data_3JXI # _entry.id 3JXI # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3JXI RCSB RCSB055283 WWPDB D_1000055283 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2pnn 'TRPV1 ankyrin repeats' unspecified PDB 2etb 'TRPV2 ankyrin repeats' unspecified PDB 2rfa 'TRPV6 ankyrin repeats' unspecified PDB 3JZJ . unspecified # _pdbx_database_status.entry_id 3JXI _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2009-09-19 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Phelps, C.B.' 1 'Wang, R.R.' 2 'Gaudet, R.' 3 # _citation.id primary _citation.title 'Mutations in TRPV4 cause Charcot-Marie-Tooth disease type 2C.' _citation.journal_abbrev Nat.Genet. _citation.journal_volume 42 _citation.page_first 170 _citation.page_last 174 _citation.year 2010 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1061-4036 _citation.journal_id_CSD 9999 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20037586 _citation.pdbx_database_id_DOI 10.1038/ng.512 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Landoure, G.' 1 primary 'Zdebik, A.A.' 2 primary 'Martinez, T.L.' 3 primary 'Burnett, B.G.' 4 primary 'Stanescu, H.C.' 5 primary 'Inada, H.' 6 primary 'Shi, Y.' 7 primary 'Taye, A.A.' 8 primary 'Kong, L.' 9 primary 'Munns, C.H.' 10 primary 'Choo, S.S.' 11 primary 'Phelps, C.B.' 12 primary 'Paudel, R.' 13 primary 'Houlden, H.' 14 primary 'Ludlow, C.L.' 15 primary 'Caterina, M.J.' 16 primary 'Gaudet, R.' 17 primary 'Kleta, R.' 18 primary 'Fischbeck, K.H.' 19 primary 'Sumner, C.J.' 20 # _cell.length_a 105.259 _cell.length_b 48.119 _cell.length_c 133.891 _cell.angle_alpha 90.000 _cell.angle_beta 101.890 _cell.angle_gamma 90.000 _cell.entry_id 3JXI _cell.pdbx_unique_axis ? _cell.Z_PDB 8 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.entry_id 3JXI _symmetry.Int_Tables_number 4 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Vanilloid receptor-related osmotically activated channel protein' 29478.891 4 ? ? 'UNP residues 133-382, ankyrin repeat domain' ? 2 water nat water 18.015 534 ? ? ? ? # _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 ;MKVFNRPILFDIVSRGSPDGLEGLLSFLLTHKKRLTDEEFREPSTGKTCLPKALLNLSAGRNDTIPILLDIAEKTGNMRE FINSPFRDVYYRGQTALHIAIERRCKHYVELLVEKGADVHAQARGRFFQPKDEGGYFYFGELPLSLAACTNQPHIVHYLT ENGHKQADLRRQDSRGNTVLHALVAIADNTRENTKFVTKMYDLLLIKCAKLFPDTNLEALLNNDGLSPLMMAAKTGKIGI FQHIIRREIADAAAHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;MKVFNRPILFDIVSRGSPDGLEGLLSFLLTHKKRLTDEEFREPSTGKTCLPKALLNLSAGRNDTIPILLDIAEKTGNMRE FINSPFRDVYYRGQTALHIAIERRCKHYVELLVEKGADVHAQARGRFFQPKDEGGYFYFGELPLSLAACTNQPHIVHYLT ENGHKQADLRRQDSRGNTVLHALVAIADNTRENTKFVTKMYDLLLIKCAKLFPDTNLEALLNNDGLSPLMMAAKTGKIGI FQHIIRREIADAAAHHHHHH ; _entity_poly.pdbx_strand_id A,B,C,D _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 LYS n 1 3 VAL n 1 4 PHE n 1 5 ASN n 1 6 ARG n 1 7 PRO n 1 8 ILE n 1 9 LEU n 1 10 PHE n 1 11 ASP n 1 12 ILE n 1 13 VAL n 1 14 SER n 1 15 ARG n 1 16 GLY n 1 17 SER n 1 18 PRO n 1 19 ASP n 1 20 GLY n 1 21 LEU n 1 22 GLU n 1 23 GLY n 1 24 LEU n 1 25 LEU n 1 26 SER n 1 27 PHE n 1 28 LEU n 1 29 LEU n 1 30 THR n 1 31 HIS n 1 32 LYS n 1 33 LYS n 1 34 ARG n 1 35 LEU n 1 36 THR n 1 37 ASP n 1 38 GLU n 1 39 GLU n 1 40 PHE n 1 41 ARG n 1 42 GLU n 1 43 PRO n 1 44 SER n 1 45 THR n 1 46 GLY n 1 47 LYS n 1 48 THR n 1 49 CYS n 1 50 LEU n 1 51 PRO n 1 52 LYS n 1 53 ALA n 1 54 LEU n 1 55 LEU n 1 56 ASN n 1 57 LEU n 1 58 SER n 1 59 ALA n 1 60 GLY n 1 61 ARG n 1 62 ASN n 1 63 ASP n 1 64 THR n 1 65 ILE n 1 66 PRO n 1 67 ILE n 1 68 LEU n 1 69 LEU n 1 70 ASP n 1 71 ILE n 1 72 ALA n 1 73 GLU n 1 74 LYS n 1 75 THR n 1 76 GLY n 1 77 ASN n 1 78 MET n 1 79 ARG n 1 80 GLU n 1 81 PHE n 1 82 ILE n 1 83 ASN n 1 84 SER n 1 85 PRO n 1 86 PHE n 1 87 ARG n 1 88 ASP n 1 89 VAL n 1 90 TYR n 1 91 TYR n 1 92 ARG n 1 93 GLY n 1 94 GLN n 1 95 THR n 1 96 ALA n 1 97 LEU n 1 98 HIS n 1 99 ILE n 1 100 ALA n 1 101 ILE n 1 102 GLU n 1 103 ARG n 1 104 ARG n 1 105 CYS n 1 106 LYS n 1 107 HIS n 1 108 TYR n 1 109 VAL n 1 110 GLU n 1 111 LEU n 1 112 LEU n 1 113 VAL n 1 114 GLU n 1 115 LYS n 1 116 GLY n 1 117 ALA n 1 118 ASP n 1 119 VAL n 1 120 HIS n 1 121 ALA n 1 122 GLN n 1 123 ALA n 1 124 ARG n 1 125 GLY n 1 126 ARG n 1 127 PHE n 1 128 PHE n 1 129 GLN n 1 130 PRO n 1 131 LYS n 1 132 ASP n 1 133 GLU n 1 134 GLY n 1 135 GLY n 1 136 TYR n 1 137 PHE n 1 138 TYR n 1 139 PHE n 1 140 GLY n 1 141 GLU n 1 142 LEU n 1 143 PRO n 1 144 LEU n 1 145 SER n 1 146 LEU n 1 147 ALA n 1 148 ALA n 1 149 CYS n 1 150 THR n 1 151 ASN n 1 152 GLN n 1 153 PRO n 1 154 HIS n 1 155 ILE n 1 156 VAL n 1 157 HIS n 1 158 TYR n 1 159 LEU n 1 160 THR n 1 161 GLU n 1 162 ASN n 1 163 GLY n 1 164 HIS n 1 165 LYS n 1 166 GLN n 1 167 ALA n 1 168 ASP n 1 169 LEU n 1 170 ARG n 1 171 ARG n 1 172 GLN n 1 173 ASP n 1 174 SER n 1 175 ARG n 1 176 GLY n 1 177 ASN n 1 178 THR n 1 179 VAL n 1 180 LEU n 1 181 HIS n 1 182 ALA n 1 183 LEU n 1 184 VAL n 1 185 ALA n 1 186 ILE n 1 187 ALA n 1 188 ASP n 1 189 ASN n 1 190 THR n 1 191 ARG n 1 192 GLU n 1 193 ASN n 1 194 THR n 1 195 LYS n 1 196 PHE n 1 197 VAL n 1 198 THR n 1 199 LYS n 1 200 MET n 1 201 TYR n 1 202 ASP n 1 203 LEU n 1 204 LEU n 1 205 LEU n 1 206 ILE n 1 207 LYS n 1 208 CYS n 1 209 ALA n 1 210 LYS n 1 211 LEU n 1 212 PHE n 1 213 PRO n 1 214 ASP n 1 215 THR n 1 216 ASN n 1 217 LEU n 1 218 GLU n 1 219 ALA n 1 220 LEU n 1 221 LEU n 1 222 ASN n 1 223 ASN n 1 224 ASP n 1 225 GLY n 1 226 LEU n 1 227 SER n 1 228 PRO n 1 229 LEU n 1 230 MET n 1 231 MET n 1 232 ALA n 1 233 ALA n 1 234 LYS n 1 235 THR n 1 236 GLY n 1 237 LYS n 1 238 ILE n 1 239 GLY n 1 240 ILE n 1 241 PHE n 1 242 GLN n 1 243 HIS n 1 244 ILE n 1 245 ILE n 1 246 ARG n 1 247 ARG n 1 248 GLU n 1 249 ILE n 1 250 ALA n 1 251 ASP n 1 252 ALA n 1 253 ALA n 1 254 ALA n 1 255 HIS n 1 256 HIS n 1 257 HIS n 1 258 HIS n 1 259 HIS n 1 260 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name chicken _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'TRPV4, VR-OAC' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Gallus gallus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9031 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'BL21(DE3)' _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pET21-C6H _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q9DFS3_CHICK _struct_ref.pdbx_db_accession Q9DFS3 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;KVFNRPILFDIVSRGSPDGLEGLLSFLLTHKKRLTDEEFREPSTGKTCLPKALLNLSAGRNDTIPILLDIAEKTGNMREF INSPFRDVYYRGQTALHIAIERRCKHYVELLVEKGADVHAQARGRFFQPKDEGGYFYFGELPLSLAACTNQPHIVHYLTE NGHKQADLRRQDSRGNTVLHALVAIADNTRENTKFVTKMYDLLLIKCAKLFPDTNLEALLNNDGLSPLMMAAKTGKIGIF QHIIRREIAD ; _struct_ref.pdbx_align_begin 133 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3JXI A 2 ? 251 ? Q9DFS3 133 ? 382 ? 133 382 2 1 3JXI B 2 ? 251 ? Q9DFS3 133 ? 382 ? 133 382 3 1 3JXI C 2 ? 251 ? Q9DFS3 133 ? 382 ? 133 382 4 1 3JXI D 2 ? 251 ? Q9DFS3 133 ? 382 ? 133 382 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3JXI MET A 1 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 132 1 1 3JXI ALA A 252 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 383 2 1 3JXI ALA A 253 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 384 3 1 3JXI ALA A 254 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 385 4 1 3JXI HIS A 255 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 386 5 1 3JXI HIS A 256 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 387 6 1 3JXI HIS A 257 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 388 7 1 3JXI HIS A 258 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 389 8 1 3JXI HIS A 259 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 390 9 1 3JXI HIS A 260 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 391 10 2 3JXI MET B 1 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 132 11 2 3JXI ALA B 252 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 383 12 2 3JXI ALA B 253 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 384 13 2 3JXI ALA B 254 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 385 14 2 3JXI HIS B 255 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 386 15 2 3JXI HIS B 256 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 387 16 2 3JXI HIS B 257 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 388 17 2 3JXI HIS B 258 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 389 18 2 3JXI HIS B 259 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 390 19 2 3JXI HIS B 260 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 391 20 3 3JXI MET C 1 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 132 21 3 3JXI ALA C 252 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 383 22 3 3JXI ALA C 253 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 384 23 3 3JXI ALA C 254 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 385 24 3 3JXI HIS C 255 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 386 25 3 3JXI HIS C 256 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 387 26 3 3JXI HIS C 257 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 388 27 3 3JXI HIS C 258 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 389 28 3 3JXI HIS C 259 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 390 29 3 3JXI HIS C 260 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 391 30 4 3JXI MET D 1 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 132 31 4 3JXI ALA D 252 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 383 32 4 3JXI ALA D 253 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 384 33 4 3JXI ALA D 254 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 385 34 4 3JXI HIS D 255 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 386 35 4 3JXI HIS D 256 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 387 36 4 3JXI HIS D 257 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 388 37 4 3JXI HIS D 258 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 389 38 4 3JXI HIS D 259 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 390 39 4 3JXI HIS D 260 ? UNP Q9DFS3 ? ? 'EXPRESSION TAG' 391 40 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 3JXI _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.81 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 56.29 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 5.0 _exptl_crystal_grow.temp 277 _exptl_crystal_grow.pdbx_details '0.1 M sodium citrate pH 5.0, 10% MPD, 2% PEG8000, 4.3% trifluoroethanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 110 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IV++' _diffrn_detector.pdbx_collection_date 2007-08-08 _diffrn_detector.details 'osmic mirrors' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU MICROMAX-007' _diffrn_source.pdbx_wavelength_list 1.54 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? # _reflns.entry_id 3JXI _reflns.d_resolution_high 2.200 _reflns.d_resolution_low 35.000 _reflns.number_obs 65393 _reflns.pdbx_Rmerge_I_obs 0.078 _reflns.pdbx_netI_over_sigmaI 9.700 _reflns.pdbx_chi_squared 1.507 _reflns.pdbx_redundancy 2.800 _reflns.percent_possible_obs 97.600 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 2.20 2.28 ? ? ? 