data_1CBS # _coordinate_server_result.query_type ligandInteraction _coordinate_server_result.datetime_utc '2024-04-24 05:20:17' _coordinate_server_result.is_empty no _coordinate_server_result.has_error no _coordinate_server_result.api_version 1.4.9 _coordinate_server_result.core_version 3.2.3 # loop_ _coordinate_server_query_params.name _coordinate_server_query_params.value authAsymId A authName REA authSeqNumber 200 radius 5 entityId . asymId . name . insCode . seqNumber . atomSitesOnly 0 modelId . format mmCIF encoding cif lowPrecisionCoords false # _entry.id 1CBS # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details _entity.pdbx_mutation _entity.pdbx_fragment _entity.pdbx_ec 1 polymer man 'CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II' ? ? . ? ? ? 2 non-polymer syn 'RETINOIC ACID' ? ? . ? ? ? 3 water nat water ? ? . ? ? ? # _exptl.entry_id 1CBS _exptl.method 'X-ray diffraction' # _cell.entry_id 1CBS _cell.length_a 45.65 _cell.length_b 47.56 _cell.length_c 77.61 _cell.angle_alpha 90 _cell.angle_beta 90 _cell.angle_gamma 90 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1CBS _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall . # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 PHE A 15 . LEU A 19 . PHE A 15 LEU A 19 1 ? 2 HELX_P HELX_P2 2 LEU A 28 . ALA A 36 . LEU A 28 ALA A 36 1 ? 5 # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.symmetry _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 2 THR A 54 . THR A 54 . ? THR A 54 THR A 54 A 7 ARG A 111 . ARG A 111 . ? ARG A 111 ARG A 111 A 6 LEU A 121 . MET A 123 . ? LEU A 121 MET A 123 A 5 ARG A 132 . TYR A 134 . ? ARG A 132 TYR A 134 A 4 ARG A-3_655 11 . GLU A-3_655 13 . ? ARG A-3_655 11 GLU A-3_655 13 A 5 THR A-3_655 131 . THR A-3_655 131 . ? THR A-3_655 131 THR A-3_655 131 # _entity_poly.entity_id 1 _entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE ; _entity_poly.pdbx_seq_one_letter_code_can ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE ; _entity_poly.pdbx_strand_id A,A-3_655 # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N Y 1 'Might not contain all original atoms depending on the query used' A-3_655 N Y 1 'Added by the Coordinate Server' B N Y 2 'Might not contain all original atoms depending on the query used' C N Y 3 'Might not contain all original atoms depending on the query used' # loop_ _chem_comp_bond.comp_id _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order ALA N 1 N N CA SING ALA N 2 N N H SING ALA N 3 N N H2 SING ALA N 4 N CA C SING ALA N 5 N CA CB SING ALA N 6 N CA HA SING ALA N 7 N C O DOUB ALA N 8 N C OXT SING ALA N 9 N CB HB1 SING ALA N 10 N CB HB2 SING ALA N 11 N CB HB3 SING ALA N 12 N OXT HXT SING ARG N 1 N N CA SING ARG N 2 N N H SING ARG N 3 N N H2 SING ARG N 4 N CA C SING ARG N 5 N CA CB SING ARG N 6 N CA HA SING ARG N 7 N C O DOUB ARG N 8 N C OXT SING ARG N 9 N CB CG SING ARG N 10 N CB HB2 SING ARG N 11 N CB HB3 SING ARG N 12 N CG CD SING ARG N 13 N CG HG2 SING ARG N 14 N CG HG3 SING ARG N 15 N CD NE SING ARG N 16 N CD HD2 SING ARG N 17 N CD HD3 SING ARG N 18 N NE CZ SING ARG N 19 N NE HE SING ARG N 20 N CZ NH1 SING ARG N 21 N CZ NH2 DOUB ARG N 22 N NH1 HH11 SING ARG N 23 N NH1 HH12 SING ARG N 24 N NH2 HH21 SING