOM O OG1 . THR A 1 102 . 102 THR A OG1 695 12.24 0.6 ? -1 -1 True False False False True 695 1.555 -9.558 9.716 1 ATOM C CG2 . THR A 1 102 . 102 THR A CG2 696 16.66 0.92 ? -1 -1 True False False False True 696 -0.099 -10.084 8.259 1 ATOM N N . ASP A 1 103 . 103 ASP A N 697 11.87 0.99 ? -1 -1 True False False False True 697 -0.972 -8.21 12.228 1 ATOM C CA . ASP A 1 103 . 103 ASP A CA 698 13.09 0.98 ? -1 -1 True False False False True 698 -0.857 -7.976 13.661 1 ATOM C C . ASP A 1 103 . 103 ASP A C 699 11.84 1.0 ? -1 -1 True False False False True 699 -0.768 -6.472 13.962 1 ATOM O O . ASP A 1 103 . 103 ASP A O 700 13.09 1.0 ? -1 -1 True False False False True 700 0.23 -5.908 14.422 1 ATOM C CB . ASP A 1 103 . 103 ASP A CB 701 14.28 0.88 ? -1 -1 True False False False True 701 0.318 -8.729 14.254 1 ATOM C CG . ASP A 1 103 . 103 ASP A CG 702 17.48 0.75 ? -1 -1 True False False False True 702 0.277 -8.753 15.753 1 ATOM O OD1 . ASP A 1 103 . 103 ASP A OD1 703 18.87 0.71 ? -1 -1 True False False False True 703 -0.736 -8.356 16.373 1 ATOM O OD2 . ASP A 1 103 . 103 ASP A OD2 704 18.89 0.56 ? -1 -1 True False False False True 704 1.279 -9.172 16.34 1 ATOM N N . VAL A 1 104 . 104 VAL A N 705 11.98 1.0 ? -1 -1 True False False False True 705 -1.897 -5.822 13.671 1 ATOM C CA . VAL A 1 104 . 104 VAL A CA 706 11.63 1.0 ? -1 -1 True False False False True 706 -2.014 -4.374 13.79 1 ATOM C C . VAL A 1 104 . 104 VAL A C 707 11.65 0.98 ? -1 -1 True False False False True 707 -1.84 -3.907 15.233 1 ATOM O O . VAL A 1 104 . 104 VAL A O 708 13.57 0.87 ? -1 -1 True False False False True 708 -2.397 -4.498 16.178 1 ATOM C CB . VAL A 1 104 . 104 VAL A CB 709 14.29 0.99 ? -1 -1 True False False False True 709 -3.365 -3.929 13.224 1 ATOM C CG1 . VAL A 1 104 . 104 VAL A CG1 710 14.4 0.64 ? -1 -1 True False False False True 710 -3.691 -2.476 13.486 1 ATOM C CG2 . VAL A 1 104 . 104 VAL A CG2 711 15.71 1.0 ? -1 -1 True False False False True 711 -3.345 -4.157 11.704 1 ATOM N N . LYS A 1 105 . 105 LYS A N 712 9.74 0.85 ? -1 -1 True False False False True 712 -1.079 -2.828 15.412 1 ATOM C CA . LYS A 1 105 . 105 LYS A CA 713 9.85 0.85 ? -1 -1 True False False False True 713 -0.775 -2.213 16.684 1 ATOM C C . LYS A 1 105 . 105 LYS A C 714 9.4 0.9 ? -1 -1 True False False False True 714 -1.404 -0.832 16.783 1 ATOM O O . LYS A 1 105 . 105 LYS A O 715 10.17 0.98 ? -1 -1 True False False False True 715 -1.783 -0.237 15.789 1 ATOM C CB . LYS A 1 105 . 105 LYS A CB 716 10.97 0.76 ? -1 -1 True False False False True 716 0.74 -2.089 16.853 1 ATOM C CG . LYS A 1 105 . 105 LYS A CG 717 12.17 0.69 ? -1 -1 True False False False True 717 1.419 -3.477 16.911 1 ATOM C CD . LYS A 1 105 . 105 LYS A CD 718 13.68 0.51 ? -1 -1 True False False False True 718 1.051 -4.25 18.16 1 ATOM C CE . LYS A 1 105 . 105 LYS A CE 719 15.49 0.43 ? -1 -1 True False False False True 719 1.772 -5.563 18.332 1 ATOM N NZ . LYS A 1 105 . 105 LYS A NZ 720 16.6 0.46 +1 -1 -1 True False False False True 720 1.343 -6.264 19.557 1 ATOM N N . LEU A 1 106 . 106 LEU A N 721 10.14 1.0 ? -1 -1 True False False False True 721 -1.475 -0.297 18.013 1 ATOM C CA . LEU A 1 106 . 106 LEU A CA 722 10.0 0.98 ? -1 -1 True False False False True 722 -2.032 1.06 18.163 1 ATOM C C . LEU A 1 106 . 106 LEU A C 723 10.85 0.97 ? -1 -1 True False False False True 723 -1.265 2.078 17.317 1 ATOM O O . LEU A 1 106 . 106 LEU A O 724 11.49 0.88 ? -1 -1 True False False False True 724 -1.856 2.986 16.755 1 ATOM C CB . LEU A 1 106 . 106 LEU A CB 725 9.54 0.94 ? -1 -1 True False False False True 725 -2.01 1.486 19.623 1 ATOM C CG . LEU A 1 106 . 106 LEU A CG 726 10.25 0.96 ? -1 -1 True False False False True 726 -2.831 0.634 20.602 1 ATOM C CD1 . LEU A 1 106 . 106 LEU A CD1 727 11.39 1.0 ? -1 -1 True False False False True 727 -2.66 1.168 21.976 1 ATOM C CD2 . LEU A 1 106 . 106 LEU A CD2 728 11.13 0.82 ? -1 -1 True False False False True 728 -4.297 0.56 20.195 1 ATOM N N . GLN A 1 107 . 107 GLN A N 729 11.37 0.89 ? -1 -1 True False False False True 729 0.04 1.929 17.232 1 ATOM C CA . GLN A 1 107 . 107 GLN A CA 730 12.02 0.8 ? -1 -1 True False False False True 730 0.884 2.867 16.473 1 ATOM C C . GLN A 1 107 . 107 GLN A C 731 12.12 0.84 ? -1 -1 True False False False True 731 0.759 2.712 14.97 1 ATOM O O . GLN A 1 107 . 107 GLN A O 732 14.65 0.92 ? -1 -1 True False False False True 732 1.35 3.507 14.223 1 ATOM C CB . GLN A 1 107 . 107 GLN A CB 733 13.58 0.74 ? -1 -1 True False False False True 733 2.359 2.776 16.915 1 ATOM C CG . GLN A 1 107 . 107 GLN A CG 734 13.28 0.73 ? -1 -1 True False False False True 734 2.942 1.448 16.692 1 ATOM C CD . GLN A 1 107 . 107 GLN A CD 735 13.49 0.73 ? -1 -1 True False False False True 735 2.853 0.467 17.871 1 ATOM O OE1 . GLN A 1 107 . 107 GLN A OE1 736 13.42 0.9 ? -1 -1 True False False False True 736 2.025 0.623 18.762 1 ATOM N NE2 . GLN A 1 107 . 107 GLN A NE2 737 14.29 0.68 ? -1 -1 True False False False True 737 3.691 -0.593 17.853 1 ATOM N N . ASP A 1 108 . 108 ASP A N 738 11.73 0.94 ? -1 -1 True False False False True 738 -0.028 1.754 14.474 1 ATOM C CA . ASP A 1 108 . 108 ASP A CA 739 11.21 0.96 ? -1 -1 True False False False True 739 -0.393 1.681 13.074 1 ATOM C C . ASP A 1 108 . 108 ASP A C 740 9.81 0.92 ? -1 -1 True False False False True 740 -1.525 2.615 12.731 1 ATOM O O . ASP A 1 108 . 108 ASP A O 741 10.16 0.91 ? -1 -1 True False False False True 741 -1.845 2.757 11.542 1 ATOM C CB . ASP A 1 108 . 108 ASP A CB 742 12.01 1.0 ? -1 -1 True False False False True 742 -0.681 0.236 12.667 1 ATOM C CG . ASP A 1 108 . 108 ASP A CG 743 12.52 0.91 ? -1 -1 True False False False True 743 0.541 -0.698 12.714 1 ATOM O OD1 . ASP A 1 108 . 108 ASP A OD1 744 13.73 0.76 ? -1 -1 True False False False True 744 1.626 -0.271 12.284 1 ATOM O OD2 . ASP A 1 108 . 108 ASP A OD2 745 13.52 0.95 ? -1 -1 True False False False True 745 0.402 -1.83 13.195 1 ATOM N N . ALA A 1 109 . 109 ALA A N 746 9.5 0.92 ? -1 -1 True False False False True 746 -2.159 3.266 13.688 1 ATOM C CA . ALA A 1 109 . 109 ALA A CA 747 9.51 0.92 ? -1 -1 True False False False True 747 -3.145 4.291 13.397 1 ATOM C C . ALA A 1 109 . 109 ALA A C 748 9.64 0.92 ? -1 -1 True False False False True 748 -2.442 5.508 12.799 1 ATOM O O . ALA A 1 109 . 109 ALA A O 749 10.91 0.92 ? -1 -1 True False False False True 749 -1.346 5.883 13.241 1 ATOM C CB . ALA A 1 109 . 109 ALA A CB 750 9.91 0.92 ? -1 -1 True False False False True 750 -3.908 4.661 14.638 1 ATOM N N . GLY A 1 110 . 110 GLY A N 751 9.64 1.0 ? -1 -1 True False False False True 751 -3.072 6.103 11.817 1 ATOM C CA . GLY A 1 110 . 110 GLY A CA 752 9.74 0.9 ? -1 -1 True False False False True 752 -2.539 7.323 11.22 1 ATOM C C . GLY A 1 110 . 110 GLY A C 753 8.7 0.99 ? -1 -1 True False False False True 753 -2.899 7.409 9.762 1 ATOM O O . GLY A 1 110 . 110 GLY A O 754 9.07 0.98 ? -1 -1 True False False False True 754 -3.78 6.709 9.269 1 ATOM N N . VAL A 1 111 . 