data_1CBS # _coordinate_server_result.query_type sidechain _coordinate_server_result.datetime_utc '2024-04-26 22:04:15' _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 atomSitesOnly 0 modelId . format mmCIF encoding cif lowPrecisionCoords false # _entry.id 1CBS # _entity.id 1 _entity.type polymer _entity.src_method man _entity.pdbx_description 'CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II' _entity.formula_weight ? _entity.pdbx_number_of_molecules ? _entity.details . _entity.pdbx_mutation ? _entity.pdbx_fragment ? _entity.pdbx_ec ? # _exptl.entry_id 1CBS _exptl.method 'X-ray diffraction' # 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 ASN A 14 . LEU A 22 . ASN A 14 LEU A 22 1 ? 9 HELX_P HELX_P2 2 ASN A 25 . SER A 37 . ASN A 25 SER A 37 1 ? 13 # 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 4 ASN A 6 . GLU A 13 . ? ASN A 6 GLU A 13 A 3 ALA A 40 . GLU A 46 . ? ALA A 40 GLU A 46 A 2 THR A 49 . SER A 55 . ? THR A 49 SER A 55 A 1 THR A 60 . LYS A 66 . ? THR A 60 LYS A 66 A 10 PHE A 71 . GLN A 74 . ? PHE A 71 GLN A 74 A 9 PRO A 80 . SER A 89 . ? PRO A 80 SER A 89 A 8 LYS A 92 . LEU A 99 . ? LYS A 92 LEU A 99 A 7 THR A 107 . LEU A 113 . ? THR A 107 LEU A 113 A 6 LEU A 119 . ALA A 125 . ? LEU A 119 ALA A 125 A 5 VAL A 128 . ARG A 136 . ? VAL A 128 ARG A 136 # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1 _pdbx_struct_oper_list.matrix[1][2] 0 _pdbx_struct_oper_list.matrix[1][3] 0 _pdbx_struct_oper_list.vector[1] 0 _pdbx_struct_oper_list.matrix[2][1] 0 _pdbx_struct_oper_list.matrix[2][2] 1 _pdbx_struct_oper_list.matrix[2][3] 0 _pdbx_struct_oper_list.vector[2] 0 _pdbx_struct_oper_list.matrix[3][1] 0 _pdbx_struct_oper_list.matrix[3][2] 0 _pdbx_struct_oper_list.matrix[3][3] 1 _pdbx_struct_oper_list.vector[3] 0 # _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 . # _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 # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO n 1 2 ASN n 1 3 PHE n 1 4 SER n 1 5 GLY n 1 6 ASN n 1 7 TRP n 1 8 LYS n 1 9 ILE n 1 10 ILE n 1 11 ARG n 1 12 SER n 1 13 GLU n 1 14 ASN n 1 15 PHE n 1 16 GLU n 1 17 GLU n 1 18 LEU n 1 19 LEU n 1 20 LYS n 1 21 VAL n 1 22 LEU n 1 23 GLY n 1 24 VAL n 1 25 ASN n 1 26 VAL n 1 27 MET n 1 28 LEU n 1 29 ARG n 1 30 LYS n 1 31 ILE n 1 32 ALA n 1 33 VAL n 1 34 ALA n 1 35 ALA n 1 36 ALA n 1 37 SER n 1 38 LYS n 1 39 PRO n 1 40 ALA n 1 41 VAL n 1 42 GLU n 1 43 ILE n 1 44 LYS n 1 45 GLN n 1 46 GLU n 1 47 GLY n 1 48 ASP n 1 49 THR n 1 50 PHE n 1 51 TYR n 1 52 ILE n 1 53 LYS n 1 54 THR n 1 55 SER n 1 56 THR n 1 57 THR n 1 58 VAL n 1 59 ARG n 1 60 THR n 1 61 THR n 1 62 GLU n 1 63 ILE n 1 64 ASN n 1 65 PHE n 1 66 LYS n 1 67 VAL n 1 68 GLY n 1 69 GLU n 1 70 GLU n 1 71 PHE n 1 72 GLU n 1 73 GLU n 1 74 GLN n 1 75 THR n 1 76 VAL n 1 77 ASP n 1 78 GLY n 1 79 ARG n 1 80 PRO n 1 81 CYS n 1 82 LYS n 1 83 SER n 1 84 LEU n 1 85 VAL n 1 86 LYS n 1 87 TRP n 1 88 GLU n 1 89 SER n 1 90 GLU n 1 91 ASN n 1 92 LYS n 1 93 MET n 1 94 VAL n 1 95 CYS n 1 96 GLU n 1 97 GLN n 1 98 LYS n 1 99 LEU n 1 100 LEU n 1 101 LYS n 1 102 GLY n 1 103 GLU n 1 104 GLY n 1 105 PRO n 1 106 LYS n 1 107 THR n 1 108 SER n 1 109 TRP n 1 110 THR n 1 111 ARG n 1 112 GLU n 1 113 LEU n 1 114 THR n 1 115 ASN n 1 116 ASP n 1 117 GLY n 1 118 GLU n 1 119 LEU n 1 120 ILE n 1 121 LEU n 1 122 THR n 1 123 MET n 1 124 THR n 1 125 ALA n 1 126 ASP n 1 127 ASP n 1 128 VAL n 1 129 VAL n 1 130 CYS n 1 131 THR n 1 132 ARG n 1 133 VAL n 1 134 TYR n 1 135 VAL n 1 136 ARG n 1 137 GLU n # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified Y _struct_asym.entity_id 1 _struct_asym.details '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 ASN N 1 N N CA SING ASN N 2 N N H SING ASN N 3 N N H2 SING ASN N 4 N CA C SING ASN N 5 N CA CB SING ASN N 6 N CA HA SING ASN N 7 N C O DOUB ASN N 8 N C OXT SING ASN N 9 N CB CG SING ASN N 10 N CB HB2 SING ASN N 11 N CB HB3 SING ASN N 12 N CG OD1 DOUB ASN N 13 N CG ND2 SING ASN N 14 N ND2 HD21 SING ASN N 15 N ND2 HD22 SING ASN N 16 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 CYS N 1 N N CA SING CYS N 2 N N H SING CYS N 3 N N H2 SING CYS N 4 N CA C SING CYS N 5 N CA CB SING CYS N 6 N CA HA SING CYS N 7 N C O DOUB CYS N 8 N C OXT SING CYS N 9 N CB SG SING CYS N 10 N CB HB2 SING CYS N 11 N CB HB3 SING CYS N 12 N SG HG SING CYS N 13 N OXT HXT SING GLN N 1 N N CA SING GLN N 2 N N H SING GLN N 3 N N H2 SING GLN N 4 N CA C SING GLN N 5 N CA CB SING GLN N 6 N CA HA SING GLN N 7 N C O DOUB GLN N 8 N C OXT SING GLN N 9 N CB CG SING GLN N 10 N CB HB2 SING GLN N 11 N CB HB3 SING GLN N 12 N CG CD SING GLN N 13 N CG HG2 SING GLN N 14 N CG HG3 SING GLN N 15 N CD OE1 DOUB GLN N 16 N CD NE2 SING GLN N 17 N NE2 HE21 SING GLN N 18 N NE2 HE22 SING GLN N 19 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 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 LYS N 1 N N CA SING LYS N 2 N N H SING LYS N 3 N N H2 SING LYS N 4 N CA C SING LYS N 5 N CA CB SING LYS N 6 N CA HA SING LYS N 7 N C O DOUB LYS N 8 N C OXT SING LYS N 9 N CB CG SING LYS N 10 N CB HB2 SING LYS N 11 N CB HB3 SING LYS N 12 N CG CD SING LYS N 13 N CG HG2 SING LYS N 14 N CG HG3 SING LYS N 15 N CD CE SING LYS N 16 N CD HD2 SING LYS N 17 N CD HD3 SING LYS N 18 N CE NZ SING LYS N 19 N CE HE2 SING LYS N 20 N CE HE3 SING LYS N 21 N NZ HZ1 SING LYS N 22 N NZ HZ2 SING LYS N 23 N NZ HZ3 SING LYS N 24 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 SER N 1 N N CA SING SER N 2 N N H SING SER N 3 N N H2 SING SER N 4 N CA C SING SER N 5 N CA CB SING SER N 6 N CA HA SING SER N 7 N C O DOUB SER N 8 N C OXT SING SER N 9 N CB OG SING SER N 10 N CB HB2 SING SER N 11 N CB HB3 SING SER N 12 N OG HG SING SER N 13 N OXT HXT 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 TRP N 1 N N CA SING TRP N 2 N N H SING TRP N 3 N N H2 SING TRP N 4 N CA C SING TRP N 5 N CA CB SING TRP N 6 N CA HA SING TRP N 7 N C O DOUB TRP N 8 N C OXT SING TRP N 9 N CB CG SING TRP N 10 N CB HB2 SING TRP N 11 N CB HB3 SING TRP N 12 Y CG CD1 DOUB TRP N 13 Y CG CD2 SING TRP N 14 Y CD1 NE1 SING TRP N 15 N CD1 HD1 SING TRP N 16 Y CD2 CE2 DOUB TRP N 17 Y CD2 CE3 SING TRP N 18 Y NE1 CE2 SING TRP N 19 N NE1 HE1 SING TRP N 20 Y CE2 CZ2 SING TRP N 21 Y CE3 CZ3 DOUB TRP N 22 N CE3 HE3 SING TRP N 23 Y CZ2 CH2 DOUB TRP N 24 N CZ2 HZ2 SING TRP N 25 Y CZ3 CH2 SING TRP N 26 N CZ3 HZ3 SING TRP N 27 N CH2 HH2 SING TRP N 28 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 5 C CB . PRO A 1 1 . 