ARG N 25 N NH2 HH22 SING ARG N 26 N OXT HXT SING ASP N 1 N N CA SING ASP N 2 N N H SING ASP N 3 N N H2 SING ASP N 4 N CA C SING ASP N 5 N CA CB SING ASP N 6 N CA HA SING ASP N 7 N C O DOUB ASP N 8 N C OXT SING ASP N 9 N CB CG SING ASP N 10 N CB HB2 SING ASP N 11 N CB HB3 SING ASP N 12 N CG OD1 DOUB ASP N 13 N CG OD2 SING ASP N 14 N OD2 HD2 SING ASP N 15 N OXT HXT SING GLU N 1 N N CA SING GLU N 2 N N H SING GLU N 3 N N H2 SING GLU N 4 N CA C SING GLU N 5 N CA CB SING GLU N 6 N CA HA SING GLU N 7 N C O DOUB GLU N 8 N C OXT SING GLU N 9 N CB CG SING GLU N 10 N CB HB2 SING GLU N 11 N CB HB3 SING GLU N 12 N CG CD SING GLU N 13 N CG HG2 SING GLU N 14 N CG HG3 SING GLU N 15 N CD OE1 DOUB GLU N 16 N CD OE2 SING GLU N 17 N OE2 HE2 SING GLU N 18 N OXT HXT SING HOH N 1 N O H1 SING HOH N 2 N O H2 SING ILE N 1 N N CA SING ILE N 2 N N H SING ILE N 3 N N H2 SING ILE N 4 N CA C SING ILE N 5 N CA CB SING ILE N 6 N CA HA SING ILE N 7 N C O DOUB ILE N 8 N C OXT SING ILE N 9 N CB CG1 SING ILE N 10 N CB CG2 SING ILE N 11 N CB HB SING ILE N 12 N CG1 CD1 SING ILE N 13 N CG1 HG12 SING ILE N 14 N CG1 HG13 SING ILE N 15 N CG2 HG21 SING ILE N 16 N CG2 HG22 SING ILE N 17 N CG2 HG23 SING ILE N 18 N CD1 HD11 SING ILE N 19 N CD1 HD12 SING ILE N 20 N CD1 HD13 SING ILE N 21 N OXT HXT SING LEU N 1 N N CA SING LEU N 2 N N H SING LEU N 3 N N H2 SING LEU N 4 N CA C SING LEU N 5 N CA CB SING LEU N 6 N CA HA SING LEU N 7 N C O DOUB LEU N 8 N C OXT SING LEU N 9 N CB CG SING LEU N 10 N CB HB2 SING LEU N 11 N CB HB3 SING LEU N 12 N CG CD1 SING LEU N 13 N CG CD2 SING LEU N 14 N CG HG SING LEU N 15 N CD1 HD11 SING LEU N 16 N CD1 HD12 SING LEU N 17 N CD1 HD13 SING LEU N 18 N CD2 HD21 SING LEU N 19 N CD2 HD22 SING LEU N 20 N CD2 HD23 SING LEU N 21 N OXT HXT SING MET N 1 N N CA SING MET N 2 N N H SING MET N 3 N N H2 SING MET N 4 N CA C SING MET N 5 N CA CB SING MET N 6 N CA HA SING MET N 7 N C O DOUB MET N 8 N C OXT SING MET N 9 N CB CG SING MET N 10 N CB HB2 SING MET N 11 N CB HB3 SING MET N 12 N CG SD SING MET N 13 N CG HG2 SING MET N 14 N CG HG3 SING MET N 15 N SD CE SING MET N 16 N CE HE1 SING MET N 17 N CE HE2 SING MET N 18 N CE HE3 SING MET N 19 N OXT HXT SING PHE N 1 N N CA SING PHE N 2 N N H SING PHE N 3 N N H2 SING PHE N 4 N CA C SING PHE N 5 N CA CB SING PHE N 6 N CA HA SING PHE N 7 N C O DOUB PHE N 8 N C OXT SING PHE N 9 N CB CG SING PHE N 10 N CB HB2 SING PHE N 11 N CB HB3 SING PHE N 12 Y CG CD1 DOUB PHE N 13 Y CG CD2 SING PHE N 14 Y CD1 CE1 SING PHE N 15 N CD1 HD1 SING PHE N 16 Y CD2 CE2 DOUB PHE N 17 N CD2 HD2 SING PHE N 18 Y CE1 CZ DOUB PHE N 19 N CE1 HE1 SING PHE N 20 Y CE2 CZ SING PHE N 21 N CE2 HE2 SING PHE N 22 N CZ HZ SING PHE N 23 N OXT HXT SING PRO N 1 N N CA SING PRO N 2 N N CD SING PRO N 3 N N H SING PRO N 4 N CA C SING PRO N 5 N CA CB SING PRO N 6 N CA HA SING PRO N 7 N C O DOUB PRO N 8 N C OXT SING PRO N 9 N CB CG SING PRO N 10 N CB HB2 SING PRO N 11 N CB HB3 SING PRO N 12 N CG CD SING PRO N 13 N CG HG2 SING PRO N 14 N CG HG3 SING PRO N 15 N CD HD2 SING PRO N 16 N CD HD3 SING PRO N 17 N OXT HXT SING REA N 1 N C1 C2 SING REA N 2 N C1 C6 SING REA N 3 N C1 C16 SING REA N 4 N C1 C17 SING REA N 5 N C2 C3 SING REA N 6 N C2 H21 SING REA N 7 N C2 H22 SING REA N 8 N C3 C4 SING REA N 9 N C3 H31 SING