data_4XEB # _entry.id 4XEB # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.294 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4XEB WWPDB D_1000205530 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4XEB _pdbx_database_status.recvd_initial_deposition_date 2014-12-23 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Alahuhta, P.M.' 1 'Lunin, V.V.' 2 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Nat Commun' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2041-1723 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume '9(1)' _citation.language ? _citation.page_first 1186 _citation.page_last ? _citation.title 'Engineering enhanced cellobiohydrolase activity' _citation.year 2018 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Taylor, L.E.' 1 primary 'Knott, B.C.' 2 primary 'Baker, J.O.' 3 primary 'Alahuhta, P.M.' 4 primary 'Hobdey, S.E.' 5 primary 'Linger, J.G.' 6 primary 'Lunin, V.V.' 7 primary 'Amore, A.' 8 primary 'Subramanian, V.' 9 primary 'Podkaminer, K.' 10 primary 'Xu, Q.' 11 primary 'VanderWall, T.A.' 12 primary 'Schuster, L.A.' 13 primary 'Chaudhari, Y.B.' 14 primary 'Adney, W.S.' 15 primary 'Crowley, M.F.' 16 primary 'Himmel, M.E.' 17 primary 'Decker, S.R.' 18 primary 'Beckham, G.T.' 19 # _cell.entry_id 4XEB _cell.length_a 70.972 _cell.length_b 61.836 _cell.length_c 85.849 _cell.angle_alpha 90.00 _cell.angle_beta 98.77 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4XEB _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # 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 Glucanase 45842.840 1 3.2.1.- ? 'UNP residues 26-461' ? 2 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 3 ? ? ? ? 3 non-polymer man CELLOBIOSE 342.296 1 ? ? ? ? 4 non-polymer man CELLOHEXAOSE 990.859 1 ? ? ? ? 5 non-polymer syn 'POTASSIUM ION' 39.098 3 ? ? ? ? 6 non-polymer syn 'SODIUM ION' 22.990 1 ? ? ? ? 7 non-polymer syn 'CHLORIDE ION' 35.453 1 ? ? ? ? 8 water nat water 18.015 820 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;(PCA)QIGTYTAETHPSLSWSTCKSGGSCTTNSGAITLDANWRWVHGVNTSTNCYTGNTWNSAICDTDASCAQDCALDGA DYSGTYGITTSGNSLRLNFVTGSNVGSRTYLMADNTHYQIFDLLNQEFTFTVDVSHLPCGLNGALYFVTMDADGGVSKYP NNKAGAQYGVGYCDSQCPRDLKFIAGQANVEGWTPSANNANTGIGNHGACCAELDIWEANSISEALTPHPCDTPGLSVCT TDACGGTYSSDRYAGTCDPDGCDFNPYRLGVTDFYGSGKTVDTTKPFTVVTQFVTNDGTSTGSLSEIRRYYVQNGVVIPQ PSSKISGISGNVINSDYCAAEISTFGGTASFSKHGGLTNMAAGMEAGMVLVMSLWDDYAVNMLWLDSTYPTNATGTPGAA RGTCATTSGDPKTVESQSGSSYVTFSDIRVGPFNSTFSGG ; _entity_poly.pdbx_seq_one_letter_code_can ;EQIGTYTAETHPSLSWSTCKSGGSCTTNSGAITLDANWRWVHGVNTSTNCYTGNTWNSAICDTDASCAQDCALDGADYSG TYGITTSGNSLRLNFVTGSNVGSRTYLMADNTHYQIFDLLNQEFTFTVDVSHLPCGLNGALYFVTMDADGGVSKYPNNKA GAQYGVGYCDSQCPRDLKFIAGQANVEGWTPSANNANTGIGNHGACCAELDIWEANSISEALTPHPCDTPGLSVCTTDAC GGTYSSDRYAGTCDPDGCDFNPYRLGVTDFYGSGKTVDTTKPFTVVTQFVTNDGTSTGSLSEIRRYYVQNGVVIPQPSSK ISGISGNVINSDYCAAEISTFGGTASFSKHGGLTNMAAGMEAGMVLVMSLWDDYAVNMLWLDSTYPTNATGTPGAARGTC ATTSGDPKTVESQSGSSYVTFSDIRVGPFNSTFSGG ; _entity_poly.pdbx_strand_id A _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 PCA n 1 2 GLN n 1 3 ILE n 1 4 GLY n 1 5 THR n 1 6 TYR n 1 7 THR n 1 8 ALA n 1 9 GLU n 1 10 THR n 1 11 HIS n 1 12 PRO n 1 13 SER n 1 14 LEU n 1 15 SER n 1 16 TRP n 1 17 SER n 1 18 THR n 1 19 CYS n 1 20 LYS n 1 21 SER n 1 22 GLY n 1 23 GLY n 1 24 SER n 1 25 CYS n 1 26 THR n 1 27 THR n 1 28 ASN n 1 29 SER n 1 30 GLY n 1 31 ALA n 1 32 ILE n 1 33 THR n 1 34 LEU n 1 35 ASP n 1 36 ALA n 1 37 ASN n 1 38 TRP n 1 39 ARG n 1 40 TRP n 1 41 VAL n 1 42 HIS n 1 43 GLY n 1 44 VAL n 1 45 ASN n 1 46 THR n 1 47 SER n 1 48 THR n 1 49 ASN n 1 50 CYS n 1 51 TYR n 1 52 THR n 1 53 GLY n 1 54 ASN n 1 55 THR n 1 56 TRP n 1 57 ASN n 1 58 SER n 1 59 ALA n 1 60 ILE n 1 61 CYS n 1 62 ASP n 1 63 THR n 1 64 ASP n 1 65 ALA n 1 66 SER n 1 67 CYS n 1 68 ALA n 1 69 GLN n 1 70 ASP n 1 71 CYS n 1 72 ALA n 1 73 LEU n 1 74 ASP n 1 75 GLY n 1 76 ALA n 1 77 ASP n 1 78 TYR n 1 79 SER n 1 80 GLY n 1 81 THR n 1 82 TYR n 1 83 GLY n 1 84 ILE n 1 85 THR n 1 86 THR n 1 87 SER n 1 88 GLY n 1 89 ASN n 1 90 SER n 1 91 LEU n 1 92 ARG n 1 93 LEU n 1 94 ASN n 1 95 PHE n 1 96 VAL n 1 97 THR n 1 98 GLY n 1 99 SER n 1 100 ASN n 1 101 VAL n 1 102 GLY n 1 103 SER n 1 104 ARG n 1 105 THR n 1 106 TYR n 1 107 LEU n 1 108 MET n 1 109 ALA n 1 110 ASP n 1 111 ASN n 1 112 THR n 1 113 HIS n 1 114 TYR n 1 115 GLN n 1 116 ILE n 1 117 PHE n 1 118 ASP n 1 119 LEU n 1 120 LEU n 1 121 ASN n 1 122 GLN n 1 123 GLU n 1 124 PHE n 1 125 THR n 1 126 PHE n 1 127 THR n 1 128 VAL n 1 129 ASP n 1 130 VAL n 1 131 SER n 1 132 HIS n 1 133 LEU n 1 134 PRO n 1 135 CYS n 1 136 GLY n 1 137 LEU n 1 138 ASN n 1 139 GLY n 1 140 ALA n 1 141 LEU n 1 142 TYR n 1 143 PHE n 1 144 VAL n 1 145 THR n 1 146 MET n 1 147 ASP n 1 148 ALA n 1 149 ASP n 1 150 GLY n 1 151 GLY n 1 152 VAL n 1 153 SER n 1 154 LYS n 1 155 TYR n 1 156 PRO n 1 157 ASN n 1 158 ASN n 1 159 LYS n 1 160 ALA n 1 161 GLY n 1 162 ALA n 1 163 GLN n 1 164 TYR n 1 165 GLY n 1 166 VAL n 1 167 GLY n 1 168 TYR n 1 169 CYS n 1 170 ASP n 1 171 SER n 1 172 GLN n 1 173 CYS n 1 174 PRO n 1 175 ARG n 1 176 ASP n 1 177 LEU n 1 178 LYS n 1 179 PHE n 1 180 ILE n 1 181 ALA n 1 182 GLY n 1 183 GLN n 1 184 ALA n 1 185 ASN n 1 186 VAL n 1 187 GLU n 1 188 GLY n 1 189 TRP n 1 190 THR n 1 191 PRO n 1 192 SER n 1 193 ALA n 1 194 ASN n 1 195 ASN n 1 196 ALA n 1 197 ASN n 1 198 THR n 1 199 GLY n 1 200 ILE n 1 201 GLY n 1 202 ASN n 1 203 HIS n 1 204 GLY n 1 205 ALA n 1 206 CYS n 1 207 CYS n 1 208 ALA n 1 209 GLU n 1 210 LEU n 1 211 ASP n 1 212 ILE n 1 213 TRP n 1 214 GLU n 1 215 ALA n 1 216 ASN n 1 217 SER n 1 218 ILE n 1 219 SER n 1 220 GLU n 1 221 ALA n 1 222 LEU n 1 223 THR n 1 224 PRO n 1 225 HIS n 1 226 PRO n 1 227 CYS n 1 228 ASP n 1 229 THR n 1 230 PRO n 1 231 GLY n 1 232 LEU n 1 233 SER n 1 234 VAL n 1 235 CYS n 1 236 THR n 1 237 THR n 1 238 ASP n 1 239 ALA n 1 240 CYS n 1 241 GLY n 1 242 GLY n 1 243 THR n 1 244 TYR n 1 245 SER n 1 246 SER n 1 247 ASP n 1 248 ARG n 1 249 TYR n 1 250 ALA n 1 251 GLY n 1 252 THR n 1 253 CYS n 1 254 ASP n 1 255 PRO n 1 256 ASP n 1 257 GLY n 1 258 CYS n 1 259 ASP n 1 260 PHE n 1 261 ASN n 1 262 PRO n 1 263 TYR n 1 264 ARG n 1 265 LEU n 1 266 GLY n 1 267 VAL n 1 268 THR n 1 269 ASP n 1 270 PHE n 1 271 TYR n 1 272 GLY n 1 273 SER n 1 274 GLY n 1 275 LYS n 1 276 THR n 1 277 VAL n 1 278 ASP n 1 279 THR n 1 280 THR n 1 281 LYS n 1 282 PRO n 1 283 PHE n 1 284 THR n 1 285 VAL n 1 286 VAL n 1 287 THR n 1 288 GLN n 1 289 PHE n 1 290 VAL n 1 291 THR n 1 292 ASN n 1 293 ASP n 1 294 GLY n 1 295 THR n 1 296 SER n 1 297 THR n 1 298 GLY n 1 299 SER n 1 300 LEU n 1 301 SER n 1 302 GLU n 1 303 ILE n 1 304 ARG n 1 305 ARG n 1 306 TYR n 1 307 TYR n 1 308 VAL n 1 309 GLN n 1 310 ASN n 1 311 GLY n 1 312 VAL n 1 313 VAL n 1 314 ILE n 1 315 PRO n 1 316 GLN n 1 317 PRO n 1 318 SER n 1 319 SER n 1 320 LYS n 1 321 ILE n 1 322 SER n 1 323 GLY n 1 324 ILE n 1 325 SER n 1 326 GLY n 1 327 ASN n 1 328 VAL n 1 329 ILE n 1 330 ASN n 1 331 SER n 1 332 ASP n 1 333 TYR n 1 334 CYS n 1 335 ALA n 1 336 ALA n 1 337 GLU n 1 338 ILE n 1 339 SER n 1 340 THR n 1 341 PHE n 1 342 GLY n 1 343 GLY n 1 344 THR n 1 345 ALA n 1 346 SER n 1 347 PHE n 1 348 SER n 1 349 LYS n 1 350 HIS n 1 351 GLY n 1 352 GLY n 1 353 LEU n 1 354 THR n 1 355 ASN n 1 356 MET n 1 357 ALA n 1 358 ALA n 1 359 GLY n 1 360 MET n 1 361 GLU n 1 362 ALA n 1 363 GLY n 1 364 MET n 1 365 VAL n 1 366 LEU n 1 367 VAL n 1 368 MET n 1 369 SER n 1 370 LEU n 1 371 TRP n 1 372 ASP n 1 373 ASP n 1 374 TYR n 1 375 ALA n 1 376 VAL n 1 377 ASN n 1 378 MET n 1 379 LEU n 1 380 TRP n 1 381 LEU n 1 382 ASP n 1 383 SER n 1 384 THR n 1 385 TYR n 1 386 PRO n 1 387 THR n 1 388 ASN n 1 389 ALA n 1 390 THR n 1 391 GLY n 1 392 THR n 1 393 PRO n 1 394 GLY n 1 395 ALA n 1 396 ALA n 1 397 ARG n 1 398 GLY n 1 399 THR n 1 400 CYS n 1 401 ALA n 1 402 THR n 1 403 THR n 1 404 SER n 1 405 GLY n 1 406 ASP n 1 407 PRO n 1 408 LYS n 1 409 THR n 1 410 VAL n 1 411 GLU n 1 412 SER n 1 413 GLN n 1 414 SER n 1 415 GLY n 1 416 SER n 1 417 SER n 1 418 TYR n 1 419 VAL n 1 420 THR n 1 421 PHE n 1 422 SER n 1 423 ASP n 1 424 ILE n 1 425 ARG n 1 426 VAL n 1 427 GLY n 1 428 PRO n 1 429 PHE n 1 430 ASN n 1 431 SER n 1 432 THR n 1 433 PHE n 1 434 SER n 1 435 GLY n 1 436 GLY 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 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 436 _entity_src_gen.gene_src_common_name 'Fruitlet core rot fungus' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene cbh1 _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 'Penicillium funiculosum' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 28572 _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 'Trichoderma reesei QM6a' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 431241 _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 AST1116 _entity_src_gen.pdbx_host_org_variant 'cbh1-delete strain' _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 ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code F1CYZ0_PENFN _struct_ref.pdbx_db_accession F1CYZ0 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;QQIGTYTAETHPSLSWSTCKSGGSCTTNSGAITLDANWRWVHGVNTSTNCYTGNTWNSAICDTDASCAQDCALDGADYSG TYGITTSGNSLRLNFVTGSNVGSRTYLMADNTHYQIFDLLNQEFTFTVDVSHLPCGLNGALYFVTMDADGGVSKYPNNKA GAQYGVGYCDSQCPRDLKFIAGQANVEGWTPSANNANTGIGNHGACCAELDIWEANSISEALTPHPCDTPGLSVCTTDAC GGTYSSDRYAGTCDPDGCDFNPYRLGVTDFYGSGKTVDTTKPFTVVTQFVTNDGTSTGSLSEIRRYYVQNGVVIPQPSSK ISGISGNVINSDYCAAEISTFGGTASFNKHGGLTNMAAGMEAGMVLVMSLWDDYAVNMLWLDSTYPTNATGTPGAARGTC ATTSGDPKTVESQSGSSYVTFSDIRVGPFNSTFSGG ; _struct_ref.pdbx_align_begin 0 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4XEB _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 436 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession F1CYZ0 _struct_ref_seq.db_align_beg 26 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 461 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 436 # 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 4XEB PCA A 1 ? UNP F1CYZ0 GLN 26 conflict 1 1 1 4XEB SER A 348 ? UNP F1CYZ0 ASN 373 conflict 348 2 # 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 CBI saccharide . CELLOBIOSE ? 'C12 H22 O11' 342.296 CE6 non-polymer . CELLOHEXAOSE ? 'C36 H62 O31' 990.859 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 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 K non-polymer . 'POTASSIUM ION' ? 'K 1' 39.098 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 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PCA 'L-peptide linking' n 'PYROGLUTAMIC ACID' ? 'C5 H7 N O3' 129.114 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 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4XEB _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.06 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 40.39 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 4.0 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details ;Sitting drop with 50 uL of well solution and drops containing 0.5 uL of well solution and 1.5 uL of protein solution. Well solution: 0.27 M sodium phosphate, 1.53 M potassium phosphate dibasic pH 4.0; Protein solution: 15.5 mg/ml of protein in 20 mM acetate, pH 5.0, 100 mM NaCl, 50 mM cellobiose, 5 mM cellohexaose ; _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'Bruker Platinum 135' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-10-15 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54188 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source 'ROTATING ANODE' _diffrn_source.target ? _diffrn_source.type 'BRUKER AXS MICROSTAR' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.54188 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_synchrotron_site ? # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4XEB _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.70 _reflns.d_resolution_low 84.84 _reflns.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.number_all ? _reflns.number_obs 40134 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.0 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 8.63 _reflns.pdbx_Rmerge_I_obs 0.1026 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 12.99 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.70 _reflns_shell.d_res_low 1.80 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.66 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 94.4 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.3990 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 2.13 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4XEB _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 37520 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50 _refine.ls_d_res_high 1.70 _refine.ls_percent_reflns_obs 95.51 _refine.ls_R_factor_obs 0.13954 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.13756 _refine.ls_R_factor_R_free 0.20301 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 3.1 _refine.ls_number_reflns_R_free 1188 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.970 _refine.correlation_coeff_Fo_to_Fc_free 0.925 _refine.B_iso_mean 12.935 _refine.aniso_B[1][1] 0.25 _refine.aniso_B[2][2] -0.31 _refine.aniso_B[3][3] 0.06 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.02 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB entry 3PL3' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.111 _refine.pdbx_overall_ESU_R_Free 0.120 _refine.overall_SU_ML 0.089 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 2.855 _refine.overall_SU_R_Cruickshank_DPI ? _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 3177 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 137 _refine_hist.number_atoms_solvent 820 _refine_hist.number_atoms_total 4134 _refine_hist.d_res_high 1.70 _refine_hist.d_res_low 50 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.018 0.020 ? 3568 'X-RAY DIFFRACTION' ? r_bond_other_d 0.006 0.020 ? 3033 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.904 1.971 ? 4924 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.971 3.000 ? 7041 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 13.102 5.075 ? 469 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 33.014 25.175 ? 143 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.815 15.000 ? 477 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 19.100 15.000 ? 9 'X-RAY DIFFRACTION' ? r_chiral_restr 0.127 0.200 ? 574 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.009 0.020 ? 4183 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 812 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.092 1.065 ? 1813 'X-RAY DIFFRACTION' ? r_mcbond_other 1.090 1.065 ? 1812 'X-RAY DIFFRACTION' ? r_mcangle_it 1.691 1.595 ? 2296 'X-RAY DIFFRACTION' ? r_mcangle_other 1.691 1.596 ? 2297 'X-RAY DIFFRACTION' ? r_scbond_it 1.693 1.214 ? 1755 'X-RAY DIFFRACTION' ? r_scbond_other 1.692 1.214 ? 1755 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 2.604 1.765 ? 2628 'X-RAY DIFFRACTION' ? r_long_range_B_refined 6.434 11.671 ? 5001 'X-RAY DIFFRACTION' ? r_long_range_B_other 5.512 10.060 ? 4459 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.700 _refine_ls_shell.d_res_low 1.744 _refine_ls_shell.number_reflns_R_work 1725 _refine_ls_shell.R_factor_R_work 0.296 _refine_ls_shell.percent_reflns_obs 58.73 _refine_ls_shell.R_factor_R_free 0.430 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 45 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 4XEB _struct.title 'The structure of P. funicolosum Cel7A' _struct.pdbx_descriptor Cel7A _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 4XEB _struct_keywords.text 'Cellulase, processive, CbhI, Cel7, cellobiose, cellohexaose, HYDROLASE' _struct_keywords.pdbx_keywords HYDROLASE # 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 2 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 5 ? H N N 5 ? I N N 5 ? J N N 6 ? K N N 7 ? L N N 8 ? # 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 AA1 ALA A 36 ? ARG A 39 ? ALA A 36 ARG A 39 5 ? 4 HELX_P HELX_P2 AA2 THR A 63 ? ASP A 70 ? THR A 63 ASP A 70 1 ? 8 HELX_P HELX_P3 AA3 ASP A 77 ? GLY A 83 ? ASP A 77 GLY A 83 1 ? 7 HELX_P HELX_P4 AA4 ALA A 160 ? GLY A 165 ? ALA A 160 GLY A 165 5 ? 6 HELX_P HELX_P5 AA5 ASP A 238 ? GLY A 241 ? ASP A 238 GLY A 241 5 ? 4 HELX_P HELX_P6 AA6 SER A 331 ? GLY A 342 ? SER A 331 GLY A 342 1 ? 12 HELX_P HELX_P7 AA7 ALA A 345 ? HIS A 350 ? ALA A 345 HIS A 350 1 ? 6 HELX_P HELX_P8 AA8 GLY A 351 ? ALA A 362 ? GLY A 351 ALA A 362 1 ? 12 HELX_P HELX_P9 AA9 MET A 378 ? SER A 383 ? MET A 378 SER A 383 1 ? 6 HELX_P HELX_P10 AB1 ASP A 406 ? SER A 414 ? ASP A 406 SER A 414 1 ? 9 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 19 SG ? ? ? 1_555 A CYS 25 SG ? ? A CYS 19 A CYS 25 1_555 ? ? ? ? ? ? ? 2.126 ? disulf2 disulf ? ? A CYS 50 SG ? ? ? 1_555 A CYS 71 SG ? ? A CYS 50 A CYS 71 1_555 ? ? ? ? ? ? ? 2.073 ? disulf3 disulf ? ? A CYS 61 SG ? ? ? 1_555 A CYS 67 SG ? ? A CYS 61 A CYS 67 1_555 ? ? ? ? ? ? ? 2.131 ? disulf4 disulf ? ? A CYS 135 SG ? ? ? 1_555 A CYS 400 SG ? ? A CYS 135 A CYS 400 1_555 ? ? ? ? ? ? ? 2.074 ? disulf5 disulf ? ? A CYS 169 SG ? ? ? 1_555 A CYS 207 SG ? ? A CYS 169 A CYS 207 1_555 ? ? ? ? ? ? ? 2.110 ? disulf6 disulf ? ? A CYS 173 SG ? ? ? 1_555 A CYS 206 SG ? ? A CYS 173 A CYS 206 1_555 ? ? ? ? ? ? ? 2.076 ? disulf7 disulf ? ? A CYS 227 SG ? ? ? 1_555 A CYS 253 SG ? ? A CYS 227 A CYS 253 1_555 ? ? ? ? ? ? ? 2.030 ? disulf8 disulf ? ? A CYS 235 SG ? ? ? 1_555 A CYS 240 SG ? ? A CYS 235 A CYS 240 1_555 ? ? ? ? ? ? ? 2.050 ? disulf9 disulf ? ? A CYS 258 SG ? ? ? 1_555 A CYS 334 SG ? ? A CYS 258 A CYS 334 1_555 ? ? ? ? ? ? ? 2.124 ? covale1 covale both ? A PCA 1 C ? ? ? 1_555 A GLN 2 N ? ? A PCA 1 A GLN 2 1_555 ? ? ? ? ? ? ? 1.329 ? covale2 covale one ? A ASN 45 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 45 A NAG 503 1_555 ? ? ? ? ? ? ? 1.456 ? metalc1 metalc ? ? A THR 86 O ? ? ? 1_555 H K . K ? ? A THR 86 A K 507 1_555 ? ? ? ? ? ? ? 2.744 ? metalc2 metalc ? ? A THR 86 OG1 ? ? ? 1_555 H K . K ? ? A THR 86 A K 507 1_555 ? ? ? ? ? ? ? 2.734 ? metalc3 metalc ? ? A ASP 170 OD2 ? ? ? 1_555 G K . K ? ? A ASP 170 A K 506 1_555 ? ? ? ? ? ? ? 2.826 ? metalc4 metalc ? ? A GLU 209 OE1 ? ? ? 1_555 G K . K ? ? A GLU 209 A K 506 1_555 ? ? ? ? ? ? ? 2.985 ? metalc5 metalc ? ? A GLU 209 OE2 ? ? ? 1_555 G K . K ? ? A GLU 209 A K 506 1_555 ? ? ? ? ? ? ? 2.690 ? metalc6 metalc ? ? A THR 344 OG1 ? ? ? 1_555 J NA . NA ? ? A THR 344 A NA 509 1_555 ? ? ? ? ? ? ? 2.263 ? covale3 covale one ? A ASN 388 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 388 A NAG 502 1_555 ? ? ? ? ? ? ? 1.445 ? metalc7 metalc ? ? A THR 399 O ? ? ? 1_555 I K . K ? ? A THR 399 A K 508 1_555 ? ? ? ? ? ? ? 2.817 ? covale4 covale one ? A ASN 430 ND2 A ? ? 1_555 B NAG . C1 ? ? A ASN 430 A NAG 501 1_555 ? ? ? ? ? ? ? 1.458 ? metalc8 metalc ? ? F CE6 . O1A ? ? ? 1_555 G K . K ? ? A CE6 505 A K 506 1_555 ? ? ? ? ? ? ? 2.736 ? metalc9 metalc ? ? G K . K ? ? ? 1_555 L HOH . O ? ? A K 506 A HOH 1087 1_555 ? ? ? ? ? ? ? 2.879 ? metalc10 metalc ? ? G K . K ? ? ? 1_555 L HOH . O B ? A K 506 A HOH 950 1_555 ? ? ? ? ? ? ? 3.448 ? metalc11 metalc ? ? G K . K ? ? ? 1_555 L HOH . O ? ? A K 506 A HOH 998 1_555 ? ? ? ? ? ? ? 2.854 ? metalc12 metalc ? ? H K . K ? ? ? 1_555 L HOH . O ? ? A K 507 A HOH 1082 1_555 ? ? ? ? ? ? ? 2.777 ? metalc13 metalc ? ? H K . K ? ? ? 1_555 L HOH . O ? ? A K 507 A HOH 983 1_555 ? ? ? ? ? ? ? 2.725 ? metalc14 metalc ? ? H K . K ? ? ? 1_555 L HOH . O ? ? A K 507 A HOH 1015 1_555 ? ? ? ? ? ? ? 3.313 ? metalc15 metalc ? ? H K . K ? ? ? 1_555 L HOH . O ? ? A K 507 A HOH 1195 1_555 ? ? ? ? ? ? ? 2.649 ? metalc16 metalc ? ? I K . K ? ? ? 1_555 L HOH . O ? ? A K 508 A HOH 892 1_555 ? ? ? ? ? ? ? 2.938 ? metalc17 metalc ? ? I K . K ? ? ? 1_555 L HOH . O ? ? A K 508 A HOH 955 1_555 ? ? ? ? ? ? ? 2.820 ? metalc18 metalc ? ? J NA . NA ? ? ? 1_555 L HOH . O ? ? A NA 509 A HOH 806 1_555 ? ? ? ? ? ? ? 2.915 ? metalc19 metalc ? ? A THR 297 O ? ? ? 1_555 I K . K ? ? A THR 297 A K 508 3_555 ? ? ? ? ? ? ? 2.968 ? metalc20 metalc ? ? A ASN 310 OD1 B ? ? 1_555 J NA . NA ? ? A ASN 310 A NA 509 3_455 ? ? ? ? ? ? ? 2.814 ? metalc21 metalc ? ? H K . K ? ? ? 1_555 L HOH . O ? ? A K 507 A HOH 1322 3_455 ? ? ? ? ? ? ? 3.173 ? metalc22 metalc ? ? I K . K ? ? ? 1_555 L HOH . O ? ? A K 508 A HOH 1208 3_445 ? ? ? ? ? ? ? 3.055 ? metalc23 metalc ? ? I K . K ? ? ? 1_555 L HOH . O ? ? A K 508 A HOH 827 3_445 ? ? ? ? ? ? ? 2.950 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id TYR _struct_mon_prot_cis.label_seq_id 385 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id TYR _struct_mon_prot_cis.auth_seq_id 385 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 386 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 386 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -16.88 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 3 ? AA2 ? 7 ? AA3 ? 12 ? AA4 ? 3 ? AA5 ? 2 ? AA6 ? 2 ? AA7 ? 2 ? AA8 ? 2 ? AA9 ? 2 ? AB1 ? 2 ? AB2 ? 2 ? # 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 AA1 1 2 ? parallel AA1 2 3 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA2 6 7 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA3 4 5 ? anti-parallel AA3 5 6 ? parallel AA3 6 7 ? anti-parallel AA3 7 8 ? anti-parallel AA3 8 9 ? anti-parallel AA3 9 10 ? anti-parallel AA3 10 11 ? anti-parallel AA3 11 12 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA5 1 2 ? anti-parallel AA6 1 2 ? anti-parallel AA7 1 2 ? anti-parallel AA8 1 2 ? anti-parallel AA9 1 2 ? anti-parallel AB1 1 2 ? anti-parallel AB2 1 2 ? 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 AA1 1 GLN A 2 ? ILE A 3 ? GLN A 2 ILE A 3 AA1 2 CYS A 71 ? LEU A 73 ? CYS A 71 LEU A 73 AA1 3 VAL A 41 ? GLY A 43 ? VAL A 41 GLY A 43 AA2 1 ILE A 84 ? SER A 87 ? ILE A 84 SER A 87 AA2 2 SER A 90 ? ASN A 94 ? SER A 90 ASN A 94 AA2 3 TYR A 418 ? PRO A 428 ? TYR A 418 PRO A 428 AA2 4 SER A 13 ? CYS A 19 ? SER A 13 CYS A 19 AA2 5 CYS A 25 ? LEU A 34 ? CYS A 25 LEU A 34 AA2 6 SER A 103 ? ASP A 110 ? SER A 103 ASP A 110 AA2 7 HIS A 113 ? TYR A 114 ? HIS A 113 TYR A 114 AA3 1 ILE A 329 ? ASN A 330 ? ILE A 329 ASN A 330 AA3 2 LEU A 300 ? GLN A 309 ? LEU A 300 GLN A 309 AA3 3 PHE A 283 ? THR A 291 ? PHE A 283 THR A 291 AA3 4 GLN A 122 ? ASP A 129 ? GLN A 122 ASP A 129 AA3 5 TYR A 418 ? PRO A 428 ? TYR A 418 PRO A 428 AA3 6 SER A 13 ? CYS A 19 ? SER A 13 CYS A 19 AA3 7 CYS A 25 ? LEU A 34 ? CYS A 25 LEU A 34 AA3 8 SER A 103 ? ASP A 110 ? SER A 103 ASP A 110 AA3 9 MET A 364 ? TRP A 371 ? MET A 364 TRP A 371 AA3 10 ASN A 138 ? VAL A 144 ? ASN A 138 VAL A 144 AA3 11 GLU A 209 ? ALA A 215 ? GLU A 209 ALA A 215 AA3 12 GLU A 220 ? HIS A 225 ? GLU A 220 HIS A 225 AA4 1 ILE A 329 ? ASN A 330 ? ILE A 329 ASN A 330 AA4 2 LEU A 300 ? GLN A 309 ? LEU A 300 GLN A 309 AA4 3 VAL A 312 ? PRO A 315 ? VAL A 312 PRO A 315 AA5 1 ILE A 116 ? PHE A 117 ? ILE A 116 PHE A 117 AA5 2 MET A 364 ? TRP A 371 ? MET A 364 TRP A 371 AA6 1 TYR A 51 ? THR A 52 ? TYR A 51 THR A 52 AA6 2 THR A 55 ? TRP A 56 ? THR A 55 TRP A 56 AA7 1 VAL A 96 ? THR A 97 ? VAL A 96 THR A 97 AA7 2 ASN A 100 ? VAL A 101 ? ASN A 100 VAL A 101 AA8 1 PHE A 179 ? ILE A 180 ? PHE A 179 ILE A 180 AA8 2 GLN A 183 ? ALA A 184 ? GLN A 183 ALA A 184 AA9 1 THR A 190 ? PRO A 191 ? THR A 190 PRO A 191 AA9 2 GLY A 199 ? ILE A 200 ? GLY A 199 ILE A 200 AB1 1 HIS A 203 ? CYS A 206 ? HIS A 203 CYS A 206 AB1 2 SER A 233 ? THR A 236 ? SER A 233 THR A 236 AB2 1 TYR A 271 ? GLY A 272 ? TYR A 271 GLY A 272 AB2 2 VAL A 277 ? ASP A 278 ? VAL A 277 ASP A 278 # 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 AA1 1 2 N GLN A 2 ? N GLN A 2 O LEU A 73 ? O LEU A 73 AA1 2 3 O ALA A 72 ? O ALA A 72 N HIS A 42 ? N HIS A 42 AA2 1 2 N THR A 85 ? N THR A 85 O ARG A 92 ? O ARG A 92 AA2 2 3 N LEU A 91 ? N LEU A 91 O PHE A 421 ? O PHE A 421 AA2 3 4 O VAL A 426 ? O VAL A 426 N CYS A 19 ? N CYS A 19 AA2 4 5 N TRP A 16 ? N TRP A 16 O ASN A 28 ? O ASN A 28 AA2 5 6 N ALA A 31 ? N ALA A 31 O MET A 108 ? O MET A 108 AA2 6 7 N ALA A 109 ? N ALA A 109 O HIS A 113 ? O HIS A 113 AA3 1 2 O ILE A 329 ? O ILE A 329 N ILE A 303 ? N ILE A 303 AA3 2 3 O TYR A 306 ? O TYR A 306 N VAL A 286 ? N VAL A 286 AA3 3 4 O VAL A 285 ? O VAL A 285 N PHE A 126 ? N PHE A 126 AA3 4 5 N GLU A 123 ? N GLU A 123 O GLY A 427 ? O GLY A 427 AA3 5 6 O VAL A 426 ? O VAL A 426 N CYS A 19 ? N CYS A 19 AA3 6 7 N TRP A 16 ? N TRP A 16 O ASN A 28 ? O ASN A 28 AA3 7 8 N ALA A 31 ? N ALA A 31 O MET A 108 ? O MET A 108 AA3 8 9 N THR A 105 ? N THR A 105 O MET A 368 ? O MET A 368 AA3 9 10 O VAL A 367 ? O VAL A 367 N TYR A 142 ? N TYR A 142 AA3 10 11 N PHE A 143 ? N PHE A 143 O LEU A 210 ? O LEU A 210 AA3 11 12 N GLU A 209 ? N GLU A 209 O HIS A 225 ? O HIS A 225 AA4 1 2 O ILE A 329 ? O ILE A 329 N ILE A 303 ? N ILE A 303 AA4 2 3 N TYR A 307 ? N TYR A 307 O ILE A 314 ? O ILE A 314 AA5 1 2 N PHE A 117 ? N PHE A 117 O MET A 364 ? O MET A 364 AA6 1 2 N THR A 52 ? N THR A 52 O THR A 55 ? O THR A 55 AA7 1 2 N THR A 97 ? N THR A 97 O ASN A 100 ? O ASN A 100 AA8 1 2 N ILE A 180 ? N ILE A 180 O GLN A 183 ? O GLN A 183 AA9 1 2 N THR A 190 ? N THR A 190 O ILE A 200 ? O ILE A 200 AB1 1 2 N CYS A 206 ? N CYS A 206 O SER A 233 ? O SER A 233 AB2 1 2 N GLY A 272 ? N GLY A 272 O VAL A 277 ? O VAL A 277 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CBI 504 ? 19 'binding site for residue CBI A 504' AC2 Software A CE6 505 ? 46 'binding site for residue CE6 A 505' AC3 Software A K 506 ? 5 'binding site for residue K A 506' AC4 Software A K 507 ? 4 'binding site for residue K A 507' AC5 Software A K 508 ? 6 'binding site for residue K A 508' AC6 Software A NA 509 ? 3 'binding site for residue NA A 509' AC7 Software A CL 510 ? 4 'binding site for residue CL A 510' AC8 Software A NAG 503 ? 1 'binding site for Mono-Saccharide NAG A 503 bound to ASN A 45' AC9 Software A NAG 502 ? 6 'binding site for Mono-Saccharide NAG A 502 bound to ASN A 388' AD1 Software A NAG 501 ? 12 'binding site for Mono-Saccharide NAG A 501 bound to ASN A 430' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 19 GLN A 172 ? GLN A 172 . ? 1_555 ? 2 AC1 19 HIS A 225 ? HIS A 225 . ? 1_555 ? 3 AC1 19 THR A 243 ? THR A 243 . ? 1_555 ? 4 AC1 19 ARG A 248 ? ARG A 248 . ? 1_555 ? 5 AC1 19 PRO A 255 ? PRO A 255 . ? 1_555 ? 6 AC1 19 ASP A 256 ? ASP A 256 . ? 1_555 ? 7 AC1 19 ARG A 264 ? ARG A 264 . ? 1_555 ? 8 AC1 19 TRP A 380 ? TRP A 380 . ? 1_555 ? 9 AC1 19 ARG A 397 ? ARG A 397 . ? 1_555 ? 10 AC1 19 HOH L . ? HOH A 649 . ? 1_555 ? 11 AC1 19 HOH L . ? HOH A 652 . ? 1_555 ? 12 AC1 19 HOH L . ? HOH A 653 . ? 1_555 ? 13 AC1 19 HOH L . ? HOH A 695 . ? 1_555 ? 14 AC1 19 HOH L . ? HOH A 734 . ? 1_555 ? 15 AC1 19 HOH L . ? HOH A 737 . ? 1_555 ? 16 AC1 19 HOH L . ? HOH A 813 . ? 1_555 ? 17 AC1 19 HOH L . ? HOH A 830 . ? 1_555 ? 18 AC1 19 HOH L . ? HOH A 848 . ? 1_555 ? 19 AC1 19 HOH L . ? HOH A 998 . ? 1_555 ? 20 AC2 46 ASN A 37 ? ASN A 37 . ? 1_555 ? 21 AC2 46 TRP A 38 ? TRP A 38 . ? 1_555 ? 22 AC2 46 TRP A 40 ? TRP A 40 . ? 1_555 ? 23 AC2 46 ASN A 49 ? ASN A 49 . ? 1_555 ? 24 AC2 46 TYR A 51 ? TYR A 51 . ? 1_555 ? 25 AC2 46 ASN A 100 ? ASN A 100 . ? 1_555 ? 26 AC2 46 VAL A 101 ? VAL A 101 . ? 1_555 ? 27 AC2 46 ARG A 104 ? ARG A 104 . ? 1_555 ? 28 AC2 46 TYR A 142 ? TYR A 142 . ? 1_555 ? 29 AC2 46 ASP A 176 ? ASP A 176 . ? 1_555 ? 30 AC2 46 LYS A 178 ? LYS A 178 . ? 1_555 ? 31 AC2 46 ASN A 197 ? ASN A 197 . ? 1_555 ? 32 AC2 46 THR A 198 ? THR A 198 . ? 1_555 ? 33 AC2 46 TYR A 244 ? TYR A 244 . ? 1_555 ? 34 AC2 46 SER A 369 ? SER A 369 . ? 1_555 ? 35 AC2 46 TRP A 371 ? TRP A 371 . ? 1_555 ? 36 AC2 46 ASP A 372 ? ASP A 372 . ? 1_555 ? 37 AC2 46 K G . ? K A 506 . ? 1_555 ? 38 AC2 46 HOH L . ? HOH A 628 . ? 1_555 ? 39 AC2 46 HOH L . ? HOH A 637 . ? 1_555 ? 40 AC2 46 HOH L . ? HOH A 666 . ? 1_555 ? 41 AC2 46 HOH L . ? HOH A 691 . ? 1_555 ? 42 AC2 46 HOH L . ? HOH A 692 . ? 1_555 ? 43 AC2 46 HOH L . ? HOH A 709 . ? 1_555 ? 44 AC2 46 HOH L . ? HOH A 725 . ? 1_555 ? 45 AC2 46 HOH L . ? HOH A 750 . ? 1_555 ? 46 AC2 46 HOH L . ? HOH A 765 . ? 1_555 ? 47 AC2 46 HOH L . ? HOH A 776 . ? 1_555 ? 48 AC2 46 HOH L . ? HOH A 778 . ? 1_555 ? 49 AC2 46 HOH L . ? HOH A 789 . ? 1_555 ? 50 AC2 46 HOH L . ? HOH A 821 . ? 1_555 ? 51 AC2 46 HOH L . ? HOH A 833 . ? 1_555 ? 52 AC2 46 HOH L . ? HOH A 896 . ? 1_555 ? 53 AC2 46 HOH L . ? HOH A 904 . ? 1_555 ? 54 AC2 46 HOH L . ? HOH A 928 . ? 1_555 ? 55 AC2 46 HOH L . ? HOH A 941 . ? 1_555 ? 56 AC2 46 HOH L . ? HOH A 950 . ? 1_555 ? 57 AC2 46 HOH L . ? HOH A 985 . ? 1_555 ? 58 AC2 46 HOH L . ? HOH A 986 . ? 1_555 ? 59 AC2 46 HOH L . ? HOH A 1012 . ? 1_555 ? 60 AC2 46 HOH L . ? HOH A 1023 . ? 1_555 ? 61 AC2 46 HOH L . ? HOH A 1026 . ? 1_555 ? 62 AC2 46 HOH L . ? HOH A 1061 . ? 1_555 ? 63 AC2 46 HOH L . ? HOH A 1077 . ? 1_555 ? 64 AC2 46 HOH L . ? HOH A 1087 . ? 1_555 ? 65 AC2 46 HOH L . ? HOH A 1177 . ? 1_555 ? 66 AC3 5 ASP A 170 ? ASP A 170 . ? 1_555 ? 67 AC3 5 GLU A 209 ? GLU A 209 . ? 1_555 ? 68 AC3 5 CE6 F . ? CE6 A 505 . ? 1_555 ? 69 AC3 5 HOH L . ? HOH A 998 . ? 1_555 ? 70 AC3 5 HOH L . ? HOH A 1087 . ? 1_555 ? 71 AC4 4 THR A 86 ? THR A 86 . ? 1_555 ? 72 AC4 4 HOH L . ? HOH A 983 . ? 1_555 ? 73 AC4 4 HOH L . ? HOH A 1082 . ? 1_555 ? 74 AC4 4 HOH L . ? HOH A 1195 . ? 1_555 ? 75 AC5 6 THR A 297 ? THR A 297 . ? 3_445 ? 76 AC5 6 THR A 399 ? THR A 399 . ? 1_555 ? 77 AC5 6 HOH L . ? HOH A 827 . ? 3_445 ? 78 AC5 6 HOH L . ? HOH A 892 . ? 1_555 ? 79 AC5 6 HOH L . ? HOH A 955 . ? 1_555 ? 80 AC5 6 HOH L . ? HOH A 1208 . ? 3_445 ? 81 AC6 3 ASN A 310 ? ASN A 310 . ? 3_545 ? 82 AC6 3 THR A 344 ? THR A 344 . ? 1_555 ? 83 AC6 3 HOH L . ? HOH A 806 . ? 1_555 ? 84 AC7 4 ASP A 259 ? ASP A 259 . ? 1_555 ? 85 AC7 4 PHE A 260 ? PHE A 260 . ? 1_555 ? 86 AC7 4 ASN A 261 ? ASN A 261 . ? 1_555 ? 87 AC7 4 ARG A 264 ? ARG A 264 . ? 1_555 ? 88 AC8 1 ASN A 45 ? ASN A 45 . ? 1_555 ? 89 AC9 6 ASN A 388 ? ASN A 388 . ? 1_555 ? 90 AC9 6 HOH L . ? HOH A 609 . ? 1_555 ? 91 AC9 6 HOH L . ? HOH A 694 . ? 1_555 ? 92 AC9 6 HOH L . ? HOH A 731 . ? 1_555 ? 93 AC9 6 HOH L . ? HOH A 1107 . ? 1_555 ? 94 AC9 6 HOH L . ? HOH A 1153 . ? 1_555 ? 95 AD1 12 SER A 21 ? SER A 21 . ? 1_555 ? 96 AD1 12 TYR A 263 ? TYR A 263 . ? 4_556 ? 97 AD1 12 GLY A 266 ? GLY A 266 . ? 4_556 ? 98 AD1 12 THR A 268 ? THR A 268 . ? 4_556 ? 99 AD1 12 LYS A 320 ? LYS A 320 . ? 4_556 ? 100 AD1 12 ALA A 396 ? ALA A 396 . ? 4_556 ? 101 AD1 12 PHE A 429 ? PHE A 429 . ? 1_555 ? 102 AD1 12 ASN A 430 ? ASN A 430 . ? 1_555 ? 103 AD1 12 HOH L . ? HOH A 608 . ? 1_555 ? 104 AD1 12 HOH L . ? HOH A 815 . ? 4_556 ? 105 AD1 12 HOH L . ? HOH A 919 . ? 1_555 ? 106 AD1 12 HOH L . ? HOH A 958 . ? 1_555 ? # _atom_sites.entry_id 4XEB _atom_sites.fract_transf_matrix[1][1] 0.014090 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002174 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.016172 _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] 0.011786 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL K N NA O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num HETATM 1 N N . PCA A 1 1 ? 25.624 -0.812 1.391 1.00 7.75 ? 1 PCA A N 1 HETATM 2 C CA . PCA A 1 1 ? 24.391 -0.905 0.589 1.00 7.87 ? 1 PCA A CA 1 HETATM 3 C CB . PCA A 1 1 ? 23.276 -1.179 1.615 1.00 7.86 ? 1 PCA A CB 1 HETATM 4 C CG . PCA A 1 1 ? 23.840 -0.646 2.973 1.00 8.10 ? 1 PCA A CG 1 HETATM 5 C CD . PCA A 1 1 ? 25.351 -0.661 2.702 1.00 8.20 ? 1 PCA A CD 1 HETATM 6 O OE . PCA A 1 1 ? 26.210 -0.523 3.550 1.00 8.82 ? 1 PCA A OE 1 HETATM 7 C C . PCA A 1 1 ? 24.172 0.372 -0.200 1.00 8.02 ? 1 PCA A C 1 HETATM 8 O O . PCA A 1 1 ? 24.394 1.518 0.293 1.00 8.36 ? 1 PCA A O 1 ATOM 9 N N . GLN A 1 2 ? 23.682 0.146 -1.414 1.00 8.20 ? 2 GLN A N 1 ATOM 10 C CA . GLN A 1 2 ? 23.353 1.204 -2.343 1.00 8.43 ? 2 GLN A CA 1 ATOM 11 C C . GLN A 1 2 ? 21.908 1.665 -2.191 1.00 8.45 ? 2 GLN A C 1 ATOM 12 O O . GLN A 1 2 ? 21.063 1.047 -1.462 1.00 8.03 ? 2 GLN A O 1 ATOM 13 C CB . GLN A 1 2 ? 23.652 0.716 -3.767 1.00 9.00 ? 2 GLN A CB 1 ATOM 14 C CG . GLN A 1 2 ? 25.091 0.196 -3.983 1.00 9.17 ? 2 GLN A CG 1 ATOM 15 C CD . GLN A 1 2 ? 26.161 1.158 -3.572 1.00 10.29 ? 2 GLN A CD 1 ATOM 16 O OE1 . GLN A 1 2 ? 26.185 2.297 -4.057 1.00 12.82 ? 2 GLN A OE1 1 ATOM 17 N NE2 . GLN A 1 2 ? 27.050 0.753 -2.637 1.00 9.76 ? 2 GLN A NE2 1 ATOM 18 N N . ILE A 1 3 ? 21.633 2.727 -2.950 1.00 9.14 ? 3 ILE A N 1 ATOM 19 C CA . ILE A 1 3 ? 20.306 3.399 -2.971 1.00 9.67 ? 3 ILE A CA 1 ATOM 20 C C . ILE A 1 3 ? 19.529 2.924 -4.179 1.00 9.64 ? 3 ILE A C 1 ATOM 21 O O . ILE A 1 3 ? 19.947 3.074 -5.300 1.00 10.27 ? 3 ILE A O 1 ATOM 22 C CB . ILE A 1 3 ? 20.438 4.906 -3.032 1.00 9.21 ? 3 ILE A CB 1 ATOM 23 C CG1 . ILE A 1 3 ? 21.129 5.366 -1.778 1.00 9.83 ? 3 ILE A CG1 1 ATOM 24 C CG2 . ILE A 1 3 ? 19.052 5.544 -3.269 1.00 9.28 ? 3 ILE A CG2 1 ATOM 25 C CD1 . ILE A 1 3 ? 21.537 6.853 -1.773 1.00 10.14 ? 3 ILE A CD1 1 ATOM 26 N N . GLY A 1 4 ? 18.389 2.302 -3.950 1.00 11.31 ? 4 GLY A N 1 ATOM 27 C CA . GLY A 1 4 ? 17.557 1.817 -5.046 1.00 11.74 ? 4 GLY A CA 1 ATOM 28 C C . GLY A 1 4 ? 16.636 2.889 -5.579 1.00 12.77 ? 4 GLY A C 1 ATOM 29 O O . GLY A 1 4 ? 16.364 3.849 -4.895 1.00 12.96 ? 