17.678 13.27 42.255 1 29.24 ? CB PRO A 1 1 ATOM 6 C CG . PRO A 1 1 . 16.248 13.734 42.347 1 29.29 ? CG PRO A 1 1 ATOM 7 C CD . PRO A 1 1 . 15.762 13.216 43.724 1 30.71 ? CD PRO A 1 1 ATOM 12 C CB . ASN A 1 2 . 21.559 16.62 44.724 1 22.81 ? CB ASN A 2 1 ATOM 13 C CG . ASN A 1 2 . 22.24 17.968 44.685 1 24.29 ? CG ASN A 2 1 ATOM 14 O OD1 . ASN A 1 2 . 21.612 18.984 44.358 1 21.87 ? OD1 ASN A 2 1 ATOM 15 N ND2 . ASN A 1 2 . 23.537 17.983 44.966 1 27.94 ? ND2 ASN A 2 1 ATOM 20 C CB . PHE A 1 3 . 19.97 18.262 39.188 1 10.74 ? CB PHE A 3 1 ATOM 21 C CG . PHE A 1 3 . 19.073 17.128 38.75 1 11.85 ? CG PHE A 3 1 ATOM 22 C CD1 . PHE A 1 3 . 18.066 16.646 39.581 1 10.9 ? CD1 PHE A 3 1 ATOM 23 C CD2 . PHE A 1 3 . 19.189 16.588 37.475 1 13.26 ? CD2 PHE A 3 1 ATOM 24 C CE1 . PHE A 1 3 . 17.2 15.662 39.149 1 9.12 ? CE1 PHE A 3 1 ATOM 25 C CE2 . PHE A 1 3 . 18.312 15.594 37.041 1 11.76 ? CE2 PHE A 3 1 ATOM 26 C CZ . PHE A 1 3 . 17.324 15.137 37.878 1 10.3 ? CZ PHE A 3 1 ATOM 31 C CB . SER A 1 4 . 23.112 21.301 42.906 1 13.53 ? CB SER A 4 1 ATOM 32 O OG . SER A 1 4 . 21.821 21.787 43.24 1 16.76 ? OG SER A 4 1 ATOM 41 C CB . ASN A 1 6 . 30.023 23.548 37.445 1 12.95 ? CB ASN A 6 1 ATOM 42 C CG . ASN A 1 6 . 29.675 24.816 38.2 1 18.08 ? CG ASN A 6 1 ATOM 43 O OD1 . ASN A 1 6 . 29.022 25.708 37.665 1 19.52 ? OD1 ASN A 6 1 ATOM 44 N ND2 . ASN A 1 6 . 30.047 24.872 39.467 1 21.23 ? ND2 ASN A 6 1 ATOM 49 C CB . TRP A 1 7 . 27.115 19.563 34.152 1 8 ? CB TRP A 7 1 ATOM 50 C CG . TRP A 1 7 . 26.325 19.198 35.391 1 8.01 ? CG TRP A 7 1 ATOM 51 C CD1 . TRP A 1 7 . 25.556 20.031 36.159 1 8.29 ? CD1 TRP A 7 1 ATOM 52 C CD2 . TRP A 1 7 . 26.174 17.885 35.947 1 7.6 ? CD2 TRP A 7 1 ATOM 53 N NE1 . TRP A 1 7 . 24.922 19.308 37.156 1 9.2 ? NE1 TRP A 7 1 ATOM 54 C CE2 . TRP A 1 7 . 25.286 17.987 37.046 1 8.73 ? CE2 TRP A 7 1 ATOM 55 C CE3 . TRP A 1 7 . 26.694 16.625 35.618 1 6.99 ? CE3 TRP A 7 1 ATOM 56 C CZ2 . TRP A 1 7 . 24.909 16.876 37.815 1 7.67 ? CZ2 TRP A 7 1 ATOM 57 C CZ3 . TRP A 1 7 . 26.32 15.527 36.38 1 7.58 ? CZ3 TRP A 7 1 ATOM 58 C CH2 . TRP A 1 7 . 25.433 15.663 37.468 1 5.92 ? CH2 TRP A 7 1 ATOM 63 C CB . LYS A 1 8 . 32.308 19.36 31.71 1 15.2 ? CB LYS A 8 1 ATOM 64 C CG . LYS A 1 8 . 32.785 18.08 32.313 1 18.52 ? CG LYS A 8 1 ATOM 65 C CD . LYS A 1 8 . 34.263 18.182 32.618 1 26.26 ? CD LYS A 8 1 ATOM 66 C CE . LYS A 1 8 . 35.091 18.499 31.378 1 29.22 ? CE LYS A 8 1 ATOM 67 N NZ . LYS A 1 8 . 35.067 17.393 30.369 1 32.48 ? NZ LYS A 8 1 ATOM 72 C CB . ILE A 1 9 . 29.148 17.997 27.144 1 10.7 ? CB ILE A 9 1 ATOM 73 C CG1 . ILE A 1 9 . 28.285 16.981 26.401 1 10.95 ? CG1 ILE A 9 1 ATOM 74 C CG2 . ILE A 1 9 . 30.261 18.5 26.243 1 10.7 ? CG2 ILE A 9 1 ATOM 75 C CD1 . ILE A 1 9 . 27.586 17.597 25.207 1 13.23 ? CD1 ILE A 9 1 ATOM 80 C CB . ILE A 1 10 . 31.586 13.023 28.847 1 10.28 ? CB ILE A 10 1 ATOM 81 C CG1 . ILE A 1 10 . 30.304 12.393 29.382 1 10.51 ? CG1 ILE A 10 1 ATOM 82 C CG2 . ILE A 1 10 . 32.349 13.756 29.963 1 10.1 ? CG2 ILE A 10 1 ATOM 83 C CD1 . ILE A 1 10 . 30.578 11.242 30.325 1 12.18 ? CD1 ILE A 10 1 ATOM 88 C CB . ARG A 1 11 . 28.563 11.316 25.184 1 8.07 ? CB ARG A 11 1 ATOM 89 C CG . ARG A 1 11 . 27.912 10.616 23.998 1 12.26 ? CG ARG A 11 1 ATOM 90 C CD . ARG A 1 11 . 27.234 9.34 24.394 1 13.46 ? CD ARG A 11 1 ATOM 91 N NE . ARG A 1 11 . 28.157 8.304 24.847 1 15.44 ? NE ARG A 11 1 ATOM 92 C CZ . ARG A 1 11 . 28.815 7.47 24.037 1 19.59 ? CZ ARG A 11 1 ATOM 93 N NH1 . ARG A 1 11 . 28.677 7.559 22.714 1 19.4 ? NH1 ARG A 11 1 ATOM 94 N NH2 . ARG A 1 11 . 29.521 6.467 24.547 1 17.5 ? NH2 ARG A 11 1 ATOM 99 C CB . SER A 1 12 . 26.966 15.676 21.925 1 9.02 ? CB SER A 12 1 ATOM 100 O OG . SER A 1 12 . 25.863 16.285 21.273 1 11.97 ? OG SER A 12 1 ATOM 105 C CB . GLU A 1 13 . 24.185 10.833 20.184 1 9.72 ? CB GLU A 13 1 ATOM 106 C CG . GLU A 1 13 . 25.257 10.018 20.895 1 15.17 ? CG GLU A 13 1 ATOM 107 C CD . GLU A 1 13 . 26.262 9.34 19.954 1 18.75 ? CD GLU A 13 1 ATOM 108 O OE1 . GLU A 1 13 . 26.031 9.31 18.726 1 18.53 ? OE1 GLU A 13 1 ATOM 109 O OE2 . GLU A 1 13 . 27.286 8.822 20.457 1 19.23 ? OE2 GLU A 13 1 ATOM 114 C CB . ASN A 1 14 . 20.989 12.522 17.383 1 7.23 ? CB ASN A 14 1 ATOM 115 C CG . ASN A 1 14 . 20.358 11.833 16.172 1 9.38 ? CG ASN A 14 1 ATOM 116 O OD1 . ASN A 1 14 . 20.996 11.67 15.128 1 10.37 ? OD1 ASN A 14 1 ATOM 117 N ND2 . ASN A 1 14 . 19.106 11.436 16.31 1 6.35 ? ND2 ASN A 14 1 ATOM 122 C CB . PHE A 1 15 . 23.497 17.99 18.379 1 10.05 ? CB PHE A 15 1 ATOM 123 C CG . PHE A 1 15 . 23.102 19.397 18.746 1 10.57 ? CG PHE A 15 1 ATOM 124 C CD1 . PHE A 1 15 . 22.032 19.633 19.605 1 13.39 ? CD1 PHE A 15 1 ATOM 125 C CD2 . PHE A 1 15 . 23.813 20.485 18.254 1 11.47 ? CD2 PHE A 15 1 ATOM 126 C CE1 . PHE A 1 15 . 21.678 20.929 19.968 1 13.52 ? CE1 PHE A 15 1 ATOM 127 C CE2 . PHE A 1 15 . 23.467 21.784 18.609 1 11.6 ? CE2 PHE A 15 1 ATOM 128 C CZ . PHE A 1 15 . 22.399 22.006 19.469 1 13.52 ? CZ PHE A 15 1 ATOM 133 C CB . GLU A 1 16 . 23.711 18.081 13.06 1 15.91 ? CB GLU A 16 1 ATOM 134 C CG . GLU A 1 16 . 23.274 18.337 11.626 1 21.31 ? CG GLU A 16 1 ATOM 135 C CD . GLU A 1 16 . 24.376 18.878 10.757 1 25.39 ? CD GLU A 16 1 ATOM 136 O OE1 . GLU A 1 16 . 25.526 18.984 11.24 1 27.92 ? OE1 GLU A 16 1 ATOM 137 O OE2 . GLU A 1 16 . 24.084 19.213 9.588 1 28.6 ? OE2 GLU A 16 1 ATOM 142 C CB . GLU A 1 17 . 19.811 14.361 13.325 1 17.06 ? CB GLU A 17 1 ATOM 143 C CG . GLU A 1 17 . 