REA N 10 N C3 H32 SING REA N 11 N C4 C5 SING REA N 12 N C4 H41 SING REA N 13 N C4 H42 SING REA N 14 N C5 C6 DOUB REA N 15 N C5 C18 SING REA N 16 N C6 C7 SING REA E 17 N C7 C8 DOUB REA N 18 N C7 H7 SING REA N 19 N C8 C9 SING REA N 20 N C8 H8 SING REA E 21 N C9 C10 DOUB REA N 22 N C9 C19 SING REA N 23 N C10 C11 SING REA N 24 N C10 H10 SING REA E 25 N C11 C12 DOUB REA N 26 N C11 H11 SING REA N 27 N C12 C13 SING REA N 28 N C12 H12 SING REA E 29 N C13 C14 DOUB REA N 30 N C13 C20 SING REA N 31 N C14 C15 SING REA N 32 N C14 H14 SING REA N 33 N C15 O1 DOUB REA N 34 N C15 O2 SING REA N 35 N C16 H161 SING REA N 36 N C16 H162 SING REA N 37 N C16 H163 SING REA N 38 N C17 H171 SING REA N 39 N C17 H172 SING REA N 40 N C17 H173 SING REA N 41 N C18 H181 SING REA N 42 N C18 H182 SING REA N 43 N C18 H183 SING REA N 44 N C19 H191 SING REA N 45 N C19 H192 SING REA N 46 N C19 H193 SING REA N 47 N C20 H201 SING REA N 48 N C20 H202 SING REA N 49 N C20 H203 SING REA N 50 N O2 HO2 SING THR N 1 N N CA SING THR N 2 N N H SING THR N 3 N N H2 SING THR N 4 N CA C SING THR N 5 N CA CB SING THR N 6 N CA HA SING THR N 7 N C O DOUB THR N 8 N C OXT SING THR N 9 N CB OG1 SING THR N 10 N CB CG2 SING THR N 11 N CB HB SING THR N 12 N OG1 HG1 SING THR N 13 N CG2 HG21 SING THR N 14 N CG2 HG22 SING THR N 15 N CG2 HG23 SING THR N 16 N OXT HXT SING TYR N 1 N N CA SING TYR N 2 N N H SING TYR N 3 N N H2 SING TYR N 4 N CA C SING TYR N 5 N CA CB SING TYR N 6 N CA HA SING TYR N 7 N C O DOUB TYR N 8 N C OXT SING TYR N 9 N CB CG SING TYR N 10 N CB HB2 SING TYR N 11 N CB HB3 SING TYR N 12 Y CG CD1 DOUB TYR N 13 Y CG CD2 SING TYR N 14 Y CD1 CE1 SING TYR N 15 N CD1 HD1 SING TYR N 16 Y CD2 CE2 DOUB TYR N 17 N CD2 HD2 SING TYR N 18 Y CE1 CZ DOUB TYR N 19 N CE1 HE1 SING TYR N 20 Y CE2 CZ SING TYR N 21 N CE2 HE2 SING TYR N 22 N CZ OH SING TYR N 23 N OH HH SING TYR N 24 N OXT HXT SING VAL N 1 N N CA SING VAL N 2 N N H SING VAL N 3 N N H2 SING VAL N 4 N CA C SING VAL N 5 N CA CB SING VAL N 6 N CA HA SING VAL N 7 N C O DOUB VAL N 8 N C OXT SING VAL N 9 N CB CG1 SING VAL N 10 N CB CG2 SING VAL N 11 N CB HB SING VAL N 12 N CG1 HG11 SING VAL N 13 N CG1 HG12 SING VAL N 14 N CG1 HG13 SING VAL N 15 N CG2 HG21 SING VAL N 16 N CG2 HG22 SING VAL N 17 N CG2 HG23 SING VAL N 18 N OXT HXT SING # _atom_sites.entry_id 1CBS _atom_sites.fract_transf_matrix[1][1] 0.021906 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 _atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.021026 _atom_sites.fract_transf_matrix[2][3] 0 _atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.012885 _atom_sites.fract_transf_vector[3] 0 # loop_ _atom_site.group_PDB _atom_site.id _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.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_model_num ATOM 46 N N . PHE A 1 15 . 22.734 15.777 17.536 1 7.26 ? N PHE A 15 1 ATOM 47 C CA . PHE A 1 15 . 22.385 17.198 17.681 1 9.06 ? CA PHE A 15 1 ATOM 48 C C . PHE A 1 15 . 22.041 17.878 16.358 1 9.15 ? C PHE A 15 1 ATOM 49 O O . PHE A 1 15 . 21.041 18.578 16.265 1 8.64 ? O PHE A 15 1 ATOM 50 C CB . PHE A 1 15 . 23.497 17.99 18.379 1 10.05 ? CB PHE A 15 1 ATOM 51 C CG . PHE A 1 15 . 23.102 19.397 18.746 1 10.57 ? CG PHE A 15 1 ATOM 52 C CD1 . PHE A 1 15 . 