111 VAL A N 755 8.98 0.99 ? -1 -1 True False False False True 755 -2.201 8.289 9.073 1 ATOM C CA . VAL A 1 111 . 111 VAL A CA 756 9.55 1.0 ? -1 -1 True False False False True 756 -2.472 8.594 7.665 1 ATOM C C . VAL A 1 111 . 111 VAL A C 757 8.73 0.91 ? -1 -1 True False False False True 757 -1.432 7.881 6.804 1 ATOM O O . VAL A 1 111 . 111 VAL A O 758 10.7 0.94 ? -1 -1 True False False False True 758 -0.214 8.056 6.971 1 ATOM C CB . VAL A 1 111 . 111 VAL A CB 759 11.78 1.0 ? -1 -1 True False False False True 759 -2.45 10.11 7.398 1 ATOM C CG1 . VAL A 1 111 . 111 VAL A CG1 760 13.48 0.82 ? -1 -1 True False False False True 760 -2.696 10.37 5.947 1 ATOM C CG2 . VAL A 1 111 . 111 VAL A CG2 761 12.28 0.87 ? -1 -1 True False False False True 761 -3.497 10.806 8.253 1 ATOM N N . TYR A 1 112 . 112 TYR A N 762 8.58 1.0 ? -1 -1 True False False False True 762 -1.918 7.106 5.878 1 ATOM C CA . TYR A 1 112 . 112 TYR A CA 763 8.5 1.0 ? -1 -1 True False False False True 763 -1.127 6.357 4.906 1 ATOM C C . TYR A 1 112 . 112 TYR A C 764 8.79 1.0 ? -1 -1 True False False False True 764 -1.275 7.029 3.557 1 ATOM O O . TYR A 1 112 . 112 TYR A O 765 11.41 0.98 ? -1 -1 True False False False True 765 -2.343 7.517 3.194 1 ATOM C CB . TYR A 1 112 . 112 TYR A CB 766 8.03 0.91 ? -1 -1 True False False False True 766 -1.695 4.919 4.801 1 ATOM C CG . TYR A 1 112 . 112 TYR A CG 767 7.79 0.96 ? -1 -1 True False False False True 767 -1.46 4.071 6.037 1 ATOM C CD1 . TYR A 1 112 . 112 TYR A CD1 768 8.14 0.93 ? -1 -1 True False False False True 768 -2.102 4.337 7.225 1 ATOM C CD2 . TYR A 1 112 . 112 TYR A CD2 769 7.86 0.89 ? -1 -1 True False False False True 769 -0.578 3.023 6.014 1 ATOM C CE1 . TYR A 1 112 . 112 TYR A CE1 770 7.98 0.88 ? -1 -1 True False False False True 770 -1.823 3.592 8.349 1 ATOM C CE2 . TYR A 1 112 . 112 TYR A CE2 771 7.91 0.83 ? -1 -1 True False False False True 771 -0.327 2.253 7.122 1 ATOM C CZ . TYR A 1 112 . 112 TYR A CZ 772 8.03 0.88 ? -1 -1 True False False False True 772 -0.951 2.54 8.309 1 ATOM O OH . TYR A 1 112 . 112 TYR A OH 773 10.52 1.0 ? -1 -1 True False False False True 773 -0.659 1.771 9.41 1 ATOM N N . ARG A 1 113 . 113 ARG A N 774 7.14 0.57 ? -1 -1 True False False False True 774 -0.207 7.044 2.803 1 ATOM C CA . ARG A 1 113 . 113 ARG A CA 775 6.98 0.57 ? -1 -1 True False False False True 775 -0.256 7.479 1.419 1 ATOM C C . ARG A 1 113 . 113 ARG A C 776 6.36 0.57 ? -1 -1 True False False False True 776 0.149 6.324 0.515 1 ATOM O O . ARG A 1 113 . 113 ARG A O 777 7.72 0.57 ? -1 -1 True False False False True 777 1.161 5.663 0.738 1 ATOM C CB . ARG A 1 113 . 113 ARG A CB 778 9.75 0.57 ? -1 -1 True False False False True 778 0.735 8.628 1.192 1 ATOM C CG . ARG A 1 113 . 113 ARG A CG 779 13.55 0.57 ? -1 -1 True False False False True 779 0.269 9.912 1.688 1 ATOM C CD . ARG A 1 113 . 113 ARG A CD 780 18.79 0.57 ? -1 -1 True False False False True 780 1.403 10.972 1.795 1 ATOM N NE . ARG A 1 113 . 113 ARG A NE 781 22.65 0.57 ? -1 -1 True False False False True 781 2.525 10.659 2.766 1 ATOM C CZ . ARG A 1 113 . 113 ARG A CZ 782 24.63 0.57 ? -1 -1 True False False False True 782 2.455 10.209 4.045 1 ATOM N NH1 . ARG A 1 113 . 113 ARG A NH1 783 25.16 0.57 ? -1 -1 True False False False True 783 1.281 9.842 4.659 1 ATOM N NH2 . ARG A 1 113 . 113 ARG A NH2 784 20.88 0.57 +1 -1 -1 True False False False True 784 3.622 10.067 4.723 1 ATOM N N . CYS A 1 114 . 114 CYS A N 785 5.66 1.0 ? -1 -1 True False False False True 785 -0.648 6.111 -0.528 1 ATOM C CA . CYS A 1 114 . 114 CYS A CA 786 5.56 1.0 ? -1 -1 True False False False True 786 -0.289 5.228 -1.609 1 ATOM C C . CYS A 1 114 . 114 CYS A C 787 5.9 1.0 ? -1 -1 True False False False True 787 0.095 6.11 -2.808 1 ATOM O O . CYS A 1 114 . 114 CYS A O 788 7.94 1.0 ? -1 -1 True False False False True 788 -0.672 6.981 -3.194 1 ATOM C CB . CYS A 1 114 . 114 CYS A CB 789 5.49 1.0 ? -1 -1 True False False False True 789 -1.437 4.295 -2.015 1 ATOM S SG . CYS A 1 114 . 114 CYS A SG 790 6.26 1.0 ? -1 -1 True False False False True 790 -2.889 5.18 -2.665 1 ATOM N N . MET A 1 115 . 115 MET A N 791 5.51 0.57 ? -1 -1 True False False False True 791 1.285 5.88 -3.357 1 ATOM C CA . MET A 1 115 . 115 MET A CA 792 6.36 0.57 ? -1 -1 True False False False True 792 1.807 6.64 -4.513 1 ATOM C C . MET A 1 115 . 115 MET A C 793 6.62 0.57 ? -1 -1 True False False False True 793 2.003 5.639 -5.631 1 ATOM O O . MET A 1 115 . 115 MET A O 794 7.38 0.57 ? -1 -1 True False False False True 794 2.645 4.613 -5.428 1 ATOM C CB . MET A 1 115 . 115 MET A CB 795 6.79 0.57 ? -1 -1 True False False False True 795 3.113 7.335 -4.097 1 ATOM C CG . MET A 1 115 . 115 MET A CG 796 7.6 0.57 ? -1 -1 True False False True True 796 2.842 8.54 -3.124 1 ATOM S SD . MET A 1 115 . 115 MET A SD 797 7.1 0.57 ? -1 -1 True False False True True 797 4.26 8.943 -2.113 1 ATOM C CE . MET A 1 115 . 115 MET A CE 798 7.91 0.57 ? -1 -1 True False False False True 798 4.091 7.72 -0.756 1 ATOM N N . ILE A 1 116 . 116 ILE A N 799 6.47 0.94 ? -1 -1 True False False False True 799 1.453 5.896 -6.802 1 ATOM C CA . ILE A 1 116 . 116 ILE A CA 800 6.43 0.9 ? -1 -1 True False False False True 800 1.524 4.975 -7.928 1 ATOM C C . ILE A 1 116 . 116 ILE A C 801 6.81 0.89 ? -1 -1 True False False False True 801 1.946 5.73 -9.168 1 ATOM O O . ILE A 1 116 . 116 ILE A O 802 7.91 0.96 ? -1 -1 True False False False True 802 1.365 6.769 -9.511 1 ATOM C CB . ILE A 1 116 . 116 ILE A CB 803 7.94 1.0 ? -1 -1 True False False False True 803 0.172 4.248 -8.16 1 ATOM C CG1 . ILE A 1 116 . 116 ILE A CG1 804 7.62 0.85 ? -1 -1 True False False False True 804 -0.256 3.517 -6.846 1 ATOM C CG2 . ILE A 1 116 . 116 ILE A CG2 805 9.05 1.0 ? -1 -1 True False False False True 805 0.275 3.296 -9.338 1 ATOM C CD1 . ILE A 1 116 . 116 ILE A CD1 806 7.59 0.74 ? -1 -1 True False False False True 806 -1.583 2.825 -6.895 1 ATOM N N . SER A 1 117 . 117 SER A N 807 6.16 0.87 ? -1 -1 True False False False True 807 2.951 5.197 -9.855 1 ATOM C CA . SER A 1 117 . 117 SER A CA 808 7.58 1.0 ? -1 -1 True False False False True 808 3.329 5.632 -11.189 1 ATOM C C . SER A 1 117 . 117 SER A C 809 7.53 1.0 ? -1 -1 True False False False True 809 3.075 4.461 -12.137 1 ATOM O O . SER A 1 117 . 117 SER A O 810 7.84 0.99 ? -1 -1 True False False False True 810 3.571 3.339 -11.917 1 ATOM C CB . SER A 1 117 . 117 SER A CB 811 8.39 1.0 ? -1 -1 True False False False True 811 4.801 6.034 -11.239 1 ATOM O OG . SER A 1 117 . 117 SER A OG 812 8.77 1.0 ? -1 -1 True False False False True 812 5.239 6.283 -12.559 1 ATOM N N . TYR A 1 118 . 118 TYR A N 813 7.91 1.0 ? -1 -1 True False False False True 813 2.309 4.714 -13.182 1 ATOM C CA . TYR A 1 118 . 118 TYR A CA 814 8.5 1.0 ? -1 -1 True False False False True 814 2.013 3.711 -14.193 1 ATOM C C . TYR A 1 118 . 