0.598 ? ? 1.633 2.70 ? 6457 97.10 1 1 2.28 2.37 ? ? ? 0.417 ? ? 1.213 2.80 ? 6440 97.60 2 1 2.37 2.48 ? ? ? 0.330 ? ? 1.321 2.80 ? 6455 97.30 3 1 2.48 2.61 ? ? ? 0.267 ? ? 1.388 2.80 ? 6486 97.30 4 1 2.61 2.77 ? ? ? 0.217 ? ? 1.586 2.80 ? 6469 97.10 5 1 2.77 2.99 ? ? ? 0.139 ? ? 1.609 2.80 ? 6525 97.40 6 1 2.99 3.29 ? ? ? 0.105 ? ? 1.776 2.80 ? 6514 97.70 7 1 3.29 3.76 ? ? ? 0.075 ? ? 1.931 2.90 ? 6601 98.20 8 1 3.76 4.74 ? ? ? 0.048 ? ? 1.551 2.90 ? 6674 98.60 9 1 4.74 35.00 ? ? ? 0.034 ? ? 1.067 2.90 ? 6772 97.30 10 1 # _refine.entry_id 3JXI _refine.ls_d_res_high 2.300 _refine.ls_d_res_low 29.510 _refine.pdbx_ls_sigma_F 0.00 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 97.650 _refine.ls_number_reflns_obs 57722 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.204 _refine.ls_R_factor_R_work 0.203 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.243 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 2.000 _refine.ls_number_reflns_R_free 1178 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 27.512 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] -0.210 _refine.aniso_B[2][2] 0.230 _refine.aniso_B[3][3] -0.020 _refine.aniso_B[1][2] 0.000 _refine.aniso_B[1][3] 0.020 _refine.aniso_B[2][3] 0.000 _refine.correlation_coeff_Fo_to_Fc 0.950 _refine.correlation_coeff_Fo_to_Fc_free 0.924 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R 0.294 _refine.pdbx_overall_ESU_R_Free 0.221 _refine.overall_SU_ML 0.167 _refine.overall_SU_B 12.892 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.200 _refine.pdbx_solvent_ion_probe_radii 0.800 _refine.pdbx_solvent_shrinkage_radii 0.800 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 'PDB ENTRY 2etb (TRPV2 ankyrin repeats)' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 89.79 _refine.B_iso_min 3.27 _refine.occupancy_max 1.00 _refine.occupancy_min 0.50 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 8005 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 534 _refine_hist.number_atoms_total 8539 _refine_hist.d_res_high 2.300 _refine_hist.d_res_low 29.510 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 8184 0.014 0.022 ? 'X-RAY DIFFRACTION' ? r_bond_other_d 5703 0.001 0.020 ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 11049 1.473 1.966 ? 'X-RAY DIFFRACTION' ? r_angle_other_deg 13845 1.007 3.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 1009 6.744 5.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 389 34.767 23.111 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 1466 17.951 15.000 ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 73 18.067 15.000 ? 'X-RAY DIFFRACTION' ? r_chiral_restr 1239 0.085 0.200 ? 'X-RAY DIFFRACTION' ? r_gen_planes_refined 9056 0.006 0.021 ? 'X-RAY DIFFRACTION' ? r_gen_planes_other 1705 0.001 0.020 ? 'X-RAY DIFFRACTION' ? r_mcbond_it 5019 0.563 1.500 ? 'X-RAY DIFFRACTION' ? r_mcbond_other 2036 0.133 1.500 ? 'X-RAY DIFFRACTION' ? r_mcangle_it 8073 1.049 2.000 ? 'X-RAY DIFFRACTION' ? r_scbond_it 3165 1.745 3.000 ? 'X-RAY DIFFRACTION' ? r_scangle_it 2972 2.792 4.500 ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.d_res_high 2.300 _refine_ls_shell.d_res_low 2.359 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 97.660 _refine_ls_shell.number_reflns_R_work 4089 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.249 _refine_ls_shell.R_factor_R_free 0.417 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 79 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 4168 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3JXI _struct.title 'Crystal structure of the chicken TRPV4 ankyrin repeat domain' _struct.pdbx_descriptor 'Vanilloid receptor-related osmotically activated channel protein' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3JXI _struct_keywords.text 'ankyrin repeats, ANK repeat, Ion transport, Ionic channel, Receptor, Transmembrane, Transport, MEMBRANE PROTEIN' _struct_keywords.pdbx_keywords 'MEMBRANE PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? # loop_ _struct_biol.id _struct_biol.details 1 ? 2 ? 3 ? 4 ? # 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 5 ? GLY A 16 ? ASN A 136 GLY A 147 1 ? 12 HELX_P HELX_P2 2 SER A 17 ? GLU A 22 ? SER A 148 GLU A 153 5 ? 6 HELX_P HELX_P3 3 GLY A 23 ? LYS A 32 ? GLY A 154 LYS A 163 1 ? 10 HELX_P HELX_P4 4 ASP A 37 ? ARG A 41 ? ASP A 168 ARG A 172 5 ? 5 HELX_P HELX_P5 5 THR A 48 ? LEU A 55 ? THR A 179 LEU A 186 1 ? 8 HELX_P HELX_P6 6 ASP A 63 ? THR A 75 ? ASP A 194 THR A 206 1 ? 13 HELX_P HELX_P7 7 ASN A 77 ? ASN A 83 ? ASN A 208 ASN A 214 1 ? 7 HELX_P HELX_P8 8 THR A 95 ? ARG A 103 ? THR A 226 ARG A 234 1 ? 9 HELX_P HELX_P9 9 CYS A 105 ? LYS A 115 ? CYS A 236 LYS A 246 1 ? 11 HELX_P HELX_P10 10 LEU A 142 ? THR A 150 ? LEU A 273 THR A 281 1 ? 9 HELX_P HELX_P11 11 GLN A 152 ? ASN A 162 ? GLN A 283 ASN A 293 1 ? 11 HELX_P HELX_P12 12 THR A 178 ? ALA A 187 ? THR A 309 ALA A 318 1 ? 10 HELX_P HELX_P13 13 THR A 190 ? PHE A 212 ? THR A 321 PHE A 343 1 ? 23 HELX_P HELX_P14 14 ASN A 216 ? LEU A 220 ? ASN A 347 LEU A 351 5 ? 5 HELX_P HELX_P15 15 SER A 227 ? THR A 235 ? SER A 358 THR A 366 1 ? 9 HELX_P HELX_P16 16 LYS A 237 ? ALA A 253 ? LYS A 368 ALA A 384 1 ? 17 HELX_P HELX_P17 17 ASN B 5 ? GLY B 16 ? ASN B 136 GLY B 147 1 ? 12 HELX_P HELX_P18 18 PRO B 18 ? GLU B 22 ? PRO B 149 GLU B 153 5 ? 5 HELX_P HELX_P19 19 GLY B 23 ? LYS B 32 ? GLY B 154 LYS B 163 1 ? 10 HELX_P HELX_P20 20 ASP B 37 ? ARG B 41 ? ASP B 168 ARG B 172 5 ? 5 HELX_P HELX_P21 21 THR B 48 ? LEU B 55 ? THR B 179 LEU B 186 1 ? 8 HELX_P HELX_P22 22 ASP B 63 ? THR B 75 ? ASP B 194 THR B 206 1 ? 13 HELX_P HELX_P23 23 ASN B 77 ? SER B 84 ? ASN B 208 SER B 215 1 ? 8 HELX_P HELX_P24 24 THR B 95 ? ARG B 103 ? THR B 226 ARG B 234 1 ? 9 HELX_P HELX_P25 25 CYS B 105 ? LYS B 115 ? CYS B 236 LYS B 246 1 ? 11 HELX_P HELX_P26 26 LEU B 142 ? THR B 150 ? LEU B 273 THR B 281 1 ? 9 HELX_P HELX_P27 27 GLN B 152 ? ASN B 162 ? GLN B 283 ASN B 293 1 ? 11 HELX_P HELX_P28 28 THR B 178 ? ALA B 187 ? THR B 309 ALA B 318 1 ? 10 HELX_P HELX_P29 29 THR B 190 ? PHE B 212 ? THR B 321 PHE B 343 1 ? 23 HELX_P HELX_P30 30 ASN B 216 ? LEU B 220 ? ASN B 347 LEU B 351 5 ? 5 HELX_P HELX_P31 31 SER B 227 ? THR B 235 ? SER B 358 THR B 366 1 ? 9 HELX_P HELX_P32 32 LYS B 237 ? HIS B 256 ? LYS B 368 HIS B 387 1 ? 20 HELX_P HELX_P33 33 ASN C 5 ? GLY C 16 ? ASN C 136 GLY C 147 1 ? 12 HELX_P HELX_P34 34 GLY C 23 ? LYS C 32 ? GLY C 154 LYS C 163 1 ? 10 HELX_P HELX_P35 35 ASP C 37 ? ARG C 41 ? ASP C 168 ARG C 172 5 ? 5 HELX_P HELX_P36 36 THR C 48 ? LEU C 55 ? THR C 179 LEU C 186 1 ? 8 HELX_P HELX_P37 37 THR C 64 ? THR C 75 ? THR C 195 THR C 206 1 ? 12 HELX_P HELX_P38 38 ASN C 77 ? SER C 84 ? ASN C 208 SER C 215 1 ? 8 HELX_P HELX_P39 39 THR C 95 ? ARG C 103 ? THR C 226 ARG C 234 1 ? 9 HELX_P HELX_P40 40 CYS C 105 ? LYS C 115 ? CYS C 236 LYS C 246 1 ? 11 HELX_P HELX_P41 41 LEU C 142 ? THR C 150 ? LEU C 273 THR C 281 1 ? 9 HELX_P HELX_P42 42 GLN C 152 ? ASN C 162 ? GLN C 283 ASN C 293 1 ? 11 HELX_P HELX_P43 43 THR C 178 ? ALA C 187 ? THR C 309 ALA C 318 1 ? 10 HELX_P HELX_P44 44 THR C 190 ? PHE C 212 ? THR C 321 PHE C 343 1 ? 23 HELX_P HELX_P45 45 ASN C 216 ? LEU C 220 ? ASN C 347 LEU C 351 5 ? 5 HELX_P HELX_P46 46 SER C 227 ? GLY C 236 ? SER C 358 GLY C 367 1 ? 10 HELX_P HELX_P47 47 LYS C 237 ? HIS C 256 ? LYS C 368 HIS C 387 1 ? 20 HELX_P HELX_P48 48 ASN D 5 ? GLY D 16 ? ASN D 136 GLY D 147 1 ? 12 HELX_P HELX_P49 49 GLY D 23 ? HIS D 31 ? GLY D 154 HIS D 162 1 ? 9 HELX_P HELX_P50 50 ASP D 37 ? ARG D 41 ? ASP D 168 ARG D 172 5 ? 5 HELX_P HELX_P51 51 THR D 48 ? LEU D 55 ? THR D 179 LEU D 186 1 ? 8 HELX_P HELX_P52 52 THR D 64 ? THR D 75 ? THR D 195 THR D 206 1 ? 12 HELX_P HELX_P53 53 MET D 78 ? ASN D 83 ? MET D 209 ASN D 214 1 ? 6 HELX_P HELX_P54 54 THR D 95 ? ARG D 103 ? THR D 226 ARG D 234 1 ? 9 HELX_P HELX_P55 55 CYS D 105 ? LYS D 115 ? CYS D 236 LYS D 246 1 ? 11 HELX_P HELX_P56 56 LEU D 142 ? THR D 150 ? LEU D 273 THR D 281 1 ? 9 HELX_P HELX_P57 57 GLN D 152 ? ASN D 162 ? GLN D 283 ASN D 293 1 ? 11 HELX_P HELX_P58 58 THR D 178 ? ALA D 187 ? THR D 309 ALA D 318 1 ? 10 HELX_P HELX_P59 59 THR D 190 ? PHE D 212 ? THR D 321 PHE D 343 1 ? 23 HELX_P HELX_P60 60 SER D 227 ? THR D 235 ? SER D 358 THR D 366 1 ? 9 HELX_P HELX_P61 61 LYS D 237 ? HIS D 256 ? LYS D 368 HIS D 387 1 ? 20 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 2 ? C ? 2 ? D ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel # 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.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 1 TYR A 91 ? ARG A 92 ? TYR A 222 ARG A 223 A 2 ARG A 124 ? GLY A 125 ? ARG A 255 GLY A 256 B 1 TYR B 91 ? ARG B 92 ? TYR B 222 ARG B 223 B 2 ARG B 124 ? GLY B 125 ? ARG B 255 GLY B 256 C 1 TYR C 91 ? ARG C 92 ? TYR C 222 ARG C 223 C 2 ARG C 124 ? GLY C 125 ? ARG C 255 GLY C 256 D 1 PHE D 86 ? ARG D 87 ? PHE D 217 ARG D 218 D 2 TYR D 91 ? GLN D 94 ? TYR D 222 GLN D 225 D 3 ARG D 124 ? GLY D 125 ? ARG D 255 GLY D 256 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ARG A 92 ? N ARG A 223 O ARG A 124 ? O ARG A 255 B 1 2 N ARG B 92 ? N ARG B 223 O ARG B 124 ? O ARG B 255 C 1 2 N ARG C 92 ? N ARG C 223 O ARG C 124 ? O ARG C 255 D 1 2 N PHE D 86 ? N PHE D 217 O GLY D 93 ? O GLY D 224 D 2 3 N ARG D 92 ? N ARG D 223 O ARG D 124 ? O ARG D 255 # _atom_sites.entry_id 3JXI _atom_sites.fract_transf_matrix[1][1] 0.009500 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.020782 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.007633 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C N O S # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MET 1 132 132 MET MET A . n A 1 2 LYS 2 133 133 LYS LYS A . n A 1 3 VAL 3 134 134 VAL VAL A . n A 1 4 PHE 4 135 135 PHE PHE A . n A 1 5 ASN 5 136 136 ASN ASN A . n A 1 6 ARG 6 137 137 ARG ARG A . n A 1 7 PRO 7 138 138 PRO PRO A . n A 1 8 ILE 8 139 139 ILE ILE A . n A 1 9 LEU 9 140 140 LEU LEU A . n A 1 10 PHE 10 141 141 PHE PHE A . n A 1 11 ASP 11 142 142 ASP ASP A . n A 1 12 ILE 12 143 143 ILE ILE A . n A 1 13 VAL 13 144 144 VAL VAL A . n A 1 14 SER 14 145 145 SER SER A . n A 1 15 ARG 15 146 146 ARG ARG A . n A 1 16 GLY 16 147 147 GLY GLY A . n A 1 17 SER 17 148 148 SER SER A . n A 1 18 PRO 18 149 149 PRO PRO A . n A 1 19 ASP 19 150 150 ASP ASP A . n A 1 20 GLY 20 151 151 GLY GLY A . n A 1 21 LEU 21 152 152 LEU LEU A . n A 1 22 GLU 22 153 153 GLU GLU A . n A 1 23 GLY 23 154 154 GLY GLY A . n A 1 24 LEU 24 155 155 LEU LEU A . n A 1 25 LEU 25 156 