4 GLY A O 1 ATOM 30 N N . THR A 1 5 ? 16.154 2.640 -6.795 1.00 13.17 ? 5 THR A N 1 ATOM 31 C CA . THR A 1 5 ? 15.419 3.620 -7.581 1.00 16.13 ? 5 THR A CA 1 ATOM 32 C C . THR A 1 5 ? 13.927 3.263 -7.839 1.00 14.60 ? 5 THR A C 1 ATOM 33 O O . THR A 1 5 ? 13.190 4.069 -8.440 1.00 16.72 ? 5 THR A O 1 ATOM 34 C CB . THR A 1 5 ? 16.125 3.828 -8.961 1.00 17.10 ? 5 THR A CB 1 ATOM 35 O OG1 . THR A 1 5 ? 16.078 2.608 -9.721 1.00 19.51 ? 5 THR A OG1 1 ATOM 36 C CG2 . THR A 1 5 ? 17.586 4.298 -8.843 1.00 18.30 ? 5 THR A CG2 1 ATOM 37 N N . TYR A 1 6 ? 13.465 2.082 -7.448 1.00 12.62 ? 6 TYR A N 1 ATOM 38 C CA . TYR A 1 6 ? 12.141 1.641 -7.836 1.00 13.38 ? 6 TYR A CA 1 ATOM 39 C C . TYR A 1 6 ? 10.990 2.310 -7.075 1.00 13.03 ? 6 TYR A C 1 ATOM 40 O O . TYR A 1 6 ? 9.876 2.463 -7.636 1.00 13.02 ? 6 TYR A O 1 ATOM 41 C CB . TYR A 1 6 ? 12.031 0.092 -7.775 1.00 14.97 ? 6 TYR A CB 1 ATOM 42 C CG . TYR A 1 6 ? 12.864 -0.613 -8.843 1.00 17.08 ? 6 TYR A CG 1 ATOM 43 C CD1 . TYR A 1 6 ? 14.194 -0.942 -8.625 1.00 18.41 ? 6 TYR A CD1 1 ATOM 44 C CD2 . TYR A 1 6 ? 12.310 -0.955 -10.080 1.00 20.91 ? 6 TYR A CD2 1 ATOM 45 C CE1 . TYR A 1 6 ? 14.979 -1.575 -9.618 1.00 19.91 ? 6 TYR A CE1 1 ATOM 46 C CE2 . TYR A 1 6 ? 13.066 -1.623 -11.063 1.00 22.91 ? 6 TYR A CE2 1 ATOM 47 C CZ . TYR A 1 6 ? 14.417 -1.909 -10.843 1.00 23.11 ? 6 TYR A CZ 1 ATOM 48 O OH . TYR A 1 6 ? 15.176 -2.540 -11.847 1.00 22.84 ? 6 TYR A OH 1 ATOM 49 N N . THR A 1 7 ? 11.218 2.687 -5.812 1.00 12.24 ? 7 THR A N 1 ATOM 50 C CA . THR A 1 7 ? 10.190 3.227 -4.913 1.00 13.07 ? 7 THR A CA 1 ATOM 51 C C . THR A 1 7 ? 10.816 4.382 -4.146 1.00 12.41 ? 7 THR A C 1 ATOM 52 O O . THR A 1 7 ? 11.796 4.165 -3.392 1.00 10.78 ? 7 THR A O 1 ATOM 53 C CB . THR A 1 7 ? 9.741 2.158 -3.882 1.00 15.56 ? 7 THR A CB 1 ATOM 54 O OG1 . THR A 1 7 ? 9.312 0.992 -4.579 1.00 21.03 ? 7 THR A OG1 1 ATOM 55 C CG2 . THR A 1 7 ? 8.554 2.615 -3.005 1.00 15.51 ? 7 THR A CG2 1 ATOM 56 N N . ALA A 1 8 ? 10.259 5.587 -4.311 1.00 11.54 ? 8 ALA A N 1 ATOM 57 C CA . ALA A 1 8 ? 10.749 6.755 -3.606 1.00 11.53 ? 8 ALA A CA 1 ATOM 58 C C . ALA A 1 8 ? 10.672 6.467 -2.092 1.00 11.42 ? 8 ALA A C 1 ATOM 59 O O . ALA A 1 8 ? 9.708 5.816 -1.603 1.00 10.27 ? 8 ALA A O 1 ATOM 60 C CB . ALA A 1 8 ? 9.895 7.982 -3.953 1.00 11.66 ? 8 ALA A CB 1 ATOM 61 N N . GLU A 1 9 ? 11.697 6.909 -1.384 1.00 11.05 ? 9 GLU A N 1 ATOM 62 C CA . GLU A 1 9 ? 11.747 6.804 0.090 1.00 10.05 ? 9 GLU A CA 1 ATOM 63 C C . GLU A 1 9 ? 11.270 8.144 0.671 1.00 10.74 ? 9 GLU A C 1 ATOM 64 O O . GLU A 1 9 ? 11.915 9.204 0.426 1.00 10.53 ? 9 GLU A O 1 ATOM 65 C CB . GLU A 1 9 ? 13.165 6.481 0.561 1.00 10.07 ? 9 GLU A CB 1 ATOM 66 C CG . GLU A 1 9 ? 13.385 6.348 2.064 1.00 9.57 ? 9 GLU A CG 1 ATOM 67 C CD . GLU A 1 9 ? 12.493 5.293 2.769 1.00 9.53 ? 9 GLU A CD 1 ATOM 68 O OE1 . GLU A 1 9 ? 11.814 4.423 2.129 1.00 8.45 ? 9 GLU A OE1 1 ATOM 69 O OE2 . GLU A 1 9 ? 12.398 5.352 4.044 1.00 10.52 ? 9 GLU A OE2 1 ATOM 70 N N . THR A 1 10 ? 10.137 8.094 1.380 1.00 9.83 ? 10 THR A N 1 ATOM 71 C CA . THR A 1 10 ? 9.516 9.261 2.011 1.00 10.20 ? 10 THR A CA 1 ATOM 72 C C . THR A 1 10 ? 9.202 8.933 3.477 1.00 9.64 ? 10 THR A C 1 ATOM 73 O O . THR A 1 10 ? 8.278 8.151 3.783 1.00 9.69 ? 10 THR A O 1 ATOM 74 C CB . THR A 1 10 ? 8.216 9.701 1.287 1.00 10.65 ? 10 THR A CB 1 ATOM 75 O OG1 . THR A 1 10 ? 8.539 10.060 -0.055 1.00 11.73 ? 10 THR A OG1 1 ATOM 76 C CG2 . THR A 1 10 ? 7.611 10.886 1.941 1.00 10.97 ? 10 THR A CG2 1 ATOM 77 N N . HIS A 1 11 ? 10.005 9.503 4.372 1.00 9.12 ? 11 HIS A N 1 ATOM 78 C CA . HIS A 1 11 ? 9.918 9.264 5.817 1.00 8.38 ? 11 HIS A CA 1 ATOM 79 C C . HIS A 1 11 ? 8.648 9.877 6.314 1.00 8.55 ? 11 HIS A C 1 ATOM 80 O O . HIS A 1 11 ? 8.398 11.064 6.029 1.00 7.41 ? 11 HIS A O 1 ATOM 81 C CB . HIS A 1 11 ? 11.115 9.872 6.576 1.00 8.03 ? 11 HIS A CB 1 ATOM 82 C CG . HIS A 1 11 ? 12.429 9.377 6.079 1.00 8.00 ? 11 HIS A CG 1 ATOM 83 N ND1 . HIS A 1 11 ? 13.491 10.204 5.831 1.00 7.83 ? 11 HIS A ND1 1 ATOM 84 C CD2 . HIS A 1 11 ? 12.821 8.138 5.682 1.00 7.83 ? 11 HIS A CD2 1 ATOM 85 C CE1 . HIS A 1 11 ? 14.502 9.486 5.371 1.00 7.80 ? 11 HIS A CE1 1 ATOM 86 N NE2 . HIS A 1 11 ? 14.115 8.239 5.248 1.00 8.26 ? 11 HIS A NE2 1 ATOM 87 N N . PRO A 1 12 ? 7.823 9.080 7.003 1.00 7.97 ? 12 PRO A N 1 ATOM 88 C CA . PRO A 1 12 ? 6.634 9.654 7.567 1.00 8.16 ? 12 PRO A CA 1 ATOM 89 C C . PRO A 1 12 ? 7.009 10.707 8.609 1.00 7.94 ? 12 PRO A C 1 ATOM 90 O O . PRO A 1 12 ? 7.959 10.544 9.339 1.00 7.54 ? 12 PRO A O 1 ATOM 91 C CB . PRO A 1 12 ? 5.942 8.471 8.229 1.00 8.43 ? 12 PRO A CB 1 ATOM 92 C CG . PRO A 1 12 ? 6.433 7.254 7.539 1.00 8.51 ? 12 PRO A CG 1 ATOM 93 C CD . PRO A 1 12 ? 7.841 7.592 7.117 1.00 8.28 ? 12 PRO A CD 1 ATOM 94 N N A SER A 1 13 ? 6.195 11.772 8.651 0.56 8.02 ? 13 SER A N 1 ATOM 95 N N B SER A 1 13 ? 6.315 11.845 8.598 0.44 8.08 ? 13 SER A N 1 ATOM 96 C CA A SER A 1 13 ? 6.400 12.943 9.512 0.56 7.82 ? 13 SER A CA 1 ATOM 97 C CA B SER A 1 13 ? 6.681 12.934 9.492 0.44 7.95 ? 13 SER A CA 1 ATOM 98 C C A SER A 1 13 ? 6.146 12.605 10.974 0.56 7.61 ? 13 SER A C 1 ATOM 99 C C B SER A 1 13 ? 6.180 12.663 10.916 0.44 7.71 ? 13 SER A C 1 ATOM 100 O O A SER A 1 13 ? 5.226 11.897 11.270 0.56 7.54 ? 13 SER A O 1 ATOM 101 O O B SER A 1 13 ? 5.136 12.072 11.112 0.44 7.52 ? 13 SER A O 1 ATOM 102 C CB A SER A 1 13 ? 5.421 14.061 9.069 0.56 8.17 ? 13 SER A CB 1 ATOM 103 C CB B SER A 1 13 ? 6.131 14.262 8.987 0.44 8.40 ? 13 SER A CB 1 ATOM 104 O OG A SER A 1 13 ? 5.845 14.563 7.818 0.56 8.71 ? 13 SER A OG 1 ATOM 105 O OG B SER A 1 13 ? 5.696 15.008 10.092 0.44 9.20 ? 13 SER A OG 1 ATOM 106 N N . LEU A 1 14 ? 6.944 13.156 11.885 1.00 7.65 ? 14 LEU A N 1 ATOM 107 C CA . LEU A 1 14 ? 6.690 12.969 13.319 1.00 7.55 ? 14 LEU A CA 1 ATOM 108 C C . LEU A 1 14 ? 7.255 14.181 14.011 1.00 7.71 ? 14 LEU A C 1 ATOM 109 O O . LEU A 1 14 ? 8.436 14.412 13.992 1.00 7.18 ? 14 LEU A O 1 ATOM 110 C CB . LEU A 1 14 ? 7.340 11.680 13.833 1.00 7.36 ? 14 LEU A CB 1 ATOM 111 C CG . LEU A 1 14 ? 7.065 11.363 15.307 1.00 7.65 ? 14 LEU A CG 1 ATOM 112 C CD1 . LEU A 1 14 ? 5.578 11.104 15.570 1.00 7.48 ? 14 LEU A CD1 1 ATOM 113 C CD2 . LEU A 1 14 ? 7.990 10.270 15.854 1.00 7.80 ? 14 LEU A CD2 1 ATOM 114 N N . SER A 1 15 ? 6.421 14.931 14.688 1.00 7.84 ? 15 SER A N 1 ATOM 115 C CA . SER A 1 15 ? 6.956 16.064 15.458 1.00 8.01 ? 15 SER A CA 1 ATOM 116 C C . SER A 1 15 ? 7.388 15.587 16.866 1.00 8.17 ? 15 SER A C 1 ATOM 117 O O . SER A 1 15 ? 6.955 14.530 17.370 1.00 8.07 ? 15 SER A O 1 ATOM 118 C CB . SER A 1 15 ? 5.968 17.202 15.595 1.00 8.75 ? 15 SER A CB 1 ATOM 119 O OG . SER A 1 15 ? 4.800 16.774 16.238 1.00 9.90 ? 15 SER A OG 1 ATOM 120 N N . TRP A 1 16 ? 8.254 16.395 17.445 1.00 7.63 ? 16 TRP A N 1 ATOM 121 C CA . TRP A 1 16 ? 8.715 16.237 18.835 1.00 8.24 ? 16 TRP A CA 1 ATOM 122 C C . TRP A 1 16 ? 9.160 17.583 19.379 1.00 8.18 ? 16 TRP A C 1 ATOM 123 O O . TRP A 1 16 ? 9.248 18.563 18.633 1.00 8.56 ? 16 TRP A O 1 ATOM 124 C CB . TRP A 1 16 ? 9.841 15.182 18.924 1.00 7.75 ? 16 TRP A CB 1 ATOM 125 C CG . TRP A 1 16 ? 11.043 15.537 18.108 1.00 8.20 ? 16 TRP A CG 1 ATOM 126 C CD1 . TRP A 1 16 ? 11.146 15.492 16.768 1.00 8.04 ? 16 TRP A CD1 1 ATOM 127 C CD2 . TRP A 1 16 ? 12.261 16.049 18.594 1.00 8.30 ? 16 TRP A CD2 1 ATOM 128 N NE1 . TRP A 1 16 ? 12.392 15.880 16.368 1.00 8.17 ? 16 TRP A NE1 1 ATOM 129 C CE2 . TRP A 1 16 ? 13.099 16.242 17.488 1.00 8.52 ? 16 TRP A CE2 1 ATOM 130 C CE3 . TRP A 1 16 ? 12.741 16.341 19.864 1.00 8.78 ? 16 TRP A CE3 1 ATOM 131 C CZ2 . TRP A 1 16 ? 14.370 16.735 17.609 1.00 8.72 ? 16 TRP A CZ2 1 ATOM 132 C CZ3 . TRP A 1 16 ? 14.023 16.830 19.986 1.00 8.71 ? 16 TRP A CZ3 1 ATOM 133 C CH2 . TRP A 1 16 ? 14.815 17.017 18.890 1.00 9.52 ? 16 TRP A CH2 1 ATOM 134 N N . SER A 1 17 ? 9.411 17.652 20.677 1.00 8.30 ? 17 SER A N 1 ATOM 135 C CA . SER A 1 17 ? 9.591 18.963 21.365 1.00 8.57 ? 17 SER A CA 1 ATOM 136 C C . SER A 1 17 ? 10.938 19.074 22.074 1.00 9.44 ? 17 SER A C 1 ATOM 137 O O . SER A 1 17 ? 11.436 18.115 22.668 1.00 8.22 ? 17 SER A O 1 ATOM 138 C CB . SER A 1 17 ? 8.457 19.225 22.353 1.00 8.77 ? 17 SER A CB 1 ATOM 139 O OG . SER A 1 17 ? 7.226 19.208 21.633 1.00 9.89 ? 17 SER A OG 1 ATOM 140 N N . THR A 1 18 ? 11.492 20.258 22.023 1.00 10.38 ? 18 THR A N 1 ATOM 141 C CA . THR A 1 18 ? 12.629 20.623 22.863 1.00 11.67 ? 18 THR A CA 1 ATOM 142 C C . THR A 1 18 ? 12.112 21.656 23.859 1.00 13.63 ? 18 THR A C 1 ATOM 143 O O . THR A 1 18 ? 11.469 22.650 23.475 1.00 12.72 ? 18 THR A O 1 ATOM 144 C CB . THR A 1 18 ? 13.714 21.248 22.020 1.00 12.96 ? 18 THR A CB 1 ATOM 145 O OG1 . THR A 1 18 ? 14.131 20.269 21.052 1.00 13.92 ? 18 THR A OG1 1 ATOM 146 C CG2 . THR A 1 18 ? 14.996 21.657 22.917 1.00 13.89 ? 18 THR A CG2 1 ATOM 147 N N . CYS A 1 19 ? 12.429 21.438 25.135 1.00 14.47 ? 19 CYS A N 1 ATOM 148 C CA . CYS A 1 19 ? 11.894 22.240 26.198 1.00 14.29 ? 19 CYS A CA 1 ATOM 149 C C . CYS A 1 19 ? 12.999 23.026 26.874 1.00 14.23 ? 19 CYS A C 1 ATOM 150 O O . CYS A 1 19 ? 14.126 22.631 26.872 1.00 10.64 ? 19 CYS A O 1 ATOM 151 C CB . CYS A 1 19 ? 11.173 21.358 27.191 1.00 16.51 ? 19 CYS A CB 1 ATOM 152 S SG . CYS A 1 19 ? 9.827 20.514 26.358 1.00 20.44 ? 19 CYS A SG 1 ATOM 153 N N . LYS A 1 20 ? 12.640 24.198 27.376 1.00 15.48 ? 20 LYS A N 1 ATOM 154 C CA . LYS A 1 20 ? 13.586 25.062 28.079 1.00 19.40 ? 20 LYS A CA 1 ATOM 155 C C . LYS A 1 20 ? 13.085 25.285 29.513 1.00 18.30 ? 20 LYS A C 1 ATOM 156 O O . LYS A 1 20 ? 11.865 25.246 29.768 1.00 17.48 ? 20 LYS A O 1 ATOM 157 C CB . LYS A 1 20 ? 13.706 26.396 27.328 1.00 23.30 ? 20 LYS A CB 1 ATOM 158 C CG . LYS A 1 20 ? 14.639 26.311 26.120 1.00 31.54 ? 20 LYS A CG 1 ATOM 159 C CD . LYS A 1 20 ? 14.700 27.637 25.381 1.00 40.52 ? 20 LYS A CD 1 ATOM 160 C CE . LYS A 1 20 ? 15.775 27.629 24.285 1.00 45.41 ? 20 LYS A CE 1 ATOM 161 N NZ . LYS A 1 20 ? 15.965 28.984 23.661 1.00 49.94 ? 20 LYS A NZ 1 ATOM 162 N N . SER A 1 21 ? 13.996 25.522 30.450 1.00 22.29 ? 21 SER A N 1 ATOM 163 C CA . SER A 1 21 ? 13.543 25.848 31.845 1.00 26.91 ? 21 SER A CA 1 ATOM 164 C C . SER A 1 21 ? 12.683 27.100 31.920 1.00 28.78 ? 21 SER A C 1 ATOM 165 O O . SER A 1 21 ? 13.025 28.078 31.242 1.00 31.36 ? 21 SER A O 1 ATOM 166 C CB . SER A 1 21 ? 14.739 26.037 32.788 1.00 32.15 ? 21 SER A CB 1 ATOM 167 O OG . SER A 1 21 ? 15.286 24.794 33.181 1.00 36.89 ? 21 SER A OG 1 ATOM 168 N N . SER A 1 24 ? 8.568 26.553 28.501 1.00 33.01 ? 24 SER A N 1 ATOM 169 C CA . SER A 1 24 ? 8.671 27.016 27.121 1.00 34.70 ? 24 SER A CA 1 ATOM 170 C C . SER A 1 24 ? 9.175 25.873 26.201 1.00 34.20 ? 24 SER A C 1 ATOM 171 O O . SER A 1 24 ? 10.315 25.430 26.330 1.00 32.11 ? 24 SER A O 1 ATOM 172 C CB . SER A 1 24 ? 9.643 28.205 27.096 1.00 37.37 ? 24 SER A CB 1 ATOM 173 O OG . SER A 1 24 ? 10.195 28.510 25.821 1.00 38.47 ? 24 SER A OG 1 ATOM 174 N N . CYS A 1 25 ? 8.331 25.362 25.313 1.00 30.07 ? 25 CYS A N 1 ATOM 175 C CA . CYS A 1 25 ? 8.757 24.260 24.413 1.00 26.81 ? 25 CYS A CA 1 ATOM 176 C C . CYS A 1 25 ? 8.624 24.682 22.932 1.00 25.60 ? 25 CYS A C 1 ATOM 177 O O . CYS A 1 25 ? 7.801 25.517 22.555 1.00 25.28 ? 25 CYS A O 1 ATOM 178 C CB . CYS A 1 25 ? 8.066 22.884 24.718 1.00 28.14 ? 25 CYS A CB 1 ATOM 179 S SG . CYS A 1 25 ? 8.362 22.055 26.386 1.00 34.43 ? 25 CYS A SG 1 ATOM 180 N N . THR A 1 26 ? 9.474 24.107 22.112 1.00 20.54 ? 26 THR A N 1 ATOM 181 C CA . THR A 1 26 ? 9.505 24.330 20.671 1.00 19.87 ? 26 THR A CA 1 ATOM 182 C C . THR A 1 26 ? 9.197 23.014 20.016 1.00 16.19 ? 26 THR A C 1 ATOM 183 O O . THR A 1 26 ? 9.849 22.028 20.359 1.00 12.82 ? 26 THR A O 1 ATOM 184 C CB . THR A 1 26 ? 10.936 24.694 20.275 1.00 21.51 ? 26 THR A CB 1 ATOM 185 O OG1 . THR A 1 26 ? 11.160 26.004 20.760 1.00 28.28 ? 26 THR A OG1 1 ATOM 186 C CG2 . THR A 1 26 ? 11.147 24.668 18.757 1.00 24.66 ? 26 THR A CG2 1 ATOM 187 N N . THR A 1 27 ? 8.267 23.032 19.067 1.00 15.12 ? 27 THR A N 1 ATOM 188 C CA . THR A 1 27 ? 7.891 21.858 18.294 1.00 14.85 ? 27 THR A CA 1 ATOM 189 C C . THR A 1 27 ? 8.850 21.677 17.131 1.00 15.98 ? 27 THR A C 1 ATOM 190 O O . THR A 1 27 ? 8.951 22.533 16.259 1.00 18.26 ? 27 THR A O 1 ATOM 191 C CB . THR A 1 27 ? 6.466 22.027 17.748 1.00 17.27 ? 27 THR A CB 1 ATOM 192 O OG1 . THR A 1 27 ? 5.584 22.390 18.809 1.00 19.79 ? 27 THR A OG1 1 ATOM 193 C CG2 . THR A 1 27 ? 5.947 20.734 17.134 1.00 17.56 ? 27 THR A CG2 1 ATOM 194 N N . ASN A 1 28 ? 9.604 20.578 17.095 1.00 13.93 ? 28 ASN A N 1 ATOM 195 C CA . ASN A 1 28 ? 10.539 20.337 16.040 1.00 13.31 ? 28 ASN A CA 1 ATOM 196 C C . ASN A 1 28 ? 9.876 19.456 14.990 1.00 14.03 ? 28 ASN A C 1 ATOM 197 O O . ASN A 1 28 ? 9.024 18.629 15.293 1.00 11.71 ? 28 ASN A O 1 ATOM 198 C CB . ASN A 1 28 ? 11.760 19.594 16.535 1.00 14.31 ? 28 ASN A CB 1 ATOM 199 C CG . ASN A 1 28 ? 12.415 20.285 17.725 1.00 15.23 ? 28 ASN A CG 1 ATOM 200 O OD1 . ASN A 1 28 ? 12.715 21.478 17.660 1.00 20.14 ? 28 ASN A OD1 1 ATOM 201 N ND2 . ASN A 1 28 ? 12.541 19.590 18.823 1.00 13.52 ? 28 ASN A ND2 1 ATOM 202 N N . SER A 1 29 ? 10.296 19.655 13.748 1.00 15.33 ? 29 SER A N 1 ATOM 203 C CA . SER A 1 29 ? 9.854 18.833 12.640 1.00 16.23 ? 29 SER A CA 1 ATOM 204 C C . SER A 1 29 ? 10.757 17.662 12.532 1.00 15.05 ? 29 SER A C 1 ATOM 205 O O . SER A 1 29 ? 11.980 17.798 12.274 1.00 20.17 ? 29 SER A O 1 ATOM 206 C CB . SER A 1 29 ? 9.957 19.664 11.339 1.00 18.82 ? 29 SER A CB 1 ATOM 207 O OG . SER A 1 29 ? 8.930 20.646 11.390 1.00 21.95 ? 29 SER A OG 1 ATOM 208 N N . GLY A 1 30 ? 10.193 16.484 12.650 1.00 12.51 ? 30 GLY A N 1 ATOM 209 C CA . GLY A 1 30 ? 10.992 15.291 12.539 1.00 9.81 ? 30 GLY A CA 1 ATOM 210 C C . GLY A 1 30 ? 10.316 14.324 11.602 1.00 8.71 ? 30 GLY A C 1 ATOM 211 O O . GLY A 1 30 ? 9.311 14.639 10.946 1.00 7.55 ? 30 GLY A O 1 ATOM 212 N N . ALA A 1 31 ? 10.882 13.115 11.535 1.00 7.88 ? 31 ALA A N 1 ATOM 213 C CA . ALA A 1 31 ? 10.352 12.082 10.679 1.00 7.28 ? 31 ALA A CA 1 ATOM 214 C C . ALA A 1 31 ? 10.991 10.754 11.097 1.00 7.15 ? 31 ALA A C 1 ATOM 215 O O . ALA A 1 31 ? 11.951 10.749 11.866 1.00 7.21 ? 31 ALA A O 1 ATOM 216 C CB . ALA A 1 31 ? 10.666 12.450 9.222 1.00 7.86 ? 31 ALA A CB 1 ATOM 217 N N . ILE A 1 32 ? 10.465 9.647 10.617 1.00 6.87 ? 32 ILE A N 1 ATOM 218 C CA . ILE A 1 32 ? 11.003 8.314 11.008 1.00 7.12 ? 32 ILE A CA 1 ATOM 219 C C . ILE A 1 32 ? 11.332 7.509 9.754 1.00 6.29 ? 32 ILE A C 1 ATOM 220 O O . ILE A 1 32 ? 10.777 7.764 8.681 1.00 6.35 ? 32 ILE A O 1 ATOM 221 C CB . ILE A 1 32 ? 10.096 7.491 11.990 1.00 8.02 ? 32 ILE A CB 1 ATOM 222 C CG1 . ILE A 1 32 ? 8.749 7.157 11.406 1.00 9.02 ? 32 ILE A CG1 1 ATOM 223 C CG2 . ILE A 1 32 ? 9.960 8.180 13.356 1.00 7.95 ? 32 ILE A CG2 1 ATOM 224 C CD1 . ILE A 1 32 ? 8.721 5.832 10.705 1.00 9.60 ? 32 ILE A CD1 1 ATOM 225 N N . THR A 1 33 ? 12.340 6.669 9.876 1.00 5.39 ? 33 THR A N 1 ATOM 226 C CA . THR A 1 33 ? 12.706 5.726 8.858 1.00 5.10 ? 33 THR A CA 1 ATOM 227 C C . THR A 1 33 ? 12.648 4.319 9.384 1.00 4.72 ? 33 THR A C 1 ATOM 228 O O . THR A 1 33 ? 12.796 4.085 10.568 1.00 4.45 ? 33 THR A O 1 ATOM 229 C CB . THR A 1 33 ? 14.100 5.999 8.220 1.00 5.34 ? 33 THR A CB 1 ATOM 230 O OG1 . THR A 1 33 ? 14.196 5.304 6.973 1.00 5.11 ? 33 THR A OG1 1 ATOM 231 C CG2 . THR A 1 33 ? 15.272 5.507 9.012 1.00 5.20 ? 33 THR A CG2 1 ATOM 232 N N . LEU A 1 34 ? 12.447 3.395 8.466 1.00 4.46 ? 34 LEU A N 1 ATOM 233 C CA . LEU A 1 34 ? 12.393 1.973 8.725 1.00 4.78 ? 34 LEU A CA 1 ATOM 234 C C . LEU A 1 34 ? 13.802 1.329 8.610 1.00 4.57 ? 34 LEU A C 1 ATOM 235 O O . LEU A 1 34 ? 14.566 1.586 7.679 1.00 4.43 ? 34 LEU A O 1 ATOM 236 C CB . LEU A 1 34 ? 11.393 1.285 7.758 1.00 4.95 ? 34 LEU A CB 1 ATOM 237 C CG . LEU A 1 34 ? 11.240 -0.233 7.825 1.00 4.99 ? 34 LEU A CG 1 ATOM 238 C CD1 . LEU A 1 34 ? 10.665 -0.716 9.136 1.00 5.10 ? 34 LEU A CD1 1 ATOM 239 C CD2 . LEU A 1 34 ? 10.428 -0.708 6.662 1.00 5.06 ? 34 LEU A CD2 1 ATOM 240 N N . ASP A 1 35 ? 14.104 0.447 9.540 1.00 4.87 ? 35 ASP A N 1 ATOM 241 C CA . ASP A 1 35 ? 15.382 -0.236 9.541 1.00 4.89 ? 35 ASP A CA 1 ATOM 242 C C . ASP A 1 35 ? 15.561 -1.028 8.234 1.00 5.04 ? 35 ASP A C 1 ATOM 243 O O . ASP A 1 35 ? 14.589 -1.672 7.723 1.00 4.85 ? 35 ASP A O 1 ATOM 244 C CB . ASP A 1 35 ? 15.420 -1.227 10.750 1.00 4.94 ? 35 ASP A CB 1 ATOM 245 C CG . ASP A 1 35 ? 16.705 -2.042 10.784 1.00 4.96 ? 35 ASP A CG 1 ATOM 246 O OD1 . ASP A 1 35 ? 17.692 -1.555 11.399 1.00 4.78 ? 35 ASP A OD1 1 ATOM 247 O OD2 . ASP A 1 35 ? 16.700 -3.153 10.172 1.00 5.19 ? 35 ASP A OD2 1 ATOM 248 N N . ALA A 1 36 ? 16.814 -1.172 7.806 1.00 5.23 ? 36 ALA A N 1 ATOM 249 C CA . ALA A 1 36 ? 17.154 -1.704 6.494 1.00 5.65 ? 36 ALA A CA 1 ATOM 250 C C . ALA A 1 36 ? 16.790 -3.206 6.348 1.00 5.74 ? 36 ALA A C 1 ATOM 251 O O . ALA A 1 36 ? 16.488 -3.688 5.234 1.00 6.23 ? 36 ALA A O 1 ATOM 252 C CB . ALA A 1 36 ? 18.677 -1.552 6.260 1.00 5.79 ? 36 ALA A CB 1 ATOM 253 N N . ASN A 1 37 ? 16.774 -3.950 7.463 1.00 6.06 ? 37 ASN A N 1 ATOM 254 C CA . ASN A 1 37 ? 16.481 -5.389 7.415 1.00 5.93 ? 37 ASN A CA 1 ATOM 255 C C . ASN A 1 37 ? 15.099 -5.721 6.909 1.00 5.66 ? 37 ASN A C 1 ATOM 256 O O . ASN A 1 37 ? 14.871 -6.862 6.455 1.00 5.45 ? 37 ASN A O 1 ATOM 257 C CB . ASN A 1 37 ? 16.644 -6.074 8.766 1.00 6.40 ? 37 ASN A CB 1 ATOM 258 C CG . ASN A 1 37 ? 17.926 -6.822 8.888 1.00 6.33 ? 37 ASN A CG 1 ATOM 259 O OD1 . ASN A 1 37 ? 18.964 -6.310 8.514 1.00 6.56 ? 37 ASN A OD1 1 ATOM 260 N ND2 . ASN A 1 37 ? 17.893 -8.014 9.515 1.00 6.26 ? 37 ASN A ND2 1 ATOM 261 N N . TRP A 1 38 ? 14.162 -4.766 6.976 1.00 5.69 ? 38 TRP A N 1 ATOM 262 C CA . TRP A 1 38 ? 12.775 -4.991 6.518 1.00 5.40 ? 38 TRP A CA 1 ATOM 263 C C . TRP A 1 38 ? 12.626 -4.733 5.052 1.00 5.46 ? 38 TRP A C 1 ATOM 264 O O . TRP A 1 38 ? 11.573 -5.035 4.468 1.00 5.45 ? 38 TRP A O 1 ATOM 265 C CB . TRP A 1 38 ? 11.790 -4.042 7.210 1.00 5.78 ? 38 TRP A CB 1 ATOM 266 C CG . TRP A 1 38 ? 11.324 -4.461 8.544 1.00 6.00 ? 38 TRP A CG 1 ATOM 267 C CD1 . TRP A 1 38 ? 10.076 -4.863 8.845 1.00 6.53 ? 38 TRP A CD1 1 ATOM 268 C CD2 . TRP A 1 38 ? 12.074 -4.538 9.769 1.00 6.50 ? 38 TRP A CD2 1 ATOM 269 N NE1 . TRP A 1 38 ? 9.966 -5.154 10.171 1.00 6.73 ? 38 TRP A NE1 1 ATOM 270 C CE2 . TRP A 1 38 ? 11.192 -4.989 10.755 1.00 6.63 ? 38 TRP A CE2 1 ATOM 271 C CE3 . TRP A 1 38 ? 13.424 -4.275 10.131 1.00 6.75 ? 38 TRP A CE3 1 ATOM 272 C CZ2 . TRP A 1 38 ? 11.580 -5.169 12.092 1.00 7.09 ? 38 TRP A CZ2 1 ATOM 273 C CZ3 . TRP A 1 38 ? 13.809 -4.446 11.467 1.00 6.87 ? 38 TRP A CZ3 1 ATOM 274 C CH2 . TRP A 1 38 ? 12.918 -4.887 12.415 1.00 6.97 ? 38 TRP A CH2 1 ATOM 275 N N . ARG A 1 39 ? 13.611 -4.113 4.431 1.00 5.18 ? 39 ARG A N 1 ATOM 276 C CA . ARG A 1 39 ? 13.509 -3.630 3.063 1.00 5.60 ? 39 ARG A CA 1 ATOM 277 C C . ARG A 1 39 ? 13.765 -4.638 1.961 1.00 6.23 ? 39 ARG A C 1 ATOM 278 O O . ARG A 1 39 ? 14.462 -5.647 2.161 1.00 6.43 ? 39 ARG A O 1 ATOM 279 C CB . ARG A 1 39 ? 14.481 -2.447 2.860 1.00 5.29 ? 39 ARG A CB 1 ATOM 280 C CG . ARG A 1 39 ? 14.055 -1.192 3.632 1.00 5.21 ? 39 ARG A CG 1 ATOM 281 C CD . ARG A 1 39 ? 15.078 -0.055 3.477 1.00 5.26 ? 39 ARG A CD 1 ATOM 282 N NE . ARG A 1 39 ? 14.779 1.044 4.359 1.00 5.08 ? 39 ARG A NE 1 ATOM 283 C CZ . ARG A 1 39 ? 13.893 1.996 4.169 1.00 5.02 ? 39 ARG A CZ 1 ATOM 284 N NH1 . ARG A 1 39 ? 13.763 2.970 5.090 1.00 5.35 ? 39 ARG A NH1 1 ATOM 285 N NH2 . ARG A 1 39 ? 13.202 2.116 3.021 1.00 5.40 ? 39 ARG A NH2 1 ATOM 286 N N . TRP A 1 40 ? 13.290 -4.302 0.754 1.00 6.88 ? 40 TRP A N 1 ATOM 287 C CA . TRP A 1 40 ? 13.719 -5.026 -0.458 1.00 7.25 ? 40 TRP A CA 1 ATOM 288 C C . TRP A 1 40 ? 15.186 -4.684 -0.751 1.00 7.36 ? 40 TRP A C 1 ATOM 289 O O . TRP A 1 40 ? 15.554 -3.505 -0.784 1.00 6.26 ? 40 TRP A O 1 ATOM 290 C CB . TRP A 1 40 ? 12.854 -4.606 -1.685 1.00 8.13 ? 40 TRP A CB 1 ATOM 291 C CG . TRP A 1 40 ? 13.107 -5.244 -2.982 1.00 8.84 ? 40 TRP A CG 1 ATOM 292 C CD1 . TRP A 1 40 ? 13.635 -6.467 -3.232 1.00 9.70 ? 40 TRP A CD1 1 ATOM 293 C CD2 . TRP A 1 40 ? 12.760 -4.677 -4.254 1.00 9.44 ? 40 TRP A CD2 1 ATOM 294 N NE1 . TRP A 1 40 ? 13.637 -6.710 -4.619 1.00 10.16 ? 40 TRP A NE1 1 ATOM 295 C CE2 . TRP A 1 40 ? 13.143 -5.596 -5.250 1.00 9.82 ? 40 TRP A CE2 1 ATOM 296 C CE3 . TRP A 1 40 ? 12.199 -3.452 -4.633 1.00 9.60 ? 40 TRP A CE3 1 ATOM 297 C CZ2 . TRP A 1 40 ? 12.944 -5.354 -6.643 1.00 11.16 ? 40 TRP A CZ2 1 ATOM 298 C CZ3 . TRP A 1 40 ? 11.977 -3.208 -6.009 1.00 10.73 ? 40 TRP A CZ3 1 ATOM 299 C CH2 . TRP A 1 40 ? 12.371 -4.151 -6.994 1.00 11.06 ? 40 TRP A CH2 1 ATOM 300 N N A VAL A 1 41 ? 16.009 -5.721 -0.898 0.48 7.49 ? 41 VAL A N 1 ATOM 301 N N B VAL A 1 41 ? 16.004 -5.719 -0.956 0.52 7.41 ? 41 VAL A N 1 ATOM 302 C CA A VAL A 1 41 ? 17.382 -5.561 -1.364 0.48 7.95 ? 41 VAL A CA 1 ATOM 303 C CA B VAL A 1 41 ? 17.416 -5.570 -1.363 0.52 7.85 ? 41 VAL A CA 1 ATOM 304 C C A VAL A 1 41 ? 17.501 -6.246 -2.734 0.48 8.00 ? 41 VAL A C 1 ATOM 305 C C B VAL A 1 41 ? 17.580 -6.267 -2.717 0.52 7.93 ? 41 VAL A C 1 ATOM 306 O O A VAL A 1 41 ? 17.143 -7.416 -2.882 0.48 7.87 ? 41 VAL A O 1 ATOM 307 O O B VAL A 1 41 ? 17.363 -7.473 -2.827 0.52 7.74 ? 41 VAL A O 1 ATOM 308 C CB A VAL A 1 41 ? 18.441 -6.109 -0.397 0.48 8.14 ? 41 VAL A CB 1 ATOM 309 C CB B VAL A 1 41 ? 18.435 -6.114 -0.333 0.52 7.99 ? 41 VAL A CB 1 ATOM 310 C CG1 A VAL A 1 41 ? 19.655 -5.200 -0.462 0.48 8.27 ? 41 VAL A CG1 1 ATOM 311 C CG1 B VAL A 1 41 ? 18.071 -7.493 0.144 0.52 8.03 ? 41 VAL A CG1 1 ATOM 312 C CG2 A VAL A 1 41 ? 17.932 -6.148 1.042 0.48 8.31 ? 41 VAL A CG2 1 ATOM 313 C CG2 B VAL A 1 41 ? 19.863 -6.111 -0.883 0.52 8.16 ? 41 VAL A CG2 1 ATOM 314 N N . HIS A 1 42 ? 17.964 -5.480 -3.722 1.00 7.67 ? 42 HIS A N 1 ATOM 315 C CA . HIS A 1 42 ? 18.044 -5.930 -5.090 1.00 8.14 ? 42 HIS A CA 1 ATOM 316 C C . HIS A 1 42 ? 19.302 -5.388 -5.751 1.00 8.07 ? 42 HIS A C 1 ATOM 317 O O . HIS A 1 42 ? 19.965 -4.441 -5.284 1.00 7.99 ? 42 HIS A O 1 ATOM 318 C CB . HIS A 1 42 ? 16.786 -5.513 -5.857 1.00 7.50 ? 42 HIS A CB 1 ATOM 319 C CG . HIS A 1 42 ? 16.596 -4.042 -5.960 1.00 7.74 ? 42 HIS A CG 1 ATOM 320 N ND1 . HIS A 1 42 ? 17.289 -3.256 -6.845 1.00 8.09 ? 42 HIS A ND1 1 ATOM 321 C CD2 . HIS A 1 42 ? 15.756 -3.216 -5.296 1.00 8.15 ? 42 HIS A CD2 1 ATOM 322 C CE1 . HIS A 1 42 ? 16.897 -1.999 -6.712 1.00 8.81 ? 42 HIS A CE1 1 ATOM 323 N NE2 . HIS A 1 42 ? 15.987 -1.946 -5.752 1.00 8.82 ? 42 HIS A NE2 1 ATOM 324 N N . GLY A 1 43 ? 19.683 -6.013 -6.839 1.00 9.01 ? 43 GLY A N 1 ATOM 325 C CA . GLY A 1 43 ? 20.848 -5.556 -7.550 1.00 9.48 ? 43 GLY A CA 1 ATOM 326 C C . GLY A 1 43 ? 20.746 -4.118 -7.984 1.00 10.83 ? 43 GLY A C 1 ATOM 327 O O . GLY A 1 43 ? 19.644 -3.588 -8.186 1.00 12.03 ? 43 GLY A O 1 ATOM 328 N N . VAL A 1 44 ? 21.878 -3.471 -8.081 1.00 11.70 ? 44 VAL A N 1 ATOM 329 C CA . VAL A 1 44 ? 21.937 -2.120 -8.661 1.00 14.60 ? 44 VAL A CA 1 ATOM 330 C C . VAL A 1 44 ? 21.360 -2.134 -10.102 1.00 16.37 ? 44 VAL A C 1 ATOM 331 O O . VAL A 1 44 ? 21.720 -2.981 -10.911 1.00 17.93 ? 44 VAL A O 1 ATOM 332 C CB . VAL A 1 44 ? 23.387 -1.643 -8.618 1.00 16.01 ? 44 VAL A CB 1 ATOM 333 C CG1 . VAL A 1 44 ? 23.605 -0.408 -9.524 1.00 18.69 ? 44 VAL A CG1 1 ATOM 334 C CG2 . VAL A 1 44 ? 23.725 -1.309 -7.167 1.00 16.36 ? 44 VAL A CG2 1 ATOM 335 N N . ASN A 1 45 ? 20.368 -1.292 -10.357 1.00 20.07 ? 45 ASN A N 1 ATOM 336 C CA . ASN A 1 45 ? 19.761 -1.180 -11.685 1.00 23.62 ? 45 ASN A CA 1 ATOM 337 C C . ASN A 1 45 ? 19.108 -2.505 -12.222 1.00 22.30 ? 45 ASN A C 1 ATOM 338 O O . ASN A 1 45 ? 19.005 -2.730 -13.435 1.00 22.80 ? 45 ASN A O 1 ATOM 339 C CB . ASN A 1 45 ? 20.762 -0.466 -12.654 1.00 27.15 ? 45 ASN A CB 1 ATOM 340 C CG . ASN A 1 45 ? 20.221 -0.342 -14.076 1.00 33.71 ? 45 ASN A CG 1 ATOM 341 O OD1 . ASN A 1 45 ? 20.909 -0.750 -15.034 1.00 40.65 ? 45 ASN A OD1 1 ATOM 342 N ND2 . ASN A 1 45 ? 18.987 0.198 -14.242 1.00 33.79 ? 45 ASN A ND2 1 ATOM 343 N N A THR A 1 46 ? 18.675 -3.364 -11.300 0.52 20.41 ? 46 THR A N 1 ATOM 344 N N B THR A 1 46 ? 18.679 -3.374 -11.307 0.48 19.62 ? 46 THR A N 1 ATOM 345 C CA A THR A 1 46 ? 17.909 -4.566 -11.631 0.52 18.25 ? 46 THR A CA 1 ATOM 346 C CA B THR A 1 46 ? 17.865 -4.539 -11.650 0.48 17.11 ? 46 THR A CA 1 ATOM 347 C C A THR A 1 46 ? 16.909 -4.851 -10.546 0.52 16.22 ? 46 THR A C 1 ATOM 348 C C B THR A 1 46 ? 16.878 -4.798 -10.561 0.48 15.68 ? 46 THR A C 1 ATOM 349 O O A THR A 1 46 ? 17.111 -4.451 -9.399 0.52 15.75 ? 46 THR A O 1 ATOM 350 O O B THR A 1 46 ? 17.053 -4.325 -9.434 0.48 15.33 ? 46 THR A O 1 ATOM 351 C CB A THR A 1 46 ? 18.772 -5.830 -11.871 0.52 19.36 ? 46 THR A CB 1 ATOM 352 C CB B THR A 1 46 ? 18.649 -5.847 -11.867 0.48 17.22 ? 46 THR A CB 1 ATOM 353 O OG1 A THR A 1 46 ? 19.559 -6.152 -10.705 0.52 18.93 ? 46 THR A OG1 1 ATOM 354 O OG1 B THR A 1 46 ? 17.734 -6.886 -12.253 0.48 15.34 ? 46 THR A OG1 1 ATOM 355 C CG2 A THR A 1 46 ? 19.669 -5.639 -13.102 0.52 19.16 ? 46 THR A CG2 1 ATOM 356 C CG2 B THR A 1 46 ? 19.367 -6.279 -10.592 0.48 17.00 ? 46 THR A CG2 1 ATOM 357 N N . SER A 1 47 ? 15.809 -5.514 -10.917 1.00 14.36 ? 47 SER A N 1 ATOM 358 C CA . SER A 1 47 ? 14.838 -5.945 -9.955 1.00 13.80 ? 47 SER A CA 1 ATOM 359 C C . SER A 1 47 ? 15.226 -7.335 -9.330 1.00 12.69 ? 47 SER A C 1 ATOM 360 O O . SER A 1 47 ? 14.519 -7.857 -8.499 1.00 12.42 ? 47 SER A O 1 ATOM 361 C CB . SER A 1 47 ? 13.437 -5.956 -10.568 1.00 15.98 ? 47 SER A CB 1 ATOM 362 O OG . SER A 1 47 ? 13.293 -7.011 -11.532 1.00 16.72 ? 47 SER A OG 1 ATOM 363 N N . THR A 1 48 ? 16.351 -7.900 -9.703 1.00 11.28 ? 48 THR A N 1 ATOM 364 C CA . THR A 1 48 ? 16.760 -9.188 -9.109 1.00 11.54 ? 48 THR A CA 1 ATOM 365 C C . THR A 1 48 ? 17.082 -9.034 -7.613 1.00 10.24 ? 48 THR A C 1 ATOM 366 O O . THR A 1 48 ? 17.909 -8.191 -7.256 1.00 9.19 ? 48 THR A O 1 ATOM 367 C CB . THR A 1 48 ? 17.966 -9.698 -9.884 1.00 12.53 ? 48 THR A CB 1 ATOM 368 O OG1 . THR A 1 48 ? 17.525 -9.895 -11.231 1.00 14.48 ? 48 THR A OG1 1 ATOM 369 C CG2 . THR A 1 48 ? 18.498 -11.054 -9.308 1.00 13.16 ? 48 THR A CG2 1 ATOM 370 N N . ASN A 1 49 ? 16.522 -9.903 -6.782 1.00 9.97 ? 49 ASN A N 1 ATOM 371 C CA . ASN A 1 49 ? 16.741 -9.837 -5.336 1.00 9.78 ? 49 ASN A CA 1 ATOM 372 C C . ASN A 1 49 ? 18.190 -10.253 -5.015 1.00 9.52 ? 49 ASN A C 1 ATOM 373 O O . ASN A 1 49 ? 18.773 -11.160 -5.615 1.00 9.41 ? 49 ASN A O 1 ATOM 374 C CB . ASN A 1 49 ? 15.800 -10.722 -4.524 1.00 10.58 ? 49 ASN A CB 1 ATOM 375 C CG . ASN A 1 49 ? 14.444 -10.126 -4.361 1.00 11.49 ? 49 ASN A CG 1 ATOM 376 O OD1 . ASN A 1 49 ? 13.926 -9.518 -5.296 1.00 12.04 ? 49 ASN A OD1 1 ATOM 377 N ND2 . ASN A 1 49 ? 13.832 -10.325 -3.190 1.00 11.34 ? 49 ASN A ND2 1 ATOM 378 N N . CYS A 1 50 ? 18.784 -9.530 -4.091 1.00 9.21 ? 50 CYS A N 1 ATOM 379 C CA . CYS A 1 50 ? 20.049 -9.925 -3.460 1.00 9.07 ? 50 CYS A CA 1 ATOM 380 C C . CYS A 1 50 ? 19.819 -10.856 -2.313 1.00 9.07 ? 50 CYS A C 1 ATOM 381 O O . CYS A 1 50 ? 20.769 -11.578 -1.874 1.00 8.29 ? 50 CYS A O 1 ATOM 382 C CB . CYS A 1 50 ? 20.815 -8.710 -2.909 1.00 9.25 ? 50 CYS A CB 1 ATOM 383 S SG . CYS A 1 50 ? 21.533 -7.690 -4.224 1.00 10.39 ? 50 CYS A SG 1 ATOM 384 N N . TYR A 1 51 ? 18.604 -10.804 -1.777 1.00 9.25 ? 51 TYR A N 1 ATOM 385 C CA . TYR A 1 51 ? 18.243 -11.613 -0.625 1.00 9.12 ? 51 TYR A CA 1 ATOM 386 C C . TYR A 1 51 ? 16.773 -11.992 -0.809 1.00 9.53 ? 51 TYR A C 1 ATOM 387 O O . TYR A 1 51 ? 15.963 -11.140 -1.155 1.00 9.20 ? 51 TYR A O 1 ATOM 388 C CB . TYR A 1 51 ? 18.462 -10.828 0.660 1.00 8.91 ? 51 TYR A CB 1 ATOM 389 C CG . TYR A 1 51 ? 18.166 -11.583 1.961 1.00 8.45 ? 51 TYR A CG 1 ATOM 390 C CD1 . TYR A 1 51 ? 16.865 -11.680 2.473 1.00 8.16 ? 51 TYR A CD1 1 ATOM 391 C CD2 . TYR A 1 51 ? 19.214 -12.205 2.693 1.00 8.83 ? 51 TYR A CD2 1 ATOM 392 C CE1 . TYR A 1 51 ? 16.649 -12.291 3.723 1.00 8.58 ? 51 TYR A CE1 1 ATOM 393 C CE2 . TYR A 1 51 ? 18.995 -12.912 3.868 1.00 8.34 ? 51 TYR A CE2 1 ATOM 394 C CZ . TYR A 1 51 ? 17.714 -12.943 4.399 1.00 8.25 ? 51 TYR A CZ 1 ATOM 395 O OH . TYR A 1 51 ? 17.481 -13.596 5.560 1.00 7.96 ? 51 TYR A OH 1 ATOM 396 N N . THR A 1 52 ? 16.452 -13.273 -0.655 1.00 10.73 ? 52 THR A N 1 ATOM 397 C CA . THR A 1 52 ? 15.054 -13.758 -0.825 1.00 12.39 ? 52 THR A CA 1 ATOM 398 C C . THR A 1 52 ? 14.825 -14.864 0.184 1.00 11.83 ? 52 THR A C 1 ATOM 399 O O . THR A 1 52 ? 15.667 -15.739 0.336 1.00 11.48 ? 52 THR A O 1 ATOM 400 C CB . THR A 1 52 ? 14.741 -14.368 -2.214 1.00 14.84 ? 52 THR A CB 1 ATOM 401 O OG1 . THR A 1 52 ? 15.282 -13.574 -3.276 1.00 17.10 ? 52 THR A OG1 1 ATOM 402 C CG2 . THR A 1 52 ? 13.246 -14.452 -2.379 1.00 15.76 ? 52 THR A CG2 1 ATOM 403 N N . GLY A 1 53 ? 13.692 -14.827 0.861 1.00 11.60 ? 53 GLY A N 1 ATOM 404 C CA . GLY A 1 53 ? 13.448 -15.784 1.927 1.00 12.33 ? 53 GLY A CA 1 ATOM 405 C C . GLY A 1 53 ? 14.406 -15.567 3.071 1.00 11.73 ? 53 GLY A C 1 ATOM 406 O O . GLY A 1 53 ? 14.330 -14.532 3.758 1.00 12.59 ? 53 GLY A O 1 ATOM 407 N N . ASN A 1 54 ? 15.287 -16.539 3.349 1.00 11.33 ? 54 ASN A N 1 ATOM 408 C CA . ASN A 1 54 ? 16.280 -16.374 4.414 1.00 11.06 ? 54 ASN A CA 1 ATOM 409 C C . ASN A 1 54 ? 17.684 -16.646 3.929 1.00 9.94 ? 54 ASN A C 1 ATOM 410 O O . ASN A 1 54 ? 18.587 -16.881 4.718 1.00 10.17 ? 54 ASN A O 1 ATOM 411 C CB . ASN A 1 54 ? 15.953 -17.207 5.661 1.00 12.64 ? 54 ASN A CB 1 ATOM 412 C CG . ASN A 1 54 ? 15.697 -18.630 5.328 1.00 14.00 ? 54 ASN A CG 1 ATOM 413 O OD1 . ASN A 1 54 ? 16.081 -19.087 4.258 1.00 12.70 ? 54 ASN A OD1 1 ATOM 414 N ND2 . ASN A 1 54 ? 14.914 -19.305 6.165 1.00 18.63 ? 54 ASN A ND2 1 ATOM 415 N N . THR A 1 55 ? 17.913 -16.480 2.616 1.00 9.68 ? 55 THR A N 1 ATOM 416 C CA . THR A 1 55 ? 19.241 -16.683 2.071 1.00 9.07 ? 55 THR A CA 1 ATOM 417 C C . THR A 1 55 ? 19.586 -15.613 1.079 1.00 8.55 ? 55 THR A C 1 ATOM 418 O O . THR A 1 55 ? 18.725 -14.983 0.488 1.00 7.82 ? 55 THR A O 1 ATOM 419 C CB . THR A 1 55 ? 19.464 -18.113 1.439 1.00 9.64 ? 55 THR A CB 1 ATOM 420 O OG1 . THR A 1 55 ? 18.464 -18.376 0.472 1.00 9.32 ? 55 THR A OG1 1 ATOM 421 C CG2 . THR A 1 55 ? 19.445 -19.158 2.524 1.00 9.96 ? 55 THR A CG2 1 ATOM 422 N N . TRP A 1 56 ? 20.874 -15.414 0.931 1.00 8.21 ? 56 TRP A N 1 ATOM 423 C CA . TRP A 1 56 ? 21.435 -14.533 -0.090 1.00 8.66 ? 56 TRP A CA 1 ATOM 424 C C . TRP A 1 56 ? 21.603 -15.113 -1.498 1.00 8.58 ? 56 TRP A C 1 ATOM 425 O O . TRP A 1 56 ? 21.771 -16.289 -1.696 1.00 8.61 ? 56 TRP A O 1 ATOM 426 C CB . TRP A 1 56 ? 22.830 -14.085 0.339 1.00 9.12 ? 56 TRP A CB 1 ATOM 427 C CG . TRP A 1 56 ? 22.868 -13.319 1.621 1.00 9.73 ? 56 TRP A CG 1 ATOM 428 C CD1 . TRP A 1 56 ? 23.015 -13.801 2.867 1.00 10.36 ? 56 TRP A CD1 1 ATOM 429 C CD2 . TRP A 1 56 ? 22.803 -11.855 1.752 1.00 9.68 ? 56 TRP A CD2 1 ATOM 430 N NE1 . TRP A 1 56 ? 23.063 -12.739 3.804 1.00 10.76 ? 56 TRP A NE1 1 ATOM 431 C CE2 . TRP A 1 56 ? 22.927 -11.548 3.138 1.00 9.71 ? 56 TRP A CE2 1 ATOM 432 C CE3 . TRP A 1 56 ? 22.643 -10.813 0.846 1.00 9.43 ? 56 TRP A CE3 1 ATOM 433 C CZ2 . TRP A 1 56 ? 22.901 -10.247 3.609 1.00 9.70 ? 56 TRP A CZ2 1 ATOM 434 C CZ3 . TRP A 1 56 ? 22.583 -9.499 1.346 1.00 9.78 ? 56 TRP A CZ3 1 ATOM 435 C CH2 . TRP A 1 56 ? 22.720 -9.250 2.700 1.00 9.55 ? 56 TRP A CH2 1 ATOM 436 N N . ASN A 1 57 ? 21.567 -14.226 -2.469 1.00 8.50 ? 57 ASN A N 1 ATOM 437 C CA . ASN A 1 57 ? 21.769 -14.525 -3.862 1.00 8.87 ? 57 ASN A CA 1 ATOM 438 C C . ASN A 1 57 ? 23.265 -14.497 -4.138 1.00 9.54 ? 57 ASN A C 1 ATOM 439 O O . ASN A 1 57 ? 23.890 -13.416 -4.180 1.00 9.30 ? 57 ASN A O 1 ATOM 440 C CB . ASN A 1 57 ? 21.038 -13.518 -4.730 1.00 9.60 ? 57 ASN A CB 1 ATOM 441 C CG . ASN A 1 57 ? 21.339 -13.666 -6.167 1.00 10.59 ? 57 ASN A CG 1 ATOM 442 O OD1 . ASN A 1 57 ? 22.012 -14.642 -6.548 1.00 13.37 ? 57 ASN A OD1 1 ATOM 443 N ND2 . ASN A 1 57 ? 20.786 -12.772 -7.017 1.00 10.22 ? 57 ASN A ND2 1 ATOM 444 N N . SER A 1 58 ? 23.840 -15.693 -4.279 1.00 10.14 ? 58 SER A N 1 ATOM 445 C CA . SER A 1 58 ? 25.314 -15.790 -4.363 1.00 10.59 ? 58 SER A CA 1 ATOM 446 C C . SER A 1 58 ? 25.835 -15.306 -5.694 1.00 10.96 ? 58 SER A C 1 ATOM 447 O O . SER A 1 58 ? 27.039 -15.039 -5.842 1.00 11.43 ? 58 SER A O 1 ATOM 448 C CB . SER A 1 58 ? 25.718 -17.243 -4.072 1.00 11.62 ? 58 SER A CB 1 ATOM 449 O OG . SER A 1 58 ? 25.272 -18.060 -5.177 1.00 12.72 ? 58 SER A OG 1 ATOM 450 N N . ALA A 1 59 ? 24.962 -15.159 -6.676 1.00 10.86 ? 59 ALA A N 1 ATOM 451 C CA . ALA A 1 59 ? 25.371 -14.566 -7.955 1.00 11.64 ? 59 ALA A CA 1 ATOM 452 C C . ALA A 1 59 ? 25.841 -13.111 -7.802 1.00 12.22 ? 59 ALA A C 1 ATOM 453 O O . ALA A 1 59 ? 26.863 -12.695 -8.385 1.00 14.18 ? 59 ALA A O 1 ATOM 454 C CB . ALA A 1 59 ? 24.212 -14.678 -8.952 1.00 11.48 ? 59 ALA A CB 1 ATOM 455 N N . ILE A 1 60 ? 25.107 -12.342 -7.025 1.00 12.13 ? 60 ILE A N 1 ATOM 456 C CA . ILE A 1 60 ? 25.445 -10.950 -6.762 1.00 12.82 ? 60 ILE A CA 1 ATOM 457 C C . ILE A 1 60 ? 26.318 -10.805 -5.523 1.00 14.23 ? 60 ILE A C 1 ATOM 458 O O . ILE A 1 60 ? 27.294 -10.023 -5.501 1.00 17.97 ? 60 ILE A O 1 ATOM 459 C CB . ILE A 1 60 ? 24.133 -10.107 -6.629 1.00 13.26 ? 60 ILE A CB 1 ATOM 460 C CG1 . ILE A 1 60 ? 23.261 -10.115 -7.927 1.00 13.60 ? 60 ILE A CG1 1 ATOM 461 C CG2 . ILE A 1 60 ? 24.449 -8.666 -6.309 1.00 12.65 ? 60 ILE A CG2 1 ATOM 462 C CD1 . ILE A 1 60 ? 21.891 -9.493 -7.745 1.00 15.16 ? 60 ILE A CD1 1 ATOM 463 N N . CYS A 1 61 ? 26.012 -11.600 -4.496 1.00 12.97 ? 61 CYS A N 1 ATOM 464 C CA . CYS A 1 61 ? 26.598 -11.488 -3.170 1.00 12.80 ? 