118 TYR A C 815 8.97 1.0 ? -1 -1 True False False False True 815 1.697 4.496 -15.454 1 ATOM O O . TYR A 1 118 . 118 TYR A O 816 10.54 1.0 ? -1 -1 True False False False True 816 0.543 4.675 -15.847 1 ATOM C CB . TYR A 1 118 . 118 TYR A CB 817 8.65 1.0 ? -1 -1 True False False False True 817 0.841 2.82 -13.765 1 ATOM C CG . TYR A 1 118 . 118 TYR A CG 818 8.59 1.0 ? -1 -1 True False False False True 818 0.57 1.668 -14.676 1 ATOM C CD1 . TYR A 1 118 . 118 TYR A CD1 819 8.68 0.9 ? -1 -1 True False False False True 819 1.524 0.684 -14.876 1 ATOM C CD2 . TYR A 1 118 . 118 TYR A CD2 820 8.71 0.83 ? -1 -1 True False False False True 820 -0.633 1.546 -15.374 1 ATOM C CE1 . TYR A 1 118 . 118 TYR A CE1 821 9.63 0.95 ? -1 -1 True False False False True 821 1.327 -0.375 -15.715 1 ATOM C CE2 . TYR A 1 118 . 118 TYR A CE2 822 10.02 0.88 ? -1 -1 True False False False True 822 -0.863 0.49 -16.215 1 ATOM C CZ . TYR A 1 118 . 118 TYR A CZ 823 10.8 1.0 ? -1 -1 True False False False True 823 0.107 -0.479 -16.377 1 ATOM O OH . TYR A 1 118 . 118 TYR A OH 824 12.34 0.9 ? -1 -1 True False False False True 824 -0.069 -1.561 -17.237 1 ATOM N N . GLY A 1 119 . 119 GLY A N 825 9.63 0.98 ? -1 -1 True False False False True 825 2.756 5.035 -16.071 1 ATOM C CA . GLY A 1 119 . 119 GLY A CA 826 10.94 0.98 ? -1 -1 True False False False True 826 2.593 6.063 -17.109 1 ATOM C C . GLY A 1 119 . 119 GLY A C 827 10.96 1.0 ? -1 -1 True False False False True 827 2.386 7.396 -16.482 1 ATOM O O . GLY A 1 119 . 119 GLY A O 828 11.64 0.91 ? -1 -1 True False False False True 828 3.332 8.162 -16.277 1 ATOM N N . GLY A 1 120 . 120 GLY A N 829 11.29 1.0 ? -1 -1 True False False False True 829 1.148 7.688 -16.09 1 ATOM C CA . GLY A 1 120 . 120 GLY A CA 830 10.73 0.87 ? -1 -1 True False False False True 830 0.88 8.815 -15.234 1 ATOM C C . GLY A 1 120 . 120 GLY A C 831 10.2 1.0 ? -1 -1 True False False False True 831 1.176 8.499 -13.782 1 ATOM O O . GLY A 1 120 . 120 GLY A O 832 10.23 1.0 ? -1 -1 True False False False True 832 1.593 7.388 -13.454 1 ATOM N N . ALA A 1 121 . 121 ALA A N 833 10.38 0.97 ? -1 -1 True False False False True 833 0.993 9.46 -12.902 1 ATOM C CA . ALA A 1 121 . 121 ALA A CA 834 10.38 1.0 ? -1 -1 True False False False True 834 1.265 9.265 -11.494 1 ATOM C C . ALA A 1 121 . 121 ALA A C 835 10.11 1.0 ? -1 -1 True False False False True 835 0.218 9.979 -10.654 1 ATOM O O . ALA A 1 121 . 121 ALA A O 836 11.47 1.0 ? -1 -1 True False False False True 836 -0.22 11.079 -11.026 1 ATOM C CB . ALA A 1 121 . 121 ALA A CB 837 11.11 0.87 ? -1 -1 True False False False True 837 2.644 9.702 -11.086 1 ATOM N N . ASP A 1 122 . 122 ASP A N 838 9.3 0.95 ? -1 -1 True False False False True 838 -0.13 9.414 -9.518 1 ATOM C CA . ASP A 1 122 . 122 ASP A CA 839 9.83 0.97 ? -1 -1 True False False False True 839 -1.062 10.044 -8.594 1 ATOM C C . ASP A 1 122 . 122 ASP A C 840 9.45 1.0 ? -1 -1 True False False False True 840 -0.887 9.387 -7.24 1 ATOM O O . ASP A 1 122 . 122 ASP A O 841 9.17 0.97 ? -1 -1 True False False False True 841 -0.164 8.382 -7.097 1 ATOM C CB . ASP A 1 122 . 122 ASP A CB 842 11.51 1.0 ? -1 -1 True False False False True 842 -2.513 9.911 -9.09 1 ATOM C CG . ASP A 1 122 . 122 ASP A CG 843 12.78 0.92 ? -1 -1 True False False False True 843 -3.516 10.746 -8.41 1 ATOM O OD1 . ASP A 1 122 . 122 ASP A OD1 844 14.51 0.97 ? -1 -1 True False False False True 844 -3.168 11.787 -7.791 1 ATOM O OD2 . ASP A 1 122 . 122 ASP A OD2 845 14.25 0.88 ? -1 -1 True False False False True 845 -4.724 10.382 -8.49 1 ATOM N N . TYR A 1 123 . 123 TYR A N 846 9.74 1.0 ? -1 -1 True False False False True 846 -1.532 9.945 -6.211 1 ATOM C CA . TYR A 1 123 . 123 TYR A CA 847 9.42 1.0 ? -1 -1 True False False False True 847 -1.486 9.391 -4.874 1 ATOM C C . TYR A 1 123 . 123 TYR A C 848 10.04 1.0 ? -1 -1 True False False False True 848 -2.799 9.674 -4.169 1 ATOM O O . TYR A 1 123 . 123 TYR A O 849 11.33 0.99 ? -1 -1 True False False False True 849 -3.53 10.6 -4.542 1 ATOM C CB . TYR A 1 123 . 123 TYR A CB 850 10.96 1.0 ? -1 -1 True False False False True 850 -0.322 9.938 -4.094 1 ATOM C CG . TYR A 1 123 . 123 TYR A CG 851 13.12 1.0 ? -1 -1 True False False False True 851 -0.455 11.361 -3.607 1 ATOM C CD1 . TYR A 1 123 . 123 TYR A CD1 852 13.29 0.97 ? -1 -1 True False False False True 852 -0.114 12.417 -4.411 1 ATOM C CD2 . TYR A 1 123 . 123 TYR A CD2 853 17.99 0.95 ? -1 -1 True False False True True 853 -0.948 11.633 -2.335 1 ATOM C CE1 . TYR A 1 123 . 123 TYR A CE1 854 15.34 0.93 ? -1 -1 True False False False True 854 -0.227 13.729 -3.993 1 ATOM C CE2 . TYR A 1 123 . 123 TYR A CE2 855 19.95 0.87 ? -1 -1 True False False False True 855 -1.026 12.95 -1.912 1 ATOM C CZ . TYR A 1 123 . 123 TYR A CZ 856 19.14 0.9 ? -1 -1 True False False False True 856 -0.641 13.976 -2.742 1 ATOM O OH . TYR A 1 123 . 123 TYR A OH 857 21.01 0.63 ? -1 -1 True False False True True 857 -0.708 15.305 -2.307 1 ATOM N N . LYS A 1 124 . 124 LYS A N 858 9.64 1.0 ? -1 -1 True False False False True 858 -3.07 8.906 -3.126 1 ATOM C CA . LYS A 1 124 . 124 LYS A CA 859 10.15 1.0 ? -1 -1 True False False False True 859 -4.201 9.131 -2.237 1 ATOM C C . LYS A 1 124 . 124 LYS A C 860 9.22 1.0 ? -1 -1 True False False False True 860 -3.79 8.909 -0.807 1 ATOM O O . LYS A 1 124 . 124 LYS A O 861 9.82 0.97 ? -1 -1 True False False False True 861 -2.818 8.234 -0.521 1 ATOM C CB . LYS A 1 124 . 124 LYS A CB 862 10.2 0.88 ? -1 -1 True False False False True 862 -5.406 8.231 -2.622 1 ATOM C CG . LYS A 1 124 . 124 LYS A CG 863 12.6 0.9 ? -1 -1 True False False False True 863 -6.12 8.579 -3.919 1 ATOM C CD . LYS A 1 124 . 124 LYS A CD 864 14.52 0.69 ? -1 -1 True False False False True 864 -6.81 9.988 -3.857 1 ATOM C CE . LYS A 1 124 . 124 LYS A CE 865 15.54 0.44 ? -1 -1 True False False False True 865 -7.813 10.298 -5.0 1 ATOM N NZ . LYS A 1 124 . 124 LYS A NZ 866 17.19 0.41 +1 -1 -1 True False False False True 866 -7.183 10.494 -6.263 1 ATOM N N . ARG A 1 125 . 125 ARG A N 867 9.49 0.91 ? -1 -1 True False False False True 867 -4.574 9.476 0.089 1 ATOM C CA . ARG A 1 125 . 125 ARG A CA 868 10.15 1.0 ? -1 -1 True False False False True 868 -4.435 9.308 1.528 1 ATOM C C . ARG A 1 125 . 125 ARG A C 869 9.68 1.0 ? -1 -1 True False False False True 869 -5.564 8.462 2.092 1 ATOM O O . ARG A 1 125 . 125 ARG A O 870 11.52 0.93 ? -1 -1 True False False False True 870 -6.73 8.585 1.721 1 ATOM C CB . ARG A 1 125 . 125 ARG A CB 871 12.2 1.0 ? -1 -1 True False False False True 871 -4.243 10.54 2.401 1 ATOM C CG . ARG A 1 125 . 125 ARG A CG 872 16.33 1.0 ? -1 -1 True False False False True 872 -4.468 11.866 1.693 1 ATOM C CD . ARG A 1 125 . 125 ARG A CD 873 19.99 1.0 ? -1 -1 True False False False True 873 -4.3 13.017 2.617 1 ATOM N NE . ARG A 1 125 . 125 ARG A NE 874 20.42 0.3 ? -1 -1 True False False False True 874 -2.925 13.155 3.068 1 ATOM C CZ . ARG A 1 125 . 