156 LEU LEU A . n A 1 26 SER 26 157 157 SER SER A . n A 1 27 PHE 27 158 158 PHE PHE A . n A 1 28 LEU 28 159 159 LEU LEU A . n A 1 29 LEU 29 160 160 LEU LEU A . n A 1 30 THR 30 161 161 THR THR A . n A 1 31 HIS 31 162 162 HIS HIS A . n A 1 32 LYS 32 163 163 LYS LYS A . n A 1 33 LYS 33 164 164 LYS LYS A . n A 1 34 ARG 34 165 165 ARG ARG A . n A 1 35 LEU 35 166 166 LEU LEU A . n A 1 36 THR 36 167 167 THR THR A . n A 1 37 ASP 37 168 168 ASP ASP A . n A 1 38 GLU 38 169 169 GLU GLU A . n A 1 39 GLU 39 170 170 GLU GLU A . n A 1 40 PHE 40 171 171 PHE PHE A . n A 1 41 ARG 41 172 172 ARG ARG A . n A 1 42 GLU 42 173 173 GLU GLU A . n A 1 43 PRO 43 174 174 PRO PRO A . n A 1 44 SER 44 175 175 SER SER A . n A 1 45 THR 45 176 176 THR THR A . n A 1 46 GLY 46 177 177 GLY GLY A . n A 1 47 LYS 47 178 178 LYS LYS A . n A 1 48 THR 48 179 179 THR THR A . n A 1 49 CYS 49 180 180 CYS CYS A . n A 1 50 LEU 50 181 181 LEU LEU A . n A 1 51 PRO 51 182 182 PRO PRO A . n A 1 52 LYS 52 183 183 LYS LYS A . n A 1 53 ALA 53 184 184 ALA ALA A . n A 1 54 LEU 54 185 185 LEU LEU A . n A 1 55 LEU 55 186 186 LEU LEU A . n A 1 56 ASN 56 187 187 ASN ASN A . n A 1 57 LEU 57 188 188 LEU LEU A . n A 1 58 SER 58 189 189 SER SER A . n A 1 59 ALA 59 190 190 ALA ALA A . n A 1 60 GLY 60 191 191 GLY GLY A . n A 1 61 ARG 61 192 192 ARG ARG A . n A 1 62 ASN 62 193 193 ASN ASN A . n A 1 63 ASP 63 194 194 ASP ASP A . n A 1 64 THR 64 195 195 THR THR A . n A 1 65 ILE 65 196 196 ILE ILE A . n A 1 66 PRO 66 197 197 PRO PRO A . n A 1 67 ILE 67 198 198 ILE ILE A . n A 1 68 LEU 68 199 199 LEU LEU A . n A 1 69 LEU 69 200 200 LEU LEU A . n A 1 70 ASP 70 201 201 ASP ASP A . n A 1 71 ILE 71 202 202 ILE ILE A . n A 1 72 ALA 72 203 203 ALA ALA A . n A 1 73 GLU 73 204 204 GLU GLU A . n A 1 74 LYS 74 205 205 LYS LYS A . n A 1 75 THR 75 206 206 THR THR A . n A 1 76 GLY 76 207 207 GLY GLY A . n A 1 77 ASN 77 208 208 ASN ASN A . n A 1 78 MET 78 209 209 MET MET A . n A 1 79 ARG 79 210 210 ARG ARG A . n A 1 80 GLU 80 211 211 GLU GLU A . n A 1 81 PHE 81 212 212 PHE PHE A . n A 1 82 ILE 82 213 213 ILE ILE A . n A 1 83 ASN 83 214 214 ASN ASN A . n A 1 84 SER 84 215 215 SER SER A . n A 1 85 PRO 85 216 216 PRO PRO A . n A 1 86 PHE 86 217 217 PHE PHE A . n A 1 87 ARG 87 218 218 ARG ARG A . n A 1 88 ASP 88 219 219 ASP ASP A . n A 1 89 VAL 89 220 220 VAL VAL A . n A 1 90 TYR 90 221 221 TYR TYR A . n A 1 91 TYR 91 222 222 TYR TYR A . n A 1 92 ARG 92 223 223 ARG ARG A . n A 1 93 GLY 93 224 224 GLY GLY A . n A 1 94 GLN 94 225 225 GLN GLN A . n A 1 95 THR 95 226 226 THR THR A . n A 1 96 ALA 96 227 227 ALA ALA A . n A 1 97 LEU 97 228 228 LEU LEU A . n A 1 98 HIS 98 229 229 HIS HIS A . n A 1 99 ILE 99 230 230 ILE ILE A . n A 1 100 ALA 100 231 231 ALA ALA A . n A 1 101 ILE 101 232 232 ILE ILE A . n A 1 102 GLU 102 233 233 GLU GLU A . n A 1 103 ARG 103 234 234 ARG ARG A . n A 1 104 ARG 104 235 235 ARG ARG A . n A 1 105 CYS 105 236 236 CYS CYS A . n A 1 106 LYS 106 237 237 LYS LYS A . n A 1 107 HIS 107 238 238 HIS HIS A . n A 1 108 TYR 108 239 239 TYR TYR A . n A 1 109 VAL 109 240 240 VAL VAL A . n A 1 110 GLU 110 241 241 GLU GLU A . n A 1 111 LEU 111 242 242 LEU LEU A . n A 1 112 LEU 112 243 243 LEU LEU A . n A 1 113 VAL 113 244 244 VAL VAL A . n A 1 114 GLU 114 245 245 GLU GLU A . n A 1 115 LYS 115 246 246 LYS LYS A . n A 1 116 GLY 116 247 247 GLY GLY A . n A 1 117 ALA 117 248 248 ALA ALA A . n A 1 118 ASP 118 249 249 ASP ASP A . n A 1 119 VAL 119 250 250 VAL VAL A . n A 1 120 HIS 120 251 251 HIS HIS A . n A 1 121 ALA 121 252 252 ALA ALA A . n A 1 122 GLN 122 253 253 GLN GLN A . n A 1 123 ALA 123 254 254 ALA ALA A . n A 1 124 ARG 124 255 255 ARG ARG A . n A 1 125 GLY 125 256 256 GLY GLY A . n A 1 126 ARG 126 257 257 ARG ARG A . n A 1 127 PHE 127 258 258 PHE PHE A . n A 1 128 PHE 128 259 259 PHE PHE A . n A 1 129 GLN 129 260 260 GLN GLN A . n A 1 130 PRO 130 261 261 PRO PRO A . n A 1 131 LYS 131 262 262 LYS LYS A . n A 1 132 ASP 132 263 263 ASP ASP A . n A 1 133 GLU 133 264 264 GLU GLU A . n A 1 134 GLY 134 265 265 GLY GLY A . n A 1 135 GLY 135 266 266 GLY GLY A . n A 1 136 TYR 136 267 267 TYR TYR A . n A 1 137 PHE 137 268 268 PHE PHE A . n A 1 138 TYR 138 269 269 TYR TYR A . n A 1 139 PHE 139 270 270 PHE PHE A . n A 1 140 GLY 140 271 271 GLY GLY A . n A 1 141 GLU 141 272 272 GLU GLU A . n A 1 142 LEU 142 273 273 LEU LEU A . n A 1 143 PRO 143 274 274 PRO PRO A . n A 1 144 LEU 144 275 275 LEU LEU A . n A 1 145 SER 145 276 276 SER SER A . n A 1 146 LEU 146 277 277 LEU LEU A . n A 1 147 ALA 147 278 278 ALA ALA A . n A 1 148 ALA 148 279 279 ALA ALA A . n A 1 149 CYS 149 280 280 CYS CYS A . n A 1 150 THR 150 281 281 THR THR A . n A 1 151 ASN 151 282 282 ASN ASN A . n A 1 152 GLN 152 283 283 GLN GLN A . n A 1 153 PRO 153 284 284 PRO PRO A . n A 1 154 HIS 154 285 285 HIS HIS A . n A 1 155 ILE 155 286 286 ILE ILE A . n A 1 156 VAL 156 287 287 VAL VAL A . n A 1 157 HIS 157 288 288 HIS HIS A . n A 1 158 TYR 158 289 289 TYR TYR A . n A 1 159 LEU 159 290 290 LEU LEU A . n A 1 160 THR 160 291 291 THR THR A . n A 1 161 GLU 161 292 292 GLU GLU A . n A 1 162 ASN 162 293 293 ASN ASN A . n A 1 163 GLY 163 294 294 GLY GLY A . n A 1 164 HIS 164 295 295 HIS HIS A . n A 1 165 LYS 165 296 296 LYS LYS A . n A 1 166 GLN 166 297 297 GLN GLN A . n A 1 167 ALA 167 298 298 ALA ALA A . n A 1 168 ASP 168 299 299 ASP ASP A . n A 1 169 LEU 169 300 300 LEU LEU A . n A 1 170 ARG 170 301 301 ARG ARG A . n A 1 171 ARG 171 302 302 ARG ARG A . n A 1 172 GLN 172 303 303 GLN GLN A . n A 1 173 ASP 173 304 304 ASP ASP A . n A 1 174 SER 174 305 305 SER SER A . n A 1 175 ARG 175 306 306 ARG ARG A . n A 1 176 GLY 176 307 307 GLY GLY A . n A 1 177 ASN 177 308 308 ASN ASN A . n A 1 178 THR 178 309 309 THR THR A . n A 1 179 VAL 179 310 310 VAL VAL A . n A 1 180 LEU 180 311 311 LEU LEU A . n A 1 181 HIS 181 312 312 HIS HIS A . n A 1 182 ALA 182 313 313 ALA ALA A . n A 1 183 LEU 183 314 314 LEU LEU A . n A 1 184 VAL 184 315 315 VAL VAL A . n A 1 185 ALA 185 316 316 ALA ALA A . n A 1 186 ILE 186 317 317 ILE ILE A . n A 1 187 ALA 187 318 318 ALA ALA A . n A 1 188 ASP 188 319 319 ASP ASP A . n A 1 189 ASN 189 320 320 ASN ASN A . n A 1 190 THR 190 321 321 THR THR A . n A 1 191 ARG 191 322 322 ARG ARG A . n A 1 192 GLU 192 323 323 GLU GLU A . n A 1 193 ASN 193 324 324 ASN ASN A . n A 1 194 THR 194 325 325 THR THR A . n A 1 195 LYS 195 326 326 LYS LYS A . n A 1 196 PHE 196 327 327 PHE PHE A . n A 1 197 VAL 197 328 328 VAL VAL A . n A 1 198 THR 198 329 329 THR THR A . n A 1 199 LYS 199 330 330 LYS LYS A . n A 1 200 MET 200 331 331 MET MET A . n A 1 201 TYR 201 332 332 TYR TYR A . n A 1 202 ASP 202 333 333 ASP ASP A . n A 1 203 LEU 203 334 334 LEU LEU A . n A 1 204 LEU 204 335 335 LEU LEU A . n A 1 205 LEU 205 336 336 LEU LEU A . n A 1 206 ILE 206 337 337 ILE ILE A . n A 1 207 LYS 207 338 338 LYS LYS A . n A 1 208 CYS 208 339 339 CYS CYS A . n A 1 209 ALA 209 340 340 ALA ALA A . n A 1 210 LYS 210 341 341 LYS LYS A . n A 1 211 LEU 211 342 342 LEU LEU A . n A 1 212 PHE 212 343 343 PHE PHE A . n A 1 213 PRO 213 344 344 PRO PRO A . n A 1 214 ASP 214 345 345 ASP ASP A . n A 1 215 THR 215 346 346 THR THR A . n A 1 216 ASN 216 347 347 ASN ASN A . n A 1 217 LEU 217 348 348 LEU LEU A . n A 1 218 GLU 218 349 349 GLU GLU A . n A 1 219 ALA 219 350 350 ALA ALA A . n A 1 220 LEU 220 351 351 LEU LEU A . n A 1 221 LEU 221 352 352 LEU LEU A . n A 1 222 ASN 222 353 353 ASN ASN A . n A 1 223 ASN 223 354 354 ASN ASN A . n A 1 224 ASP 224 355 355 ASP ASP A . n A 1 225 GLY 225 356 356 GLY GLY A . n A 1 226 LEU 226 357 357 LEU LEU A . n A 1 227 SER 227 358 358 SER SER A . n A 1 228 PRO 228 359 359 PRO PRO A . n A 1 229 LEU 229 360 360 LEU LEU A . n A 1 230 MET 230 361 361 MET MET A . n A 1 231 MET 231 362 362 MET MET A . n A 1 232 ALA 232 363 363 ALA ALA A . n A 1 233 ALA 233 364 364 ALA ALA A . n A 1 234 LYS 234 365 365 LYS LYS A . n A 1 235 THR 235 366 366 THR THR A . n A 1 236 GLY 236 367 367 GLY GLY A . n A 1 237 LYS 237 368 368 LYS LYS A . n A 1 238 ILE 238 369 369 ILE ILE A . n A 1 239 GLY 239 370 370 GLY GLY A . n A 1 240 ILE 240 371 371 ILE ILE A . n A 1 241 PHE 241 372 372 PHE PHE A . n A 1 242 GLN 242 373 373 GLN GLN A . n A 1 243 HIS 243 374 374 HIS HIS A . n A 1 244 ILE 244 375 375 ILE ILE A . n A 1 245 ILE 245 376 376 ILE ILE A . n A 1 246 ARG 246 377 377 ARG ARG A . n A 1 247 ARG 247 378 378 ARG ARG A . n A 1 248 GLU 248 379 379 GLU GLU A . n A 1 249 ILE 249 380 380 ILE ILE A . n A 1 250 ALA 250 381 381 ALA ALA A . n A 1 251 ASP 251 382 382 ASP ASP A . n A 1 252 ALA 252 383 383 ALA ALA A . n A 1 253 ALA 253 384 384 ALA ALA A . n A 1 254 ALA 254 385 ? ? ? A . n A 1 255 HIS 255 386 ? ? ? A . n A 1 256 HIS 256 387 ? ? ? A . n A 1 257 HIS 257 388 ? ? ? A . n A 1 258 HIS 258 389 ? ? ? A . n A 1 259 HIS 259 390 ? ? ? A . n A 1 260 HIS 260 391 ? ? ? A . n B 1 1 MET 1 132 132 MET MET B . n B 1 2 LYS 2 133 133 LYS LYS B . n B 1 3 VAL 3 134 134 VAL VAL B . n B 1 4 PHE 4 135 135 PHE PHE B . n B 1 5 ASN 5 136 136 ASN ASN B . n B 1 6 ARG 6 137 137 ARG ARG B . n B 1 7 PRO 7 138 138 PRO PRO B . n B 1 8 ILE 8 139 139 ILE ILE B . n B 1 9 LEU 9 140 140 LEU LEU B . n B 1 10 PHE 10 141 141 PHE PHE B . n B 1 11 ASP 11 142 142 ASP ASP B . n B 1 12 ILE 12 143 143 ILE ILE B . n B 1 13 VAL 13 144 144 VAL VAL B . n B 1 14 SER 14 145 145 SER SER B . n B 1 15 ARG 15 146 146 ARG ARG B . n B 1 16 GLY 16 147 147 GLY GLY B . n B 1 17 SER 17 148 148 SER SER B . n B 1 18 PRO 18 149 149 PRO PRO B . n B 1 19 ASP 19 150 150 ASP ASP B . n B 1 20 GLY 20 151 151 GLY GLY B . n B 1 21 LEU 21 152 152 LEU LEU B . n B 1 22 GLU 22 153 153 GLU GLU B . n B 1 23 GLY 23 154 154 GLY GLY B . n B 1 24 LEU 24 155 155 LEU LEU B . n B 1 25 LEU 25 156 156 LEU LEU B . n B 1 26 SER 26 157 157 SER SER B . n B 1 27 PHE 27 158 158 PHE PHE B . n B 1 28 LEU 28 159 159 LEU LEU B . n B 1 29 LEU 29 160 160 LEU LEU B . n B 1 30 THR 30 161 161 THR THR B . n B 1 31 HIS 31 162 162 HIS HIS B . n B 1 32 LYS 32 163 163 LYS LYS B . n B 1 33 LYS 33 164 164 LYS LYS B . n B 1 34 ARG 34 165 165 ARG ARG B . n B 1 35 LEU 35 166 166 LEU LEU B . n B 1 36 THR 36 167 167 THR THR B . n B 1 37 ASP 37 168 168 ASP ASP B . n B 1 38 GLU 38 169 169 GLU GLU B . n B 1 39 GLU 39 170 170 GLU GLU B . n B 1 40 PHE 40 171 171 PHE PHE B . n B 1 41 ARG 41 172 172 ARG ARG B . n B 1 42 GLU 42 173 173 GLU GLU B . n B 1 43 PRO 43 174 174 PRO PRO B . n B 1 44 SER 44 175 175 SER SER B . n B 1 45 THR 45 176 176 THR THR B . n B 1 46 GLY 46 177 177 GLY GLY B . n B 1 47 LYS 47 178 178 LYS LYS B . n B 1 48 THR 48 179 179 THR THR B . n B 1 49 CYS 49 180 180 CYS CYS B . n B 1 50 LEU 50 181 181 LEU LEU B . n B 1 51 PRO 51 182 182 PRO PRO B . n B 1 52 LYS 52 183 183 LYS LYS B . n B 1 53 ALA 53 184 184 ALA ALA B . n B 1 54 LEU 54 185 185 LEU LEU B . n B 1 55 LEU 55 186 186 LEU LEU B . n B 1 56 