22.032 19.633 19.605 1 13.39 ? CD1 PHE A 15 1 ATOM 53 C CD2 . PHE A 1 15 . 23.813 20.485 18.254 1 11.47 ? CD2 PHE A 15 1 ATOM 54 C CE1 . PHE A 1 15 . 21.678 20.929 19.968 1 13.52 ? CE1 PHE A 15 1 ATOM 55 C CE2 . PHE A 1 15 . 23.467 21.784 18.609 1 11.6 ? CE2 PHE A 15 1 ATOM 56 C CZ . PHE A 1 15 . 22.399 22.006 19.469 1 13.52 ? CZ PHE A 15 1 ATOM 83 N N . LEU A 1 19 . 18.387 19.568 14.864 1 10.75 ? N LEU A 19 1 ATOM 84 C CA . LEU A 1 19 . 18.275 20.906 14.276 1 11.15 ? CA LEU A 19 1 ATOM 85 C C . LEU A 1 19 . 17.671 20.873 12.874 1 12.52 ? C LEU A 19 1 ATOM 86 O O . LEU A 1 19 . 16.932 21.777 12.485 1 10.05 ? O LEU A 19 1 ATOM 87 C CB . LEU A 1 19 . 19.631 21.616 14.263 1 12.01 ? CB LEU A 19 1 ATOM 88 C CG . LEU A 1 19 . 20.282 21.963 15.614 1 10.42 ? CG LEU A 19 1 ATOM 89 C CD1 . LEU A 1 19 . 21.56 22.763 15.369 1 13.01 ? CD1 LEU A 19 1 ATOM 90 C CD2 . LEU A 1 19 . 19.312 22.742 16.513 1 11.45 ? CD2 LEU A 19 1 ATOM 119 N N . VAL A 1 24 . 16.32 24.315 10.869 1 14.78 ? N VAL A 24 1 ATOM 120 C CA . VAL A 1 24 . 17.44 25.241 10.86 1 13.71 ? CA VAL A 24 1 ATOM 121 C C . VAL A 1 24 . 18.289 24.983 9.607 1 15.09 ? C VAL A 24 1 ATOM 122 O O . VAL A 1 24 . 18.679 23.84 9.334 1 14.12 ? O VAL A 24 1 ATOM 123 C CB . VAL A 1 24 . 18.297 25.081 12.139 1 12.19 ? CB VAL A 24 1 ATOM 124 C CG1 . VAL A 1 24 . 19.465 26.054 12.109 1 8.69 ? CG1 VAL A 24 1 ATOM 125 C CG2 . VAL A 1 24 . 17.416 25.294 13.388 1 11.37 ? CG2 VAL A 24 1 ATOM 149 N N . LEU A 1 28 . 23.48 27.932 9.507 1 16.74 ? N LEU A 28 1 ATOM 150 C CA . LEU A 1 28 . 23.19 28.209 10.912 1 16.39 ? CA LEU A 28 1 ATOM 151 C C . LEU A 1 28 . 23.477 26.954 11.722 1 16.86 ? C LEU A 28 1 ATOM 152 O O . LEU A 1 28 . 23.954 27.038 12.852 1 15.09 ? O LEU A 28 1 ATOM 153 C CB . LEU A 1 28 . 21.739 28.679 11.111 1 15.94 ? CB LEU A 28 1 ATOM 154 C CG . LEU A 1 28 . 21.49 30.154 10.741 1 16.72 ? CG LEU A 28 1 ATOM 155 C CD1 . LEU A 1 28 . 20.008 30.496 10.78 1 14.38 ? CD1 LEU A 28 1 ATOM 156 C CD2 . LEU A 1 28 . 22.302 31.074 11.665 1 12.81 ? CD2 LEU A 28 1 ATOM 177 N N . ILE A 1 31 . 27.208 26.643 12.544 1 18.38 ? N ILE A 31 1 ATOM 178 C CA . ILE A 1 31 . 27.557 27.527 13.652 1 16.41 ? CA ILE A 31 1 ATOM 179 C C . ILE A 1 31 . 27.105 26.932 14.989 1 15.39 ? C ILE A 31 1 ATOM 180 O O . ILE A 1 31 . 27.888 26.855 15.93 1 14.9 ? O ILE A 31 1 ATOM 181 C CB . ILE A 1 31 . 26.881 28.92 13.471 1 16.63 ? CB ILE A 31 1 ATOM 182 C CG1 . ILE A 1 31 . 27.419 29.606 12.208 1 18.74 ? CG1 ILE A 31 1 ATOM 183 C CG2 . ILE A 1 31 . 27.071 29.791 14.713 1 15.71 ? CG2 ILE A 31 1 ATOM 184 C CD1 . ILE A 1 31 . 26.735 30.946 11.858 1 17.27 ? CD1 ILE A 31 1 ATOM 185 N N . ALA A 1 32 . 25.853 26.487 15.048 1 13.39 ? N ALA A 32 1 ATOM 186 C CA . ALA A 1 32 . 25.271 25.93 16.267 1 12.76 ? CA ALA A 32 1 ATOM 187 C C . ALA A 1 32 . 25.994 24.685 16.775 1 12.11 ? C ALA A 32 1 ATOM 188 O O . ALA A 1 32 . 26.325 24.598 17.946 1 10.54 ? O ALA A 32 1 ATOM 189 C CB . ALA A 1 32 . 23.79 25.638 16.04 1 12.45 ? CB ALA A 32 1 ATOM 202 N N . ALA A 1 35 . 29.495 25.48 18.375 1 13.2 ? N ALA A 35 1 ATOM 203 C CA . ALA A 1 35 . 29.371 26.134 19.671 1 13.04 ? CA ALA A 35 1 ATOM 204 C C . ALA A 1 35 . 28.807 25.2 20.749 1 12.91 ? C ALA A 35 1 ATOM 205 O O . ALA A 1 35 . 