125 ARG A CZ 875 0.0 0.0 ? -1 -1 True False False False True 875 -2.527 13.949 4.081 1 ATOM N NH1 . ARG A 1 125 . 125 ARG A NH1 876 0.0 0.0 ? -1 -1 True False False False True 876 -3.411 14.667 4.738 1 ATOM N NH2 . ARG A 1 125 . 125 ARG A NH2 877 0.0 0.0 +1 -1 -1 True False False False True 877 -1.25 14.005 4.415 1 ATOM N N . ILE A 1 126 . 126 ILE A N 878 8.71 1.0 ? -1 -1 True False False False True 878 -5.192 7.606 3.037 1 ATOM C CA . ILE A 1 126 . 126 ILE A CA 879 8.57 1.0 ? -1 -1 True False False False True 879 -6.128 6.741 3.759 1 ATOM C C . ILE A 1 126 . 126 ILE A C 880 8.65 1.0 ? -1 -1 True False False False True 880 -5.819 6.857 5.23 1 ATOM O O . ILE A 1 126 . 126 ILE A O 881 9.78 1.0 ? -1 -1 True False False False True 881 -4.666 6.741 5.652 1 ATOM C CB . ILE A 1 126 . 126 ILE A CB 882 8.84 1.0 ? -1 -1 True False False False True 882 -5.971 5.251 3.312 1 ATOM C CG1 . ILE A 1 126 . 126 ILE A CG1 883 9.39 0.9 ? -1 -1 True False False False True 883 -6.351 5.109 1.848 1 ATOM C CG2 . ILE A 1 126 . 126 ILE A CG2 884 10.05 0.96 ? -1 -1 True False False False True 884 -6.787 4.327 4.204 1 ATOM C CD1 . ILE A 1 126 . 126 ILE A CD1 885 9.67 0.75 ? -1 -1 True False False False True 885 -5.978 3.735 1.276 1 ATOM N N . THR A 1 127 . 127 THR A N 886 8.2 1.0 ? -1 -1 True False False False True 886 -6.848 7.039 6.063 1 ATOM C CA . THR A 1 127 . 127 THR A CA 887 8.26 0.93 ? -1 -1 True False False False True 887 -6.692 7.05 7.504 1 ATOM C C . THR A 1 127 . 127 THR A C 888 7.89 1.0 ? -1 -1 True False False False True 888 -7.041 5.687 8.09 1 ATOM O O . THR A 1 127 . 127 THR A O 889 8.79 1.0 ? -1 -1 True False False False True 889 -8.039 5.091 7.672 1 ATOM C CB . THR A 1 127 . 127 THR A CB 890 9.76 0.99 ? -1 -1 True False False False True 890 -7.582 8.145 8.122 1 ATOM O OG1 . THR A 1 127 . 127 THR A OG1 891 12.06 0.93 ? -1 -1 True False False False True 891 -7.202 9.403 7.613 1 ATOM C CG2 . THR A 1 127 . 127 THR A CG2 892 10.65 0.79 ? -1 -1 True False False False True 892 -7.517 8.133 9.643 1 ATOM N N . VAL A 1 128 . 128 VAL A N 893 8.28 0.99 ? -1 -1 True False False False True 893 -6.24 5.244 9.04 1 ATOM C CA . VAL A 1 128 . 128 VAL A CA 894 8.29 1.0 ? -1 -1 True False False False True 894 -6.505 4.035 9.813 1 ATOM C C . VAL A 1 128 . 128 VAL A C 895 8.11 1.0 ? -1 -1 True False False False True 895 -6.709 4.411 11.248 1 ATOM O O . VAL A 1 128 . 128 VAL A O 896 9.22 0.99 ? -1 -1 True False False False True 896 -5.909 5.157 11.811 1 ATOM C CB . VAL A 1 128 . 128 VAL A CB 897 9.01 1.0 ? -1 -1 True False False False True 897 -5.365 3.007 9.676 1 ATOM C CG1 . VAL A 1 128 . 128 VAL A CG1 898 10.04 1.0 ? -1 -1 True False False False True 898 -5.541 1.808 10.604 1 ATOM C CG2 . VAL A 1 128 . 128 VAL A CG2 899 8.9 0.91 ? -1 -1 True False False False True 899 -5.215 2.568 8.224 1 ATOM N N . LYS A 1 129 . 129 LYS A N 900 8.45 1.0 ? -1 -1 True False False False True 900 -7.781 3.911 11.856 1 ATOM C CA . LYS A 1 129 . 129 LYS A CA 901 8.9 1.0 ? -1 -1 True False False False True 901 -8.057 4.012 13.285 1 ATOM C C . LYS A 1 129 . 129 LYS A C 902 8.92 1.0 ? -1 -1 True False False False True 902 -8.035 2.592 13.85 1 ATOM O O . LYS A 1 129 . 129 LYS A O 903 9.99 1.0 ? -1 -1 True False False False True 903 -8.583 1.681 13.214 1 ATOM C CB . LYS A 1 129 . 129 LYS A CB 904 11.54 1.0 ? -1 -1 True False False False True 904 -9.258 4.78 13.839 1 ATOM C CG . LYS A 1 129 . 129 LYS A CG 905 18.08 1.0 ? -1 -1 True False False False True 905 -8.898 6.061 14.579 1 ATOM C CD . LYS A 1 129 . 129 LYS A CD 906 0.0 0.0 ? -1 -1 True False False False True 906 -10.128 6.701 15.206 1 ATOM C CE . LYS A 1 129 . 129 LYS A CE 907 0.0 0.0 ? -1 -1 True False False False True 907 -11.051 7.283 14.146 1 ATOM N NZ . LYS A 1 129 . 129 LYS A NZ 908 0.0 0.0 +1 -1 -1 True False False False True 908 -12.188 8.031 14.748 1 ATOM N N . VAL A 1 130 . 130 VAL A N 909 9.03 1.0 ? -1 -1 True False False False True 909 -7.417 2.419 15.015 1 ATOM C CA . VAL A 1 130 . 130 VAL A CA 910 9.43 0.95 ? -1 -1 True False False False True 910 -7.259 1.114 15.627 1 ATOM C C . VAL A 1 130 . 130 VAL A C 911 10.7 1.0 ? -1 -1 True False False False True 911 -8.049 1.094 16.941 1 ATOM O O . VAL A 1 130 . 130 VAL A O 912 13.14 0.97 ? -1 -1 True False False False True 912 -7.792 1.898 17.839 1 ATOM C CB . VAL A 1 130 . 130 VAL A CB 913 9.75 0.92 ? -1 -1 True False False False True 913 -5.778 0.769 15.878 1 ATOM C CG1 . VAL A 1 130 . 130 VAL A CG1 914 10.44 0.84 ? -1 -1 True False False False True 914 -5.665 -0.585 16.538 1 ATOM C CG2 . VAL A 1 130 . 130 VAL A CG2 915 8.99 0.8 ? -1 -1 True False False False True 915 -5.0 0.829 14.597 1 ATOM N N . ASN A 1 131 . 131 ASN A N 916 9.51 0.61 ? -1 -1 True False False False True 916 -9.0 0.157 17.031 1 ATOM C CA . ASN A 1 131 . 131 ASN A CA 917 10.19 0.61 ? -1 -1 True False False False True 917 -9.735 -0.104 18.271 1 ATOM C C . ASN A 1 131 . 131 ASN A C 918 9.8 0.61 ? -1 -1 True False False False True 918 -8.935 -1.021 19.176 1 ATOM O O . ASN A 1 131 . 131 ASN A O 919 11.46 0.61 ? -1 -1 True False False False True 919 -8.497 -2.103 18.765 1 ATOM C CB . ASN A 1 131 . 131 ASN A CB 920 10.7 0.61 ? -1 -1 True False False False True 920 -11.054 -0.823 17.946 1 ATOM C CG . ASN A 1 131 . 131 ASN A CG 921 11.61 0.61 ? -1 -1 True False False False True 921 -12.11 0.017 17.27 1 ATOM O OD1 . ASN A 1 131 . 131 ASN A OD1 922 14.03 0.61 ? -1 -1 True False False False True 922 -12.185 1.216 17.48 1 ATOM N ND2 . ASN A 1 131 . 131 ASN A ND2 923 12.52 0.61 ? -1 -1 True False False False True 923 -12.983 -0.611 16.484 1 HETATM X UNK . 50-120 B 2 1 . 1 50-120 B UNK 924 nan 0.0 ? 120 50 False True True False False 924 nan nan nan 1 # _cell.length_a 31.814 _cell.length_b 53.682 _cell.length_c 80.926 _cell.angle_alpha 90.0 _cell.angle_beta 90.0 _cell.angle_gamma 90.0 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal ALA N N 0 N N -0.9660000205039978 0.49300000071525574 1.5 ALA CA C 0 N N 0.25699999928474426 0.4180000126361847 0.6919999718666077 ALA C C 0 N N -0.09399999678134918 0.017000000923871994 -0.7160000205039978 ALA O O 0 N N -1.055999994277954 -0.6819999814033508 -0.9229999780654907 ALA CB C 0 N N 1.2039999961853027 -0.6200000047683716 1.2960000038146973 ALA OXT O 0 N Y 0.6610000133514404 0.4390000104904175 -1.7419999837875366 ALA H H 0 N N -1.3830000162124634 -0.42500001192092896 1.4819999933242798 ALA H2 H 0 N Y -0.6759999990463257 0.6610000133514404 2.4519999027252197 ALA HA H 0 N N 0.7459999918937683 1.3919999599456787 0.6819999814033508 ALA HB1 H 0 N N 1.4589999914169312 -0.33000001311302185 2.315999984741211 ALA HB2 H 0 N N 0.7149999737739563 -1.593999981880188 1.3070000410079956 ALA HB3 H 0 N N 2.11299991607666 -0.6759999990463257 0.6970000267028809 ALA HXT H 0 N Y 0.4350000023841858 0.18199999630451202 -2.6470000743865967 ARG N N 0 N N -0.4690000116825104 1.1100000143051147 -0.9929999709129333 ARG CA C 0 N N 0.004000000189989805 