ASN 56 187 187 ASN ASN B . n B 1 57 LEU 57 188 188 LEU LEU B . n B 1 58 SER 58 189 189 SER SER B . n B 1 59 ALA 59 190 190 ALA ALA B . n B 1 60 GLY 60 191 191 GLY GLY B . n B 1 61 ARG 61 192 192 ARG ARG B . n B 1 62 ASN 62 193 193 ASN ASN B . n B 1 63 ASP 63 194 194 ASP ASP B . n B 1 64 THR 64 195 195 THR THR B . n B 1 65 ILE 65 196 196 ILE ILE B . n B 1 66 PRO 66 197 197 PRO PRO B . n B 1 67 ILE 67 198 198 ILE ILE B . n B 1 68 LEU 68 199 199 LEU LEU B . n B 1 69 LEU 69 200 200 LEU LEU B . n B 1 70 ASP 70 201 201 ASP ASP B . n B 1 71 ILE 71 202 202 ILE ILE B . n B 1 72 ALA 72 203 203 ALA ALA B . n B 1 73 GLU 73 204 204 GLU GLU B . n B 1 74 LYS 74 205 205 LYS LYS B . n B 1 75 THR 75 206 206 THR THR B . n B 1 76 GLY 76 207 207 GLY GLY B . n B 1 77 ASN 77 208 208 ASN ASN B . n B 1 78 MET 78 209 209 MET MET B . n B 1 79 ARG 79 210 210 ARG ARG B . n B 1 80 GLU 80 211 211 GLU GLU B . n B 1 81 PHE 81 212 212 PHE PHE B . n B 1 82 ILE 82 213 213 ILE ILE B . n B 1 83 ASN 83 214 214 ASN ASN B . n B 1 84 SER 84 215 215 SER SER B . n B 1 85 PRO 85 216 216 PRO PRO B . n B 1 86 PHE 86 217 217 PHE PHE B . n B 1 87 ARG 87 218 218 ARG ARG B . n B 1 88 ASP 88 219 219 ASP ASP B . n B 1 89 VAL 89 220 220 VAL VAL B . n B 1 90 TYR 90 221 221 TYR TYR B . n B 1 91 TYR 91 222 222 TYR TYR B . n B 1 92 ARG 92 223 223 ARG ARG B . n B 1 93 GLY 93 224 224 GLY GLY B . n B 1 94 GLN 94 225 225 GLN GLN B . n B 1 95 THR 95 226 226 THR THR B . n B 1 96 ALA 96 227 227 ALA ALA B . n B 1 97 LEU 97 228 228 LEU LEU B . n B 1 98 HIS 98 229 229 HIS HIS B . n B 1 99 ILE 99 230 230 ILE ILE B . n B 1 100 ALA 100 231 231 ALA ALA B . n B 1 101 ILE 101 232 232 ILE ILE B . n B 1 102 GLU 102 233 233 GLU GLU B . n B 1 103 ARG 103 234 234 ARG ARG B . n B 1 104 ARG 104 235 235 ARG ARG B . n B 1 105 CYS 105 236 236 CYS CYS B . n B 1 106 LYS 106 237 237 LYS LYS B . n B 1 107 HIS 107 238 238 HIS HIS B . n B 1 108 TYR 108 239 239 TYR TYR B . n B 1 109 VAL 109 240 240 VAL VAL B . n B 1 110 GLU 110 241 241 GLU GLU B . n B 1 111 LEU 111 242 242 LEU LEU B . n B 1 112 LEU 112 243 243 LEU LEU B . n B 1 113 VAL 113 244 244 VAL VAL B . n B 1 114 GLU 114 245 245 GLU GLU B . n B 1 115 LYS 115 246 246 LYS LYS B . n B 1 116 GLY 116 247 247 GLY GLY B . n B 1 117 ALA 117 248 248 ALA ALA B . n B 1 118 ASP 118 249 249 ASP ASP B . n B 1 119 VAL 119 250 250 VAL VAL B . n B 1 120 HIS 120 251 251 HIS HIS B . n B 1 121 ALA 121 252 252 ALA ALA B . n B 1 122 GLN 122 253 253 GLN GLN B . n B 1 123 ALA 123 254 254 ALA ALA B . n B 1 124 ARG 124 255 255 ARG ARG B . n B 1 125 GLY 125 256 256 GLY GLY B . n B 1 126 ARG 126 257 257 ARG ARG B . n B 1 127 PHE 127 258 258 PHE PHE B . n B 1 128 PHE 128 259 259 PHE PHE B . n B 1 129 GLN 129 260 260 GLN GLN B . n B 1 130 PRO 130 261 261 PRO PRO B . n B 1 131 LYS 131 262 262 LYS LYS B . n B 1 132 ASP 132 263 263 ASP ASP B . n B 1 133 GLU 133 264 264 GLU GLU B . n B 1 134 GLY 134 265 265 GLY GLY B . n B 1 135 GLY 135 266 266 GLY GLY B . n B 1 136 TYR 136 267 267 TYR TYR B . n B 1 137 PHE 137 268 268 PHE PHE B . n B 1 138 TYR 138 269 269 TYR TYR B . n B 1 139 PHE 139 270 270 PHE PHE B . n B 1 140 GLY 140 271 271 GLY GLY B . n B 1 141 GLU 141 272 272 GLU GLU B . n B 1 142 LEU 142 273 273 LEU LEU B . n B 1 143 PRO 143 274 274 PRO PRO B . n B 1 144 LEU 144 275 275 LEU LEU B . n B 1 145 SER 145 276 276 SER SER B . n B 1 146 LEU 146 277 277 LEU LEU B . n B 1 147 ALA 147 278 278 ALA ALA B . n B 1 148 ALA 148 279 279 ALA ALA B . n B 1 149 CYS 149 280 280 CYS CYS B . n B 1 150 THR 150 281 281 THR THR B . n B 1 151 ASN 151 282 282 ASN ASN B . n B 1 152 GLN 152 283 283 GLN GLN B . n B 1 153 PRO 153 284 284 PRO PRO B . n B 1 154 HIS 154 285 285 HIS HIS B . n B 1 155 ILE 155 286 286 ILE ILE B . n B 1 156 VAL 156 287 287 VAL VAL B . n B 1 157 HIS 157 288 288 HIS HIS B . n B 1 158 TYR 158 289 289 TYR TYR B . n B 1 159 LEU 159 290 290 LEU LEU B . n B 1 160 THR 160 291 291 THR THR B . n B 1 161 GLU 161 292 292 GLU GLU B . n B 1 162 ASN 162 293 293 ASN ASN B . n B 1 163 GLY 163 294 294 GLY GLY B . n B 1 164 HIS 164 295 295 HIS HIS B . n B 1 165 LYS 165 296 296 LYS LYS B . n B 1 166 GLN 166 297 297 GLN GLN B . n B 1 167 ALA 167 298 298 ALA ALA B . n B 1 168 ASP 168 299 299 ASP ASP B . n B 1 169 LEU 169 300 300 LEU LEU B . n B 1 170 ARG 170 301 301 ARG ARG B . n B 1 171 ARG 171 302 302 ARG ARG B . n B 1 172 GLN 172 303 303 GLN GLN B . n B 1 173 ASP 173 304 304 ASP ASP B . n B 1 174 SER 174 305 305 SER SER B . n B 1 175 ARG 175 306 306 ARG ARG B . n B 1 176 GLY 176 307 307 GLY GLY B . n B 1 177 ASN 177 308 308 ASN ASN B . n B 1 178 THR 178 309 309 THR THR B . n B 1 179 VAL 179 310 310 VAL VAL B . n B 1 180 LEU 180 311 311 LEU LEU B . n B 1 181 HIS 181 312 312 HIS HIS B . n B 1 182 ALA 182 313 313 ALA ALA B . n B 1 183 LEU 183 314 314 LEU LEU B . n B 1 184 VAL 184 315 315 VAL VAL B . n B 1 185 ALA 185 316 316 ALA ALA B . n B 1 186 ILE 186 317 317 ILE ILE B . n B 1 187 ALA 187 318 318 ALA ALA B . n B 1 188 ASP 188 319 319 ASP ASP B . n B 1 189 ASN 189 320 320 ASN ASN B . n B 1 190 THR 190 321 321 THR THR B . n B 1 191 ARG 191 322 322 ARG ARG B . n B 1 192 GLU 192 323 323 GLU GLU B . n B 1 193 ASN 193 324 324 ASN ASN B . n B 1 194 THR 194 325 325 THR THR B . n B 1 195 LYS 195 326 326 LYS LYS B . n B 1 196 PHE 196 327 327 PHE PHE B . n B 1 197 VAL 197 328 328 VAL VAL B . n B 1 198 THR 198 329 329 THR THR B . n B 1 199 LYS 199 330 330 LYS LYS B . n B 1 200 MET 200 331 331 MET MET B . n B 1 201 TYR 201 332 332 TYR TYR B . n B 1 202 ASP 202 333 333 ASP ASP B . n B 1 203 LEU 203 334 334 LEU LEU B . n B 1 204 LEU 204 335 335 LEU LEU B . n B 1 205 LEU 205 336 336 LEU LEU B . n B 1 206 ILE 206 337 337 ILE ILE B . n B 1 207 LYS 207 338 338 LYS LYS B . n B 1 208 CYS 208 339 339 CYS CYS B . n B 1 209 ALA 209 340 340 ALA ALA B . n B 1 210 LYS 210 341 341 LYS LYS B . n B 1 211 LEU 211 342 342 LEU LEU B . n B 1 212 PHE 212 343 343 PHE PHE B . n B 1 213 PRO 213 344 344 PRO PRO B . n B 1 214 ASP 214 345 345 ASP ASP B . n B 1 215 THR 215 346 346 THR THR B . n B 1 216 ASN 216 347 347 ASN ASN B . n B 1 217 LEU 217 348 348 LEU LEU B . n B 1 218 GLU 218 349 349 GLU GLU B . n B 1 219 ALA 219 350 350 ALA ALA B . n B 1 220 LEU 220 351 351 LEU LEU B . n B 1 221 LEU 221 352 352 LEU LEU B . n B 1 222 ASN 222 353 353 ASN ASN B . n B 1 223 ASN 223 354 354 ASN ASN B . n B 1 224 ASP 224 355 355 ASP ASP B . n B 1 225 GLY 225 356 356 GLY GLY B . n B 1 226 LEU 226 357 357 LEU LEU B . n B 1 227 SER 227 358 358 SER SER B . n B 1 228 PRO 228 359 359 PRO PRO B . n B 1 229 LEU 229 360 360 LEU LEU B . n B 1 230 MET 230 361 361 MET MET B . n B 1 231 MET 231 362 362 MET MET B . n B 1 232 ALA 232 363 363 ALA ALA B . n B 1 233 ALA 233 364 364 ALA ALA B . n B 1 234 LYS 234 365 365 LYS LYS B . n B 1 235 THR 235 366 366 THR THR B . n B 1 236 GLY 236 367 367 GLY GLY B . n B 1 237 LYS 237 368 368 LYS LYS B . n B 1 238 ILE 238 369 369 ILE ILE B . n B 1 239 GLY 239 370 370 GLY GLY B . n B 1 240 ILE 240 371 371 ILE ILE B . n B 1 241 PHE 241 372 372 PHE PHE B . n B 1 242 GLN 242 373 373 GLN GLN B . n B 1 243 HIS 243 374 374 HIS HIS B . n B 1 244 ILE 244 375 375 ILE ILE B . n B 1 245 ILE 245 376 376 ILE ILE B . n B 1 246 ARG 246 377 377 ARG ARG B . n B 1 247 ARG 247 378 378 ARG ARG B . n B 1 248 GLU 248 379 379 GLU GLU B . n B 1 249 ILE 249 380 380 ILE ILE B . n B 1 250 ALA 250 381 381 ALA ALA B . n B 1 251 ASP 251 382 382 ASP ASP B . n B 1 252 ALA 252 383 383 ALA ALA B . n B 1 253 ALA 253 384 384 ALA ALA B . n B 1 254 ALA 254 385 385 ALA ALA B . n B 1 255 HIS 255 386 386 HIS HIS B . n B 1 256 HIS 256 387 387 HIS HIS B . n B 1 257 HIS 257 388 ? ? ? B . n B 1 258 HIS 258 389 ? ? ? B . n B 1 259 HIS 259 390 ? ? ? B . n B 1 260 HIS 260 391 ? ? ? B . n C 1 1 MET 1 132 132 MET MET C . n C 1 2 LYS 2 133 133 LYS LYS C . n C 1 3 VAL 3 134 134 VAL VAL C . n C 1 4 PHE 4 135 135 PHE PHE C . n C 1 5 ASN 5 136 136 ASN ASN C . n C 1 6 ARG 6 137 137 ARG ARG C . n C 1 7 PRO 7 138 138 PRO PRO C . n C 1 8 ILE 8 139 139 ILE ILE C . n C 1 9 LEU 9 140 140 LEU LEU C . n C 1 10 PHE 10 141 141 PHE PHE C . n C 1 11 ASP 11 142 142 ASP ASP C . n C 1 12 ILE 12 143 143 ILE ILE C . n C 1 13 VAL 13 144 144 VAL VAL C . n C 1 14 SER 14 145 145 SER SER C . n C 1 15 ARG 15 146 146 ARG ARG C . n C 1 16 GLY 16 147 147 GLY GLY C . n C 1 17 SER 17 148 148 SER SER C . n C 1 18 PRO 18 149 149 PRO PRO C . n C 1 19 ASP 19 150 150 ASP ASP C . n C 1 20 GLY 20 151 151 GLY GLY C . n C 1 21 LEU 21 152 152 LEU LEU C . n C 1 22 GLU 22 153 153 GLU GLU C . n C 1 23 GLY 23 154 154 GLY GLY C . n C 1 24 LEU 24 155 155 LEU LEU C . n C 1 25 LEU 25 156 156 LEU LEU C . n C 1 26 SER 26 157 157 SER SER C . n C 1 27 PHE 27 158 158 PHE PHE C . n C 1 28 LEU 28 159 159 LEU LEU C . n C 1 29 LEU 29 160 160 LEU LEU C . n C 1 30 THR 30 161 161 THR THR C . n C 1 31 HIS 31 162 162 HIS HIS C . n C 1 32 LYS 32 163 163 LYS LYS C . n C 1 33 LYS 33 164 164 LYS LYS C . n C 1 34 ARG 34 165 165 ARG ARG C . n C 1 35 LEU 35 166 166 LEU LEU C . n C 1 36 THR 36 167 167 THR THR C . n C 1 37 ASP 37 168 168 ASP ASP C . n C 1 38 GLU 38 169 169 GLU GLU C . n C 1 39 GLU 39 170 170 GLU GLU C . n C 1 40 PHE 40 171 171 PHE PHE C . n C 1 41 ARG 41 172 172 ARG ARG C . n C 1 42 GLU 42 173 173 GLU GLU C . n C 1 43 PRO 43 174 174 PRO PRO C . n C 1 44 SER 44 175 175 SER SER C . n C 1 45 THR 45 176 176 THR THR C . n C 1 46 GLY 46 177 177 GLY GLY C . n C 1 47 LYS 47 178 178 LYS LYS C . n C 1 48 THR 48 179 179 THR THR C . n C 1 49 CYS 49 180 180 CYS CYS C . n C 1 50 LEU 50 181 181 LEU LEU C . n C 1 51 PRO 51 182 182 PRO PRO C . n C 1 52 LYS 52 183 183 LYS LYS C . n C 1 53 ALA 53 184 184 ALA ALA C . n C 1 54 LEU 54 185 185 LEU LEU C . n C 1 55 LEU 55 186 186 LEU LEU C . n C 1 56 ASN 56 187 187 ASN ASN C . n C 1 57 LEU 57 188 188 LEU LEU C . n C 1 58 SER 58 189 189 SER SER C . n C 1 59 ALA 59 190 190 ALA ALA C . n C 1 60 GLY 60 191 191 GLY GLY C . n C 1 61 ARG 61 192 192 ARG ARG C . n C 1 62 ASN 62 193 193 ASN ASN C . n C 1 63 ASP 63 194 194 ASP ASP C . n C 1 64 THR 64 195 195 THR THR C . n C 1 65 ILE 65 196 196 ILE ILE C . n C 1 66 PRO 66 197 197 PRO PRO C . n C 1 67 ILE 67 198 198 ILE ILE C . n C 1 68 LEU 68 199 199 LEU LEU C . n C 1 69 LEU 69 200 200 LEU LEU C . n C 1 70 ASP 70 201 201 ASP ASP C . n C 1 71 ILE 71 202 202 ILE ILE C . n C 1 72 ALA 72 203 203 ALA ALA C . n C 1 73 GLU 73 204 204 GLU GLU C . n C 1 74 LYS 74 205 205 LYS LYS C . n C 1 75 THR 75 206 206 THR THR C . n C 1 76 GLY 76 207 207 GLY GLY C . n C 1 77 ASN 77 208 208 ASN ASN C . n C 1 78 MET 78 209 209 MET MET C . n C 1 79 ARG 79 210 210 ARG ARG C . n C 1 80 GLU 80 211 211 GLU GLU C . n C 1 81 PHE 81 212 212 PHE PHE C . n C 1 82 ILE 82 213 213 ILE ILE C . n C 1 83 ASN 83 214 214 ASN ASN C . n C 1 84 SER 84 215 215 SER SER C . n C 1 85 PRO 85 216 216 PRO PRO C . n C 1 86 PHE 86 