20.806 13.602 12.43 1 23.45 ? CG GLU A 17 1 ATOM 144 C CD . GLU A 1 17 . 22.279 13.624 12.909 1 27.8 ? CD GLU A 17 1 ATOM 145 O OE1 . GLU A 1 17 . 22.637 14.338 13.881 1 26.52 ? OE1 GLU A 17 1 ATOM 146 O OE2 . GLU A 1 17 . 23.097 12.897 12.291 1 31.8 ? OE2 GLU A 17 1 ATOM 151 C CB . LEU A 1 18 . 17.931 17.644 17.253 1 9.77 ? CB LEU A 18 1 ATOM 152 C CG . LEU A 1 18 . 16.921 18.358 18.163 1 11.36 ? CG LEU A 18 1 ATOM 153 C CD1 . LEU A 1 18 . 15.817 17.402 18.554 1 13.85 ? CD1 LEU A 18 1 ATOM 154 C CD2 . LEU A 1 18 . 17.616 18.876 19.409 1 12.69 ? CD2 LEU A 18 1 ATOM 159 C CB . LEU A 1 19 . 19.631 21.616 14.263 1 12.01 ? CB LEU A 19 1 ATOM 160 C CG . LEU A 1 19 . 20.282 21.963 15.614 1 10.42 ? CG LEU A 19 1 ATOM 161 C CD1 . LEU A 1 19 . 21.56 22.763 15.369 1 13.01 ? CD1 LEU A 19 1 ATOM 162 C CD2 . LEU A 1 19 . 19.312 22.742 16.513 1 11.45 ? CD2 LEU A 19 1 ATOM 167 C CB . LYS A 1 20 . 18.048 18.39 10.157 1 20.07 ? CB LYS A 20 1 ATOM 168 C CG . LYS A 1 20 . 18.592 18.643 8.765 1 26.61 ? CG LYS A 20 1 ATOM 169 C CD . LYS A 1 20 . 18.96 17.349 8.027 1 30.95 ? CD LYS A 20 1 ATOM 170 C CE . LYS A 1 20 . 20.226 16.69 8.579 1 35.68 ? CE LYS A 20 1 ATOM 171 N NZ . LYS A 1 20 . 21.485 17.466 8.342 1 39.27 ? NZ LYS A 20 1 ATOM 176 C CB . VAL A 1 21 . 13.674 17.422 12.998 1 14.93 ? CB VAL A 21 1 ATOM 177 C CG1 . VAL A 1 21 . 12.194 17.383 13.364 1 17.29 ? CG1 VAL A 21 1 ATOM 178 C CG2 . VAL A 1 21 . 14.115 16.082 12.482 1 15.09 ? CG2 VAL A 21 1 ATOM 183 C CB . LEU A 1 22 . 14.18 22.44 14.818 1 13.61 ? CB LEU A 22 1 ATOM 184 C CG . LEU A 1 22 . 13.986 21.565 16.069 1 13.97 ? CG LEU A 22 1 ATOM 185 C CD1 . LEU A 1 22 . 14.852 22.047 17.225 1 13.25 ? CD1 LEU A 22 1 ATOM 186 C CD2 . LEU A 1 22 . 12.525 21.58 16.467 1 14.62 ? CD2 LEU A 22 1 ATOM 195 C CB . VAL A 1 24 . 18.297 25.081 12.139 1 12.19 ? CB VAL A 24 1 ATOM 196 C CG1 . VAL A 1 24 . 19.465 26.054 12.109 1 8.69 ? CG1 VAL A 24 1 ATOM 197 C CG2 . VAL A 1 24 . 17.416 25.294 13.388 1 11.37 ? CG2 VAL A 24 1 ATOM 202 C CB . ASN A 1 25 . 19.23 27.172 6.742 1 19.41 ? CB ASN A 25 1 ATOM 203 C CG . ASN A 1 25 . 20.09 28.351 7.2 1 22.35 ? CG ASN A 25 1 ATOM 204 O OD1 . ASN A 1 25 . 21.207 28.189 7.698 1 22.64 ? OD1 ASN A 25 1 ATOM 205 N ND2 . ASN A 1 25 . 19.602 29.558 6.933 1 24.15 ? ND2 ASN A 25 1 ATOM 210 C CB . VAL A 1 26 . 23.223 24.088 5.32 1 20.77 ? CB VAL A 26 1 ATOM 211 C CG1 . VAL A 1 26 . 24.624 23.523 5.378 1 22.39 ? CG1 VAL A 26 1 ATOM 212 C CG2 . VAL A 1 26 . 22.276 23.084 4.698 1 21.28 ? CG2 VAL A 26 1 ATOM 217 C CB . MET A 1 27 . 25.104 28.736 6.83 1 23.31 ? CB MET A 27 1 ATOM 218 C CG . MET A 1 27 . 25.955 28.602 5.552 1 29.99 ? CG MET A 27 1 ATOM 219 S SD . MET A 1 27 . 24.975 28.527 4.01 1 37.48 ? SD MET A 27 1 ATOM 220 C CE . MET A 1 27 . 26.198 29.15 2.776 1 35.24 ? CE MET A 27 1 ATOM 225 C CB . LEU A 1 28 . 21.739 28.679 11.111 1 15.94 ? CB LEU A 28 1 ATOM 226 C CG . LEU A 1 28 . 21.49 30.154 10.741 1 16.72 ? CG LEU A 28 1 ATOM 227 C CD1 . LEU A 1 28 . 20.008 30.496 10.78 1 14.38 ? CD1 LEU A 28 1 ATOM 228 C CD2 . LEU A 1 28 . 22.302 31.074 11.665 1 12.81 ? CD2 LEU A 28 1 ATOM 233 C CB . ARG A 1 29 . 23.03 23.334 10.969 1 18.63 ? CB ARG A 29 1 ATOM 234 C CG . ARG A 1 29 . 21.596 22.983 11.189 1 21.26 ? CG ARG A 29 1 ATOM 235 C CD . ARG A 1 29 . 21.339 21.572 10.739 1 24.71 ? CD ARG A 29 1 ATOM 236 N NE . ARG A 1 29 . 20.571 21.564 9.513 1 29.88 ? NE ARG A 29 1 ATOM 237 C CZ . ARG A 1 29 . 21.019 21.147 8.34 1 29.19 ? CZ ARG A 29 1 ATOM 238 N NH1 . ARG A 1 29 . 22.248 20.682 8.205 1 30.52 ? NH1 ARG A 29 1 ATOM 239 N NH2 . ARG A 1 29 . 20.232 21.233 7.295 1 31.61 ? NH2 ARG A 29 1 ATOM 244 C CB . LYS A 1 30 . 27.894 25.143 9.915 1 25.07 ? CB LYS A 30 1 ATOM 245 C CG . LYS A 1 30 . 29.404 25.031 9.905 1 30.48 ? CG LYS A 30 1 ATOM 246 C CD . LYS A 1 30 . 30.013 25.631 8.639 1 35.43 ? CD LYS A 30 1 ATOM 247 C CE . LYS A 1 30 . 31.533 25.759 8.778 1 37.96 ? CE LYS A 30 1 ATOM 248 N NZ . LYS A 1 30 . 32.18 26.388 7.584 1 41.61 ? NZ LYS A 30 1 ATOM 253 C CB . ILE A 1 31 . 26.881 28.92 13.471 1 16.63 ? CB ILE A 31 1 ATOM 254 C CG1 . ILE A 1 31 . 27.419 29.606 12.208 1 18.74 ? CG1 ILE A 31 1 ATOM 255 C CG2 . ILE A 1 31 . 27.071 29.791 14.713 1 15.71 ? CG2 ILE A 31 1 ATOM 256 C CD1 . ILE A 1 31 . 26.735 30.946 11.858 1 17.27 ? CD1 ILE A 31 1 ATOM 261 C CB . ALA A 1 32 . 23.79 25.638 16.04 1 12.45 ? CB ALA A 32 1 ATOM 266 C CB . VAL A 1 33 . 27.016 21.504 15.044 1 13.56 ? CB VAL A 33 1 ATOM 267 C CG1 . VAL A 1 33 . 27.909 20.318 15.375 1 16.07 ? CG1 VAL A 33 1 ATOM 268 C CG2 . VAL A 1 33 . 25.621 21.006 14.684 1 14.96 ? CG2 VAL A 33 1 ATOM 273 C CB . ALA A 1 34 . 31.191 24.844 15.833 1 16.1 ? CB ALA A 34 1 ATOM 278 C CB . ALA A 1 35 . 28.517 27.387 19.552 1 12.14 ? CB ALA A 35 1 ATOM 283 C CB . ALA A 1 36 . 25.952 22.883 20.744 1 11.79 ? CB ALA A 36 1 ATOM 288 C CB . SER A 1 37 . 31.145 20.689 20.388 1 16.93 ? CB SER A 37 1 ATOM 289 O OG . SER A 1 37 . 32.1 21.729 20.293 1 21.65 ? OG SER A 37 1 ATOM 294 C CB . LYS A 1 38 . 33.004 23.539 24.156 1 23.99 ? CB LYS A 38 1 ATOM 295 C CG . LYS A 1 38 . 32.907 24.607 23.046 1 30.97 ? CG LYS A 38 1 ATOM 296 C CD . LYS A 1 38 . 34.25 25.32 22.792 1 36.44 ? CD LYS A 38 1 ATOM 297 C CE . LYS A 1 38 . 34.266 26.098 21.456 1 38.7 ? CE LYS A 38 1 ATOM 298 N NZ . LYS A 1 38 . 33.193 27.131 21.321 1 39.37 ? NZ LYS A 38 1 ATOM 303 C CB . PRO A 1 39 . 27.469 23.56 26.649 1 9.34 ? CB PRO A 39 1 ATOM 304 C CG . PRO A 1 39 . 27.779 22.131 26.593 1 10.32 ? CG PRO A 39 1 ATOM 305 C CD . PRO A 1 39 . 29.009 22.02 25.703 1 10.86 ? CD PRO A 39 1 ATOM 310 C CB . ALA A 1 40 . 29.83 26.767 30.673 1 11.4 ? CB ALA A 40 1 ATOM 315 C CB . VAL A 1 41 . 25.594 22.772 31.987 1 10.67 ? CB VAL A 41 1 ATOM 316 C CG1 . VAL A 1 41 . 24.204 22.596 32.612 1 11.34 ? CG1 VAL A 41 1 ATOM 317 C CG2 . VAL A 1 41 . 25.507 22.583 30.475 1 11.31 ? CG2 VAL A 41 1 ATOM 322 C CB . GLU A 1 42 . 