2.2939999103546143 -1.7079999446868896 ARG C C 0 N N -0.9070000052452087 2.5209999084472656 -2.9010000228881836 ARG O O 0 N N -1.8270000219345093 1.7890000343322754 -3.242000102996826 ARG CB C 0 N N 1.475000023841858 2.1500000953674316 -2.127000093460083 ARG CG C 0 N N 1.7450000047683716 1.0169999599456787 -3.130000114440918 ARG CD C 0 N N 3.2100000381469727 0.9539999961853027 -3.556999921798706 ARG NE N 0 N N 4.071000099182129 0.7260000109672546 -2.4210000038146973 ARG CZ C 0 N N 5.468999862670898 0.6240000128746033 -2.5280001163482666 ARG NH1 N 0 N N 6.258999824523926 0.40400001406669617 -1.4049999713897705 ARG NH2 N 1 N N 6.078000068664551 0.7440000176429749 -3.7730000019073486 ARG OXT O 0 N Y -0.5879999995231628 3.6589999198913574 -3.5739998817443848 ARG H H 0 N N -0.057999998331069946 0.902999997138977 -0.10899999737739563 ARG H2 H 0 N Y -1.0240000486373901 0.4519999921321869 -1.49399995803833 ARG HA H 0 N N -0.10300000011920929 3.1519999504089355 -1.034000039100647 ARG HB2 H 0 N N 2.0859999656677246 1.9880000352859497 -1.2300000190734863 ARG HB3 H 0 N N 1.8140000104904175 3.0989999771118164 -2.562999963760376 ARG HG2 H 0 N N 1.1360000371932983 1.1699999570846558 -4.0289998054504395 ARG HG3 H 0 N N 1.4470000267028809 0.05400000140070915 -2.697999954223633 ARG HD2 H 0 N N 3.3480000495910645 0.13300000131130219 -4.269000053405762 ARG HD3 H 0 N N 3.505000114440918 1.8799999952316284 -4.061999797821045 ARG HE H 0 N N 3.6740000247955322 0.6269999742507935 -1.4789999723434448 ARG HH11 H 0 N N 7.270999908447266 0.3310000002384186 -1.4839999675750732 ARG HH12 H 0 N N 5.857999801635742 0.3070000112056732 -0.47600001096725464 ARG HH21 H 0 N N 5.53000020980835 0.906000018119812 -4.613999843597412 ARG HH22 H 0 N N 7.0879998207092285 0.675000011920929 -3.874000072479248 ARG HXT H 0 N Y -1.1490000486373901 3.8550000190734863 -4.355000019073486 ASN N N 0 N N -0.2930000126361847 1.6859999895095825 0.09399999678134918 ASN CA C 0 N N -0.4480000138282776 0.2919999957084656 -0.3400000035762787 ASN C C 0 N N -1.8459999561309814 -0.17900000512599945 -0.03099999949336052 ASN O O 0 N N -2.509999990463257 0.4020000100135803 0.7940000295639038 ASN CB C 0 N N 0.5619999766349792 -0.5879999995231628 0.4009999930858612 ASN CG C 0 N N 1.9600000381469727 -0.19699999690055847 -0.0020000000949949026 ASN OD1 O 0 N N 2.131999969482422 0.6970000267028809 -0.8040000200271606 ASN ND2 N 0 N N 3.0190000534057617 -0.8410000205039978 0.5270000100135803 ASN OXT O 0 N Y -2.3529999256134033 -1.2430000305175781 -0.6729999780654907 ASN H H 0 N N -0.9039999842643738 2.296999931335449 -0.4269999861717224 ASN H2 H 0 N Y -0.453000009059906 1.7760000228881836 1.0859999656677246 ASN HA H 0 N N -0.27000001072883606 0.22300000488758087 -1.4129999876022339 ASN HB2 H 0 N N 0.44200000166893005 -0.45100000500679016 1.4759999513626099 ASN HB3 H 0 N N 0.3889999985694885 -1.6330000162124634 0.1459999978542328 ASN HD21 H 0 N N 2.88100004196167 -1.555999994277954 1.1679999828338623 ASN HD22 H 0 N N 3.9189999103546143 -0.5899999737739563 0.2680000066757202 ASN HXT H 0 N Y -3.253999948501587 -1.5080000162124634 -0.4410000145435333 ASP N N 0 N N -0.31700000166893005 1.687999963760376 0.06599999964237213 ASP CA C 0 N N -0.4699999988079071 0.28600001335144043 -0.3440000116825104 ASP C C 0 N N -1.8680000305175781 -0.18000000715255737 -0.028999999165534973 ASP O O 0 N N -2.5339999198913574 0.41499999165534973 0.7860000133514404 ASP CB C 0 N N 0.5389999747276306 -0.5799999833106995 0.4129999876022339 ASP CG C 0 N N 1.937999963760376 -0.19499999284744263 0.004000000189989805 ASP OD1 O 0 N N 2.1089999675750732 0.6809999942779541 -0.8100000023841858 ASP OD2 O 0 N N 2.992000102996826 -0.8259999752044678 0.5429999828338623 ASP OXT O 0 N Y -2.374000072479248 -1.25600004196167 -0.6520000100135803 ASP H H 0 N N -0.9279999732971191 2.2890000343322754 -0.46700000762939453 ASP H2 H 0 N Y -0.4779999852180481 1.7949999570846558 1.055999994277954 ASP HA H 0 N N -0.2919999957084656 0.19900000095367432 -1.4160000085830688 ASP HB2 H 0 N N 0.4189999997615814 -0.42500001192092896 1.4850000143051147 ASP HB3 H 0 N N 0.367000013589859 -1.6299999952316284 0.17599999904632568 ASP HD2 H 0 N N 3.86899995803833 -0.5450000166893005 0.25 ASP HXT H 0 N Y -3.2750000953674316 -1.5169999599456787 -0.41600000858306885 CYS N N 0 N N 1.5850000381469727 0.4830000102519989 -0.08100000023841858 CYS CA C 0 N N 0.14100000262260437 0.44999998807907104 0.1860000044107437 CYS C C 0 N N -0.0949999988079071 0.006000000052154064 1.6059999465942383 CYS O O 0 N N 0.6850000023841858 -0.7419999837875366 2.1429998874664307 CYS CB C 0 N N -0.5329999923706055 -0.5299999713897705 -0.7739999890327454 CYS SG S 0 N N -0.24699999392032623 0.004000000189989805 -2.4839999675750732 CYS OXT O 0 N Y -1.1740000247955322 0.4429999887943268 2.2750000953674316 CYS H H 0 N N 1.9279999732971191 -0.45399999618530273 0.06300000101327896 CYS H2 H 0 N Y 1.6929999589920044 0.6819999814033508 -1.065000057220459 CYS HA H 0 N N -0.2770000100135803 1.4459999799728394 0.041999999433755875 CYS HB2 H 0 N N -0.11400000005960464 -1.5260000228881836 -0.6299999952316284 CYS HB3 H 0 N N -1.6039999723434448 -0.5540000200271606 -0.574999988079071 CYS HG H 0 N N -0.9039999842643738 -0.9649999737739563 -3.1449999809265137 CYS HXT H 0 N Y -1.3259999752044678 0.15800000727176666 3.186000108718872 GLN N N 0 N N 1.8580000400543213 -0.14800000190734863 1.125 GLN CA C 0 N N 0.5170000195503235 0.45100000500679016 1.1119999885559082 GLN C C 0 N N -0.23600000143051147 0.02199999988079071 2.3440001010894775 GLN O O 0 N N -0.004999999888241291 -1.0490000247955322 2.8510000705718994 GLN CB C 0 N N -0.23600000143051147 -0.013000000268220901 -0.13500000536441803 GLN CG C 0 N N 0.5289999842643738 0.42100000381469727 -1.3849999904632568 GLN CD C 0 N N -0.21299999952316284 -0.035999998450279236 -2.614000082015991 GLN OE1 O 0 N N -1.2519999742507935 -0.6499999761581421 -2.5 GLN NE2 N 0 N N 0.2770000100135803 0.23600000143051147 -3.8389999866485596 GLN OXT O 0 N Y -1.1649999618530273 0.8309999704360962 2.878000020980835 GLN H H 0 N N 1.7289999723434448 -1.1480000019073486 1.1369999647140503 GLN H2 H 0 N Y 2.2860000133514404 0.07800000160932541 0.23999999463558197 GLN HA H 0 N N 0.6050000190734863 1.5369999408721924 1.0989999771118164 GLN HB2 H 0 N N -0.3240000009536743 -1.100000023841858 -0.12200000137090683 GLN HB3 H 0 N N -1.2309999465942383 0.4309999942779541 -0.14399999380111694 GLN HG2 H 0 N N 0.6169999837875366 1.5080000162124634 -1.3980000019073486 GLN HG3 H 0 N N 1.5240000486373901 -0.023000000044703484 -1.375 GLN HE21 H 0 N N -0.20000000298023224 -0.057999998331069946 -4.630000114440918 GLN HE22 H 0 N N 1.1089999675750732 0.7269999980926514 -3.930000066757202 GLN HXT H 0 N Y -1.6490000486373901 0.5559999942779541 3.6689999103546143 GLU N N 0 N N 1.1990000009536743 1.8669999837875366 -0.11699999868869781 GLU CA C 0 