61 CYS A CA 1 ATOM 465 C C . CYS A 1 61 ? 27.536 -12.666 -2.931 1.00 13.18 ? 61 CYS A C 1 ATOM 466 O O . CYS A 1 61 ? 27.304 -13.497 -2.058 1.00 12.92 ? 61 CYS A O 1 ATOM 467 C CB . CYS A 1 61 ? 25.473 -11.413 -2.107 1.00 13.14 ? 61 CYS A CB 1 ATOM 468 S SG . CYS A 1 61 ? 24.545 -9.835 -2.241 1.00 14.55 ? 61 CYS A SG 1 ATOM 469 N N . ASP A 1 62 ? 28.567 -12.689 -3.771 1.00 13.72 ? 62 ASP A N 1 ATOM 470 C CA . ASP A 1 62 ? 29.575 -13.707 -3.774 1.00 15.11 ? 62 ASP A CA 1 ATOM 471 C C . ASP A 1 62 ? 30.624 -13.397 -2.687 1.00 15.32 ? 62 ASP A C 1 ATOM 472 O O . ASP A 1 62 ? 31.350 -14.318 -2.303 1.00 15.99 ? 62 ASP A O 1 ATOM 473 C CB . ASP A 1 62 ? 30.237 -13.819 -5.144 1.00 17.97 ? 62 ASP A CB 1 ATOM 474 C CG . ASP A 1 62 ? 30.945 -12.557 -5.582 1.00 19.70 ? 62 ASP A CG 1 ATOM 475 O OD1 . ASP A 1 62 ? 30.379 -11.440 -5.639 1.00 23.34 ? 62 ASP A OD1 1 ATOM 476 O OD2 . ASP A 1 62 ? 32.123 -12.681 -5.879 1.00 25.57 ? 62 ASP A OD2 1 ATOM 477 N N . THR A 1 63 ? 30.664 -12.144 -2.190 1.00 12.37 ? 63 THR A N 1 ATOM 478 C CA . THR A 1 63 ? 31.508 -11.729 -1.094 1.00 12.23 ? 63 THR A CA 1 ATOM 479 C C . THR A 1 63 ? 30.793 -10.631 -0.271 1.00 12.11 ? 63 THR A C 1 ATOM 480 O O . THR A 1 63 ? 29.902 -9.970 -0.800 1.00 11.04 ? 63 THR A O 1 ATOM 481 C CB . THR A 1 63 ? 32.883 -11.147 -1.583 1.00 12.24 ? 63 THR A CB 1 ATOM 482 O OG1 . THR A 1 63 ? 32.722 -9.851 -2.174 1.00 10.71 ? 63 THR A OG1 1 ATOM 483 C CG2 . THR A 1 63 ? 33.587 -12.048 -2.597 1.00 12.57 ? 63 THR A CG2 1 ATOM 484 N N . ASP A 1 64 ? 31.215 -10.402 0.964 1.00 11.94 ? 64 ASP A N 1 ATOM 485 C CA . ASP A 1 64 ? 30.603 -9.396 1.851 1.00 12.13 ? 64 ASP A CA 1 ATOM 486 C C . ASP A 1 64 ? 30.733 -8.010 1.217 1.00 12.02 ? 64 ASP A C 1 ATOM 487 O O . ASP A 1 64 ? 29.788 -7.224 1.222 1.00 10.47 ? 64 ASP A O 1 ATOM 488 C CB . ASP A 1 64 ? 31.272 -9.357 3.232 1.00 12.67 ? 64 ASP A CB 1 ATOM 489 C CG . ASP A 1 64 ? 30.977 -10.592 4.107 1.00 16.30 ? 64 ASP A CG 1 ATOM 490 O OD1 . ASP A 1 64 ? 30.243 -11.525 3.703 1.00 16.96 ? 64 ASP A OD1 1 ATOM 491 O OD2 . ASP A 1 64 ? 31.525 -10.642 5.235 1.00 21.77 ? 64 ASP A OD2 1 ATOM 492 N N . ALA A 1 65 ? 31.908 -7.733 0.631 1.00 11.19 ? 65 ALA A N 1 ATOM 493 C CA . ALA A 1 65 ? 32.151 -6.414 -0.003 1.00 11.35 ? 65 ALA A CA 1 ATOM 494 C C . ALA A 1 65 ? 31.407 -6.188 -1.288 1.00 11.04 ? 65 ALA A C 1 ATOM 495 O O . ALA A 1 65 ? 30.804 -5.096 -1.454 1.00 12.65 ? 65 ALA A O 1 ATOM 496 C CB . ALA A 1 65 ? 33.646 -6.225 -0.250 1.00 11.55 ? 65 ALA A CB 1 ATOM 497 N N A SER A 1 66 ? 31.440 -7.156 -2.206 0.29 10.61 ? 66 SER A N 1 ATOM 498 N N B SER A 1 66 ? 31.446 -7.172 -2.208 0.71 10.35 ? 66 SER A N 1 ATOM 499 C CA A SER A 1 66 ? 30.804 -6.987 -3.518 0.29 10.50 ? 66 SER A CA 1 ATOM 500 C CA B SER A 1 66 ? 30.790 -7.011 -3.519 0.71 10.70 ? 66 SER A CA 1 ATOM 501 C C A SER A 1 66 ? 29.277 -6.996 -3.437 0.29 10.29 ? 66 SER A C 1 ATOM 502 C C B SER A 1 66 ? 29.298 -6.812 -3.317 0.71 10.26 ? 66 SER A C 1 ATOM 503 O O A SER A 1 66 ? 28.599 -6.554 -4.356 0.29 10.34 ? 66 SER A O 1 ATOM 504 O O B SER A 1 66 ? 28.688 -5.945 -3.953 0.71 9.96 ? 66 SER A O 1 ATOM 505 C CB A SER A 1 66 ? 31.271 -8.063 -4.492 0.29 10.70 ? 66 SER A CB 1 ATOM 506 C CB B SER A 1 66 ? 31.053 -8.165 -4.502 0.71 11.48 ? 66 SER A CB 1 ATOM 507 O OG A SER A 1 66 ? 32.573 -7.771 -4.985 0.29 10.65 ? 66 SER A OG 1 ATOM 508 O OG B SER A 1 66 ? 30.796 -9.454 -3.988 0.71 12.58 ? 66 SER A OG 1 ATOM 509 N N . CYS A 1 67 ? 28.752 -7.560 -2.355 1.00 9.98 ? 67 CYS A N 1 ATOM 510 C CA . CYS A 1 67 ? 27.357 -7.491 -2.052 1.00 9.84 ? 67 CYS A CA 1 ATOM 511 C C . CYS A 1 67 ? 26.960 -6.073 -1.696 1.00 9.94 ? 67 CYS A C 1 ATOM 512 O O . CYS A 1 67 ? 25.956 -5.560 -2.189 1.00 12.10 ? 67 CYS A O 1 ATOM 513 C CB . CYS A 1 67 ? 27.063 -8.466 -0.919 1.00 10.40 ? 67 CYS A CB 1 ATOM 514 S SG . CYS A 1 67 ? 25.291 -8.692 -0.604 1.00 11.46 ? 67 CYS A SG 1 ATOM 515 N N . ALA A 1 68 ? 27.696 -5.435 -0.815 1.00 9.45 ? 68 ALA A N 1 ATOM 516 C CA . ALA A 1 68 ? 27.369 -4.101 -0.438 1.00 10.09 ? 68 ALA A CA 1 ATOM 517 C C . ALA A 1 68 ? 27.546 -3.082 -1.564 1.00 10.62 ? 68 ALA A C 1 ATOM 518 O O . ALA A 1 68 ? 26.843 -2.093 -1.569 1.00 9.53 ? 68 ALA A O 1 ATOM 519 C CB . ALA A 1 68 ? 28.175 -3.658 0.790 1.00 10.36 ? 68 ALA A CB 1 ATOM 520 N N . GLN A 1 69 ? 28.537 -3.308 -2.452 1.00 11.34 ? 69 GLN A N 1 ATOM 521 C CA . GLN A 1 69 ? 28.732 -2.472 -3.621 1.00 12.44 ? 69 GLN A CA 1 ATOM 522 C C . GLN A 1 69 ? 27.660 -2.608 -4.654 1.00 11.44 ? 69 GLN A C 1 ATOM 523 O O . GLN A 1 69 ? 27.399 -1.657 -5.363 1.00 10.77 ? 69 GLN A O 1 ATOM 524 C CB . GLN A 1 69 ? 30.061 -2.744 -4.348 1.00 14.28 ? 69 GLN A CB 1 ATOM 525 C CG . GLN A 1 69 ? 31.240 -2.215 -3.585 1.00 19.65 ? 69 GLN A CG 1 ATOM 526 C CD . GLN A 1 69 ? 32.519 -3.008 -3.816 1.00 24.26 ? 69 GLN A CD 1 ATOM 527 O OE1 . GLN A 1 69 ? 32.547 -3.836 -4.735 1.00 28.32 ? 69 GLN A OE1 1 ATOM 528 N NE2 . GLN A 1 69 ? 33.583 -2.777 -2.967 1.00 25.92 ? 69 GLN A NE2 1 ATOM 529 N N . ASP A 1 70 ? 27.071 -3.792 -4.728 1.00 11.53 ? 70 ASP A N 1 ATOM 530 C CA . ASP A 1 70 ? 26.241 -4.211 -5.868 1.00 11.35 ? 70 ASP A CA 1 ATOM 531 C C . ASP A 1 70 ? 24.761 -4.416 -5.548 1.00 11.26 ? 70 ASP A C 1 ATOM 532 O O . ASP A 1 70 ? 24.013 -4.790 -6.428 1.00 10.60 ? 70 ASP A O 1 ATOM 533 C CB . ASP A 1 70 ? 26.828 -5.470 -6.542 1.00 12.75 ? 70 ASP A CB 1 ATOM 534 C CG . ASP A 1 70 ? 28.260 -5.221 -7.172 1.00 13.51 ? 70 ASP A CG 1 ATOM 535 O OD1 . ASP A 1 70 ? 28.602 -4.038 -7.384 1.00 16.45 ? 70 ASP A OD1 1 ATOM 536 O OD2 . ASP A 1 70 ? 29.033 -6.200 -7.418 1.00 14.31 ? 70 ASP A OD2 1 ATOM 537 N N . CYS A 1 71 ? 24.367 -4.230 -4.282 1.00 10.11 ? 71 CYS A N 1 ATOM 538 C CA . CYS A 1 71 ? 22.994 -4.409 -3.831 1.00 9.74 ? 71 CYS A CA 1 ATOM 539 C C . CYS A 1 71 ? 22.497 -3.126 -3.278 1.00 8.95 ? 71 CYS A C 1 ATOM 540 O O . CYS A 1 71 ? 23.252 -2.415 -2.638 1.00 8.53 ? 71 CYS A O 1 ATOM 541 C CB . CYS A 1 71 ? 22.964 -5.405 -2.718 1.00 10.11 ? 71 CYS A CB 1 ATOM 542 S SG . CYS A 1 71 ? 23.316 -7.030 -3.398 1.00 10.82 ? 71 CYS A SG 1 ATOM 543 N N . ALA A 1 72 ? 21.235 -2.828 -3.570 1.00 8.73 ? 72 ALA A N 1 ATOM 544 C CA . ALA A 1 72 ? 20.620 -1.591 -3.215 1.00 8.31 ? 72 ALA A CA 1 ATOM 545 C C . ALA A 1 72 ? 19.388 -1.858 -2.343 1.00 8.26 ? 72 ALA A C 1 ATOM 546 O O . ALA A 1 72 ? 18.662 -2.825 -2.566 1.00 8.47 ? 72 ALA A O 1 ATOM 547 C CB . ALA A 1 72 ? 20.229 -0.806 -4.471 1.00 8.44 ? 72 ALA A CB 1 ATOM 548 N N . LEU A 1 73 ? 19.153 -0.970 -1.392 1.00 8.12 ? 73 LEU A N 1 ATOM 549 C CA . LEU A 1 73 ? 17.917 -0.975 -0.583 1.00 8.97 ? 73 LEU A CA 1 ATOM 550 C C . LEU A 1 73 ? 16.914 -0.049 -1.223 1.00 8.52 ? 73 LEU A C 1 ATOM 551 O O . LEU A 1 73 ? 17.285 1.067 -1.670 1.00 8.33 ? 73 LEU A O 1 ATOM 552 C CB . LEU A 1 73 ? 18.195 -0.465 0.824 1.00 9.37 ? 73 LEU A CB 1 ATOM 553 C CG . LEU A 1 73 ? 19.119 -1.405 1.630 1.00 10.44 ? 73 LEU A CG 1 ATOM 554 C CD1 . LEU A 1 73 ? 19.901 -0.719 2.735 1.00 10.81 ? 73 LEU A CD1 1 ATOM 555 C CD2 . LEU A 1 73 ? 18.314 -2.546 2.225 1.00 11.14 ? 73 LEU A CD2 1 ATOM 556 N N . ASP A 1 74 ? 15.663 -0.456 -1.202 1.00 8.04 ? 74 ASP A N 1 ATOM 557 C CA . ASP A 1 74 ? 14.649 0.420 -1.848 1.00 8.43 ? 74 ASP A CA 1 ATOM 558 C C . ASP A 1 74 ? 13.651 0.999 -0.865 1.00 8.54 ? 74 ASP A C 1 ATOM 559 O O . ASP A 1 74 ? 13.659 0.661 0.335 1.00 7.16 ? 74 ASP A O 1 ATOM 560 C CB . ASP A 1 74 ? 13.990 -0.285 -3.061 1.00 9.14 ? 74 ASP A CB 1 ATOM 561 C CG . ASP A 1 74 ? 13.938 0.609 -4.307 1.00 9.75 ? 74 ASP A CG 1 ATOM 562 O OD1 . ASP A 1 74 ? 13.336 1.718 -4.226 1.00 11.70 ? 74 ASP A OD1 1 ATOM 563 O OD2 . ASP A 1 74 ? 14.516 0.283 -5.394 1.00 9.74 ? 74 ASP A OD2 1 ATOM 564 N N . GLY A 1 75 ? 12.802 1.900 -1.372 1.00 8.99 ? 75 GLY A N 1 ATOM 565 C CA . GLY A 1 75 ? 11.843 2.619 -0.583 1.00 9.74 ? 75 GLY A CA 1 ATOM 566 C C . GLY A 1 75 ? 10.716 1.753 -0.013 1.00 10.11 ? 75 GLY A C 1 ATOM 567 O O . GLY A 1 75 ? 10.385 0.679 -0.519 1.00 11.39 ? 75 GLY A O 1 ATOM 568 N N . ALA A 1 76 ? 10.098 2.236 1.042 1.00 9.73 ? 76 ALA A N 1 ATOM 569 C CA . ALA A 1 76 ? 9.100 1.435 1.754 1.00 9.55 ? 76 ALA A CA 1 ATOM 570 C C . ALA A 1 76 ? 7.708 2.054 1.621 1.00 10.20 ? 76 ALA A C 1 ATOM 571 O O . ALA A 1 76 ? 7.564 3.308 1.674 1.00 10.75 ? 76 ALA A O 1 ATOM 572 C CB . ALA A 1 76 ? 9.459 1.407 3.219 1.00 9.94 ? 76 ALA A CB 1 ATOM 573 N N . ASP A 1 77 ? 6.697 1.167 1.584 1.00 9.76 ? 77 ASP A N 1 ATOM 574 C CA . ASP A 1 77 ? 5.275 1.587 1.764 1.00 9.94 ? 77 ASP A CA 1 ATOM 575 C C . ASP A 1 77 ? 4.979 1.425 3.243 1.00 8.62 ? 77 ASP A C 1 ATOM 576 O O . ASP A 1 77 ? 4.590 0.355 3.681 1.00 8.51 ? 77 ASP A O 1 ATOM 577 C CB . ASP A 1 77 ? 4.355 0.719 0.942 1.00 11.69 ? 77 ASP A CB 1 ATOM 578 C CG . ASP A 1 77 ? 2.908 1.150 1.031 1.00 15.24 ? 77 ASP A CG 1 ATOM 579 O OD1 . ASP A 1 77 ? 2.579 2.087 1.840 1.00 15.81 ? 77 ASP A OD1 1 ATOM 580 O OD2 . ASP A 1 77 ? 2.116 0.536 0.244 1.00 20.58 ? 77 ASP A OD2 1 ATOM 581 N N . TYR A 1 78 ? 5.209 2.494 4.010 1.00 8.42 ? 78 TYR A N 1 ATOM 582 C CA . TYR A 1 78 ? 5.173 2.421 5.488 1.00 7.72 ? 78 TYR A CA 1 ATOM 583 C C . TYR A 1 78 ? 3.868 1.851 6.046 1.00 8.20 ? 78 TYR A C 1 ATOM 584 O O . TYR A 1 78 ? 3.867 0.892 6.833 1.00 7.65 ? 78 TYR A O 1 ATOM 585 C CB . TYR A 1 78 ? 5.498 3.837 6.053 1.00 7.37 ? 78 TYR A CB 1 ATOM 586 C CG . TYR A 1 78 ? 6.972 4.114 6.046 1.00 7.73 ? 78 TYR A CG 1 ATOM 587 C CD1 . TYR A 1 78 ? 7.600 4.589 4.902 1.00 7.67 ? 78 TYR A CD1 1 ATOM 588 C CD2 . TYR A 1 78 ? 7.765 3.856 7.190 1.00 8.10 ? 78 TYR A CD2 1 ATOM 589 C CE1 . TYR A 1 78 ? 8.963 4.762 4.874 1.00 7.88 ? 78 TYR A CE1 1 ATOM 590 C CE2 . TYR A 1 78 ? 9.114 4.138 7.197 1.00 8.17 ? 78 TYR A CE2 1 ATOM 591 C CZ . TYR A 1 78 ? 9.709 4.542 6.032 1.00 8.36 ? 78 TYR A CZ 1 ATOM 592 O OH . TYR A 1 78 ? 11.090 4.726 6.085 1.00 8.96 ? 78 TYR A OH 1 ATOM 593 N N . SER A 1 79 ? 2.756 2.418 5.586 1.00 8.41 ? 79 SER A N 1 ATOM 594 C CA . SER A 1 79 ? 1.455 1.953 6.022 1.00 10.13 ? 79 SER A CA 1 ATOM 595 C C . SER A 1 79 ? 1.047 0.620 5.423 1.00 9.97 ? 79 SER A C 1 ATOM 596 O O . SER A 1 79 ? 0.671 -0.336 6.132 1.00 10.59 ? 79 SER A O 1 ATOM 597 C CB . SER A 1 79 ? 0.390 3.018 5.701 1.00 11.10 ? 79 SER A CB 1 ATOM 598 O OG . SER A 1 79 ? -0.853 2.572 6.248 1.00 12.76 ? 79 SER A OG 1 ATOM 599 N N . GLY A 1 80 ? 1.168 0.531 4.095 1.00 9.07 ? 80 GLY A N 1 ATOM 600 C CA . GLY A 1 80 ? 0.607 -0.619 3.378 1.00 9.10 ? 80 GLY A CA 1 ATOM 601 C C . GLY A 1 80 ? 1.298 -1.959 3.620 1.00 9.19 ? 80 GLY A C 1 ATOM 602 O O . GLY A 1 80 ? 0.646 -3.023 3.693 1.00 11.07 ? 80 GLY A O 1 ATOM 603 N N . THR A 1 81 ? 2.622 -1.919 3.735 1.00 8.48 ? 81 THR A N 1 ATOM 604 C CA . THR A 1 81 ? 3.431 -3.114 3.925 1.00 8.81 ? 81 THR A CA 1 ATOM 605 C C . THR A 1 81 ? 3.780 -3.360 5.370 1.00 7.84 ? 81 THR A C 1 ATOM 606 O O . THR A 1 81 ? 3.754 -4.521 5.806 1.00 7.78 ? 81 THR A O 1 ATOM 607 C CB . THR A 1 81 ? 4.727 -3.073 3.089 1.00 9.13 ? 81 THR A CB 1 ATOM 608 O OG1 . THR A 1 81 ? 4.398 -2.867 1.739 1.00 11.31 ? 81 THR A OG1 1 ATOM 609 C CG2 . THR A 1 81 ? 5.545 -4.355 3.175 1.00 9.81 ? 81 THR A CG2 1 ATOM 610 N N . TYR A 1 82 ? 4.080 -2.282 6.123 1.00 7.26 ? 82 TYR A N 1 ATOM 611 C CA . TYR A 1 82 ? 4.650 -2.468 7.433 1.00 6.79 ? 82 TYR A CA 1 ATOM 612 C C . TYR A 1 82 ? 3.723 -2.064 8.602 1.00 7.12 ? 82 TYR A C 1 ATOM 613 O O . TYR A 1 82 ? 4.046 -2.267 9.792 1.00 7.48 ? 82 TYR A O 1 ATOM 614 C CB . TYR A 1 82 ? 5.970 -1.695 7.467 1.00 6.15 ? 82 TYR A CB 1 ATOM 615 C CG . TYR A 1 82 ? 6.871 -2.151 6.389 1.00 5.88 ? 82 TYR A CG 1 ATOM 616 C CD1 . TYR A 1 82 ? 7.473 -3.417 6.488 1.00 5.42 ? 82 TYR A CD1 1 ATOM 617 C CD2 . TYR A 1 82 ? 7.163 -1.360 5.289 1.00 5.41 ? 82 TYR A CD2 1 ATOM 618 C CE1 . TYR A 1 82 ? 8.352 -3.841 5.517 1.00 5.83 ? 82 TYR A CE1 1 ATOM 619 C CE2 . TYR A 1 82 ? 8.016 -1.776 4.271 1.00 5.45 ? 82 TYR A CE2 1 ATOM 620 C CZ . TYR A 1 82 ? 8.633 -3.034 4.410 1.00 5.55 ? 82 TYR A CZ 1 ATOM 621 O OH . TYR A 1 82 ? 9.467 -3.546 3.478 1.00 6.12 ? 82 TYR A OH 1 ATOM 622 N N . GLY A 1 83 ? 2.584 -1.441 8.268 1.00 6.91 ? 83 GLY A N 1 ATOM 623 C CA . GLY A 1 83 ? 1.634 -1.023 9.289 1.00 7.49 ? 83 GLY A CA 1 ATOM 624 C C . GLY A 1 83 ? 2.161 0.094 10.163 1.00 7.07 ? 83 GLY A C 1 ATOM 625 O O . GLY A 1 83 ? 1.868 0.146 11.377 1.00 7.10 ? 83 GLY A O 1 ATOM 626 N N . ILE A 1 84 ? 2.919 0.995 9.577 1.00 7.34 ? 84 ILE A N 1 ATOM 627 C CA . ILE A 1 84 ? 3.503 2.130 10.312 1.00 7.41 ? 84 ILE A CA 1 ATOM 628 C C . ILE A 1 84 ? 2.770 3.373 9.857 1.00 8.03 ? 84 ILE A C 1 ATOM 629 O O . ILE A 1 84 ? 2.738 3.672 8.693 1.00 9.63 ? 84 ILE A O 1 ATOM 630 C CB . ILE A 1 84 ? 5.004 2.241 9.959 1.00 7.40 ? 84 ILE A CB 1 ATOM 631 C CG1 . ILE A 1 84 ? 5.719 0.985 10.435 1.00 7.28 ? 84 ILE A CG1 1 ATOM 632 C CG2 . ILE A 1 84 ? 5.660 3.514 10.513 1.00 7.22 ? 84 ILE A CG2 1 ATOM 633 C CD1 . ILE A 1 84 ? 7.115 0.851 9.914 1.00 7.49 ? 84 ILE A CD1 1 ATOM 634 N N . THR A 1 85 ? 2.176 4.107 10.783 1.00 8.96 ? 85 THR A N 1 ATOM 635 C CA . THR A 1 85 ? 1.610 5.388 10.500 1.00 9.46 ? 85 THR A CA 1 ATOM 636 C C . THR A 1 85 ? 1.983 6.437 11.548 1.00 9.29 ? 85 THR A C 1 ATOM 637 O O . THR A 1 85 ? 2.276 6.121 12.713 1.00 8.22 ? 85 THR A O 1 ATOM 638 C CB . THR A 1 85 ? 0.097 5.302 10.441 1.00 10.09 ? 85 THR A CB 1 ATOM 639 O OG1 . THR A 1 85 ? -0.362 4.753 11.647 1.00 11.90 ? 85 THR A OG1 1 ATOM 640 C CG2 . THR A 1 85 ? -0.337 4.430 9.343 1.00 10.84 ? 85 THR A CG2 1 ATOM 641 N N . THR A 1 86 ? 1.981 7.679 11.098 1.00 9.32 ? 86 THR A N 1 ATOM 642 C CA . THR A 1 86 ? 2.129 8.816 12.007 1.00 9.10 ? 86 THR A CA 1 ATOM 643 C C . THR A 1 86 ? 0.922 9.737 11.894 1.00 10.07 ? 86 THR A C 1 ATOM 644 O O . THR A 1 86 ? 0.245 9.852 10.863 1.00 8.81 ? 86 THR A O 1 ATOM 645 C CB . THR A 1 86 ? 3.414 9.614 11.766 1.00 8.88 ? 86 THR A CB 1 ATOM 646 O OG1 . THR A 1 86 ? 3.400 10.201 10.446 1.00 8.67 ? 86 THR A OG1 1 ATOM 647 C CG2 . THR A 1 86 ? 4.675 8.712 11.929 1.00 8.58 ? 86 THR A CG2 1 ATOM 648 N N . SER A 1 87 ? 0.695 10.439 12.989 1.00 10.01 ? 87 SER A N 1 ATOM 649 C CA . SER A 1 87 ? -0.332 11.432 13.060 1.00 10.54 ? 87 SER A CA 1 ATOM 650 C C . SER A 1 87 ? 0.164 12.543 13.941 1.00 10.29 ? 87 SER A C 1 ATOM 651 O O . SER A 1 87 ? 0.017 12.444 15.145 1.00 11.71 ? 87 SER A O 1 ATOM 652 C CB . SER A 1 87 ? -1.582 10.775 13.670 1.00 11.64 ? 87 SER A CB 1 ATOM 653 O OG . SER A 1 87 ? -2.692 11.701 13.802 1.00 13.00 ? 87 SER A OG 1 ATOM 654 N N . GLY A 1 88 ? 0.732 13.603 13.383 1.00 9.48 ? 88 GLY A N 1 ATOM 655 C CA . GLY A 1 88 ? 1.236 14.708 14.204 1.00 8.91 ? 88 GLY A CA 1 ATOM 656 C C . GLY A 1 88 ? 2.455 14.317 15.047 1.00 8.58 ? 88 GLY A C 1 ATOM 657 O O . GLY A 1 88 ? 3.532 14.030 14.508 1.00 7.96 ? 88 GLY A O 1 ATOM 658 N N . ASN A 1 89 ? 2.242 14.243 16.352 1.00 8.08 ? 89 ASN A N 1 ATOM 659 C CA . ASN A 1 89 ? 3.293 13.799 17.309 1.00 8.70 ? 89 ASN A CA 1 ATOM 660 C C . ASN A 1 89 ? 3.236 12.318 17.713 1.00 8.03 ? 89 ASN A C 1 ATOM 661 O O . ASN A 1 89 ? 3.992 11.913 18.613 1.00 7.80 ? 89 ASN A O 1 ATOM 662 C CB . ASN A 1 89 ? 3.289 14.696 18.550 1.00 9.91 ? 89 ASN A CB 1 ATOM 663 C CG . ASN A 1 89 ? 2.103 14.457 19.479 1.00 10.70 ? 89 ASN A CG 1 ATOM 664 O OD1 . ASN A 1 89 ? 1.430 13.435 19.423 1.00 11.26 ? 89 ASN A OD1 1 ATOM 665 N ND2 . ASN A 1 89 ? 1.833 15.437 20.340 1.00 11.39 ? 89 ASN A ND2 1 ATOM 666 N N . SER A 1 90 ? 2.404 11.538 17.009 1.00 7.93 ? 90 SER A N 1 ATOM 667 C CA . SER A 1 90 ? 2.043 10.187 17.343 1.00 9.10 ? 90 SER A CA 1 ATOM 668 C C . SER A 1 90 ? 2.559 9.205 16.284 1.00 8.56 ? 90 SER A C 1 ATOM 669 O O . SER A 1 90 ? 2.435 9.470 15.082 1.00 7.78 ? 90 SER A O 1 ATOM 670 C CB . SER A 1 90 ? 0.507 10.057 17.358 1.00 10.70 ? 90 SER A CB 1 ATOM 671 O OG . SER A 1 90 ? 0.254 8.865 17.995 1.00 15.33 ? 90 SER A OG 1 ATOM 672 N N . LEU A 1 91 ? 3.178 8.119 16.729 1.00 7.78 ? 91 LEU A N 1 ATOM 673 C CA . LEU A 1 91 ? 3.653 7.048 15.840 1.00 7.57 ? 91 LEU A CA 1 ATOM 674 C C . LEU A 1 91 ? 3.013 5.742 16.257 1.00 6.98 ? 91 LEU A C 1 ATOM 675 O O . LEU A 1 91 ? 3.134 5.344 17.403 1.00 7.50 ? 91 LEU A O 1 ATOM 676 C CB . LEU A 1 91 ? 5.193 6.868 16.006 1.00 6.91 ? 91 LEU A CB 1 ATOM 677 C CG . LEU A 1 91 ? 5.862 5.653 15.382 1.00 6.88 ? 91 LEU A CG 1 ATOM 678 C CD1 . LEU A 1 91 ? 5.767 5.660 13.870 1.00 7.21 ? 91 LEU A CD1 1 ATOM 679 C CD2 . LEU A 1 91 ? 7.360 5.555 15.773 1.00 6.92 ? 91 LEU A CD2 1 ATOM 680 N N . ARG A 1 92 ? 2.360 5.081 15.333 1.00 6.83 ? 92 ARG A N 1 ATOM 681 C CA . ARG A 1 92 ? 1.714 3.802 15.521 1.00 7.22 ? 92 ARG A CA 1 ATOM 682 C C . ARG A 1 92 ? 2.427 2.724 14.724 1.00 6.74 ? 92 ARG A C 1 ATOM 683 O O . ARG A 1 92 ? 2.595 2.825 13.564 1.00 5.94 ? 92 ARG A O 1 ATOM 684 C CB . ARG A 1 92 ? 0.240 3.839 15.154 1.00 8.52 ? 92 ARG A CB 1 ATOM 685 C CG . ARG A 1 92 ? -0.449 2.519 15.343 1.00 9.57 ? 92 ARG A CG 1 ATOM 686 C CD . ARG A 1 92 ? -1.952 2.624 15.129 1.00 11.68 ? 92 ARG A CD 1 ATOM 687 N NE . ARG A 1 92 ? -2.478 1.289 14.873 1.00 13.55 ? 92 ARG A NE 1 ATOM 688 C CZ . ARG A 1 92 ? -3.741 0.914 14.954 1.00 14.80 ? 92 ARG A CZ 1 ATOM 689 N NH1 . ARG A 1 92 ? -4.046 -0.339 14.665 1.00 15.00 ? 92 ARG A NH1 1 ATOM 690 N NH2 . ARG A 1 92 ? -4.685 1.809 15.234 1.00 16.17 ? 92 ARG A NH2 1 ATOM 691 N N . LEU A 1 93 ? 2.848 1.687 15.440 1.00 7.05 ? 93 LEU A N 1 ATOM 692 C CA . LEU A 1 93 ? 3.474 0.500 14.881 1.00 6.80 ? 93 LEU A CA 1 ATOM 693 C C . LEU A 1 93 ? 2.508 -0.694 15.053 1.00 6.84 ? 93 LEU A C 1 ATOM 694 O O . LEU A 1 93 ? 2.235 -1.114 16.170 1.00 6.44 ? 93 LEU A O 1 ATOM 695 C CB . LEU A 1 93 ? 4.798 0.155 15.574 1.00 6.61 ? 93 LEU A CB 1 ATOM 696 C CG . LEU A 1 93 ? 5.774 1.342 15.654 1.00 6.85 ? 93 LEU A CG 1 ATOM 697 C CD1 . LEU A 1 93 ? 7.056 0.912 16.393 1.00 7.20 ? 93 LEU A CD1 1 ATOM 698 C CD2 . LEU A 1 93 ? 6.105 2.001 14.362 1.00 6.95 ? 93 LEU A CD2 1 ATOM 699 N N . ASN A 1 94 ? 2.012 -1.206 13.940 1.00 6.98 ? 94 ASN A N 1 ATOM 700 C CA . ASN A 1 94 ? 1.200 -2.411 13.945 1.00 7.78 ? 94 ASN A CA 1 ATOM 701 C C . ASN A 1 94 ? 2.030 -3.671 14.075 1.00 7.84 ? 94 ASN A C 1 ATOM 702 O O . ASN A 1 94 ? 3.200 -3.732 13.691 1.00 7.09 ? 94 ASN A O 1 ATOM 703 C CB . ASN A 1 94 ? 0.359 -2.459 12.706 1.00 8.67 ? 94 ASN A CB 1 ATOM 704 C CG . ASN A 1 94 ? -0.800 -1.490 12.761 1.00 8.73 ? 94 ASN A CG 1 ATOM 705 O OD1 . ASN A 1 94 ? -0.998 -0.781 13.747 1.00 9.98 ? 94 ASN A OD1 1 ATOM 706 N ND2 . ASN A 1 94 ? -1.565 -1.428 11.688 1.00 9.49 ? 94 ASN A ND2 1 ATOM 707 N N . PHE A 1 95 ? 1.423 -4.709 14.611 1.00 7.91 ? 95 PHE A N 1 ATOM 708 C CA . PHE A 1 95 ? 2.112 -5.992 14.755 1.00 8.12 ? 95 PHE A CA 1 ATOM 709 C C . PHE A 1 95 ? 2.160 -6.778 13.428 1.00 9.05 ? 95 PHE A C 1 ATOM 710 O O . PHE A 1 95 ? 3.125 -6.675 12.631 1.00 8.85 ? 95 PHE A O 1 ATOM 711 C CB . PHE A 1 95 ? 1.481 -6.734 15.916 1.00 8.30 ? 95 PHE A CB 1 ATOM 712 C CG . PHE A 1 95 ? 2.237 -7.966 16.394 1.00 9.01 ? 95 PHE A CG 1 ATOM 713 C CD1 . PHE A 1 95 ? 3.624 -7.950 16.612 1.00 9.11 ? 95 PHE A CD1 1 ATOM 714 C CD2 . PHE A 1 95 ? 1.537 -9.156 16.701 1.00 9.00 ? 95 PHE A CD2 1 ATOM 715 C CE1 . PHE A 1 95 ? 4.268 -9.115 17.053 1.00 10.49 ? 95 PHE A CE1 1 ATOM 716 C CE2 . PHE A 1 95 ? 2.183 -10.297 17.163 1.00 9.23 ? 95 PHE A CE2 1 ATOM 717 C CZ . PHE A 1 95 ? 3.545 -10.287 17.326 1.00 9.79 ? 95 PHE A CZ 1 ATOM 718 N N . VAL A 1 96 ? 1.123 -7.556 13.127 1.00 9.71 ? 96 VAL A N 1 ATOM 719 C CA . VAL A 1 96 ? 1.155 -8.318 11.904 1.00 9.86 ? 96 VAL A CA 1 ATOM 720 C C . VAL A 1 96 ? 0.472 -7.551 10.759 1.00 10.20 ? 96 VAL A C 1 ATOM 721 O O . VAL A 1 96 ? -0.666 -7.089 10.868 1.00 10.95 ? 96 VAL A O 1 ATOM 722 C CB . VAL A 1 96 ? 0.486 -9.682 12.097 1.00 9.86 ? 96 VAL A CB 1 ATOM 723 C CG1 . VAL A 1 96 ? 0.285 -10.378 10.751 1.00 10.97 ? 96 VAL A CG1 1 ATOM 724 C CG2 . VAL A 1 96 ? 1.272 -10.536 13.083 1.00 10.16 ? 96 VAL A CG2 1 ATOM 725 N N . THR A 1 97 ? 1.183 -7.434 9.662 1.00 11.24 ? 97 THR A N 1 ATOM 726 C CA . THR A 1 97 ? 0.676 -6.861 8.419 1.00 12.36 ? 97 THR A CA 1 ATOM 727 C C . THR A 1 97 ? 1.081 -7.800 7.312 1.00 13.26 ? 97 THR A C 1 ATOM 728 O O . THR A 1 97 ? 2.233 -7.860 6.880 1.00 11.96 ? 97 THR A O 1 ATOM 729 C CB . THR A 1 97 ? 1.205 -5.469 8.130 1.00 12.49 ? 97 THR A CB 1 ATOM 730 O OG1 . THR A 1 97 ? 0.935 -4.615 9.232 1.00 13.16 ? 97 THR A OG1 1 ATOM 731 C CG2 . THR A 1 97 ? 0.541 -4.866 6.821 1.00 13.16 ? 97 THR A CG2 1 ATOM 732 N N . GLY A 1 98 ? 0.116 -8.611 6.888 1.00 14.29 ? 98 GLY A N 1 ATOM 733 C CA . GLY A 1 98 ? 0.426 -9.767 6.071 1.00 15.34 ? 98 GLY A CA 1 ATOM 734 C C . GLY A 1 98 ? 1.399 -10.725 6.689 1.00 15.90 ? 98 GLY A C 1 ATOM 735 O O . GLY A 1 98 ? 1.139 -11.324 7.724 1.00 16.79 ? 98 GLY A O 1 ATOM 736 N N . SER A 1 99 ? 2.547 -10.906 6.044 1.00 15.16 ? 99 SER A N 1 ATOM 737 C CA . SER A 1 99 ? 3.573 -11.761 6.630 1.00 15.35 ? 99 SER A CA 1 ATOM 738 C C . SER A 1 99 ? 4.634 -10.953 7.403 1.00 12.47 ? 99 SER A C 1 ATOM 739 O O . SER A 1 99 ? 5.543 -11.511 8.071 1.00 12.42 ? 99 SER A O 1 ATOM 740 C CB . SER A 1 99 ? 4.215 -12.616 5.542 1.00 18.15 ? 99 SER A CB 1 ATOM 741 O OG . SER A 1 99 ? 5.075 -11.785 4.784 1.00 22.90 ? 99 SER A OG 1 ATOM 742 N N . ASN A 1 100 ? 4.473 -9.636 7.387 1.00 10.59 ? 100 ASN A N 1 ATOM 743 C CA . ASN A 1 100 ? 5.398 -8.768 8.162 1.00 9.01 ? 100 ASN A CA 1 ATOM 744 C C . ASN A 1 100 ? 5.023 -8.744 9.647 1.00 9.11 ? 100 ASN A C 1 ATOM 745 O O . ASN A 1 100 ? 3.834 -8.590 9.981 1.00 8.45 ? 100 ASN A O 1 ATOM 746 C CB . ASN A 1 100 ? 5.317 -7.336 7.650 1.00 7.84 ? 100 ASN A CB 1 ATOM 747 C CG . ASN A 1 100 ? 6.255 -6.458 8.370 1.00 7.81 ? 100 ASN A CG 1 ATOM 748 O OD1 . ASN A 1 100 ? 7.450 -6.520 8.122 1.00 7.06 ? 100 ASN A OD1 1 ATOM 749 N ND2 . ASN A 1 100 ? 5.742 -5.630 9.258 1.00 7.40 ? 100 ASN A ND2 1 ATOM 750 N N . VAL A 1 101 ? 6.052 -8.833 10.497 1.00 8.55 ? 101 VAL A N 1 ATOM 751 C CA . VAL A 1 101 ? 5.868 -8.784 11.931 1.00 9.37 ? 101 VAL A CA 1 ATOM 752 C C . VAL A 1 101 ? 6.614 -7.646 12.598 1.00 9.19 ? 101 VAL A C 1 ATOM 753 O O . VAL A 1 101 ? 7.829 -7.700 12.760 1.00 8.80 ? 101 VAL A O 1 ATOM 754 C CB . VAL A 1 101 ? 6.266 -10.082 12.594 1.00 10.37 ? 101 VAL A CB 1 ATOM 755 C CG1 . VAL A 1 101 ? 5.866 -10.031 14.055 1.00 10.84 ? 101 VAL A CG1 1 ATOM 756 C CG2 . VAL A 1 101 ? 5.568 -11.217 11.903 1.00 11.19 ? 101 VAL A CG2 1 ATOM 757 N N . GLY A 1 102 ? 5.874 -6.593 12.936 1.00 8.56 ? 102 GLY A N 1 ATOM 758 C CA . GLY A 1 102 ? 6.470 -5.461 13.639 1.00 8.09 ? 102 GLY A CA 1 ATOM 759 C C . GLY A 1 102 ? 7.412 -4.687 12.729 1.00 7.81 ? 102 GLY A C 1 ATOM 760 O O . GLY A 1 102 ? 7.326 -4.742 11.482 1.00 7.40 ? 102 GLY A O 1 ATOM 761 N N . SER A 1 103 ? 8.277 -3.920 13.394 1.00 7.12 ? 103 SER A N 1 ATOM 762 C CA . SER A 1 103 ? 9.104 -2.973 12.726 1.00 6.52 ? 103 SER A CA 1 ATOM 763 C C . SER A 1 103 ? 10.073 -2.442 13.736 1.00 5.75 ? 103 SER A C 1 ATOM 764 O O . SER A 1 103 ? 9.869 -2.612 14.930 1.00 5.34 ? 103 SER A O 1 ATOM 765 C CB . SER A 1 103 ? 8.208 -1.815 12.189 1.00 6.89 ? 103 SER A CB 1 ATOM 766 O OG . SER A 1 103 ? 7.446 -1.168 13.161 1.00 7.06 ? 103 SER A OG 1 ATOM 767 N N . ARG A 1 104 ? 11.109 -1.775 13.228 1.00 4.96 ? 104 ARG A N 1 ATOM 768 C CA . ARG A 1 104 ? 12.041 -1.030 14.024 1.00 4.62 ? 104 ARG A CA 1 ATOM 769 C C . ARG A 1 104 ? 12.300 0.246 13.240 1.00 4.51 ? 104 ARG A C 1 ATOM 770 O O . ARG A 1 104 ? 12.552 0.188 12.040 1.00 3.93 ? 104 ARG A O 1 ATOM 771 C CB . ARG A 1 104 ? 13.322 -1.819 14.267 1.00 4.75 ? 104 ARG A CB 1 ATOM 772 C CG . ARG A 1 104 ? 14.366 -1.073 14.997 1.00 4.91 ? 104 ARG A CG 1 ATOM 773 C CD . ARG A 1 104 ? 15.508 -1.903 15.564 1.00 5.11 ? 104 ARG A CD 1 ATOM 774 N NE . ARG A 1 104 ? 16.330 -2.394 14.499 1.00 5.34 ? 104 ARG A NE 1 ATOM 775 C CZ . ARG A 1 104 ? 16.546 -3.697 14.204 1.00 5.26 ? 104 ARG A CZ 1 ATOM 776 N NH1 . ARG A 1 104 ? 17.427 -4.024 13.253 1.00 5.47 ? 104 ARG A NH1 1 ATOM 777 N NH2 . ARG A 1 104 ? 15.913 -4.686 14.852 1.00 5.61 ? 104 ARG A NH2 1 ATOM 778 N N . THR A 1 105 ? 12.158 1.402 13.902 1.00 4.52 ? 105 THR A N 1 ATOM 779 C CA . THR A 1 105 ? 12.190 2.720 13.282 1.00 4.52 ? 105 THR A CA 1 ATOM 780 C C . THR A 1 105 ? 13.097 3.660 14.085 1.00 4.81 ? 105 THR A C 1 ATOM 781 O O . THR A 1 105 ? 13.327 3.444 15.273 1.00 5.37 ? 105 THR A O 1 ATOM 782 C CB . THR A 1 105 ? 10.740 3.378 13.227 1.00 4.43 ? 105 THR A CB 1 ATOM 783 O OG1 . THR A 1 105 ? 10.254 3.676 14.543 1.00 4.39 ? 105 THR A OG1 1 ATOM 784 C CG2 . THR A 1 105 ? 9.778 2.438 12.571 1.00 4.55 ? 105 THR A CG2 1 ATOM 785 N N . TYR A 1 106 ? 13.590 4.696 13.397 1.00 4.95 ? 106 TYR A N 1 ATOM 786 C CA . TYR A 1 106 ? 14.557 5.663 13.923 1.00 5.05 ? 106 TYR A CA 1 ATOM 787 C C . TYR A 1 106 ? 14.056 7.073 13.618 1.00 5.18 ? 106 TYR A C 1 ATOM 788 O O . TYR A 1 106 ? 13.638 7.387 12.509 1.00 5.40 ? 106 TYR A O 1 ATOM 789 C CB . TYR A 1 106 ? 15.990 5.478 13.317 1.00 5.12 ? 106 TYR A CB 1 ATOM 790 C CG . TYR A 1 106 ? 16.465 4.066 13.289 1.00 5.23 ? 106 TYR A CG 1 ATOM 791 C CD1 . TYR A 1 106 ? 16.675 3.375 14.481 1.00 5.44 ? 106 TYR A CD1 1 ATOM 792 C CD2 . TYR A 1 106 ? 16.562 3.366 12.093 1.00 5.39 ? 106 TYR A CD2 1 ATOM 793 C CE1 . TYR A 1 106 ? 17.057 2.031 14.494 1.00 5.38 ? 106 TYR A CE1 1 ATOM 794 C CE2 . TYR A 1 106 ? 16.935 2.012 12.083 1.00 5.28 ? 106 TYR A CE2 1 ATOM 795 C CZ . TYR A 1 106 ? 17.195 1.372 13.296 1.00 5.33 ? 106 TYR A CZ 1 ATOM 796 O OH . TYR A 1 106 ? 17.541 0.070 13.314 1.00 5.41 ? 106 TYR A OH 1 ATOM 797 N N . LEU A 1 107 ? 14.163 7.927 14.616 1.00 5.24 ? 107 LEU A N 1 ATOM 798 C CA . LEU A 1 107 ? 13.910 9.350 14.440 1.00 5.40 ? 107 LEU A CA 1 ATOM 799 C C . LEU A 1 107 ? 15.009 10.056 13.646 1.00 5.86 ? 107 LEU A C 1 ATOM 800 O O . LEU A 1 107 ? 16.205 9.918 13.974 1.00 5.78 ? 107 LEU A O 1 ATOM 801 C CB . LEU A 1 107 ? 13.762 10.081 15.799 1.00 5.67 ? 107 LEU A CB 1 ATOM 802 C CG . LEU A 1 107 ? 13.198 11.522 15.676 1.00 5.63 ? 107 LEU A CG 1 ATOM 803 C CD1 . LEU A 1 107 ? 11.717 11.576 15.333 1.00 5.79 ? 107 LEU A CD1 1 ATOM 804 C CD2 . LEU A 1 107 ? 13.359 12.287 17.000 1.00 5.94 ? 107 LEU A CD2 1 ATOM 805 N N . MET A 1 108 ? 14.592 10.831 12.612 1.00 6.24 ? 108 MET A N 1 ATOM 806 C CA . MET A 1 108 ? 15.478 11.531 11.685 1.00 6.84 ? 108 MET A CA 1 ATOM 807 C C . MET A 1 108 ? 15.578 13.029 12.032 1.00 7.28 ? 108 MET A C 1 ATOM 808 O O . MET A 1 108 ? 14.557 13.669 12.404 1.00 7.17 ? 108 MET A O 1 ATOM 809 C CB . MET A 1 108 ? 14.863 11.412 10.270 1.00 7.10 ? 108 MET A CB 1 ATOM 810 C CG . MET A 1 108 ? 14.548 9.968 9.837 1.00 7.41 ? 108 MET A CG 1 ATOM 811 S SD . MET A 1 108 ? 16.070 8.973 9.860 1.00 8.23 ? 108 MET A SD 1 ATOM 812 C CE . MET A 1 108 ? 16.846 9.573 8.405 1.00 8.39 ? 108 MET A CE 1 ATOM 813 N N . ALA A 1 109 ? 16.784 13.553 11.913 1.00 8.23 ? 109 ALA A N 1 ATOM 814 C CA . ALA A 1 109 ? 17.058 15.010 11.870 1.00 9.21 ? 109 ALA A CA 1 ATOM 815 C C . ALA A 1 109 ? 16.827 15.632 10.470 1.00 11.15 ? 109 ALA A C 1 ATOM 816 O O . ALA A 1 109 ? 16.391 16.787 10.342 1.00 11.46 ? 109 ALA A O 1 ATOM 817 C CB . ALA A 1 109 ? 18.460 15.292 12.312 1.00 9.83 ? 109 ALA A CB 1 ATOM 818 N N . ASP A 1 110 ? 17.170 14.875 9.429 1.00 10.39 ? 110 ASP A N 1 ATOM 819 C CA . ASP A 1 110 ? 16.851 15.246 8.080 1.00 11.61 ? 110 ASP A CA 1 ATOM 820 C C . ASP A 1 110 ? 16.790 13.972 7.241 1.00 10.98 ? 110 ASP A C 1 ATOM 821 O O . ASP A 1 110 ? 16.827 12.856 7.782 1.00 10.22 ? 110 ASP A O 1 ATOM 822 C CB . ASP A 1 110 ? 17.839 16.298 7.511 1.00 13.16 ? 110 ASP A CB 1 ATOM 823 C CG . ASP A 1 110 ? 19.279 15.831 7.558 1.00 15.34 ? 110 ASP A CG 1 ATOM 824 O OD1 . ASP A 1 110 ? 19.664 14.677 7.106 1.00 13.57 ? 110 ASP A OD1 1 ATOM 825 O OD2 . ASP A 1 110 ? 20.067 16.643 8.110 1.00 21.72 ? 110 ASP A OD2 1 ATOM 826 N N . ASN A 1 111 ? 16.728 14.116 5.916 1.00 10.39 ? 111 ASN A N 1 ATOM 827 C CA . ASN A 1 111 ? 16.562 12.936 5.076 1.00 10.58 ? 111 ASN A CA 1 ATOM 828 C C . ASN A 1 111 ? 17.733 11.974 5.130 1.00 10.38 ? 111 ASN A C 1 ATOM 829 O O . ASN A 1 111 ? 17.534 10.796 4.820 1.00 9.23 ? 111 ASN A O 1 ATOM 830 C CB . ASN A 1 111 ? 16.171 13.222 3.611 1.00 12.59 ? 111 ASN A CB 1 ATOM 831 C CG . ASN A 1 111 ? 16.962 14.334 2.995 1.00 14.35 ? 111 ASN A CG 1 ATOM 832 O OD1 . ASN A 1 111 ? 17.176 15.384 3.619 1.00 17.04 ? 111 ASN A OD1 1 ATOM 833 N ND2 . ASN A 1 111 ? 17.456 14.109 1.775 1.00 15.73 ? 111 ASN A ND2 1 ATOM 834 N N . THR A 1 112 ? 18.920 12.441 5.532 1.00 8.49 ? 112 THR A N 1 ATOM 835 C CA . THR A 1 112 ? 20.092 11.584 5.528 1.00 8.15 ? 112 THR A CA 1 ATOM 836 C C . THR A 1 112 ? 20.791 11.449 6.908 1.00 7.72 ? 112 THR A C 1 ATOM 837 O O . THR A 1 112 ? 21.954 10.998 6.997 1.00 8.26 ? 112 THR A O 1 ATOM 838 C CB . THR A 1 112 ? 21.140 12.054 4.469 1.00 8.64 ? 112 THR A CB 1 ATOM 839 O OG1 . THR A 1 112 ? 21.581 13.375 4.761 1.00 8.53 ? 112 THR A OG1 1 ATOM 840 C CG2 . THR A 1 112 ? 20.600 11.945 3.058 1.00 9.10 ? 112 THR A CG2 1 ATOM 841 N N . HIS A 1 113 ? 20.131 11.868 7.977 1.00 7.10 ? 113 HIS A N 1 ATOM 842 C CA . HIS A 1 113 ? 20.730 11.799 9.296 1.00 7.14 ? 113 HIS A CA 1 ATOM 843 C C . HIS A 1 113 ? 19.689 11.512 10.366 1.00 6.47 ? 113 HIS A C 1 ATOM 844 O O . HIS A 1 113 ? 18.614 12.107 10.394 1.00 6.48 ? 113 HIS A O 1 ATOM 845 C CB . HIS A 1 113 ? 21.437 13.121 9.716 1.00 7.66 ? 113 HIS A CB 1 ATOM 846 C CG . HIS A 1 113 ? 22.568 13.520 8.821 1.00 8.37 ? 113 HIS A CG 1 ATOM 847 N ND1 . HIS A 1 113 ? 22.373 14.161 7.620 1.00 9.38 ? 113 HIS A ND1 1 ATOM 848 C CD2 . HIS A 1 113 ? 23.896 13.374 8.954 1.00 9.04 ? 113 HIS A CD2 1 ATOM 849 C CE1 . HIS A 1 113 ? 23.543 14.374 7.027 1.00 9.79 ? 113 HIS A CE1 1 ATOM 850 N NE2 . HIS A 1 113 ? 24.482 13.884 7.809 1.00 9.50 ? 113 HIS A NE2 1 ATOM 851 N N . TYR A 1 114 ? 20.028 10.592 11.218 1.00 5.57 ? 114 TYR A N 1 ATOM 852 C CA . TYR A 1 114 ? 19.303 10.315 12.456 1.00 5.70 ? 114 TYR A CA 1 ATOM 853 C C . TYR A 1 114 ? 19.460 11.513 13.374 1.00 6.10 ? 114 TYR A C 1 ATOM 854 O O . TYR A 1 114 ? 20.512 12.210 13.409 1.00 5.69 ? 114 TYR A O 1 ATOM 855 C CB . TYR A 1 114 ? 19.878 9.104 13.199 1.00 5.35 ? 114 TYR A CB 1 ATOM 856 C CG . TYR A 1 114 ? 19.838 7.826 12.354 1.00 5.14 ? 114 TYR A CG 1 ATOM 857 C CD1 . TYR A 1 114 ? 18.612 7.371 11.810 1.00 4.90 ? 114 TYR A CD1 1 ATOM 858 C CD2 . TYR A 1 114 ? 20.979 7.081 12.141 1.00 4.83 ? 114 TYR A CD2 1 ATOM 859 C CE1 . TYR A 1 114 ? 18.521 6.222 11.101 1.00 4.91 ? 114 TYR A CE1 1 ATOM 860 C CE2 . TYR A 1 114 ? 20.911 5.915 11.398 1.00 4.81 ? 114 TYR A CE2 1 ATOM 861 C CZ . TYR A 1 114 ? 19.696 5.495 10.851 1.00 4.99 ? 114 TYR A CZ 1 ATOM 862 O OH . TYR A 1 114 ? 19.610 4.326 10.063 1.00 5.29 ? 114 TYR A OH 1 ATOM 863 N N . GLN A 1 115 ? 18.397 11.773 14.120 1.00 6.49 ? 115 GLN A N 1 ATOM 864 C CA . GLN A 1 115 ? 18.491 12.712 15.200 1.00 7.20 ? 115 GLN A CA 1 ATOM 865 C C . GLN A 1 115 ? 19.385 12.185 16.331 1.00 7.57 ? 115 GLN A C 1 ATOM 866 O O . GLN A 1 115 ? 19.252 11.040 16.758 1.00 7.63 ? 115 GLN A O 1 ATOM 867 C CB . GLN A 1 115 ? 17.079 13.086 15.716 1.00 7.69 ? 115 GLN A CB 1 ATOM 868 C CG . GLN A 1 115 ? 17.090 14.071 16.888 1.00 8.46 ? 115 GLN A CG 1 ATOM 869 C CD . GLN A 1 115 ? 17.485 15.443 16.505 1.00 8.92 ? 115 GLN A CD 1 ATOM 870 O OE1 . GLN A 1 115 ? 17.106 15.933 15.452 1.00 9.69 ? 115 GLN A OE1 1 ATOM 871 N NE2 . GLN A 1 115 ? 18.248 16.110 17.378 1.00 10.02 ? 115 GLN A NE2 1 ATOM 872 N N . ILE A 1 116 ? 20.276 13.043 16.822 1.00 8.18 ? 116 ILE A N 1 ATOM 873 C CA . ILE A 1 116 ? 21.108 12.649 17.930 1.00 8.88 ? 116 ILE A CA 1 ATOM 874 C C . ILE A 1 116 ? 20.599 13.346 19.193 1.00 9.32 ? 116 ILE A C 1 ATOM 875 O O . ILE A 1 116 ? 20.235 14.540 19.176 1.00 10.41 ? 116 ILE A O 1 ATOM 876 C CB . ILE A 1 116 ? 22.571 13.002 17.686 1.00 9.61 ? 116 ILE A CB 1 ATOM 877 C CG1 . ILE A 1 116 ? 23.146 12.205 16.528 1.00 9.92 ? 116 ILE A CG1 1 ATOM 878 C CG2 . ILE A 1 116 ? 23.398 12.909 18.960 1.00 9.94 ? 116 ILE A CG2 1 ATOM 879 C CD1 . ILE A 1 116 ? 23.397 10.766 16.840 1.00 10.18 ? 116 ILE A CD1 1 ATOM 880 N N . PHE A 1 117 ? 20.488 12.555 20.239 1.00 9.04 ? 117 PHE A N 1 ATOM 881 C CA . PHE A 1 117 ? 20.098 13.021 21.566 1.00 9.64 ? 117 PHE A CA 1 ATOM 882 C C . PHE A 1 117 ? 21.326 12.983 22.487 1.00 9.89 ? 117 PHE A C 1 ATOM 883 O O . PHE A 1 117 ? 22.096 12.017 22.499 1.00 9.16 ? 117 PHE A O 1 ATOM 884 C CB . PHE A 1 117 ? 18.994 12.156 22.108 1.00 9.63 ? 117 PHE A CB 1 ATOM 885 C CG . PHE A 1 117 ? 17.673 12.365 21.438 1.00 8.79 ? 117 PHE A CG 1 ATOM 886 C CD1 . PHE A 1 117 ? 17.344 11.666 20.246 1.00 8.48 ? 117 PHE A CD1 1 ATOM 887 C CD2 . PHE A 1 117 ? 16.766 13.336 21.922 1.00 8.88 ? 117 PHE A CD2 1 ATOM 888 C CE1 . PHE A 1 117 ? 16.121 11.873 19.625 1.00 8.61 ? 117 PHE A CE1 1 ATOM 889 C CE2 . PHE A 1 117 ? 15.533 13.512 21.314 1.00 9.39 ? 117 PHE A CE2 1 ATOM 890 C CZ . PHE A 1 117 ? 15.236 12.820 20.140 1.00 8.36 ? 117 PHE A CZ 1 ATOM 891 N N . ASP A 1 118 ? 21.504 14.081 23.241 1.00 10.40 ? 118 ASP A N 1 ATOM 892 C CA . ASP A 1 118 ? 22.549 14.211 24.268 1.00 11.92 ? 118 ASP A CA 1 ATOM 893 C C . ASP A 1 118 ? 21.827 14.235 25.626 1.00 10.62 ? 118 ASP A C 1 ATOM 894 O O . ASP A 1 118 ? 21.376 15.268 26.084 1.00 12.83 ? 118 ASP A O 1 ATOM 895 C CB . ASP A 1 118 ? 23.306 15.500 24.034 1.00 13.18 ? 118 ASP A CB 1 ATOM 896 C CG . ASP A 1 118 ? 23.968 15.524 22.647 1.00 16.79 ? 118 ASP A CG 1 ATOM 897 O OD1 . ASP A 1 118 ? 