217 217 PHE PHE C . n C 1 87 ARG 87 218 218 ARG ARG C . n C 1 88 ASP 88 219 219 ASP ASP C . n C 1 89 VAL 89 220 220 VAL VAL C . n C 1 90 TYR 90 221 221 TYR TYR C . n C 1 91 TYR 91 222 222 TYR TYR C . n C 1 92 ARG 92 223 223 ARG ARG C . n C 1 93 GLY 93 224 224 GLY GLY C . n C 1 94 GLN 94 225 225 GLN GLN C . n C 1 95 THR 95 226 226 THR THR C . n C 1 96 ALA 96 227 227 ALA ALA C . n C 1 97 LEU 97 228 228 LEU LEU C . n C 1 98 HIS 98 229 229 HIS HIS C . n C 1 99 ILE 99 230 230 ILE ILE C . n C 1 100 ALA 100 231 231 ALA ALA C . n C 1 101 ILE 101 232 232 ILE ILE C . n C 1 102 GLU 102 233 233 GLU GLU C . n C 1 103 ARG 103 234 234 ARG ARG C . n C 1 104 ARG 104 235 235 ARG ARG C . n C 1 105 CYS 105 236 236 CYS CYS C . n C 1 106 LYS 106 237 237 LYS LYS C . n C 1 107 HIS 107 238 238 HIS HIS C . n C 1 108 TYR 108 239 239 TYR TYR C . n C 1 109 VAL 109 240 240 VAL VAL C . n C 1 110 GLU 110 241 241 GLU GLU C . n C 1 111 LEU 111 242 242 LEU LEU C . n C 1 112 LEU 112 243 243 LEU LEU C . n C 1 113 VAL 113 244 244 VAL VAL C . n C 1 114 GLU 114 245 245 GLU GLU C . n C 1 115 LYS 115 246 246 LYS LYS C . n C 1 116 GLY 116 247 247 GLY GLY C . n C 1 117 ALA 117 248 248 ALA ALA C . n C 1 118 ASP 118 249 249 ASP ASP C . n C 1 119 VAL 119 250 250 VAL VAL C . n C 1 120 HIS 120 251 251 HIS HIS C . n C 1 121 ALA 121 252 252 ALA ALA C . n C 1 122 GLN 122 253 253 GLN GLN C . n C 1 123 ALA 123 254 254 ALA ALA C . n C 1 124 ARG 124 255 255 ARG ARG C . n C 1 125 GLY 125 256 256 GLY GLY C . n C 1 126 ARG 126 257 257 ARG ARG C . n C 1 127 PHE 127 258 258 PHE PHE C . n C 1 128 PHE 128 259 ? ? ? C . n C 1 129 GLN 129 260 ? ? ? C . n C 1 130 PRO 130 261 ? ? ? C . n C 1 131 LYS 131 262 ? ? ? C . n C 1 132 ASP 132 263 ? ? ? C . n C 1 133 GLU 133 264 ? ? ? C . n C 1 134 GLY 134 265 ? ? ? C . n C 1 135 GLY 135 266 ? ? ? C . n C 1 136 TYR 136 267 267 TYR TYR C . n C 1 137 PHE 137 268 268 PHE PHE C . n C 1 138 TYR 138 269 269 TYR TYR C . n C 1 139 PHE 139 270 270 PHE PHE C . n C 1 140 GLY 140 271 271 GLY GLY C . n C 1 141 GLU 141 272 272 GLU GLU C . n C 1 142 LEU 142 273 273 LEU LEU C . n C 1 143 PRO 143 274 274 PRO PRO C . n C 1 144 LEU 144 275 275 LEU LEU C . n C 1 145 SER 145 276 276 SER SER C . n C 1 146 LEU 146 277 277 LEU LEU C . n C 1 147 ALA 147 278 278 ALA ALA C . n C 1 148 ALA 148 279 279 ALA ALA C . n C 1 149 CYS 149 280 280 CYS CYS C . n C 1 150 THR 150 281 281 THR THR C . n C 1 151 ASN 151 282 282 ASN ASN C . n C 1 152 GLN 152 283 283 GLN GLN C . n C 1 153 PRO 153 284 284 PRO PRO C . n C 1 154 HIS 154 285 285 HIS HIS C . n C 1 155 ILE 155 286 286 ILE ILE C . n C 1 156 VAL 156 287 287 VAL VAL C . n C 1 157 HIS 157 288 288 HIS HIS C . n C 1 158 TYR 158 289 289 TYR TYR C . n C 1 159 LEU 159 290 290 LEU LEU C . n C 1 160 THR 160 291 291 THR THR C . n C 1 161 GLU 161 292 292 GLU GLU C . n C 1 162 ASN 162 293 293 ASN ASN C . n C 1 163 GLY 163 294 294 GLY GLY C . n C 1 164 HIS 164 295 295 HIS HIS C . n C 1 165 LYS 165 296 296 LYS LYS C . n C 1 166 GLN 166 297 297 GLN GLN C . n C 1 167 ALA 167 298 298 ALA ALA C . n C 1 168 ASP 168 299 299 ASP ASP C . n C 1 169 LEU 169 300 300 LEU LEU C . n C 1 170 ARG 170 301 301 ARG ARG C . n C 1 171 ARG 171 302 302 ARG ARG C . n C 1 172 GLN 172 303 303 GLN GLN C . n C 1 173 ASP 173 304 304 ASP ASP C . n C 1 174 SER 174 305 305 SER SER C . n C 1 175 ARG 175 306 306 ARG ARG C . n C 1 176 GLY 176 307 307 GLY GLY C . n C 1 177 ASN 177 308 308 ASN ASN C . n C 1 178 THR 178 309 309 THR THR C . n C 1 179 VAL 179 310 310 VAL VAL C . n C 1 180 LEU 180 311 311 LEU LEU C . n C 1 181 HIS 181 312 312 HIS HIS C . n C 1 182 ALA 182 313 313 ALA ALA C . n C 1 183 LEU 183 314 314 LEU LEU C . n C 1 184 VAL 184 315 315 VAL VAL C . n C 1 185 ALA 185 316 316 ALA ALA C . n C 1 186 ILE 186 317 317 ILE ILE C . n C 1 187 ALA 187 318 318 ALA ALA C . n C 1 188 ASP 188 319 319 ASP ASP C . n C 1 189 ASN 189 320 320 ASN ASN C . n C 1 190 THR 190 321 321 THR THR C . n C 1 191 ARG 191 322 322 ARG ARG C . n C 1 192 GLU 192 323 323 GLU GLU C . n C 1 193 ASN 193 324 324 ASN ASN C . n C 1 194 THR 194 325 325 THR THR C . n C 1 195 LYS 195 326 326 LYS LYS C . n C 1 196 PHE 196 327 327 PHE PHE C . n C 1 197 VAL 197 328 328 VAL VAL C . n C 1 198 THR 198 329 329 THR THR C . n C 1 199 LYS 199 330 330 LYS LYS C . n C 1 200 MET 200 331 331 MET MET C . n C 1 201 TYR 201 332 332 TYR TYR C . n C 1 202 ASP 202 333 333 ASP ASP C . n C 1 203 LEU 203 334 334 LEU LEU C . n C 1 204 LEU 204 335 335 LEU LEU C . n C 1 205 LEU 205 336 336 LEU LEU C . n C 1 206 ILE 206 337 337 ILE ILE C . n C 1 207 LYS 207 338 338 LYS LYS C . n C 1 208 CYS 208 339 339 CYS CYS C . n C 1 209 ALA 209 340 340 ALA ALA C . n C 1 210 LYS 210 341 341 LYS LYS C . n C 1 211 LEU 211 342 342 LEU LEU C . n C 1 212 PHE 212 343 343 PHE PHE C . n C 1 213 PRO 213 344 344 PRO PRO C . n C 1 214 ASP 214 345 345 ASP ASP C . n C 1 215 THR 215 346 346 THR THR C . n C 1 216 ASN 216 347 347 ASN ASN C . n C 1 217 LEU 217 348 348 LEU LEU C . n C 1 218 GLU 218 349 349 GLU GLU C . n C 1 219 ALA 219 350 350 ALA ALA C . n C 1 220 LEU 220 351 351 LEU LEU C . n C 1 221 LEU 221 352 352 LEU LEU C . n C 1 222 ASN 222 353 353 ASN ASN C . n C 1 223 ASN 223 354 354 ASN ASN C . n C 1 224 ASP 224 355 355 ASP ASP C . n C 1 225 GLY 225 356 356 GLY GLY C . n C 1 226 LEU 226 357 357 LEU LEU C . n C 1 227 SER 227 358 358 SER SER C . n C 1 228 PRO 228 359 359 PRO PRO C . n C 1 229 LEU 229 360 360 LEU LEU C . n C 1 230 MET 230 361 361 MET MET C . n C 1 231 MET 231 362 362 MET MET C . n C 1 232 ALA 232 363 363 ALA ALA C . n C 1 233 ALA 233 364 364 ALA ALA C . n C 1 234 LYS 234 365 365 LYS LYS C . n C 1 235 THR 235 366 366 THR THR C . n C 1 236 GLY 236 367 367 GLY GLY C . n C 1 237 LYS 237 368 368 LYS LYS C . n C 1 238 ILE 238 369 369 ILE ILE C . n C 1 239 GLY 239 370 370 GLY GLY C . n C 1 240 ILE 240 371 371 ILE ILE C . n C 1 241 PHE 241 372 372 PHE PHE C . n C 1 242 GLN 242 373 373 GLN GLN C . n C 1 243 HIS 243 374 374 HIS HIS C . n C 1 244 ILE 244 375 375 ILE ILE C . n C 1 245 ILE 245 376 376 ILE ILE C . n C 1 246 ARG 246 377 377 ARG ARG C . n C 1 247 ARG 247 378 378 ARG ARG C . n C 1 248 GLU 248 379 379 GLU GLU C . n C 1 249 ILE 249 380 380 ILE ILE C . n C 1 250 ALA 250 381 381 ALA ALA C . n C 1 251 ASP 251 382 382 ASP ASP C . n C 1 252 ALA 252 383 383 ALA ALA C . n C 1 253 ALA 253 384 384 ALA ALA C . n C 1 254 ALA 254 385 385 ALA ALA C . n C 1 255 HIS 255 386 386 HIS HIS C . n C 1 256 HIS 256 387 387 HIS HIS C . n C 1 257 HIS 257 388 388 HIS HIS C . n C 1 258 HIS 258 389 ? ? ? C . n C 1 259 HIS 259 390 ? ? ? C . n C 1 260 HIS 260 391 ? ? ? C . n D 1 1 MET 1 132 132 MET MET D . n D 1 2 LYS 2 133 133 LYS LYS D . n D 1 3 VAL 3 134 134 VAL VAL D . n D 1 4 PHE 4 135 135 PHE PHE D . n D 1 5 ASN 5 136 136 ASN ASN D . n D 1 6 ARG 6 137 137 ARG ARG D . n D 1 7 PRO 7 138 138 PRO PRO D . n D 1 8 ILE 8 139 139 ILE ILE D . n D 1 9 LEU 9 140 140 LEU LEU D . n D 1 10 PHE 10 141 141 PHE PHE D . n D 1 11 ASP 11 142 142 ASP ASP D . n D 1 12 ILE 12 143 143 ILE ILE D . n D 1 13 VAL 13 144 144 VAL VAL D . n D 1 14 SER 14 145 145 SER SER D . n D 1 15 ARG 15 146 146 ARG ARG D . n D 1 16 GLY 16 147 147 GLY GLY D . n D 1 17 SER 17 148 148 SER SER D . n D 1 18 PRO 18 149 149 PRO PRO D . n D 1 19 ASP 19 150 150 ASP ASP D . n D 1 20 GLY 20 151 151 GLY GLY D . n D 1 21 LEU 21 152 152 LEU LEU D . n D 1 22 GLU 22 153 153 GLU GLU D . n D 1 23 GLY 23 154 154 GLY GLY D . n D 1 24 LEU 24 155 155 LEU LEU D . n D 1 25 LEU 25 156 156 LEU LEU D . n D 1 26 SER 26 157 157 SER SER D . n D 1 27 PHE 27 158 158 PHE PHE D . n D 1 28 LEU 28 159 159 LEU LEU D . n D 1 29 LEU 29 160 160 LEU LEU D . n D 1 30 THR 30 161 161 THR THR D . n D 1 31 HIS 31 162 162 HIS HIS D . n D 1 32 LYS 32 163 163 LYS LYS D . n D 1 33 LYS 33 164 164 LYS LYS D . n D 1 34 ARG 34 165 165 ARG ARG D . n D 1 35 LEU 35 166 166 LEU LEU D . n D 1 36 THR 36 167 167 THR THR D . n D 1 37 ASP 37 168 168 ASP ASP D . n D 1 38 GLU 38 169 169 GLU GLU D . n D 1 39 GLU 39 170 170 GLU GLU D . n D 1 40 PHE 40 171 171 PHE PHE D . n D 1 41 ARG 41 172 172 ARG ARG D . n D 1 42 GLU 42 173 173 GLU GLU D . n D 1 43 PRO 43 174 174 PRO PRO D . n D 1 44 SER 44 175 175 SER SER D . n D 1 45 THR 45 176 176 THR THR D . n D 1 46 GLY 46 177 177 GLY GLY D . n D 1 47 LYS 47 178 178 LYS LYS D . n D 1 48 THR 48 179 179 THR THR D . n D 1 49 CYS 49 180 180 CYS CYS D . n D 1 50 LEU 50 181 181 LEU LEU D . n D 1 51 PRO 51 182 182 PRO PRO D . n D 1 52 LYS 52 183 183 LYS LYS D . n D 1 53 ALA 53 184 184 ALA ALA D . n D 1 54 LEU 54 185 185 LEU LEU D . n D 1 55 LEU 55 186 186 LEU LEU D . n D 1 56 ASN 56 187 187 ASN ASN D . n D 1 57 LEU 57 188 188 LEU LEU D . n D 1 58 SER 58 189 189 SER SER D . n D 1 59 ALA 59 190 190 ALA ALA D . n D 1 60 GLY 60 191 191 GLY GLY D . n D 1 61 ARG 61 192 192 ARG ARG D . n D 1 62 ASN 62 193 193 ASN ASN D . n D 1 63 ASP 63 194 194 ASP ASP D . n D 1 64 THR 64 195 195 THR THR D . n D 1 65 ILE 65 196 196 ILE ILE D . n D 1 66 PRO 66 197 197 PRO PRO D . n D 1 67 ILE 67 198 198 ILE ILE D . n D 1 68 LEU 68 199 199 LEU LEU D . n D 1 69 LEU 69 200 200 LEU LEU D . n D 1 70 ASP 70 201 201 ASP ASP D . n D 1 71 ILE 71 202 202 ILE ILE D . n D 1 72 ALA 72 203 203 ALA ALA D . n D 1 73 GLU 73 204 204 GLU GLU D . n D 1 74 LYS 74 205 205 LYS LYS D . n D 1 75 THR 75 206 206 THR THR D . n D 1 76 GLY 76 207 207 GLY GLY D . n D 1 77 ASN 77 208 208 ASN ASN D . n D 1 78 MET 78 209 209 MET MET D . n D 1 79 ARG 79 210 210 ARG ARG D . n D 1 80 GLU 80 211 211 GLU GLU D . n D 1 81 PHE 81 212 212 PHE PHE D . n D 1 82 ILE 82 213 213 ILE ILE D . n D 1 83 ASN 83 214 214 ASN ASN D . n D 1 84 SER 84 215 215 SER SER D . n D 1 85 PRO 85 216 216 PRO PRO D . n D 1 86 PHE 86 217 217 PHE PHE D . n D 1 87 ARG 87 218 218 ARG ARG D . n D 1 88 ASP 88 219 219 ASP ASP D . n D 1 89 VAL 89 220 220 VAL VAL D . n D 1 90 TYR 90 221 221 TYR TYR D . n D 1 91 TYR 91 222 222 TYR TYR D . n D 1 92 ARG 92 223 223 ARG ARG D . n D 1 93 GLY 93 224 224 GLY GLY D . n D 1 94 GLN 94 225 225 GLN GLN D . n D 1 95 THR 95 226 226 THR THR D . n D 1 96 ALA 96 227 227 ALA ALA D . n D 1 97 LEU 97 228 228 LEU LEU D . n D 1 98 HIS 98 229 229 HIS HIS D . n D 1 99 ILE 99 230 230 ILE ILE D . n D 1 100 ALA 100 231 231 ALA ALA D . n D 1 101 ILE 101 232 232 ILE ILE D . n D 1 102 GLU 102 233 233 GLU GLU D . n D 1 103 ARG 103 234 234 ARG ARG D . n D 1 104 ARG 104 235 235 ARG ARG D . n D 1 105 CYS 105 236 236 CYS CYS D . n D 1 106 LYS 106 237 237 LYS LYS D . n D 1 107 HIS 107 238 238 HIS HIS D . n D 1 108 TYR 108 239 239 TYR TYR D . n D 1 109 VAL 109 240 240 VAL VAL D . n D 1 110 GLU 110 241 241 GLU GLU D . n D 1 111 LEU 111 242 242 LEU LEU D . n D 1 112 LEU 112 243 243 LEU LEU D . n D 1 113 VAL 113 244 244 VAL VAL D . n D 1 114 GLU 114 245 245 GLU GLU D . n D 1 115 LYS 115 246 246 LYS LYS D . n D 1 116 GLY 116 247 247 GLY