N N 1.1380000114440918 0.5149999856948853 0.453000009059906 GLU C C 0 N N 2.364000082015991 -0.25999999046325684 0.04100000113248825 GLU O O 0 N N 3.009999990463257 0.09600000083446503 -0.9160000085830688 GLU CB C 0 N N -0.11299999803304672 -0.20000000298023224 -0.06199999898672104 GLU CG C 0 N N -1.3600000143051147 0.5170000195503235 0.460999995470047 GLU CD C 0 N N -2.5929999351501465 -0.18700000643730164 -0.04600000008940697 GLU OE1 O 0 N N -2.484999895095825 -1.1610000133514404 -0.753000020980835 GLU OE2 O 0 N N -3.811000108718872 0.26899999380111694 0.28700000047683716 GLU OXT O 0 N Y 2.736999988555908 -1.3450000286102295 0.7369999885559082 GLU H H 0 N N 1.2369999885559082 1.8339999914169312 -1.125 GLU H2 H 0 N Y 0.42100000381469727 2.427000045776367 0.19699999690055847 GLU HA H 0 N N 1.0980000495910645 0.5799999833106995 1.5399999618530273 GLU HB2 H 0 N N -0.11699999868869781 -0.18700000643730164 -1.1519999504089355 GLU HB3 H 0 N N -0.11299999803304672 -1.2309999465942383 0.289000004529953 GLU HG2 H 0 N N -1.3569999933242798 0.5040000081062317 1.5509999990463257 GLU HG3 H 0 N N -1.3600000143051147 1.5479999780654907 0.10899999737739563 GLU HE2 H 0 N N -4.571000099182129 -0.2150000035762787 -0.06199999898672104 GLU HXT H 0 N Y 3.5299999713897705 -1.809000015258789 0.4350000023841858 GLY N N 0 N N 1.930999994277954 0.09000000357627869 -0.03400000184774399 GLY CA C 0 N N 0.7609999775886536 -0.7990000247955322 -0.00800000037997961 GLY C C 0 N N -0.49799999594688416 0.028999999165534973 -0.004999999888241291 GLY O O 0 N N -0.42899999022483826 1.2350000143051147 -0.023000000044703484 GLY OXT O 0 N Y -1.6970000267028809 -0.5740000009536743 0.017999999225139618 GLY H H 0 N N 1.909999966621399 0.7379999756813049 0.7379999756813049 GLY H2 H 0 N Y 2.7880001068115234 -0.44200000166893005 -0.03700000047683716 GLY HA2 H 0 N N 0.7720000147819519 -1.440000057220459 -0.8889999985694885 GLY HA3 H 0 N N 0.7929999828338623 -1.4149999618530273 0.890999972820282 GLY HXT H 0 N Y -2.4769999980926514 -0.0020000000949949026 0.01899999938905239 HIS N N 0 N N -0.03999999910593033 -1.2100000381469727 0.05299999937415123 HIS CA C 0 N N 1.1720000505447388 -1.7089999914169312 0.6520000100135803 HIS C C 0 N N 1.0829999446868896 -3.2070000171661377 0.9049999713897705 HIS O O 0 N N 0.03999999910593033 -3.7699999809265137 1.222000002861023 HIS CB C 0 N N 1.4839999675750732 -0.9750000238418579 1.9620000123977661 HIS CG C 0 Y N 2.940000057220459 -1.059999942779541 2.3529999256134033 HIS ND1 N 1 Y N 3.380000114440918 -2.075000047683716 3.128999948501587 HIS CD2 C 0 Y N 3.9600000381469727 -0.25099998712539673 2.0460000038146973 HIS CE1 C 0 Y N 4.692999839782715 -1.9079999923706055 3.316999912261963 HIS NE2 N 0 Y N 5.058000087738037 -0.8009999990463257 2.6619999408721924 HIS OXT O 0 N Y 2.246999979019165 -3.881999969482422 0.7440000176429749 HIS H H 0 N N -0.10199999809265137 -1.1549999713897705 -0.949999988079071 HIS H2 H 0 N Y -0.7149999737739563 -0.7409999966621399 0.6340000033378601 HIS HA H 0 N N 1.965000033378601 -1.5579999685287476 -0.08900000154972076 HIS HB2 H 0 N N 1.215000033378601 0.08699999749660492 1.878999948501587 HIS HB3 H 0 N N 0.859000027179718 -1.3680000305175781 2.7750000953674316 HIS HD1 H 0 N N 2.828000068664551 -2.8380000591278076 3.510999917984009 HIS HD2 H 0 N N 4.107999801635742 0.6470000147819519 1.4789999723434448 HIS HE1 H 0 N N 5.340000152587891 -2.549999952316284 3.8919999599456787 HIS HE2 H 0 N N 6.001999855041504 -0.42800000309944153 2.627000093460083 HIS HXT H 0 N Y 2.187999963760376 -4.8480000495910645 0.9010000228881836 ILE N N 0 N N -1.944000005722046 0.33500000834465027 -0.34299999475479126 ILE CA C 0 N N -0.4869999885559082 0.5189999938011169 -0.36899998784065247 ILE C C 0 N N 0.06599999964237213 -0.03200000151991844 -1.656999945640564 ILE O O 0 N N -0.48399999737739563 -0.9580000042915344 -2.203000068664551 ILE CB C 0 N N 0.14000000059604645 -0.21899999678134918 0.8140000104904175 ILE CG1 C 0 N N -0.42100000381469727 0.3409999907016754 2.121999979019165 ILE CG2 C 0 N N 1.6579999923706055 -0.027000000700354576 0.7879999876022339 ILE CD1 C 0 N N 0.20600000023841858 -0.3970000147819519 3.305000066757202 ILE OXT O 0 N Y 1.1710000038146973 0.5040000081062317 -2.197000026702881 ILE H H 0 N N -2.111999988555908 -0.656000018119812 -0.4099999964237213 ILE H2 H 0 N Y -2.25600004196167 0.621999979019165 0.5720000267028809 ILE HA H 0 N N -0.2529999911785126 1.5820000171661377 -0.29899999499320984 ILE HB H 0 N N -0.09200000017881393 -1.281000018119812 0.7440000176429749 ILE HG12 H 0 N N -1.5019999742507935 0.20399999618530273 2.1410000324249268 ILE HG13 H 0 N N -0.18799999356269836 1.402999997138977 2.191999912261963 ILE HG21 H 0 N N 1.8910000324249268 1.034000039100647 0.8569999933242798 ILE HG22 H 0 N N 2.1050000190734863 -0.5540000200271606 1.63100004196167 ILE HG23 H 0 N N 2.059000015258789 -0.4269999861717224 -0.14300000667572021 ILE HD11 H 0 N N -0.19300000369548798 0.0010000000474974513 4.236999988555908 ILE HD12 H 0 N N -0.026000000536441803 -1.4600000381469727 3.234999895095825 ILE HD13 H 0 N N 1.2869999408721924 -0.26100000739097595 3.2860000133514404 ILE HXT H 0 N Y 1.5269999504089355 0.15000000596046448 -3.0239999294281006 LEU N N 0 N N -1.6610000133514404 0.6269999742507935 -0.4059999883174896 LEU CA C 0 N N -0.20499999821186066 0.4410000145435333 -0.46700000762939453 LEU C C 0 N N 0.18000000715255737 -0.054999999701976776 -1.8359999656677246 LEU O O 0 N N -0.5910000205039978 -0.7310000061988831 -2.4739999771118164 LEU CB C 0 N N 0.22100000083446503 -0.5830000042915344 0.5849999785423279 LEU CG C 0 N N -0.17000000178813934 -0.07900000363588333 1.9759999513626099 LEU CD1 C 0 N N 0.25600001215934753 -1.1039999723434448 3.0290000438690186 LEU CD2 C 0 N N 0.5260000228881836 1.253999948501587 2.25 LEU OXT O 0 N Y 1.3819999694824219 0.2540000081062317 -2.3480000495910645 LEU H H 0 N N -2.0769999027252197 -0.2720000147819519 -0.5920000076293945 LEU H2 H 0 N Y -1.8839999437332153 0.8579999804496765 0.550000011920929 LEU HA H 0 N N 0.29100000858306885 1.3910000324249268 -0.2709999978542328 LEU HB2 H 0 N N 1.3009999990463257 -0.722000002861023 0.5400000214576721 LEU HB3 H 0 N N -0.2750000059604645 -1.534000039100647 0.38999998569488525 LEU HG H 0 N N -1.25 0.057999998331069946 2.0209999084472656 LEU HD11 H 0 N N -0.02199999988079071 -0.7450000047683716 4.019000053405762 LEU HD12 H 0 N N -0.23999999463558197 -2.055000066757202 2.8329999446868896 LEU HD13 H 0 N N 1.3359999656677246 -1.2430000305175781 2.9839999675750732 LEU HD21 H 0 N N 1.6059999465942383 1.1150000095367432 2.2049999237060547 LEU HD22 H 0 N N 0.22200000286102295 1.9839999675750732 1.5 LEU HD23 H 0 N N 0.24699999392032623 1.6130000352859497 3.240999937057495 LEU HXT H 0 N Y 1.6299999952316284 -0.06400000303983688 -3.2260000705718994 LYS N N 0 N N 1.4220000505447388 1.7960000038146973 