24.680 14.549 22.335 1.00 16.56 ? 118 ASP A OD1 1 ATOM 898 O OD2 . ASP A 1 118 ? 23.706 16.473 21.848 1.00 20.70 ? 118 ASP A OD2 1 ATOM 899 N N . LEU A 1 119 ? 21.710 13.084 26.233 1.00 9.28 ? 119 LEU A N 1 ATOM 900 C CA . LEU A 1 119 ? 20.806 12.831 27.346 1.00 8.59 ? 119 LEU A CA 1 ATOM 901 C C . LEU A 1 119 ? 21.407 13.133 28.722 1.00 7.91 ? 119 LEU A C 1 ATOM 902 O O . LEU A 1 119 ? 20.664 13.278 29.714 1.00 6.85 ? 119 LEU A O 1 ATOM 903 C CB . LEU A 1 119 ? 20.374 11.379 27.299 1.00 9.24 ? 119 LEU A CB 1 ATOM 904 C CG . LEU A 1 119 ? 19.470 11.024 26.095 1.00 9.98 ? 119 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 119 ? 19.193 9.523 26.181 1.00 10.03 ? 119 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 119 ? 18.142 11.735 26.051 1.00 9.68 ? 119 LEU A CD2 1 ATOM 907 N N . LEU A 1 120 ? 22.739 13.156 28.824 1.00 7.39 ? 120 LEU A N 1 ATOM 908 C CA . LEU A 1 120 ? 23.318 13.458 30.142 1.00 7.63 ? 120 LEU A CA 1 ATOM 909 C C . LEU A 1 120 ? 22.785 14.776 30.713 1.00 7.32 ? 120 LEU A C 1 ATOM 910 O O . LEU A 1 120 ? 22.789 15.813 30.029 1.00 6.77 ? 120 LEU A O 1 ATOM 911 C CB . LEU A 1 120 ? 24.845 13.438 30.114 1.00 8.08 ? 120 LEU A CB 1 ATOM 912 C CG . LEU A 1 120 ? 25.426 12.042 29.876 1.00 8.35 ? 120 LEU A CG 1 ATOM 913 C CD1 . LEU A 1 120 ? 26.900 12.105 29.495 1.00 8.97 ? 120 LEU A CD1 1 ATOM 914 C CD2 . LEU A 1 120 ? 25.184 11.093 31.047 1.00 8.31 ? 120 LEU A CD2 1 ATOM 915 N N . ASN A 1 121 ? 22.356 14.748 31.980 1.00 7.44 ? 121 ASN A N 1 ATOM 916 C CA . ASN A 1 121 ? 21.764 15.927 32.638 1.00 8.08 ? 121 ASN A CA 1 ATOM 917 C C . ASN A 1 121 ? 20.510 16.428 31.959 1.00 8.11 ? 121 ASN A C 1 ATOM 918 O O . ASN A 1 121 ? 20.151 17.597 32.082 1.00 7.84 ? 121 ASN A O 1 ATOM 919 C CB . ASN A 1 121 ? 22.804 17.070 32.688 1.00 9.32 ? 121 ASN A CB 1 ATOM 920 C CG . ASN A 1 121 ? 22.519 18.092 33.760 1.00 10.20 ? 121 ASN A CG 1 ATOM 921 O OD1 . ASN A 1 121 ? 22.220 17.765 34.873 1.00 10.41 ? 121 ASN A OD1 1 ATOM 922 N ND2 . ASN A 1 121 ? 22.672 19.363 33.407 1.00 10.96 ? 121 ASN A ND2 1 ATOM 923 N N . GLN A 1 122 ? 19.768 15.540 31.296 1.00 7.90 ? 122 GLN A N 1 ATOM 924 C CA . GLN A 1 122 ? 18.515 15.939 30.712 1.00 8.26 ? 122 GLN A CA 1 ATOM 925 C C . GLN A 1 122 ? 17.388 14.997 31.139 1.00 7.75 ? 122 GLN A C 1 ATOM 926 O O . GLN A 1 122 ? 17.597 13.907 31.673 1.00 7.84 ? 122 GLN A O 1 ATOM 927 C CB . GLN A 1 122 ? 18.546 15.932 29.192 1.00 9.26 ? 122 GLN A CB 1 ATOM 928 C CG . GLN A 1 122 ? 19.610 16.808 28.576 1.00 10.97 ? 122 GLN A CG 1 ATOM 929 C CD . GLN A 1 122 ? 19.163 18.230 28.443 1.00 12.73 ? 122 GLN A CD 1 ATOM 930 O OE1 . GLN A 1 122 ? 18.506 18.633 27.407 1.00 15.52 ? 122 GLN A OE1 1 ATOM 931 N NE2 . GLN A 1 122 ? 19.550 19.032 29.426 1.00 14.40 ? 122 GLN A NE2 1 ATOM 932 N N . GLU A 1 123 ? 16.200 15.470 30.858 1.00 7.17 ? 123 GLU A N 1 ATOM 933 C CA . GLU A 1 123 ? 14.960 14.762 31.062 1.00 7.37 ? 123 GLU A CA 1 ATOM 934 C C . GLU A 1 123 ? 14.391 14.430 29.663 1.00 6.40 ? 123 GLU A C 1 ATOM 935 O O . GLU A 1 123 ? 14.262 15.278 28.766 1.00 5.85 ? 123 GLU A O 1 ATOM 936 C CB . GLU A 1 123 ? 14.066 15.745 31.824 1.00 7.84 ? 123 GLU A CB 1 ATOM 937 C CG . GLU A 1 123 ? 12.671 15.366 32.073 1.00 9.04 ? 123 GLU A CG 1 ATOM 938 C CD . GLU A 1 123 ? 11.989 16.313 33.055 1.00 10.60 ? 123 GLU A CD 1 ATOM 939 O OE1 . GLU A 1 123 ? 12.388 16.342 34.257 1.00 11.53 ? 123 GLU A OE1 1 ATOM 940 O OE2 . GLU A 1 123 ? 11.064 17.021 32.635 1.00 9.85 ? 123 GLU A OE2 1 ATOM 941 N N . PHE A 1 124 ? 13.890 13.219 29.515 1.00 6.18 ? 124 PHE A N 1 ATOM 942 C CA . PHE A 1 124 ? 13.272 12.757 28.300 1.00 6.30 ? 124 PHE A CA 1 ATOM 943 C C . PHE A 1 124 ? 11.924 12.138 28.637 1.00 6.28 ? 124 PHE A C 1 ATOM 944 O O . PHE A 1 124 ? 11.810 11.255 29.505 1.00 5.89 ? 124 PHE A O 1 ATOM 945 C CB . PHE A 1 124 ? 14.194 11.733 27.614 1.00 6.58 ? 124 PHE A CB 1 ATOM 946 C CG . PHE A 1 124 ? 13.654 11.200 26.315 1.00 6.50 ? 124 PHE A CG 1 ATOM 947 C CD1 . PHE A 1 124 ? 12.782 10.169 26.297 1.00 6.95 ? 124 PHE A CD1 1 ATOM 948 C CD2 . PHE A 1 124 ? 13.990 11.847 25.087 1.00 6.31 ? 124 PHE A CD2 1 ATOM 949 C CE1 . PHE A 1 124 ? 12.259 9.727 25.080 1.00 6.89 ? 124 PHE A CE1 1 ATOM 950 C CE2 . PHE A 1 124 ? 13.536 11.358 23.891 1.00 6.75 ? 124 PHE A CE2 1 ATOM 951 C CZ . PHE A 1 124 ? 12.636 10.305 23.889 1.00 6.77 ? 124 PHE A CZ 1 ATOM 952 N N . THR A 1 125 ? 10.911 12.587 27.923 1.00 6.16 ? 125 THR A N 1 ATOM 953 C CA . THR A 1 125 ? 9.532 12.259 28.166 1.00 6.75 ? 125 THR A CA 1 ATOM 954 C C . THR A 1 125 ? 8.837 11.776 26.890 1.00 6.30 ? 125 THR A C 1 ATOM 955 O O . THR A 1 125 ? 9.145 12.259 25.785 1.00 6.56 ? 125 THR A O 1 ATOM 956 C CB . THR A 1 125 ? 8.804 13.454 28.787 1.00 7.37 ? 125 THR A CB 1 ATOM 957 O OG1 . THR A 1 125 ? 9.472 13.783 30.005 1.00 7.56 ? 125 THR A OG1 1 ATOM 958 C CG2 . THR A 1 125 ? 7.322 13.196 29.048 1.00 7.77 ? 125 THR A CG2 1 ATOM 959 N N . PHE A 1 126 ? 7.935 10.780 27.047 1.00 6.21 ? 126 PHE A N 1 ATOM 960 C CA . PHE A 1 126 ? 7.060 10.354 25.980 1.00 5.96 ? 126 PHE A CA 1 ATOM 961 C C . PHE A 1 126 ? 5.768 9.834 26.545 1.00 6.15 ? 126 PHE A C 1 ATOM 962 O O . PHE A 1 126 ? 5.666 9.532 27.739 1.00 5.85 ? 126 PHE A O 1 ATOM 963 C CB . PHE A 1 126 ? 7.724 9.308 25.100 1.00 5.92 ? 126 PHE A CB 1 ATOM 964 C CG . PHE A 1 126 ? 8.026 8.028 25.826 1.00 5.79 ? 126 PHE A CG 1 ATOM 965 C CD1 . PHE A 1 126 ? 9.140 7.898 26.620 1.00 5.88 ? 126 PHE A CD1 1 ATOM 966 C CD2 . PHE A 1 126 ? 7.125 6.961 25.764 1.00 5.87 ? 126 PHE A CD2 1 ATOM 967 C CE1 . PHE A 1 126 ? 9.348 6.713 27.322 1.00 5.81 ? 126 PHE A CE1 1 ATOM 968 C CE2 . PHE A 1 126 ? 7.337 5.774 26.442 1.00 6.04 ? 126 PHE A CE2 1 ATOM 969 C CZ . PHE A 1 126 ? 8.463 5.648 27.229 1.00 5.48 ? 126 PHE A CZ 1 ATOM 970 N N . THR A 1 127 ? 4.781 9.742 25.673 1.00 6.04 ? 127 THR A N 1 ATOM 971 C CA . THR A 1 127 ? 3.508 9.143 26.047 1.00 6.75 ? 127 THR A CA 1 ATOM 972 C C . THR A 1 127 ? 3.394 7.799 25.287 1.00 6.67 ? 127 THR A C 1 ATOM 973 O O . THR A 1 127 ? 3.861 7.639 24.162 1.00 6.95 ? 127 THR A O 1 ATOM 974 C CB . THR A 1 127 ? 2.387 10.162 25.814 1.00 7.15 ? 127 THR A CB 1 ATOM 975 O OG1 . THR A 1 127 ? 2.627 11.276 26.680 1.00 7.19 ? 127 THR A OG1 1 ATOM 976 C CG2 . THR A 1 127 ? 1.008 9.574 26.110 1.00 7.84 ? 127 THR A CG2 1 ATOM 977 N N . VAL A 1 128 ? 2.781 6.824 25.931 1.00 6.70 ? 128 VAL A N 1 ATOM 978 C CA . VAL A 1 128 ? 2.593 5.521 25.274 1.00 7.34 ? 128 VAL A CA 1 ATOM 979 C C . VAL A 1 128 ? 1.200 4.925 25.583 1.00 7.51 ? 128 VAL A C 1 ATOM 980 O O . VAL A 1 128 ? 0.667 5.120 26.672 1.00 7.56 ? 128 VAL A O 1 ATOM 981 C CB . VAL A 1 128 ? 3.735 4.541 25.656 1.00 7.03 ? 128 VAL A CB 1 ATOM 982 C CG1 . VAL A 1 128 ? 3.661 4.189 27.132 1.00 7.56 ? 128 VAL A CG1 1 ATOM 983 C CG2 . VAL A 1 128 ? 3.732 3.275 24.797 1.00 7.15 ? 128 VAL A CG2 1 ATOM 984 N N . ASP A 1 129 ? 0.700 4.156 24.624 1.00 7.96 ? 129 ASP A N 1 ATOM 985 C CA . ASP A 1 129 ? -0.538 3.313 24.764 1.00 8.65 ? 129 ASP A CA 1 ATOM 986 C C . ASP A 1 129 ? -0.061 1.873 24.472 1.00 7.85 ? 129 ASP A C 1 ATOM 987 O O . ASP A 1 129 ? 0.346 1.538 23.343 1.00 7.89 ? 129 ASP A O 1 ATOM 988 C CB . ASP A 1 129 ? -1.558 3.731 23.743 1.00 10.29 ? 129 ASP A CB 1 ATOM 989 C CG . ASP A 1 129 ? -2.837 2.968 23.826 1.00 12.35 ? 129 ASP A CG 1 ATOM 990 O OD1 . ASP A 1 129 ? -2.946 1.965 24.546 1.00 12.28 ? 129 ASP A OD1 1 ATOM 991 O OD2 . ASP A 1 129 ? -3.784 3.456 23.144 1.00 17.07 ? 129 ASP A OD2 1 ATOM 992 N N . VAL A 1 130 ? -0.047 1.074 25.534 1.00 7.55 ? 130 VAL A N 1 ATOM 993 C CA . VAL A 1 130 ? 0.284 -0.336 25.479 1.00 7.72 ? 130 VAL A CA 1 ATOM 994 C C . VAL A 1 130 ? -0.928 -1.228 25.585 1.00 7.86 ? 130 VAL A C 1 ATOM 995 O O . VAL A 1 130 ? -0.773 -2.420 25.751 1.00 8.07 ? 130 VAL A O 1 ATOM 996 C CB . VAL A 1 130 ? 1.315 -0.728 26.554 1.00 7.77 ? 130 VAL A CB 1 ATOM 997 C CG1 . VAL A 1 130 ? 2.575 0.096 26.379 1.00 8.02 ? 130 VAL A CG1 1 ATOM 998 C CG2 . VAL A 1 130 ? 0.762 -0.512 27.954 1.00 7.36 ? 130 VAL A CG2 1 ATOM 999 N N . SER A 1 131 ? -2.123 -0.647 25.493 1.00 8.59 ? 131 SER A N 1 ATOM 1000 C CA . SER A 1 131 ? -3.328 -1.337 25.810 1.00 9.37 ? 131 SER A CA 1 ATOM 1001 C C . SER A 1 131 ? -3.534 -2.528 24.896 1.00 10.27 ? 131 SER A C 1 ATOM 1002 O O . SER A 1 131 ? -4.066 -3.543 25.374 1.00 9.37 ? 131 SER A O 1 ATOM 1003 C CB . SER A 1 131 ? -4.531 -0.418 25.782 1.00 9.72 ? 131 SER A CB 1 ATOM 1004 O OG . SER A 1 131 ? -4.719 0.064 24.460 1.00 10.78 ? 131 SER A OG 1 ATOM 1005 N N . HIS A 1 132 ? -3.025 -2.439 23.648 1.00 11.30 ? 132 HIS A N 1 ATOM 1006 C CA . HIS A 1 132 ? -3.054 -3.516 22.672 1.00 12.87 ? 132 HIS A CA 1 ATOM 1007 C C . HIS A 1 132 ? -1.823 -4.390 22.505 1.00 10.84 ? 132 HIS A C 1 ATOM 1008 O O . HIS A 1 132 ? -1.640 -4.966 21.435 1.00 9.61 ? 132 HIS A O 1 ATOM 1009 C CB . HIS A 1 132 ? -3.489 -2.929 21.340 1.00 15.68 ? 132 HIS A CB 1 ATOM 1010 C CG . HIS A 1 132 ? -4.876 -2.387 21.400 1.00 21.55 ? 132 HIS A CG 1 ATOM 1011 N ND1 . HIS A 1 132 ? -5.955 -3.026 20.819 1.00 27.83 ? 132 HIS A ND1 1 ATOM 1012 C CD2 . HIS A 1 132 ? -5.378 -1.320 22.054 1.00 25.49 ? 132 HIS A CD2 1 ATOM 1013 C CE1 . HIS A 1 132 ? -7.058 -2.341 21.081 1.00 28.78 ? 132 HIS A CE1 1 ATOM 1014 N NE2 . HIS A 1 132 ? -6.732 -1.298 21.826 1.00 29.28 ? 132 HIS A NE2 1 ATOM 1015 N N . LEU A 1 133 ? -1.018 -4.498 23.571 1.00 9.65 ? 133 LEU A N 1 ATOM 1016 C CA . LEU A 1 133 ? 0.157 -5.304 23.635 1.00 8.92 ? 133 LEU A CA 1 ATOM 1017 C C . LEU A 1 133 ? -0.044 -6.385 24.705 1.00 9.18 ? 133 LEU A C 1 ATOM 1018 O O . LEU A 1 133 ? 0.223 -6.164 25.879 1.00 7.80 ? 133 LEU A O 1 ATOM 1019 C CB . LEU A 1 133 ? 1.362 -4.451 24.006 1.00 8.83 ? 133 LEU A CB 1 ATOM 1020 C CG . LEU A 1 133 ? 1.819 -3.390 23.005 1.00 8.83 ? 133 LEU A CG 1 ATOM 1021 C CD1 . LEU A 1 133 ? 3.066 -2.640 23.510 1.00 9.63 ? 133 LEU A CD1 1 ATOM 1022 C CD2 . LEU A 1 133 ? 1.972 -3.956 21.572 1.00 9.43 ? 133 LEU A CD2 1 ATOM 1023 N N . PRO A 1 134 ? -0.448 -7.589 24.284 1.00 8.99 ? 134 PRO A N 1 ATOM 1024 C CA . PRO A 1 134 ? -0.555 -8.738 25.198 1.00 10.47 ? 134 PRO A CA 1 ATOM 1025 C C . PRO A 1 134 ? 0.751 -9.457 25.457 1.00 10.02 ? 134 PRO A C 1 ATOM 1026 O O . PRO A 1 134 ? 1.821 -9.009 24.957 1.00 10.88 ? 134 PRO A O 1 ATOM 1027 C CB . PRO A 1 134 ? -1.497 -9.680 24.440 1.00 10.49 ? 134 PRO A CB 1 ATOM 1028 C CG . PRO A 1 134 ? -1.330 -9.370 23.035 1.00 10.81 ? 134 PRO A CG 1 ATOM 1029 C CD . PRO A 1 134 ? -0.785 -7.965 22.901 1.00 9.98 ? 134 PRO A CD 1 ATOM 1030 N N . CYS A 1 135 ? 0.677 -10.527 26.283 1.00 11.28 ? 135 CYS A N 1 ATOM 1031 C CA . CYS A 1 135 ? 1.844 -11.329 26.627 1.00 11.98 ? 135 CYS A CA 1 ATOM 1032 C C . CYS A 1 135 ? 2.692 -11.648 25.411 1.00 10.21 ? 135 CYS A C 1 ATOM 1033 O O . CYS A 1 135 ? 2.195 -12.052 24.355 1.00 9.88 ? 135 CYS A O 1 ATOM 1034 C CB . CYS A 1 135 ? 1.451 -12.646 27.324 1.00 13.60 ? 135 CYS A CB 1 ATOM 1035 S SG . CYS A 1 135 ? 0.760 -12.384 28.972 1.00 18.78 ? 135 CYS A SG 1 ATOM 1036 N N . GLY A 1 136 ? 4.013 -11.449 25.556 1.00 8.96 ? 136 GLY A N 1 ATOM 1037 C CA . GLY A 1 136 ? 4.937 -11.926 24.552 1.00 7.76 ? 136 GLY A CA 1 ATOM 1038 C C . GLY A 1 136 ? 5.366 -10.878 23.545 1.00 7.66 ? 136 GLY A C 1 ATOM 1039 O O . GLY A 1 136 ? 6.285 -11.113 22.753 1.00 8.60 ? 136 GLY A O 1 ATOM 1040 N N . LEU A 1 137 ? 4.726 -9.714 23.599 1.00 6.97 ? 137 LEU A N 1 ATOM 1041 C CA . LEU A 1 137 ? 5.128 -8.594 22.719 1.00 7.05 ? 137 LEU A CA 1 ATOM 1042 C C . LEU A 1 137 ? 5.925 -7.569 23.470 1.00 6.41 ? 137 LEU A C 1 ATOM 1043 O O . LEU A 1 137 ? 5.850 -7.459 24.676 1.00 6.06 ? 137 LEU A O 1 ATOM 1044 C CB . LEU A 1 137 ? 3.951 -7.839 22.087 1.00 7.78 ? 137 LEU A CB 1 ATOM 1045 C CG . LEU A 1 137 ? 2.967 -8.544 21.205 1.00 8.67 ? 137 LEU A CG 1 ATOM 1046 C CD1 . LEU A 1 137 ? 2.414 -7.783 20.010 1.00 8.09 ? 137 LEU A CD1 1 ATOM 1047 C CD2 . LEU A 1 137 ? 3.110 -10.068 21.064 1.00 9.00 ? 137 LEU A CD2 1 ATOM 1048 N N . ASN A 1 138 ? 6.773 -6.823 22.749 1.00 5.85 ? 138 ASN A N 1 ATOM 1049 C CA . ASN A 1 138 ? 7.570 -5.746 23.368 1.00 5.92 ? 138 ASN A CA 1 ATOM 1050 C C . ASN A 1 138 ? 7.497 -4.525 22.445 1.00 5.68 ? 138 ASN A C 1 ATOM 1051 O O . ASN A 1 138 ? 7.993 -4.589 21.293 1.00 5.86 ? 138 ASN A O 1 ATOM 1052 C CB . ASN A 1 138 ? 9.025 -6.242 23.468 1.00 5.81 ? 138 ASN A CB 1 ATOM 1053 C CG . ASN A 1 138 ? 9.963 -5.274 24.176 1.00 5.70 ? 138 ASN A CG 1 ATOM 1054 O OD1 . ASN A 1 138 ? 9.723 -4.074 24.250 1.00 5.99 ? 138 ASN A OD1 1 ATOM 1055 N ND2 . ASN A 1 138 ? 11.104 -5.776 24.608 1.00 5.71 ? 138 ASN A ND2 1 ATOM 1056 N N . GLY A 1 139 ? 6.862 -3.447 22.919 1.00 6.09 ? 139 GLY A N 1 ATOM 1057 C CA . GLY A 1 139 ? 6.916 -2.152 22.292 1.00 5.84 ? 139 GLY A CA 1 ATOM 1058 C C . GLY A 1 139 ? 8.035 -1.395 23.018 1.00 5.89 ? 139 GLY A C 1 ATOM 1059 O O . GLY A 1 139 ? 7.930 -1.125 24.221 1.00 6.09 ? 139 GLY A O 1 ATOM 1060 N N . ALA A 1 140 ? 9.113 -1.119 22.283 1.00 5.53 ? 140 ALA A N 1 ATOM 1061 C CA . ALA A 1 140 ? 10.325 -0.575 22.828 1.00 5.38 ? 140 ALA A CA 1 ATOM 1062 C C . ALA A 1 140 ? 10.579 0.817 22.327 1.00 5.29 ? 140 ALA A C 1 ATOM 1063 O O . ALA A 1 140 ? 10.504 1.122 21.115 1.00 5.44 ? 140 ALA A O 1 ATOM 1064 C CB . ALA A 1 140 ? 11.473 -1.467 22.471 1.00 5.36 ? 140 ALA A CB 1 ATOM 1065 N N . LEU A 1 141 ? 11.007 1.654 23.257 1.00 5.19 ? 141 LEU A N 1 ATOM 1066 C CA . LEU A 1 141 ? 11.535 2.982 22.918 1.00 5.21 ? 141 LEU A CA 1 ATOM 1067 C C . LEU A 1 141 ? 12.845 3.104 23.690 1.00 4.88 ? 141 LEU A C 1 ATOM 1068 O O . LEU A 1 141 ? 12.876 2.883 24.942 1.00 5.49 ? 141 LEU A O 1 ATOM 1069 C CB . LEU A 1 141 ? 10.552 4.094 23.299 1.00 5.53 ? 141 LEU A CB 1 ATOM 1070 C CG . LEU A 1 141 ? 10.950 5.549 22.977 1.00 5.59 ? 141 LEU A CG 1 ATOM 1071 C CD1 . LEU A 1 141 ? 9.762 6.463 22.730 1.00 5.75 ? 141 LEU A CD1 1 ATOM 1072 C CD2 . LEU A 1 141 ? 11.900 6.124 23.988 1.00 5.74 ? 141 LEU A CD2 1 ATOM 1073 N N . TYR A 1 142 ? 13.923 3.328 22.965 1.00 4.46 ? 142 TYR A N 1 ATOM 1074 C CA . TYR A 1 142 ? 15.268 3.274 23.538 1.00 4.49 ? 142 TYR A CA 1 ATOM 1075 C C . TYR A 1 142 ? 16.262 3.973 22.659 1.00 4.52 ? 142 TYR A C 1 ATOM 1076 O O . TYR A 1 142 ? 15.909 4.493 21.587 1.00 4.32 ? 142 TYR A O 1 ATOM 1077 C CB . TYR A 1 142 ? 15.675 1.806 23.760 1.00 4.46 ? 142 TYR A CB 1 ATOM 1078 C CG . TYR A 1 142 ? 15.737 0.976 22.452 1.00 4.59 ? 142 TYR A CG 1 ATOM 1079 C CD1 . TYR A 1 142 ? 14.582 0.462 21.846 1.00 4.84 ? 142 TYR A CD1 1 ATOM 1080 C CD2 . TYR A 1 142 ? 16.951 0.632 21.900 1.00 4.53 ? 142 TYR A CD2 1 ATOM 1081 C CE1 . TYR A 1 142 ? 14.657 -0.318 20.670 1.00 4.88 ? 142 TYR A CE1 1 ATOM 1082 C CE2 . TYR A 1 142 ? 17.055 -0.182 20.773 1.00 4.42 ? 142 TYR A CE2 1 ATOM 1083 C CZ . TYR A 1 142 ? 15.915 -0.681 20.167 1.00 4.76 ? 142 TYR A CZ 1 ATOM 1084 O OH . TYR A 1 142 ? 16.064 -1.475 19.008 1.00 5.28 ? 142 TYR A OH 1 ATOM 1085 N N . PHE A 1 143 ? 17.495 4.032 23.157 1.00 4.80 ? 143 PHE A N 1 ATOM 1086 C CA . PHE A 1 143 ? 18.599 4.720 22.472 1.00 5.16 ? 143 PHE A CA 1 ATOM 1087 C C . PHE A 1 143 ? 19.785 3.804 22.269 1.00 5.05 ? 143 PHE A C 1 ATOM 1088 O O . PHE A 1 143 ? 20.100 2.997 23.117 1.00 4.61 ? 143 PHE A O 1 ATOM 1089 C CB . PHE A 1 143 ? 19.074 5.947 23.244 1.00 5.32 ? 143 PHE A CB 1 ATOM 1090 C CG . PHE A 1 143 ? 18.016 6.917 23.524 1.00 5.75 ? 143 PHE A CG 1 ATOM 1091 C CD1 . PHE A 1 143 ? 17.231 6.723 24.685 1.00 6.31 ? 143 PHE A CD1 1 ATOM 1092 C CD2 . PHE A 1 143 ? 17.785 8.001 22.695 1.00 6.20 ? 143 PHE A CD2 1 ATOM 1093 C CE1 . PHE A 1 143 ? 16.247 7.628 25.007 1.00 6.61 ? 143 PHE A CE1 1 ATOM 1094 C CE2 . PHE A 1 143 ? 16.758 8.931 23.022 1.00 6.04 ? 143 PHE A CE2 1 ATOM 1095 C CZ . PHE A 1 143 ? 15.993 8.706 24.150 1.00 5.97 ? 143 PHE A CZ 1 ATOM 1096 N N . VAL A 1 144 ? 20.416 3.948 21.124 1.00 5.28 ? 144 VAL A N 1 ATOM 1097 C CA . VAL A 1 144 ? 21.666 3.309 20.834 1.00 5.54 ? 144 VAL A CA 1 ATOM 1098 C C . VAL A 1 144 ? 22.697 4.270 20.291 1.00 5.42 ? 144 VAL A C 1 ATOM 1099 O O . VAL A 1 144 ? 22.391 5.276 19.658 1.00 5.16 ? 144 VAL A O 1 ATOM 1100 C CB . VAL A 1 144 ? 21.503 2.142 19.859 1.00 5.64 ? 144 VAL A CB 1 ATOM 1101 C CG1 . VAL A 1 144 ? 20.793 1.015 20.555 1.00 5.58 ? 144 VAL A CG1 1 ATOM 1102 C CG2 . VAL A 1 144 ? 20.776 2.566 18.591 1.00 6.21 ? 144 VAL A CG2 1 ATOM 1103 N N . THR A 1 145 ? 23.955 3.925 20.489 1.00 5.79 ? 145 THR A N 1 ATOM 1104 C CA . THR A 1 145 ? 25.047 4.771 20.051 1.00 6.84 ? 145 THR A CA 1 ATOM 1105 C C . THR A 1 145 ? 25.439 4.451 18.587 1.00 7.59 ? 145 THR A C 1 ATOM 1106 O O . THR A 1 145 ? 26.521 3.902 18.296 1.00 7.46 ? 145 THR A O 1 ATOM 1107 C CB . THR A 1 145 ? 26.285 4.663 21.002 1.00 7.30 ? 145 THR A CB 1 ATOM 1108 O OG1 . THR A 1 145 ? 25.863 4.970 22.338 1.00 6.83 ? 145 THR A OG1 1 ATOM 1109 C CG2 . THR A 1 145 ? 27.354 5.653 20.574 1.00 7.78 ? 145 THR A CG2 1 ATOM 1110 N N . MET A 1 146 ? 24.513 4.810 17.688 1.00 8.59 ? 146 MET A N 1 ATOM 1111 C CA . MET A 1 146 ? 24.648 4.645 16.230 1.00 9.30 ? 146 MET A CA 1 ATOM 1112 C C . MET A 1 146 ? 25.274 5.918 15.695 1.00 9.95 ? 146 MET A C 1 ATOM 1113 O O . MET A 1 146 ? 25.138 6.951 16.328 1.00 10.85 ? 146 MET A O 1 ATOM 1114 C CB . MET A 1 146 ? 23.218 4.526 15.588 1.00 9.31 ? 146 MET A CB 1 ATOM 1115 C CG . MET A 1 146 ? 22.664 3.139 15.650 1.00 10.73 ? 146 MET A CG 1 ATOM 1116 S SD . MET A 1 146 ? 20.912 3.003 15.392 1.00 11.46 ? 146 MET A SD 1 ATOM 1117 C CE . MET A 1 146 ? 20.840 3.572 13.690 1.00 11.95 ? 146 MET A CE 1 ATOM 1118 N N . ASP A 1 147 ? 25.907 5.868 14.512 1.00 11.55 ? 147 ASP A N 1 ATOM 1119 C CA . ASP A 1 147 ? 26.379 7.067 13.812 1.00 11.86 ? 147 ASP A CA 1 ATOM 1120 C C . ASP A 1 147 ? 25.179 7.848 13.237 1.00 10.77 ? 147 ASP A C 1 ATOM 1121 O O . ASP A 1 147 ? 24.327 7.257 12.601 1.00 9.33 ? 147 ASP A O 1 ATOM 1122 C CB . ASP A 1 147 ? 27.273 6.773 12.602 1.00 16.24 ? 147 ASP A CB 1 ATOM 1123 C CG . ASP A 1 147 ? 28.709 6.339 12.960 1.00 22.62 ? 147 ASP A CG 1 ATOM 1124 O OD1 . ASP A 1 147 ? 29.345 6.940 13.869 1.00 25.64 ? 147 ASP A OD1 1 ATOM 1125 O OD2 . ASP A 1 147 ? 29.191 5.396 12.255 1.00 30.85 ? 147 ASP A OD2 1 ATOM 1126 N N . ALA A 1 148 ? 25.150 9.159 13.401 1.00 9.16 ? 148 ALA A N 1 ATOM 1127 C CA . ALA A 1 148 ? 24.076 9.991 12.835 1.00 8.77 ? 148 ALA A CA 1 ATOM 1128 C C . ALA A 1 148 ? 23.835 9.746 11.337 1.00 8.20 ? 148 ALA A C 1 ATOM 1129 O O . ALA A 1 148 ? 22.688 9.734 10.898 1.00 8.24 ? 148 ALA A O 1 ATOM 1130 C CB . ALA A 1 148 ? 24.377 11.458 13.080 1.00 9.23 ? 148 ALA A CB 1 ATOM 1131 N N . ASP A 1 149 ? 24.909 9.562 10.533 1.00 7.54 ? 149 ASP A N 1 ATOM 1132 C CA . ASP A 1 149 ? 24.749 9.361 9.086 1.00 7.43 ? 149 ASP A CA 1 ATOM 1133 C C . ASP A 1 149 ? 24.572 7.924 8.657 1.00 7.66 ? 149 ASP A C 1 ATOM 1134 O O . ASP A 1 149 ? 24.485 7.640 7.467 1.00 7.25 ? 149 ASP A O 1 ATOM 1135 C CB . ASP A 1 149 ? 25.865 10.002 8.298 1.00 8.25 ? 149 ASP A CB 1 ATOM 1136 C CG . ASP A 1 149 ? 27.162 9.264 8.397 1.00 8.76 ? 149 ASP A CG 1 ATOM 1137 O OD1 . ASP A 1 149 ? 27.254 8.255 9.124 1.00 8.61 ? 149 ASP A OD1 1 ATOM 1138 O OD2 . ASP A 1 149 ? 28.111 9.712 7.688 1.00 10.01 ? 149 ASP A OD2 1 ATOM 1139 N N . GLY A 1 150 ? 24.449 7.031 9.636 1.00 7.26 ? 150 GLY A N 1 ATOM 1140 C CA . GLY A 1 150 ? 24.234 5.591 9.382 1.00 8.14 ? 150 GLY A CA 1 ATOM 1141 C C . GLY A 1 150 ? 25.454 4.856 8.850 1.00 8.53 ? 150 GLY A C 1 ATOM 1142 O O . GLY A 1 150 ? 25.337 3.720 8.429 1.00 8.90 ? 150 GLY A O 1 ATOM 1143 N N . GLY A 1 151 ? 26.622 5.502 8.873 1.00 8.50 ? 151 GLY A N 1 ATOM 1144 C CA . GLY A 1 151 ? 27.894 4.898 8.428 1.00 9.22 ? 151 GLY A CA 1 ATOM 1145 C C . GLY A 1 151 ? 28.466 5.391 7.108 1.00 9.06 ? 151 GLY A C 1 ATOM 1146 O O . GLY A 1 151 ? 29.467 4.858 6.636 1.00 10.10 ? 151 GLY A O 1 ATOM 1147 N N . VAL A 1 152 ? 27.754 6.271 6.432 1.00 8.98 ? 152 VAL A N 1 ATOM 1148 C CA . VAL A 1 152 ? 28.121 6.689 5.081 1.00 9.83 ? 152 VAL A CA 1 ATOM 1149 C C . VAL A 1 152 ? 29.526 7.321 5.069 1.00 10.63 ? 152 VAL A C 1 ATOM 1150 O O . VAL A 1 152 ? 30.319 6.974 4.204 1.00 11.57 ? 152 VAL A O 1 ATOM 1151 C CB . VAL A 1 152 ? 27.142 7.730 4.500 1.00 9.90 ? 152 VAL A CB 1 ATOM 1152 C CG1 . VAL A 1 152 ? 27.675 8.268 3.162 1.00 10.67 ? 152 VAL A CG1 1 ATOM 1153 C CG2 . VAL A 1 152 ? 25.773 7.121 4.313 1.00 9.71 ? 152 VAL A CG2 1 ATOM 1154 N N . SER A 1 153 ? 29.843 8.179 6.021 1.00 10.90 ? 153 SER A N 1 ATOM 1155 C CA . SER A 1 153 ? 31.162 8.821 5.956 1.00 12.75 ? 153 SER A CA 1 ATOM 1156 C C . SER A 1 153 ? 32.311 7.865 6.272 1.00 12.60 ? 153 SER A C 1 ATOM 1157 O O . SER A 1 153 ? 33.417 8.004 5.739 1.00 15.26 ? 153 SER A O 1 ATOM 1158 C CB . SER A 1 153 ? 31.227 10.099 6.790 1.00 14.04 ? 153 SER A CB 1 ATOM 1159 O OG . SER A 1 153 ? 31.357 9.822 8.149 1.00 16.07 ? 153 SER A OG 1 ATOM 1160 N N . LYS A 1 154 ? 32.079 6.894 7.120 1.00 12.18 ? 154 LYS A N 1 ATOM 1161 C CA . LYS A 1 154 ? 33.114 5.960 7.489 1.00 13.08 ? 154 LYS A CA 1 ATOM 1162 C C . LYS A 1 154 ? 33.314 4.759 6.564 1.00 13.25 ? 154 LYS A C 1 ATOM 1163 O O . LYS A 1 154 ? 34.420 4.252 6.523 1.00 13.71 ? 154 LYS A O 1 ATOM 1164 C CB . LYS A 1 154 ? 32.852 5.405 8.860 1.00 15.33 ? 154 LYS A CB 1 ATOM 1165 C CG . LYS A 1 154 ? 33.030 6.452 9.902 1.00 19.77 ? 154 LYS A CG 1 ATOM 1166 C CD . LYS A 1 154 ? 32.845 5.940 11.319 1.00 25.80 ? 154 LYS A CD 1 ATOM 1167 C CE . LYS A 1 154 ? 32.982 7.149 12.261 1.00 31.42 ? 154 LYS A CE 1 ATOM 1168 N NZ . LYS A 1 154 ? 32.902 6.769 13.702 1.00 37.78 ? 154 LYS A NZ 1 ATOM 1169 N N . TYR A 1 155 ? 32.246 4.231 5.967 1.00 12.27 ? 155 TYR A N 1 ATOM 1170 C CA . TYR A 1 155 ? 32.268 2.969 5.199 1.00 12.90 ? 155 TYR A CA 1 ATOM 1171 C C . TYR A 1 155 ? 31.885 3.293 3.756 1.00 13.39 ? 155 TYR A C 1 ATOM 1172 O O . TYR A 1 155 ? 30.744 3.542 3.448 1.00 13.15 ? 155 TYR A O 1 ATOM 1173 C CB . TYR A 1 155 ? 31.330 1.927 5.852 1.00 12.99 ? 155 TYR A CB 1 ATOM 1174 C CG . TYR A 1 155 ? 31.638 1.805 7.355 1.00 13.42 ? 155 TYR A CG 1 ATOM 1175 C CD1 . TYR A 1 155 ? 32.860 1.322 7.824 1.00 14.25 ? 155 TYR A CD1 1 ATOM 1176 C CD2 . TYR A 1 155 ? 30.717 2.272 8.286 1.00 13.97 ? 155 TYR A CD2 1 ATOM 1177 C CE1 . TYR A 1 155 ? 33.117 1.300 9.190 1.00 16.09 ? 155 TYR A CE1 1 ATOM 1178 C CE2 . TYR A 1 155 ? 30.947 2.240 9.624 1.00 15.66 ? 155 TYR A CE2 1 ATOM 1179 C CZ . TYR A 1 155 ? 32.158 1.761 10.073 1.00 16.91 ? 155 TYR A CZ 1 ATOM 1180 O OH . TYR A 1 155 ? 32.315 1.771 11.433 1.00 20.53 ? 155 TYR A OH 1 ATOM 1181 N N . PRO A 1 156 ? 32.859 3.322 2.860 1.00 16.19 ? 156 PRO A N 1 ATOM 1182 C CA . PRO A 1 156 ? 32.677 3.680 1.455 1.00 14.80 ? 156 PRO A CA 1 ATOM 1183 C C . PRO A 1 156 ? 31.541 2.949 0.704 1.00 14.07 ? 156 PRO A C 1 ATOM 1184 O O . PRO A 1 156 ? 30.852 3.597 -0.082 1.00 15.89 ? 156 PRO A O 1 ATOM 1185 C CB . PRO A 1 156 ? 34.071 3.339 0.846 1.00 17.16 ? 156 PRO A CB 1 ATOM 1186 C CG . PRO A 1 156 ? 35.013 3.674 1.962 1.00 18.43 ? 156 PRO A CG 1 ATOM 1187 C CD . PRO A 1 156 ? 34.285 3.006 3.139 1.00 17.96 ? 156 PRO A CD 1 ATOM 1188 N N A ASN A 1 157 ? 31.375 1.651 0.956 0.61 13.25 ? 157 ASN A N 1 ATOM 1189 N N B ASN A 1 157 ? 31.318 1.653 0.890 0.39 13.31 ? 157 ASN A N 1 ATOM 1190 C CA A ASN A 1 157 ? 30.332 0.826 0.291 0.61 12.27 ? 157 ASN A CA 1 ATOM 1191 C CA B ASN A 1 157 ? 30.204 1.008 0.141 0.39 12.45 ? 157 ASN A CA 1 ATOM 1192 C C A ASN A 1 157 ? 28.893 1.184 0.721 0.61 11.49 ? 157 ASN A C 1 ATOM 1193 C C B ASN A 1 157 ? 28.841 1.171 0.745 0.39 11.51 ? 157 ASN A C 1 ATOM 1194 O O A ASN A 1 157 ? 27.919 0.678 0.134 0.61 10.85 ? 157 ASN A O 1 ATOM 1195 O O B ASN A 1 157 ? 27.882 0.504 0.314 0.39 10.96 ? 157 ASN A O 1 ATOM 1196 C CB A ASN A 1 157 ? 30.539 -0.677 0.573 0.61 13.09 ? 157 ASN A CB 1 ATOM 1197 C CB B ASN A 1 157 ? 30.419 -0.461 -0.053 0.39 12.91 ? 157 ASN A CB 1 ATOM 1198 C CG A ASN A 1 157 ? 31.928 -1.210 0.179 0.61 12.82 ? 157 ASN A CG 1 ATOM 1199 C CG B ASN A 1 157 ? 31.470 -0.740 -1.069 0.39 13.09 ? 157 ASN A CG 1 ATOM 1200 O OD1 A ASN A 1 157 ? 32.663 -0.590 -0.642 0.61 12.68 ? 157 ASN A OD1 1 ATOM 1201 O OD1 B ASN A 1 157 ? 31.558 -0.055 -2.100 0.39 12.69 ? 157 ASN A OD1 1 ATOM 1202 N ND2 A ASN A 1 157 ? 32.289 -2.378 0.763 0.61 12.37 ? 157 ASN A ND2 1 ATOM 1203 N ND2 B ASN A 1 157 ? 32.295 -1.734 -0.780 0.39 13.40 ? 157 ASN A ND2 1 ATOM 1204 N N . ASN A 1 158 ? 28.773 1.993 1.784 1.00 10.33 ? 158 ASN A N 1 ATOM 1205 C CA . ASN A 1 158 ? 27.521 2.390 2.357 1.00 9.69 ? 158 ASN A CA 1 ATOM 1206 C C . ASN A 1 158 ? 27.052 3.720 1.770 1.00 9.25 ? 158 ASN A C 1 ATOM 1207 O O . ASN A 1 158 ? 27.571 4.748 2.182 1.00 10.17 ? 158 ASN A O 1 ATOM 1208 C CB . ASN A 1 158 ? 27.672 2.466 3.880 1.00 9.30 ? 158 ASN A CB 1 ATOM 1209 C CG . ASN A 1 158 ? 26.347 2.764 4.581 1.00 9.13 ? 158 ASN A CG 1 ATOM 1210 O OD1 . ASN A 1 158 ? 25.343 2.931 3.941 1.00 8.99 ? 158 ASN A OD1 1 ATOM 1211 N ND2 . ASN A 1 158 ? 26.389 2.884 5.881 1.00 8.61 ? 158 ASN A ND2 1 ATOM 1212 N N . LYS A 1 159 ? 26.164 3.689 0.765 1.00 9.05 ? 159 LYS A N 1 ATOM 1213 C CA . LYS A 1 159 ? 25.540 4.914 0.239 1.00 9.66 ? 159 LYS A CA 1 ATOM 1214 C C . LYS A 1 159 ? 24.165 5.163 0.872 1.00 8.95 ? 159 LYS A C 1 ATOM 1215 O O . LYS A 1 159 ? 23.761 6.367 1.063 1.00 8.54 ? 159 LYS A O 1 ATOM 1216 C CB . LYS A 1 159 ? 25.457 4.868 -1.314 1.00 11.57 ? 159 LYS A CB 1 ATOM 1217 C CG . LYS A 1 159 ? 26.816 4.883 -2.060 1.00 14.94 ? 159 LYS A CG 1 ATOM 1218 C CD . LYS A 1 159 ? 27.776 5.932 -1.515 1.00 19.86 ? 159 LYS A CD 1 ATOM 1219 C CE . LYS A 1 159 ? 28.969 6.206 -2.445 1.00 23.42 ? 159 LYS A CE 1 ATOM 1220 N NZ . LYS A 1 159 ? 29.718 4.979 -2.848 1.00 25.55 ? 159 LYS A NZ 1 ATOM 1221 N N . ALA A 1 160 ? 23.470 4.082 1.225 1.00 7.90 ? 160 ALA A N 1 ATOM 1222 C CA . ALA A 1 160 ? 22.057 4.128 1.575 1.00 7.84 ? 160 ALA A CA 1 ATOM 1223 C C . ALA A 1 160 ? 21.903 4.784 2.944 1.00 7.41 ? 160 ALA A C 1 ATOM 1224 O O . ALA A 1 160 ? 21.034 5.652 3.117 1.00 7.27 ? 160 ALA A O 1 ATOM 1225 C CB . ALA A 1 160 ? 21.406 2.759 1.525 1.00 8.29 ? 160 ALA A CB 1 ATOM 1226 N N . GLY A 1 161 ? 22.801 4.466 3.861 1.00 6.62 ? 161 GLY A N 1 ATOM 1227 C CA . GLY A 1 161 ? 22.956 5.182 5.164 1.00 6.86 ? 161 GLY A CA 1 ATOM 1228 C C . GLY A 1 161 ? 21.673 5.390 5.973 1.00 6.75 ? 161 GLY A C 1 ATOM 1229 O O . GLY A 1 161 ? 20.756 4.557 5.942 1.00 6.81 ? 161 GLY A O 1 ATOM 1230 N N . ALA A 1 162 ? 21.608 6.479 6.710 1.00 6.29 ? 162 ALA A N 1 ATOM 1231 C CA . ALA A 1 162 ? 20.443 6.687 7.621 1.00 6.33 ? 162 ALA A CA 1 ATOM 1232 C C . ALA A 1 162 ? 19.129 6.774 6.846 1.00 6.66 ? 162 ALA A C 1 ATOM 1233 O O . ALA A 1 162 ? 18.025 6.439 7.353 1.00 6.41 ? 162 ALA A O 1 ATOM 1234 C CB . ALA A 1 162 ? 20.684 7.936 8.464 1.00 6.41 ? 162 ALA A CB 1 ATOM 1235 N N . GLN A 1 163 ? 19.212 7.305 5.634 1.00 6.62 ? 163 GLN A N 1 ATOM 1236 C CA . GLN A 1 163 ? 18.001 7.506 4.850 1.00 6.69 ? 163 GLN A CA 1 ATOM 1237 C C . GLN A 1 163 ? 17.200 6.169 4.677 1.00 5.88 ? 163 GLN A C 1 ATOM 1238 O O . GLN A 1 163 ? 15.962 6.158 4.713 1.00 5.83 ? 163 GLN A O 1 ATOM 1239 C CB . GLN A 1 163 ? 18.396 8.040 3.488 1.00 7.50 ? 163 GLN A CB 1 ATOM 1240 C CG . GLN A 1 163 ? 17.208 8.294 2.579 1.00 8.08 ? 163 GLN A CG 1 ATOM 1241 C CD . GLN A 1 163 ? 17.599 9.046 1.297 1.00 9.21 ? 163 GLN A CD 1 ATOM 1242 O OE1 . GLN A 1 163 ? 18.742 8.949 0.799 1.00 9.80 ? 163 GLN A OE1 1 ATOM 1243 N NE2 . GLN A 1 163 ? 16.653 9.872 0.808 1.00 9.27 ? 163 GLN A NE2 1 ATOM 1244 N N . TYR A 1 164 ? 17.935 5.047 4.599 1.00 5.55 ? 164 TYR A N 1 ATOM 1245 C CA . TYR A 1 164 ? 17.333 3.719 4.462 1.00 5.06 ? 164 TYR A CA 1 ATOM 1246 C C . TYR A 1 164 ? 17.469 2.837 5.685 1.00 4.70 ? 164 TYR A C 1 ATOM 1247 O O . TYR A 1 164 ? 17.312 1.572 5.591 1.00 4.38 ? 164 TYR A O 1 ATOM 1248 C CB . TYR A 1 164 ? 17.841 2.984 3.167 1.00 5.47 ? 164 TYR A CB 1 ATOM 1249 C CG . TYR A 1 164 ? 17.394 3.690 1.916 1.00 5.58 ? 164 TYR A CG 1 ATOM 1250 C CD1 . TYR A 1 164 ? 18.033 4.819 1.479 1.00 5.76 ? 164 TYR A CD1 1 ATOM 1251 C CD2 . TYR A 1 164 ? 16.305 3.240 1.203 1.00 5.81 ? 164 TYR A CD2 1 ATOM 1252 C CE1 . TYR A 1 164 ? 17.615 5.510 0.359 1.00 5.82 ? 164 TYR A CE1 1 ATOM 1253 C CE2 . TYR A 1 164 ? 15.852 3.914 0.109 1.00 5.57 ? 164 TYR A CE2 1 ATOM 1254 C CZ . TYR A 1 164 ? 16.497 5.029 -0.326 1.00 5.87 ? 164 TYR A CZ 1 ATOM 1255 O OH . TYR A 1 164 ? 15.972 5.664 -1.417 1.00 6.67 ? 164 TYR A OH 1 ATOM 1256 N N . GLY A 1 165 ? 17.675 3.483 6.834 1.00 4.49 ? 165 GLY A N 1 ATOM 1257 C CA . GLY A 1 165 ? 17.757 2.784 8.102 1.00 4.66 ? 165 GLY A CA 1 ATOM 1258 C C . GLY A 1 165 ? 18.911 1.820 8.262 1.00 4.84 ? 165 GLY A C 1 ATOM 1259 O O . GLY A 1 165 ? 18.775 0.777 8.909 1.00 4.90 ? 165 GLY A O 1 ATOM 1260 N N . VAL A 1 166 ? 20.030 2.192 7.662 1.00 5.14 ? 166 VAL A N 1 ATOM 1261 C CA . VAL A 1 166 ? 21.291 1.408 7.748 1.00 5.36 ? 166 VAL A CA 1 ATOM 1262 C C . VAL A 1 166 ? 22.031 1.845 9.011 1.00 5.54 ? 166 VAL A C 1 ATOM 1263 O O . VAL A 1 166 ? 21.971 3.005 9.454 1.00 5.46 ? 166 VAL A O 1 ATOM 1264 C CB . VAL A 1 166 ? 22.137 1.612 6.452 1.00 5.51 ? 166 VAL A CB 1 ATOM 1265 C CG1 . VAL A 1 166 ? 23.466 0.872 6.448 1.00 5.52 ? 166 VAL A CG1 1 ATOM 1266 C CG2 . VAL A 1 166 ? 21.353 1.158 5.235 1.00 5.66 ? 166 VAL A CG2 1 ATOM 1267 N N . GLY A 1 167 ? 22.803 0.929 9.577 1.00 5.71 ? 167 GLY A N 1 ATOM 1268 C CA . GLY A 1 167 ? 23.698 1.288 10.655 1.00 5.65 ? 167 GLY A CA 1 ATOM 1269 C C . GLY A 1 167 ? 23.309 0.909 12.082 1.00 5.67 ? 167 GLY A C 1 ATOM 1270 O O . GLY A 1 167 ? 23.980 1.384 13.033 1.00 6.21 ? 167 GLY A O 1 ATOM 1271 N N . TYR A 1 168 ? 22.278 0.096 12.241 1.00 5.54 ? 168 TYR A N 1 ATOM 1272 C CA . TYR A 1 168 ? 21.843 -0.336 13.561 1.00 5.74 ? 168 TYR A CA 1 ATOM 1273 C C . TYR A 1 168 ? 22.977 -1.054 14.260 1.00 6.08 ? 168 TYR A C 1 ATOM 1274 O O . TYR A 1 168 ? 23.699 -1.808 13.622 1.00 6.30 ? 168 TYR A O 1 ATOM 1275 C CB . TYR A 1 168 ? 20.600 -1.187 13.524 1.00 5.32 ? 168 TYR A CB 1 ATOM 1276 C CG . TYR A 1 168 ? 20.066 -1.530 14.875 1.00 5.03 ? 168 TYR A CG 1 ATOM 1277 C CD1 . TYR A 1 168 ? 19.517 -0.566 15.677 1.00 4.93 ? 168 TYR A CD1 1 ATOM 1278 C CD2 . TYR A 1 168 ? 20.093 -2.847 15.337 1.00 5.03 ? 168 TYR A CD2 1 ATOM 1279 C CE1 . TYR A 1 168 ? 19.046 -0.864 16.925 1.00 5.26 ? 168 TYR A CE1 1 ATOM 1280 C CE2 . TYR A 1 168 ? 19.589 -3.186 16.587 1.00 5.04 ? 168 TYR A CE2 1 ATOM 1281 C CZ . TYR A 1 168 ? 19.056 -2.173 17.378 1.00 5.32 ? 168 TYR A CZ 1 ATOM 1282 O OH . TYR A 1 168 ? 18.559 -2.432 18.624 1.00 5.52 ? 168 TYR A OH 1 ATOM 1283 N N . CYS A 1 169 ? 23.049 -0.837 15.587 1.00 6.46 ? 169 CYS A N 1 ATOM 1284 C CA . CYS A 1 169 ? 23.912 -1.578 16.486 1.00 7.15 ? 169 CYS A CA 1 ATOM 1285 C C . CYS A 1 169 ? 23.209 -1.564 17.821 1.00 6.74 ? 169 CYS A C 1 ATOM 1286 O O . CYS A 1 169 ? 22.408 -0.654 18.081 1.00 7.08 ? 169 CYS A O 1 ATOM 1287 C CB . CYS A 1 169 ? 25.354 -0.976 16.484 1.00 8.25 ? 169 CYS A CB 1 ATOM 1288 S SG . CYS A 1 169 ? 25.394 0.729 17.026 1.00 10.59 ? 169 CYS A SG 1 ATOM 1289 N N . ASP A 1 170 ? 23.479 -2.527 18.663 1.00 6.57 ? 170 ASP A N 1 ATOM 1290 C CA . ASP A 1 170 ? 23.026 -2.500 20.037 1.00 6.13 ? 170 ASP A CA 1 ATOM 1291 C C . ASP A 1 170 ? 23.794 -3.478 20.939 1.00 6.49 ? 170 ASP A C 1 ATOM 1292 O O . ASP A 1 170 ? 24.750 -4.088 20.486 1.00 6.01 ? 170 ASP A O 1 ATOM 1293 C CB . ASP A 1 170 ? 21.489 -2.717 20.116 1.00 6.32 ? 170 ASP A CB 1 ATOM 1294 C CG . ASP A 1 170 ? 21.050 -4.140 19.909 1.00 7.01 ? 170 ASP A CG 1 ATOM 1295 O OD1 . ASP A 1 170 ? 21.833 -5.087 20.031 1.00 6.60 ? 170 ASP A OD1 1 ATOM 1296 O OD2 . ASP A 1 170 ? 19.771 -4.317 19.663 1.00 7.67 ? 170 ASP A OD2 1 ATOM 1297 N N . SER A 1 171 ? 23.350 -3.614 22.203 1.00 6.95 ? 171 SER A N 1 ATOM 1298 C CA . SER A 1 171 ? 24.142 -4.235 23.230 1.00 7.23 ? 171 SER A CA 1 ATOM 1299 C C . SER A 1 171 ? 24.063 -5.749 23.136 1.00 7.91 ? 171 SER A C 1 ATOM 1300 O O . SER A 1 171 ? 24.781 -6.437 23.896 1.00 8.51 ? 171 SER A O 1 ATOM 1301 C CB . SER A 1 171 ? 23.769 -3.746 24.625 1.00 7.29 ? 171 SER A CB 1 ATOM 1302 O OG . SER A 1 171 ? 22.408 -4.147 24.917 1.00 7.61 ? 171 SER A OG 1 ATOM 1303 N N . GLN A 1 172 ? 23.188 -6.274 22.234 1.00 8.64 ? 172 GLN A N 1 ATOM 1304 C CA . GLN A 1 172 ? 23.130 -7.674 21.953 1.00 9.05 ? 172 GLN A CA 1 ATOM 1305 C C . GLN A 1 172 ? 24.064 -8.067 20.761 1.00 9.34 ? 172 GLN A C 1 ATOM 1306 O O . GLN A 1 172 ? 24.001 -9.220 20.319 1.00 9.40 ? 172 GLN A O 1 ATOM 1307 C CB . GLN A 1 172 ? 21.667 -8.083 21.670 1.00 10.16 ? 172 GLN A CB 1 ATOM 1308 C CG . GLN A 1 172 ? 20.682 -7.740 22.807 1.00 11.04 ? 172 GLN A CG 1 ATOM 1309 C CD . GLN A 1 172 ? 21.044 -8.474 24.085 1.00 12.23 ? 172 GLN A CD 1 ATOM 1310 O OE1 . GLN A 1 172 ? 21.725 -9.516 24.029 1.00 13.15 ? 172 GLN A OE1 1 ATOM 1311 N NE2 . GLN A 1 172 ? 20.628 -7.935 25.251 1.00 14.50 ? 172 GLN A NE2 1 ATOM 1312 N N . CYS A 1 173 ? 24.796 -7.109 20.174 1.00 8.91 ? 173 CYS A N 1 ATOM 1313 C CA . CYS A 1 173 ? 25.774 -7.374 19.092 1.00 9.98 ? 173 CYS A CA 1 ATOM 1314 C C . CYS A 1 173 ? 25.081 -8.192 17.959 1.00 9.58 ? 173 CYS A C 1 ATOM 1315 O O . CYS A 1 173 ? 25.469 -9.322 17.641 1.00 9.94 ? 173 CYS A O 1 ATOM 1316 C CB . CYS A 1 173 ? 26.944 -8.151 19.717 1.00 10.72 ? 173 CYS A CB 1 ATOM 1317 S SG . CYS A 1 173 ? 27.933 -7.097 20.798 1.00 13.34 ? 173 CYS A SG 1 ATOM 1318 N N . PRO A 1 174 ? 23.974 -7.665 17.419 1.00 9.15 ? 174 PRO A N 1 ATOM 1319 C CA . PRO A 1 174 ? 