29.245 25.239 21.895 1 12.32 ? O ALA A 35 1 ATOM 206 C CB . ALA A 1 35 . 28.517 27.387 19.552 1 12.14 ? CB ALA A 35 1 ATOM 207 N N . ALA A 1 36 . 27.878 24.332 20.362 1 11.4 ? N ALA A 36 1 ATOM 208 C CA . ALA A 1 36 . 27.253 23.416 21.312 1 12.63 ? CA ALA A 36 1 ATOM 209 C C . ALA A 1 36 . 28.128 22.256 21.77 1 13.4 ? C ALA A 36 1 ATOM 210 O O . ALA A 1 36 . 27.743 21.512 22.668 1 13.47 ? O ALA A 36 1 ATOM 211 C CB . ALA A 1 36 . 25.952 22.883 20.744 1 11.79 ? CB ALA A 36 1 ATOM 227 N N . PRO A 1 39 . 29.669 23.321 25.906 1 13.53 ? N PRO A 39 1 ATOM 228 C CA . PRO A 1 39 . 28.851 24.201 26.747 1 11.87 ? CA PRO A 39 1 ATOM 229 C C . PRO A 1 39 . 29.292 24.248 28.211 1 12.05 ? C PRO A 39 1 ATOM 230 O O . PRO A 1 39 . 30.027 23.38 28.676 1 12.12 ? O PRO A 39 1 ATOM 231 C CB . PRO A 1 39 . 27.469 23.56 26.649 1 9.34 ? CB PRO A 39 1 ATOM 232 C CG . PRO A 1 39 . 27.779 22.131 26.593 1 10.32 ? CG PRO A 39 1 ATOM 233 C CD . PRO A 1 39 . 29.009 22.02 25.703 1 10.86 ? CD PRO A 39 1 ATOM 263 N N . THR A 1 54 . 22.686 27.445 30.625 1 8.49 ? N THR A 54 1 ATOM 264 C CA . THR A 1 54 . 23.478 26.747 29.628 1 7.98 ? CA THR A 54 1 ATOM 265 C C . THR A 1 54 . 24.118 27.82 28.764 1 8.23 ? C THR A 54 1 ATOM 266 O O . THR A 1 54 . 23.433 28.584 28.087 1 8.4 ? O THR A 54 1 ATOM 267 C CB . THR A 1 54 . 22.621 25.817 28.789 1 8.33 ? CB THR A 54 1 ATOM 268 O OG1 . THR A 1 54 . 21.896 24.946 29.66 1 9.95 ? OG1 THR A 54 1 ATOM 269 C CG2 . THR A 1 54 . 23.505 24.976 27.873 1 4.95 ? CG2 THR A 54 1 ATOM 276 N N . THR A 1 56 . 27.091 29.094 25.825 1 8.86 ? N THR A 56 1 ATOM 277 C CA . THR A 1 56 . 27.978 28.831 24.684 1 8.05 ? CA THR A 56 1 ATOM 278 C C . THR A 1 56 . 28.393 30.215 24.138 1 8.09 ? C THR A 56 1 ATOM 279 O O . THR A 1 56 . 27.834 31.237 24.525 1 7.17 ? O THR A 56 1 ATOM 280 C CB . THR A 1 56 . 27.296 28.024 23.534 1 6.7 ? CB THR A 56 1 ATOM 281 O OG1 . THR A 1 56 . 26.294 28.829 22.909 1 9.76 ? OG1 THR A 56 1 ATOM 282 C CG2 . THR A 1 56 . 26.653 26.751 24.049 1 7.76 ? CG2 THR A 56 1 ATOM 290 N N . VAL A 1 58 . 27.786 31.51 21.356 1 8.04 ? N VAL A 58 1 ATOM 291 C CA . VAL A 1 58 . 26.733 32.09 20.5 1 9.09 ? CA VAL A 58 1 ATOM 292 C C . VAL A 1 58 . 25.328 32.224 21.102 1 8.67 ? C VAL A 58 1 ATOM 293 O O . VAL A 1 58 . 24.466 32.892 20.531 1 6.97 ? O VAL A 58 1 ATOM 294 C CB . VAL A 1 58 . 26.602 31.287 19.155 1 9.96 ? CB VAL A 58 1 ATOM 295 C CG1 . VAL A 1 58 . 27.976 31.161 18.454 1 11.08 ? CG1 VAL A 58 1 ATOM 296 C CG2 . VAL A 1 58 . 26.01 29.89 19.404 1 9.41 ? CG2 VAL A 58 1 ATOM 297 N N . ARG A 1 59 . 25.1 31.62 22.266 1 8.88 ? N ARG A 59 1 ATOM 298 C CA . ARG A 1 59 . 23.783 31.655 22.882 1 9.95 ? CA ARG A 59 1 ATOM 299 C C . ARG A 1 59 . 23.843 31.14 24.303 1 10.14 ? C ARG A 59 1 ATOM 300 O O . ARG A 1 59 . 24.44 30.108 24.556 1 10.1 ? O ARG A 59 1 ATOM 301 C CB . ARG A 1 59 . 22.837 30.751 22.074 1 13.11 ? CB ARG A 59 1 ATOM 302 C CG . ARG A 1 59 . 21.417 30.569 22.623 1 16.8 ? CG ARG A 59 1 ATOM 303 C CD . ARG A 1 59 . 20.521 29.961 21.535 1 18.74 ? CD ARG A 59 1 ATOM 304 N NE . ARG A 1 59 . 19.25 29.44 22.032 1 20.63 ? NE ARG A 59 1 ATOM 305 C CZ . ARG A 1 59 . 18.147 30.165 22.193 1 22.94 ? CZ ARG A 59 1 ATOM 306 N NH1 . ARG A 1 59 . 18.138 31.462 21.894 1 22.55 ? NH1 ARG A 59 1 ATOM 307 N NH2 . ARG A 1 59 . 