GLY D . n D 1 117 ALA 117 248 248 ALA ALA D . n D 1 118 ASP 118 249 249 ASP ASP D . n D 1 119 VAL 119 250 250 VAL VAL D . n D 1 120 HIS 120 251 251 HIS HIS D . n D 1 121 ALA 121 252 252 ALA ALA D . n D 1 122 GLN 122 253 253 GLN GLN D . n D 1 123 ALA 123 254 254 ALA ALA D . n D 1 124 ARG 124 255 255 ARG ARG D . n D 1 125 GLY 125 256 256 GLY GLY D . n D 1 126 ARG 126 257 257 ARG ARG D . n D 1 127 PHE 127 258 258 PHE PHE D . n D 1 128 PHE 128 259 ? ? ? D . n D 1 129 GLN 129 260 ? ? ? D . n D 1 130 PRO 130 261 ? ? ? D . n D 1 131 LYS 131 262 ? ? ? D . n D 1 132 ASP 132 263 ? ? ? D . n D 1 133 GLU 133 264 ? ? ? D . n D 1 134 GLY 134 265 ? ? ? D . n D 1 135 GLY 135 266 ? ? ? D . n D 1 136 TYR 136 267 267 TYR TYR D . n D 1 137 PHE 137 268 268 PHE PHE D . n D 1 138 TYR 138 269 269 TYR TYR D . n D 1 139 PHE 139 270 270 PHE PHE D . n D 1 140 GLY 140 271 271 GLY GLY D . n D 1 141 GLU 141 272 272 GLU GLU D . n D 1 142 LEU 142 273 273 LEU LEU D . n D 1 143 PRO 143 274 274 PRO PRO D . n D 1 144 LEU 144 275 275 LEU LEU D . n D 1 145 SER 145 276 276 SER SER D . n D 1 146 LEU 146 277 277 LEU LEU D . n D 1 147 ALA 147 278 278 ALA ALA D . n D 1 148 ALA 148 279 279 ALA ALA D . n D 1 149 CYS 149 280 280 CYS CYS D . n D 1 150 THR 150 281 281 THR THR D . n D 1 151 ASN 151 282 282 ASN ASN D . n D 1 152 GLN 152 283 283 GLN GLN D . n D 1 153 PRO 153 284 284 PRO PRO D . n D 1 154 HIS 154 285 285 HIS HIS D . n D 1 155 ILE 155 286 286 ILE ILE D . n D 1 156 VAL 156 287 287 VAL VAL D . n D 1 157 HIS 157 288 288 HIS HIS D . n D 1 158 TYR 158 289 289 TYR TYR D . n D 1 159 LEU 159 290 290 LEU LEU D . n D 1 160 THR 160 291 291 THR THR D . n D 1 161 GLU 161 292 292 GLU GLU D . n D 1 162 ASN 162 293 293 ASN ASN D . n D 1 163 GLY 163 294 294 GLY GLY D . n D 1 164 HIS 164 295 295 HIS HIS D . n D 1 165 LYS 165 296 296 LYS LYS D . n D 1 166 GLN 166 297 297 GLN GLN D . n D 1 167 ALA 167 298 298 ALA ALA D . n D 1 168 ASP 168 299 299 ASP ASP D . n D 1 169 LEU 169 300 300 LEU LEU D . n D 1 170 ARG 170 301 301 ARG ARG D . n D 1 171 ARG 171 302 302 ARG ARG D . n D 1 172 GLN 172 303 303 GLN GLN D . n D 1 173 ASP 173 304 304 ASP ASP D . n D 1 174 SER 174 305 305 SER SER D . n D 1 175 ARG 175 306 306 ARG ARG D . n D 1 176 GLY 176 307 307 GLY GLY D . n D 1 177 ASN 177 308 308 ASN ASN D . n D 1 178 THR 178 309 309 THR THR D . n D 1 179 VAL 179 310 310 VAL VAL D . n D 1 180 LEU 180 311 311 LEU LEU D . n D 1 181 HIS 181 312 312 HIS HIS D . n D 1 182 ALA 182 313 313 ALA ALA D . n D 1 183 LEU 183 314 314 LEU LEU D . n D 1 184 VAL 184 315 315 VAL VAL D . n D 1 185 ALA 185 316 316 ALA ALA D . n D 1 186 ILE 186 317 317 ILE ILE D . n D 1 187 ALA 187 318 318 ALA ALA D . n D 1 188 ASP 188 319 319 ASP ASP D . n D 1 189 ASN 189 320 320 ASN ASN D . n D 1 190 THR 190 321 321 THR THR D . n D 1 191 ARG 191 322 322 ARG ARG D . n D 1 192 GLU 192 323 323 GLU GLU D . n D 1 193 ASN 193 324 324 ASN ASN D . n D 1 194 THR 194 325 325 THR THR D . n D 1 195 LYS 195 326 326 LYS LYS D . n D 1 196 PHE 196 327 327 PHE PHE D . n D 1 197 VAL 197 328 328 VAL VAL D . n D 1 198 THR 198 329 329 THR THR D . n D 1 199 LYS 199 330 330 LYS LYS D . n D 1 200 MET 200 331 331 MET MET D . n D 1 201 TYR 201 332 332 TYR TYR D . n D 1 202 ASP 202 333 333 ASP ASP D . n D 1 203 LEU 203 334 334 LEU LEU D . n D 1 204 LEU 204 335 335 LEU LEU D . n D 1 205 LEU 205 336 336 LEU LEU D . n D 1 206 ILE 206 337 337 ILE ILE D . n D 1 207 LYS 207 338 338 LYS LYS D . n D 1 208 CYS 208 339 339 CYS CYS D . n D 1 209 ALA 209 340 340 ALA ALA D . n D 1 210 LYS 210 341 341 LYS LYS D . n D 1 211 LEU 211 342 342 LEU LEU D . n D 1 212 PHE 212 343 343 PHE PHE D . n D 1 213 PRO 213 344 344 PRO PRO D . n D 1 214 ASP 214 345 345 ASP ASP D . n D 1 215 THR 215 346 346 THR THR D . n D 1 216 ASN 216 347 347 ASN ASN D . n D 1 217 LEU 217 348 348 LEU LEU D . n D 1 218 GLU 218 349 349 GLU GLU D . n D 1 219 ALA 219 350 350 ALA ALA D . n D 1 220 LEU 220 351 351 LEU LEU D . n D 1 221 LEU 221 352 352 LEU LEU D . n D 1 222 ASN 222 353 353 ASN ASN D . n D 1 223 ASN 223 354 354 ASN ASN D . n D 1 224 ASP 224 355 355 ASP ASP D . n D 1 225 GLY 225 356 356 GLY GLY D . n D 1 226 LEU 226 357 357 LEU LEU D . n D 1 227 SER 227 358 358 SER SER D . n D 1 228 PRO 228 359 359 PRO PRO D . n D 1 229 LEU 229 360 360 LEU LEU D . n D 1 230 MET 230 361 361 MET MET D . n D 1 231 MET 231 362 362 MET MET D . n D 1 232 ALA 232 363 363 ALA ALA D . n D 1 233 ALA 233 364 364 ALA ALA D . n D 1 234 LYS 234 365 365 LYS LYS D . n D 1 235 THR 235 366 366 THR THR D . n D 1 236 GLY 236 367 367 GLY GLY D . n D 1 237 LYS 237 368 368 LYS LYS D . n D 1 238 ILE 238 369 369 ILE ILE D . n D 1 239 GLY 239 370 370 GLY GLY D . n D 1 240 ILE 240 371 371 ILE ILE D . n D 1 241 PHE 241 372 372 PHE PHE D . n D 1 242 GLN 242 373 373 GLN GLN D . n D 1 243 HIS 243 374 374 HIS HIS D . n D 1 244 ILE 244 375 375 ILE ILE D . n D 1 245 ILE 245 376 376 ILE ILE D . n D 1 246 ARG 246 377 377 ARG ARG D . n D 1 247 ARG 247 378 378 ARG ARG D . n D 1 248 GLU 248 379 379 GLU GLU D . n D 1 249 ILE 249 380 380 ILE ILE D . n D 1 250 ALA 250 381 381 ALA ALA D . n D 1 251 ASP 251 382 382 ASP ASP D . n D 1 252 ALA 252 383 383 ALA ALA D . n D 1 253 ALA 253 384 384 ALA ALA D . n D 1 254 ALA 254 385 385 ALA ALA D . n D 1 255 HIS 255 386 386 HIS HIS D . n D 1 256 HIS 256 387 387 HIS HIS D . n D 1 257 HIS 257 388 388 HIS HIS D . n D 1 258 HIS 258 389 ? ? ? D . n D 1 259 HIS 259 390 ? ? ? D . n D 1 260 HIS 260 391 ? ? ? D . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code E 2 HOH 1 2 2 HOH HOH A . E 2 HOH 2 4 4 HOH HOH A . E 2 HOH 3 6 6 HOH HOH A . E 2 HOH 4 10 10 HOH HOH A . E 2 HOH 5 11 11 HOH HOH A . E 2 HOH 6 12 12 HOH HOH A . E 2 HOH 7 13 13 HOH HOH A . E 2 HOH 8 15 15 HOH HOH A . E 2 HOH 9 22 22 HOH HOH A . E 2 HOH 10 24 24 HOH HOH A . E 2 HOH 11 25 25 HOH HOH A . E 2 HOH 12 26 26 HOH HOH A . E 2 HOH 13 28 28 HOH HOH A . E 2 HOH 14 31 31 HOH HOH A . E 2 HOH 15 32 32 HOH HOH A . E 2 HOH 16 33 33 HOH HOH A . E 2 HOH 17 39 39 HOH HOH A . E 2 HOH 18 40 40 HOH HOH A . E 2 HOH 19 42 42 HOH HOH A . E 2 HOH 20 47 47 HOH HOH A . E 2 HOH 21 51 51 HOH HOH A . E 2 HOH 22 52 52 HOH HOH A . E 2 HOH 23 53 53 HOH HOH A . E 2 HOH 24 54 54 HOH HOH A . E 2 HOH 25 60 60 HOH HOH A . E 2 HOH 26 61 61 HOH HOH A . E 2 HOH 27 69 69 HOH HOH A . E 2 HOH 28 77 77 HOH HOH A . E 2 HOH 29 78 78 HOH HOH A . E 2 HOH 30 94 94 HOH HOH A . E 2 HOH 31 98 98 HOH HOH A . E 2 HOH 32 102 102 HOH HOH A . E 2 HOH 33 105 105 HOH HOH A . E 2 HOH 34 110 110 HOH HOH A . E 2 HOH 35 116 116 HOH HOH A . E 2 HOH 36 122 122 HOH HOH A . E 2 HOH 37 129 129 HOH HOH A . E 2 HOH 38 131 131 HOH HOH A . E 2 HOH 39 392 132 HOH HOH A . E 2 HOH 40 393 137 HOH HOH A . E 2 HOH 41 394 141 HOH HOH A . E 2 HOH 42 395 150 HOH HOH A . E 2 HOH 43 396 156 HOH HOH A . E 2 HOH 44 397 158 HOH HOH A . E 2 HOH 45 398 160 HOH HOH A . E 2 HOH 46 399 162 HOH HOH A . E 2 HOH 47 400 164 HOH HOH A . E 2 HOH 48 401 170 HOH HOH A . E 2 HOH 49 402 174 HOH HOH A . E 2 HOH 50 403 201 HOH HOH A . E 2 HOH 51 404 202 HOH HOH A . E 2 HOH 52 405 204 HOH HOH A . E 2 HOH 53 406 205 HOH HOH A . E 2 HOH 54 407 216 HOH HOH A . E 2 HOH 55 408 223 HOH HOH A . E 2 HOH 56 409 409 HOH HOH A . E 2 HOH 57 410 228 HOH HOH A . E 2 HOH 58 411 237 HOH HOH A . E 2 HOH 59 412 245 HOH HOH A . E 2 HOH 60 413 256 HOH HOH A . E 2 HOH 61 414 264 HOH HOH A . E 2 HOH 62 415 283 HOH HOH A . E 2 HOH 63 416 284 HOH HOH A . E 2 HOH 64 417 285 HOH HOH A . E 2 HOH 65 418 287 HOH HOH A . E 2 HOH 66 419 289 HOH HOH A . E 2 HOH 67 420 290 HOH HOH A . E 2 HOH 68 421 298 HOH HOH A . E 2 HOH 69 422 309 HOH HOH A . E 2 HOH 70 423 423 HOH HOH A . E 2 HOH 71 424 314 HOH HOH A . E 2 HOH 72 425 320 HOH HOH A . E 2 HOH 73 426 325 HOH HOH A . E 2 HOH 74 427 427 HOH HOH A . E 2 HOH 75 428 327 HOH HOH A . E 2 HOH 76 429 330 HOH HOH A . E 2 HOH 77 430 333 HOH HOH A . E 2 HOH 78 431 348 HOH HOH A . E 2 HOH 79 432 364 HOH HOH A . E 2 HOH 80 433 379 HOH HOH A . E 2 HOH 81 434 389 HOH HOH A . E 2 HOH 82 454 454 HOH HOH A . E 2 HOH 83 489 489 HOH HOH A . E 2 HOH 84 490 490 HOH HOH A . E 2 HOH 85 505 505 HOH HOH A . E 2 HOH 86 524 524 HOH HOH A . E 2 HOH 87 531 531 HOH HOH A . E 2 HOH 88 533 533 HOH HOH A . E 2 HOH 89 534 534 HOH HOH A . E 2 HOH 90 535 535 HOH HOH A . E 2 HOH 91 541 541 HOH HOH A . E 2 HOH 92 543 543 HOH HOH A . E 2 HOH 93 545 545 HOH HOH A . E 2 HOH 94 547 547 HOH HOH A . E 2 HOH 95 549 549 HOH HOH A . E 2 HOH 96 550 550 HOH HOH A . E 2 HOH 97 559 559 HOH HOH A . E 2 HOH 98 560 560 HOH HOH A . E 2 HOH 99 562 562 HOH HOH A . E 2 HOH 100 563 563 HOH HOH A . E 2 HOH 101 564 564 HOH HOH A . E 2 HOH 102 565 565 HOH HOH A . E 2 HOH 103 567 567 HOH HOH A . E 2 HOH 104 571 571 HOH HOH A . E 2 HOH 105 573 573 HOH HOH A . E 2 HOH 106 574 574 HOH HOH A . E 2 HOH 107 580 580 HOH HOH A . E 2 HOH 108 584 584 HOH HOH A . E 2 HOH 109 586 586 HOH HOH A . E 2 HOH 110 588 588 HOH HOH A . E 2 HOH 111 591 591 HOH HOH A . E 2 HOH 112 596 596 HOH HOH A . E 2 HOH 113 601 601 HOH HOH A . E 2 HOH 114 603 603 HOH HOH A . E 2 HOH 115 615 615 HOH HOH A . E 2 HOH 116 620 620 HOH HOH A . E 2 HOH 117 621 621 HOH HOH A . E 2 HOH 118 623 623 HOH HOH A . E 2 HOH 119 625 625 HOH HOH A . E 2 HOH 120 626 626 HOH HOH A . E 2 HOH 121 630 630 HOH HOH A . E 2 HOH 122 631 631 HOH HOH A . E 2 HOH 123 634 634 HOH HOH A . E 2 HOH 124 638 638 HOH HOH A . E 2 HOH 125 640 640 HOH HOH A . E 2 HOH 126 641 641 HOH HOH A . E 2 HOH 127 642 642 HOH HOH A . E 2 HOH 128 644 644 HOH HOH A . E 2 HOH 129 645 645 HOH HOH A . E 2 HOH 130 647 647 HOH HOH A . E 2 HOH 131 650 650 HOH HOH A . E 2 HOH 132 656 656 HOH HOH A . E 2 HOH 133 658 658 HOH HOH A . E 2 HOH 134 663 663 HOH HOH A . E 2 HOH 135 670 670 HOH HOH A . E 2 HOH 136 677 677 HOH HOH A . E 2 HOH 137 678 678 HOH HOH A . E 2 HOH 138 679 679 HOH HOH A . E 2 HOH 139 680 680 HOH HOH A . E 2 HOH 140 682 682 HOH HOH A . E 2 HOH 141 701 701 HOH HOH A . E 2 HOH 142 709 709 HOH HOH A . E 2 HOH 143 714 714 HOH HOH A . E 2 HOH 144 719 719 HOH HOH A . E 2 HOH 145 725 725 HOH HOH A . E 2 HOH 146 726 726 HOH HOH A . E 2 HOH 147 729 729 HOH HOH A . E 2 HOH 148 730 730 HOH HOH A . E 2 HOH 149 735 735 HOH HOH A . E 2 HOH 150 736 736 HOH HOH A . E 2 HOH 151 737 737 HOH HOH A . E 2 HOH 152 739 739 HOH HOH A . E 2 HOH 153 741 741 HOH HOH A . E 2 HOH 154 752 752 HOH HOH A . E 2 HOH 155 755 755 HOH HOH A . E 2 HOH 156 756 756 HOH HOH A . E 2 HOH 157 760 760 HOH HOH A . E 2 HOH 158 761 761 HOH HOH A . E 2 HOH 159 765 765 HOH HOH A . E 2 HOH 160 774 774 HOH HOH A . E 2 HOH 161 779 779 HOH HOH A . E 2 HOH 162 782 782 HOH HOH A . E 2 HOH 163 791 791 HOH HOH A . E 2 HOH 164 792 792 HOH HOH A . E 2 HOH 165 795 795 HOH HOH A . E 2 HOH 166 796 796 HOH HOH A . E 2 HOH 167 797 797 HOH HOH A . E 2 HOH 168 798 798 HOH HOH A . E 2 HOH 169 799 799 HOH HOH A . E 2 HOH 170 801 801 HOH