23.147 -8.511 16.549 1.00 9.11 ? 174 PRO A CA 1 ATOM 1320 C C . PRO A 1 174 ? 23.897 -8.982 15.260 1.00 8.46 ? 174 PRO A C 1 ATOM 1321 O O . PRO A 1 174 ? 24.544 -8.167 14.570 1.00 9.42 ? 174 PRO A O 1 ATOM 1322 C CB . PRO A 1 174 ? 21.930 -7.641 16.247 1.00 9.71 ? 174 PRO A CB 1 ATOM 1323 C CG . PRO A 1 174 ? 22.320 -6.299 16.631 1.00 10.33 ? 174 PRO A CG 1 ATOM 1324 C CD . PRO A 1 174 ? 23.285 -6.417 17.751 1.00 10.05 ? 174 PRO A CD 1 ATOM 1325 N N . ARG A 1 175 ? 23.793 -10.274 14.992 1.00 7.58 ? 175 ARG A N 1 ATOM 1326 C CA . ARG A 1 175 ? 24.404 -10.914 13.834 1.00 7.82 ? 175 ARG A CA 1 ATOM 1327 C C . ARG A 1 175 ? 23.375 -11.215 12.778 1.00 7.54 ? 175 ARG A C 1 ATOM 1328 O O . ARG A 1 175 ? 23.685 -11.758 11.706 1.00 7.01 ? 175 ARG A O 1 ATOM 1329 C CB . ARG A 1 175 ? 25.075 -12.226 14.265 1.00 8.44 ? 175 ARG A CB 1 ATOM 1330 C CG . ARG A 1 175 ? 26.205 -12.041 15.218 1.00 9.33 ? 175 ARG A CG 1 ATOM 1331 C CD . ARG A 1 175 ? 26.678 -13.329 15.838 1.00 9.69 ? 175 ARG A CD 1 ATOM 1332 N NE . ARG A 1 175 ? 26.911 -14.343 14.840 1.00 10.06 ? 175 ARG A NE 1 ATOM 1333 C CZ . ARG A 1 175 ? 27.234 -15.588 15.160 1.00 11.87 ? 175 ARG A CZ 1 ATOM 1334 N NH1 . ARG A 1 175 ? 27.405 -15.918 16.423 1.00 12.75 ? 175 ARG A NH1 1 ATOM 1335 N NH2 . ARG A 1 175 ? 27.472 -16.455 14.205 1.00 12.15 ? 175 ARG A NH2 1 ATOM 1336 N N . ASP A 1 176 ? 22.121 -10.889 13.080 1.00 7.67 ? 176 ASP A N 1 ATOM 1337 C CA . ASP A 1 176 ? 21.019 -11.013 12.128 1.00 7.94 ? 176 ASP A CA 1 ATOM 1338 C C . ASP A 1 176 ? 20.922 -9.875 11.079 1.00 8.21 ? 176 ASP A C 1 ATOM 1339 O O . ASP A 1 176 ? 20.099 -9.966 10.170 1.00 7.39 ? 176 ASP A O 1 ATOM 1340 C CB . ASP A 1 176 ? 19.675 -11.099 12.876 1.00 8.66 ? 176 ASP A CB 1 ATOM 1341 C CG . ASP A 1 176 ? 19.231 -9.743 13.469 1.00 10.37 ? 176 ASP A CG 1 ATOM 1342 O OD1 . ASP A 1 176 ? 20.006 -9.204 14.309 1.00 12.25 ? 176 ASP A OD1 1 ATOM 1343 O OD2 . ASP A 1 176 ? 18.132 -9.194 13.049 1.00 11.31 ? 176 ASP A OD2 1 ATOM 1344 N N . LEU A 1 177 ? 21.708 -8.811 11.276 1.00 7.53 ? 177 LEU A N 1 ATOM 1345 C CA . LEU A 1 177 ? 21.702 -7.657 10.360 1.00 7.27 ? 177 LEU A CA 1 ATOM 1346 C C . LEU A 1 177 ? 22.285 -7.995 9.035 1.00 6.82 ? 177 LEU A C 1 ATOM 1347 O O . LEU A 1 177 ? 23.362 -8.638 8.956 1.00 6.72 ? 177 LEU A O 1 ATOM 1348 C CB . LEU A 1 177 ? 22.490 -6.554 10.989 1.00 7.41 ? 177 LEU A CB 1 ATOM 1349 C CG . LEU A 1 177 ? 21.909 -5.998 12.294 1.00 8.18 ? 177 LEU A CG 1 ATOM 1350 C CD1 . LEU A 1 177 ? 22.749 -4.868 12.867 1.00 8.65 ? 177 LEU A CD1 1 ATOM 1351 C CD2 . LEU A 1 177 ? 20.503 -5.510 12.032 1.00 9.29 ? 177 LEU A CD2 1 ATOM 1352 N N A LYS A 1 178 ? 21.612 -7.571 7.973 0.61 6.71 ? 178 LYS A N 1 ATOM 1353 N N B LYS A 1 178 ? 21.642 -7.557 7.961 0.39 6.80 ? 178 LYS A N 1 ATOM 1354 C CA A LYS A 1 178 ? 22.102 -7.802 6.603 0.61 7.15 ? 178 LYS A CA 1 ATOM 1355 C CA B LYS A 1 178 ? 22.158 -7.807 6.606 0.39 7.08 ? 178 LYS A CA 1 ATOM 1356 C C A LYS A 1 178 ? 23.342 -6.991 6.226 0.61 6.91 ? 178 LYS A C 1 ATOM 1357 C C B LYS A 1 178 ? 23.378 -6.990 6.239 0.39 6.96 ? 178 LYS A C 1 ATOM 1358 O O A LYS A 1 178 ? 24.232 -7.481 5.539 0.61 6.54 ? 178 LYS A O 1 ATOM 1359 O O B LYS A 1 178 ? 24.275 -7.469 5.553 0.39 6.71 ? 178 LYS A O 1 ATOM 1360 C CB A LYS A 1 178 ? 20.954 -7.553 5.627 0.61 7.30 ? 178 LYS A CB 1 ATOM 1361 C CB B LYS A 1 178 ? 21.048 -7.533 5.617 0.39 7.18 ? 178 LYS A CB 1 ATOM 1362 C CG A LYS A 1 178 ? 19.934 -8.695 5.540 0.61 7.72 ? 178 LYS A CG 1 ATOM 1363 C CG B LYS A 1 178 ? 19.914 -8.524 5.744 0.39 7.42 ? 178 LYS A CG 1 ATOM 1364 C CD A LYS A 1 178 ? 19.063 -8.458 4.308 0.61 7.97 ? 178 LYS A CD 1 ATOM 1365 C CD B LYS A 1 178 ? 18.645 -7.862 5.260 0.39 7.48 ? 178 LYS A CD 1 ATOM 1366 C CE A LYS A 1 178 ? 17.792 -9.270 4.327 0.61 7.71 ? 178 LYS A CE 1 ATOM 1367 C CE B LYS A 1 178 ? 17.457 -8.622 5.706 0.39 7.49 ? 178 LYS A CE 1 ATOM 1368 N NZ A LYS A 1 178 ? 16.679 -8.621 5.045 0.61 7.50 ? 178 LYS A NZ 1 ATOM 1369 N NZ B LYS A 1 178 ? 16.347 -8.629 4.735 0.39 7.48 ? 178 LYS A NZ 1 ATOM 1370 N N . PHE A 1 179 ? 23.398 -5.744 6.709 1.00 7.03 ? 179 PHE A N 1 ATOM 1371 C CA . PHE A 1 179 ? 24.504 -4.817 6.481 1.00 7.25 ? 179 PHE A CA 1 ATOM 1372 C C . PHE A 1 179 ? 25.064 -4.235 7.803 1.00 6.93 ? 179 PHE A C 1 ATOM 1373 O O . PHE A 1 179 ? 24.312 -3.751 8.645 1.00 5.88 ? 179 PHE A O 1 ATOM 1374 C CB . PHE A 1 179 ? 24.033 -3.686 5.551 1.00 7.32 ? 179 PHE A CB 1 ATOM 1375 C CG . PHE A 1 179 ? 23.647 -4.175 4.189 1.00 7.75 ? 179 PHE A CG 1 ATOM 1376 C CD1 . PHE A 1 179 ? 24.573 -4.428 3.213 1.00 8.28 ? 179 PHE A CD1 1 ATOM 1377 C CD2 . PHE A 1 179 ? 22.323 -4.510 3.940 1.00 7.85 ? 179 PHE A CD2 1 ATOM 1378 C CE1 . PHE A 1 179 ? 24.204 -4.923 1.962 1.00 8.27 ? 179 PHE A CE1 1 ATOM 1379 C CE2 . PHE A 1 179 ? 21.948 -5.009 2.704 1.00 8.68 ? 179 PHE A CE2 1 ATOM 1380 C CZ . PHE A 1 179 ? 22.899 -5.236 1.730 1.00 8.69 ? 179 PHE A CZ 1 ATOM 1381 N N . ILE A 1 180 ? 26.394 -4.310 7.944 1.00 6.68 ? 180 ILE A N 1 ATOM 1382 C CA . ILE A 1 180 ? 27.149 -3.813 9.034 1.00 7.17 ? 180 ILE A CA 1 ATOM 1383 C C . ILE A 1 180 ? 28.456 -3.212 8.513 1.00 7.14 ? 180 ILE A C 1 ATOM 1384 O O . ILE A 1 180 ? 29.234 -3.894 7.819 1.00 7.64 ? 180 ILE A O 1 ATOM 1385 C CB . ILE A 1 180 ? 27.510 -4.946 10.010 1.00 7.24 ? 180 ILE A CB 1 ATOM 1386 C CG1 . ILE A 1 180 ? 26.245 -5.617 10.544 1.00 7.70 ? 180 ILE A CG1 1 ATOM 1387 C CG2 . ILE A 1 180 ? 28.414 -4.412 11.118 1.00 8.00 ? 180 ILE A CG2 1 ATOM 1388 C CD1 . ILE A 1 180 ? 26.520 -6.844 11.401 1.00 7.71 ? 180 ILE A CD1 1 ATOM 1389 N N . ALA A 1 181 ? 28.685 -1.950 8.841 1.00 7.63 ? 181 ALA A N 1 ATOM 1390 C CA . ALA A 1 181 ? 29.949 -1.273 8.553 1.00 8.46 ? 181 ALA A CA 1 ATOM 1391 C C . ALA A 1 181 ? 30.281 -1.350 7.044 1.00 8.80 ? 181 ALA A C 1 ATOM 1392 O O . ALA A 1 181 ? 31.434 -1.586 6.659 1.00 9.62 ? 181 ALA A O 1 ATOM 1393 C CB . ALA A 1 181 ? 31.077 -1.839 9.399 1.00 8.48 ? 181 ALA A CB 1 ATOM 1394 N N . GLY A 1 182 ? 29.272 -1.165 6.179 1.00 9.39 ? 182 GLY A N 1 ATOM 1395 C CA . GLY A 1 182 ? 29.507 -1.131 4.758 1.00 9.45 ? 182 GLY A CA 1 ATOM 1396 C C . GLY A 1 182 ? 29.846 -2.443 4.100 1.00 10.15 ? 182 GLY A C 1 ATOM 1397 O O . GLY A 1 182 ? 30.376 -2.482 2.978 1.00 11.06 ? 182 GLY A O 1 ATOM 1398 N N . GLN A 1 183 ? 29.545 -3.535 4.790 1.00 10.31 ? 183 GLN A N 1 ATOM 1399 C CA . GLN A 1 183 ? 29.719 -4.886 4.266 1.00 11.59 ? 183 GLN A CA 1 ATOM 1400 C C . GLN A 1 183 ? 28.404 -5.642 4.463 1.00 9.91 ? 183 GLN A C 1 ATOM 1401 O O . GLN A 1 183 ? 27.703 -5.457 5.508 1.00 9.98 ? 183 GLN A O 1 ATOM 1402 C CB . GLN A 1 183 ? 30.766 -5.601 5.102 1.00 14.34 ? 183 GLN A CB 1 ATOM 1403 C CG . GLN A 1 183 ? 32.093 -4.863 5.233 1.00 18.75 ? 183 GLN A CG 1 ATOM 1404 C CD . GLN A 1 183 ? 33.029 -5.150 4.067 1.00 25.27 ? 183 GLN A CD 1 ATOM 1405 O OE1 . GLN A 1 183 ? 33.032 -6.251 3.537 1.00 30.32 ? 183 GLN A OE1 1 ATOM 1406 N NE2 . GLN A 1 183 ? 33.833 -4.151 3.652 1.00 27.42 ? 183 GLN A NE2 1 ATOM 1407 N N . ALA A 1 184 ? 28.068 -6.509 3.497 1.00 8.31 ? 184 ALA A N 1 ATOM 1408 C CA . ALA A 1 184 ? 26.952 -7.392 3.702 1.00 8.12 ? 184 ALA A CA 1 ATOM 1409 C C . ALA A 1 184 ? 27.392 -8.538 4.621 1.00 9.02 ? 184 ALA A C 1 ATOM 1410 O O . ALA A 1 184 ? 28.579 -8.958 4.657 1.00 11.03 ? 184 ALA A O 1 ATOM 1411 C CB . ALA A 1 184 ? 26.428 -7.924 2.367 1.00 7.98 ? 184 ALA A CB 1 ATOM 1412 N N . ASN A 1 185 ? 26.468 -9.086 5.361 1.00 8.52 ? 185 ASN A N 1 ATOM 1413 C CA . ASN A 1 185 ? 26.753 -10.189 6.278 1.00 9.17 ? 185 ASN A CA 1 ATOM 1414 C C . ASN A 1 185 ? 26.569 -11.542 5.559 1.00 9.98 ? 185 ASN A C 1 ATOM 1415 O O . ASN A 1 185 ? 25.899 -12.410 6.046 1.00 11.17 ? 185 ASN A O 1 ATOM 1416 C CB . ASN A 1 185 ? 25.808 -10.076 7.455 1.00 9.05 ? 185 ASN A CB 1 ATOM 1417 C CG . ASN A 1 185 ? 26.435 -10.478 8.804 1.00 9.35 ? 185 ASN A CG 1 ATOM 1418 O OD1 . ASN A 1 185 ? 27.585 -10.952 8.907 1.00 9.32 ? 185 ASN A OD1 1 ATOM 1419 N ND2 . ASN A 1 185 ? 25.646 -10.273 9.861 1.00 8.91 ? 185 ASN A ND2 1 ATOM 1420 N N . VAL A 1 186 ? 27.239 -11.725 4.444 1.00 11.22 ? 186 VAL A N 1 ATOM 1421 C CA . VAL A 1 186 ? 27.012 -12.924 3.620 1.00 12.31 ? 186 VAL A CA 1 ATOM 1422 C C . VAL A 1 186 ? 27.795 -14.153 4.119 1.00 13.08 ? 186 VAL A C 1 ATOM 1423 O O . VAL A 1 186 ? 27.279 -15.256 4.121 1.00 11.32 ? 186 VAL A O 1 ATOM 1424 C CB . VAL A 1 186 ? 27.356 -12.646 2.146 1.00 13.88 ? 186 VAL A CB 1 ATOM 1425 C CG1 . VAL A 1 186 ? 26.950 -13.854 1.291 1.00 16.57 ? 186 VAL A CG1 1 ATOM 1426 C CG2 . VAL A 1 186 ? 26.615 -11.425 1.660 1.00 14.25 ? 186 VAL A CG2 1 ATOM 1427 N N A GLU A 1 187 ? 29.057 -13.959 4.457 0.66 13.52 ? 187 GLU A N 1 ATOM 1428 N N B GLU A 1 187 ? 29.058 -13.931 4.475 0.34 12.94 ? 187 GLU A N 1 ATOM 1429 C CA A GLU A 1 187 ? 29.902 -15.079 4.778 0.66 15.22 ? 187 GLU A CA 1 ATOM 1430 C CA B GLU A 1 187 ? 29.943 -14.987 4.935 0.34 13.60 ? 187 GLU A CA 1 ATOM 1431 C C A GLU A 1 187 ? 29.360 -15.732 6.060 0.66 14.31 ? 187 GLU A C 1 ATOM 1432 C C B GLU A 1 187 ? 29.315 -15.722 6.108 0.34 13.35 ? 187 GLU A C 1 ATOM 1433 O O A GLU A 1 187 ? 29.037 -15.070 7.057 0.66 15.92 ? 187 GLU A O 1 ATOM 1434 O O B GLU A 1 187 ? 28.911 -15.105 7.101 0.34 14.07 ? 187 GLU A O 1 ATOM 1435 C CB A GLU A 1 187 ? 31.344 -14.607 4.935 0.66 18.82 ? 187 GLU A CB 1 ATOM 1436 C CB B GLU A 1 187 ? 31.291 -14.393 5.372 0.34 14.76 ? 187 GLU A CB 1 ATOM 1437 C CG A GLU A 1 187 ? 32.374 -15.722 4.973 0.66 20.23 ? 187 GLU A CG 1 ATOM 1438 C CG B GLU A 1 187 ? 32.217 -14.035 4.218 0.34 15.05 ? 187 GLU A CG 1 ATOM 1439 C CD A GLU A 1 187 ? 32.767 -16.208 3.593 0.66 24.53 ? 187 GLU A CD 1 ATOM 1440 C CD B GLU A 1 187 ? 33.666 -13.826 4.625 0.34 15.77 ? 187 GLU A CD 1 ATOM 1441 O OE1 A GLU A 1 187 ? 32.457 -15.529 2.574 0.66 26.33 ? 187 GLU A OE1 1 ATOM 1442 O OE1 B GLU A 1 187 ? 34.341 -13.006 3.951 0.34 15.37 ? 187 GLU A OE1 1 ATOM 1443 O OE2 A GLU A 1 187 ? 33.433 -17.260 3.534 0.66 29.74 ? 187 GLU A OE2 1 ATOM 1444 O OE2 B GLU A 1 187 ? 34.145 -14.471 5.599 0.34 15.90 ? 187 GLU A OE2 1 ATOM 1445 N N . GLY A 1 188 ? 29.183 -17.035 5.986 1.00 13.34 ? 188 GLY A N 1 ATOM 1446 C CA . GLY A 1 188 ? 28.711 -17.800 7.111 1.00 12.30 ? 188 GLY A CA 1 ATOM 1447 C C . GLY A 1 188 ? 27.251 -17.699 7.358 1.00 11.24 ? 188 GLY A C 1 ATOM 1448 O O . GLY A 1 188 ? 26.791 -18.204 8.365 1.00 12.52 ? 188 GLY A O 1 ATOM 1449 N N . TRP A 1 189 ? 26.508 -17.020 6.483 1.00 10.21 ? 189 TRP A N 1 ATOM 1450 C CA . TRP A 1 189 ? 25.058 -16.836 6.736 1.00 9.69 ? 189 TRP A CA 1 ATOM 1451 C C . TRP A 1 189 ? 24.333 -18.185 6.961 1.00 11.33 ? 189 TRP A C 1 ATOM 1452 O O . TRP A 1 189 ? 24.449 -19.135 6.148 1.00 11.85 ? 189 TRP A O 1 ATOM 1453 C CB . TRP A 1 189 ? 24.423 -16.053 5.617 1.00 9.12 ? 189 TRP A CB 1 ATOM 1454 C CG . TRP A 1 189 ? 23.017 -15.642 5.904 1.00 8.53 ? 189 TRP A CG 1 ATOM 1455 C CD1 . TRP A 1 189 ? 21.862 -16.288 5.498 1.00 8.11 ? 189 TRP A CD1 1 ATOM 1456 C CD2 . TRP A 1 189 ? 22.597 -14.470 6.645 1.00 8.06 ? 189 TRP A CD2 1 ATOM 1457 N NE1 . TRP A 1 189 ? 20.748 -15.574 5.947 1.00 8.00 ? 189 TRP A NE1 1 ATOM 1458 C CE2 . TRP A 1 189 ? 21.170 -14.459 6.639 1.00 8.11 ? 189 TRP A CE2 1 ATOM 1459 C CE3 . TRP A 1 189 ? 23.276 -13.441 7.315 1.00 8.02 ? 189 TRP A CE3 1 ATOM 1460 C CZ2 . TRP A 1 189 ? 20.431 -13.432 7.254 1.00 8.09 ? 189 TRP A CZ2 1 ATOM 1461 C CZ3 . TRP A 1 189 ? 22.556 -12.449 7.945 1.00 8.17 ? 189 TRP A CZ3 1 ATOM 1462 C CH2 . TRP A 1 189 ? 21.150 -12.417 7.882 1.00 8.16 ? 189 TRP A CH2 1 ATOM 1463 N N . THR A 1 190 ? 23.643 -18.277 8.115 1.00 11.49 ? 190 THR A N 1 ATOM 1464 C CA . THR A 1 190 ? 22.882 -19.434 8.496 1.00 12.86 ? 190 THR A CA 1 ATOM 1465 C C . THR A 1 190 ? 21.412 -19.053 8.676 1.00 13.26 ? 190 THR A C 1 ATOM 1466 O O . THR A 1 190 ? 21.076 -18.366 9.594 1.00 11.23 ? 190 THR A O 1 ATOM 1467 C CB . THR A 1 190 ? 23.408 -19.990 9.816 1.00 13.31 ? 190 THR A CB 1 ATOM 1468 O OG1 . THR A 1 190 ? 24.846 -20.274 9.733 1.00 15.28 ? 190 THR A OG1 1 ATOM 1469 C CG2 . THR A 1 190 ? 22.602 -21.171 10.243 1.00 14.54 ? 190 THR A CG2 1 ATOM 1470 N N . PRO A 1 191 ? 20.547 -19.511 7.801 1.00 14.77 ? 191 PRO A N 1 ATOM 1471 C CA . PRO A 1 191 ? 19.117 -19.253 7.966 1.00 17.14 ? 191 PRO A CA 1 ATOM 1472 C C . PRO A 1 191 ? 18.616 -19.739 9.297 1.00 17.22 ? 191 PRO A C 1 ATOM 1473 O O . PRO A 1 191 ? 19.092 -20.733 9.809 1.00 16.36 ? 191 PRO A O 1 ATOM 1474 C CB . PRO A 1 191 ? 18.454 -20.055 6.814 1.00 17.62 ? 191 PRO A CB 1 ATOM 1475 C CG . PRO A 1 191 ? 19.552 -20.731 6.078 1.00 17.60 ? 191 PRO A CG 1 ATOM 1476 C CD . PRO A 1 191 ? 20.850 -20.138 6.504 1.00 18.02 ? 191 PRO A CD 1 ATOM 1477 N N A SER A 1 192 ? 17.674 -19.006 9.881 0.46 18.04 ? 192 SER A N 1 ATOM 1478 N N B SER A 1 192 ? 17.703 -19.002 9.915 0.54 18.18 ? 192 SER A N 1 ATOM 1479 C CA A SER A 1 192 ? 16.951 -19.496 11.047 0.46 19.98 ? 192 SER A CA 1 ATOM 1480 C CA B SER A 1 192 ? 17.030 -19.531 11.094 0.54 20.35 ? 192 SER A CA 1 ATOM 1481 C C A SER A 1 192 ? 16.023 -20.614 10.568 0.46 22.61 ? 192 SER A C 1 ATOM 1482 C C B SER A 1 192 ? 16.063 -20.615 10.580 0.54 22.73 ? 192 SER A C 1 ATOM 1483 O O A SER A 1 192 ? 15.300 -20.463 9.561 0.46 25.77 ? 192 SER A O 1 ATOM 1484 O O B SER A 1 192 ? 15.354 -20.436 9.568 0.54 26.66 ? 192 SER A O 1 ATOM 1485 C CB A SER A 1 192 ? 16.138 -18.363 11.697 0.46 19.06 ? 192 SER A CB 1 ATOM 1486 C CB B SER A 1 192 ? 16.255 -18.433 11.829 0.54 19.92 ? 192 SER A CB 1 ATOM 1487 O OG A SER A 1 192 ? 17.007 -17.325 12.099 0.46 17.28 ? 192 SER A OG 1 ATOM 1488 O OG B SER A 1 192 ? 15.075 -18.175 11.122 0.54 18.72 ? 192 SER A OG 1 ATOM 1489 N N . ALA A 1 193 ? 16.022 -21.726 11.280 1.00 27.05 ? 193 ALA A N 1 ATOM 1490 C CA . ALA A 1 193 ? 15.055 -22.797 10.961 1.00 35.04 ? 193 ALA A CA 1 ATOM 1491 C C . ALA A 1 193 ? 13.600 -22.390 11.298 1.00 34.82 ? 193 ALA A C 1 ATOM 1492 O O . ALA A 1 193 ? 12.682 -22.948 10.716 1.00 44.56 ? 193 ALA A O 1 ATOM 1493 C CB . ALA A 1 193 ? 15.434 -24.106 11.677 1.00 40.24 ? 193 ALA A CB 1 ATOM 1494 N N . ASN A 1 194 ? 13.391 -21.409 12.183 1.00 32.34 ? 194 ASN A N 1 ATOM 1495 C CA . ASN A 1 194 ? 12.015 -21.031 12.565 1.00 35.14 ? 194 ASN A CA 1 ATOM 1496 C C . ASN A 1 194 ? 11.455 -19.721 12.084 1.00 29.80 ? 194 ASN A C 1 ATOM 1497 O O . ASN A 1 194 ? 10.256 -19.552 12.134 1.00 26.13 ? 194 ASN A O 1 ATOM 1498 C CB . ASN A 1 194 ? 11.812 -21.137 14.075 1.00 38.92 ? 194 ASN A CB 1 ATOM 1499 C CG . ASN A 1 194 ? 11.748 -22.591 14.538 1.00 44.40 ? 194 ASN A CG 1 ATOM 1500 O OD1 . ASN A 1 194 ? 11.330 -23.480 13.792 1.00 47.31 ? 194 ASN A OD1 1 ATOM 1501 N ND2 . ASN A 1 194 ? 12.190 -22.838 15.756 1.00 51.11 ? 194 ASN A ND2 1 ATOM 1502 N N . ASN A 1 195 ? 12.305 -18.795 11.652 1.00 26.50 ? 195 ASN A N 1 ATOM 1503 C CA . ASN A 1 195 ? 11.791 -17.524 11.103 1.00 22.69 ? 195 ASN A CA 1 ATOM 1504 C C . ASN A 1 195 ? 12.158 -17.448 9.623 1.00 22.35 ? 195 ASN A C 1 ATOM 1505 O O . ASN A 1 195 ? 13.339 -17.412 9.261 1.00 24.18 ? 195 ASN A O 1 ATOM 1506 C CB . ASN A 1 195 ? 12.368 -16.369 11.870 1.00 21.58 ? 195 ASN A CB 1 ATOM 1507 C CG . ASN A 1 195 ? 11.828 -15.016 11.403 1.00 22.01 ? 195 ASN A CG 1 ATOM 1508 O OD1 . ASN A 1 195 ? 11.435 -14.856 10.268 1.00 20.18 ? 195 ASN A OD1 1 ATOM 1509 N ND2 . ASN A 1 195 ? 11.798 -14.031 12.334 1.00 23.20 ? 195 ASN A ND2 1 ATOM 1510 N N . ALA A 1 196 ? 11.142 -17.432 8.766 1.00 19.61 ? 196 ALA A N 1 ATOM 1511 C CA . ALA A 1 196 ? 11.317 -17.609 7.334 1.00 17.86 ? 196 ALA A CA 1 ATOM 1512 C C . ALA A 1 196 ? 12.088 -16.429 6.667 1.00 15.73 ? 196 ALA A C 1 ATOM 1513 O O . ALA A 1 196 ? 12.540 -16.553 5.553 1.00 14.38 ? 196 ALA A O 1 ATOM 1514 C CB . ALA A 1 196 ? 9.953 -17.760 6.686 1.00 20.72 ? 196 ALA A CB 1 ATOM 1515 N N . ASN A 1 197 ? 12.216 -15.301 7.357 1.00 12.85 ? 197 ASN A N 1 ATOM 1516 C CA . ASN A 1 197 ? 12.881 -14.114 6.771 1.00 13.31 ? 197 ASN A CA 1 ATOM 1517 C C . ASN A 1 197 ? 14.329 -13.919 7.244 1.00 10.72 ? 197 ASN A C 1 ATOM 1518 O O . ASN A 1 197 ? 15.050 -13.057 6.721 1.00 9.93 ? 197 ASN A O 1 ATOM 1519 C CB . ASN A 1 197 ? 12.075 -12.850 7.158 1.00 13.71 ? 197 ASN A CB 1 ATOM 1520 C CG . ASN A 1 197 ? 10.850 -12.684 6.319 1.00 15.28 ? 197 ASN A CG 1 ATOM 1521 O OD1 . ASN A 1 197 ? 10.910 -12.691 5.049 1.00 16.70 ? 197 ASN A OD1 1 ATOM 1522 N ND2 . ASN A 1 197 ? 9.737 -12.480 6.989 1.00 14.98 ? 197 ASN A ND2 1 ATOM 1523 N N . THR A 1 198 ? 14.732 -14.702 8.245 1.00 9.49 ? 198 THR A N 1 ATOM 1524 C CA . THR A 1 198 ? 15.880 -14.315 9.064 1.00 9.56 ? 198 THR A CA 1 ATOM 1525 C C . THR A 1 198 ? 16.992 -15.342 9.027 1.00 8.49 ? 198 THR A C 1 ATOM 1526 O O . THR A 1 198 ? 16.767 -16.522 8.701 1.00 8.49 ? 198 THR A O 1 ATOM 1527 C CB . THR A 1 198 ? 15.526 -13.973 10.512 1.00 10.23 ? 198 THR A CB 1 ATOM 1528 O OG1 . THR A 1 198 ? 15.162 -15.129 11.290 1.00 12.73 ? 198 THR A OG1 1 ATOM 1529 C CG2 . THR A 1 198 ? 14.431 -12.928 10.557 1.00 11.02 ? 198 THR A CG2 1 ATOM 1530 N N . GLY A 1 199 ? 18.159 -14.893 9.449 1.00 8.38 ? 199 GLY A N 1 ATOM 1531 C CA . GLY A 1 199 ? 19.371 -15.703 9.525 1.00 8.24 ? 199 GLY A CA 1 ATOM 1532 C C . GLY A 1 199 ? 20.378 -15.022 10.428 1.00 8.61 ? 199 GLY A C 1 ATOM 1533 O O . GLY A 1 199 ? 20.035 -14.042 11.124 1.00 8.36 ? 199 GLY A O 1 ATOM 1534 N N . ILE A 1 200 ? 21.574 -15.612 10.537 1.00 8.52 ? 200 ILE A N 1 ATOM 1535 C CA . ILE A 1 200 ? 22.658 -15.121 11.395 1.00 9.26 ? 200 ILE A CA 1 ATOM 1536 C C . ILE A 1 200 ? 23.969 -15.182 10.597 1.00 10.03 ? 200 ILE A C 1 ATOM 1537 O O . ILE A 1 200 ? 24.299 -16.276 10.019 1.00 9.25 ? 200 ILE A O 1 ATOM 1538 C CB . ILE A 1 200 ? 22.856 -16.112 12.579 1.00 11.04 ? 200 ILE A CB 1 ATOM 1539 C CG1 . ILE A 1 200 ? 21.581 -16.189 13.479 1.00 13.23 ? 200 ILE A CG1 1 ATOM 1540 C CG2 . ILE A 1 200 ? 24.098 -15.826 13.363 1.00 10.88 ? 200 ILE A CG2 1 ATOM 1541 C CD1 . ILE A 1 200 ? 21.275 -14.927 14.209 1.00 15.14 ? 200 ILE A CD1 1 ATOM 1542 N N . GLY A 1 201 ? 24.714 -14.075 10.550 1.00 8.51 ? 201 GLY A N 1 ATOM 1543 C CA . GLY A 1 201 ? 25.956 -14.035 9.770 1.00 8.90 ? 201 GLY A CA 1 ATOM 1544 C C . GLY A 1 201 ? 27.156 -14.057 10.700 1.00 8.46 ? 201 GLY A C 1 ATOM 1545 O O . GLY A 1 201 ? 27.037 -14.149 11.919 1.00 8.24 ? 201 GLY A O 1 ATOM 1546 N N . ASN A 1 202 ? 28.344 -13.996 10.124 1.00 9.43 ? 202 ASN A N 1 ATOM 1547 C CA . ASN A 1 202 ? 29.537 -14.084 10.927 1.00 10.36 ? 202 ASN A CA 1 ATOM 1548 C C . ASN A 1 202 ? 29.850 -12.816 11.689 1.00 9.76 ? 202 ASN A C 1 ATOM 1549 O O . ASN A 1 202 ? 30.648 -12.871 12.592 1.00 11.09 ? 202 ASN A O 1 ATOM 1550 C CB . ASN A 1 202 ? 30.745 -14.419 10.072 1.00 11.71 ? 202 ASN A CB 1 ATOM 1551 C CG . ASN A 1 202 ? 30.774 -15.864 9.643 1.00 12.23 ? 202 ASN A CG 1 ATOM 1552 O OD1 . ASN A 1 202 ? 30.021 -16.744 10.120 1.00 13.40 ? 202 ASN A OD1 1 ATOM 1553 N ND2 . ASN A 1 202 ? 31.672 -16.129 8.722 1.00 15.19 ? 202 ASN A ND2 1 ATOM 1554 N N . HIS A 1 203 ? 29.248 -11.679 11.338 1.00 9.29 ? 203 HIS A N 1 ATOM 1555 C CA . HIS A 1 203 ? 29.510 -10.438 12.021 1.00 9.29 ? 203 HIS A CA 1 ATOM 1556 C C . HIS A 1 203 ? 28.290 -9.915 12.740 1.00 8.55 ? 203 HIS A C 1 ATOM 1557 O O . HIS A 1 203 ? 27.144 -10.141 12.301 1.00 7.69 ? 203 HIS A O 1 ATOM 1558 C CB . HIS A 1 203 ? 30.028 -9.406 11.042 1.00 10.93 ? 203 HIS A CB 1 ATOM 1559 C CG . HIS A 1 203 ? 31.407 -9.749 10.559 1.00 14.80 ? 203 HIS A CG 1 ATOM 1560 N ND1 . HIS A 1 203 ? 31.697 -9.961 9.239 1.00 18.08 ? 203 HIS A ND1 1 ATOM 1561 C CD2 . HIS A 1 203 ? 32.551 -9.968 11.235 1.00 16.58 ? 203 HIS A CD2 1 ATOM 1562 C CE1 . HIS A 1 203 ? 32.981 -10.288 9.113 1.00 18.85 ? 203 HIS A CE1 1 ATOM 1563 N NE2 . HIS A 1 203 ? 33.520 -10.285 10.313 1.00 18.85 ? 203 HIS A NE2 1 ATOM 1564 N N . GLY A 1 204 ? 28.579 -9.265 13.865 1.00 8.48 ? 204 GLY A N 1 ATOM 1565 C CA . GLY A 1 204 ? 27.568 -8.569 14.711 1.00 8.20 ? 204 GLY A CA 1 ATOM 1566 C C . GLY A 1 204 ? 27.933 -7.117 14.938 1.00 8.30 ? 204 GLY A C 1 ATOM 1567 O O . GLY A 1 204 ? 29.085 -6.707 14.818 1.00 7.78 ? 204 GLY A O 1 ATOM 1568 N N . ALA A 1 205 ? 26.935 -6.319 15.305 1.00 8.04 ? 205 ALA A N 1 ATOM 1569 C CA . ALA A 1 205 ? 27.125 -4.868 15.399 1.00 8.02 ? 205 ALA A CA 1 ATOM 1570 C C . ALA A 1 205 ? 26.856 -4.441 16.837 1.00 8.41 ? 205 ALA A C 1 ATOM 1571 O O . ALA A 1 205 ? 25.692 -4.344 17.276 1.00 8.55 ? 205 ALA A O 1 ATOM 1572 C CB . ALA A 1 205 ? 26.201 -4.145 14.426 1.00 7.79 ? 205 ALA A CB 1 ATOM 1573 N N . CYS A 1 206 ? 27.940 -4.257 17.599 1.00 8.86 ? 206 CYS A N 1 ATOM 1574 C CA . CYS A 1 206 ? 27.880 -3.898 19.028 1.00 8.89 ? 206 CYS A CA 1 ATOM 1575 C C . CYS A 1 206 ? 27.937 -2.434 19.242 1.00 8.14 ? 206 CYS A C 1 ATOM 1576 O O . CYS A 1 206 ? 28.769 -1.771 18.646 1.00 7.49 ? 206 CYS A O 1 ATOM 1577 C CB . CYS A 1 206 ? 29.090 -4.474 19.760 1.00 9.76 ? 206 CYS A CB 1 ATOM 1578 S SG . CYS A 1 206 ? 29.380 -6.235 19.585 1.00 11.93 ? 206 CYS A SG 1 ATOM 1579 N N . CYS A 1 207 ? 27.133 -1.903 20.185 1.00 7.27 ? 207 CYS A N 1 ATOM 1580 C CA . CYS A 1 207 ? 27.316 -0.543 20.693 1.00 7.51 ? 207 CYS A CA 1 ATOM 1581 C C . CYS A 1 207 ? 26.398 -0.356 21.897 1.00 7.14 ? 207 CYS A C 1 ATOM 1582 O O . CYS A 1 207 ? 25.484 -1.165 22.145 1.00 6.11 ? 207 CYS A O 1 ATOM 1583 C CB . CYS A 1 207 ? 26.987 0.564 19.618 1.00 8.01 ? 207 CYS A CB 1 ATOM 1584 S SG . CYS A 1 207 ? 25.207 0.668 19.127 1.00 8.87 ? 207 CYS A SG 1 ATOM 1585 N N . ALA A 1 208 ? 26.640 0.729 22.620 1.00 7.39 ? 208 ALA A N 1 ATOM 1586 C CA . ALA A 1 208 ? 25.900 0.970 23.841 1.00 7.29 ? 208 ALA A CA 1 ATOM 1587 C C . ALA A 1 208 ? 24.410 1.168 23.596 1.00 7.12 ? 208 ALA A C 1 ATOM 1588 O O . ALA A 1 208 ? 23.990 1.726 22.593 1.00 7.15 ? 208 ALA A O 1 ATOM 1589 C CB . ALA A 1 208 ? 26.467 2.217 24.539 1.00 7.45 ? 208 ALA A CB 1 ATOM 1590 N N . GLU A 1 209 ? 23.635 0.750 24.587 1.00 6.65 ? 209 GLU A N 1 ATOM 1591 C CA . GLU A 1 209 ? 22.212 0.739 24.472 1.00 7.00 ? 209 GLU A CA 1 ATOM 1592 C C . GLU A 1 209 ? 21.559 1.173 25.795 1.00 6.81 ? 209 GLU A C 1 ATOM 1593 O O . GLU A 1 209 ? 21.862 0.623 26.843 1.00 6.22 ? 209 GLU A O 1 ATOM 1594 C CB . GLU A 1 209 ? 21.745 -0.641 24.106 1.00 6.86 ? 209 GLU A CB 1 ATOM 1595 C CG . GLU A 1 209 ? 20.226 -0.744 24.031 1.00 7.58 ? 209 GLU A CG 1 ATOM 1596 C CD . GLU A 1 209 ? 19.787 -2.110 23.477 1.00 8.08 ? 209 GLU A CD 1 ATOM 1597 O OE1 . GLU A 1 209 ? 20.638 -3.009 23.234 1.00 8.36 ? 209 GLU A OE1 1 ATOM 1598 O OE2 . GLU A 1 209 ? 18.541 -2.335 23.334 1.00 8.12 ? 209 GLU A OE2 1 ATOM 1599 N N . LEU A 1 210 ? 20.599 2.084 25.689 1.00 7.16 ? 210 LEU A N 1 ATOM 1600 C CA . LEU A 1 210 ? 19.903 2.541 26.903 1.00 7.06 ? 210 LEU A CA 1 ATOM 1601 C C . LEU A 1 210 ? 18.414 2.277 26.723 1.00 6.96 ? 210 LEU A C 1 ATOM 1602 O O . LEU A 1 210 ? 17.759 3.030 26.024 1.00 5.93 ? 210 LEU A O 1 ATOM 1603 C CB . LEU A 1 210 ? 20.172 3.990 27.097 1.00 8.20 ? 210 LEU A CB 1 ATOM 1604 C CG . LEU A 1 210 ? 19.521 4.765 28.241 1.00 8.94 ? 210 LEU A CG 1 ATOM 1605 C CD1 . LEU A 1 210 ? 19.982 4.211 29.611 1.00 9.71 ? 210 LEU A CD1 1 ATOM 1606 C CD2 . LEU A 1 210 ? 19.973 6.219 28.182 1.00 9.20 ? 210 LEU A CD2 1 ATOM 1607 N N . ASP A 1 211 ? 17.925 1.174 27.289 1.00 6.81 ? 211 ASP A N 1 ATOM 1608 C CA . ASP A 1 211 ? 16.584 0.744 27.085 1.00 7.29 ? 211 ASP A CA 1 ATOM 1609 C C . ASP A 1 211 ? 15.693 1.445 28.069 1.00 7.32 ? 211 ASP A C 1 ATOM 1610 O O . ASP A 1 211 ? 15.304 0.834 29.081 1.00 7.31 ? 211 ASP A O 1 ATOM 1611 C CB . ASP A 1 211 ? 16.462 -0.784 27.227 1.00 7.76 ? 211 ASP A CB 1 ATOM 1612 C CG . ASP A 1 211 ? 17.123 -1.513 26.086 1.00 8.13 ? 211 ASP A CG 1 ATOM 1613 O OD1 . ASP A 1 211 ? 16.998 -1.036 24.900 1.00 8.54 ? 211 ASP A OD1 1 ATOM 1614 O OD2 . ASP A 1 211 ? 17.779 -2.542 26.359 1.00 9.14 ? 211 ASP A OD2 1 ATOM 1615 N N . ILE A 1 212 ? 15.269 2.643 27.733 1.00 7.45 ? 212 ILE A N 1 ATOM 1616 C CA . ILE A 1 212 ? 14.480 3.353 28.719 1.00 8.46 ? 212 ILE A CA 1 ATOM 1617 C C . ILE A 1 212 ? 13.058 2.742 28.820 1.00 7.10 ? 212 ILE A C 1 ATOM 1618 O O . ILE A 1 212 ? 12.428 2.821 29.844 1.00 6.99 ? 212 ILE A O 1 ATOM 1619 C CB . ILE A 1 212 ? 14.455 4.852 28.564 1.00 10.37 ? 212 ILE A CB 1 ATOM 1620 C CG1 . ILE A 1 212 ? 13.730 5.261 27.353 1.00 12.10 ? 212 ILE A CG1 1 ATOM 1621 C CG2 . ILE A 1 212 ? 15.859 5.475 28.555 1.00 11.51 ? 212 ILE A CG2 1 ATOM 1622 C CD1 . ILE A 1 212 ? 13.239 6.733 27.466 1.00 13.87 ? 212 ILE A CD1 1 ATOM 1623 N N . TRP A 1 213 ? 12.618 2.082 27.778 1.00 6.67 ? 213 TRP A N 1 ATOM 1624 C CA . TRP A 1 213 ? 11.232 1.538 27.773 1.00 6.30 ? 213 TRP A CA 1 ATOM 1625 C C . TRP A 1 213 ? 11.123 0.245 26.964 1.00 6.74 ? 213 TRP A C 1 ATOM 1626 O O . TRP A 1 213 ? 11.290 0.279 25.760 1.00 6.45 ? 213 TRP A O 1 ATOM 1627 C CB . TRP A 1 213 ? 10.283 2.561 27.193 1.00 6.19 ? 213 TRP A CB 1 ATOM 1628 C CG . TRP A 1 213 ? 8.833 2.109 27.306 1.00 6.08 ? 213 TRP A CG 1 ATOM 1629 C CD1 . TRP A 1 213 ? 8.033 1.667 26.322 1.00 5.91 ? 213 TRP A CD1 1 ATOM 1630 C CD2 . TRP A 1 213 ? 8.061 2.097 28.505 1.00 5.99 ? 213 TRP A CD2 1 ATOM 1631 N NE1 . TRP A 1 213 ? 6.779 1.407 26.817 1.00 6.05 ? 213 TRP A NE1 1 ATOM 1632 C CE2 . TRP A 1 213 ? 6.795 1.636 28.175 1.00 5.96 ? 213 TRP A CE2 1 ATOM 1633 C CE3 . TRP A 1 213 ? 8.343 2.383 29.854 1.00 6.17 ? 213 TRP A CE3 1 ATOM 1634 C CZ2 . TRP A 1 213 ? 5.808 1.474 29.141 1.00 6.14 ? 213 TRP A CZ2 1 ATOM 1635 C CZ3 . TRP A 1 213 ? 7.342 2.278 30.786 1.00 6.11 ? 213 TRP A CZ3 1 ATOM 1636 C CH2 . TRP A 1 213 ? 6.107 1.763 30.439 1.00 5.89 ? 213 TRP A CH2 1 ATOM 1637 N N . GLU A 1 214 ? 10.943 -0.882 27.658 1.00 6.76 ? 214 GLU A N 1 ATOM 1638 C CA . GLU A 1 214 ? 10.582 -2.182 27.047 1.00 6.81 ? 214 GLU A CA 1 ATOM 1639 C C . GLU A 1 214 ? 9.373 -2.654 27.801 1.00 6.45 ? 214 GLU A C 1 ATOM 1640 O O . GLU A 1 214 ? 9.418 -2.864 29.030 1.00 6.29 ? 214 GLU A O 1 ATOM 1641 C CB . GLU A 1 214 ? 11.738 -3.178 27.099 1.00 7.65 ? 214 GLU A CB 1 ATOM 1642 C CG . GLU A 1 214 ? 12.904 -2.762 26.176 1.00 8.81 ? 214 GLU A CG 1 ATOM 1643 C CD . GLU A 1 214 ? 14.030 -3.777 26.198 1.00 10.92 ? 214 GLU A CD 1 ATOM 1644 O OE1 . GLU A 1 214 ? 14.052 -4.675 25.297 1.00 13.51 ? 214 GLU A OE1 1 ATOM 1645 O OE2 . GLU A 1 214 ? 14.863 -3.688 27.129 1.00 12.41 ? 214 GLU A OE2 1 ATOM 1646 N N . ALA A 1 215 ? 8.279 -2.851 27.096 1.00 6.04 ? 215 ALA A N 1 ATOM 1647 C CA . ALA A 1 215 ? 7.007 -3.036 27.815 1.00 5.69 ? 215 ALA A CA 1 ATOM 1648 C C . ALA A 1 215 ? 5.921 -3.576 26.950 1.00 5.50 ? 215 ALA A C 1 ATOM 1649 O O . ALA A 1 215 ? 5.864 -3.418 25.719 1.00 4.75 ? 215 ALA A O 1 ATOM 1650 C CB . ALA A 1 215 ? 6.507 -1.731 28.436 1.00 5.81 ? 215 ALA A CB 1 ATOM 1651 N N . ASN A 1 216 ? 4.976 -4.115 27.651 1.00 5.77 ? 216 ASN A N 1 ATOM 1652 C CA . ASN A 1 216 ? 3.683 -4.412 27.052 1.00 6.07 ? 216 ASN A CA 1 ATOM 1653 C C . ASN A 1 216 ? 2.593 -4.090 28.099 1.00 6.59 ? 216 ASN A C 1 ATOM 1654 O O . ASN A 1 216 ? 2.868 -3.355 29.081 1.00 7.46 ? 216 ASN A O 1 ATOM 1655 C CB . ASN A 1 216 ? 3.662 -5.856 26.543 1.00 6.08 ? 216 ASN A CB 1 ATOM 1656 C CG . ASN A 1 216 ? 3.983 -6.892 27.622 1.00 6.55 ? 216 ASN A CG 1 ATOM 1657 O OD1 . ASN A 1 216 ? 3.660 -6.733 28.819 1.00 6.10 ? 216 ASN A OD1 1 ATOM 1658 N ND2 . ASN A 1 216 ? 4.592 -7.981 27.191 1.00 7.05 ? 216 ASN A ND2 1 ATOM 1659 N N . SER A 1 217 ? 1.367 -4.599 27.899 1.00 7.25 ? 217 SER A N 1 ATOM 1660 C CA . SER A 1 217 ? 0.298 -4.268 28.875 1.00 7.59 ? 217 SER A CA 1 ATOM 1661 C C . SER A 1 217 ? 0.482 -4.917 30.265 1.00 7.70 ? 217 SER A C 1 ATOM 1662 O O . SER A 1 217 ? -0.265 -4.566 31.190 1.00 8.45 ? 217 SER A O 1 ATOM 1663 C CB . SER A 1 217 ? -1.097 -4.614 28.352 1.00 8.15 ? 217 SER A CB 1 ATOM 1664 O OG . SER A 1 217 ? -1.196 -5.983 28.170 1.00 8.17 ? 217 SER A OG 1 ATOM 1665 N N A ILE A 1 218 ? 1.440 -5.845 30.374 0.75 7.53 ? 218 ILE A N 1 ATOM 1666 N N B ILE A 1 218 ? 1.434 -5.847 30.372 0.25 7.69 ? 218 ILE A N 1 ATOM 1667 C CA A ILE A 1 218 ? 1.683 -6.641 31.564 0.75 7.56 ? 218 ILE A CA 1 ATOM 1668 C CA B ILE A 1 218 ? 1.665 -6.636 31.572 0.25 7.67 ? 218 ILE A CA 1 ATOM 1669 C C A ILE A 1 218 ? 2.828 -6.109 32.380 0.75 7.38 ? 218 ILE A C 1 ATOM 1670 C C B ILE A 1 218 ? 2.846 -6.141 32.395 0.25 7.53 ? 218 ILE A C 1 ATOM 1671 O O A ILE A 1 218 ? 2.638 -5.886 33.564 0.75 6.78 ? 218 ILE A O 1 ATOM 1672 O O B ILE A 1 218 ? 2.710 -5.971 33.603 0.25 7.40 ? 218 ILE A O 1 ATOM 1673 C CB A ILE A 1 218 ? 1.917 -8.133 31.252 0.75 8.09 ? 218 ILE A CB 1 ATOM 1674 C CB B ILE A 1 218 ? 1.863 -8.122 31.218 0.25 7.92 ? 218 ILE A CB 1 ATOM 1675 C CG1 A ILE A 1 218 ? 0.718 -8.684 30.484 0.75 8.28 ? 218 ILE A CG1 1 ATOM 1676 C CG1 B ILE A 1 218 ? 0.502 -8.760 30.935 0.25 8.06 ? 218 ILE A CG1 1 ATOM 1677 C CG2 A ILE A 1 218 ? 2.174 -8.933 32.547 0.75 8.44 ? 218 ILE A CG2 1 ATOM 1678 C CG2 B ILE A 1 218 ? 2.572 -8.857 32.354 0.25 8.01 ? 218 ILE A CG2 1 ATOM 1679 C CD1 A ILE A 1 218 ? 0.939 -8.748 29.016 0.75 8.35 ? 218 ILE A CD1 1 ATOM 1680 C CD1 B ILE A 1 218 ? -0.346 -8.892 32.178 0.25 8.12 ? 218 ILE A CD1 1 ATOM 1681 N N . SER A 1 219 ? 3.991 -5.910 31.753 1.00 7.15 ? 219 SER A N 1 ATOM 1682 C CA . SER A 1 219 ? 5.204 -5.495 32.468 1.00 7.64 ? 219 SER A CA 1 ATOM 1683 C C . SER A 1 219 ? 6.047 -4.486 31.659 1.00 6.92 ? 219 SER A C 1 ATOM 1684 O O . SER A 1 219 ? 5.905 -4.322 30.471 1.00 6.47 ? 219 SER A O 1 ATOM 1685 C CB . SER A 1 219 ? 6.057 -6.738 32.758 1.00 9.17 ? 219 SER A CB 1 ATOM 1686 O OG . SER A 1 219 ? 5.390 -7.571 33.738 1.00 11.63 ? 219 SER A OG 1 ATOM 1687 N N . GLU A 1 220 ? 6.905 -3.765 32.361 1.00 6.78 ? 220 GLU A N 1 ATOM 1688 C CA . GLU A 1 220 ? 7.772 -2.801 31.776 1.00 7.08 ? 220 GLU A CA 1 ATOM 1689 C C . GLU A 1 220 ? 9.142 -2.912 32.493 1.00 6.95 ? 220 GLU A C 1 ATOM 1690 O O . GLU A 1 220 ? 9.207 -3.219 33.676 1.00 6.43 ? 220 GLU A O 1 ATOM 1691 C CB . GLU A 1 220 ? 7.176 -1.403 31.919 1.00 7.90 ? 220 GLU A CB 1 ATOM 1692 C CG . GLU A 1 220 ? 6.781 -0.986 33.330 1.00 8.16 ? 220 GLU A CG 1 ATOM 1693 C CD . GLU A 1 220 ? 7.654 0.060 33.944 1.00 9.15 ? 220 GLU A CD 1 ATOM 1694 O OE1 . GLU A 1 220 ? 8.810 0.271 33.500 1.00 10.07 ? 220 GLU A OE1 1 ATOM 1695 O OE2 . GLU A 1 220 ? 7.145 0.731 34.905 1.00 11.14 ? 220 GLU A OE2 1 ATOM 1696 N N . ALA A 1 221 ? 10.196 -2.611 31.759 1.00 6.54 ? 221 ALA A N 1 ATOM 1697 C CA . ALA A 1 221 ? 11.525 -2.524 32.313 1.00 6.50 ? 221 ALA A CA 1 ATOM 1698 C C . ALA A 1 221 ? 12.358 -1.354 31.750 1.00 6.61 ? 221 ALA A C 1 ATOM 1699 O O . ALA A 1 221 ? 12.208 -0.961 30.605 1.00 6.29 ? 221 ALA A O 1 ATOM 1700 C CB . ALA A 1 221 ? 12.233 -3.823 32.047 1.00 6.79 ? 221 ALA A CB 1 ATOM 1701 N N . LEU A 1 222 ? 13.275 -0.860 32.590 1.00 6.21 ? 222 LEU A N 1 ATOM 1702 C CA . LEU A 1 222 ? 14.224 0.203 32.275 1.00 7.06 ? 222 LEU A CA 1 ATOM 1703 C C . LEU A 1 222 ? 15.619 -0.373 32.493 1.00 6.33 ? 222 LEU A C 1 ATOM 1704 O O . LEU A 1 222 ? 15.895 -0.850 33.590 1.00 5.71 ? 222 LEU A O 1 ATOM 1705 C CB . LEU A 1 222 ? 14.014 1.344 33.296 1.00 7.56 ? 222 LEU A CB 1 ATOM 1706 C CG . LEU A 1 222 ? 14.478 2.748 32.920 1.00 9.48 ? 222 LEU A CG 1 ATOM 1707 C CD1 . LEU A 1 222 ? 14.353 3.624 34.191 1.00 9.95 ? 222 LEU A CD1 1 ATOM 1708 C CD2 . LEU A 1 222 ? 15.831 2.987 32.291 1.00 9.71 ? 222 LEU A CD2 1 ATOM 1709 N N . THR A 1 223 ? 16.475 -0.384 31.465 1.00 6.32 ? 223 THR A N 1 ATOM 1710 C CA . THR A 1 223 ? 17.705 -1.157 31.496 1.00 6.51 ? 223 THR A CA 1 ATOM 1711 C C . THR A 1 223 ? 18.878 -0.478 30.684 1.00 6.34 ? 223 THR A C 1 ATOM 1712 O O . THR A 1 223 ? 18.887 -0.490 29.463 1.00 6.31 ? 223 THR A O 1 ATOM 1713 C CB . THR A 1 223 ? 17.523 -2.599 30.915 1.00 6.61 ? 223 THR A CB 1 ATOM 1714 O OG1 . THR A 1 223 ? 16.304 -3.219 31.400 1.00 6.69 ? 223 THR A OG1 1 ATOM 1715 C CG2 . THR A 1 223 ? 18.683 -3.417 31.262 1.00 6.74 ? 223 THR A CG2 1 ATOM 1716 N N . PRO A 1 224 ? 19.846 0.097 31.380 1.00 6.53 ? 224 PRO A N 1 ATOM 1717 C CA . PRO A 1 224 ? 21.102 0.443 30.681 1.00 6.58 ? 224 PRO A CA 1 ATOM 1718 C C . PRO A 1 224 ? 21.985 -0.770 30.395 1.00 6.81 ? 224 PRO A C 1 ATOM 1719 O O . PRO A 1 224 ? 22.164 -1.628 31.248 1.00 6.56 ? 224 PRO A O 1 ATOM 1720 C CB . PRO A 1 224 ? 21.777 1.419 31.659 1.00 6.53 ? 224 PRO A CB 1 ATOM 1721 C CG . PRO A 1 224 ? 21.281 0.911 33.020 1.00 6.60 ? 224 PRO A CG 1 ATOM 1722 C CD . PRO A 1 224 ? 19.832 0.634 32.762 1.00 6.44 ? 224 PRO A CD 1 ATOM 1723 N N . HIS A 1 225 ? 22.577 -0.782 29.203 1.00 7.04 ? 225 HIS A N 1 ATOM 1724 C CA . HIS A 1 225 ? 23.513 -1.800 28.788 1.00 7.26 ? 225 HIS A CA 1 ATOM 1725 C C . HIS A 1 225 ? 24.796 -1.165 28.223 1.00 7.40 ? 225 HIS A C 1 ATOM 1726 O O . HIS A 1 225 ? 24.841 -0.696 27.057 1.00 7.97 ? 225 HIS A O 1 ATOM 1727 C CB . HIS A 1 225 ? 22.964 -2.654 27.650 1.00 7.44 ? 225 HIS A CB 1 ATOM 1728 C CG . HIS A 1 225 ? 21.734 -3.447 27.949 1.00 7.45 ? 225 HIS A CG 1 ATOM 1729 N ND1 . HIS A 1 225 ? 21.725 -4.829 27.978 1.00 7.93 ? 225 HIS A ND1 1 ATOM 1730 C CD2 . HIS A 1 225 ? 20.444 -3.072 28.021 1.00 7.68 ? 225 HIS A CD2 1 ATOM 1731 C CE1 . HIS A 1 225 ? 20.493 -5.263 28.135 1.00 7.93 ? 225 HIS A CE1 1 ATOM 1732 N NE2 . HIS A 1 225 ? 19.693 -4.211 28.121 1.00 8.02 ? 225 HIS A NE2 1 ATOM 1733 N N . PRO A 1 226 ? 25.879 -1.226 29.007 1.00 7.84 ? 226 PRO A N 1 ATOM 1734 C CA . PRO A 1 226 ? 27.158 -0.662 28.564 1.00 7.72 ? 226 PRO A CA 1 ATOM 1735 C C . PRO A 1 226 ? 27.971 -1.637 27.720 1.00 8.29 ? 