25.711 26.721 36.27 1 16.26 ? CB GLU A 42 1 ATOM 323 C CG . GLU A 1 42 . 25.495 26.947 37.768 1 23.78 ? CG GLU A 42 1 ATOM 324 C CD . GLU A 1 42 . 25.944 28.311 38.242 1 27.94 ? CD GLU A 42 1 ATOM 325 O OE1 . GLU A 1 42 . 25.308 29.329 37.872 1 29.92 ? OE1 GLU A 42 1 ATOM 326 O OE2 . GLU A 1 42 . 26.935 28.351 39.002 1 32.64 ? OE2 GLU A 42 1 ATOM 331 C CB . ILE A 1 43 . 21.996 22.374 37.552 1 10.47 ? CB ILE A 43 1 ATOM 332 C CG1 . ILE A 1 43 . 21.974 22.072 36.056 1 10.46 ? CG1 ILE A 43 1 ATOM 333 C CG2 . ILE A 1 43 . 20.636 22.031 38.186 1 10.34 ? CG2 ILE A 43 1 ATOM 334 C CD1 . ILE A 1 43 . 21.607 20.639 35.726 1 9 ? CD1 ILE A 43 1 ATOM 339 C CB . LYS A 1 44 . 21.22 26.545 41.503 1 16.58 ? CB LYS A 44 1 ATOM 340 C CG . LYS A 1 44 . 22.58 27.15 41.17 1 22.9 ? CG LYS A 44 1 ATOM 341 C CD . LYS A 1 44 . 22.571 28.654 41.385 1 29.01 ? CD LYS A 44 1 ATOM 342 C CE . LYS A 1 44 . 23.89 29.293 40.982 1 31.56 ? CE LYS A 44 1 ATOM 343 N NZ . LYS A 1 44 . 23.818 30.781 41.111 1 34.7 ? NZ LYS A 44 1 ATOM 348 C CB . GLN A 1 45 . 18.397 21.498 42.544 1 15.51 ? CB GLN A 45 1 ATOM 349 C CG . GLN A 1 45 . 17.168 20.744 43.015 1 13.62 ? CG GLN A 45 1 ATOM 350 C CD . GLN A 1 45 . 17.312 19.256 42.838 1 15.68 ? CD GLN A 45 1 ATOM 351 O OE1 . GLN A 1 45 . 18.348 18.769 42.397 1 18.84 ? OE1 GLN A 45 1 ATOM 352 N NE2 . GLN A 1 45 . 16.276 18.521 43.177 1 16.73 ? NE2 GLN A 45 1 ATOM 357 C CB . GLU A 1 46 . 16.239 25.194 46.408 1 26.45 ? CB GLU A 46 1 ATOM 358 C CG . GLU A 1 46 . 17.284 25.787 47.361 1 37.46 ? CG GLU A 46 1 ATOM 359 C CD . GLU A 1 46 . 17.093 25.374 48.832 1 42.24 ? CD GLU A 46 1 ATOM 360 O OE1 . GLU A 1 46 . 16.192 25.944 49.501 1 44.05 ? OE1 GLU A 46 1 ATOM 361 O OE2 . GLU A 1 46 . 17.867 24.507 49.32 1 44.14 ? OE2 GLU A 46 1 ATOM 370 C CB . ASP A 1 48 . 10.136 20.694 43.513 1 19 ? CB ASP A 48 1 ATOM 371 C CG . ASP A 1 48 . 9.943 19.221 43.897 1 21.49 ? CG ASP A 48 1 ATOM 372 O OD1 . ASP A 1 48 . 10.901 18.406 43.84 1 23.51 ? OD1 ASP A 48 1 ATOM 373 O OD2 . ASP A 1 48 . 8.802 18.868 44.243 1 25.04 ? OD2 ASP A 48 1 ATOM 378 C CB . THR A 1 49 . 12.847 25.741 43.316 1 16.1 ? CB THR A 49 1 ATOM 379 O OG1 . THR A 1 49 . 11.556 25.815 43.941 1 17.94 ? OG1 THR A 49 1 ATOM 380 C CG2 . THR A 1 49 . 13.1 27.037 42.571 1 16.15 ? CG2 THR A 49 1 ATOM 385 C CB . PHE A 1 50 . 15.338 23.591 38.547 1 10.78 ? CB PHE A 50 1 ATOM 386 C CG . PHE A 1 50 . 15.316 22.192 39.107 1 13.13 ? CG PHE A 50 1 ATOM 387 C CD1 . PHE A 1 50 . 14.146 21.653 39.634 1 11.97 ? CD1 PHE A 50 1 ATOM 388 C CD2 . PHE A 1 50 . 16.464 21.401 39.079 1 14.34 ? CD2 PHE A 50 1 ATOM 389 C CE1 . PHE A 1 50 . 14.113 20.367 40.12 1 12.69 ? CE1 PHE A 50 1 ATOM 390 C CE2 . PHE A 1 50 . 16.439 20.098 39.569 1 14.64 ? CE2 PHE A 50 1 ATOM 391 C CZ . PHE A 1 50 . 15.258 19.582 40.092 1 13.15 ? CZ PHE A 50 1 ATOM 396 C CB . TYR A 1 51 . 18.436 28.284 38.79 1 12.57 ? CB TYR A 51 1 ATOM 397 C CG . TYR A 1 51 . 19.396 29.178 38.014 1 12.91 ? CG TYR A 51 1 ATOM 398 C CD1 . TYR A 1 51 . 18.939 30.302 37.327 1 15.83 ? CD1 TYR A 51 1 ATOM 399 C CD2 . TYR A 1 51 . 20.762 28.896 37.974 1 14.05 ? CD2 TYR A 51 1 ATOM 400 C CE1 . TYR A 1 51 . 19.822 31.126 36.621 1 16.52 ? CE1 TYR A 51 1 ATOM 401 C CE2 . TYR A 1 51 . 21.655 29.705 37.275 1 14.62 ? CE2 TYR A 51 1 ATOM 402 C CZ . TYR A 1 51 . 21.179 30.818 36.604 1 16.59 ? CZ TYR A 51 1 ATOM 403 O OH . TYR A 1 51 . 22.06 31.633 35.932 1 17.52 ? OH TYR A 51 1 ATOM 408 C CB . ILE A 1 52 . 18.807 24.859 34.026 1 8.96 ? CB ILE A 52 1 ATOM 409 C CG1 . ILE A 1 52 . 18.242 23.814 35.013 1 9.15 ? CG1 ILE A 52 1 ATOM 410 C CG2 . ILE A 1 52 . 19.792 24.189 33.07 1 10.39 ? CG2 ILE A 52 1 ATOM 411 C CD1 . ILE A 1 52 . 17.585 22.616 34.366 1 8.1 ? CD1 ILE A 52 1 ATOM 416 C CB . LYS A 1 53 . 22.909 29.12 33.611 1 10.6 ? CB LYS A 53 1 ATOM 417 C CG . LYS A 1 53 . 23.58 30.135 32.688 1 14.21 ? CG LYS A 53 1 ATOM 418 C CD . LYS A 1 53 . 24.496 31.006 33.505 1 20.27 ? CD LYS A 53 1 ATOM 419 C CE . LYS A 1 53 . 24.831 32.319 32.828 1 26.91 ? CE LYS A 53 1 ATOM 420 N NZ . LYS A 1 53 . 25.878 33.009 33.659 1 29.12 ? NZ LYS A 53 1 ATOM 425 C CB . THR A 1 54 . 22.621 25.817 28.789 1 8.33 ? CB THR A 54 1 ATOM 426 O OG1 . THR A 1 54 . 21.896 24.946 29.66 1 9.95 ? OG1 THR A 54 1 ATOM 427 C CG2 . THR A 1 54 . 23.505 24.976 27.873 1 4.95 ? CG2 THR A 54 1 ATOM 432 C CB . SER A 1 55 . 26.934 29.694 29.082 1 13.09 ? CB SER A 55 1 ATOM 433 O OG . SER A 1 55 . 27.781 30.646 28.473 1 23.11 ? OG SER A 55 1 ATOM 438 C CB . THR A 1 56 . 27.296 28.024 23.534 1 6.7 ? CB THR A 56 1 ATOM 439 O OG1 . THR A 1 56 . 26.294 28.829 22.909 1 9.76 ? OG1 THR A 56 1 ATOM 440 C CG2 . THR A 1 56 . 26.653 26.751 24.049 1 7.76 ? CG2 THR A 56 1 ATOM 445 C CB . THR A 1 57 . 31.091 31.205 21.716 1 9.12 ? CB THR A 57 1 ATOM 446 O OG1 . THR A 1 57 . 30.758 30.171 20.786 1 9.41 ? OG1 THR A 57 1 ATOM 447 C CG2 . THR A 1 57 . 32.297 30.775 22.516 1 11.48 ? CG2 THR A 57 1 ATOM 452 C CB . VAL A 1 58 . 26.602 31.287 19.155 1 9.96 ? CB VAL A 58 1 ATOM 453 C CG1 . VAL A 1 58 . 27.976 31.161 18.454 1 11.08 ? CG1 VAL A 58 1 ATOM 454 C CG2 . VAL A 1 58 . 26.01 29.89 19.404 1 9.41 ? CG2 VAL A 58 1 ATOM 459 C CB . ARG A 1 59 . 22.837 30.751 22.074 1 13.11 ? CB ARG A 59 1 ATOM 460 C CG . ARG A 1 59 . 21.417 30.569 22.623 1 16.8 ? CG ARG A 59 1 ATOM 461 C CD . ARG A 1 59 . 20.521 29.961 21.535 1 18.74 ? CD ARG A 59 1 ATOM 462 N NE . ARG A 1 59 . 19.25 29.44 22.032 1 20.63 ? NE ARG A 59 1 ATOM 463 C CZ . ARG A 1 59 . 18.147 30.165 22.193 1 22.94 ? CZ ARG A 59 1 ATOM 464 N NH1 . ARG A 1 59 . 18.138 31.462 21.894 1 22.55 ? NH1 ARG A 59 1 ATOM 465 N NH2 . ARG A 1 59 . 17.051 29.594 22.686 1 23.68 ? NH2 ARG A 59 1 ATOM 470 C CB . THR A 1 60 . 23.916 32.451 27.519 1 10.13 ? CB THR A 60 1 ATOM 471 O OG1 . THR A 1 60 . 25.32 32.302 27.276 1 10.55 ? OG1 THR A 60 1 ATOM 472 C CG2 . THR A 1 60 . 23.632 32.181 29.003 1 11.01 ? CG2 THR A 60 1 ATOM 477 C CB . THR A 1 61 . 