HOH A . E 2 HOH 171 806 806 HOH HOH A . F 2 HOH 1 1 1 HOH HOH B . F 2 HOH 2 3 3 HOH HOH B . F 2 HOH 3 5 5 HOH HOH B . F 2 HOH 4 7 7 HOH HOH B . F 2 HOH 5 9 9 HOH HOH B . F 2 HOH 6 16 16 HOH HOH B . F 2 HOH 7 17 17 HOH HOH B . F 2 HOH 8 19 19 HOH HOH B . F 2 HOH 9 29 29 HOH HOH B . F 2 HOH 10 34 34 HOH HOH B . F 2 HOH 11 35 35 HOH HOH B . F 2 HOH 12 38 38 HOH HOH B . F 2 HOH 13 43 43 HOH HOH B . F 2 HOH 14 44 44 HOH HOH B . F 2 HOH 15 45 45 HOH HOH B . F 2 HOH 16 46 46 HOH HOH B . F 2 HOH 17 48 48 HOH HOH B . F 2 HOH 18 49 49 HOH HOH B . F 2 HOH 19 56 56 HOH HOH B . F 2 HOH 20 62 62 HOH HOH B . F 2 HOH 21 63 63 HOH HOH B . F 2 HOH 22 64 64 HOH HOH B . F 2 HOH 23 65 65 HOH HOH B . F 2 HOH 24 68 68 HOH HOH B . F 2 HOH 25 71 71 HOH HOH B . F 2 HOH 26 72 72 HOH HOH B . F 2 HOH 27 76 76 HOH HOH B . F 2 HOH 28 79 79 HOH HOH B . F 2 HOH 29 80 80 HOH HOH B . F 2 HOH 30 81 81 HOH HOH B . F 2 HOH 31 83 83 HOH HOH B . F 2 HOH 32 86 86 HOH HOH B . F 2 HOH 33 89 89 HOH HOH B . F 2 HOH 34 91 91 HOH HOH B . F 2 HOH 35 92 92 HOH HOH B . F 2 HOH 36 96 96 HOH HOH B . F 2 HOH 37 99 99 HOH HOH B . F 2 HOH 38 100 100 HOH HOH B . F 2 HOH 39 113 113 HOH HOH B . F 2 HOH 40 114 114 HOH HOH B . F 2 HOH 41 118 118 HOH HOH B . F 2 HOH 42 120 120 HOH HOH B . F 2 HOH 43 121 121 HOH HOH B . F 2 HOH 44 123 123 HOH HOH B . F 2 HOH 45 124 124 HOH HOH B . F 2 HOH 46 128 128 HOH HOH B . F 2 HOH 47 392 136 HOH HOH B . F 2 HOH 48 393 138 HOH HOH B . F 2 HOH 49 394 144 HOH HOH B . F 2 HOH 50 395 159 HOH HOH B . F 2 HOH 51 396 173 HOH HOH B . F 2 HOH 52 397 180 HOH HOH B . F 2 HOH 53 398 182 HOH HOH B . F 2 HOH 54 399 188 HOH HOH B . F 2 HOH 55 400 189 HOH HOH B . F 2 HOH 56 401 198 HOH HOH B . F 2 HOH 57 402 200 HOH HOH B . F 2 HOH 58 403 209 HOH HOH B . F 2 HOH 59 404 211 HOH HOH B . F 2 HOH 60 405 213 HOH HOH B . F 2 HOH 61 406 218 HOH HOH B . F 2 HOH 62 407 221 HOH HOH B . F 2 HOH 63 408 229 HOH HOH B . F 2 HOH 64 409 242 HOH HOH B . F 2 HOH 65 410 246 HOH HOH B . F 2 HOH 66 411 255 HOH HOH B . F 2 HOH 67 412 412 HOH HOH B . F 2 HOH 68 413 260 HOH HOH B . F 2 HOH 69 414 262 HOH HOH B . F 2 HOH 70 415 266 HOH HOH B . F 2 HOH 71 416 288 HOH HOH B . F 2 HOH 72 417 297 HOH HOH B . F 2 HOH 73 418 302 HOH HOH B . F 2 HOH 74 419 304 HOH HOH B . F 2 HOH 75 420 312 HOH HOH B . F 2 HOH 76 421 321 HOH HOH B . F 2 HOH 77 422 328 HOH HOH B . F 2 HOH 78 423 334 HOH HOH B . F 2 HOH 79 424 335 HOH HOH B . F 2 HOH 80 425 338 HOH HOH B . F 2 HOH 81 426 354 HOH HOH B . F 2 HOH 82 427 372 HOH HOH B . F 2 HOH 83 428 374 HOH HOH B . F 2 HOH 84 429 385 HOH HOH B . F 2 HOH 85 467 467 HOH HOH B . F 2 HOH 86 483 483 HOH HOH B . F 2 HOH 87 520 520 HOH HOH B . F 2 HOH 88 525 525 HOH HOH B . F 2 HOH 89 526 526 HOH HOH B . F 2 HOH 90 527 527 HOH HOH B . F 2 HOH 91 529 529 HOH HOH B . F 2 HOH 92 539 539 HOH HOH B . F 2 HOH 93 546 546 HOH HOH B . F 2 HOH 94 548 548 HOH HOH B . F 2 HOH 95 551 551 HOH HOH B . F 2 HOH 96 552 552 HOH HOH B . F 2 HOH 97 553 553 HOH HOH B . F 2 HOH 98 554 554 HOH HOH B . F 2 HOH 99 566 566 HOH HOH B . F 2 HOH 100 568 568 HOH HOH B . F 2 HOH 101 569 569 HOH HOH B . F 2 HOH 102 572 572 HOH HOH B . F 2 HOH 103 575 575 HOH HOH B . F 2 HOH 104 576 576 HOH HOH B . F 2 HOH 105 577 577 HOH HOH B . F 2 HOH 106 578 578 HOH HOH B . F 2 HOH 107 581 581 HOH HOH B . F 2 HOH 108 582 582 HOH HOH B . F 2 HOH 109 593 593 HOH HOH B . F 2 HOH 110 598 598 HOH HOH B . F 2 HOH 111 602 602 HOH HOH B . F 2 HOH 112 606 606 HOH HOH B . F 2 HOH 113 608 608 HOH HOH B . F 2 HOH 114 609 609 HOH HOH B . F 2 HOH 115 611 611 HOH HOH B . F 2 HOH 116 612 612 HOH HOH B . F 2 HOH 117 614 614 HOH HOH B . F 2 HOH 118 617 617 HOH HOH B . F 2 HOH 119 618 618 HOH HOH B . F 2 HOH 120 619 619 HOH HOH B . F 2 HOH 121 629 629 HOH HOH B . F 2 HOH 122 632 632 HOH HOH B . F 2 HOH 123 635 635 HOH HOH B . F 2 HOH 124 637 637 HOH HOH B . F 2 HOH 125 639 639 HOH HOH B . F 2 HOH 126 643 643 HOH HOH B . F 2 HOH 127 649 649 HOH HOH B . F 2 HOH 128 651 651 HOH HOH B . F 2 HOH 129 653 653 HOH HOH B . F 2 HOH 130 654 654 HOH HOH B . F 2 HOH 131 661 661 HOH HOH B . F 2 HOH 132 662 662 HOH HOH B . F 2 HOH 133 666 666 HOH HOH B . F 2 HOH 134 684 684 HOH HOH B . F 2 HOH 135 686 686 HOH HOH B . F 2 HOH 136 687 687 HOH HOH B . F 2 HOH 137 688 688 HOH HOH B . F 2 HOH 138 694 694 HOH HOH B . F 2 HOH 139 705 705 HOH HOH B . F 2 HOH 140 707 707 HOH HOH B . F 2 HOH 141 708 708 HOH HOH B . F 2 HOH 142 715 715 HOH HOH B . F 2 HOH 143 720 720 HOH HOH B . F 2 HOH 144 721 721 HOH HOH B . F 2 HOH 145 722 722 HOH HOH B . F 2 HOH 146 723 723 HOH HOH B . F 2 HOH 147 724 724 HOH HOH B . F 2 HOH 148 727 727 HOH HOH B . F 2 HOH 149 732 732 HOH HOH B . F 2 HOH 150 733 733 HOH HOH B . F 2 HOH 151 738 738 HOH HOH B . F 2 HOH 152 745 745 HOH HOH B . F 2 HOH 153 747 747 HOH HOH B . F 2 HOH 154 750 750 HOH HOH B . F 2 HOH 155 753 753 HOH HOH B . F 2 HOH 156 754 754 HOH HOH B . F 2 HOH 157 757 757 HOH HOH B . F 2 HOH 158 758 758 HOH HOH B . F 2 HOH 159 759 759 HOH HOH B . F 2 HOH 160 762 762 HOH HOH B . F 2 HOH 161 764 764 HOH HOH B . F 2 HOH 162 766 766 HOH HOH B . F 2 HOH 163 770 770 HOH HOH B . F 2 HOH 164 773 773 HOH HOH B . F 2 HOH 165 775 775 HOH HOH B . F 2 HOH 166 776 776 HOH HOH B . F 2 HOH 167 778 778 HOH HOH B . F 2 HOH 168 781 781 HOH HOH B . F 2 HOH 169 787 787 HOH HOH B . F 2 HOH 170 790 790 HOH HOH B . F 2 HOH 171 794 794 HOH HOH B . F 2 HOH 172 800 800 HOH HOH B . F 2 HOH 173 804 804 HOH HOH B . F 2 HOH 174 807 807 HOH HOH B . F 2 HOH 175 812 812 HOH HOH B . F 2 HOH 176 817 817 HOH HOH B . F 2 HOH 177 820 820 HOH HOH B . F 2 HOH 178 822 822 HOH HOH B . G 2 HOH 1 8 8 HOH HOH C . G 2 HOH 2 18 18 HOH HOH C . G 2 HOH 3 20 20 HOH HOH C . G 2 HOH 4 21 21 HOH HOH C . G 2 HOH 5 23 23 HOH HOH C . G 2 HOH 6 36 36 HOH HOH C . G 2 HOH 7 59 59 HOH HOH C . G 2 HOH 8 66 66 HOH HOH C . G 2 HOH 9 67 67 HOH HOH C . G 2 HOH 10 73 73 HOH HOH C . G 2 HOH 11 84 84 HOH HOH C . G 2 HOH 12 87 87 HOH HOH C . G 2 HOH 13 88 88 HOH HOH C . G 2 HOH 14 90 90 HOH HOH C . G 2 HOH 15 95 95 HOH HOH C . G 2 HOH 16 101 101 HOH HOH C . G 2 HOH 17 104 104 HOH HOH C . G 2 HOH 18 106 106 HOH HOH C . G 2 HOH 19 109 109 HOH HOH C . G 2 HOH 20 112 112 HOH HOH C . G 2 HOH 21 127 127 HOH HOH C . G 2 HOH 22 130 130 HOH HOH C . G 2 HOH 23 392 133 HOH HOH C . G 2 HOH 24 393 149 HOH HOH C . G 2 HOH 25 394 151 HOH HOH C . G 2 HOH 26 395 154 HOH HOH C . G 2 HOH 27 396 155 HOH HOH C . G 2 HOH 28 397 165 HOH HOH C . G 2 HOH 29 398 169 HOH HOH C . G 2 HOH 30 399 399 HOH HOH C . G 2 HOH 31 400 400 HOH HOH C . G 2 HOH 32 401 177 HOH HOH C . G 2 HOH 33 402 181 HOH HOH C . G 2 HOH 34 403 194 HOH HOH C . G 2 HOH 35 404 207 HOH HOH C . G 2 HOH 36 405 212 HOH HOH C . G 2 HOH 37 406 217 HOH HOH C . G 2 HOH 38 407 224 HOH HOH C . G 2 HOH 39 408 227 HOH HOH C . G 2 HOH 40 409 234 HOH HOH C . G 2 HOH 41 410 235 HOH HOH C . G 2 HOH 42 411 253 HOH HOH C . G 2 HOH 43 412 268 HOH HOH C . G 2 HOH 44 413 269 HOH HOH C . G 2 HOH 45 414 270 HOH HOH C . G 2 HOH 46 415 273 HOH HOH C . G 2 HOH 47 416 291 HOH HOH C . G 2 HOH 48 417 307 HOH HOH C . G 2 HOH 49 418 311 HOH HOH C . G 2 HOH 50 419 322 HOH HOH C . G 2 HOH 51 420 326 HOH HOH C . G 2 HOH 52 421 337 HOH HOH C . G 2 HOH 53 422 355 HOH HOH C . G 2 HOH 54 423 358 HOH HOH C . G 2 HOH 55 424 370 HOH HOH C . G 2 HOH 56 425 371 HOH HOH C . G 2 HOH 57 437 437 HOH HOH C . G 2 HOH 58 447 447 HOH HOH C . G 2 HOH 59 486 486 HOH HOH C . G 2 HOH 60 521 521 HOH HOH C . G 2 HOH 61 532 532 HOH HOH C . G 2 HOH 62 537 537 HOH HOH C . G 2 HOH 63 557 557 HOH HOH C . G 2 HOH 64 561 561 HOH HOH C . G 2 HOH 65 570 570 HOH HOH C . G 2 HOH 66 579 579 HOH HOH C . G 2 HOH 67 583 583 HOH HOH C . G 2 HOH 68 585 585 HOH HOH C . G 2 HOH 69 589 589 HOH HOH C . G 2 HOH 70 592 592 HOH HOH C . G 2 HOH 71 594 594 HOH HOH C . G 2 HOH 72 595 595 HOH HOH C . G 2 HOH 73 600 600 HOH HOH C . G 2 HOH 74 604 604 HOH HOH C . G 2 HOH 75 610 610 HOH HOH C . G 2 HOH 76 613 613 HOH HOH C . G 2 HOH 77 616 616 HOH HOH C . G 2 HOH 78 622 622 HOH HOH C . G 2 HOH 79 624 624 HOH HOH C . G 2 HOH 80 627 627 HOH HOH C . G 2 HOH 81 636 636 HOH HOH C . G 2 HOH 82 652 652 HOH HOH C . G 2 HOH 83 657 657 HOH HOH C . G 2 HOH 84 660 660 HOH HOH C . G 2 HOH 85 667 667 HOH HOH C . G 2 HOH 86 671 671 HOH HOH C . G 2 HOH 87 673 673 HOH HOH C . G 2 HOH 88 674 674 HOH HOH C . G 2 HOH 89 675 675 HOH HOH C . G 2 HOH 90 681 681 HOH HOH C . G 2 HOH 91 683 683 HOH HOH C . G 2 HOH 92 689 689 HOH HOH C . G 2 HOH 93 691 691 HOH HOH C . G 2 HOH 94 692 692 HOH HOH C . G 2 HOH 95 696 696 HOH HOH C . G 2 HOH 96 697 697 HOH HOH C . G 2 HOH 97 698 698 HOH HOH C . G 2 HOH 98 702 702 HOH HOH C . G 2 HOH 99 717 717 HOH HOH C . G 2 HOH 100 718 718 HOH HOH C . G 2 HOH 101 731 731 HOH HOH C . G 2 HOH 102 734 734 HOH HOH C . G 2 HOH 103 740 740 HOH HOH C . G 2 HOH 104 742 742 HOH HOH C . G 2 HOH 105 743 743 HOH HOH C . G 2 HOH 106 744 744 HOH HOH C . G 2 HOH 107 746 746 HOH HOH C . G 2 HOH 108 749 749 HOH HOH C . G 2 HOH 109 751 751 HOH HOH C . G 2 HOH 110 763 763 HOH HOH C . G 2 HOH 111 767 767 HOH HOH C . G 2 HOH 112 777 777 HOH HOH C . G 2 HOH 113 780 780 HOH HOH C . G 2 HOH 114 783 783 HOH HOH C . G 2 HOH 115 788 788 HOH HOH C . G 2 HOH 116 789 789 HOH HOH C . G 2 HOH 117 793 793 HOH HOH C . G 2 HOH 118 802 802 HOH HOH C . G 2 HOH 119 809 809 HOH HOH C . G 2 HOH 120 813 813 HOH HOH C . G 2 HOH 121 815 815 HOH HOH C . G 2 HOH 122 816 816 HOH HOH C . G 2 HOH 123 818 818 HOH HOH C . G 2 HOH 124 819 819 HOH HOH C . H 2 HOH 1 37 37 HOH HOH D . H 2 HOH 2 58 58 HOH HOH D . H 2 HOH 3 392 140 HOH HOH D . H 2 HOH 4 393 148 HOH HOH D . H 2 HOH 5 394 183 HOH HOH D . H 2 HOH 6 395 241 HOH HOH D . H 2 HOH 7 396 263 HOH HOH D . H 2 HOH 8 397 300 HOH HOH D . H 2 HOH 9 398 323 HOH HOH D . H 2 HOH 10 399 332 HOH HOH D . H 2 HOH 11 400 339 HOH HOH D . H 2 HOH 12 401 356 HOH HOH D . H 2 HOH 13 402 357 HOH HOH D . H 2 HOH 14 403 382 HOH HOH D . H 2 HOH 15 404 388 HOH HOH D . H 2 HOH 16 429 429 HOH HOH D . H 2 HOH 17 434 434 HOH HOH D . H 2 HOH 18 442 442 HOH HOH D . H 2 HOH 19 463 463 HOH HOH D . H 2 HOH 20 522 522 HOH HOH D . H 2 HOH 21 536 536 HOH HOH D . H 2 HOH 22 556 556 HOH HOH D . H 2 HOH 23 558 558 HOH HOH D . H 2 HOH 24 587 587 HOH HOH D . H 2 HOH 25 597 597 HOH HOH D . H 2 HOH 26 599 599 HOH HOH D . H 2 HOH 27 605 605 HOH HOH D . H 2 HOH 28 628 628 HOH HOH D . H 2 HOH 29 646 646 HOH HOH D . H 2 HOH 30 648 648 HOH HOH D . H 2 HOH 31 659 659 HOH HOH D . H 2 HOH 32 665 665 HOH HOH D . H 2 HOH 33 668 668 HOH HOH D . H 2 HOH 34 669 669 HOH HOH D . H 2 HOH 35 672 672 HOH HOH D . H 2 HOH 36 685 685 HOH HOH D . H 2 HOH 37 690 690 HOH HOH D . H 2 HOH 38 693 693 HOH HOH D . H 2 HOH 39 695 695 HOH HOH D . H 2 HOH 40 699 699 HOH HOH D . H 2 HOH 41 700 700 HOH HOH D . H 2 HOH 42 703 703 HOH HOH D . H 2 HOH 43 704 704 HOH HOH D . H 2 HOH 44 706 706 HOH HOH D . H 2 HOH 45 710 710 HOH HOH D . H 2 HOH 46 716 716 HOH HOH D . H 2 HOH 47 728 728 HOH HOH D . H 2 HOH 48 748 748 HOH HOH D . H 2 HOH 49 769 769 HOH HOH D . H 2 HOH 50 771 771 HOH HOH D . H 2 HOH 51 772 772 HOH HOH D . H 2 HOH 52 784 784 HOH HOH D . H 2 HOH 53 785 785 HOH HOH D . H 2 HOH 54 786 786 HOH HOH D . H 2 HOH 55 803 803 HOH HOH D . H 2 HOH 56 805 805 HOH HOH D . H 2 HOH 57 808 808 HOH HOH D . H 2 HOH 58 810 810 HOH HOH D . H 2 HOH 59 811 811 HOH HOH D . H 2 HOH 60 814 814 HOH HOH D . H 2 HOH 61 821 821 HOH HOH D . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 3 author_defined_assembly ? monomeric 1 4 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,E 2 1 B,F 3 1 C,G 4 1 D,H # _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] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2009-12-22 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-11-01 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Advisory 2 2 'Structure model' 'Version format compliance' 3 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_software.classification' 2 3 'Structure model' '_software.contact_author' 3 3 'Structure model' '_software.contact_author_email' 4 3 'Structure model' '_software.date' 5 3 'Structure model' '_software.language' 6 3 'Structure model' '_software.location' 7 3 'Structure model' '_software.name' 8 3 'Structure model' '_software.type' 9 3 'Structure model' '_software.version' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -29.3551 -13.9962 10.3746 0.0761 0.1603 0.3049 -0.0019 -0.0886 0.0079 5.5523 2.9501 6.1402 -0.3693 -4.8108 0.7147 -0.0307 -0.1746 0.2053 -0.5343 -0.1605 -0.2555 0.2561 0.1199 0.2434 'X-RAY DIFFRACTION' 2 ? refined -35.7376 -10.6721 2.6802 0.0539 0.0886 0.2225 0.0106 -0.0542 -0.0055 3.0708 2.5197 3.0843 0.5182 -0.9839 -1.4267 0.0027 -0.0653 0.0625 -0.0217 -0.0853 -0.0099 0.0378 0.0473 -0.0305 'X-RAY DIFFRACTION' 3 ? refined -41.5085 -3.2286 -6.1198 0.0523 0.1127 0.2035 0.0196 -0.0301 -0.0261 3.2828 2.4853 2.7721 -0.1231 0.2367 -1.2666 0.0604 -0.0896 0.0291 0.1360 0.0837 -0.1450 -0.0903 0.0114 0.1829 'X-RAY DIFFRACTION' 4 ? refined -48.7688 -1.3657 -17.1689 0.0961 0.1592 0.1826 0.0513 -0.0436 -0.0337 3.1606 2.3027 2.8685 -0.9289 0.4722 -0.9238 0.1579 -0.1554 -0.0026 0.4374 -0.0602 -0.1489 -0.4254 0.1562 0.0907 'X-RAY DIFFRACTION' 5 ? refined -57.0505 2.0703 -23.6111 0.1454 0.2938 0.1395 0.0783 -0.1152 -0.0176 2.8272 5.6191 3.9147 -0.2735 -0.2383 1.3650 0.1482 -0.1387 -0.0096 0.5582 -0.2524 0.1605 -0.2251 0.3334 -0.1875 'X-RAY DIFFRACTION' 6 ? refined -62.8170 0.9677 -34.2671 0.4804 0.4412 0.4700 0.1755 0.0219 0.0402 12.8771 9.1745 6.7891 10.8463 9.3481 7.8633 0.0195 0.1926 -0.2121 -0.4913 -0.6072 1.3890 -0.0128 0.2837 -0.4199 'X-RAY DIFFRACTION' 7 ? refined -24.0220 9.0799 -10.5763 0.0559 0.1419 0.2625 -0.0068 -0.0786 0.0046 3.9106 2.7097 5.8251 0.8017 -4.1716 -1.5704 -0.0106 -0.0620 0.0726 0.4106 -0.0125 0.2437 -0.1447 0.1600 -0.2887 'X-RAY DIFFRACTION' 8 ? refined -18.3224 20.1546 -9.7931 0.1157 0.1006 0.2280 -0.0156 -0.0401 0.0358 1.9630 8.9174 9.4657 -3.0602 -2.9715 9.1146 0.0965 0.0921 -0.1886 0.1687 0.2454 -0.2234 -0.4444 -0.4407 0.1229 'X-RAY DIFFRACTION' 9 ? refined -16.4834 9.2500 -1.6064 0.0887 0.0734 0.2204 -0.0175 -0.0575 0.0282 3.3610 2.2902 4.2121 0.1893 -1.2107 1.8057 -0.1051 -0.0482 0.1532 -0.1131 -0.1411 0.1312 0.1778 0.1906 -0.1203 'X-RAY DIFFRACTION' 10 ? refined -12.9416 21.4338 3.4107 0.0541 0.1683 0.3071 -0.0071 -0.0622 0.0080 3.1147 8.1922 5.0712 -0.7717 1.0602 2.1732 0.0573 -0.0859 0.0286 -0.0925 0.2050 0.2336 -0.1386 -0.2910 -0.3732 'X-RAY DIFFRACTION' 11 ? refined -8.6942 17.6365 6.1611 0.0657 0.1251 0.1899 -0.0034 -0.0685 0.0264 3.5827 1.3635 2.4531 0.8543 0.0922 0.9678 -0.0225 -0.0019 0.0244 -0.0940 -0.0345 0.1323 0.0421 0.1718 -0.1044 'X-RAY DIFFRACTION' 12 ? refined -0.6640 22.7511 19.9028 0.0834 0.1358 0.1461 -0.0076 -0.0336 0.0241 2.2032 1.9755 2.1132 1.1701 0.9772 0.8375 0.1356 -0.0857 -0.0499 -0.3592 -0.0450 0.0973 0.2525 0.2071 -0.1582 'X-RAY DIFFRACTION' 13 ? refined 12.4860 20.4208 34.1708 0.3397 0.2788 0.2405 -0.0367 -0.1142 0.0410 8.7364 4.0802 4.9871 0.8969 5.4510 -0.6172 0.3687 -0.1443 -0.2244 -0.1195 -0.6806 -0.6267 0.2714 0.6744 0.4536 'X-RAY DIFFRACTION' 14 ? refined -47.5239 24.5657 -59.0692 0.3071 0.3773 0.1285 0.0833 -0.1391 0.0744 5.0456 0.8946 3.6871 0.2411 -0.5826 0.1077 -0.0159 0.0790 -0.0631 0.4143 0.2494 0.2208 -0.0731 -0.2461 -0.3489 'X-RAY DIFFRACTION' 15 ? refined -34.2312 17.6152 -50.1398 0.2881 0.3078 0.0690 0.0588 -0.1164 0.0281 3.5341 3.1800 3.4503 0.4383 0.7961 -0.3524 -0.1347 0.0911 0.0435 0.2491 -0.1608 -0.1206 -0.2464 0.0615 0.1538 'X-RAY DIFFRACTION' 16 ? refined -20.4426 16.7254 -38.3691 0.2966 0.3078 0.1516 0.0233 -0.1121 0.0498 3.9722 1.8855 2.4602 -1.4703 1.4177 -0.8052 -0.1329 0.0367 0.0962 0.0019 0.1814 -0.1176 0.0253 -0.2864 0.0277 'X-RAY DIFFRACTION' 17 ? refined -6.6232 18.9707 -23.6512 0.2732 0.2839 0.3505 0.0246 -0.0249 0.0191 2.4654 4.8655 15.6154 -0.3995 -1.5508 2.4331 -0.1419 -0.1185 0.2604 -0.1463 0.2806 0.4397 0.2202 0.0474 -0.6022 'X-RAY DIFFRACTION' 18 ? refined -1.3813 35.7214 -65.7347 0.5702 0.8547 1.3237 0.3984 -0.5261 0.0826 11.1204 1.3234 2.1939 3.8363 -4.9393 -1.7040 1.9924 -0.7789 -1.2135 0.2645 0.2263 -1.3884 1.4259 0.9824 1.5341 'X-RAY DIFFRACTION' 19 ? refined 9.4400 35.1046 -64.1616 0.6119 0.9061 1.1220 0.2028 -0.4664 0.0407 2.2785 5.7180 4.1316 0.3803 -3.0600 -0.1588 0.8643 -0.0322 -0.8321 0.7561 -0.4753 0.9949 -1.2846 -0.4956 -0.2772 'X-RAY DIFFRACTION' 20 ? refined 2.4045 29.8195 -59.0233 0.2903 0.7385 1.6922 0.1975 -0.5441 0.2578 0.7553 3.9613 7.6035 -1.6587 -2.1150 5.3767 -0.0499 0.4004 -0.3506 0.9527 -0.7750 0.9645 0.2304 0.5468 -0.7890 'X-RAY DIFFRACTION' 21 ? refined 12.1666 29.6848 -53.0975 0.3248 0.6494 0.8807 0.0479 -0.3175 0.1352 4.0601 9.2469 5.3037 -1.6376 -2.9757 -0.3732 0.2047 -0.1384 -0.0664 0.0184 -0.8819 1.0507 -0.1306 -0.0128 -0.0681 'X-RAY DIFFRACTION' 22 ? refined 19.9307 26.3123 -47.7821 0.1781 0.4641 0.8602 0.1619 -0.2516 0.1830 5.1119 8.2052 4.4846 0.3619 1.3805 -3.7057 0.0783 0.3833 -0.4616 -0.0208 -0.8367 1.5060 -0.5635 0.0040 -0.2501 'X-RAY DIFFRACTION' 23 ? refined 30.8202 20.9840 -37.6292 0.1606 0.4179 0.6040 0.1824 -0.0355 0.1225 2.5430 3.9736 4.2346 -2.4528 0.8157 -1.8759 -0.0401 0.3450 -0.3049 -0.4641 -0.2400 1.2995 0.3975 -0.3066 -0.3705 'X-RAY DIFFRACTION' 24 ? refined 45.2430 18.9499 -28.9143 0.3111 0.3721 0.2446 0.1297 -0.0079 0.0413 2.0051 2.0996 7.7122 -0.1799 3.1373 1.3300 -0.1807 0.0810 0.0997 -0.1688 0.2496 0.3116 0.4543 -0.1955 -0.0152 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 132 A 165 ? . . . . ? 'X-RAY DIFFRACTION' 2 2 A 166 A 210 ? . . . . ? 'X-RAY DIFFRACTION' 3 3 A 211 A 261 ? . . . . ? 'X-RAY DIFFRACTION' 4 4 A 262 A 326 ? . . . . ? 'X-RAY DIFFRACTION' 5 5 A 327 A 374 ? . . . . ? 'X-RAY DIFFRACTION' 6 6 A 375 A 384 ? . . . . ? 'X-RAY DIFFRACTION' 7 7 B 132 B 162 ? . . . . ? 'X-RAY DIFFRACTION' 8 8 B 163 B 178 ? . . . . ? 'X-RAY DIFFRACTION' 9 9 B 179 B 209 ? . . . . ? 'X-RAY DIFFRACTION' 10 10 B 210 B 234 ? . . . . ? 'X-RAY DIFFRACTION' 11 11 B 235 B 259 ? . . . . ? 'X-RAY DIFFRACTION' 12 12 B 264 B 376 ? . . . . ? 'X-RAY DIFFRACTION' 13 13 B 377 B 387 ? . . . . ? 'X-RAY DIFFRACTION' 14 14 C 132 C 210 ? . . . . ? 'X-RAY DIFFRACTION' 15 15 C 211 C 269 ? . . . . ? 'X-RAY DIFFRACTION' 16 16 C 270 C 376 ? . . . . ? 'X-RAY DIFFRACTION' 17 17 C 377 C 388 ? . . . . ? 'X-RAY DIFFRACTION' 18 18 D 132 D 136 ? . . . . ? 'X-RAY DIFFRACTION' 19 19 D 137 D 149 ? . . . . ? 'X-RAY DIFFRACTION' 20 20 D 150 D 181 ? . . . . ? 'X-RAY DIFFRACTION' 21 21 D 182 D 223 ? . . . . ? 'X-RAY DIFFRACTION' 22 22 D 224 D 268 ? . . . . ? 'X-RAY DIFFRACTION' 23 23 D 269 D 367 ? . . . . ? 'X-RAY DIFFRACTION' 24 24 D 368 D 388 ? . . . . ? # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 REFMAC 5.4.0066 ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 PDB_EXTRACT 3.005 'June 11, 2008' package PDB help@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 CrystalClear . ? ? ? ? 'data collection' ? ? ? 6 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 7 MOLREP . ? ? ? ? phasing ? ? ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O B ASP 319 ? ? O B HOH 753 ? ? 2.08 2 1 O B HOH 551 ? ? O B HOH 775 ? ? 2.11 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 137 ? ? CZ A ARG 137 ? ? NH1 A ARG 137 ? ? 123.36 120.30 3.06 0.50 N 2 1 NE A ARG 137 ? ? CZ A ARG 137 ? ? NH2 A ARG 137 ? ? 117.24 120.30 -3.06 0.50 N 3 1 NE B ARG 378 ? ? CZ B ARG 378 ? ? NH1 B ARG 378 ? ? 123.64 120.30 3.34 0.50 N 4 1 NE B ARG 378 ? ? CZ B ARG 378 ? ? NH2 B ARG 378 ? ? 116.80 120.30 -3.50 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 219 ? ? -126.55 -152.43 2 1 ARG A 235 ? ? 72.29 34.91 3 1 ASP A 263 ? ? -42.80 109.57 4 1 GLU A 272 ? ? 62.85 -35.43 5 1 ASP B 219 ? ? -124.01 -154.94 6 1 CYS B 236 ? ? -100.95 77.96 7 1 ASP B 263 ? ? 91.39 -20.02 8 1 GLU B 272 ? ? 63.23 -37.11 9 1 GLN B 283 ? ? -119.53 71.67 10 1 LYS B 296 ? ? -175.08 116.99 11 1 LYS C 133 ? ? -44.40 -72.26 12 1 ASN C 187 ? ? -150.46 52.74 13 1 GLU C 272 ? ? 69.22 -45.38 14 1 HIS C 295 ? ? -105.87 -68.88 15 1 LEU D 160 ? ? -143.32 -55.51 16 1 LYS D 163 ? ? 62.68 65.71 17 1 THR D 176 ? ? -136.57 -33.49 18 1 ASN D 208 ? ? -146.49 -5.76 19 1 ASN D 214 ? ? -86.42 31.38 20 1 PHE D 217 ? ? -127.46 -161.49 21 1 ARG D 235 ? ? 72.35 42.35 22 1 ARG D 257 ? ? -164.12 58.74 23 1 GLU D 272 ? ? 70.05 -53.62 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 LYS B 262 ? ? ASP B 263 ? ? 130.47 2 1 ASP B 263 ? ? GLU B 264 ? ? -133.49 3 1 GLY C 207 ? ? ASN C 208 ? ? -149.52 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A ALA 385 ? A ALA 254 2 1 Y 1 A HIS 386 ? A HIS 255 3 1 Y 1 A HIS 387 ? A HIS 256 4 1 Y 1 A HIS 388 ? A HIS 257 5 1 Y 1 A HIS 389 ? A HIS 258 6 1 Y 1 A HIS 390 ? A HIS 259 7 1 Y 1 A HIS 391 ? A HIS 260 8 1 Y 1 B HIS 388 ? B HIS 257 9 1 Y 1 B HIS 389 ? B HIS 258 10 1 Y 1 B HIS 390 ? B HIS 259 11 1 Y 1 B HIS 391 ? B HIS 260 12 1 Y 1 C PHE 259 ? C PHE 128 13 1 Y 1 C GLN 260 ? C GLN 129 14 1 Y 1 C PRO 261 ? C PRO 130 15 1 Y 1 C LYS 262 ? C LYS 131 16 1 Y 1 C ASP 263 ? C ASP 132 17 1 Y 1 C GLU 264 ? C GLU 133 18 1 Y 1 C GLY 265 ? C GLY 134 19 1 Y 1 C GLY 266 ? C GLY 135 20 1 Y 1 C HIS 389 ? C HIS 258 21 1 Y 1 C HIS 390 ? C HIS 259 22 1 Y 1 C HIS 391 ? C HIS 260 23 1 Y 1 D PHE 259 ? D PHE 128 24 1 Y 1 D GLN 260 ? D GLN 129 25 1 Y 1 D PRO 261 ? D PRO 130 26 1 Y 1 D LYS 262 ? D LYS 131 27 1 Y 1 D ASP 263 ? D ASP 132 28 1 Y 1 D GLU 264 ? D GLU 133 29 1 Y 1 D GLY 265 ? D GLY 134 30 1 Y 1 D GLY 266 ? D GLY 135 31 1 Y 1 D HIS 389 ? D HIS 258 32 1 Y 1 D HIS 390 ? D HIS 259 33 1 Y 1 D HIS 391 ? D HIS 260 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name water _pdbx_entity_nonpoly.comp_id HOH #