226 PRO A C 1 ATOM 1736 O O . PRO A 1 226 ? 27.780 -2.847 27.790 1.00 8.88 ? 226 PRO A O 1 ATOM 1737 C CB . PRO A 1 226 ? 27.872 -0.386 29.884 1.00 7.23 ? 226 PRO A CB 1 ATOM 1738 C CG . PRO A 1 226 ? 27.354 -1.400 30.831 1.00 7.14 ? 226 PRO A CG 1 ATOM 1739 C CD . PRO A 1 226 ? 25.935 -1.716 30.404 1.00 7.48 ? 226 PRO A CD 1 ATOM 1740 N N . CYS A 1 227 ? 28.941 -1.085 27.005 1.00 8.63 ? 227 CYS A N 1 ATOM 1741 C CA . CYS A 1 227 ? 29.877 -1.866 26.225 1.00 9.19 ? 227 CYS A CA 1 ATOM 1742 C C . CYS A 1 227 ? 31.264 -1.398 26.496 1.00 9.00 ? 227 CYS A C 1 ATOM 1743 O O . CYS A 1 227 ? 31.457 -0.370 27.081 1.00 8.35 ? 227 CYS A O 1 ATOM 1744 C CB . CYS A 1 227 ? 29.627 -1.746 24.707 1.00 9.64 ? 227 CYS A CB 1 ATOM 1745 S SG . CYS A 1 227 ? 27.942 -2.248 24.124 1.00 10.37 ? 227 CYS A SG 1 ATOM 1746 N N . ASP A 1 228 ? 32.230 -2.225 26.085 1.00 9.88 ? 228 ASP A N 1 ATOM 1747 C CA . ASP A 1 228 ? 33.665 -1.869 26.264 1.00 11.03 ? 228 ASP A CA 1 ATOM 1748 C C . ASP A 1 228 ? 34.037 -0.609 25.529 1.00 11.01 ? 228 ASP A C 1 ATOM 1749 O O . ASP A 1 228 ? 34.909 0.154 26.037 1.00 12.39 ? 228 ASP A O 1 ATOM 1750 C CB . ASP A 1 228 ? 34.595 -2.988 25.829 1.00 11.30 ? 228 ASP A CB 1 ATOM 1751 C CG . ASP A 1 228 ? 34.415 -4.259 26.681 1.00 12.16 ? 228 ASP A CG 1 ATOM 1752 O OD1 . ASP A 1 228 ? 33.861 -4.152 27.814 1.00 13.74 ? 228 ASP A OD1 1 ATOM 1753 O OD2 . ASP A 1 228 ? 34.833 -5.340 26.259 1.00 12.79 ? 228 ASP A OD2 1 ATOM 1754 N N . THR A 1 229 ? 33.447 -0.386 24.382 1.00 10.50 ? 229 THR A N 1 ATOM 1755 C CA . THR A 1 229 ? 33.627 0.872 23.672 1.00 11.85 ? 229 THR A CA 1 ATOM 1756 C C . THR A 1 229 ? 32.213 1.342 23.329 1.00 11.10 ? 229 THR A C 1 ATOM 1757 O O . THR A 1 229 ? 31.345 0.509 23.138 1.00 10.81 ? 229 THR A O 1 ATOM 1758 C CB . THR A 1 229 ? 34.460 0.711 22.398 1.00 13.16 ? 229 THR A CB 1 ATOM 1759 O OG1 . THR A 1 229 ? 34.017 -0.426 21.662 1.00 15.01 ? 229 THR A OG1 1 ATOM 1760 C CG2 . THR A 1 229 ? 35.885 0.438 22.743 1.00 14.06 ? 229 THR A CG2 1 ATOM 1761 N N . PRO A 1 230 ? 31.990 2.656 23.242 1.00 10.64 ? 230 PRO A N 1 ATOM 1762 C CA . PRO A 1 230 ? 30.577 3.144 23.149 1.00 10.16 ? 230 PRO A CA 1 ATOM 1763 C C . PRO A 1 230 ? 29.865 2.971 21.816 1.00 9.73 ? 230 PRO A C 1 ATOM 1764 O O . PRO A 1 230 ? 28.679 2.612 21.795 1.00 9.08 ? 230 PRO A O 1 ATOM 1765 C CB . PRO A 1 230 ? 30.669 4.650 23.501 1.00 10.58 ? 230 PRO A CB 1 ATOM 1766 C CG . PRO A 1 230 ? 32.099 4.990 23.385 1.00 11.10 ? 230 PRO A CG 1 ATOM 1767 C CD . PRO A 1 230 ? 32.918 3.734 23.628 1.00 10.30 ? 230 PRO A CD 1 ATOM 1768 N N . GLY A 1 231 ? 30.599 3.200 20.744 1.00 9.78 ? 231 GLY A N 1 ATOM 1769 C CA . GLY A 1 231 ? 30.091 3.182 19.389 1.00 9.50 ? 231 GLY A CA 1 ATOM 1770 C C . GLY A 1 231 ? 30.301 1.805 18.780 1.00 9.56 ? 231 GLY A C 1 ATOM 1771 O O . GLY A 1 231 ? 30.791 0.866 19.437 1.00 9.30 ? 231 GLY A O 1 ATOM 1772 N N . LEU A 1 232 ? 30.014 1.709 17.489 1.00 9.85 ? 232 LEU A N 1 ATOM 1773 C CA . LEU A 1 232 ? 30.110 0.462 16.767 1.00 10.52 ? 232 LEU A CA 1 ATOM 1774 C C . LEU A 1 232 ? 31.454 -0.261 16.931 1.00 11.71 ? 232 LEU A C 1 ATOM 1775 O O . LEU A 1 232 ? 32.573 0.299 16.745 1.00 10.74 ? 232 LEU A O 1 ATOM 1776 C CB . LEU A 1 232 ? 29.804 0.681 15.258 1.00 12.37 ? 232 LEU A CB 1 ATOM 1777 C CG . LEU A 1 232 ? 29.919 -0.632 14.412 1.00 12.85 ? 232 LEU A CG 1 ATOM 1778 C CD1 . LEU A 1 232 ? 28.822 -1.613 14.756 1.00 11.85 ? 232 LEU A CD1 1 ATOM 1779 C CD2 . LEU A 1 232 ? 29.930 -0.343 12.920 1.00 13.52 ? 232 LEU A CD2 1 ATOM 1780 N N . SER A 1 233 ? 31.330 -1.480 17.364 1.00 11.35 ? 233 SER A N 1 ATOM 1781 C CA . SER A 1 233 ? 32.395 -2.412 17.311 1.00 12.16 ? 233 SER A CA 1 ATOM 1782 C C . SER A 1 233 ? 31.858 -3.645 16.585 1.00 11.31 ? 233 SER A C 1 ATOM 1783 O O . SER A 1 233 ? 30.825 -4.223 16.980 1.00 11.16 ? 233 SER A O 1 ATOM 1784 C CB . SER A 1 233 ? 32.813 -2.719 18.760 1.00 11.83 ? 233 SER A CB 1 ATOM 1785 O OG . SER A 1 233 ? 33.688 -3.812 18.765 1.00 15.25 ? 233 SER A OG 1 ATOM 1786 N N . VAL A 1 234 ? 32.555 -4.057 15.524 1.00 10.19 ? 234 VAL A N 1 ATOM 1787 C CA . VAL A 1 234 ? 32.148 -5.211 14.788 1.00 9.89 ? 234 VAL A CA 1 ATOM 1788 C C . VAL A 1 234 ? 32.760 -6.449 15.383 1.00 10.44 ? 234 VAL A C 1 ATOM 1789 O O . VAL A 1 234 ? 33.983 -6.558 15.433 1.00 13.07 ? 234 VAL A O 1 ATOM 1790 C CB . VAL A 1 234 ? 32.497 -5.105 13.278 1.00 9.79 ? 234 VAL A CB 1 ATOM 1791 C CG1 . VAL A 1 234 ? 31.953 -6.313 12.552 1.00 9.50 ? 234 VAL A CG1 1 ATOM 1792 C CG2 . VAL A 1 234 ? 31.912 -3.860 12.634 1.00 10.52 ? 234 VAL A CG2 1 ATOM 1793 N N . CYS A 1 235 ? 31.923 -7.366 15.806 1.00 9.96 ? 235 CYS A N 1 ATOM 1794 C CA . CYS A 1 235 ? 32.367 -8.586 16.458 1.00 11.02 ? 235 CYS A CA 1 ATOM 1795 C C . CYS A 1 235 ? 32.267 -9.742 15.463 1.00 10.85 ? 235 CYS A C 1 ATOM 1796 O O . CYS A 1 235 ? 31.490 -9.671 14.496 1.00 9.88 ? 235 CYS A O 1 ATOM 1797 C CB . CYS A 1 235 ? 31.543 -8.849 17.706 1.00 11.94 ? 235 CYS A CB 1 ATOM 1798 S SG . CYS A 1 235 ? 29.747 -9.069 17.379 1.00 14.51 ? 235 CYS A SG 1 ATOM 1799 N N . THR A 1 236 ? 32.985 -10.827 15.742 1.00 10.79 ? 236 THR A N 1 ATOM 1800 C CA . THR A 1 236 ? 32.923 -12.016 14.914 1.00 11.81 ? 236 THR A CA 1 ATOM 1801 C C . THR A 1 236 ? 32.425 -13.279 15.633 1.00 13.04 ? 236 THR A C 1 ATOM 1802 O O . THR A 1 236 ? 32.854 -13.604 16.759 1.00 12.48 ? 236 THR A O 1 ATOM 1803 C CB . THR A 1 236 ? 34.327 -12.301 14.338 1.00 13.33 ? 236 THR A CB 1 ATOM 1804 O OG1 . THR A 1 236 ? 34.760 -11.171 13.602 1.00 12.89 ? 236 THR A OG1 1 ATOM 1805 C CG2 . THR A 1 236 ? 34.338 -13.547 13.459 1.00 12.81 ? 236 THR A CG2 1 ATOM 1806 N N . THR A 1 237 ? 31.507 -13.961 14.954 1.00 12.34 ? 237 THR A N 1 ATOM 1807 C CA . THR A 1 237 ? 30.863 -15.223 15.331 1.00 14.49 ? 237 THR A CA 1 ATOM 1808 C C . THR A 1 237 ? 30.584 -15.264 16.803 1.00 16.08 ? 237 THR A C 1 ATOM 1809 O O . THR A 1 237 ? 30.026 -14.295 17.328 1.00 15.37 ? 237 THR A O 1 ATOM 1810 C CB . THR A 1 237 ? 31.663 -16.465 14.825 1.00 13.94 ? 237 THR A CB 1 ATOM 1811 O OG1 . THR A 1 237 ? 33.025 -16.320 15.266 1.00 14.63 ? 237 THR A OG1 1 ATOM 1812 C CG2 . THR A 1 237 ? 31.621 -16.459 13.310 1.00 14.32 ? 237 THR A CG2 1 ATOM 1813 N N . ASP A 1 238 ? 30.949 -16.343 17.497 1.00 15.93 ? 238 ASP A N 1 ATOM 1814 C CA . ASP A 1 238 ? 30.557 -16.443 18.906 1.00 18.94 ? 238 ASP A CA 1 ATOM 1815 C C . ASP A 1 238 ? 31.252 -15.519 19.910 1.00 17.27 ? 238 ASP A C 1 ATOM 1816 O O . ASP A 1 238 ? 30.772 -15.390 21.009 1.00 20.14 ? 238 ASP A O 1 ATOM 1817 C CB . ASP A 1 238 ? 30.641 -17.888 19.386 1.00 22.72 ? 238 ASP A CB 1 ATOM 1818 C CG . ASP A 1 238 ? 29.445 -18.721 18.928 1.00 27.31 ? 238 ASP A CG 1 ATOM 1819 O OD1 . ASP A 1 238 ? 28.320 -18.187 18.709 1.00 31.66 ? 238 ASP A OD1 1 ATOM 1820 O OD2 . ASP A 1 238 ? 29.630 -19.927 18.769 1.00 33.56 ? 238 ASP A OD2 1 ATOM 1821 N N . ALA A 1 239 ? 32.333 -14.853 19.564 1.00 14.81 ? 239 ALA A N 1 ATOM 1822 C CA . ALA A 1 239 ? 32.852 -13.801 20.419 1.00 14.02 ? 239 ALA A CA 1 ATOM 1823 C C . ALA A 1 239 ? 31.896 -12.604 20.519 1.00 13.39 ? 239 ALA A C 1 ATOM 1824 O O . ALA A 1 239 ? 32.159 -11.667 21.239 1.00 12.10 ? 239 ALA A O 1 ATOM 1825 C CB . ALA A 1 239 ? 34.177 -13.317 19.924 1.00 12.98 ? 239 ALA A CB 1 ATOM 1826 N N . CYS A 1 240 ? 30.843 -12.604 19.721 1.00 12.99 ? 240 CYS A N 1 ATOM 1827 C CA . CYS A 1 240 ? 29.868 -11.501 19.760 1.00 11.95 ? 240 CYS A CA 1 ATOM 1828 C C . CYS A 1 240 ? 29.132 -11.464 21.095 1.00 11.98 ? 240 CYS A C 1 ATOM 1829 O O . CYS A 1 240 ? 28.797 -10.381 21.580 1.00 11.96 ? 240 CYS A O 1 ATOM 1830 C CB . CYS A 1 240 ? 28.806 -11.635 18.623 1.00 12.58 ? 240 CYS A CB 1 ATOM 1831 S SG . CYS A 1 240 ? 29.512 -11.080 17.058 1.00 13.34 ? 240 CYS A SG 1 ATOM 1832 N N . GLY A 1 241 ? 28.843 -12.633 21.661 1.00 11.42 ? 241 GLY A N 1 ATOM 1833 C CA . GLY A 1 241 ? 28.000 -12.678 22.828 1.00 12.06 ? 241 GLY A CA 1 ATOM 1834 C C . GLY A 1 241 ? 26.604 -12.245 22.393 1.00 12.98 ? 241 GLY A C 1 ATOM 1835 O O . GLY A 1 241 ? 26.274 -12.281 21.199 1.00 11.55 ? 241 GLY A O 1 ATOM 1836 N N . GLY A 1 242 ? 25.794 -11.817 23.364 1.00 13.39 ? 242 GLY A N 1 ATOM 1837 C CA . GLY A 1 242 ? 24.424 -11.396 23.086 1.00 15.23 ? 242 GLY A CA 1 ATOM 1838 C C . GLY A 1 242 ? 23.451 -12.558 22.863 1.00 19.20 ? 242 GLY A C 1 ATOM 1839 O O . GLY A 1 242 ? 23.808 -13.746 22.892 1.00 17.11 ? 242 GLY A O 1 ATOM 1840 N N . THR A 1 243 ? 22.180 -12.224 22.630 1.00 23.58 ? 243 THR A N 1 ATOM 1841 C CA . THR A 1 243 ? 21.180 -13.272 22.267 1.00 28.50 ? 243 THR A CA 1 ATOM 1842 C C . THR A 1 243 ? 21.448 -14.070 20.861 1.00 24.15 ? 243 THR A C 1 ATOM 1843 O O . THR A 1 243 ? 20.855 -15.073 20.626 1.00 29.37 ? 243 THR A O 1 ATOM 1844 C CB . THR A 1 243 ? 19.747 -12.643 22.508 1.00 32.56 ? 243 THR A CB 1 ATOM 1845 O OG1 . THR A 1 243 ? 19.798 -11.694 23.612 1.00 34.21 ? 243 THR A OG1 1 ATOM 1846 C CG2 . THR A 1 243 ? 18.668 -13.693 22.888 1.00 32.11 ? 243 THR A CG2 1 ATOM 1847 N N . TYR A 1 244 ? 22.352 -13.693 19.939 0.70 25.70 ? 244 TYR A N 1 ATOM 1848 C CA . TYR A 1 244 ? 22.522 -14.533 18.692 0.60 25.76 ? 244 TYR A CA 1 ATOM 1849 C C . TYR A 1 244 ? 23.679 -15.510 18.744 0.69 27.58 ? 244 TYR A C 1 ATOM 1850 O O . TYR A 1 244 ? 24.045 -16.093 17.719 0.61 31.27 ? 244 TYR A O 1 ATOM 1851 C CB . TYR A 1 244 ? 22.621 -13.709 17.382 0.46 24.05 ? 244 TYR A CB 1 ATOM 1852 C CG . TYR A 1 244 ? 21.360 -12.945 17.064 0.29 23.13 ? 244 TYR A CG 1 ATOM 1853 C CD1 . TYR A 1 244 ? 20.165 -13.601 16.755 0.42 22.81 ? 244 TYR A CD1 1 ATOM 1854 C CD2 . TYR A 1 244 ? 21.356 -11.573 17.097 0.50 21.49 ? 244 TYR A CD2 1 ATOM 1855 C CE1 . TYR A 1 244 ? 19.016 -12.885 16.464 0.60 22.74 ? 244 TYR A CE1 1 ATOM 1856 C CE2 . TYR A 1 244 ? 20.218 -10.857 16.819 0.62 21.30 ? 244 TYR A CE2 1 ATOM 1857 C CZ . TYR A 1 244 ? 19.053 -11.499 16.555 0.69 22.04 ? 244 TYR A CZ 1 ATOM 1858 O OH . TYR A 1 244 ? 17.955 -10.713 16.303 0.59 23.82 ? 244 TYR A OH 1 ATOM 1859 N N . SER A 1 245 ? 24.264 -15.674 19.932 1.00 30.34 ? 245 SER A N 1 ATOM 1860 C CA . SER A 1 245 ? 25.487 -16.471 20.106 1.00 28.67 ? 245 SER A CA 1 ATOM 1861 C C . SER A 1 245 ? 25.287 -17.563 21.164 1.00 27.17 ? 245 SER A C 1 ATOM 1862 O O . SER A 1 245 ? 24.298 -17.580 21.934 1.00 25.28 ? 245 SER A O 1 ATOM 1863 C CB . SER A 1 245 ? 26.724 -15.582 20.411 1.00 29.50 ? 245 SER A CB 1 ATOM 1864 O OG . SER A 1 245 ? 27.001 -14.698 19.294 1.00 27.57 ? 245 SER A OG 1 ATOM 1865 N N . SER A 1 246 ? 26.234 -18.503 21.164 1.00 27.34 ? 246 SER A N 1 ATOM 1866 C CA . SER A 1 246 ? 26.161 -19.686 22.044 1.00 29.05 ? 246 SER A CA 1 ATOM 1867 C C . SER A 1 246 ? 26.207 -19.313 23.513 1.00 25.01 ? 246 SER A C 1 ATOM 1868 O O . SER A 1 246 ? 25.468 -19.889 24.349 1.00 23.96 ? 246 SER A O 1 ATOM 1869 C CB . SER A 1 246 ? 27.347 -20.633 21.738 1.00 30.12 ? 246 SER A CB 1 ATOM 1870 O OG . SER A 1 246 ? 27.262 -21.116 20.403 1.00 36.56 ? 246 SER A OG 1 ATOM 1871 N N . ASP A 1 247 ? 27.102 -18.354 23.805 1.00 21.88 ? 247 ASP A N 1 ATOM 1872 C CA . ASP A 1 247 ? 27.324 -17.844 25.128 1.00 20.78 ? 247 ASP A CA 1 ATOM 1873 C C . ASP A 1 247 ? 27.115 -16.354 25.159 1.00 16.91 ? 247 ASP A C 1 ATOM 1874 O O . ASP A 1 247 ? 27.956 -15.600 24.649 1.00 13.05 ? 247 ASP A O 1 ATOM 1875 C CB . ASP A 1 247 ? 28.748 -18.160 25.564 1.00 23.76 ? 247 ASP A CB 1 ATOM 1876 C CG . ASP A 1 247 ? 29.119 -17.507 26.907 1.00 27.84 ? 247 ASP A CG 1 ATOM 1877 O OD1 . ASP A 1 247 ? 28.221 -17.053 27.670 1.00 25.20 ? 247 ASP A OD1 1 ATOM 1878 O OD2 . ASP A 1 247 ? 30.348 -17.432 27.187 1.00 33.24 ? 247 ASP A OD2 1 ATOM 1879 N N . ARG A 1 248 ? 25.993 -15.928 25.750 1.00 13.96 ? 248 ARG A N 1 ATOM 1880 C CA . ARG A 1 248 ? 25.660 -14.515 25.772 1.00 13.44 ? 248 ARG A CA 1 ATOM 1881 C C . ARG A 1 248 ? 26.720 -13.618 26.417 1.00 12.28 ? 248 ARG A C 1 ATOM 1882 O O . ARG A 1 248 ? 26.763 -12.420 26.146 1.00 11.39 ? 248 ARG A O 1 ATOM 1883 C CB . ARG A 1 248 ? 24.314 -14.296 26.481 1.00 14.09 ? 248 ARG A CB 1 ATOM 1884 C CG . ARG A 1 248 ? 24.334 -14.590 27.961 1.00 13.39 ? 248 ARG A CG 1 ATOM 1885 C CD . ARG A 1 248 ? 22.924 -14.652 28.559 1.00 14.63 ? 248 ARG A CD 1 ATOM 1886 N NE . ARG A 1 248 ? 22.261 -13.352 28.788 1.00 13.96 ? 248 ARG A NE 1 ATOM 1887 C CZ . ARG A 1 248 ? 21.282 -12.855 28.028 1.00 13.34 ? 248 ARG A CZ 1 ATOM 1888 N NH1 . ARG A 1 248 ? 20.732 -11.701 28.309 1.00 13.31 ? 248 ARG A NH1 1 ATOM 1889 N NH2 . ARG A 1 248 ? 20.858 -13.518 26.968 1.00 13.75 ? 248 ARG A NH2 1 ATOM 1890 N N . TYR A 1 249 ? 27.576 -14.174 27.251 1.00 12.81 ? 249 TYR A N 1 ATOM 1891 C CA . TYR A 1 249 ? 28.562 -13.375 27.987 1.00 13.54 ? 249 TYR A CA 1 ATOM 1892 C C . TYR A 1 249 ? 29.945 -13.383 27.355 1.00 13.66 ? 249 TYR A C 1 ATOM 1893 O O . TYR A 1 249 ? 30.903 -12.852 27.936 1.00 13.14 ? 249 TYR A O 1 ATOM 1894 C CB . TYR A 1 249 ? 28.656 -13.878 29.440 1.00 14.51 ? 249 TYR A CB 1 ATOM 1895 C CG . TYR A 1 249 ? 27.342 -13.806 30.164 1.00 15.27 ? 249 TYR A CG 1 ATOM 1896 C CD1 . TYR A 1 249 ? 26.813 -12.570 30.528 1.00 15.25 ? 249 TYR A CD1 1 ATOM 1897 C CD2 . TYR A 1 249 ? 26.646 -14.957 30.506 1.00 15.73 ? 249 TYR A CD2 1 ATOM 1898 C CE1 . TYR A 1 249 ? 25.641 -12.476 31.199 1.00 15.56 ? 249 TYR A CE1 1 ATOM 1899 C CE2 . TYR A 1 249 ? 25.461 -14.897 31.194 1.00 15.94 ? 249 TYR A CE2 1 ATOM 1900 C CZ . TYR A 1 249 ? 24.950 -13.640 31.534 1.00 15.65 ? 249 TYR A CZ 1 ATOM 1901 O OH . TYR A 1 249 ? 23.754 -13.585 32.182 1.00 16.43 ? 249 TYR A OH 1 ATOM 1902 N N . ALA A 1 250 ? 30.047 -13.919 26.142 1.00 13.95 ? 250 ALA A N 1 ATOM 1903 C CA . ALA A 1 250 ? 31.350 -14.071 25.510 1.00 14.63 ? 250 ALA A CA 1 ATOM 1904 C C . ALA A 1 250 ? 31.894 -12.764 24.877 1.00 14.09 ? 250 ALA A C 1 ATOM 1905 O O . ALA A 1 250 ? 33.087 -12.636 24.567 1.00 14.05 ? 250 ALA A O 1 ATOM 1906 C CB . ALA A 1 250 ? 31.250 -15.191 24.508 1.00 16.04 ? 250 ALA A CB 1 ATOM 1907 N N . GLY A 1 251 ? 31.075 -11.723 24.791 1.00 13.66 ? 251 GLY A N 1 ATOM 1908 C CA . GLY A 1 251 ? 31.446 -10.505 24.029 1.00 12.38 ? 251 GLY A CA 1 ATOM 1909 C C . GLY A 1 251 ? 31.738 -9.246 24.801 1.00 12.61 ? 251 GLY A C 1 ATOM 1910 O O . GLY A 1 251 ? 32.114 -9.281 25.951 1.00 12.98 ? 251 GLY A O 1 ATOM 1911 N N . THR A 1 252 ? 31.630 -8.129 24.116 1.00 11.20 ? 252 THR A N 1 ATOM 1912 C CA . THR A 1 252 ? 32.156 -6.845 24.601 1.00 10.93 ? 252 THR A CA 1 ATOM 1913 C C . THR A 1 252 ? 31.038 -5.903 25.101 1.00 10.93 ? 252 THR A C 1 ATOM 1914 O O . THR A 1 252 ? 31.314 -4.784 25.523 1.00 11.10 ? 252 THR A O 1 ATOM 1915 C CB . THR A 1 252 ? 32.947 -6.095 23.498 1.00 10.73 ? 252 THR A CB 1 ATOM 1916 O OG1 . THR A 1 252 ? 32.107 -5.796 22.363 1.00 10.25 ? 252 THR A OG1 1 ATOM 1917 C CG2 . THR A 1 252 ? 34.171 -6.952 23.033 1.00 11.66 ? 252 THR A CG2 1 ATOM 1918 N N . CYS A 1 253 ? 29.810 -6.376 25.014 1.00 10.71 ? 253 CYS A N 1 ATOM 1919 C CA . CYS A 1 253 ? 28.660 -5.662 25.554 1.00 11.04 ? 253 CYS A CA 1 ATOM 1920 C C . CYS A 1 253 ? 27.939 -6.449 26.625 1.00 10.12 ? 253 CYS A C 1 ATOM 1921 O O . CYS A 1 253 ? 27.922 -7.669 26.610 1.00 11.54 ? 253 CYS A O 1 ATOM 1922 C CB . CYS A 1 253 ? 27.649 -5.368 24.477 1.00 10.99 ? 253 CYS A CB 1 ATOM 1923 S SG . CYS A 1 253 ? 28.181 -4.093 23.312 1.00 12.33 ? 253 CYS A SG 1 ATOM 1924 N N . ASP A 1 254 ? 27.344 -5.725 27.542 1.00 9.54 ? 254 ASP A N 1 ATOM 1925 C CA . ASP A 1 254 ? 26.514 -6.358 28.609 1.00 9.62 ? 254 ASP A CA 1 ATOM 1926 C C . ASP A 1 254 ? 25.131 -6.731 28.063 1.00 8.94 ? 254 ASP A C 1 ATOM 1927 O O . ASP A 1 254 ? 24.319 -5.848 27.783 1.00 8.72 ? 254 ASP A O 1 ATOM 1928 C CB . ASP A 1 254 ? 26.388 -5.387 29.775 1.00 10.92 ? 254 ASP A CB 1 ATOM 1929 C CG . ASP A 1 254 ? 25.395 -5.865 30.869 1.00 12.21 ? 254 ASP A CG 1 ATOM 1930 O OD1 . ASP A 1 254 ? 25.005 -7.069 30.931 1.00 11.31 ? 254 ASP A OD1 1 ATOM 1931 O OD2 . ASP A 1 254 ? 25.020 -4.971 31.649 1.00 12.96 ? 254 ASP A OD2 1 ATOM 1932 N N . PRO A 1 255 ? 24.863 -8.031 27.929 1.00 8.37 ? 255 PRO A N 1 ATOM 1933 C CA . PRO A 1 255 ? 23.555 -8.432 27.409 1.00 8.63 ? 255 PRO A CA 1 ATOM 1934 C C . PRO A 1 255 ? 22.432 -8.385 28.376 1.00 8.87 ? 255 PRO A C 1 ATOM 1935 O O . PRO A 1 255 ? 21.266 -8.468 27.965 1.00 8.86 ? 255 PRO A O 1 ATOM 1936 C CB . PRO A 1 255 ? 23.776 -9.871 27.031 1.00 8.80 ? 255 PRO A CB 1 ATOM 1937 C CG . PRO A 1 255 ? 24.788 -10.377 28.053 1.00 8.89 ? 255 PRO A CG 1 ATOM 1938 C CD . PRO A 1 255 ? 25.644 -9.183 28.409 1.00 8.78 ? 255 PRO A CD 1 ATOM 1939 N N . ASP A 1 256 ? 22.736 -8.334 29.677 1.00 8.77 ? 256 ASP A N 1 ATOM 1940 C CA . ASP A 1 256 ? 21.678 -8.410 30.678 1.00 9.56 ? 256 ASP A CA 1 ATOM 1941 C C . ASP A 1 256 ? 21.257 -7.008 31.091 1.00 8.65 ? 256 ASP A C 1 ATOM 1942 O O . ASP A 1 256 ? 20.106 -6.704 31.194 1.00 8.28 ? 256 ASP A O 1 ATOM 1943 C CB . ASP A 1 256 ? 22.195 -9.162 31.929 1.00 9.93 ? 256 ASP A CB 1 ATOM 1944 C CG . ASP A 1 256 ? 22.400 -10.621 31.683 1.00 10.80 ? 256 ASP A CG 1 ATOM 1945 O OD1 . ASP A 1 256 ? 22.128 -11.156 30.574 1.00 11.07 ? 256 ASP A OD1 1 ATOM 1946 O OD2 . ASP A 1 256 ? 22.816 -11.264 32.665 1.00 12.77 ? 256 ASP A OD2 1 ATOM 1947 N N . GLY A 1 257 ? 22.248 -6.154 31.346 1.00 8.96 ? 257 GLY A N 1 ATOM 1948 C CA . GLY A 1 257 ? 21.992 -4.822 31.839 1.00 8.73 ? 257 GLY A CA 1 ATOM 1949 C C . GLY A 1 257 ? 21.757 -4.704 33.343 1.00 9.09 ? 257 GLY A C 1 ATOM 1950 O O . GLY A 1 257 ? 21.824 -5.673 34.088 1.00 8.58 ? 257 GLY A O 1 ATOM 1951 N N . CYS A 1 258 ? 21.536 -3.482 33.800 1.00 9.21 ? 258 CYS A N 1 ATOM 1952 C CA . CYS A 1 258 ? 21.135 -3.233 35.201 1.00 10.34 ? 258 CYS A CA 1 ATOM 1953 C C . CYS A 1 258 ? 19.708 -2.740 35.101 1.00 9.82 ? 258 CYS A C 1 ATOM 1954 O O . CYS A 1 258 ? 19.463 -1.525 34.833 1.00 9.81 ? 258 CYS A O 1 ATOM 1955 C CB . CYS A 1 258 ? 22.053 -2.237 35.886 1.00 11.79 ? 258 CYS A CB 1 ATOM 1956 S SG . CYS A 1 258 ? 21.458 -1.756 37.557 1.00 13.87 ? 258 CYS A SG 1 ATOM 1957 N N . ASP A 1 259 ? 18.799 -3.711 35.178 1.00 8.90 ? 259 ASP A N 1 ATOM 1958 C CA . ASP A 1 259 ? 17.398 -3.474 34.898 1.00 9.05 ? 259 ASP A CA 1 ATOM 1959 C C . ASP A 1 259 ? 16.556 -3.109 36.132 1.00 8.30 ? 259 ASP A C 1 ATOM 1960 O O . ASP A 1 259 ? 16.836 -3.592 37.208 1.00 8.34 ? 259 ASP A O 1 ATOM 1961 C CB . ASP A 1 259 ? 16.782 -4.718 34.272 1.00 9.29 ? 259 ASP A CB 1 ATOM 1962 C CG . ASP A 1 259 ? 16.753 -5.931 35.238 1.00 10.34 ? 259 ASP A CG 1 ATOM 1963 O OD1 . ASP A 1 259 ? 17.819 -6.320 35.776 1.00 10.69 ? 259 ASP A OD1 1 ATOM 1964 O OD2 . ASP A 1 259 ? 15.621 -6.474 35.497 1.00 11.01 ? 259 ASP A OD2 1 ATOM 1965 N N . PHE A 1 260 ? 15.496 -2.315 35.913 1.00 7.43 ? 260 PHE A N 1 ATOM 1966 C CA . PHE A 1 260 ? 14.506 -1.980 36.927 1.00 7.47 ? 260 PHE A CA 1 ATOM 1967 C C . PHE A 1 260 ? 13.106 -2.245 36.318 1.00 7.05 ? 260 PHE A C 1 ATOM 1968 O O . PHE A 1 260 ? 12.645 -1.509 35.452 1.00 6.63 ? 260 PHE A O 1 ATOM 1969 C CB . PHE A 1 260 ? 14.626 -0.496 37.329 1.00 8.12 ? 260 PHE A CB 1 ATOM 1970 C CG . PHE A 1 260 ? 13.939 -0.139 38.604 1.00 8.19 ? 260 PHE A CG 1 ATOM 1971 C CD1 . PHE A 1 260 ? 12.546 -0.114 38.694 1.00 8.75 ? 260 PHE A CD1 1 ATOM 1972 C CD2 . PHE A 1 260 ? 14.682 0.196 39.775 1.00 8.59 ? 260 PHE A CD2 1 ATOM 1973 C CE1 . PHE A 1 260 ? 11.911 0.276 39.869 1.00 8.55 ? 260 PHE A CE1 1 ATOM 1974 C CE2 . PHE A 1 260 ? 14.034 0.571 40.964 1.00 8.90 ? 260 PHE A CE2 1 ATOM 1975 C CZ . PHE A 1 260 ? 12.632 0.572 41.016 1.00 9.14 ? 260 PHE A CZ 1 ATOM 1976 N N . ASN A 1 261 ? 12.471 -3.338 36.760 1.00 6.85 ? 261 ASN A N 1 ATOM 1977 C CA . ASN A 1 261 ? 11.100 -3.740 36.441 1.00 6.78 ? 261 ASN A CA 1 ATOM 1978 C C . ASN A 1 261 ? 10.401 -3.802 37.779 1.00 6.84 ? 261 ASN A C 1 ATOM 1979 O O . ASN A 1 261 ? 10.783 -4.666 38.607 1.00 7.08 ? 261 ASN A O 1 ATOM 1980 C CB . ASN A 1 261 ? 11.151 -5.133 35.758 1.00 6.59 ? 261 ASN A CB 1 ATOM 1981 C CG . ASN A 1 261 ? 9.801 -5.778 35.616 1.00 6.23 ? 261 ASN A CG 1 ATOM 1982 O OD1 . ASN A 1 261 ? 8.846 -5.425 36.332 1.00 6.16 ? 261 ASN A OD1 1 ATOM 1983 N ND2 . ASN A 1 261 ? 9.713 -6.765 34.741 1.00 6.08 ? 261 ASN A ND2 1 ATOM 1984 N N A PRO A 1 262 ? 9.387 -2.919 38.006 0.55 7.00 ? 262 PRO A N 1 ATOM 1985 N N B PRO A 1 262 ? 9.453 -2.880 38.043 0.45 7.12 ? 262 PRO A N 1 ATOM 1986 C CA A PRO A 1 262 ? 8.737 -2.837 39.328 0.55 7.20 ? 262 PRO A CA 1 ATOM 1987 C CA B PRO A 1 262 ? 8.832 -2.868 39.367 0.45 7.33 ? 262 PRO A CA 1 ATOM 1988 C C A PRO A 1 262 ? 8.230 -4.189 39.833 0.55 7.43 ? 262 PRO A C 1 ATOM 1989 C C B PRO A 1 262 ? 8.306 -4.238 39.821 0.45 7.52 ? 262 PRO A C 1 ATOM 1990 O O A PRO A 1 262 ? 8.320 -4.465 41.021 0.55 7.31 ? 262 PRO A O 1 ATOM 1991 O O B PRO A 1 262 ? 8.523 -4.607 40.964 0.45 7.52 ? 262 PRO A O 1 ATOM 1992 C CB A PRO A 1 262 ? 7.528 -1.899 39.087 0.55 7.25 ? 262 PRO A CB 1 ATOM 1993 C CB B PRO A 1 262 ? 7.692 -1.863 39.177 0.45 7.41 ? 262 PRO A CB 1 ATOM 1994 C CG A PRO A 1 262 ? 7.342 -1.820 37.634 0.55 7.12 ? 262 PRO A CG 1 ATOM 1995 C CG B PRO A 1 262 ? 8.297 -0.858 38.259 0.45 7.28 ? 262 PRO A CG 1 ATOM 1996 C CD A PRO A 1 262 ? 8.679 -2.097 37.010 0.55 6.95 ? 262 PRO A CD 1 ATOM 1997 C CD B PRO A 1 262 ? 8.976 -1.739 37.240 0.45 7.17 ? 262 PRO A CD 1 ATOM 1998 N N . TYR A 1 263 ? 7.637 -4.980 38.933 1.00 7.71 ? 263 TYR A N 1 ATOM 1999 C CA . TYR A 1 263 ? 7.097 -6.302 39.282 1.00 8.23 ? 263 TYR A CA 1 ATOM 2000 C C . TYR A 1 263 ? 8.220 -7.276 39.753 1.00 8.08 ? 263 TYR A C 1 ATOM 2001 O O . TYR A 1 263 ? 8.118 -7.951 40.782 1.00 8.07 ? 263 TYR A O 1 ATOM 2002 C CB . TYR A 1 263 ? 6.353 -6.869 38.088 1.00 9.23 ? 263 TYR A CB 1 ATOM 2003 C CG . TYR A 1 263 ? 5.529 -8.081 38.441 1.00 9.66 ? 263 TYR A CG 1 ATOM 2004 C CD1 . TYR A 1 263 ? 6.143 -9.325 38.716 1.00 10.41 ? 263 TYR A CD1 1 ATOM 2005 C CD2 . TYR A 1 263 ? 4.145 -7.987 38.506 1.00 10.45 ? 263 TYR A CD2 1 ATOM 2006 C CE1 . TYR A 1 263 ? 5.360 -10.438 39.050 1.00 11.13 ? 263 TYR A CE1 1 ATOM 2007 C CE2 . TYR A 1 263 ? 3.378 -9.083 38.832 1.00 10.83 ? 263 TYR A CE2 1 ATOM 2008 C CZ . TYR A 1 263 ? 3.974 -10.280 39.128 1.00 11.81 ? 263 TYR A CZ 1 ATOM 2009 O OH . TYR A 1 263 ? 3.189 -11.350 39.475 1.00 13.88 ? 263 TYR A OH 1 ATOM 2010 N N . ARG A 1 264 ? 9.318 -7.297 39.009 1.00 7.81 ? 264 ARG A N 1 ATOM 2011 C CA . ARG A 1 264 ? 10.485 -8.063 39.385 1.00 8.57 ? 264 ARG A CA 1 ATOM 2012 C C . ARG A 1 264 ? 10.997 -7.735 40.775 1.00 9.35 ? 264 ARG A C 1 ATOM 2013 O O . ARG A 1 264 ? 11.483 -8.626 41.502 1.00 9.25 ? 264 ARG A O 1 ATOM 2014 C CB . ARG A 1 264 ? 11.577 -7.942 38.352 1.00 8.94 ? 264 ARG A CB 1 ATOM 2015 C CG . ARG A 1 264 ? 12.668 -8.974 38.566 1.00 9.43 ? 264 ARG A CG 1 ATOM 2016 C CD . ARG A 1 264 ? 13.718 -8.939 37.490 1.00 9.28 ? 264 ARG A CD 1 ATOM 2017 N NE . ARG A 1 264 ? 14.668 -10.053 37.700 1.00 9.70 ? 264 ARG A NE 1 ATOM 2018 C CZ . ARG A 1 264 ? 15.972 -10.036 37.463 1.00 10.15 ? 264 ARG A CZ 1 ATOM 2019 N NH1 . ARG A 1 264 ? 16.737 -11.096 37.767 1.00 10.62 ? 264 ARG A NH1 1 ATOM 2020 N NH2 . ARG A 1 264 ? 16.568 -8.957 36.951 1.00 11.38 ? 264 ARG A NH2 1 ATOM 2021 N N . LEU A 1 265 ? 10.892 -6.464 41.162 1.00 9.46 ? 265 LEU A N 1 ATOM 2022 C CA . LEU A 1 265 ? 11.311 -5.987 42.460 1.00 9.95 ? 265 LEU A CA 1 ATOM 2023 C C . LEU A 1 265 ? 10.199 -6.072 43.520 1.00 10.77 ? 265 LEU A C 1 ATOM 2024 O O . LEU A 1 265 ? 10.236 -5.382 44.579 1.00 11.28 ? 265 LEU A O 1 ATOM 2025 C CB . LEU A 1 265 ? 11.780 -4.532 42.355 1.00 10.53 ? 265 LEU A CB 1 ATOM 2026 C CG . LEU A 1 265 ? 13.002 -4.402 41.456 1.00 9.97 ? 265 LEU A CG 1 ATOM 2027 C CD1 . LEU A 1 265 ? 13.243 -2.941 41.201 1.00 10.36 ? 265 LEU A CD1 1 ATOM 2028 C CD2 . LEU A 1 265 ? 14.223 -5.079 42.077 1.00 10.25 ? 265 LEU A CD2 1 ATOM 2029 N N . GLY A 1 266 ? 9.217 -6.910 43.267 1.00 10.58 ? 266 GLY A N 1 ATOM 2030 C CA . GLY A 1 266 ? 8.191 -7.221 44.283 1.00 10.60 ? 266 GLY A CA 1 ATOM 2031 C C . GLY A 1 266 ? 6.950 -6.387 44.294 1.00 11.24 ? 266 GLY A C 1 ATOM 2032 O O . GLY A 1 266 ? 6.093 -6.584 45.158 1.00 11.29 ? 266 GLY A O 1 ATOM 2033 N N . VAL A 1 267 ? 6.826 -5.448 43.353 1.00 10.75 ? 267 VAL A N 1 ATOM 2034 C CA . VAL A 1 267 ? 5.754 -4.448 43.385 1.00 11.48 ? 267 VAL A CA 1 ATOM 2035 C C . VAL A 1 267 ? 4.752 -4.868 42.334 1.00 12.30 ? 267 VAL A C 1 ATOM 2036 O O . VAL A 1 267 ? 4.777 -4.412 41.208 1.00 12.19 ? 267 VAL A O 1 ATOM 2037 C CB . VAL A 1 267 ? 6.238 -2.990 43.152 1.00 11.72 ? 267 VAL A CB 1 ATOM 2038 C CG1 . VAL A 1 267 ? 5.145 -2.028 43.512 1.00 11.42 ? 267 VAL A CG1 1 ATOM 2039 C CG2 . VAL A 1 267 ? 7.447 -2.645 44.024 1.00 12.08 ? 267 VAL A CG2 1 ATOM 2040 N N . THR A 1 268 ? 3.891 -5.786 42.709 1.00 13.15 ? 268 THR A N 1 ATOM 2041 C CA . THR A 1 268 ? 3.078 -6.478 41.730 1.00 14.04 ? 268 THR A CA 1 ATOM 2042 C C . THR A 1 268 ? 1.765 -5.777 41.433 1.00 15.77 ? 268 THR A C 1 ATOM 2043 O O . THR A 1 268 ? 1.032 -6.190 40.507 1.00 17.02 ? 268 THR A O 1 ATOM 2044 C CB . THR A 1 268 ? 2.766 -7.929 42.216 1.00 16.12 ? 268 THR A CB 1 ATOM 2045 O OG1 . THR A 1 268 ? 2.212 -7.883 43.549 1.00 14.50 ? 268 THR A OG1 1 ATOM 2046 C CG2 . THR A 1 268 ? 4.027 -8.744 42.293 1.00 16.74 ? 268 THR A CG2 1 ATOM 2047 N N . ASP A 1 269 ? 1.442 -4.743 42.196 1.00 14.54 ? 269 ASP A N 1 ATOM 2048 C CA . ASP A 1 269 ? 0.188 -4.021 41.969 1.00 17.11 ? 269 ASP A CA 1 ATOM 2049 C C . ASP A 1 269 ? 0.371 -2.663 41.263 1.00 13.96 ? 269 ASP A C 1 ATOM 2050 O O . ASP A 1 269 ? -0.563 -1.885 41.159 1.00 14.03 ? 269 ASP A O 1 ATOM 2051 C CB . ASP A 1 269 ? -0.573 -3.841 43.299 1.00 20.96 ? 269 ASP A CB 1 ATOM 2052 C CG . ASP A 1 269 ? 0.183 -2.953 44.298 1.00 26.31 ? 269 ASP A CG 1 ATOM 2053 O OD1 . ASP A 1 269 ? 1.378 -2.558 44.045 1.00 26.56 ? 269 ASP A OD1 1 ATOM 2054 O OD2 . ASP A 1 269 ? -0.418 -2.653 45.363 1.00 33.77 ? 269 ASP A OD2 1 ATOM 2055 N N . PHE A 1 270 ? 1.573 -2.410 40.759 1.00 12.18 ? 270 PHE A N 1 ATOM 2056 C CA . PHE A 1 270 ? 1.909 -1.102 40.253 1.00 11.24 ? 270 PHE A CA 1 ATOM 2057 C C . PHE A 1 270 ? 1.544 -0.846 38.799 1.00 10.61 ? 270 PHE A C 1 ATOM 2058 O O . PHE A 1 270 ? 1.075 0.215 38.472 1.00 11.10 ? 270 PHE A O 1 ATOM 2059 C CB . PHE A 1 270 ? 3.407 -0.825 40.445 1.00 10.02 ? 270 PHE A CB 1 ATOM 2060 C CG . PHE A 1 270 ? 3.810 0.508 39.912 1.00 10.03 ? 270 PHE A CG 1 ATOM 2061 C CD1 . PHE A 1 270 ? 3.411 1.680 40.574 1.00 9.41 ? 270 PHE A CD1 1 ATOM 2062 C CD2 . PHE A 1 270 ? 4.555 0.616 38.754 1.00 9.21 ? 270 PHE A CD2 1 ATOM 2063 C CE1 . PHE A 1 270 ? 3.755 2.916 40.071 1.00 10.00 ? 270 PHE A CE1 1 ATOM 2064 C CE2 . PHE A 1 270 ? 4.871 1.874 38.230 1.00 9.41 ? 270 PHE A CE2 1 ATOM 2065 C CZ . PHE A 1 270 ? 4.482 3.023 38.868 1.00 8.99 ? 270 PHE A CZ 1 ATOM 2066 N N . TYR A 1 271 ? 1.814 -1.809 37.928 1.00 11.43 ? 271 TYR A N 1 ATOM 2067 C CA . TYR A 1 271 ? 1.735 -1.608 36.484 1.00 9.60 ? 271 TYR A CA 1 ATOM 2068 C C . TYR A 1 271 ? 0.957 -2.758 35.868 1.00 9.47 ? 271 TYR A C 1 ATOM 2069 O O . TYR A 1 271 ? 1.353 -3.903 35.982 1.00 10.08 ? 271 TYR A O 1 ATOM 2070 C CB . TYR A 1 271 ? 3.166 -1.588 35.952 1.00 8.81 ? 271 TYR A CB 1 ATOM 2071 C CG . TYR A 1 271 ? 3.247 -1.459 34.451 1.00 7.65 ? 271 TYR A CG 1 ATOM 2072 C CD1 . TYR A 1 271 ? 3.193 -0.180 33.851 1.00 7.25 ? 271 TYR A CD1 1 ATOM 2073 C CD2 . TYR A 1 271 ? 3.289 -2.568 33.625 1.00 7.12 ? 271 TYR A CD2 1 ATOM 2074 C CE1 . TYR A 1 271 ? 3.247 -0.021 32.468 1.00 7.13 ? 271 TYR A CE1 1 ATOM 2075 C CE2 . TYR A 1 271 ? 3.360 -2.408 32.240 1.00 7.01 ? 271 TYR A CE2 1 ATOM 2076 C CZ . TYR A 1 271 ? 3.359 -1.148 31.665 1.00 6.86 ? 271 TYR A CZ 1 ATOM 2077 O OH . TYR A 1 271 ? 3.465 -0.920 30.297 1.00 6.86 ? 271 TYR A OH 1 ATOM 2078 N N . GLY A 1 272 ? -0.103 -2.451 35.137 1.00 10.21 ? 272 GLY A N 1 ATOM 2079 C CA . GLY A 1 272 ? -0.864 -3.521 34.547 1.00 9.90 ? 272 GLY A CA 1 ATOM 2080 C C . GLY A 1 272 ? -2.291 -3.081 34.422 1.00 10.61 ? 272 GLY A C 1 ATOM 2081 O O . GLY A 1 272 ? -2.655 -1.917 34.709 1.00 10.41 ? 272 GLY A O 1 ATOM 2082 N N . SER A 1 273 ? -3.133 -3.976 33.934 1.00 11.46 ? 273 SER A N 1 ATOM 2083 C CA . SER A 1 273 ? -4.542 -3.661 33.803 1.00 13.29 ? 273 SER A CA 1 ATOM 2084 C C . SER A 1 273 ? -5.193 -3.231 35.134 1.00 14.70 ? 273 SER A C 1 ATOM 2085 O O . SER A 1 273 ? -5.144 -3.984 36.121 1.00 13.58 ? 273 SER A O 1 ATOM 2086 C CB . SER A 1 273 ? -5.299 -4.876 33.198 1.00 15.91 ? 273 SER A CB 1 ATOM 2087 O OG . SER A 1 273 ? -6.665 -4.474 33.001 1.00 19.12 ? 273 SER A OG 1 ATOM 2088 N N . GLY A 1 274 ? -5.714 -2.001 35.151 1.00 13.59 ? 274 GLY A N 1 ATOM 2089 C CA . GLY A 1 274 ? -6.328 -1.409 36.303 1.00 15.35 ? 274 GLY A CA 1 ATOM 2090 C C . GLY A 1 274 ? -5.415 -1.163 37.499 1.00 15.59 ? 274 GLY A C 1 ATOM 2091 O O . GLY A 1 274 ? -5.897 -1.009 38.597 1.00 14.15 ? 274 GLY A O 1 ATOM 2092 N N . LYS A 1 275 ? -4.089 -1.170 37.308 1.00 13.98 ? 275 LYS A N 1 ATOM 2093 C CA . LYS A 1 275 ? -3.209 -0.953 38.421 1.00 13.59 ? 275 LYS A CA 1 ATOM 2094 C C . LYS A 1 275 ? -2.888 0.546 38.591 1.00 12.22 ? 275 LYS A C 1 ATOM 2095 O O . LYS A 1 275 ? -3.510 1.409 37.995 1.00 11.66 ? 275 LYS A O 1 ATOM 2096 C CB . LYS A 1 275 ? -1.906 -1.767 38.263 1.00 16.12 ? 275 LYS A CB 1 ATOM 2097 C CG . LYS A 1 275 ? -2.047 -3.219 37.906 1.00 19.22 ? 275 LYS A CG 1 ATOM 2098 C CD . LYS A 1 275 ? -2.716 -3.966 39.020 1.00 24.08 ? 275 LYS A CD 1 ATOM 2099 C CE . LYS A 1 275 ? -2.804 -5.472 38.730 1.00 28.65 ? 275 LYS A CE 1 ATOM 2100 N NZ . LYS A 1 275 ? -1.487 -6.111 38.426 1.00 30.15 ? 275 LYS A NZ 1 ATOM 2101 N N . THR A 1 276 ? -1.876 0.836 39.397 1.00 12.02 ? 276 THR A N 1 ATOM 2102 C CA . THR A 1 276 ? -1.566 2.219 39.769 1.00 11.42 ? 276 THR A CA 1 ATOM 2103 C C . THR A 1 276 ? -1.290 3.010 38.512 1.00 11.49 ? 276 THR A C 1 ATOM 2104 O O . THR A 1 276 ? -1.798 4.147 38.346 1.00 10.34 ? 276 THR A O 1 ATOM 2105 C CB . THR A 1 276 ? -0.390 2.268 40.702 1.00 12.14 ? 276 THR A CB 1 ATOM 2106 O OG1 . THR A 1 276 ? -0.651 1.397 41.807 1.00 11.78 ? 276 THR A OG1 1 ATOM 2107 C CG2 . THR A 1 276 ? -0.157 3.700 41.212 1.00 12.22 ? 276 THR A CG2 1 ATOM 2108 N N . VAL A 1 277 ? -0.465 2.404 37.652 1.00 9.46 ? 277 VAL A N 1 ATOM 2109 C CA . VAL A 1 277 ? -0.370 2.810 36.250 1.00 9.77 ? 277 VAL A CA 1 ATOM 2110 C C . VAL A 1 277 ? -1.229 1.822 35.470 1.00 9.37 ? 277 VAL A C 1 ATOM 2111 O O . VAL A 1 277 ? -0.919 0.628 35.400 1.00 9.39 ? 277 VAL A O 1 ATOM 2112 C CB . VAL A 1 277 ? 1.045 2.786 35.692 1.00 9.40 ? 277 VAL A CB 1 ATOM 2113 C CG1 . VAL A 1 277 ? 1.026 3.151 34.184 1.00 10.03 ? 277 VAL A CG1 1 ATOM 2114 C CG2 . VAL A 1 277 ? 1.937 3.759 36.440 1.00 9.62 ? 277 VAL A CG2 1 ATOM 2115 N N . ASP A 1 278 ? -2.316 2.326 34.881 1.00 9.53 ? 278 ASP A N 1 ATOM 2116 C CA . ASP A 1 278 ? -3.375 1.462 34.360 1.00 10.38 ? 278 ASP A CA 1 ATOM 2117 C C . ASP A 1 278 ? -3.098 1.314 32.879 1.00 9.72 ? 278 ASP A C 1 ATOM 2118 O O . ASP A 1 278 ? -3.292 2.243 32.107 1.00 9.23 ? 278 ASP A O 1 ATOM 2119 C CB . ASP A 1 278 ? -4.771 2.119 34.581 1.00 12.01 ? 278 ASP A CB 1 ATOM 2120 C CG . ASP A 1 278 ? -5.916 1.356 33.961 1.00 13.56 ? 278 ASP A CG 1 ATOM 2121 O OD1 . ASP A 1 278 ? -5.734 0.320 33.288 1.00 13.80 ? 278 ASP A OD1 1 ATOM 2122 O OD2 . ASP A 1 278 ? -7.079 1.807 34.216 1.00 15.38 ? 278 ASP A OD2 1 ATOM 2123 N N . THR A 1 279 ? -2.721 0.116 32.470 1.00 9.35 ? 279 THR A N 1 ATOM 2124 C CA . THR A 1 279 ? -2.200 -0.026 31.100 1.00 8.76 ? 279 THR A CA 1 ATOM 2125 C C . THR A 1 279 ? -3.362 -0.126 30.095 1.00 8.87 ? 279 THR A C 1 ATOM 2126 O O . THR A 1 279 ? -3.147 -0.322 28.918 1.00 8.30 ? 279 THR A O 1 ATOM 2127 C CB . THR A 1 279 ? -1.308 -1.235 30.979 1.00 9.48 ? 279 THR A CB 1 ATOM 2128 O OG1 . THR A 1 279 ? -2.017 -2.410 31.437 1.00 9.92 ? 279 THR A OG1 1 ATOM 2129 C CG2 . THR A 1 279 ? 0.026 -1.063 31.766 1.00 9.13 ? 279 THR A CG2 1 ATOM 2130 N N . THR A 1 280 ? -4.614 -0.064 30.574 1.00 9.00 ? 280 THR A N 1 ATOM 2131 C CA . THR A 1 280 ? -5.719 -0.020 29.604 1.00 10.46 ? 280 THR A CA 1 ATOM 2132 C C . THR A 1 280 ? -5.831 1.358 28.968 1.00 10.08 ? 280 THR A C 1 ATOM 2133 O O . THR A 1 280 ? -6.475 1.500 27.948 1.00 11.51 ? 280 THR A O 1 ATOM 2134 C CB . THR A 1 280 ? -7.074 -0.422 30.196 1.00 11.16 ? 280 THR A CB 1 ATOM 2135 O OG1 . THR A 1 280 ? -7.460 0.556 31.147 1.00 11.72 ? 280 THR A OG1 1 ATOM 2136 C CG2 . THR A 1 280 ? -6.990 -1.783 30.856 1.00 11.71 ? 280 THR A CG2 1 ATOM 2137 N N . LYS A 1 281 ? -5.116 2.334 29.503 1.00 11.16 ? 281 LYS A N 1 ATOM 2138 C CA . LYS A 1 281 ? -5.179 3.714 29.045 1.00 11.63 ? 281 LYS A CA 1 ATOM 2139 C C . LYS A 1 281 ? -3.778 4.278 28.772 1.00 10.70 ? 281 LYS A C 1 ATOM 2140 O O . LYS A 1 281 ? -2.807 3.788 29.327 1.00 9.80 ? 281 LYS A O 1 ATOM 2141 C CB . LYS A 1 281 ? -5.808 4.529 30.138 1.00 14.27 ? 281 LYS A CB 1 ATOM 2142 C CG . LYS A 1 281 ? -7.145 3.955 30.525 1.00 17.61 ? 281 LYS A CG 1 ATOM 2143 C CD . LYS A 1 281 ? -7.984 4.909 31.305 1.00 23.83 ? 281 LYS A CD 1 ATOM 2144 C CE . LYS A 1 281 ? -9.456 4.439 31.178 1.00 30.76 ? 281 LYS A CE 1 ATOM 2145 N NZ . LYS A 1 281 ? -10.374 5.198 32.087 1.00 37.15 ? 281 LYS A NZ 1 ATOM 2146 N N . PRO A 1 282 ? -3.674 5.286 27.914 1.00 9.81 ? 282 PRO A N 1 ATOM 2147 C CA . PRO A 1 282 ? -2.331 5.885 27.731 1.00 9.32 ? 282 PRO A CA 1 ATOM 2148 C C . PRO A 1 282 ? -1.747 6.544 29.001 1.00 9.23 ? 282 PRO A C 1 ATOM 2149 O O . PRO A 1 282 ? -2.471 6.916 29.950 1.00 8.17 ? 282 PRO A O 1 ATOM 2150 C CB . PRO A 1 282 ? -2.560 6.926 26.580 1.00 9.55 ? 