0.1979999989271164 LYS CA C 0 N N 1.3940000534057617 0.35499998927116394 0.48399999737739563 LYS C C 0 N N 2.6570000648498535 -0.2840000092983246 -0.03200000151991844 LYS O O 0 N N 3.315999984741211 0.2750000059604645 -0.8759999871253967 LYS CB C 0 N N 0.18400000035762787 -0.27799999713897705 -0.20600000023841858 LYS CG C 0 N N -1.1019999980926514 0.28200000524520874 0.40700000524520874 LYS CD C 0 N N -2.312999963760376 -0.35100001096725464 -0.28299999237060547 LYS CE C 0 N N -3.5980000495910645 0.20800000429153442 0.32899999618530273 LYS NZ N 1 N N -4.761000156402588 -0.4000000059604645 -0.3319999873638153 LYS OXT O 0 N Y 3.049999952316284 -1.4759999513626099 0.44600000977516174 LYS H H 0 N N 1.4889999628067017 1.8910000324249268 -0.8040000200271606 LYS H2 H 0 N Y 0.5210000276565552 2.1619999408721924 0.46399998664855957 LYS HA H 0 N N 1.3220000267028809 0.20000000298023224 1.559999942779541 LYS HB2 H 0 N N 0.20999999344348907 -0.04699999839067459 -1.2699999809265137 LYS HB3 H 0 N N 0.210999995470047 -1.3589999675750732 -0.06800000369548798 LYS HG2 H 0 N N -1.128000020980835 0.05000000074505806 1.4709999561309814 LYS HG3 H 0 N N -1.1299999952316284 1.3630000352859497 0.26899999380111694 LYS HD2 H 0 N N -2.2869999408721924 -0.11999999731779099 -1.3480000495910645 LYS HD3 H 0 N N -2.2850000858306885 -1.4320000410079956 -0.14499999582767487 LYS HE2 H 0 N N -3.625 -0.023000000044703484 1.3940000534057617 LYS HE3 H 0 N N -3.625999927520752 1.2890000343322754 0.19200000166893005 LYS HZ1 H 0 N N -4.736000061035156 -0.1850000023841858 -1.3179999589920044 LYS HZ2 H 0 N N -4.735000133514404 -1.399999976158142 -0.20499999821186066 LYS HZ3 H 0 N N -5.609000205993652 -0.03099999949336052 0.07100000232458115 LYS HXT H 0 N Y 3.8610000610351562 -1.8860000371932983 0.11500000208616257 MET N N 0 N N -1.815999984741211 0.1420000046491623 -1.1660000085830688 MET CA C 0 N N -0.3919999897480011 0.49900001287460327 -1.2139999866485596 MET C C 0 N N 0.20600000023841858 0.0020000000949949026 -2.503999948501587 MET O O 0 N N -0.23600000143051147 -0.9890000224113464 -3.0329999923706055 MET CB C 0 N N 0.33399999141693115 -0.14499999582767487 -0.03200000151991844 MET CG C 0 N N -0.27300000190734863 0.35899999737739563 1.2769999504089355 MET SD S 0 N N 0.5889999866485596 -0.4050000011920929 2.677999973297119 MET CE C 0 N N -0.3140000104904175 0.3529999852180481 4.056000232696533 MET OXT O 0 N Y 1.2319999933242798 0.6610000133514404 -3.065999984741211 MET H H 0 N N -1.8650000095367432 -0.8640000224113464 -1.2200000286102295 MET H2 H 0 N Y -2.1489999294281006 0.39899998903274536 -0.24799999594688416 MET HA H 0 N N -0.28700000047683716 1.5820000171661377 -1.1579999923706055 MET HB2 H 0 N N 1.3910000324249268 0.11900000274181366 -0.06800000369548798 MET HB3 H 0 N N 0.2290000021457672 -1.2289999723434448 -0.08799999952316284 MET HG2 H 0 N N -1.3300000429153442 0.09399999678134918 1.312999963760376 MET HG3 H 0 N N -0.1679999977350235 1.4420000314712524 1.3329999446868896 MET HE1 H 0 N N 0.09000000357627869 -0.009999999776482582 5.0 MET HE2 H 0 N N -0.2070000022649765 1.4359999895095825 4.007999897003174 MET HE3 H 0 N N -1.36899995803833 0.08799999952316284 3.98799991607666 MET HXT H 0 N Y 1.6160000562667847 0.34200000762939453 -3.8940000534057617 PHE N N 0 N N 1.3170000314712524 0.9620000123977661 1.0140000581741333 PHE CA C 0 N N -0.019999999552965164 0.4259999990463257 1.2999999523162842 PHE C C 0 N N -0.10899999737739563 0.04699999839067459 2.75600004196167 PHE O O 0 N N 0.8790000081062317 -0.31700000166893005 3.3459999561309814 PHE CB C 0 N N -0.27000001072883606 -0.8090000152587891 0.4339999854564667 PHE CG C 0 Y N -0.1809999942779541 -0.4300000071525574 -1.0199999809265137 PHE CD1 C 0 Y N 1.031000018119812 -0.49799999594688416 -1.6799999475479126 PHE CD2 C 0 Y N -1.3140000104904175 -0.017999999225139618 -1.6979999542236328 PHE CE1 C 0 Y N 1.1119999885559082 -0.15000000596046448 -3.015000104904175 PHE CE2 C 0 Y N -1.2309999465942383 0.3330000042915344 -3.0320000648498535 PHE CZ C 0 Y N -0.017999999225139618 0.26499998569488525 -3.690999984741211 PHE OXT O 0 N Y -1.2860000133514404 0.11299999803304672 3.3959999084472656 PHE H H 0 N N 1.975000023841858 0.23000000417232513 1.2350000143051147 PHE H2 H 0 N Y 1.3650000095367432 1.1039999723434448 0.017000000923871994 PHE HA H 0 N N -0.7699999809265137 1.184000015258789 1.0759999752044678 PHE HB2 H 0 N N 0.47999998927116394 -1.5679999589920044 0.6589999794960022 PHE HB3 H 0 N N -1.2619999647140503 -1.2070000171661377 0.6460000276565552 PHE HD1 H 0 N N 1.9149999618530273 -0.8240000009536743 -1.1519999504089355 PHE HD2 H 0 N N -2.26200008392334 0.03400000184774399 -1.1829999685287476 PHE HE1 H 0 N N 2.059999942779541 -0.2029999941587448 -3.5299999713897705 PHE HE2 H 0 N N -2.115999937057495 0.6589999794960022 -3.559999942779541 PHE HZ H 0 N N 0.04500000178813934 0.5379999876022339 -4.734000205993652 PHE HXT H 0 N Y -1.343000054359436 -0.12999999523162842 4.329999923706055 PRO N N 0 N N -0.8159999847412109 1.1080000400543213 0.2540000081062317 PRO CA C 0 N N 0.0010000000474974513 -0.10700000077486038 0.5090000033378601 PRO C C 0 N N 1.4079999923706055 0.09099999815225601 0.004999999888241291 PRO O O 0 N N 1.649999976158142 0.9800000190734863 -0.7770000100135803 PRO CB C 0 N N -0.703000009059906 -1.2269999980926514 -0.28600001335144043 PRO CG C 0 N N -2.1630001068115234 -0.753000020980835 -0.4390000104904175 PRO CD C 0 N N -2.2179999351501465 0.6140000224113464 0.2759999930858612 PRO OXT O 0 N Y 2.3910000324249268 -0.7210000157356262 0.42399999499320984 PRO H H 0 N Y -0.7070000171661377 1.7079999446868896 1.0570000410079956 PRO HA H 0 N N 0.008999999612569809 -0.34299999475479126 1.5729999542236328 PRO HB2 H 0 N N -0.23999999463558197 -1.3450000286102295 -1.2660000324249268 PRO HB3 H 0 N N -0.6660000085830688 -2.1649999618530273 0.2669999897480011 PRO HG2 H 0 N N -2.4159998893737793 -0.6380000114440918 -1.4930000305175781 PRO HG3 H 0 N N -2.8429999351501465 -1.4579999446868896 0.03999999910593033 PRO HD2 H 0 N N -2.871999979019165 1.2999999523162842 -0.2630000114440918 PRO HD3 H 0 N N -2.559000015258789 0.492000013589859 1.3040000200271606 PRO HXT H 0 N Y 3.2929999828338623 -0.593999981880188 0.10100000351667404 SER N N 0 N N 1.524999976158142 0.49300000071525574 -0.6079999804496765 SER CA C 0 N N 0.10000000149011612 0.4690000116825104 -0.25200000405311584 SER C C 0 N N -0.05299999937415123 0.004000000189989805 1.1729999780654907 SER O O 0 N N 0.7509999871253967 -0.7599999904632568 1.6490000486373901 SER CB C 0 N N -0.6420000195503235 -0.48899999260902405 -1.184000015258789 SER OG O 0 N N -0.4959999918937683 -0.04899999871850014 -2.5350000858306885 SER OXT O 0 N Y -1.0839999914169312 0.4399999976158142 1.9129999876022339 SER H H 0 N N 1.8669999837875366 -0.4490000009536743 -0.49900001287460327 SER H2 H 0 N Y 1.5740000009536743 