18.965 29.229 27.539 1 12.65 ? CB THR A 61 1 ATOM 478 O OG1 . THR A 1 61 . 19.563 27.976 27.874 1 14.13 ? OG1 THR A 61 1 ATOM 479 C CG2 . THR A 1 61 . 18.889 29.336 26.012 1 14.15 ? CG2 THR A 61 1 ATOM 484 C CB . GLU A 1 62 . 19.151 31.99 32.538 1 16.15 ? CB GLU A 62 1 ATOM 485 C CG . GLU A 1 62 . 20.585 32.344 32.326 1 23.65 ? CG GLU A 62 1 ATOM 486 C CD . GLU A 1 62 . 20.961 33.649 32.979 1 29.9 ? CD GLU A 62 1 ATOM 487 O OE1 . GLU A 1 62 . 20.969 33.703 34.229 1 31.84 ? OE1 GLU A 62 1 ATOM 488 O OE2 . GLU A 1 62 . 21.258 34.616 32.236 1 33.89 ? OE2 GLU A 62 1 ATOM 493 C CB . ILE A 1 63 . 14.976 27.816 32.125 1 11.28 ? CB ILE A 63 1 ATOM 494 C CG1 . ILE A 1 63 . 15.717 26.519 32.431 1 10.6 ? CG1 ILE A 63 1 ATOM 495 C CG2 . ILE A 1 63 . 15.02 28.129 30.638 1 11.62 ? CG2 ILE A 63 1 ATOM 496 C CD1 . ILE A 1 63 . 15.126 25.293 31.72 1 13.4 ? CD1 ILE A 63 1 ATOM 501 C CB . ASN A 1 64 . 13.732 30.45 37.054 1 16.87 ? CB ASN A 64 1 ATOM 502 C CG . ASN A 1 64 . 15.079 31.089 37.279 1 20.91 ? CG ASN A 64 1 ATOM 503 O OD1 . ASN A 1 64 . 15.775 30.764 38.238 1 22.91 ? OD1 ASN A 64 1 ATOM 504 N ND2 . ASN A 1 64 . 15.459 32.007 36.393 1 22.2 ? ND2 ASN A 64 1 ATOM 509 C CB . PHE A 1 65 . 10.829 25.731 35.922 1 11.31 ? CB PHE A 65 1 ATOM 510 C CG . PHE A 1 65 . 11.794 24.586 35.825 1 12.32 ? CG PHE A 65 1 ATOM 511 C CD1 . PHE A 1 65 . 11.549 23.386 36.494 1 10.31 ? CD1 PHE A 65 1 ATOM 512 C CD2 . PHE A 1 65 . 12.947 24.706 35.07 1 11.23 ? CD2 PHE A 65 1 ATOM 513 C CE1 . PHE A 1 65 . 12.441 22.329 36.413 1 11 ? CE1 PHE A 65 1 ATOM 514 C CE2 . PHE A 1 65 . 13.847 23.645 34.984 1 11.69 ? CE2 PHE A 65 1 ATOM 515 C CZ . PHE A 1 65 . 13.593 22.461 35.655 1 12.2 ? CZ PHE A 65 1 ATOM 520 C CB . LYS A 1 66 . 8.313 25.498 40.8 1 16.68 ? CB LYS A 66 1 ATOM 521 C CG . LYS A 1 66 . 7.722 24.639 41.907 1 24.6 ? CG LYS A 66 1 ATOM 522 C CD . LYS A 1 66 . 7.391 25.453 43.165 1 28.53 ? CD LYS A 66 1 ATOM 523 C CE . LYS A 1 66 . 6.664 24.585 44.213 1 32.17 ? CE LYS A 66 1 ATOM 524 N NZ . LYS A 1 66 . 7.393 23.332 44.604 1 32.54 ? NZ LYS A 66 1 ATOM 529 C CB . VAL A 1 67 . 8.908 19.827 39.541 1 10.09 ? CB VAL A 67 1 ATOM 530 C CG1 . VAL A 1 67 . 8.271 18.617 38.883 1 10.96 ? CG1 VAL A 67 1 ATOM 531 C CG2 . VAL A 1 67 . 10.41 19.808 39.32 1 10.21 ? CG2 VAL A 67 1 ATOM 540 C CB . GLU A 1 69 . 4.578 25.642 38.668 1 12.2 ? CB GLU A 69 1 ATOM 541 C CG . GLU A 1 69 . 3.857 25.282 39.964 1 17.44 ? CG GLU A 69 1 ATOM 542 C CD . GLU A 1 69 . 4.116 26.211 41.138 1 21.02 ? CD GLU A 69 1 ATOM 543 O OE1 . GLU A 1 69 . 4.496 27.384 40.945 1 21.43 ? OE1 GLU A 69 1 ATOM 544 O OE2 . GLU A 1 69 . 3.902 25.753 42.282 1 23.44 ? OE2 GLU A 69 1 ATOM 549 C CB . GLU A 1 70 . 2.606 26.359 33.32 1 19.99 ? CB GLU A 70 1 ATOM 550 C CG . GLU A 1 70 . 2.814 26.634 31.851 1 28.23 ? CG GLU A 70 1 ATOM 551 C CD . GLU A 1 70 . 1.518 26.678 31.097 1 32.73 ? CD GLU A 70 1 ATOM 552 O OE1 . GLU A 1 70 . 0.975 25.589 30.789 1 35.76 ? OE1 GLU A 70 1 ATOM 553 O OE2 . GLU A 1 70 . 1.045 27.802 30.823 1 35.75 ? OE2 GLU A 70 1 ATOM 558 C CB . PHE A 1 71 . 7.975 28.243 33.589 1 10.02 ? CB PHE A 71 1 ATOM 559 C CG . PHE A 1 71 . 8.851 27.148 33.033 1 10.48 ? CG PHE A 71 1 ATOM 560 C CD1 . PHE A 1 71 . 8.549 25.815 33.256 1 9.95 ? CD1 PHE A 71 1 ATOM 561 C CD2 . PHE A 1 71 . 10.006 27.459 32.331 1 9.29 ? CD2 PHE A 71 1 ATOM 562 C CE1 . PHE A 1 71 . 9.38 24.811 32.793 1 9.74 ? CE1 PHE A 71 1 ATOM 563 C CE2 . PHE A 1 71 . 10.832 26.464 31.868 1 9.51 ? CE2 PHE A 71 1 ATOM 564 C CZ . PHE A 1 71 . 10.518 25.136 32.102 1 8.47 ? CZ PHE A 71 1 ATOM 569 C CB . GLU A 1 72 . 7.248 31.448 29.379 1 22.03 ? CB GLU A 72 1 ATOM 570 C CG . GLU A 1 72 . 6.7 31.658 28.002 1 30.8 ? CG GLU A 72 1 ATOM 571 C CD . GLU A 1 72 . 6.157 33.06 27.827 1 34.75 ? CD GLU A 72 1 ATOM 572 O OE1 . GLU A 1 72 . 5.014 33.309 28.276 1 35.88 ? OE1 GLU A 72 1 ATOM 573 O OE2 . GLU A 1 72 . 6.885 33.912 27.255 1 38.91 ? OE2 GLU A 72 1 ATOM 578 C CB . GLU A 1 73 . 11.78 28.032 28.379 1 12.63 ? CB GLU A 73 1 ATOM 579 C CG . GLU A 1 73 . 11.145 26.706 27.986 1 10.55 ? CG GLU A 73 1 ATOM 580 C CD . GLU A 1 73 . 11.997 25.499 28.366 1 8.94 ? CD GLU A 73 1 ATOM 581 O OE1 . GLU A 1 73 . 13.191 25.65 28.642 1 12.29 ? OE1 GLU A 73 1 ATOM 582 O OE2 . GLU A 1 73 . 11.485 24.374 28.363 1 10.37 ? OE2 GLU A 73 1 ATOM 587 C CB . GLN A 1 74 . 13.218 29.685 23.706 1 15.91 ? CB GLN A 74 1 ATOM 588 C CG . GLN A 1 74 . 12.803 31.133 23.779 1 19.68 ? CG GLN A 74 1 ATOM 589 C CD . GLN A 1 74 . 13.827 32.066 23.159 1 21 ? CD GLN A 74 1 ATOM 590 O OE1 . GLN A 1 74 . 15.01 31.73 23.024 1 22.37 ? OE1 GLN A 74 1 ATOM 591 N NE2 . GLN A 1 74 . 13.373 33.247 22.774 1 24.07 ? NE2 GLN A 74 1 ATOM 596 C CB . THR A 1 75 . 11.895 25.325 20.757 1 11.93 ? CB THR A 75 1 ATOM 597 O OG1 . THR A 1 75 . 12.123 26.366 19.795 1 13.31 ? OG1 THR A 75 1 ATOM 598 C CG2 . THR A 1 75 . 10.396 25.202 21.042 1 13.29 ? CG2 THR A 75 1 ATOM 603 C CB . VAL A 1 76 . 16.827 23.351 20.68 1 15.44 ? CB VAL A 76 1 ATOM 604 C CG1 . VAL A 1 76 . 18.332 23.314 20.844 1 17.74 ? CG1 VAL A 76 1 ATOM 605 C CG2 . VAL A 1 76 . 16.218 22.293 21.548 1 19.99 ? CG2 VAL A 76 1 ATOM 610 C CB . ASP A 1 77 . 15.301 26.158 16.503 1 15.63 ? CB ASP A 77 1 ATOM 611 C CG . ASP A 1 77 . 13.79 26.007 16.585 1 15.92 ? CG ASP A 77 1 ATOM 612 O OD1 . ASP A 1 77 . 13.26 25.47 17.586 1 14.64 ? OD1 ASP A 77 1 ATOM 613 O OD2 . ASP A 1 77 . 13.123 26.409 15.613 1 17.79 ? OD2 ASP A 77 1 ATOM 622 C CB . ARG A 1 79 . 10.112 28.961 18.604 1 20.74 ? CB ARG A 79 1 ATOM 623 C CG . ARG A 1 79 . 10.667 28.997 17.194 1 25.89 ? CG ARG A 79 1 ATOM 624 C CD . ARG A 1 79 . 9.986 27.976 16.31 1 29.77 ? CD ARG A 79 1 ATOM 625 N NE . ARG A 1 79 . 10.144 26.626 16.842 1 34.52 ? NE ARG A 79 1 ATOM 626 C CZ . ARG A 1 79 . 10.128 25.516 16.109 1 35.9 ? CZ ARG A 79 1 ATOM 627 N NH1 . ARG A 1 79 . 9.971 25.58 14.789 1 37.7 ? NH1 ARG A 79 1 ATOM 628 N NH2 . ARG A 1 79 . 