282 PRO A CB 1 ATOM 2151 C CG . PRO A 1 282 ? -3.821 6.459 25.923 1.00 9.69 ? 282 PRO A CG 1 ATOM 2152 C CD . PRO A 1 282 ? -4.662 5.980 27.071 1.00 9.84 ? 282 PRO A CD 1 ATOM 2153 N N . PHE A 1 283 ? -0.421 6.637 29.038 1.00 8.32 ? 283 PHE A N 1 ATOM 2154 C CA . PHE A 1 283 ? 0.235 7.315 30.113 1.00 8.02 ? 283 PHE A CA 1 ATOM 2155 C C . PHE A 1 283 ? 1.590 7.838 29.660 1.00 7.64 ? 283 PHE A C 1 ATOM 2156 O O . PHE A 1 283 ? 2.102 7.463 28.592 1.00 7.79 ? 283 PHE A O 1 ATOM 2157 C CB . PHE A 1 283 ? 0.423 6.390 31.311 1.00 8.22 ? 283 PHE A CB 1 ATOM 2158 C CG . PHE A 1 283 ? 1.133 5.131 30.982 1.00 7.37 ? 283 PHE A CG 1 ATOM 2159 C CD1 . PHE A 1 283 ? 2.534 5.069 31.026 1.00 7.19 ? 283 PHE A CD1 1 ATOM 2160 C CD2 . PHE A 1 283 ? 0.424 4.011 30.567 1.00 7.24 ? 283 PHE A CD2 1 ATOM 2161 C CE1 . PHE A 1 283 ? 3.195 3.928 30.641 1.00 6.99 ? 283 PHE A CE1 1 ATOM 2162 C CE2 . PHE A 1 283 ? 1.080 2.877 30.185 1.00 7.47 ? 283 PHE A CE2 1 ATOM 2163 C CZ . PHE A 1 283 ? 2.480 2.812 30.217 1.00 7.67 ? 283 PHE A CZ 1 ATOM 2164 N N . THR A 1 284 ? 2.096 8.762 30.454 1.00 7.23 ? 284 THR A N 1 ATOM 2165 C CA . THR A 1 284 ? 3.348 9.474 30.166 1.00 6.86 ? 284 THR A CA 1 ATOM 2166 C C . THR A 1 284 ? 4.473 8.929 31.066 1.00 6.26 ? 284 THR A C 1 ATOM 2167 O O . THR A 1 284 ? 4.296 8.637 32.257 1.00 6.34 ? 284 THR A O 1 ATOM 2168 C CB . THR A 1 284 ? 3.116 10.962 30.352 1.00 7.47 ? 284 THR A CB 1 ATOM 2169 O OG1 . THR A 1 284 ? 2.071 11.386 29.408 1.00 8.63 ? 284 THR A OG1 1 ATOM 2170 C CG2 . THR A 1 284 ? 4.354 11.760 30.157 1.00 7.80 ? 284 THR A CG2 1 ATOM 2171 N N . VAL A 1 285 ? 5.638 8.799 30.474 1.00 5.97 ? 285 VAL A N 1 ATOM 2172 C CA . VAL A 1 285 ? 6.807 8.236 31.122 1.00 5.60 ? 285 VAL A CA 1 ATOM 2173 C C . VAL A 1 285 ? 7.915 9.295 31.085 1.00 5.52 ? 285 VAL A C 1 ATOM 2174 O O . VAL A 1 285 ? 8.341 9.718 30.018 1.00 5.73 ? 285 VAL A O 1 ATOM 2175 C CB . VAL A 1 285 ? 7.292 6.976 30.333 1.00 5.39 ? 285 VAL A CB 1 ATOM 2176 C CG1 . VAL A 1 285 ? 8.490 6.316 31.009 1.00 5.24 ? 285 VAL A CG1 1 ATOM 2177 C CG2 . VAL A 1 285 ? 6.158 5.976 30.181 1.00 5.50 ? 285 VAL A CG2 1 ATOM 2178 N N . VAL A 1 286 ? 8.418 9.687 32.250 1.00 5.83 ? 286 VAL A N 1 ATOM 2179 C CA . VAL A 1 286 ? 9.473 10.711 32.345 1.00 5.47 ? 286 VAL A CA 1 ATOM 2180 C C . VAL A 1 286 ? 10.699 10.097 32.872 1.00 5.44 ? 286 VAL A C 1 ATOM 2181 O O . VAL A 1 286 ? 10.659 9.376 33.903 1.00 5.18 ? 286 VAL A O 1 ATOM 2182 C CB . VAL A 1 286 ? 9.035 11.912 33.253 1.00 5.50 ? 286 VAL A CB 1 ATOM 2183 C CG1 . VAL A 1 286 ? 10.209 12.921 33.391 1.00 5.75 ? 286 VAL A CG1 1 ATOM 2184 C CG2 . VAL A 1 286 ? 7.735 12.566 32.752 1.00 5.56 ? 286 VAL A CG2 1 ATOM 2185 N N . THR A 1 287 ? 11.837 10.384 32.247 1.00 5.31 ? 287 THR A N 1 ATOM 2186 C CA . THR A 1 287 ? 13.088 9.723 32.696 1.00 5.93 ? 287 THR A CA 1 ATOM 2187 C C . THR A 1 287 ? 14.190 10.758 32.779 1.00 6.58 ? 287 THR A C 1 ATOM 2188 O O . THR A 1 287 ? 14.267 11.584 31.871 1.00 7.36 ? 287 THR A O 1 ATOM 2189 C CB . THR A 1 287 ? 13.512 8.567 31.770 1.00 5.75 ? 287 THR A CB 1 ATOM 2190 O OG1 . THR A 1 287 ? 12.428 7.657 31.562 1.00 5.60 ? 287 THR A OG1 1 ATOM 2191 C CG2 . THR A 1 287 ? 14.643 7.767 32.392 1.00 5.63 ? 287 THR A CG2 1 ATOM 2192 N N . GLN A 1 288 ? 14.941 10.775 33.880 1.00 6.41 ? 288 GLN A N 1 ATOM 2193 C CA . GLN A 1 288 ? 16.012 11.745 34.100 1.00 7.13 ? 288 GLN A CA 1 ATOM 2194 C C . GLN A 1 288 ? 17.369 11.087 34.250 1.00 6.92 ? 288 GLN A C 1 ATOM 2195 O O . GLN A 1 288 ? 17.487 10.093 34.957 1.00 7.18 ? 288 GLN A O 1 ATOM 2196 C CB . GLN A 1 288 ? 15.774 12.550 35.358 1.00 8.14 ? 288 GLN A CB 1 ATOM 2197 C CG . GLN A 1 288 ? 14.442 13.280 35.367 1.00 9.53 ? 288 GLN A CG 1 ATOM 2198 C CD . GLN A 1 288 ? 14.184 14.017 36.686 1.00 12.45 ? 288 GLN A CD 1 ATOM 2199 O OE1 . GLN A 1 288 ? 14.581 13.562 37.769 1.00 14.21 ? 288 GLN A OE1 1 ATOM 2200 N NE2 . GLN A 1 288 ? 13.518 15.163 36.600 1.00 14.38 ? 288 GLN A NE2 1 ATOM 2201 N N . PHE A 1 289 ? 18.376 11.687 33.635 1.00 6.28 ? 289 PHE A N 1 ATOM 2202 C CA . PHE A 1 289 ? 19.736 11.193 33.628 1.00 6.34 ? 289 PHE A CA 1 ATOM 2203 C C . PHE A 1 289 ? 20.627 12.111 34.418 1.00 7.17 ? 289 PHE A C 1 ATOM 2204 O O . PHE A 1 289 ? 21.106 13.146 33.924 1.00 7.88 ? 289 PHE A O 1 ATOM 2205 C CB . PHE A 1 289 ? 20.153 11.052 32.150 1.00 6.35 ? 289 PHE A CB 1 ATOM 2206 C CG . PHE A 1 289 ? 19.180 10.235 31.385 1.00 5.91 ? 289 PHE A CG 1 ATOM 2207 C CD1 . PHE A 1 289 ? 19.137 8.857 31.569 1.00 6.20 ? 289 PHE A CD1 1 ATOM 2208 C CD2 . PHE A 1 289 ? 18.246 10.839 30.551 1.00 5.89 ? 289 PHE A CD2 1 ATOM 2209 C CE1 . PHE A 1 289 ? 18.230 8.098 30.838 1.00 6.34 ? 289 PHE A CE1 1 ATOM 2210 C CE2 . PHE A 1 289 ? 17.314 10.081 29.850 1.00 6.49 ? 289 PHE A CE2 1 ATOM 2211 C CZ . PHE A 1 289 ? 17.299 8.700 30.010 1.00 6.10 ? 289 PHE A CZ 1 ATOM 2212 N N . VAL A 1 290 ? 20.808 11.772 35.688 1.00 7.21 ? 290 VAL A N 1 ATOM 2213 C CA . VAL A 1 290 ? 21.487 12.605 36.646 1.00 7.96 ? 290 VAL A CA 1 ATOM 2214 C C . VAL A 1 290 ? 22.984 12.312 36.561 1.00 8.51 ? 290 VAL A C 1 ATOM 2215 O O . VAL A 1 290 ? 23.401 11.162 36.513 1.00 8.57 ? 290 VAL A O 1 ATOM 2216 C CB . VAL A 1 290 ? 21.012 12.293 38.061 1.00 8.19 ? 290 VAL A CB 1 ATOM 2217 C CG1 . VAL A 1 290 ? 21.726 13.135 39.111 1.00 8.09 ? 290 VAL A CG1 1 ATOM 2218 C CG2 . VAL A 1 290 ? 19.511 12.497 38.195 1.00 8.78 ? 290 VAL A CG2 1 ATOM 2219 N N . THR A 1 291 ? 23.797 13.371 36.512 1.00 9.14 ? 291 THR A N 1 ATOM 2220 C CA . THR A 1 291 ? 25.250 13.224 36.467 1.00 9.82 ? 291 THR A CA 1 ATOM 2221 C C . THR A 1 291 ? 25.889 13.591 37.811 1.00 10.50 ? 291 THR A C 1 ATOM 2222 O O . THR A 1 291 ? 25.261 14.256 38.628 1.00 8.93 ? 291 THR A O 1 ATOM 2223 C CB . THR A 1 291 ? 25.927 14.061 35.350 1.00 9.98 ? 291 THR A CB 1 ATOM 2224 O OG1 . THR A 1 291 ? 25.756 15.436 35.648 1.00 10.65 ? 291 THR A OG1 1 ATOM 2225 C CG2 . THR A 1 291 ? 25.306 13.769 33.994 1.00 10.36 ? 291 THR A CG2 1 ATOM 2226 N N . ASN A 1 292 ? 27.132 13.152 38.006 1.00 12.04 ? 292 ASN A N 1 ATOM 2227 C CA . ASN A 1 292 ? 27.795 13.235 39.297 1.00 15.80 ? 292 ASN A CA 1 ATOM 2228 C C . ASN A 1 292 ? 27.997 14.688 39.710 1.00 16.93 ? 292 ASN A C 1 ATOM 2229 O O . ASN A 1 292 ? 27.989 15.021 40.897 1.00 17.38 ? 292 ASN A O 1 ATOM 2230 C CB . ASN A 1 292 ? 29.129 12.488 39.245 1.00 18.19 ? 292 ASN A CB 1 ATOM 2231 C CG . ASN A 1 292 ? 30.123 13.147 38.307 1.00 21.91 ? 292 ASN A CG 1 ATOM 2232 O OD1 . ASN A 1 292 ? 29.856 13.356 37.141 1.00 21.20 ? 292 ASN A OD1 1 ATOM 2233 N ND2 . ASN A 1 292 ? 31.268 13.574 38.854 1.00 28.15 ? 292 ASN A ND2 1 ATOM 2234 N N . ASP A 1 293 ? 28.219 15.561 38.722 1.00 17.71 ? 293 ASP A N 1 ATOM 2235 C CA . ASP A 1 293 ? 28.481 16.977 39.007 1.00 18.74 ? 293 ASP A CA 1 ATOM 2236 C C . ASP A 1 293 ? 27.384 17.888 38.534 1.00 17.93 ? 293 ASP A C 1 ATOM 2237 O O . ASP A 1 293 ? 27.553 19.118 38.528 1.00 19.88 ? 293 ASP A O 1 ATOM 2238 C CB . ASP A 1 293 ? 29.815 17.432 38.368 1.00 20.02 ? 293 ASP A CB 1 ATOM 2239 C CG . ASP A 1 293 ? 29.856 17.287 36.825 1.00 21.13 ? 293 ASP A CG 1 ATOM 2240 O OD1 . ASP A 1 293 ? 28.794 17.063 36.166 1.00 16.39 ? 293 ASP A OD1 1 ATOM 2241 O OD2 . ASP A 1 293 ? 30.977 17.446 36.281 1.00 21.30 ? 293 ASP A OD2 1 ATOM 2242 N N . GLY A 1 294 ? 26.259 17.337 38.094 1.00 15.79 ? 294 GLY A N 1 ATOM 2243 C CA . GLY A 1 294 ? 25.187 18.207 37.692 1.00 16.39 ? 294 GLY A CA 1 ATOM 2244 C C . GLY A 1 294 ? 25.412 18.955 36.409 1.00 15.91 ? 294 GLY A C 1 ATOM 2245 O O . GLY A 1 294 ? 24.683 19.871 36.101 1.00 17.20 ? 294 GLY A O 1 ATOM 2246 N N . THR A 1 295 ? 26.391 18.536 35.623 1.00 16.47 ? 295 THR A N 1 ATOM 2247 C CA . THR A 1 295 ? 26.586 19.075 34.283 1.00 16.20 ? 295 THR A CA 1 ATOM 2248 C C . THR A 1 295 ? 26.379 18.057 33.170 1.00 16.51 ? 295 THR A C 1 ATOM 2249 O O . THR A 1 295 ? 26.382 16.858 33.401 1.00 13.19 ? 295 THR A O 1 ATOM 2250 C CB . THR A 1 295 ? 28.011 19.616 34.077 1.00 16.28 ? 295 THR A CB 1 ATOM 2251 O OG1 . THR A 1 295 ? 28.928 18.538 33.926 1.00 15.43 ? 295 THR A OG1 1 ATOM 2252 C CG2 . THR A 1 295 ? 28.425 20.429 35.251 1.00 17.76 ? 295 THR A CG2 1 ATOM 2253 N N . SER A 1 296 ? 26.202 18.603 31.963 1.00 17.39 ? 296 SER A N 1 ATOM 2254 C CA . SER A 1 296 ? 26.112 17.814 30.711 1.00 18.93 ? 296 SER A CA 1 ATOM 2255 C C . SER A 1 296 ? 27.389 17.014 30.409 1.00 18.53 ? 296 SER A C 1 ATOM 2256 O O . SER A 1 296 ? 27.349 16.055 29.618 1.00 18.75 ? 296 SER A O 1 ATOM 2257 C CB . SER A 1 296 ? 25.732 18.717 29.504 1.00 20.67 ? 296 SER A CB 1 ATOM 2258 O OG . SER A 1 296 ? 26.794 19.627 29.180 1.00 22.44 ? 296 SER A OG 1 ATOM 2259 N N . THR A 1 297 ? 28.514 17.363 31.054 1.00 16.87 ? 297 THR A N 1 ATOM 2260 C CA . THR A 1 297 ? 29.743 16.584 30.835 1.00 18.55 ? 297 THR A CA 1 ATOM 2261 C C . THR A 1 297 ? 30.206 15.718 31.987 1.00 18.46 ? 297 THR A C 1 ATOM 2262 O O . THR A 1 297 ? 31.283 15.129 31.890 1.00 19.43 ? 297 THR A O 1 ATOM 2263 C CB . THR A 1 297 ? 30.924 17.449 30.318 1.00 19.86 ? 297 THR A CB 1 ATOM 2264 O OG1 . THR A 1 297 ? 31.101 18.581 31.174 1.00 19.18 ? 297 THR A OG1 1 ATOM 2265 C CG2 . THR A 1 297 ? 30.630 17.877 28.813 1.00 21.37 ? 297 THR A CG2 1 ATOM 2266 N N . GLY A 1 298 ? 29.397 15.584 33.035 1.00 16.87 ? 298 GLY A N 1 ATOM 2267 C CA . GLY A 1 298 ? 29.727 14.663 34.095 1.00 15.82 ? 298 GLY A CA 1 ATOM 2268 C C . GLY A 1 298 ? 29.390 13.231 33.730 1.00 15.54 ? 298 GLY A C 1 ATOM 2269 O O . GLY A 1 298 ? 28.888 12.947 32.648 1.00 18.25 ? 298 GLY A O 1 ATOM 2270 N N . SER A 1 299 ? 29.682 12.300 34.632 1.00 15.59 ? 299 SER A N 1 ATOM 2271 C CA . SER A 1 299 ? 29.383 10.909 34.374 1.00 15.08 ? 299 SER A CA 1 ATOM 2272 C C . SER A 1 299 ? 27.977 10.613 34.927 1.00 14.14 ? 299 SER A C 1 ATOM 2273 O O . SER A 1 299 ? 27.530 11.269 35.837 1.00 13.63 ? 299 SER A O 1 ATOM 2274 C CB . SER A 1 299 ? 30.425 9.971 35.008 1.00 18.32 ? 299 SER A CB 1 ATOM 2275 O OG . SER A 1 299 ? 30.273 8.627 34.516 1.00 21.88 ? 299 SER A OG 1 ATOM 2276 N N . LEU A 1 300 ? 27.375 9.545 34.457 1.00 12.51 ? 300 LEU A N 1 ATOM 2277 C CA . LEU A 1 300 ? 26.039 9.159 34.851 1.00 11.83 ? 300 LEU A CA 1 ATOM 2278 C C . LEU A 1 300 ? 26.060 8.537 36.245 1.00 11.45 ? 300 LEU A C 1 ATOM 2279 O O . LEU A 1 300 ? 26.709 7.497 36.481 1.00 13.69 ? 300 LEU A O 1 ATOM 2280 C CB . LEU A 1 300 ? 25.480 8.119 33.877 1.00 12.16 ? 300 LEU A CB 1 ATOM 2281 C CG . LEU A 1 300 ? 24.055 7.637 34.166 1.00 11.30 ? 300 LEU A CG 1 ATOM 2282 C CD1 . LEU A 1 300 ? 23.030 8.770 34.045 1.00 12.30 ? 300 LEU A CD1 1 ATOM 2283 C CD2 . LEU A 1 300 ? 23.774 6.459 33.222 1.00 11.07 ? 300 LEU A CD2 1 ATOM 2284 N N A SER A 1 301 ? 25.364 9.201 37.160 0.47 10.58 ? 301 SER A N 1 ATOM 2285 N N B SER A 1 301 ? 25.365 9.199 37.148 0.53 10.63 ? 301 SER A N 1 ATOM 2286 C CA A SER A 1 301 ? 25.252 8.825 38.556 0.47 10.38 ? 301 SER A CA 1 ATOM 2287 C CA B SER A 1 301 ? 25.213 8.813 38.523 0.53 10.55 ? 301 SER A CA 1 ATOM 2288 C C A SER A 1 301 ? 23.908 8.174 38.949 0.47 10.57 ? 301 SER A C 1 ATOM 2289 C C B SER A 1 301 ? 23.937 8.020 38.785 0.53 10.57 ? 301 SER A C 1 ATOM 2290 O O A SER A 1 301 ? 23.856 7.388 39.913 0.47 9.84 ? 301 SER A O 1 ATOM 2291 O O B SER A 1 301 ? 23.955 6.999 39.481 0.53 9.73 ? 301 SER A O 1 ATOM 2292 C CB A SER A 1 301 ? 25.528 10.072 39.445 0.47 10.46 ? 301 SER A CB 1 ATOM 2293 C CB B SER A 1 301 ? 25.176 10.097 39.367 0.53 10.90 ? 301 SER A CB 1 ATOM 2294 O OG A SER A 1 301 ? 24.636 11.152 39.187 0.47 10.16 ? 301 SER A OG 1 ATOM 2295 O OG B SER A 1 301 ? 24.884 9.826 40.718 0.53 11.33 ? 301 SER A OG 1 ATOM 2296 N N . GLU A 1 302 ? 22.826 8.508 38.240 1.00 10.32 ? 302 GLU A N 1 ATOM 2297 C CA . GLU A 1 302 ? 21.504 7.979 38.595 1.00 11.35 ? 302 GLU A CA 1 ATOM 2298 C C . GLU A 1 302 ? 20.489 8.193 37.483 1.00 10.12 ? 302 GLU A C 1 ATOM 2299 O O . GLU A 1 302 ? 20.507 9.208 36.792 1.00 9.87 ? 302 GLU A O 1 ATOM 2300 C CB . GLU A 1 302 ? 21.086 8.714 39.863 1.00 13.24 ? 302 GLU A CB 1 ATOM 2301 C CG . GLU A 1 302 ? 19.825 8.314 40.505 1.00 16.82 ? 302 GLU A CG 1 ATOM 2302 C CD . GLU A 1 302 ? 19.789 8.924 41.925 1.00 20.33 ? 302 GLU A CD 1 ATOM 2303 O OE1 . GLU A 1 302 ? 20.724 8.616 42.724 1.00 28.19 ? 302 GLU A OE1 1 ATOM 2304 O OE2 . GLU A 1 302 ? 18.894 9.700 42.233 1.00 20.99 ? 302 GLU A OE2 1 ATOM 2305 N N . ILE A 1 303 ? 19.654 7.186 37.273 1.00 8.43 ? 303 ILE A N 1 ATOM 2306 C CA . ILE A 1 303 ? 18.551 7.298 36.363 1.00 8.15 ? 303 ILE A CA 1 ATOM 2307 C C . ILE A 1 303 ? 17.323 7.353 37.307 1.00 7.87 ? 303 ILE A C 1 ATOM 2308 O O . ILE A 1 303 ? 17.097 6.425 38.121 1.00 8.17 ? 303 ILE A O 1 ATOM 2309 C CB . ILE A 1 303 ? 18.433 6.105 35.367 1.00 7.70 ? 303 ILE A CB 1 ATOM 2310 C CG1 . ILE A 1 303 ? 19.734 5.970 34.535 1.00 8.03 ? 303 ILE A CG1 1 ATOM 2311 C CG2 . ILE A 1 303 ? 17.206 6.289 34.464 1.00 7.10 ? 303 ILE A CG2 1 ATOM 2312 C CD1 . ILE A 1 303 ? 19.861 4.739 33.619 1.00 8.26 ? 303 ILE A CD1 1 ATOM 2313 N N . ARG A 1 304 ? 16.503 8.371 37.090 1.00 7.37 ? 304 ARG A N 1 ATOM 2314 C CA . ARG A 1 304 ? 15.254 8.546 37.793 1.00 7.41 ? 304 ARG A CA 1 ATOM 2315 C C . ARG A 1 304 ? 14.060 8.491 36.875 1.00 7.18 ? 304 ARG A C 1 ATOM 2316 O O . ARG A 1 304 ? 14.185 8.739 35.653 1.00 6.52 ? 304 ARG A O 1 ATOM 2317 C CB . ARG A 1 304 ? 15.212 9.861 38.568 1.00 8.07 ? 304 ARG A CB 1 ATOM 2318 C CG . ARG A 1 304 ? 16.383 10.080 39.496 1.00 9.12 ? 304 ARG A CG 1 ATOM 2319 C CD . ARG A 1 304 ? 16.301 11.466 40.139 1.00 10.53 ? 304 ARG A CD 1 ATOM 2320 N NE . ARG A 1 304 ? 17.441 11.603 41.037 1.00 12.33 ? 304 ARG A NE 1 ATOM 2321 C CZ . ARG A 1 304 ? 17.858 12.709 41.642 1.00 14.57 ? 304 ARG A CZ 1 ATOM 2322 N NH1 . ARG A 1 304 ? 18.914 12.621 42.439 1.00 15.42 ? 304 ARG A NH1 1 ATOM 2323 N NH2 . ARG A 1 304 ? 17.242 13.847 41.477 1.00 16.16 ? 304 ARG A NH2 1 ATOM 2324 N N . ARG A 1 305 ? 12.913 8.154 37.464 1.00 6.81 ? 305 ARG A N 1 ATOM 2325 C CA . ARG A 1 305 ? 11.743 7.852 36.666 1.00 7.28 ? 305 ARG A CA 1 ATOM 2326 C C . ARG A 1 305 ? 10.469 8.242 37.403 1.00 7.35 ? 305 ARG A C 1 ATOM 2327 O O . ARG A 1 305 ? 10.356 7.998 38.605 1.00 7.55 ? 305 ARG A O 1 ATOM 2328 C CB . ARG A 1 305 ? 11.709 6.317 36.395 1.00 7.07 ? 305 ARG A CB 1 ATOM 2329 C CG . ARG A 1 305 ? 10.349 5.799 35.903 1.00 6.82 ? 305 ARG A CG 1 ATOM 2330 C CD . ARG A 1 305 ? 9.938 6.345 34.546 1.00 6.66 ? 305 ARG A CD 1 ATOM 2331 N NE . ARG A 1 305 ? 10.858 6.108 33.402 1.00 6.75 ? 305 ARG A NE 1 ATOM 2332 C CZ . ARG A 1 305 ? 11.027 4.930 32.780 1.00 7.15 ? 305 ARG A CZ 1 ATOM 2333 N NH1 . ARG A 1 305 ? 11.834 4.872 31.722 1.00 6.99 ? 305 ARG A NH1 1 ATOM 2334 N NH2 . ARG A 1 305 ? 10.336 3.819 33.130 1.00 7.40 ? 305 ARG A NH2 1 ATOM 2335 N N . TYR A 1 306 ? 9.529 8.850 36.689 1.00 7.81 ? 306 TYR A N 1 ATOM 2336 C CA . TYR A 1 306 ? 8.135 8.879 37.145 1.00 7.46 ? 306 TYR A CA 1 ATOM 2337 C C . TYR A 1 306 ? 7.143 8.816 35.992 1.00 7.48 ? 306 TYR A C 1 ATOM 2338 O O . TYR A 1 306 ? 7.540 8.799 34.828 1.00 7.19 ? 306 TYR A O 1 ATOM 2339 C CB . TYR A 1 306 ? 7.848 10.085 38.086 1.00 7.98 ? 306 TYR A CB 1 ATOM 2340 C CG . TYR A 1 306 ? 7.850 11.429 37.433 1.00 7.71 ? 306 TYR A CG 1 ATOM 2341 C CD1 . TYR A 1 306 ? 9.043 12.139 37.287 1.00 8.16 ? 306 TYR A CD1 1 ATOM 2342 C CD2 . TYR A 1 306 ? 6.692 11.982 36.920 1.00 8.66 ? 306 TYR A CD2 1 ATOM 2343 C CE1 . TYR A 1 306 ? 9.052 13.348 36.678 1.00 8.60 ? 306 TYR A CE1 1 ATOM 2344 C CE2 . TYR A 1 306 ? 6.715 13.205 36.290 1.00 8.99 ? 306 TYR A CE2 1 ATOM 2345 C CZ . TYR A 1 306 ? 7.897 13.883 36.175 1.00 9.00 ? 306 TYR A CZ 1 ATOM 2346 O OH . TYR A 1 306 ? 8.011 15.154 35.582 1.00 8.97 ? 306 TYR A OH 1 ATOM 2347 N N . TYR A 1 307 ? 5.857 8.748 36.335 1.00 7.24 ? 307 TYR A N 1 ATOM 2348 C CA . TYR A 1 307 ? 4.808 8.514 35.369 1.00 7.57 ? 307 TYR A CA 1 ATOM 2349 C C . TYR A 1 307 ? 3.751 9.587 35.568 1.00 7.79 ? 307 TYR A C 1 ATOM 2350 O O . TYR A 1 307 ? 3.651 10.161 36.696 1.00 7.28 ? 307 TYR A O 1 ATOM 2351 C CB . TYR A 1 307 ? 4.137 7.093 35.498 1.00 7.61 ? 307 TYR A CB 1 ATOM 2352 C CG . TYR A 1 307 ? 5.181 5.960 35.497 1.00 7.91 ? 307 TYR A CG 1 ATOM 2353 C CD1 . TYR A 1 307 ? 5.821 5.605 36.654 1.00 7.89 ? 307 TYR A CD1 1 ATOM 2354 C CD2 . TYR A 1 307 ? 5.529 5.293 34.309 1.00 8.22 ? 307 TYR A CD2 1 ATOM 2355 C CE1 . TYR A 1 307 ? 6.796 4.581 36.665 1.00 9.12 ? 307 TYR A CE1 1 ATOM 2356 C CE2 . TYR A 1 307 ? 6.506 4.336 34.314 1.00 8.67 ? 307 TYR A CE2 1 ATOM 2357 C CZ . TYR A 1 307 ? 7.128 3.985 35.485 1.00 9.04 ? 307 TYR A CZ 1 ATOM 2358 O OH . TYR A 1 307 ? 8.080 3.023 35.538 1.00 10.73 ? 307 TYR A OH 1 ATOM 2359 N N . VAL A 1 308 ? 3.004 9.904 34.498 1.00 7.83 ? 308 VAL A N 1 ATOM 2360 C CA . VAL A 1 308 ? 1.844 10.772 34.663 1.00 8.58 ? 308 VAL A CA 1 ATOM 2361 C C . VAL A 1 308 ? 0.652 10.102 33.973 1.00 9.01 ? 308 VAL A C 1 ATOM 2362 O O . VAL A 1 308 ? 0.801 9.617 32.874 1.00 8.77 ? 308 VAL A O 1 ATOM 2363 C CB . VAL A 1 308 ? 2.103 12.182 34.074 1.00 9.27 ? 308 VAL A CB 1 ATOM 2364 C CG1 . VAL A 1 308 ? 0.934 13.093 34.352 1.00 9.75 ? 308 VAL A CG1 1 ATOM 2365 C CG2 . VAL A 1 308 ? 3.350 12.800 34.643 1.00 9.81 ? 308 VAL A CG2 1 ATOM 2366 N N . GLN A 1 309 ? -0.508 10.002 34.643 1.00 9.59 ? 309 GLN A N 1 ATOM 2367 C CA . GLN A 1 309 ? -1.676 9.421 33.987 1.00 10.39 ? 309 GLN A CA 1 ATOM 2368 C C . GLN A 1 309 ? -2.903 10.190 34.450 1.00 12.76 ? 309 GLN A C 1 ATOM 2369 O O . GLN A 1 309 ? -3.078 10.412 35.651 1.00 11.75 ? 309 GLN A O 1 ATOM 2370 C CB . GLN A 1 309 ? -1.825 7.919 34.292 1.00 9.95 ? 309 GLN A CB 1 ATOM 2371 C CG . GLN A 1 309 ? -2.862 7.249 33.389 1.00 9.55 ? 309 GLN A CG 1 ATOM 2372 C CD . GLN A 1 309 ? -2.859 5.741 33.437 1.00 10.07 ? 309 GLN A CD 1 ATOM 2373 O OE1 . GLN A 1 309 ? -2.829 5.111 34.515 1.00 9.67 ? 309 GLN A OE1 1 ATOM 2374 N NE2 . GLN A 1 309 ? -2.912 5.137 32.258 1.00 10.28 ? 309 GLN A NE2 1 ATOM 2375 N N A ASN A 1 310 ? -3.722 10.629 33.505 0.57 14.88 ? 310 ASN A N 1 ATOM 2376 N N B ASN A 1 310 ? -3.717 10.611 33.493 0.43 14.08 ? 310 ASN A N 1 ATOM 2377 C CA A ASN A 1 310 ? -4.903 11.442 33.846 0.57 18.10 ? 310 ASN A CA 1 ATOM 2378 C CA B ASN A 1 310 ? -4.885 11.436 33.796 0.43 16.52 ? 310 ASN A CA 1 ATOM 2379 C C A ASN A 1 310 ? -4.451 12.681 34.624 0.57 18.49 ? 310 ASN A C 1 ATOM 2380 C C B ASN A 1 310 ? -4.451 12.661 34.604 0.43 17.42 ? 310 ASN A C 1 ATOM 2381 O O A ASN A 1 310 ? -5.109 13.147 35.549 0.57 20.32 ? 310 ASN A O 1 ATOM 2382 O O B ASN A 1 310 ? -5.126 13.088 35.534 0.43 18.92 ? 310 ASN A O 1 ATOM 2383 C CB A ASN A 1 310 ? -5.903 10.579 34.641 0.57 20.23 ? 310 ASN A CB 1 ATOM 2384 C CB B ASN A 1 310 ? -5.922 10.597 34.553 0.43 17.27 ? 310 ASN A CB 1 ATOM 2385 C CG A ASN A 1 310 ? -6.426 9.410 33.834 0.57 21.75 ? 310 ASN A CG 1 ATOM 2386 C CG B ASN A 1 310 ? -7.233 11.333 34.725 0.43 18.06 ? 310 ASN A CG 1 ATOM 2387 O OD1 A ASN A 1 310 ? -6.816 9.574 32.674 0.57 26.18 ? 310 ASN A OD1 1 ATOM 2388 O OD1 B ASN A 1 310 ? -7.588 12.149 33.892 0.43 18.57 ? 310 ASN A OD1 1 ATOM 2389 N ND2 A ASN A 1 310 ? -6.409 8.212 34.423 0.57 24.13 ? 310 ASN A ND2 1 ATOM 2390 N ND2 B ASN A 1 310 ? -7.936 11.054 35.809 0.43 17.83 ? 310 ASN A ND2 1 ATOM 2391 N N . GLY A 1 311 ? -3.285 13.194 34.257 1.00 17.58 ? 311 GLY A N 1 ATOM 2392 C CA . GLY A 1 311 ? -2.729 14.370 34.910 1.00 18.43 ? 311 GLY A CA 1 ATOM 2393 C C . GLY A 1 311 ? -2.154 14.201 36.311 1.00 18.57 ? 311 GLY A C 1 ATOM 2394 O O . GLY A 1 311 ? -1.732 15.205 36.899 1.00 19.49 ? 311 GLY A O 1 ATOM 2395 N N . VAL A 1 312 ? -2.134 12.961 36.835 1.00 17.71 ? 312 VAL A N 1 ATOM 2396 C CA . VAL A 1 312 ? -1.672 12.676 38.159 1.00 15.86 ? 312 VAL A CA 1 ATOM 2397 C C . VAL A 1 312 ? -0.246 12.117 38.056 1.00 13.33 ? 312 VAL A C 1 ATOM 2398 O O . VAL A 1 312 ? -0.013 11.173 37.339 1.00 11.15 ? 312 VAL A O 1 ATOM 2399 C CB . VAL A 1 312 ? -2.589 11.681 38.855 1.00 18.44 ? 312 VAL A CB 1 ATOM 2400 C CG1 . VAL A 1 312 ? -2.050 11.283 40.217 1.00 20.05 ? 312 VAL A CG1 1 ATOM 2401 C CG2 . VAL A 1 312 ? -3.992 12.274 38.991 1.00 19.69 ? 312 VAL A CG2 1 ATOM 2402 N N . VAL A 1 313 ? 0.672 12.745 38.786 1.00 11.66 ? 313 VAL A N 1 ATOM 2403 C CA . VAL A 1 313 ? 2.049 12.269 38.924 1.00 11.33 ? 313 VAL A CA 1 ATOM 2404 C C . VAL A 1 313 ? 2.065 11.045 39.820 1.00 11.48 ? 313 VAL A C 1 ATOM 2405 O O . VAL A 1 313 ? 1.507 11.010 40.929 1.00 12.33 ? 313 VAL A O 1 ATOM 2406 C CB . VAL A 1 313 ? 2.998 13.365 39.474 1.00 11.31 ? 313 VAL A CB 1 ATOM 2407 C CG1 . VAL A 1 313 ? 4.362 12.771 39.877 1.00 11.74 ? 313 VAL A CG1 1 ATOM 2408 C CG2 . VAL A 1 313 ? 3.203 14.465 38.438 1.00 12.77 ? 313 VAL A CG2 1 ATOM 2409 N N . ILE A 1 314 ? 2.700 10.015 39.317 1.00 10.39 ? 314 ILE A N 1 ATOM 2410 C CA . ILE A 1 314 ? 2.820 8.707 39.963 1.00 10.16 ? 314 ILE A CA 1 ATOM 2411 C C . ILE A 1 314 ? 4.348 8.343 40.106 1.00 11.47 ? 314 ILE A C 1 ATOM 2412 O O . ILE A 1 314 ? 5.045 8.203 39.092 1.00 10.84 ? 314 ILE A O 1 ATOM 2413 C CB . ILE A 1 314 ? 2.162 7.634 39.088 1.00 9.13 ? 314 ILE A CB 1 ATOM 2414 C CG1 . ILE A 1 314 ? 0.648 7.910 38.930 1.00 8.91 ? 314 ILE A CG1 1 ATOM 2415 C CG2 . ILE A 1 314 ? 2.356 6.238 39.675 1.00 9.51 ? 314 ILE A CG2 1 ATOM 2416 C CD1 . ILE A 1 314 ? -0.025 7.230 37.754 1.00 9.30 ? 314 ILE A CD1 1 ATOM 2417 N N . PRO A 1 315 ? 4.859 8.242 41.330 1.00 12.00 ? 315 PRO A N 1 ATOM 2418 C CA . PRO A 1 315 ? 6.272 7.900 41.433 1.00 12.79 ? 315 PRO A CA 1 ATOM 2419 C C . PRO A 1 315 ? 6.610 6.459 41.009 1.00 11.17 ? 315 PRO A C 1 ATOM 2420 O O . PRO A 1 315 ? 5.797 5.560 41.103 1.00 9.59 ? 315 PRO A O 1 ATOM 2421 C CB . PRO A 1 315 ? 6.598 8.078 42.954 1.00 13.76 ? 315 PRO A CB 1 ATOM 2422 C CG . PRO A 1 315 ? 5.399 8.716 43.561 1.00 14.51 ? 315 PRO A CG 1 ATOM 2423 C CD . PRO A 1 315 ? 4.231 8.351 42.675 1.00 14.53 ? 315 PRO A CD 1 ATOM 2424 N N . GLN A 1 316 ? 7.879 6.278 40.659 1.00 10.48 ? 316 GLN A N 1 ATOM 2425 C CA . GLN A 1 316 ? 8.461 4.945 40.492 1.00 9.66 ? 316 GLN A CA 1 ATOM 2426 C C . GLN A 1 316 ? 8.454 4.329 41.893 1.00 9.26 ? 316 GLN A C 1 ATOM 2427 O O . GLN A 1 316 ? 8.929 4.952 42.850 1.00 8.82 ? 316 GLN A O 1 ATOM 2428 C CB . GLN A 1 316 ? 9.882 5.022 39.940 1.00 9.55 ? 316 GLN A CB 1 ATOM 2429 C CG . GLN A 1 316 ? 10.548 3.669 39.771 1.00 9.57 ? 316 GLN A CG 1 ATOM 2430 C CD . GLN A 1 316 ? 10.222 3.074 38.443 1.00 9.71 ? 316 GLN A CD 1 ATOM 2431 O OE1 . GLN A 1 316 ? 9.034 2.892 38.097 1.00 9.88 ? 316 GLN A OE1 1 ATOM 2432 N NE2 . GLN A 1 316 ? 11.252 2.816 37.667 1.00 9.10 ? 316 GLN A NE2 1 ATOM 2433 N N . PRO A 1 317 ? 7.928 3.109 42.002 1.00 8.91 ? 317 PRO A N 1 ATOM 2434 C CA . PRO A 1 317 ? 7.884 2.518 43.319 1.00 9.17 ? 317 PRO A CA 1 ATOM 2435 C C . PRO A 1 317 ? 9.221 1.967 43.741 1.00 9.05 ? 317 PRO A C 1 ATOM 2436 O O . PRO A 1 317 ? 10.088 1.677 42.913 1.00 8.84 ? 317 PRO A O 1 ATOM 2437 C CB . PRO A 1 317 ? 6.853 1.389 43.127 1.00 9.40 ? 317 PRO A CB 1 ATOM 2438 C CG . PRO A 1 317 ? 7.146 0.903 41.763 1.00 9.27 ? 317 PRO A CG 1 ATOM 2439 C CD . PRO A 1 317 ? 7.234 2.225 41.031 1.00 9.04 ? 317 PRO A CD 1 ATOM 2440 N N . SER A 1 318 ? 9.405 1.843 45.045 1.00 9.87 ? 318 SER A N 1 ATOM 2441 C CA . SER A 1 318 ? 10.676 1.383 45.570 1.00 9.91 ? 318 SER A CA 1 ATOM 2442 C C . SER A 1 318 ? 10.672 -0.152 45.647 1.00 9.69 ? 318 SER A C 1 ATOM 2443 O O . SER A 1 318 ? 9.622 -0.783 45.780 1.00 9.40 ? 318 SER A O 1 ATOM 2444 C CB . SER A 1 318 ? 10.929 1.995 46.941 1.00 11.74 ? 318 SER A CB 1 ATOM 2445 O OG . SER A 1 318 ? 11.144 3.419 46.790 1.00 14.77 ? 318 SER A OG 1 ATOM 2446 N N . SER A 1 319 ? 11.837 -0.722 45.567 1.00 9.62 ? 319 SER A N 1 ATOM 2447 C CA . SER A 1 319 ? 12.018 -2.169 45.631 1.00 10.71 ? 319 SER A CA 1 ATOM 2448 C C . SER A 1 319 ? 11.483 -2.737 46.965 1.00 11.27 ? 319 SER A C 1 ATOM 2449 O O . SER A 1 319 ? 11.642 -2.133 48.016 1.00 11.60 ? 319 SER A O 1 ATOM 2450 C CB . SER A 1 319 ? 13.487 -2.532 45.504 1.00 11.11 ? 319 SER A CB 1 ATOM 2451 O OG . SER A 1 319 ? 13.747 -3.868 45.944 1.00 12.27 ? 319 SER A OG 1 ATOM 2452 N N A LYS A 1 320 ? 10.808 -3.871 46.860 0.46 12.07 ? 320 LYS A N 1 ATOM 2453 N N B LYS A 1 320 ? 10.805 -3.866 46.849 0.54 11.91 ? 320 LYS A N 1 ATOM 2454 C CA A LYS A 1 320 ? 10.366 -4.652 48.012 0.46 12.84 ? 320 LYS A CA 1 ATOM 2455 C CA B LYS A 1 320 ? 10.343 -4.646 47.988 0.54 12.58 ? 320 LYS A CA 1 ATOM 2456 C C A LYS A 1 320 ? 11.197 -5.939 48.192 0.46 12.65 ? 320 LYS A C 1 ATOM 2457 C C B LYS A 1 320 ? 11.259 -5.859 48.278 0.54 12.37 ? 320 LYS A C 1 ATOM 2458 O O A LYS A 1 320 ? 10.827 -6.818 48.980 0.46 13.06 ? 320 LYS A O 1 ATOM 2459 O O B LYS A 1 320 ? 11.032 -6.573 49.268 0.54 12.28 ? 320 LYS A O 1 ATOM 2460 C CB A LYS A 1 320 ? 8.888 -4.959 47.863 0.46 13.04 ? 320 LYS A CB 1 ATOM 2461 C CB B LYS A 1 320 ? 8.901 -5.055 47.753 0.54 12.67 ? 320 LYS A CB 1 ATOM 2462 C CG A LYS A 1 320 ? 7.990 -3.801 48.215 0.46 13.66 ? 320 LYS A CG 1 ATOM 2463 C CG B LYS A 1 320 ? 7.918 -3.933 47.974 0.54 13.02 ? 320 LYS A CG 1 ATOM 2464 C CD A LYS A 1 320 ? 6.514 -4.188 48.155 0.46 14.92 ? 320 LYS A CD 1 ATOM 2465 C CD B LYS A 1 320 ? 6.499 -4.300 47.507 0.54 13.81 ? 320 LYS A CD 1 ATOM 2466 C CE A LYS A 1 320 ? 5.636 -2.946 48.230 0.46 15.26 ? 320 LYS A CE 1 ATOM 2467 C CE B LYS A 1 320 ? 5.773 -5.157 48.529 0.54 14.48 ? 320 LYS A CE 1 ATOM 2468 N NZ A LYS A 1 320 ? 4.203 -3.310 48.286 0.46 16.78 ? 320 LYS A NZ 1 ATOM 2469 N NZ B LYS A 1 320 ? 4.320 -5.363 48.229 0.54 15.83 ? 320 LYS A NZ 1 ATOM 2470 N N . ILE A 1 321 ? 12.311 -6.058 47.473 1.00 12.07 ? 321 ILE A N 1 ATOM 2471 C CA . ILE A 1 321 ? 13.200 -7.211 47.631 1.00 13.13 ? 321 ILE A CA 1 ATOM 2472 C C . ILE A 1 321 ? 14.196 -6.886 48.721 1.00 12.98 ? 321 ILE A C 1 ATOM 2473 O O . ILE A 1 321 ? 14.948 -5.920 48.611 1.00 11.73 ? 321 ILE A O 1 ATOM 2474 C CB . ILE A 1 321 ? 13.982 -7.551 46.334 1.00 14.86 ? 321 ILE A CB 1 ATOM 2475 C CG1 . ILE A 1 321 ? 13.044 -7.651 45.127 1.00 15.75 ? 321 ILE A CG1 1 ATOM 2476 C CG2 . ILE A 1 321 ? 14.830 -8.795 46.486 1.00 15.50 ? 321 ILE A CG2 1 ATOM 2477 C CD1 . ILE A 1 321 ? 11.912 -8.688 45.259 1.00 15.86 ? 321 ILE A CD1 1 ATOM 2478 N N . SER A 1 322 ? 14.262 -7.731 49.742 1.00 13.31 ? 322 SER A N 1 ATOM 2479 C CA . SER A 1 322 ? 15.343 -7.631 50.724 1.00 13.48 ? 322 SER A CA 1 ATOM 2480 C C . SER A 1 322 ? 16.725 -7.663 50.051 1.00 12.59 ? 322 SER A C 1 ATOM 2481 O O . SER A 1 322 ? 17.070 -8.593 49.323 1.00 13.49 ? 322 SER A O 1 ATOM 2482 C CB . SER A 1 322 ? 15.234 -8.827 51.708 1.00 15.29 ? 322 SER A CB 1 ATOM 2483 O OG . SER A 1 322 ? 16.240 -8.740 52.668 1.00 16.71 ? 322 SER A OG 1 ATOM 2484 N N . GLY A 1 323 ? 17.517 -6.641 50.302 1.00 11.56 ? 323 GLY A N 1 ATOM 2485 C CA . GLY A 1 323 ? 18.858 -6.567 49.704 1.00 11.99 ? 323 GLY A CA 1 ATOM 2486 C C . GLY A 1 323 ? 18.940 -5.527 48.610 1.00 11.59 ? 323 GLY A C 1 ATOM 2487 O O . GLY A 1 323 ? 20.051 -5.091 48.248 1.00 11.30 ? 323 GLY A O 1 ATOM 2488 N N . ILE A 1 324 ? 17.774 -5.096 48.092 1.00 10.40 ? 324 ILE A N 1 ATOM 2489 C CA . ILE A 1 324 ? 17.727 -4.082 47.004 1.00 10.89 ? 324 ILE A CA 1 ATOM 2490 C C . ILE A 1 324 ? 16.779 -2.990 47.443 1.00 11.11 ? 324 ILE A C 1 ATOM 2491 O O . ILE A 1 324 ? 15.654 -3.277 47.782 1.00 12.21 ? 324 ILE A O 1 ATOM 2492 C CB . ILE A 1 324 ? 17.197 -4.663 45.662 1.00 10.94 ? 324 ILE A CB 1 ATOM 2493 C CG1 . ILE A 1 324 ? 18.010 -5.904 45.272 1.00 11.16 ? 324 ILE A CG1 1 ATOM 2494 C CG2 . ILE A 1 324 ? 17.227 -3.586 44.547 1.00 10.48 ? 324 ILE A CG2 1 ATOM 2495 C CD1 . ILE A 1 324 ? 17.561 -6.601 44.017 1.00 11.07 ? 324 ILE A CD1 1 ATOM 2496 N N . SER A 1 325 ? 17.291 -1.740 47.507 1.00 12.29 ? 325 SER A N 1 ATOM 2497 C CA . SER A 1 325 ? 16.538 -0.569 47.956 1.00 13.02 ? 325 SER A CA 1 ATOM 2498 C C . SER A 1 325 ? 16.292 0.531 46.900 1.00 12.08 ? 325 SER A C 1 ATOM 2499 O O . SER A 1 325 ? 17.061 0.707 45.986 1.00 11.67 ? 325 SER A O 1 ATOM 2500 C CB . SER A 1 325 ? 17.297 0.104 49.077 1.00 14.04 ? 325 SER A CB 1 ATOM 2501 O OG . SER A 1 325 ? 17.322 -0.785 50.148 1.00 19.48 ? 325 SER A OG 1 ATOM 2502 N N . GLY A 1 326 ? 15.218 1.274 47.109 1.00 10.76 ? 326 GLY A N 1 ATOM 2503 C CA . GLY A 1 326 ? 14.977 2.454 46.387 1.00 10.54 ? 326 GLY A CA 1 ATOM 2504 C C . GLY A 1 326 ? 14.247 2.336 45.083 1.00 9.49 ? 326 GLY A C 1 ATOM 2505 O O . GLY A 1 326 ? 13.821 1.247 44.652 1.00 9.88 ? 326 GLY A O 1 ATOM 2506 N N . ASN A 1 327 ? 14.097 3.503 44.445 1.00 8.14 ? 327 ASN A N 1 ATOM 2507 C CA . ASN A 1 327 ? 13.356 3.631 43.179 1.00 8.17 ? 327 ASN A CA 1 ATOM 2508 C C . ASN A 1 327 ? 14.160 4.265 42.030 1.00 8.31 ? 327 ASN A C 1 ATOM 2509 O O . ASN A 1 327 ? 13.596 4.815 41.078 1.00 8.13 ? 327 ASN A O 1 ATOM 2510 C CB . ASN A 1 327 ? 12.032 4.393 43.416 1.00 7.88 ? 327 ASN A CB 1 ATOM 2511 C CG . ASN A 1 327 ? 12.234 5.879 43.560 1.00 7.79 ? 327 ASN A CG 1 ATOM 2512 O OD1 . ASN A 1 327 ? 13.372 6.364 43.904 1.00 7.83 ? 327 ASN A OD1 1 ATOM 2513 N ND2 . ASN A 1 327 ? 11.153 6.644 43.303 1.00 7.80 ? 327 ASN A ND2 1 ATOM 2514 N N . VAL A 1 328 ? 15.496 4.196 42.119 1.00 9.02 ? 328 VAL A N 1 ATOM 2515 C CA . VAL A 1 328 ? 16.368 4.747 41.097 1.00 9.15 ? 328 VAL A CA 1 ATOM 2516 C C . VAL A 1 328 ? 17.378 3.693 40.680 1.00 9.34 ? 328 VAL A C 1 ATOM 2517 O O . VAL A 1 328 ? 17.587 2.678 41.373 1.00 11.70 ? 328 VAL A O 1 ATOM 2518 C CB . VAL A 1 328 ? 17.143 6.004 41.555 1.00 9.42 ? 328 VAL A CB 1 ATOM 2519 C CG1 . VAL A 1 328 ? 16.191 7.118 41.969 1.00 9.02 ? 328 VAL A CG1 1 ATOM 2520 C CG2 . VAL A 1 328 ? 18.047 5.641 42.754 1.00 10.72 ? 328 VAL A CG2 1 ATOM 2521 N N . ILE A 1 329 ? 18.008 3.928 39.538 1.00 8.91 ? 329 ILE A N 1 ATOM 2522 C CA . ILE A 1 329 ? 19.132 3.129 39.147 1.00 9.17 ? 329 ILE A CA 1 ATOM 2523 C C . ILE A 1 329 ? 20.415 3.946 39.431 1.00 9.53 ? 329 ILE A C 1 ATOM 2524 O O . ILE A 1 329 ? 20.590 5.026 38.891 1.00 9.11 ? 329 ILE A O 1 ATOM 2525 C CB . ILE A 1 329 ? 19.080 2.729 37.638 1.00 9.30 ? 329 ILE A CB 1 ATOM 2526 C CG1 . ILE A 1 329 ? 17.881 1.811 37.358 1.00 9.04 ? 329 ILE A CG1 1 ATOM 2527 C CG2 . ILE A 1 329 ? 20.431 2.065 37.259 1.00 9.58 ? 329 ILE A CG2 1 ATOM 2528 C CD1 . ILE A 1 329 ? 17.796 1.377 35.886 1.00 9.76 ? 329 ILE A CD1 1 ATOM 2529 N N . ASN A 1 330 ? 21.288 3.414 40.262 1.00 8.99 ? 330 ASN A N 1 ATOM 2530 C CA . ASN A 1 330 ? 22.531 4.093 40.601 1.00 9.60 ? 330 ASN A CA 1 ATOM 2531 C C . ASN A 1 330 ? 23.526 3.032 40.937 1.00 9.30 ? 330 ASN A C 1 ATOM 2532 O O . ASN A 1 330 ? 23.201 1.864 40.863 1.00 8.78 ? 330 ASN A O 1 ATOM 2533 C CB . ASN A 1 330 ? 22.333 5.142 41.669 1.00 10.18 ? 330 ASN A CB 1 ATOM 2534 C CG . ASN A 1 330 ? 21.829 4.600 43.009 1.00 11.76 ? 330 ASN A CG 1 ATOM 2535 O OD1 . ASN A 1 330 ? 21.807 3.391 43.300 1.00 11.62 ? 330 ASN A OD1 1 ATOM 2536 N ND2 . ASN A 1 330 ? 21.429 5.556 43.879 1.00 14.14 ? 330 ASN A ND2 1 ATOM 2537 N N A SER A 1 331 ? 24.752 3.398 41.287 0.43 9.74 ? 331 SER A N 1 ATOM 2538 N N B SER A 1 331 ? 24.743 3.432 41.296 0.57 9.39 ? 331 SER A N 1 ATOM 2539 C CA A SER A 1 331 ? 25.768 2.360 41.554 0.43 10.53 ? 331 SER A CA 1 ATOM 2540 C CA B SER A 1 331 ? 25.810 2.454 41.603 0.57 10.10 ? 331 SER A CA 1 ATOM 2541 C C A SER A 1 331 ? 25.372 1.406 42.695 0.43 10.65 ? 331 SER A C 1 ATOM 2542 C C B SER A 1 331 ? 25.381 1.442 42.685 0.57 10.32 ? 331 SER A C 1 ATOM 2543 O O A SER A 1 331 ? 25.595 0.188 42.587 0.43 10.84 ? 331 SER A O 1 ATOM 2544 O O B SER A 1 331 ? 25.580 0.224 42.517 0.57 10.53 ? 331 SER A O 1 ATOM 2545 C CB A SER A 1 331 ? 27.158 2.983 41.778 0.43 10.93 ? 331 SER A CB 1 ATOM 2546 C CB B SER A 1 331 ? 27.141 3.185 41.953 0.57 10.22 ? 331 SER A CB 1 ATOM 2547 O OG A SER A 1 331 ? 27.816 3.149 40.530 0.43 12.01 ? 331 SER A OG 1 ATOM 2548 O OG B SER A 1 331 ? 27.102 3.817 43.225 0.57 11.09 ? 331 SER A OG 1 ATOM 2549 N N . ASP A 1 332 ? 24.759 1.933 43.754 1.00 11.04 ? 332 ASP A N 1 ATOM 2550 C CA . ASP A 1 332 ? 24.313 1.103 44.868 1.00 11.89 ? 332 ASP A CA 1 ATOM 2551 C C . ASP A 1 332 ? 23.265 0.132 44.444 1.00 11.15 ? 332 ASP A C 1 ATOM 2552 O O . ASP A 1 332 ? 23.353 -1.049 44.803 1.00 11.53 ? 332 ASP A O 1 ATOM 2553 C CB . ASP A 1 332 ? 23.732 1.909 46.037 1.00 15.21 ? 332 ASP A CB 1 ATOM 2554 C CG . ASP A 1 332 ? 24.798 2.708 46.797 1.00 20.48 ? 332 ASP A CG 1 ATOM 2555 O OD1 . ASP A 1 332 ? 26.010 2.612 46.461 1.00 24.80 ? 332 ASP A OD1 1 ATOM 2556 O OD2 . ASP A 1 332 ? 24.411 3.438 47.724 1.00 25.38 ? 332 ASP A OD2 1 ATOM 2557 N N . TYR A 1 333 ? 22.273 0.613 43.706 1.00 9.12 ? 333 TYR A N 1 ATOM 2558 C CA . TYR A 1 333 ? 21.259 -0.310 43.120 1.00 9.37 ? 333 TYR A CA 1 ATOM 2559 C C . TYR A 1 333 ? 21.869 -1.431 42.235 1.00 9.50 ? 333 TYR A C 1 ATOM 2560 O O . TYR A 1 333 ? 21.553 -2.611 42.388 1.00 9.36 ? 333 TYR A O 1 ATOM 2561 C CB . TYR A 1 333 ? 20.160 0.496 42.414 1.00 8.74 ? 333 TYR A CB 1 ATOM 2562 C CG . TYR A 1 333 ? 19.192 -0.419 41.716 1.00 8.49 ? 333 TYR A CG 1 ATOM 2563 C CD1 . TYR A 1 333 ? 19.402 -0.812 40.407 1.00 8.92 ? 333 TYR A CD1 1 ATOM 2564 C CD2 . TYR A 1 333 ? 18.090 -0.926 42.383 1.00 9.19 ? 333 TYR A CD2 1 ATOM 2565 C CE1 . TYR A 1 333 ? 18.523 -1.682 39.777 1.00 9.19 ? 333 TYR A CE1 1 ATOM 2566 C CE2 . TYR A 1 333 ? 17.215 -1.797 41.755 1.00 8.80 ? 333 TYR A CE2 1 ATOM 2567 C CZ . TYR A 1 333 ? 17.439 -2.178 40.472 1.00 9.58 ? 333 TYR A CZ 1 ATOM 2568 O OH . TYR A 1 333 ? 