17.051 29.594 22.686 1 23.68 ? NH2 ARG A 59 1 ATOM 364 N N . VAL A 1 76 . 14.841 24.731 21.377 1 13.77 ? N VAL A 76 1 ATOM 365 C CA . VAL A 1 76 . 16.278 24.762 21.049 1 14.39 ? CA VAL A 76 1 ATOM 366 C C . VAL A 1 76 . 16.612 25.734 19.914 1 12.97 ? C VAL A 76 1 ATOM 367 O O . VAL A 1 76 . 17.639 26.407 19.956 1 13.75 ? O VAL A 76 1 ATOM 368 C CB . VAL A 1 76 . 16.827 23.351 20.68 1 15.44 ? CB VAL A 76 1 ATOM 369 C CG1 . VAL A 1 76 . 18.332 23.314 20.844 1 17.74 ? CG1 VAL A 76 1 ATOM 370 C CG2 . VAL A 1 76 . 16.218 22.293 21.548 1 19.99 ? CG2 VAL A 76 1 ATOM 371 N N . ASP A 1 77 . 15.73 25.824 18.921 1 13.67 ? N ASP A 77 1 ATOM 372 C CA . ASP A 1 77 . 15.933 26.727 17.789 1 14.47 ? CA ASP A 77 1 ATOM 373 C C . ASP A 1 77 . 15.486 28.172 18.061 1 15.23 ? C ASP A 77 1 ATOM 374 O O . ASP A 1 77 . 15.461 29.002 17.153 1 14.9 ? O ASP A 77 1 ATOM 375 C CB . ASP A 1 77 . 15.301 26.158 16.503 1 15.63 ? CB ASP A 77 1 ATOM 376 C CG . ASP A 1 77 . 13.79 26.007 16.585 1 15.92 ? CG ASP A 77 1 ATOM 377 O OD1 . ASP A 1 77 . 13.26 25.47 17.586 1 14.64 ? OD1 ASP A 77 1 ATOM 378 O OD2 . ASP A 1 77 . 13.123 26.409 15.613 1 17.79 ? OD2 ASP A 77 1 ATOM 443 N N . ARG A 1 111 . 15.669 15.293 31.727 1 6.72 ? N ARG A 111 1 ATOM 444 C CA . ARG A 1 111 . 16.966 15.356 32.425 1 6.27 ? CA ARG A 111 1 ATOM 445 C C . ARG A 1 111 . 16.924 14.287 33.483 1 7.89 ? C ARG A 111 1 ATOM 446 O O . ARG A 1 111 . 15.928 14.156 34.193 1 8.35 ? O ARG A 111 1 ATOM 447 C CB . ARG A 1 111 . 17.24 16.722 33.068 1 6.2 ? CB ARG A 111 1 ATOM 448 C CG . ARG A 1 111 . 17.703 17.765 32.06 1 7.38 ? CG ARG A 111 1 ATOM 449 C CD . ARG A 1 111 . 18.1 19.072 32.727 1 8.7 ? CD ARG A 111 1 ATOM 450 N NE . ARG A 1 111 . 18.783 19.965 31.784 1 9.83 ? NE ARG A 111 1 ATOM 451 C CZ . ARG A 1 111 . 18.158 20.804 30.963 1 10.23 ? CZ ARG A 111 1 ATOM 452 N NH1 . ARG A 1 111 . 16.84 20.869 30.966 1 10.89 ? NH1 ARG A 111 1 ATOM 453 N NH2 . ARG A 1 111 . 18.847 21.59 30.144 1 11.56 ? NH2 ARG A 111 1 ATOM 454 N N . LEU A 1 121 . 20.771 14.301 29.306 1 6.41 ? N LEU A 121 1 ATOM 455 C CA . LEU A 1 121 . 19.783 15.236 28.779 1 6.25 ? CA LEU A 121 1 ATOM 456 C C . LEU A 1 121 . 19.299 14.693 27.426 1 7.41 ? C LEU A 121 1 ATOM 457 O O . LEU A 1 121 . 20.115 14.242 26.619 1 6.01 ? O LEU A 121 1 ATOM 458 C CB . LEU A 1 121 . 20.4 16.624 28.526 1 7.37 ? CB LEU A 121 1 ATOM 459 C CG . LEU A 1 121 . 19.607 17.58 27.597 1 7.96 ? CG LEU A 121 1 ATOM 460 C CD1 . LEU A 1 121 . 18.34 18.117 28.29 1 7.91 ? CD1 LEU A 121 1 ATOM 461 C CD2 . LEU A 1 121 . 20.501 18.739 27.151 1 7.96 ? CD2 LEU A 121 1 ATOM 469 N N . MET A 1 123 . 16.732 15.613 24.11 1 7.87 ? N MET A 123 1 ATOM 470 C CA . MET A 1 123 . 15.904 16.643 23.494 1 9.22 ? CA MET A 123 1 ATOM 471 C C . MET A 1 123 . 15.194 15.95 22.337 1 8.66 ? C MET A 123 1 ATOM 472 O O . MET A 1 123 . 15.828 15.189 21.601 1 8.09 ? O MET A 123 1 ATOM 473 C CB . MET A 1 123 . 16.76 17.818 23.019 1 9.37 ? CB MET A 123 1 ATOM 474 C CG . MET A 1 123 . 17.359 18.612 24.171 1 11.81 ? CG MET A 123 1 ATOM 475 S SD . MET A 1 123 . 18.325 20.048 23.658 1 16.59 ? SD MET A 123 1 ATOM 476 C CE . MET A 1 123 . 19.871 19.278 23.173 1 14.1 ? CE MET A 123 1 ATOM 502 N N . ARG A 1 132 . 