10.266 24.337 16.702 1 35.58 ? NH2 ARG A 79 1 ATOM 633 C CB . PRO A 1 80 . 8.1 32.22 22.628 1 15.48 ? CB PRO A 80 1 ATOM 634 C CG . PRO A 1 80 . 9.01 33.057 21.846 1 18.18 ? CG PRO A 80 1 ATOM 635 C CD . PRO A 1 80 . 9.418 32.145 20.696 1 17.08 ? CD PRO A 80 1 ATOM 640 C CB . CYS A 1 81 . 7.563 26.705 23.95 1 11.59 ? CB CYS A 81 1 ATOM 641 S SG . CYS A 1 81 . 9.063 26.255 24.894 1 12.86 ? SG CYS A 81 1 ATOM 646 C CB . LYS A 1 82 . 3.473 27.299 27.589 1 18.36 ? CB LYS A 82 1 ATOM 647 C CG . LYS A 1 82 . 2.94 28.716 27.584 1 26.02 ? CG LYS A 82 1 ATOM 648 C CD . LYS A 1 82 . 3.353 29.506 28.826 1 31.13 ? CD LYS A 82 1 ATOM 649 C CE . LYS A 1 82 . 2.686 30.894 28.832 1 35.39 ? CE LYS A 82 1 ATOM 650 N NZ . LYS A 1 82 . 2.868 31.652 30.12 1 37.63 ? NZ LYS A 82 1 ATOM 655 C CB . SER A 1 83 . 8.149 24.418 29.446 1 10.3 ? CB SER A 83 1 ATOM 656 O OG . SER A 1 83 . 8.686 24.518 28.132 1 11.5 ? OG SER A 83 1 ATOM 661 C CB . LEU A 1 84 . 4.091 21.576 32.067 1 13.44 ? CB LEU A 84 1 ATOM 662 C CG . LEU A 1 84 . 3.552 20.784 33.27 1 15.74 ? CG LEU A 84 1 ATOM 663 C CD1 . LEU A 1 84 . 3.515 21.683 34.484 1 16.96 ? CD1 LEU A 84 1 ATOM 664 C CD2 . LEU A 1 84 . 2.178 20.231 32.982 1 18.76 ? CD2 LEU A 84 1 ATOM 669 C CB . VAL A 1 85 . 9.384 20.291 34.598 1 8.89 ? CB VAL A 85 1 ATOM 670 C CG1 . VAL A 1 85 . 10.327 19.14 34.97 1 8.2 ? CG1 VAL A 85 1 ATOM 671 C CG2 . VAL A 1 85 . 10.062 21.227 33.612 1 8.48 ? CG2 VAL A 85 1 ATOM 676 C CB . LYS A 1 86 . 5.7 15.911 35.385 1 12.4 ? CB LYS A 86 1 ATOM 677 C CG . LYS A 1 86 . 4.538 16.819 35.058 1 16.01 ? CG LYS A 86 1 ATOM 678 C CD . LYS A 1 86 . 3.333 16.017 34.559 1 21.36 ? CD LYS A 86 1 ATOM 679 C CE . LYS A 1 86 . 2.14 16.939 34.345 1 23.23 ? CE LYS A 86 1 ATOM 680 N NZ . LYS A 1 86 . 0.919 16.212 33.929 1 28.41 ? NZ LYS A 86 1 ATOM 685 C CB . TRP A 1 87 . 8.791 13.569 39.268 1 8.76 ? CB TRP A 87 1 ATOM 686 C CG . TRP A 1 87 . 9.494 14.641 40.062 1 8.86 ? CG TRP A 87 1 ATOM 687 C CD1 . TRP A 1 87 . 8.923 15.525 40.939 1 8.8 ? CD1 TRP A 87 1 ATOM 688 C CD2 . TRP A 1 87 . 10.889 14.99 39.992 1 9.42 ? CD2 TRP A 87 1 ATOM 689 N NE1 . TRP A 1 87 . 9.872 16.41 41.4 1 8.01 ? NE1 TRP A 87 1 ATOM 690 C CE2 . TRP A 1 87 . 11.086 16.103 40.835 1 10.85 ? CE2 TRP A 87 1 ATOM 691 C CE3 . TRP A 1 87 . 11.985 14.475 39.283 1 9.6 ? CE3 TRP A 87 1 ATOM 692 C CZ2 . TRP A 1 87 . 12.34 16.716 40.994 1 11.45 ? CZ2 TRP A 87 1 ATOM 693 C CZ3 . TRP A 1 87 . 13.23 15.084 39.438 1 10.72 ? CZ3 TRP A 87 1 ATOM 694 C CH2 . TRP A 1 87 . 13.395 16.192 40.289 1 11.78 ? CH2 TRP A 87 1 ATOM 699 C CB . GLU A 1 88 . 9.337 10.541 34.156 1 13.5 ? CB GLU A 88 1 ATOM 700 C CG . GLU A 1 88 . 8.917 9.261 33.454 1 18.67 ? CG GLU A 88 1 ATOM 701 C CD . GLU A 1 88 . 9.756 8.958 32.226 1 23.49 ? CD GLU A 88 1 ATOM 702 O OE1 . GLU A 1 88 . 9.581 9.65 31.205 1 26.53 ? OE1 GLU A 88 1 ATOM 703 O OE2 . GLU A 1 88 . 10.587 8.025 32.276 1 26.54 ? OE2 GLU A 88 1 ATOM 708 C CB . SER A 1 89 . 11.221 7.778 37.604 1 12.43 ? CB SER A 89 1 ATOM 709 O OG . SER A 1 89 . 12.396 8.215 36.947 1 14.39 ? OG SER A 89 1 ATOM 714 C CB . GLU A 1 90 . 12.858 8.846 42.348 1 11.92 ? CB GLU A 90 1 ATOM 715 C CG . GLU A 1 90 . 13.536 9.572 43.487 1 16.53 ? CG GLU A 90 1 ATOM 716 C CD . GLU A 1 90 . 13.912 8.671 44.644 1 19.8 ? CD GLU A 90 1 ATOM 717 O OE1 . GLU A 1 90 . 14.122 7.464 44.426 1 21.18 ? OE1 GLU A 90 1 ATOM 718 O OE2 . GLU A 1 90 . 14.012 9.187 45.774 1 22.91 ? OE2 GLU A 90 1 ATOM 723 C CB . ASN A 1 91 . 16.76 9.798 39.305 1 14.33 ? CB ASN A 91 1 ATOM 724 C CG . ASN A 1 91 . 17.064 9.307 40.693 1 17.71 ? CG ASN A 91 1 ATOM 725 O OD1 . ASN A 1 91 . 17.445 10.087 41.56 1 20.87 ? OD1 ASN A 91 1 ATOM 726 N ND2 . ASN A 1 91 . 16.855 8.016 40.928 1 19.39 ? ND2 ASN A 91 1 ATOM 731 C CB . LYS A 1 92 . 13.781 10.626 35.078 1 9.1 ? CB LYS A 92 1 ATOM 732 C CG . LYS A 1 92 . 13.566 10.996 33.618 1 11.95 ? CG LYS A 92 1 ATOM 733 C CD . LYS A 1 92 . 13.467 9.762 32.759 1 14.04 ? CD LYS A 92 1 ATOM 734 C CE . LYS A 1 92 . 13.333 10.124 31.299 1 16.33 ? CE LYS A 92 1 ATOM 735 N NZ . LYS A 1 92 . 13.129 8.884 30.506 1 17.37 ? NZ LYS A 92 1 ATOM 740 C CB . MET A 1 93 . 12.565 16.359 35.523 1 9.68 ? CB MET A 93 1 ATOM 741 C CG . MET A 1 93 . 13.826 16.925 34.937 1 13.16 ? CG MET A 93 1 ATOM 742 S SD . MET A 1 93 . 14.238 18.543 35.628 1 17.49 ? SD MET A 93 1 ATOM 743 C CE . MET A 1 93 . 15.009 18.106 37.076 1 18.53 ? CE MET A 93 1 ATOM 748 C CB . VAL A 1 94 . 9.371 14.164 31.315 1 11.05 ? CB VAL A 94 1 ATOM 749 C CG1 . VAL A 1 94 . 8.878 14.354 29.878 1 12.88 ? CG1 VAL A 94 1 ATOM 750 C CG2 . VAL A 1 94 . 10.147 12.866 31.42 1 14 ? CG2 VAL A 94 1 ATOM 755 C CB . CYS A 1 95 . 10.229 19.679 30.059 1 8.79 ? CB CYS A 95 1 ATOM 756 S SG . CYS A 1 95 . 9.62 21.322 29.69 1 10.97 ? SG CYS A 95 1 ATOM 761 C CB . GLU A 1 96 . 4.957 18.397 27.885 1 20.21 ? CB GLU A 96 1 ATOM 762 C CG . GLU A 1 96 . 3.981 18.432 26.726 1 32.46 ? CG GLU A 96 1 ATOM 763 C CD . GLU A 1 96 . 2.646 17.765 27.065 1 38.97 ? CD GLU A 96 1 ATOM 764 O OE1 . GLU A 1 96 . 2.053 18.108 28.128 1 42.61 ? OE1 GLU A 96 1 ATOM 765 O OE2 . GLU A 1 96 . 2.201 16.892 26.271 1 42.17 ? OE2 GLU A 96 1 ATOM 770 C CB . GLN A 1 97 . 7.823 22.465 24.747 1 12.2 ? CB GLN A 97 1 ATOM 771 C CG . GLN A 1 97 . 9.033 22.324 25.65 1 12.55 ? CG GLN A 97 1 ATOM 772 C CD . GLN A 1 97 . 10.321 22.613 24.927 1 14.2 ? CD GLN A 97 1 ATOM 773 O OE1 . GLN A 1 97 . 10.478 22.288 23.749 1 12.94 ? OE1 GLN A 97 1 ATOM 774 N NE2 . GLN A 1 97 . 11.26 23.235 25.627 1 14.75 ? NE2 GLN A 97 1 ATOM 779 C CB . LYS A 1 98 . 2.389 23.953 24.389 1 23.3 ? CB LYS A 98 1 ATOM 780 C CG . LYS A 1 98 . 1.294 24.857 23.867 1 30.94 ? CG LYS A 98 1 ATOM 781 C CD . LYS A 1 98 . 0.21 25.047 24.934 1 37.1 ? CD LYS A 98 1 ATOM 782 C CE . LYS A 1 98 . -0.849 26.072 24.52 1 39.73 ? CE LYS A 98 1 ATOM 783 N NZ . LYS A 1 98 . -0.326 27.476 24.541 1 42.46 ? NZ LYS A 98 1 ATOM 788 C CB . LEU A 1 99 . 