0.7070000171661377 -1.593000054359436 SER HA H 0 N N -0.3160000145435333 1.4709999561309814 -0.3540000021457672 SER HB2 H 0 N N -0.22499999403953552 -1.4910000562667847 -1.0809999704360962 SER HB3 H 0 N N -1.6990000009536743 -0.5070000290870667 -0.9200000166893005 SER HG H 0 N N -0.9779999852180481 -0.6790000200271606 -3.0880000591278076 SER HXT H 0 N Y -1.1829999685287476 0.1420000046491623 2.828000068664551 THR N N 0 N N 1.5429999828338623 -0.7020000219345093 0.4300000071525574 THR CA C 0 N N 0.12200000137090683 -0.7059999704360962 0.0560000017285347 THR C C 0 N N -0.03799999877810478 -0.09000000357627869 -1.309000015258789 THR O O 0 N N 0.7319999933242798 0.7609999775886536 -1.6829999685287476 THR CB C 0 N N -0.675000011920929 0.10400000214576721 1.0789999961853027 THR OG1 O 0 N N -0.19300000369548798 1.4479999542236328 1.1030000448226929 THR CG2 C 0 N N -0.5109999775886536 -0.5210000276565552 2.4660000801086426 THR OXT O 0 N Y -1.0390000343322754 -0.4880000054836273 -2.109999895095825 THR H H 0 N N 1.8389999866485596 0.26100000739097595 0.4339999854564667 THR H2 H 0 N Y 1.593000054359436 -1.024999976158142 1.3849999904632568 THR HA H 0 N N -0.24500000476837158 -1.7319999933242798 0.03799999877810478 THR HB H 0 N N -1.7289999723434448 0.10100000351667404 0.8019999861717224 THR HG1 H 0 N N 0.7400000095367432 1.406000018119812 1.3519999980926514 THR HG21 H 0 N N -1.0800000429153442 0.0560000017285347 3.194000005722046 THR HG22 H 0 N N -0.8790000081062317 -1.5470000505447388 2.447999954223633 THR HG23 H 0 N N 0.5419999957084656 -0.5180000066757202 2.743000030517578 THR HXT H 0 N Y -1.1430000066757202 -0.09200000017881393 -2.9860000610351562 TRP N N 0 N N 1.277999997138977 1.121000051498413 2.059000015258789 TRP CA C 0 N N -0.00800000037997961 0.4169999957084656 1.9700000286102295 TRP C C 0 N N -0.49000000953674316 0.07599999755620956 3.3570001125335693 TRP O O 0 N N 0.30799999833106995 -0.12999999523162842 4.239999771118164 TRP CB C 0 N N 0.1679999977350235 -0.8679999709129333 1.1610000133514404 TRP CG C 0 Y N 0.6499999761581421 -0.5260000228881836 -0.22499999403953552 TRP CD1 C 0 Y N 1.9279999732971191 -0.4180000126361847 -0.621999979019165 TRP CD2 C 0 Y N -0.1860000044107437 -0.25600001215934753 -1.3960000276565552 TRP NE1 N 0 Y N 1.9780000448226929 -0.0949999988079071 -1.9509999752044678 TRP CE2 C 0 Y N 0.7009999752044678 0.014000000432133675 -2.4539999961853027 TRP CE3 C 0 Y N -1.5640000104904175 -0.20999999344348907 -1.6150000095367432 TRP CZ2 C 0 Y N 0.1899999976158142 0.3140000104904175 -3.7119998931884766 TRP CZ3 C 0 Y N -2.0439999103546143 0.0860000029206276 -2.8589999675750732 TRP CH2 C 0 Y N -1.1729999780654907 0.3479999899864197 -3.9070000648498535 TRP OXT O 0 N Y -1.805999994277954 0.0010000000474974513 3.609999895095825 TRP H H 0 N N 1.9210000038146973 0.49300000071525574 2.5179998874664307 TRP H2 H 0 N Y 1.6109999418258667 1.2369999885559082 1.1130000352859497 TRP HA H 0 N N -0.7400000095367432 1.0579999685287476 1.4789999723434448 TRP HB2 H 0 N N 0.8999999761581421 -1.5089999437332153 1.6519999504089355 TRP HB3 H 0 N N -0.7860000133514404 -1.3899999856948853 1.0950000286102295 TRP HD1 H 0 N N 2.7890000343322754 -0.5640000104904175 0.012000000104308128 TRP HE1 H 0 N N 2.7909998893737793 0.035999998450279236 -2.4619998931884766 TRP HE3 H 0 N N -2.247999906539917 -0.4129999876022339 -0.8040000200271606 TRP HZ2 H 0 N N 0.8600000143051147 0.5210000276565552 -4.533999919891357 TRP HZ3 H 0 N N -3.109999895095825 0.11599999666213989 -3.0290000438690186 TRP HH2 H 0 N N -1.5670000314712524 0.5820000171661377 -4.885000228881836 TRP HXT H 0 N Y -2.115000009536743 -0.21699999272823334 4.5 TYR N N 0 N N 1.3200000524520874 0.9520000219345093 1.4279999732971191 TYR CA C 0 N N -0.017999999225139618 0.42899999022483826 1.7339999675750732 TYR C C 0 N N -0.10300000011920929 0.09399999678134918 3.2009999752044678 TYR O O 0 N N 0.8859999775886536 -0.2540000081062317 3.7990000247955322 TYR CB C 0 N N -0.27399998903274536 -0.8309999704360962 0.9070000052452087 TYR CG C 0 Y N -0.1889999955892563 -0.4959999918937683 -0.5590000152587891 TYR CD1 C 0 Y N 1.0219999551773071 -0.5889999866485596 -1.218999981880188 TYR CD2 C 0 Y N -1.3240000009536743 -0.10199999809265137 -1.24399995803833 TYR CE1 C 0 Y N 1.1030000448226929 -0.28200000524520874 -2.562999963760376 TYR CE2 C 0 Y N -1.246999979019165 0.20999999344348907 -2.5869998931884766 TYR CZ C 0 Y N -0.03200000151991844 0.11800000071525574 -3.252000093460083 TYR OH O 0 N N 0.04399999976158142 0.41999998688697815 -4.573999881744385 TYR OXT O 0 N Y -1.2790000438690186 0.18400000035762787 3.8420000076293945 TYR H H 0 N N 1.9769999980926514 0.22499999403953552 1.6690000295639038 TYR H2 H 0 N Y 1.3650000095367432 1.062999963760376 0.4259999990463257 TYR HA H 0 N N -0.7670000195503235 1.1829999685287476 1.4889999628067017 TYR HB2 H 0 N N 0.4729999899864197 -1.5850000381469727 1.1519999504089355 TYR HB3 H 0 N N -1.2680000066757202 -1.218999981880188 1.1339999437332153 TYR HD1 H 0 N N 1.9049999713897705 -0.9020000100135803 -0.6830000281333923 TYR HD2 H 0 N N -2.2690000534057617 -0.03099999949336052 -0.7269999980926514 TYR HE1 H 0 N N 2.0490000247955322 -0.3540000021457672 -3.078000068664551 TYR HE2 H 0 N N -2.131999969482422 0.5230000019073486 -3.121000051498413 TYR HH H 0 N N -0.12300000339746475 -0.39899998903274536 -5.059000015258789 TYR HXT H 0 N Y -1.3329999446868896 -0.029999999329447746 4.783999919891357 VAL N N 0 N N 1.5640000104904175 -0.6420000195503235 0.45399999618530273 VAL CA C 0 N N 0.14499999582767487 -0.6980000138282776 0.07900000363588333 VAL C C 0 N N -0.03700000047683716 -0.09300000220537186 -1.2879999876022339 VAL O O 0 N N 0.703000009059906 0.7839999794960022 -1.6640000343322754 VAL CB C 0 N N -0.6819999814033508 0.0860000029206276 1.0980000495910645 VAL CG1 C 0 N N -0.4970000088214874 -0.527999997138977 2.486999988555908 VAL CG2 C 0 N N -0.21799999475479126 1.5429999828338623 1.11899995803833 VAL OXT O 0 N Y -1.0219999551773071 -0.5289999842643738 -2.0889999866485596 VAL H H 0 N N 1.8250000476837158 0.3319999873638153 0.45500001311302185 VAL H2 H 0 N Y 1.6239999532699585 -0.9589999914169312 1.409999966621399 VAL HA H 0 N N -0.1860000044107437 -1.7359999418258667 0.06400000303983688 VAL HB H 0 N N -1.7359999418258667 0.04399999976158142 0.8199999928474426 VAL HG11 H 0 N N -1.0870000123977661 0.03099999949336052 3.2139999866485596 VAL HG12 H 0 N N -0.828000009059906 -1.565999984741211 2.4719998836517334 VAL HG13 H 0 N N 0.5550000071525574 -0.4860000014305115 2.765000104904175 VAL HG21 H 0 N N 0.8349999785423279 1.5850000381469727 1.3969999551773071 VAL HG22 H 0 N N -0.3499999940395355 1.9809999465942383 0.12999999523162842 VAL HG23 H 0 N N -0.8080000281333923 2.1029999256134033 1.8450000286102295 VAL HXT H 0 N Y -1.1390000581741333 -0.14000000059604645 -2.9670000076293945 50-120 UNK X 0 N N nan nan nan #