22.624 13.78 25.202 1 6.29 ? N ARG A 132 1 ATOM 503 C CA . ARG A 1 132 . 23.853 14.429 25.66 1 7.67 ? CA ARG A 132 1 ATOM 504 C C . ARG A 1 132 . 24.108 13.96 27.093 1 7.19 ? C ARG A 132 1 ATOM 505 O O . ARG A 1 132 . 23.184 13.895 27.902 1 8.65 ? O ARG A 132 1 ATOM 506 C CB . ARG A 1 132 . 23.719 15.957 25.621 1 9.67 ? CB ARG A 132 1 ATOM 507 C CG . ARG A 1 132 . 22.945 16.47 24.429 1 15.02 ? CG ARG A 132 1 ATOM 508 C CD . ARG A 1 132 . 23.781 17.26 23.476 1 16.8 ? CD ARG A 132 1 ATOM 509 N NE . ARG A 1 132 . 24.14 18.58 23.984 1 12.48 ? NE ARG A 132 1 ATOM 510 C CZ . ARG A 1 132 . 25.03 19.377 23.395 1 12.93 ? CZ ARG A 132 1 ATOM 511 N NH1 . ARG A 1 132 . 25.641 19.005 22.279 1 13.84 ? NH1 ARG A 132 1 ATOM 512 N NH2 . ARG A 1 132 . 25.398 20.506 23.973 1 11.57 ? NH2 ARG A 132 1 ATOM 513 N N . TYR A 1 134 . 26.619 14.337 30.635 1 5.35 ? N TYR A 134 1 ATOM 514 C CA . TYR A 1 134 . 27.538 15.228 31.322 1 4.57 ? CA TYR A 134 1 ATOM 515 C C . TYR A 1 134 . 28.014 14.611 32.617 1 5.3 ? C TYR A 134 1 ATOM 516 O O . TYR A 1 134 . 27.371 13.712 33.165 1 3.92 ? O TYR A 134 1 ATOM 517 C CB . TYR A 1 134 . 26.846 16.55 31.686 1 6.84 ? CB TYR A 134 1 ATOM 518 C CG . TYR A 1 134 . 26.118 17.251 30.574 1 8.89 ? CG TYR A 134 1 ATOM 519 C CD1 . TYR A 1 134 . 24.901 16.762 30.122 1 10.29 ? CD1 TYR A 134 1 ATOM 520 C CD2 . TYR A 1 134 . 26.628 18.406 29.992 1 10.49 ? CD2 TYR A 134 1 ATOM 521 C CE1 . TYR A 1 134 . 24.212 17.386 29.133 1 13.03 ? CE1 TYR A 134 1 ATOM 522 C CE2 . TYR A 1 134 . 25.93 19.051 28.982 1 12.15 ? CE2 TYR A 134 1 ATOM 523 C CZ . TYR A 1 134 . 24.723 18.517 28.567 1 12.8 ? CZ TYR A 134 1 ATOM 524 O OH . TYR A 1 134 . 23.991 19.082 27.567 1 18.07 ? OH TYR A 134 1 ATOM 525 N N . ARG A-3_655 1 11 . 16.084 37.199 12.775 1 7.59 ? N ARG A-3_655 11 1 ATOM 526 C CA . ARG A-3_655 1 11 . 16.635 36.522 13.954 1 8.7 ? CA ARG A-3_655 11 1 ATOM 527 C C . ARG A-3_655 1 11 . 17.829 37.28 14.515 1 9.41 ? C ARG A-3_655 11 1 ATOM 528 O O . ARG A-3_655 1 11 . 18.66 37.784 13.762 1 9.84 ? O ARG A-3_655 11 1 ATOM 529 C CB . ARG A-3_655 1 11 . 17.087 35.096 13.621 1 8.07 ? CB ARG A-3_655 11 1 ATOM 530 C CG . ARG A-3_655 1 11 . 17.738 34.396 14.807 1 12.26 ? CG ARG A-3_655 11 1 ATOM 531 C CD . ARG A-3_655 1 11 . 18.416 33.12 14.411 1 13.46 ? CD ARG A-3_655 11 1 ATOM 532 N NE . ARG A-3_655 1 11 . 17.493 32.084 13.958 1 15.44 ? NE ARG A-3_655 11 1 ATOM 533 C CZ . ARG A-3_655 1 11 . 16.835 31.25 14.768 1 19.59 ? CZ ARG A-3_655 11 1 ATOM 534 N NH1 . ARG A-3_655 1 11 . 16.973 31.339 16.091 1 19.4 ? NH1 ARG A-3_655 11 1 ATOM 535 N NH2 . ARG A-3_655 1 11 . 16.129 30.247 14.258 1 17.5 ? NH2 ARG A-3_655 11 1 ATOM 542 N N . GLU A-3_655 1 13 . 20.634 36.818 17.881 1 7.59 ? N GLU A-3_655 13 1 ATOM 543 C CA . GLU A-3_655 1 13 . 21.064 36.038 19.037 1 9.67 ? CA GLU A-3_655 13 1 ATOM 544 C C . GLU A-3_655 1 13 . 22.282 36.667 19.687 1 9.06 ? C GLU A-3_655 13 1 ATOM 545 O O . GLU A-3_655 1 13 . 23.193 37.123 18.99 1 7.34 ? O GLU A-3_655 13 1 ATOM 546 C CB . GLU A-3_655 1 13 . 21.465 34.613 18.621 1 9.72 ? CB GLU A-3_655 13 1 ATOM 547 C CG . GLU A-3_655 1 13 . 20.393 33.798 17.91 1 15.17 ? CG GLU A-3_655 13 1 ATOM 548 C CD . GLU A-3_655 1 13 . 19.388 33.12 18.851 1 18.75 ? CD GLU A-3_655 13 1 ATOM 549 O OE1 . GLU A-3_655 1 13 . 