4.466 26.542 19.526 1 22.09 ? CB LEU A 99 1 ATOM 789 C CG . LEU A 1 99 . 5.692 25.792 18.997 1 22.72 ? CG LEU A 99 1 ATOM 790 C CD1 . LEU A 1 99 . 5.585 25.639 17.49 1 23.04 ? CD1 LEU A 99 1 ATOM 791 C CD2 . LEU A 1 99 . 6.951 26.548 19.372 1 23.61 ? CD2 LEU A 99 1 ATOM 796 C CB . LEU A 1 100 . 3.68 31.227 22.64 1 25.5 ? CB LEU A 100 1 ATOM 797 C CG . LEU A 1 100 . 4.254 30.947 24.02 1 24.8 ? CG LEU A 100 1 ATOM 798 C CD1 . LEU A 1 100 . 4.96 32.171 24.542 1 26.59 ? CD1 LEU A 100 1 ATOM 799 C CD2 . LEU A 1 100 . 3.141 30.554 24.935 1 24.8 ? CD2 LEU A 100 1 ATOM 804 C CB . LYS A 1 101 . 2.653 32.429 18.147 1 40.57 ? CB LYS A 101 1 ATOM 805 C CG . LYS A 1 101 . 2.182 33.426 19.212 1 45.13 ? CG LYS A 101 1 ATOM 806 C CD . LYS A 1 101 . 2.955 34.741 19.125 1 48.57 ? CD LYS A 101 1 ATOM 807 C CE . LYS A 1 101 . 4.479 34.527 19.248 1 51.31 ? CE LYS A 101 1 ATOM 808 N NZ . LYS A 1 101 . 4.917 33.952 20.559 1 51.14 ? NZ LYS A 101 1 ATOM 817 C CB . GLU A 1 103 . 2.077 24.784 13.274 1 39.37 ? CB GLU A 103 1 ATOM 818 C CG . GLU A 1 103 . 0.652 24.422 13.712 1 45.52 ? CG GLU A 103 1 ATOM 819 C CD . GLU A 1 103 . -0.383 25.503 13.395 1 50.23 ? CD GLU A 103 1 ATOM 820 O OE1 . GLU A 1 103 . -0.13 26.346 12.499 1 53.12 ? OE1 GLU A 103 1 ATOM 821 O OE2 . GLU A 1 103 . -1.464 25.5 14.036 1 52.16 ? OE2 GLU A 103 1 ATOM 830 C CB . PRO A 1 105 . 8.828 19.348 15.202 1 18.86 ? CB PRO A 105 1 ATOM 831 C CG . PRO A 1 105 . 9.188 20.164 14.005 1 18.76 ? CG PRO A 105 1 ATOM 832 C CD . PRO A 1 105 . 8.423 21.44 14.199 1 18.4 ? CD PRO A 105 1 ATOM 837 C CB . LYS A 1 106 . 5.387 17.229 19.174 1 20.98 ? CB LYS A 106 1 ATOM 838 C CG . LYS A 1 106 . 5.015 17.097 20.662 1 27.98 ? CG LYS A 106 1 ATOM 839 C CD . LYS A 1 106 . 4.463 18.433 21.229 1 33.23 ? CD LYS A 106 1 ATOM 840 C CE . LYS A 1 106 . 4.25 18.417 22.764 1 35.21 ? CE LYS A 106 1 ATOM 841 N NZ . LYS A 1 106 . 5.519 18.251 23.566 1 33.75 ? NZ LYS A 106 1 ATOM 846 C CB . THR A 1 107 . 10.012 20.382 21.016 1 12.37 ? CB THR A 107 1 ATOM 847 O OG1 . THR A 1 107 . 9.263 21.48 21.547 1 12.36 ? OG1 THR A 107 1 ATOM 848 C CG2 . THR A 1 107 . 10.327 20.643 19.544 1 12.62 ? CG2 THR A 107 1 ATOM 853 C CB . SER A 1 108 . 9.37 16.729 25.024 1 9.84 ? CB SER A 108 1 ATOM 854 O OG . SER A 1 108 . 9.844 15.601 24.313 1 13.87 ? OG SER A 108 1 ATOM 859 C CB . TRP A 1 109 . 14.094 18.722 27.051 1 8.25 ? CB TRP A 109 1 ATOM 860 C CG . TRP A 1 109 . 13.627 19.829 28.007 1 8.07 ? CG TRP A 109 1 ATOM 861 C CD1 . TRP A 1 109 . 13.12 21.046 27.648 1 9.28 ? CD1 TRP A 109 1 ATOM 862 C CD2 . TRP A 1 109 . 13.745 19.865 29.45 1 9.31 ? CD2 TRP A 109 1 ATOM 863 N NE1 . TRP A 1 109 . 12.929 21.836 28.76 1 9.69 ? NE1 TRP A 109 1 ATOM 864 C CE2 . TRP A 1 109 . 13.306 21.136 29.878 1 9.04 ? CE2 TRP A 109 1 ATOM 865 C CE3 . TRP A 1 109 . 14.186 18.939 30.416 1 9.92 ? CE3 TRP A 109 1 ATOM 866 C CZ2 . TRP A 1 109 . 13.286 21.515 31.228 1 9.72 ? CZ2 TRP A 109 1 ATOM 867 C CZ3 . TRP A 1 109 . 14.163 19.316 31.758 1 10.25 ? CZ3 TRP A 109 1 ATOM 868 C CH2 . TRP A 1 109 . 13.717 20.593 32.149 1 10.11 ? CH2 TRP A 109 1 ATOM 873 C CB . THR A 1 110 . 13.887 13.633 29.626 1 7.17 ? CB THR A 110 1 ATOM 874 O OG1 . THR A 1 110 . 15 13.002 28.973 1 7.49 ? OG1 THR A 110 1 ATOM 875 C CG2 . THR A 1 110 . 12.616 13.377 28.803 1 6.64 ? CG2 THR A 110 1 ATOM 880 C CB . ARG A 1 111 . 17.24 16.722 33.068 1 6.2 ? CB ARG A 111 1 ATOM 881 C CG . ARG A 1 111 . 17.703 17.765 32.06 1 7.38 ? CG ARG A 111 1 ATOM 882 C CD . ARG A 1 111 . 18.1 19.072 32.727 1 8.7 ? CD ARG A 111 1 ATOM 883 N NE . ARG A 1 111 . 18.783 19.965 31.784 1 9.83 ? NE ARG A 111 1 ATOM 884 C CZ . ARG A 1 111 . 18.158 20.804 30.963 1 10.23 ? CZ ARG A 111 1 ATOM 885 N NH1 . ARG A 1 111 . 16.84 20.869 30.966 1 10.89 ? NH1 ARG A 111 1 ATOM 886 N NH2 . ARG A 1 111 . 18.847 21.59 30.144 1 11.56 ? NH2 ARG A 111 1 ATOM 891 C CB . GLU A 1 112 . 17.401 11.118 33.94 1 14.05 ? CB GLU A 112 1 ATOM 892 C CG . GLU A 1 112 . 18.213 10.489 32.836 1 20.37 ? CG GLU A 112 1 ATOM 893 C CD . GLU A 1 112 . 17.484 9.325 32.177 1 25.09 ? CD GLU A 112 1 ATOM 894 O OE1 . GLU A 1 112 . 17.223 8.308 32.883 1 22.36 ? OE1 GLU A 112 1 ATOM 895 O OE2 . GLU A 1 112 . 17.175 9.443 30.955 1 25.1 ? OE2 GLU A 112 1 ATOM 900 C CB . LEU A 1 113 . 20.575 11.983 38.532 1 14.38 ? CB LEU A 113 1 ATOM 901 C CG . LEU A 1 113 . 20.768 13.465 38.799 1 17.46 ? CG LEU A 113 1 ATOM 902 C CD1 . LEU A 1 113 . 20.709 13.656 40.298 1 19.61 ? CD1 LEU A 113 1 ATOM 903 C CD2 . LEU A 1 113 . 22.128 13.945 38.266 1 18.46 ? CD2 LEU A 113 1 ATOM 908 C CB . THR A 1 114 . 22.894 7.7 35.188 1 12.89 ? CB THR A 114 1 ATOM 909 O OG1 . THR A 1 114 . 24.109 8.451 35.164 1 15.5 ? OG1 THR A 114 1 ATOM 910 C CG2 . THR A 1 114 . 22.075 8.037 33.951 1 14.75 ? CG2 THR A 114 1 ATOM 915 C CB . ASN A 1 115 . 23.123 4.047 38.918 1 21.89 ? CB ASN A 115 1 ATOM 916 C CG . ASN A 1 115 . 21.703 3.754 39.357 1 29.77 ? CG ASN A 115 1 ATOM 917 O OD1 . ASN A 1 115 . 20.955 3.046 38.669 1 34.83 ? OD1 ASN A 115 1 ATOM 918 N ND2 . ASN A 1 115 . 21.313 4.31 40.516 1 32.9 ? ND2 ASN A 115 1 ATOM 923 C CB . ASP A 1 116 . 27.764 5.875 36.806 1 13.89 ? CB ASP A 116 1 ATOM 924 C CG . ASP A 1 116 . 27.177 6.474 35.512 1 16.58 ? CG ASP A 116 1 ATOM 925 O OD1 . ASP A 1 116 . 26.263 7.303 35.569 1 19.66 ? OD1 ASP A 116 1 ATOM 926 O OD2 . ASP A 1 116 . 27.651 6.113 34.422 1 20.14 ? OD2 ASP A 116 1 ATOM 935 C CB . GLU A 1 118 . 26.776 10.653 34.241 1 8.86 ? CB GLU A 118 1 ATOM 936 C CG . GLU A 1 118 . 28.227 10.234 34.427 1 9.64 ? CG GLU A 118 1 ATOM 937 C CD . GLU A 1 118 . 28.77 9.37 33.31 1 13.39 ? CD GLU A 118 1 ATOM 938 O OE1 . GLU A 1 118 . 28.036 9.043 32.355 1 11.9 ? OE1 GLU A 118 1 ATOM 939 O OE2 . GLU A 1 118 . 29.956 8.998 33.405 1 16.59 ? OE2 GLU A 118 1 ATOM 944 C CB . LEU A 1 119 . 23.556 15.023 34.184 1 7.83 ? CB LEU A 119 1 ATOM 945 C CG . LEU A 1 119 . 22.417 15.972 33.81 1 9.54 ? CG LEU A 119 1 ATOM 946 C CD1 . LEU A 1 119 . 