19.619 33.09 20.079 1 18.53 ? OE1 GLU A-3_655 13 1 ATOM 550 O OE2 . GLU A-3_655 1 13 . 18.364 32.602 18.348 1 19.23 ? OE2 GLU A-3_655 13 1 ATOM 611 N N . THR A-3_655 1 131 . 24.864 36.705 16.433 1 6.58 ? N THR A-3_655 131 1 ATOM 612 C CA . THR A-3_655 1 131 . 24.409 36.242 15.112 1 5.93 ? CA THR A-3_655 131 1 ATOM 613 C C . THR A-3_655 1 131 . 23.081 36.882 14.751 1 6.18 ? C THR A-3_655 131 1 ATOM 614 O O . THR A-3_655 1 131 . 22.122 36.783 15.511 1 5.77 ? O THR A-3_655 131 1 ATOM 615 C CB . THR A-3_655 1 131 . 24.231 34.694 15.106 1 6.63 ? CB THR A-3_655 131 1 ATOM 616 O OG1 . THR A-3_655 1 131 . 25.451 34.079 15.516 1 7.6 ? OG1 THR A-3_655 131 1 ATOM 617 C CG2 . THR A-3_655 1 131 . 23.887 34.179 13.714 1 7.76 ? CG2 THR A-3_655 131 1 HETATM 636 C C1 . REA B 2 . . 21.972 29.831 16.739 1 15.25 ? C1 REA A 200 1 HETATM 637 C C2 . REA B 2 . . 20.921 30.524 15.841 1 15.61 ? C2 REA A 200 1 HETATM 638 C C3 . REA B 2 . . 20.245 29.635 14.848 1 16.19 ? C3 REA A 200 1 HETATM 639 C C4 . REA B 2 . . 19.555 28.479 15.488 1 14.59 ? C4 REA A 200 1 HETATM 640 C C5 . REA B 2 . . 20.389 27.812 16.587 1 14.1 ? C5 REA A 200 1 HETATM 641 C C6 . REA B 2 . . 21.425 28.446 17.218 1 14.42 ? C6 REA A 200 1 HETATM 642 C C7 . REA B 2 . . 22.242 27.851 18.297 1 13.89 ? C7 REA A 200 1 HETATM 643 C C8 . REA B 2 . . 21.868 26.977 19.24 1 11.86 ? C8 REA A 200 1 HETATM 644 C C9 . REA B 2 . . 22.705 26.434 20.286 1 10.87 ? C9 REA A 200 1 HETATM 645 C C10 . REA B 2 . . 22.159 25.536 21.131 1 9.19 ? C10 REA A 200 1 HETATM 646 C C11 . REA B 2 . . 22.875 24.924 22.234 1 10.35 ? C11 REA A 200 1 HETATM 647 C C12 . REA B 2 . . 22.237 24.026 22.99 1 10.53 ? C12 REA A 200 1 HETATM 648 C C13 . REA B 2 . . 22.856 23.377 24.125 1 10.91 ? C13 REA A 200 1 HETATM 649 C C14 . REA B 2 . . 22.135 22.473 24.834 1 11.88 ? C14 REA A 200 1 HETATM 650 C C15 . REA B 2 . . 22.563 21.71 26.016 1 14.86 ? C15 REA A 200 1 HETATM 651 C C16 . REA B 2 . . 22.238 30.737 17.948 1 15.47 ? C16 REA A 200 1 HETATM 652 C C17 . REA B 2 . . 23.292 29.62 15.948 1 13.42 ? C17 REA A 200 1 HETATM 653 C C18 . REA B 2 . . 19.791 26.449 16.947 1 12.61 ? C18 REA A 200 1 HETATM 654 C C19 . REA B 2 . . 24.181 26.841 20.385 1 10.08 ? C19 REA A 200 1 HETATM 655 C C20 . REA B 2 . . 24.303 23.747 24.489 1 10.1 ? C20 REA A 200 1 HETATM 656 O O1 . REA B 2 . . 23.64 21.075 25.978 1 13.29 ? O1 REA A 200 1 HETATM 657 O O2 . REA B 2 . . 21.84 21.712 27.037 1 10.99 ? O2 REA A 200 1 HETATM 658 O O . HOH C 3 . . 21.817 19.604 31.169 1 17.43 ? O HOH A 300 1 HETATM 659 O O . HOH C 3 . . 22.885 27.835 25.056 1 18.86 ? O HOH A 302 1 HETATM 662 O O . HOH C 3 . . 19.116 26.759 22.93 1 22.33 ? O HOH A 307 1 HETATM 664 O O . HOH C 3 . . 21.823 21.939 29.734 1 13.95 ? O HOH A 309 1 HETATM 668 O O . HOH C 3 . . 25.244 34.269 18.193 1 9.65 ? O HOH A 321 1 HETATM 675 O O . HOH C 3 . . 19.533 23.6 26.857 1 21.12 ? O HOH A 343 1 HETATM 676 O O . HOH C 3 . . 17.892 24.675 24.549 1 48.11 ? O HOH A 344 1 HETATM 690 O O . HOH C 3 . . 20.458 26.214 25.811 1 24.39 ? O HOH A 393 1 # _coordinate_server_stats.molecule_cached no _coordinate_server_stats.io_time_ms 1 _coordinate_server_stats.parse_time_ms 22 _coordinate_server_stats.query_time_ms 18 _coordinate_server_stats.format_time_ms 4 #