21.213 15.661 34.618 1 11.05 ? CD1 LEU A 119 1 ATOM 947 C CD2 . LEU A 1 119 . 22.822 17.421 34.066 1 12.54 ? CD2 LEU A 119 1 ATOM 952 C CB . ILE A 1 120 . 21.103 11.118 30.485 1 7.19 ? CB ILE A 120 1 ATOM 953 C CG1 . ILE A 1 120 . 22.171 10.07 30.801 1 8.26 ? CG1 ILE A 120 1 ATOM 954 C CG2 . ILE A 1 120 . 20.556 11.003 29.047 1 6.54 ? CG2 ILE A 120 1 ATOM 955 C CD1 . ILE A 1 120 . 21.668 8.658 30.6 1 9.35 ? CD1 ILE A 120 1 ATOM 960 C CB . LEU A 1 121 . 20.4 16.624 28.526 1 7.37 ? CB LEU A 121 1 ATOM 961 C CG . LEU A 1 121 . 19.607 17.58 27.597 1 7.96 ? CG LEU A 121 1 ATOM 962 C CD1 . LEU A 1 121 . 18.34 18.117 28.29 1 7.91 ? CD1 LEU A 121 1 ATOM 963 C CD2 . LEU A 1 121 . 20.501 18.739 27.151 1 7.96 ? CD2 LEU A 121 1 ATOM 968 C CB . THR A 1 122 . 16.754 12.843 25.832 1 7.51 ? CB THR A 122 1 ATOM 969 O OG1 . THR A 1 122 . 15.422 12.992 26.313 1 9.27 ? OG1 THR A 122 1 ATOM 970 C CG2 . THR A 1 122 . 17.484 11.759 26.622 1 7.86 ? CG2 THR A 122 1 ATOM 975 C CB . MET A 1 123 . 16.76 17.818 23.019 1 9.37 ? CB MET A 123 1 ATOM 976 C CG . MET A 1 123 . 17.359 18.612 24.171 1 11.81 ? CG MET A 123 1 ATOM 977 S SD . MET A 1 123 . 18.325 20.048 23.658 1 16.59 ? SD MET A 123 1 ATOM 978 C CE . MET A 1 123 . 19.871 19.278 23.173 1 14.1 ? CE MET A 123 1 ATOM 983 C CB . THR A 1 124 . 12.073 14.552 21.756 1 10.74 ? CB THR A 124 1 ATOM 984 O OG1 . THR A 1 124 . 12.74 13.544 22.535 1 11.99 ? OG1 THR A 124 1 ATOM 985 C CG2 . THR A 1 124 . 11.247 13.865 20.679 1 11.66 ? CG2 THR A 124 1 ATOM 990 C CB . ALA A 1 125 . 12.603 17.786 17.091 1 13.16 ? CB ALA A 125 1 ATOM 995 C CB . ASP A 1 126 . 8.835 14.982 15.023 1 18.4 ? CB ASP A 126 1 ATOM 996 C CG . ASP A 1 126 . 7.786 16.032 14.66 1 22.34 ? CG ASP A 126 1 ATOM 997 O OD1 . ASP A 1 126 . 6.8 16.198 15.422 1 23.23 ? OD1 ASP A 126 1 ATOM 998 O OD2 . ASP A 1 126 . 7.94 16.702 13.621 1 24.32 ? OD2 ASP A 126 1 ATOM 1003 C CB . ASP A 1 127 . 10.178 10.263 15.303 1 26.47 ? CB ASP A 127 1 ATOM 1004 C CG . ASP A 1 127 . 9.043 9.45 15.88 1 33.21 ? CG ASP A 127 1 ATOM 1005 O OD1 . ASP A 1 127 . 7.892 9.959 15.934 1 36.08 ? OD1 ASP A 127 1 ATOM 1006 O OD2 . ASP A 1 127 . 9.318 8.308 16.318 1 38.35 ? OD2 ASP A 127 1 ATOM 1011 C CB . VAL A 1 128 . 14.864 13.503 15.423 1 12.79 ? CB VAL A 128 1 ATOM 1012 C CG1 . VAL A 1 128 . 16.338 13.757 15.706 1 12.93 ? CG1 VAL A 128 1 ATOM 1013 C CG2 . VAL A 1 128 . 14.677 12.968 14.005 1 14.3 ? CG2 VAL A 128 1 ATOM 1018 C CB . VAL A 1 129 . 15.764 11.007 20.617 1 9.43 ? CB VAL A 129 1 ATOM 1019 C CG1 . VAL A 1 129 . 16.153 11.253 22.076 1 9.09 ? CG1 VAL A 129 1 ATOM 1020 C CG2 . VAL A 1 129 . 14.293 10.61 20.495 1 9.45 ? CG2 VAL A 129 1 ATOM 1025 C CB . CYS A 1 130 . 19.485 15.517 20.544 1 6.05 ? CB CYS A 130 1 ATOM 1026 S SG . CYS A 1 130 . 21.063 16.183 21.077 1 8.82 ? SG CYS A 130 1 ATOM 1031 C CB . THR A 1 131 . 21.419 10.914 23.699 1 6.63 ? CB THR A 131 1 ATOM 1032 O OG1 . THR A 1 131 . 20.199 10.299 23.289 1 7.6 ? OG1 THR A 131 1 ATOM 1033 C CG2 . THR A 1 131 . 21.763 10.399 25.091 1 7.76 ? CG2 THR A 131 1 ATOM 1038 C CB . ARG A 1 132 . 23.719 15.957 25.621 1 9.67 ? CB ARG A 132 1 ATOM 1039 C CG . ARG A 1 132 . 22.945 16.47 24.429 1 15.02 ? CG ARG A 132 1 ATOM 1040 C CD . ARG A 1 132 . 23.781 17.26 23.476 1 16.8 ? CD ARG A 132 1 ATOM 1041 N NE . ARG A 1 132 . 24.14 18.58 23.984 1 12.48 ? NE ARG A 132 1 ATOM 1042 C CZ . ARG A 1 132 . 25.03 19.377 23.395 1 12.93 ? CZ ARG A 132 1 ATOM 1043 N NH1 . ARG A 1 132 . 25.641 19.005 22.279 1 13.84 ? NH1 ARG A 132 1 ATOM 1044 N NH2 . ARG A 1 132 . 25.398 20.506 23.973 1 11.57 ? NH2 ARG A 132 1 ATOM 1049 C CB . VAL A 1 133 . 26.333 11.698 28.608 1 6.37 ? CB VAL A 133 1 ATOM 1050 C CG1 . VAL A 1 133 . 26.609 11.12 29.988 1 7.95 ? CG1 VAL A 133 1 ATOM 1051 C CG2 . VAL A 1 133 . 25.385 10.782 27.832 1 6.46 ? CG2 VAL A 133 1 ATOM 1056 C CB . TYR A 1 134 . 26.846 16.55 31.686 1 6.84 ? CB TYR A 134 1 ATOM 1057 C CG . TYR A 1 134 . 26.118 17.251 30.574 1 8.89 ? CG TYR A 134 1 ATOM 1058 C CD1 . TYR A 1 134 . 24.901 16.762 30.122 1 10.29 ? CD1 TYR A 134 1 ATOM 1059 C CD2 . TYR A 1 134 . 26.628 18.406 29.992 1 10.49 ? CD2 TYR A 134 1 ATOM 1060 C CE1 . TYR A 1 134 . 24.212 17.386 29.133 1 13.03 ? CE1 TYR A 134 1 ATOM 1061 C CE2 . TYR A 1 134 . 25.93 19.051 28.982 1 12.15 ? CE2 TYR A 134 1 ATOM 1062 C CZ . TYR A 1 134 . 24.723 18.517 28.567 1 12.8 ? CZ TYR A 134 1 ATOM 1063 O OH . TYR A 1 134 . 23.991 19.082 27.567 1 18.07 ? OH TYR A 134 1 ATOM 1068 C CB . VAL A 1 135 . 30.925 13.815 34.204 1 8.05 ? CB VAL A 135 1 ATOM 1069 C CG1 . VAL A 1 135 . 32.109 14.556 33.596 1 9.27 ? CG1 VAL A 135 1 ATOM 1070 C CG2 . VAL A 1 135 . 31.304 13.151 35.533 1 10.37 ? CG2 VAL A 135 1 ATOM 1075 C CB . ARG A 1 136 . 30.221 17.319 38.536 1 11.99 ? CB ARG A 136 1 ATOM 1076 C CG . ARG A 1 136 . 28.746 17.454 38.885 1 13.89 ? CG ARG A 136 1 ATOM 1077 C CD . ARG A 1 136 . 28.576 17.533 40.382 1 15.85 ? CD ARG A 136 1 ATOM 1078 N NE . ARG A 1 136 . 27.185 17.407 40.754 1 17.08 ? NE ARG A 136 1 ATOM 1079 C CZ . ARG A 1 136 . 26.561 16.245 40.926 1 21.69 ? CZ ARG A 136 1 ATOM 1080 N NH1 . ARG A 1 136 . 27.217 15.102 40.754 1 23.26 ? NH1 ARG A 136 1 ATOM 1081 N NH2 . ARG A 1 136 . 25.278 16.227 41.283 1 22.6 ? NH2 ARG A 136 1 ATOM 1086 C CB . GLU A 1 137 . 33.661 20.943 36.293 1 19.89 ? CB GLU A 137 1 ATOM 1087 C CG . GLU A 1 137 . 33.092 21.492 35.035 1 28.03 ? CG GLU A 137 1 ATOM 1088 C CD . GLU A 1 137 . 33.469 22.953 34.865 1 33.22 ? CD GLU A 137 1 ATOM 1089 O OE1 . GLU A 1 137 . 34.63 23.217 34.473 1 37.31 ? OE1 GLU A 137 1 ATOM 1090 O OE2 . GLU A 1 137 . 32.636 23.836 35.164 1 36.38 ? OE2 GLU A 137 1 ATOM 1091 O OXT . GLU A 1 137 . 35.776 18.68 37.173 1 22.23 ? OXT GLU A 137 1 # _coordinate_server_stats.molecule_cached no _coordinate_server_stats.io_time_ms 1 _coordinate_server_stats.parse_time_ms 13 _coordinate_server_stats.query_time_ms 0 _coordinate_server_stats.format_time_ms 30 #