16.522 -3.022 39.862 1.00 9.72 ? 333 TYR A OH 1 ATOM 2569 N N . CYS A 1 334 ? 22.724 -1.079 41.276 1.00 10.57 ? 334 CYS A N 1 ATOM 2570 C CA . CYS A 1 334 ? 23.339 -2.098 40.380 1.00 11.45 ? 334 CYS A CA 1 ATOM 2571 C C . CYS A 1 334 ? 24.184 -3.154 41.144 1.00 11.83 ? 334 CYS A C 1 ATOM 2572 O O . CYS A 1 334 ? 24.067 -4.393 40.832 1.00 11.29 ? 334 CYS A O 1 ATOM 2573 C CB . CYS A 1 334 ? 24.089 -1.418 39.266 1.00 12.91 ? 334 CYS A CB 1 ATOM 2574 S SG . CYS A 1 334 ? 22.911 -0.378 38.265 1.00 15.07 ? 334 CYS A SG 1 ATOM 2575 N N . ALA A 1 335 ? 24.957 -2.686 42.142 1.00 10.57 ? 335 ALA A N 1 ATOM 2576 C CA . ALA A 1 335 ? 25.743 -3.628 42.997 1.00 11.60 ? 335 ALA A CA 1 ATOM 2577 C C . ALA A 1 335 ? 24.814 -4.536 43.798 1.00 12.04 ? 335 ALA A C 1 ATOM 2578 O O . ALA A 1 335 ? 25.052 -5.750 43.869 1.00 12.61 ? 335 ALA A O 1 ATOM 2579 C CB . ALA A 1 335 ? 26.713 -2.907 43.931 1.00 11.14 ? 335 ALA A CB 1 ATOM 2580 N N . ALA A 1 336 ? 23.761 -3.950 44.359 1.00 11.76 ? 336 ALA A N 1 ATOM 2581 C CA . ALA A 1 336 ? 22.774 -4.693 45.108 1.00 11.99 ? 336 ALA A CA 1 ATOM 2582 C C . ALA A 1 336 ? 21.969 -5.716 44.256 1.00 12.55 ? 336 ALA A C 1 ATOM 2583 O O . ALA A 1 336 ? 21.689 -6.847 44.704 1.00 11.75 ? 336 ALA A O 1 ATOM 2584 C CB . ALA A 1 336 ? 21.835 -3.723 45.753 1.00 12.01 ? 336 ALA A CB 1 ATOM 2585 N N . GLU A 1 337 ? 21.591 -5.339 43.032 1.00 13.14 ? 337 GLU A N 1 ATOM 2586 C CA . GLU A 1 337 ? 20.891 -6.265 42.158 1.00 16.02 ? 337 GLU A CA 1 ATOM 2587 C C . GLU A 1 337 ? 21.708 -7.536 41.877 1.00 15.16 ? 337 GLU A C 1 ATOM 2588 O O . GLU A 1 337 ? 21.226 -8.658 42.010 1.00 15.56 ? 337 GLU A O 1 ATOM 2589 C CB . GLU A 1 337 ? 20.479 -5.585 40.848 1.00 18.27 ? 337 GLU A CB 1 ATOM 2590 C CG . GLU A 1 337 ? 19.613 -6.510 39.996 1.00 20.29 ? 337 GLU A CG 1 ATOM 2591 C CD . GLU A 1 337 ? 19.160 -5.948 38.670 1.00 19.07 ? 337 GLU A CD 1 ATOM 2592 O OE1 . GLU A 1 337 ? 18.041 -6.309 38.297 1.00 19.79 ? 337 GLU A OE1 1 ATOM 2593 O OE2 . GLU A 1 337 ? 19.910 -5.175 38.038 1.00 18.75 ? 337 GLU A OE2 1 ATOM 2594 N N . ILE A 1 338 ? 22.948 -7.362 41.483 1.00 15.30 ? 338 ILE A N 1 ATOM 2595 C CA . ILE A 1 338 ? 23.757 -8.531 41.135 1.00 17.18 ? 338 ILE A CA 1 ATOM 2596 C C . ILE A 1 338 ? 24.112 -9.332 42.409 1.00 16.90 ? 338 ILE A C 1 ATOM 2597 O O . ILE A 1 338 ? 24.178 -10.569 42.362 1.00 17.47 ? 338 ILE A O 1 ATOM 2598 C CB . ILE A 1 338 ? 25.001 -8.150 40.269 1.00 18.57 ? 338 ILE A CB 1 ATOM 2599 C CG1 . ILE A 1 338 ? 25.716 -9.411 39.715 1.00 20.85 ? 338 ILE A CG1 1 ATOM 2600 C CG2 . ILE A 1 338 ? 25.985 -7.322 41.034 1.00 16.22 ? 338 ILE A CG2 1 ATOM 2601 C CD1 . ILE A 1 338 ? 24.944 -10.200 38.688 1.00 22.12 ? 338 ILE A CD1 1 ATOM 2602 N N A SER A 1 339 ? 24.308 -8.617 43.519 0.40 16.64 ? 339 SER A N 1 ATOM 2603 N N B SER A 1 339 ? 24.315 -8.655 43.533 0.60 16.91 ? 339 SER A N 1 ATOM 2604 C CA A SER A 1 339 ? 24.595 -9.233 44.800 0.40 17.08 ? 339 SER A CA 1 ATOM 2605 C CA B SER A 1 339 ? 24.572 -9.366 44.769 0.60 17.96 ? 339 SER A CA 1 ATOM 2606 C C A SER A 1 339 ? 23.409 -10.089 45.280 0.40 17.77 ? 339 SER A C 1 ATOM 2607 C C B SER A 1 339 ? 23.366 -10.215 45.137 0.60 18.41 ? 339 SER A C 1 ATOM 2608 O O A SER A 1 339 ? 23.649 -11.127 45.908 0.40 18.32 ? 339 SER A O 1 ATOM 2609 O O B SER A 1 339 ? 23.534 -11.375 45.526 0.60 19.66 ? 339 SER A O 1 ATOM 2610 C CB A SER A 1 339 ? 24.948 -8.169 45.868 0.40 16.85 ? 339 SER A CB 1 ATOM 2611 C CB B SER A 1 339 ? 24.884 -8.408 45.916 0.60 18.22 ? 339 SER A CB 1 ATOM 2612 O OG A SER A 1 339 ? 26.162 -7.452 45.601 0.40 15.51 ? 339 SER A OG 1 ATOM 2613 O OG B SER A 1 339 ? 24.551 -8.993 47.161 0.60 17.67 ? 339 SER A OG 1 ATOM 2614 N N . THR A 1 340 ? 22.160 -9.659 45.013 1.00 17.70 ? 340 THR A N 1 ATOM 2615 C CA . THR A 1 340 ? 20.962 -10.361 45.501 1.00 19.60 ? 340 THR A CA 1 ATOM 2616 C C . THR A 1 340 ? 20.386 -11.352 44.492 1.00 23.40 ? 340 THR A C 1 ATOM 2617 O O . THR A 1 340 ? 20.157 -12.516 44.869 1.00 22.79 ? 340 THR A O 1 ATOM 2618 C CB . THR A 1 340 ? 19.963 -9.508 46.388 1.00 19.78 ? 340 THR A CB 1 ATOM 2619 O OG1 . THR A 1 340 ? 18.568 -9.715 46.116 1.00 21.24 ? 340 THR A OG1 1 ATOM 2620 C CG2 . THR A 1 340 ? 20.303 -8.100 46.519 1.00 16.13 ? 340 THR A CG2 1 ATOM 2621 N N . PHE A 1 341 ? 20.280 -10.964 43.217 1.00 20.91 ? 341 PHE A N 1 ATOM 2622 C CA . PHE A 1 341 ? 19.706 -11.876 42.222 1.00 23.21 ? 341 PHE A CA 1 ATOM 2623 C C . PHE A 1 341 ? 20.766 -12.852 41.716 1.00 23.24 ? 341 PHE A C 1 ATOM 2624 O O . PHE A 1 341 ? 20.422 -13.908 41.180 1.00 28.62 ? 341 PHE A O 1 ATOM 2625 C CB . PHE A 1 341 ? 19.015 -11.104 41.070 1.00 19.41 ? 341 PHE A CB 1 ATOM 2626 C CG . PHE A 1 341 ? 17.801 -10.363 41.454 1.00 18.02 ? 341 PHE A CG 1 ATOM 2627 C CD1 . PHE A 1 341 ? 17.032 -10.710 42.541 1.00 18.79 ? 341 PHE A CD1 1 ATOM 2628 C CD2 . PHE A 1 341 ? 17.377 -9.299 40.681 1.00 18.41 ? 341 PHE A CD2 1 ATOM 2629 C CE1 . PHE A 1 341 ? 15.887 -10.050 42.872 1.00 18.12 ? 341 PHE A CE1 1 ATOM 2630 C CE2 . PHE A 1 341 ? 16.210 -8.615 40.979 1.00 17.83 ? 341 PHE A CE2 1 ATOM 2631 C CZ . PHE A 1 341 ? 15.448 -8.989 42.087 1.00 19.80 ? 341 PHE A CZ 1 ATOM 2632 N N . GLY A 1 342 ? 22.044 -12.556 41.900 1.00 23.82 ? 342 GLY A N 1 ATOM 2633 C CA . GLY A 1 342 ? 23.120 -13.434 41.410 1.00 26.14 ? 342 GLY A CA 1 ATOM 2634 C C . GLY A 1 342 ? 23.338 -13.468 39.887 1.00 27.23 ? 342 GLY A C 1 ATOM 2635 O O . GLY A 1 342 ? 22.575 -12.891 39.147 1.00 27.96 ? 342 GLY A O 1 ATOM 2636 N N . GLY A 1 343 ? 24.382 -14.153 39.442 1.00 29.35 ? 343 GLY A N 1 ATOM 2637 C CA . GLY A 1 343 ? 24.614 -14.389 38.001 1.00 28.23 ? 343 GLY A CA 1 ATOM 2638 C C . GLY A 1 343 ? 25.913 -13.742 37.587 1.00 27.70 ? 343 GLY A C 1 ATOM 2639 O O . GLY A 1 343 ? 26.696 -13.334 38.443 1.00 27.03 ? 343 GLY A O 1 ATOM 2640 N N . THR A 1 344 ? 26.132 -13.597 36.273 1.00 24.19 ? 344 THR A N 1 ATOM 2641 C CA . THR A 1 344 ? 27.349 -13.030 35.767 1.00 21.26 ? 344 THR A CA 1 ATOM 2642 C C . THR A 1 344 ? 27.312 -11.543 35.897 1.00 17.25 ? 344 THR A C 1 ATOM 2643 O O . THR A 1 344 ? 26.318 -10.888 35.536 1.00 15.24 ? 344 THR A O 1 ATOM 2644 C CB . THR A 1 344 ? 27.573 -13.453 34.279 1.00 23.60 ? 344 THR A CB 1 ATOM 2645 O OG1 . THR A 1 344 ? 27.771 -14.852 34.284 1.00 25.43 ? 344 THR A OG1 1 ATOM 2646 C CG2 . THR A 1 344 ? 28.777 -12.773 33.631 1.00 21.53 ? 344 THR A CG2 1 ATOM 2647 N N . ALA A 1 345 ? 28.402 -11.018 36.437 1.00 14.36 ? 345 ALA A N 1 ATOM 2648 C CA . ALA A 1 345 ? 28.555 -9.618 36.598 1.00 15.81 ? 345 ALA A CA 1 ATOM 2649 C C . ALA A 1 345 ? 28.895 -8.858 35.296 1.00 14.24 ? 345 ALA A C 1 ATOM 2650 O O . ALA A 1 345 ? 29.878 -8.105 35.274 1.00 16.15 ? 345 ALA A O 1 ATOM 2651 C CB . ALA A 1 345 ? 29.642 -9.376 37.625 1.00 16.96 ? 345 ALA A CB 1 ATOM 2652 N N . SER A 1 346 ? 28.084 -9.027 34.251 1.00 12.81 ? 346 SER A N 1 ATOM 2653 C CA . SER A 1 346 ? 28.338 -8.416 32.953 1.00 11.76 ? 346 SER A CA 1 ATOM 2654 C C . SER A 1 346 ? 28.205 -6.892 32.951 1.00 11.41 ? 346 SER A C 1 ATOM 2655 O O . SER A 1 346 ? 28.910 -6.223 32.204 1.00 11.46 ? 346 SER A O 1 ATOM 2656 C CB . SER A 1 346 ? 27.427 -9.022 31.865 1.00 12.43 ? 346 SER A CB 1 ATOM 2657 O OG . SER A 1 346 ? 26.069 -9.100 32.322 1.00 13.11 ? 346 SER A OG 1 ATOM 2658 N N . PHE A 1 347 ? 27.307 -6.334 33.778 1.00 11.38 ? 347 PHE A N 1 ATOM 2659 C CA . PHE A 1 347 ? 27.166 -4.909 33.877 1.00 10.82 ? 347 PHE A CA 1 ATOM 2660 C C . PHE A 1 347 ? 28.535 -4.275 34.346 1.00 11.09 ? 347 PHE A C 1 ATOM 2661 O O . PHE A 1 347 ? 29.031 -3.358 33.708 1.00 10.51 ? 347 PHE A O 1 ATOM 2662 C CB . PHE A 1 347 ? 25.953 -4.540 34.791 1.00 10.03 ? 347 PHE A CB 1 ATOM 2663 C CG . PHE A 1 347 ? 25.643 -3.067 34.825 1.00 10.06 ? 347 PHE A CG 1 ATOM 2664 C CD1 . PHE A 1 347 ? 24.998 -2.439 33.750 1.00 9.35 ? 347 PHE A CD1 1 ATOM 2665 C CD2 . PHE A 1 347 ? 25.921 -2.317 35.980 1.00 10.06 ? 347 PHE A CD2 1 ATOM 2666 C CE1 . PHE A 1 347 ? 24.725 -1.088 33.777 1.00 9.24 ? 347 PHE A CE1 1 ATOM 2667 C CE2 . PHE A 1 347 ? 25.606 -0.971 36.022 1.00 10.12 ? 347 PHE A CE2 1 ATOM 2668 C CZ . PHE A 1 347 ? 25.007 -0.347 34.918 1.00 10.01 ? 347 PHE A CZ 1 ATOM 2669 N N A SER A 1 348 ? 29.081 -4.802 35.435 0.23 11.51 ? 348 SER A N 1 ATOM 2670 N N B SER A 1 348 ? 29.130 -4.820 35.410 0.77 11.50 ? 348 SER A N 1 ATOM 2671 C CA A SER A 1 348 ? 30.344 -4.332 35.987 0.23 12.01 ? 348 SER A CA 1 ATOM 2672 C CA B SER A 1 348 ? 30.398 -4.300 35.973 0.77 12.36 ? 348 SER A CA 1 ATOM 2673 C C A SER A 1 348 ? 31.464 -4.563 35.003 0.23 12.35 ? 348 SER A C 1 ATOM 2674 C C B SER A 1 348 ? 31.488 -4.559 34.998 0.77 12.40 ? 348 SER A C 1 ATOM 2675 O O A SER A 1 348 ? 32.282 -3.674 34.778 0.23 12.36 ? 348 SER A O 1 ATOM 2676 O O B SER A 1 348 ? 32.293 -3.669 34.732 0.77 12.20 ? 348 SER A O 1 ATOM 2677 C CB A SER A 1 348 ? 30.667 -5.086 37.271 0.23 12.23 ? 348 SER A CB 1 ATOM 2678 C CB B SER A 1 348 ? 30.754 -4.937 37.340 0.77 13.28 ? 348 SER A CB 1 ATOM 2679 O OG A SER A 1 348 ? 31.150 -6.378 36.955 0.23 12.14 ? 348 SER A OG 1 ATOM 2680 O OG B SER A 1 348 ? 32.111 -4.658 37.740 0.77 13.34 ? 348 SER A OG 1 ATOM 2681 N N . LYS A 1 349 ? 31.475 -5.747 34.388 1.00 12.43 ? 349 LYS A N 1 ATOM 2682 C CA . LYS A 1 349 ? 32.577 -6.158 33.525 1.00 14.39 ? 349 LYS A CA 1 ATOM 2683 C C . LYS A 1 349 ? 32.649 -5.236 32.310 1.00 13.53 ? 349 LYS A C 1 ATOM 2684 O O . LYS A 1 349 ? 33.717 -5.001 31.794 1.00 12.31 ? 349 LYS A O 1 ATOM 2685 C CB . LYS A 1 349 ? 32.452 -7.638 33.072 1.00 17.49 ? 349 LYS A CB 1 ATOM 2686 C CG . LYS A 1 349 ? 32.710 -8.643 34.197 1.00 23.78 ? 349 LYS A CG 1 ATOM 2687 C CD . LYS A 1 349 ? 32.237 -10.061 33.823 1.00 29.03 ? 349 LYS A CD 1 ATOM 2688 C CE . LYS A 1 349 ? 33.222 -11.115 34.319 1.00 36.41 ? 349 LYS A CE 1 ATOM 2689 N NZ . LYS A 1 349 ? 33.367 -11.135 35.804 1.00 36.37 ? 349 LYS A NZ 1 ATOM 2690 N N . HIS A 1 350 ? 31.504 -4.685 31.886 1.00 12.28 ? 350 HIS A N 1 ATOM 2691 C CA . HIS A 1 350 ? 31.507 -3.750 30.758 1.00 12.21 ? 350 HIS A CA 1 ATOM 2692 C C . HIS A 1 350 ? 31.440 -2.270 31.133 1.00 11.61 ? 350 HIS A C 1 ATOM 2693 O O . HIS A 1 350 ? 31.177 -1.425 30.279 1.00 13.14 ? 350 HIS A O 1 ATOM 2694 C CB . HIS A 1 350 ? 30.434 -4.213 29.765 1.00 11.60 ? 350 HIS A CB 1 ATOM 2695 C CG . HIS A 1 350 ? 30.701 -5.575 29.257 1.00 11.78 ? 350 HIS A CG 1 ATOM 2696 N ND1 . HIS A 1 350 ? 31.837 -5.889 28.536 1.00 13.65 ? 350 HIS A ND1 1 ATOM 2697 C CD2 . HIS A 1 350 ? 30.038 -6.730 29.425 1.00 11.47 ? 350 HIS A CD2 1 ATOM 2698 C CE1 . HIS A 1 350 ? 31.829 -7.169 28.259 1.00 12.64 ? 350 HIS A CE1 1 ATOM 2699 N NE2 . HIS A 1 350 ? 30.744 -7.704 28.791 1.00 12.14 ? 350 HIS A NE2 1 ATOM 2700 N N . GLY A 1 351 ? 31.798 -1.966 32.376 1.00 10.73 ? 351 GLY A N 1 ATOM 2701 C CA . GLY A 1 351 ? 32.028 -0.586 32.842 1.00 11.95 ? 351 GLY A CA 1 ATOM 2702 C C . GLY A 1 351 ? 30.841 0.104 33.525 1.00 10.81 ? 351 GLY A C 1 ATOM 2703 O O . GLY A 1 351 ? 30.893 1.303 33.826 1.00 10.88 ? 351 GLY A O 1 ATOM 2704 N N . GLY A 1 352 ? 29.774 -0.641 33.700 1.00 10.75 ? 352 GLY A N 1 ATOM 2705 C CA . GLY A 1 352 ? 28.604 -0.134 34.377 1.00 10.63 ? 352 GLY A CA 1 ATOM 2706 C C . GLY A 1 352 ? 28.166 1.244 33.944 1.00 9.90 ? 352 GLY A C 1 ATOM 2707 O O . GLY A 1 352 ? 28.161 1.560 32.770 1.00 9.60 ? 352 GLY A O 1 ATOM 2708 N N . LEU A 1 353 ? 27.733 2.061 34.917 1.00 10.29 ? 353 LEU A N 1 ATOM 2709 C CA . LEU A 1 353 ? 27.186 3.393 34.578 1.00 11.37 ? 353 LEU A CA 1 ATOM 2710 C C . LEU A 1 353 ? 28.247 4.329 33.940 1.00 10.69 ? 353 LEU A C 1 ATOM 2711 O O . LEU A 1 353 ? 27.919 5.189 33.155 1.00 10.47 ? 353 LEU A O 1 ATOM 2712 C CB . LEU A 1 353 ? 26.574 4.030 35.820 1.00 11.79 ? 353 LEU A CB 1 ATOM 2713 C CG . LEU A 1 353 ? 25.366 3.342 36.421 1.00 12.65 ? 353 LEU A CG 1 ATOM 2714 C CD1 . LEU A 1 353 ? 25.039 3.970 37.787 1.00 13.90 ? 353 LEU A CD1 1 ATOM 2715 C CD2 . LEU A 1 353 ? 24.207 3.449 35.467 1.00 12.24 ? 353 LEU A CD2 1 ATOM 2716 N N . THR A 1 354 ? 29.521 4.138 34.232 1.00 10.47 ? 354 THR A N 1 ATOM 2717 C CA . THR A 1 354 ? 30.580 4.968 33.644 1.00 11.04 ? 354 THR A CA 1 ATOM 2718 C C . THR A 1 354 ? 30.603 4.736 32.155 1.00 9.87 ? 354 THR A C 1 ATOM 2719 O O . THR A 1 354 ? 30.659 5.703 31.403 1.00 8.86 ? 354 THR A O 1 ATOM 2720 C CB . THR A 1 354 ? 31.946 4.618 34.269 1.00 12.08 ? 354 THR A CB 1 ATOM 2721 O OG1 . THR A 1 354 ? 31.841 4.937 35.643 1.00 14.56 ? 354 THR A OG1 1 ATOM 2722 C CG2 . THR A 1 354 ? 33.050 5.384 33.674 1.00 13.32 ? 354 THR A CG2 1 ATOM 2723 N N . ASN A 1 355 ? 30.504 3.464 31.731 1.00 9.27 ? 355 ASN A N 1 ATOM 2724 C CA . ASN A 1 355 ? 30.525 3.133 30.306 1.00 8.45 ? 355 ASN A CA 1 ATOM 2725 C C . ASN A 1 355 ? 29.196 3.442 29.640 1.00 8.00 ? 355 ASN A C 1 ATOM 2726 O O . ASN A 1 355 ? 29.201 3.872 28.474 1.00 7.83 ? 355 ASN A O 1 ATOM 2727 C CB . ASN A 1 355 ? 31.014 1.733 30.012 1.00 8.34 ? 355 ASN A CB 1 ATOM 2728 C CG . ASN A 1 355 ? 32.521 1.638 30.056 1.00 9.33 ? 355 ASN A CG 1 ATOM 2729 O OD1 . ASN A 1 355 ? 33.183 2.478 30.676 1.00 11.03 ? 355 ASN A OD1 1 ATOM 2730 N ND2 . ASN A 1 355 ? 33.067 0.708 29.318 1.00 9.23 ? 355 ASN A ND2 1 ATOM 2731 N N . MET A 1 356 ? 28.082 3.357 30.384 1.00 7.72 ? 356 MET A N 1 ATOM 2732 C CA . MET A 1 356 ? 26.794 3.874 29.902 1.00 8.28 ? 356 MET A CA 1 ATOM 2733 C C . MET A 1 356 ? 26.904 5.343 29.583 1.00 8.13 ? 356 MET A C 1 ATOM 2734 O O . MET A 1 356 ? 26.487 5.804 28.481 1.00 8.28 ? 356 MET A O 1 ATOM 2735 C CB . MET A 1 356 ? 25.655 3.608 30.886 1.00 9.17 ? 356 MET A CB 1 ATOM 2736 C CG . MET A 1 356 ? 24.259 3.856 30.355 1.00 9.80 ? 356 MET A CG 1 ATOM 2737 S SD . MET A 1 356 ? 23.737 2.759 29.039 1.00 11.74 ? 356 MET A SD 1 ATOM 2738 C CE . MET A 1 356 ? 24.163 3.591 27.509 1.00 10.45 ? 356 MET A CE 1 ATOM 2739 N N . ALA A 1 357 ? 27.563 6.084 30.457 1.00 8.39 ? 357 ALA A N 1 ATOM 2740 C CA . ALA A 1 357 ? 27.757 7.504 30.200 1.00 8.87 ? 357 ALA A CA 1 ATOM 2741 C C . ALA A 1 357 ? 28.565 7.796 28.945 1.00 8.85 ? 357 ALA A C 1 ATOM 2742 O O . ALA A 1 357 ? 28.277 8.736 28.203 1.00 9.15 ? 357 ALA A O 1 ATOM 2743 C CB . ALA A 1 357 ? 28.447 8.174 31.386 1.00 9.60 ? 357 ALA A CB 1 ATOM 2744 N N . ALA A 1 358 ? 29.577 6.993 28.716 1.00 8.65 ? 358 ALA A N 1 ATOM 2745 C CA . ALA A 1 358 ? 30.352 7.159 27.501 1.00 8.73 ? 358 ALA A CA 1 ATOM 2746 C C . ALA A 1 358 ? 29.490 6.964 26.265 1.00 8.77 ? 358 ALA A C 1 ATOM 2747 O O . ALA A 1 358 ? 29.638 7.767 25.286 1.00 8.11 ? 358 ALA A O 1 ATOM 2748 C CB . ALA A 1 358 ? 31.544 6.248 27.520 1.00 9.13 ? 358 ALA A CB 1 ATOM 2749 N N . GLY A 1 359 ? 28.626 5.924 26.260 1.00 7.99 ? 359 GLY A N 1 ATOM 2750 C CA . GLY A 1 359 ? 27.631 5.754 25.196 1.00 7.66 ? 359 GLY A CA 1 ATOM 2751 C C . GLY A 1 359 ? 26.794 7.018 24.960 1.00 7.74 ? 359 GLY A C 1 ATOM 2752 O O . GLY A 1 359 ? 26.548 7.483 23.810 1.00 7.19 ? 359 GLY A O 1 ATOM 2753 N N . MET A 1 360 ? 26.359 7.599 26.067 1.00 7.98 ? 360 MET A N 1 ATOM 2754 C CA . MET A 1 360 ? 25.470 8.736 26.058 1.00 8.81 ? 360 MET A CA 1 ATOM 2755 C C . MET A 1 360 ? 26.198 9.987 25.641 1.00 9.70 ? 360 MET A C 1 ATOM 2756 O O . MET A 1 360 ? 25.672 10.809 24.895 1.00 9.90 ? 360 MET A O 1 ATOM 2757 C CB . MET A 1 360 ? 24.821 8.928 27.433 1.00 9.11 ? 360 MET A CB 1 ATOM 2758 C CG . MET A 1 360 ? 23.958 7.770 27.838 1.00 10.00 ? 360 MET A CG 1 ATOM 2759 S SD . MET A 1 360 ? 23.520 7.821 29.591 1.00 11.10 ? 360 MET A SD 1 ATOM 2760 C CE . MET A 1 360 ? 22.238 9.084 29.730 1.00 10.58 ? 360 MET A CE 1 ATOM 2761 N N . GLU A 1 361 ? 27.408 10.140 26.130 1.00 11.33 ? 361 GLU A N 1 ATOM 2762 C CA . GLU A 1 361 ? 28.164 11.348 25.759 1.00 13.91 ? 361 GLU A CA 1 ATOM 2763 C C . GLU A 1 361 ? 28.475 11.422 24.233 1.00 12.39 ? 361 GLU A C 1 ATOM 2764 O O . GLU A 1 361 ? 28.581 12.512 23.684 1.00 12.29 ? 361 GLU A O 1 ATOM 2765 C CB . GLU A 1 361 ? 29.461 11.438 26.575 1.00 18.59 ? 361 GLU A CB 1 ATOM 2766 C CG . GLU A 1 361 ? 30.157 12.793 26.307 1.00 25.17 ? 361 GLU A CG 1 ATOM 2767 C CD . GLU A 1 361 ? 30.924 13.424 27.473 1.00 34.53 ? 361 GLU A CD 1 ATOM 2768 O OE1 . GLU A 1 361 ? 31.454 14.545 27.221 1.00 40.74 ? 361 GLU A OE1 1 ATOM 2769 O OE2 . GLU A 1 361 ? 31.002 12.846 28.608 1.00 42.03 ? 361 GLU A OE2 1 ATOM 2770 N N . ALA A 1 362 ? 28.654 10.257 23.589 1.00 11.26 ? 362 ALA A N 1 ATOM 2771 C CA . ALA A 1 362 ? 28.906 10.144 22.159 1.00 10.86 ? 362 ALA A CA 1 ATOM 2772 C C . ALA A 1 362 ? 27.701 10.638 21.347 1.00 10.48 ? 362 ALA A C 1 ATOM 2773 O O . ALA A 1 362 ? 27.851 10.948 20.194 1.00 11.61 ? 362 ALA A O 1 ATOM 2774 C CB . ALA A 1 362 ? 29.264 8.716 21.796 1.00 10.40 ? 362 ALA A CB 1 ATOM 2775 N N . GLY A 1 363 ? 26.524 10.647 21.964 1.00 9.08 ? 363 GLY A N 1 ATOM 2776 C CA . GLY A 1 363 ? 25.266 10.955 21.314 1.00 8.51 ? 363 GLY A CA 1 ATOM 2777 C C . GLY A 1 363 ? 24.592 9.666 20.808 1.00 7.79 ? 363 GLY A C 1 ATOM 2778 O O . GLY A 1 363 ? 25.244 8.708 20.356 1.00 8.21 ? 363 GLY A O 1 ATOM 2779 N N . MET A 1 364 ? 23.272 9.652 20.922 1.00 7.43 ? 364 MET A N 1 ATOM 2780 C CA . MET A 1 364 ? 22.501 8.406 20.691 1.00 7.08 ? 364 MET A CA 1 ATOM 2781 C C . MET A 1 364 ? 21.305 8.662 19.847 1.00 6.43 ? 364 MET A C 1 ATOM 2782 O O . MET A 1 364 ? 20.779 9.758 19.826 1.00 6.70 ? 364 MET A O 1 ATOM 2783 C CB . MET A 1 364 ? 22.062 7.767 22.004 1.00 7.78 ? 364 MET A CB 1 ATOM 2784 C CG . MET A 1 364 ? 23.187 7.538 22.982 1.00 8.24 ? 364 MET A CG 1 ATOM 2785 S SD . MET A 1 364 ? 22.677 6.706 24.489 1.00 9.11 ? 364 MET A SD 1 ATOM 2786 C CE . MET A 1 364 ? 22.839 4.951 23.979 1.00 9.75 ? 364 MET A CE 1 ATOM 2787 N N . VAL A 1 365 ? 20.905 7.636 19.105 1.00 5.69 ? 365 VAL A N 1 ATOM 2788 C CA . VAL A 1 365 ? 19.772 7.650 18.180 1.00 5.45 ? 365 VAL A CA 1 ATOM 2789 C C . VAL A 1 365 ? 18.571 7.085 18.900 1.00 5.37 ? 365 VAL A C 1 ATOM 2790 O O . VAL A 1 365 ? 18.707 6.096 19.648 1.00 5.17 ? 365 VAL A O 1 ATOM 2791 C CB . VAL A 1 365 ? 20.093 6.788 16.932 1.00 5.59 ? 365 VAL A CB 1 ATOM 2792 C CG1 . VAL A 1 365 ? 18.849 6.623 16.063 1.00 5.49 ? 365 VAL A CG1 1 ATOM 2793 C CG2 . VAL A 1 365 ? 21.219 7.427 16.067 1.00 5.81 ? 365 VAL A CG2 1 ATOM 2794 N N . LEU A 1 366 ? 17.418 7.710 18.701 1.00 5.35 ? 366 LEU A N 1 ATOM 2795 C CA . LEU A 1 366 ? 16.175 7.247 19.237 1.00 5.00 ? 366 LEU A CA 1 ATOM 2796 C C . LEU A 1 366 ? 15.566 6.165 18.364 1.00 4.95 ? 366 LEU A C 1 ATOM 2797 O O . LEU A 1 366 ? 15.303 6.389 17.180 1.00 4.52 ? 366 LEU A O 1 ATOM 2798 C CB . LEU A 1 366 ? 15.203 8.418 19.324 1.00 5.46 ? 366 LEU A CB 1 ATOM 2799 C CG . LEU A 1 366 ? 13.804 8.066 19.878 1.00 5.63 ? 366 LEU A CG 1 ATOM 2800 C CD1 . LEU A 1 366 ? 13.761 7.484 21.288 1.00 5.92 ? 366 LEU A CD1 1 ATOM 2801 C CD2 . LEU A 1 366 ? 12.859 9.256 19.747 1.00 6.15 ? 366 LEU A CD2 1 ATOM 2802 N N . VAL A 1 367 ? 15.287 5.007 18.961 1.00 4.34 ? 367 VAL A N 1 ATOM 2803 C CA . VAL A 1 367 ? 14.644 3.853 18.305 1.00 4.38 ? 367 VAL A CA 1 ATOM 2804 C C . VAL A 1 367 ? 13.261 3.555 18.890 1.00 5.01 ? 367 VAL A C 1 ATOM 2805 O O . VAL A 1 367 ? 13.076 3.535 20.134 1.00 5.23 ? 367 VAL A O 1 ATOM 2806 C CB . VAL A 1 367 ? 15.488 2.552 18.544 1.00 4.18 ? 367 VAL A CB 1 ATOM 2807 C CG1 . VAL A 1 367 ? 15.047 1.476 17.607 1.00 4.17 ? 367 VAL A CG1 1 ATOM 2808 C CG2 . VAL A 1 367 ? 16.961 2.782 18.275 1.00 4.14 ? 367 VAL A CG2 1 ATOM 2809 N N . MET A 1 368 ? 12.311 3.239 17.995 1.00 5.48 ? 368 MET A N 1 ATOM 2810 C CA . MET A 1 368 ? 11.020 2.779 18.417 1.00 5.77 ? 368 MET A CA 1 ATOM 2811 C C . MET A 1 368 ? 10.721 1.534 17.630 1.00 5.82 ? 368 MET A C 1 ATOM 2812 O O . MET A 1 368 ? 10.760 1.519 16.388 1.00 5.86 ? 368 MET A O 1 ATOM 2813 C CB . MET A 1 368 ? 9.970 3.855 18.156 1.00 6.29 ? 368 MET A CB 1 ATOM 2814 C CG . MET A 1 368 ? 10.174 5.043 19.137 1.00 6.88 ? 368 MET A CG 1 ATOM 2815 S SD . MET A 1 368 ? 9.171 6.530 18.898 1.00 8.58 ? 368 MET A SD 1 ATOM 2816 C CE . MET A 1 368 ? 10.016 7.215 17.491 1.00 8.29 ? 368 MET A CE 1 ATOM 2817 N N . SER A 1 369 ? 10.419 0.483 18.369 1.00 5.62 ? 369 SER A N 1 ATOM 2818 C CA . SER A 1 369 ? 10.194 -0.833 17.753 1.00 5.64 ? 369 SER A CA 1 ATOM 2819 C C . SER A 1 369 ? 9.033 -1.610 18.389 1.00 5.49 ? 369 SER A C 1 ATOM 2820 O O . SER A 1 369 ? 8.559 -1.325 19.510 1.00 5.07 ? 369 SER A O 1 ATOM 2821 C CB . SER A 1 369 ? 11.474 -1.656 17.798 1.00 5.72 ? 369 SER A CB 1 ATOM 2822 O OG . SER A 1 369 ? 11.662 -2.041 19.118 1.00 5.78 ? 369 SER A OG 1 ATOM 2823 N N . LEU A 1 370 ? 8.602 -2.655 17.683 1.00 6.03 ? 370 LEU A N 1 ATOM 2824 C CA . LEU A 1 370 ? 7.574 -3.543 18.159 1.00 6.42 ? 370 LEU A CA 1 ATOM 2825 C C . LEU A 1 370 ? 7.969 -4.933 17.708 1.00 6.39 ? 370 LEU A C 1 ATOM 2826 O O . LEU A 1 370 ? 8.118 -5.165 16.534 1.00 5.75 ? 370 LEU A O 1 ATOM 2827 C CB . LEU A 1 370 ? 6.204 -3.174 17.591 1.00 7.41 ? 370 LEU A CB 1 ATOM 2828 C CG . LEU A 1 370 ? 5.146 -4.209 17.974 1.00 8.34 ? 370 LEU A CG 1 ATOM 2829 C CD1 . LEU A 1 370 ? 4.964 -4.314 19.469 1.00 8.65 ? 370 LEU A CD1 1 ATOM 2830 C CD2 . LEU A 1 370 ? 3.809 -3.884 17.311 1.00 9.73 ? 370 LEU A CD2 1 ATOM 2831 N N . TRP A 1 371 ? 8.225 -5.827 18.649 1.00 6.51 ? 371 TRP A N 1 ATOM 2832 C CA . TRP A 1 371 ? 8.738 -7.147 18.303 1.00 6.89 ? 371 TRP A CA 1 ATOM 2833 C C . TRP A 1 371 ? 8.236 -8.263 19.196 1.00 7.72 ? 371 TRP A C 1 ATOM 2834 O O . TRP A 1 371 ? 7.709 -8.014 20.298 1.00 6.47 ? 371 TRP A O 1 ATOM 2835 C CB . TRP A 1 371 ? 10.245 -7.091 18.277 1.00 6.52 ? 371 TRP A CB 1 ATOM 2836 C CG . TRP A 1 371 ? 10.905 -6.673 19.537 1.00 6.61 ? 371 TRP A CG 1 ATOM 2837 C CD1 . TRP A 1 371 ? 10.928 -5.439 20.074 1.00 6.96 ? 371 TRP A CD1 1 ATOM 2838 C CD2 . TRP A 1 371 ? 11.686 -7.494 20.411 1.00 6.86 ? 371 TRP A CD2 1 ATOM 2839 N NE1 . TRP A 1 371 ? 11.629 -5.427 21.230 1.00 6.69 ? 371 TRP A NE1 1 ATOM 2840 C CE2 . TRP A 1 371 ? 12.149 -6.663 21.457 1.00 6.82 ? 371 TRP A CE2 1 ATOM 2841 C CE3 . TRP A 1 371 ? 12.096 -8.796 20.368 1.00 7.07 ? 371 TRP A CE3 1 ATOM 2842 C CZ2 . TRP A 1 371 ? 12.992 -7.126 22.488 1.00 7.26 ? 371 TRP A CZ2 1 ATOM 2843 C CZ3 . TRP A 1 371 ? 12.909 -9.287 21.407 1.00 7.39 ? 371 TRP A CZ3 1 ATOM 2844 C CH2 . TRP A 1 371 ? 13.396 -8.422 22.410 1.00 7.57 ? 371 TRP A CH2 1 ATOM 2845 N N . ASP A 1 372 ? 8.379 -9.474 18.641 1.00 8.49 ? 372 ASP A N 1 ATOM 2846 C CA . ASP A 1 372 ? 8.290 -10.729 19.394 1.00 10.05 ? 372 ASP A CA 1 ATOM 2847 C C . ASP A 1 372 ? 9.615 -11.480 19.339 1.00 10.58 ? 372 ASP A C 1 ATOM 2848 O O . ASP A 1 372 ? 10.498 -11.088 18.599 1.00 9.94 ? 372 ASP A O 1 ATOM 2849 C CB . ASP A 1 372 ? 7.055 -11.543 19.006 1.00 10.91 ? 372 ASP A CB 1 ATOM 2850 C CG . ASP A 1 372 ? 7.027 -11.996 17.599 1.00 12.07 ? 372 ASP A CG 1 ATOM 2851 O OD1 . ASP A 1 372 ? 8.013 -11.908 16.875 1.00 14.52 ? 372 ASP A OD1 1 ATOM 2852 O OD2 . ASP A 1 372 ? 5.959 -12.513 17.193 1.00 13.51 ? 372 ASP A OD2 1 ATOM 2853 N N . ASP A 1 373 ? 9.752 -12.528 20.160 1.00 11.33 ? 373 ASP A N 1 ATOM 2854 C CA . ASP A 1 373 ? 11.093 -13.043 20.532 1.00 13.60 ? 373 ASP A CA 1 ATOM 2855 C C . ASP A 1 373 ? 11.149 -14.565 20.310 1.00 13.10 ? 373 ASP A C 1 ATOM 2856 O O . ASP A 1 373 ? 10.686 -15.297 21.138 1.00 11.86 ? 373 ASP A O 1 ATOM 2857 C CB . ASP A 1 373 ? 11.281 -12.653 21.993 1.00 14.52 ? 373 ASP A CB 1 ATOM 2858 C CG . ASP A 1 373 ? 12.629 -13.109 22.635 1.00 17.17 ? 373 ASP A CG 1 ATOM 2859 O OD1 . ASP A 1 373 ? 13.638 -13.468 21.931 1.00 16.31 ? 373 ASP A OD1 1 ATOM 2860 O OD2 . ASP A 1 373 ? 12.610 -13.034 23.914 1.00 16.39 ? 373 ASP A OD2 1 ATOM 2861 N N . TYR A 1 374 ? 11.757 -15.016 19.200 1.00 15.60 ? 374 TYR A N 1 ATOM 2862 C CA . TYR A 1 374 ? 12.013 -16.462 18.987 1.00 17.79 ? 374 TYR A CA 1 ATOM 2863 C C . TYR A 1 374 ? 12.966 -17.099 20.036 1.00 17.90 ? 374 TYR A C 1 ATOM 2864 O O . TYR A 1 374 ? 12.851 -18.280 20.350 1.00 18.68 ? 374 TYR A O 1 ATOM 2865 C CB . TYR A 1 374 ? 12.518 -16.759 17.543 1.00 21.57 ? 374 TYR A CB 1 ATOM 2866 C CG . TYR A 1 374 ? 11.407 -16.872 16.510 1.00 23.87 ? 374 TYR A CG 1 ATOM 2867 C CD1 . TYR A 1 374 ? 10.757 -18.106 16.239 1.00 24.64 ? 374 TYR A CD1 1 ATOM 2868 C CD2 . TYR A 1 374 ? 10.999 -15.760 15.804 1.00 25.06 ? 374 TYR A CD2 1 ATOM 2869 C CE1 . TYR A 1 374 ? 9.715 -18.188 15.322 1.00 24.83 ? 374 TYR A CE1 1 ATOM 2870 C CE2 . TYR A 1 374 ? 9.989 -15.838 14.869 1.00 24.72 ? 374 TYR A CE2 1 ATOM 2871 C CZ . TYR A 1 374 ? 9.354 -17.048 14.623 1.00 26.14 ? 374 TYR A CZ 1 ATOM 2872 O OH . TYR A 1 374 ? 8.359 -17.038 13.648 1.00 24.81 ? 374 TYR A OH 1 ATOM 2873 N N . ALA A 1 375 ? 13.864 -16.311 20.626 1.00 17.48 ? 375 ALA A N 1 ATOM 2874 C CA . ALA A 1 375 ? 14.873 -16.859 21.520 1.00 18.76 ? 375 ALA A CA 1 ATOM 2875 C C . ALA A 1 375 ? 14.338 -17.176 22.904 1.00 18.50 ? 375 ALA A C 1 ATOM 2876 O O . ALA A 1 375 ? 14.542 -18.301 23.392 1.00 19.22 ? 375 ALA A O 1 ATOM 2877 C CB . ALA A 1 375 ? 16.064 -15.897 21.609 1.00 20.60 ? 375 ALA A CB 1 ATOM 2878 N N . VAL A 1 376 ? 13.624 -16.220 23.516 1.00 16.62 ? 376 VAL A N 1 ATOM 2879 C CA . VAL A 1 376 ? 13.138 -16.336 24.907 1.00 17.09 ? 376 VAL A CA 1 ATOM 2880 C C . VAL A 1 376 ? 11.622 -16.107 25.133 1.00 15.22 ? 376 VAL A C 1 ATOM 2881 O O . VAL A 1 376 ? 11.172 -16.106 26.271 1.00 14.33 ? 376 VAL A O 1 ATOM 2882 C CB . VAL A 1 376 ? 13.877 -15.314 25.835 1.00 18.18 ? 376 VAL A CB 1 ATOM 2883 C CG1 . VAL A 1 376 ? 13.926 -15.796 27.260 1.00 19.31 ? 376 VAL A CG1 1 ATOM 2884 C CG2 . VAL A 1 376 ? 15.300 -14.989 25.361 1.00 19.64 ? 376 VAL A CG2 1 ATOM 2885 N N . ASN A 1 377 ? 10.873 -15.873 24.064 1.00 13.44 ? 377 ASN A N 1 ATOM 2886 C CA . ASN A 1 377 ? 9.431 -15.646 24.095 1.00 12.41 ? 377 ASN A CA 1 ATOM 2887 C C . ASN A 1 377 ? 9.050 -14.490 25.012 1.00 10.39 ? 377 ASN A C 1 ATOM 2888 O O . ASN A 1 377 ? 7.934 -14.420 25.555 1.00 8.47 ? 377 ASN A O 1 ATOM 2889 C CB . ASN A 1 377 ? 8.637 -16.890 24.429 1.00 14.47 ? 377 ASN A CB 1 ATOM 2890 C CG . ASN A 1 377 ? 8.773 -17.999 23.425 1.00 17.48 ? 377 ASN A CG 1 ATOM 2891 O OD1 . ASN A 1 377 ? 9.413 -17.902 22.368 1.00 19.26 ? 377 ASN A OD1 1 ATOM 2892 N ND2 . ASN A 1 377 ? 8.145 -19.083 23.759 1.00 18.72 ? 377 ASN A ND2 1 ATOM 2893 N N . MET A 1 378 ? 10.023 -13.589 25.208 1.00 9.19 ? 378 MET A N 1 ATOM 2894 C CA . MET A 1 378 ? 9.817 -12.408 26.060 1.00 8.95 ? 378 MET A CA 1 ATOM 2895 C C . MET A 1 378 ? 9.517 -12.771 27.526 1.00 9.12 ? 378 MET A C 1 ATOM 2896 O O . MET A 1 378 ? 9.006 -11.934 28.308 1.00 8.32 ? 378 MET A O 1 ATOM 2897 C CB . MET A 1 378 ? 8.688 -11.507 25.495 1.00 8.16 ? 378 MET A CB 1 ATOM 2898 C CG . MET A 1 378 ? 9.046 -10.006 25.570 1.00 8.65 ? 378 MET A CG 1 ATOM 2899 S SD . MET A 1 378 ? 10.307 -9.566 24.393 1.00 8.52 ? 378 MET A SD 1 ATOM 2900 C CE . MET A 1 378 ? 9.458 -9.694 22.846 1.00 8.18 ? 378 MET A CE 1 ATOM 2901 N N . LEU A 1 379 ? 9.871 -13.981 27.922 1.00 8.39 ? 379 LEU A N 1 ATOM 2902 C CA . LEU A 1 379 ? 9.576 -14.395 29.272 1.00 8.85 ? 379 LEU A CA 1 ATOM 2903 C C . LEU A 1 379 ? 10.340 -13.613 30.359 1.00 8.61 ? 379 LEU A C 1 ATOM 2904 O O . LEU A 1 379 ? 9.883 -13.503 31.524 1.00 8.44 ? 379 LEU A O 1 ATOM 2905 C CB . LEU A 1 379 ? 9.831 -15.898 29.388 1.00 9.43 ? 379 LEU A CB 1 ATOM 2906 C CG . LEU A 1 379 ? 9.012 -16.844 28.506 1.00 9.89 ? 379 LEU A CG 1 ATOM 2907 C CD1 . LEU A 1 379 ? 9.487 -18.277 28.666 1.00 10.96 ? 379 LEU A CD1 1 ATOM 2908 C CD2 . LEU A 1 379 ? 7.549 -16.701 28.872 1.00 11.14 ? 379 LEU A CD2 1 ATOM 2909 N N . TRP A 1 380 ? 11.537 -13.151 29.992 1.00 8.00 ? 380 TRP A N 1 ATOM 2910 C CA . TRP A 1 380 ? 12.344 -12.339 30.829 1.00 7.76 ? 380 TRP A CA 1 ATOM 2911 C C . TRP A 1 380 ? 11.689 -11.039 31.197 1.00 7.85 ? 380 TRP A C 1 ATOM 2912 O O . TRP A 1 380 ? 12.067 -10.436 32.238 1.00 7.59 ? 380 TRP A O 1 ATOM 2913 C CB . TRP A 1 380 ? 13.712 -12.031 30.165 1.00 8.27 ? 380 TRP A CB 1 ATOM 2914 C CG . TRP A 1 380 ? 13.554 -11.311 28.881 1.00 8.11 ? 380 TRP A CG 1 ATOM 2915 C CD1 . TRP A 1 380 ? 13.459 -11.875 27.672 1.00 8.81 ? 380 TRP A CD1 1 ATOM 2916 C CD2 . TRP A 1 380 ? 13.490 -9.877 28.679 1.00 8.71 ? 380 TRP A CD2 1 ATOM 2917 N NE1 . TRP A 1 380 ? 13.261 -10.919 26.718 1.00 9.24 ? 380 TRP A NE1 1 ATOM 2918 C CE2 . TRP A 1 380 ? 13.269 -9.677 27.299 1.00 8.66 ? 380 TRP A CE2 1 ATOM 2919 C CE3 . TRP A 1 380 ? 13.547 -8.770 29.535 1.00 8.23 ? 380 TRP A CE3 1 ATOM 2920 C CZ2 . TRP A 1 380 ? 13.115 -8.407 26.739 1.00 8.60 ? 380 TRP A CZ2 1 ATOM 2921 C CZ3 . TRP A 1 380 ? 13.433 -7.493 28.978 1.00 9.09 ? 380 TRP A CZ3 1 ATOM 2922 C CH2 . TRP A 1 380 ? 13.231 -7.328 27.585 1.00 7.97 ? 380 TRP A CH2 1 ATOM 2923 N N . LEU A 1 381 ? 10.787 -10.562 30.341 1.00 7.94 ? 381 LEU A N 1 ATOM 2924 C CA . LEU A 1 381 ? 10.057 -9.307 30.597 1.00 8.46 ? 381 LEU A CA 1 ATOM 2925 C C . LEU A 1 381 ? 8.760 -9.497 31.426 1.00 8.30 ? 381 LEU A C 1 ATOM 2926 O O . LEU A 1 381 ? 8.467 -8.702 32.359 1.00 8.88 ? 381 LEU A O 1 ATOM 2927 C CB . LEU A 1 381 ? 9.684 -8.623 29.247 1.00 8.12 ? 381 LEU A CB 1 ATOM 2928 C CG . LEU A 1 381 ? 8.890 -7.312 29.330 1.00 8.67 ? 381 LEU A CG 1 ATOM 2929 C CD1 . LEU A 1 381 ? 9.722 -6.243 30.023 1.00 8.36 ? 381 LEU A CD1 1 ATOM 2930 C CD2 . LEU A 1 381 ? 8.527 -6.838 27.906 1.00 8.76 ? 381 LEU A CD2 1 ATOM 2931 N N . ASP A 1 382 ? 7.928 -10.471 31.032 1.00 7.95 ? 382 ASP A N 1 ATOM 2932 C CA . ASP A 1 382 ? 6.548 -10.525 31.591 1.00 8.07 ? 382 ASP A CA 1 ATOM 2933 C C . ASP A 1 382 ? 6.107 -11.850 32.253 1.00 8.42 ? 382 ASP A C 1 ATOM 2934 O O . ASP A 1 382 ? 4.938 -12.024 32.488 1.00 7.44 ? 382 ASP A O 1 ATOM 2935 C CB . ASP A 1 382 ? 5.586 -10.150 30.491 1.00 8.41 ? 382 ASP A CB 1 ATOM 2936 C CG . ASP A 1 382 ? 5.655 -11.099 29.267 1.00 8.48 ? 382 ASP A CG 1 ATOM 2937 O OD1 . ASP A 1 382 ? 5.994 -12.332 29.424 1.00 8.55 ? 382 ASP A OD1 1 ATOM 2938 O OD2 . ASP A 1 382 ? 5.336 -10.606 28.174 1.00 8.50 ? 382 ASP A OD2 1 ATOM 2939 N N . SER A 1 383 ? 7.031 -12.792 32.449 1.00 8.63 ? 383 SER A N 1 ATOM 2940 C CA . SER A 1 383 ? 6.707 -14.077 33.027 1.00 9.64 ? 383 SER A CA 1 ATOM 2941 C C . SER A 1 383 ? 7.696 -14.418 34.163 1.00 10.53 ? 383 SER A C 1 ATOM 2942 O O . SER A 1 383 ? 8.360 -13.529 34.729 1.00 10.53 ? 383 SER A O 1 ATOM 2943 C CB . SER A 1 383 ? 6.735 -15.172 31.924 1.00 9.75 ? 383 SER A CB 1 ATOM 2944 O OG . SER A 1 383 ? 6.114 -16.387 32.340 1.00 8.55 ? 383 SER A OG 1 ATOM 2945 N N . THR A 1 384 ? 7.795 -15.713 34.448 1.00 11.06 ? 384 THR A N 1 ATOM 2946 C CA . THR A 1 384 ? 8.765 -16.253 35.355 1.00 11.33 ? 384 THR A CA 1 ATOM 2947 C C . THR A 1 384 ? 9.883 -16.858 34.548 1.00 12.36 ? 384 THR A C 1 ATOM 2948 O O . THR A 1 384 ? 9.639 -17.657 33.625 1.00 13.23 ? 384 THR A O 1 ATOM 2949 C CB . THR A 1 384 ? 8.085 -17.259 36.329 1.00 12.60 ? 384 THR A CB 1 ATOM 2950 O OG1 . THR A 1 384 ? 7.032 -16.605 37.064 1.00 14.06 ? 384 THR A OG1 1 ATOM 2951 C CG2 . THR A 1 384 ? 9.070 -17.743 37.349 1.00 13.51 ? 384 THR A CG2 1 ATOM 2952 N N . TYR A 1 385 ? 11.114 -16.452 34.895 1.00 12.52 ? 385 TYR A N 1 ATOM 2953 C CA . TYR A 1 385 ? 12.277 -16.657 34.072 1.00 12.85 ? 385 TYR A CA 1 ATOM 2954 C C . TYR A 1 385 ? 13.543 -16.689 34.909 1.00 12.42 ? 385 TYR A C 1 ATOM 2955 O O . TYR A 1 385 ? 13.747 -15.827 35.755 1.00 12.44 ? 385 TYR A O 1 ATOM 2956 C CB . TYR A 1 385 ? 12.447 -15.521 33.007 1.00 12.01 ? 385 TYR A CB 1 ATOM 2957 C CG . TYR A 1 385 ? 13.481 -15.922 32.018 1.00 12.25 ? 385 TYR A CG 1 ATOM 2958 C CD1 . TYR A 1 385 ? 13.240 -16.950 31.102 1.00 13.00 ? 385 TYR A CD1 1 ATOM 2959 C CD2 . TYR A 1 385 ? 14.722 -15.385 32.041 1.00 13.33 ? 385 TYR A CD2 1 ATOM 2960 C CE1 . TYR A 1 385 ? 14.224 -17.389 30.242 1.00 13.60 ? 385 TYR A CE1 1 ATOM 2961 C CE2 . TYR A 1 385 ? 15.699 -15.812 31.183 1.00 13.52 ? 385 TYR A CE2 1 ATOM 2962 C CZ . TYR A 1 385 ? 15.429 -16.800 30.274 1.00 13.60 ? 385 TYR A CZ 1 ATOM 2963 O OH . TYR A 1 385 ? 16.474 -17.160 29.437 1.00 14.63 ? 385 TYR A OH 1 ATOM 2964 N N . PRO A 1 386 ? 14.409 -17.669 34.696 1.00 14.38 ? 386 PRO A N 1 ATOM 2965 C CA . PRO A 1 386 ? 14.126 -18.917 33.985 1.00 14.83 ? 386 PRO A CA 1 ATOM 2966 C C . PRO A 1 386 ? 12.920 -19.642 34.504 1.00 15.05 ? 386 PRO A C 1 ATOM 2967 O O . PRO A 1 386 ? 12.522 -19.500 35.665 1.00 15.04 ? 386 PRO A O 1 ATOM 2968 C CB . PRO A 1 386 ? 15.385 -19.746 34.211 1.00 15.63 ? 386 PRO A CB 1 ATOM 2969 C CG . PRO A 1 386 ? 16.457 -18.799 34.698 1.00 15.84 ? 386 PRO A CG 1 ATOM 2970 C CD . PRO A 1 386 ? 15.731 -17.658 35.357 1.00 15.48 ? 386 PRO A CD 1 ATOM 2971 N N . THR A 1 387 ? 12.336 -20.460 33.640 1.00 18.23 ? 387 THR A N 1 ATOM 2972 C CA . THR A 1 387 ? 11.074 -21.071 33.891 1.00 20.12 ? 387 THR A CA 1 ATOM 2973 C C . THR A 1 387 ? 11.125 -22.111 35.010 1.00 22.07 ? 387 THR A C 1 ATOM 2974 O O . THR A 1 387 ? 10.081 -22.432 35.569 1.00 24.35 ? 387 THR A O 1 ATOM 2975 C CB . THR A 1 387 ? 10.503 -21.733 32.613 1.00 23.61 ? 387 THR A CB 1 ATOM 2976 O OG1 . THR A 1 387 ? 11.417 -22.750 32.158 1.00 25.43 ? 387 THR A OG1 1 ATOM 2977 C CG2 . THR A 1 387 ? 10.282 -20.666 31.507 1.00 24.97 ? 387 THR A CG2 1 ATOM 2978 N N . ASN A 1 388 ? 12.324 -22.612 35.317 1.00 19.25 ? 388 ASN A N 1 ATOM 2979 C CA . ASN A 1 388 ? 12.568 -23.455 36.515 1.00 20.75 ? 388 ASN A CA 1 ATOM 2980 C C . ASN A 1 388 ? 13.077 -22.746 37.780 1.00 19.32 ? 388 ASN A C 1 ATOM 2981 O O . ASN A 1 388 ? 13.637 -23.384 38.684 1.00 20.47 ? 388 ASN A O 1 ATOM 2982 C CB . ASN A 1 388 ? 13.569 -24.577 36.183 1.00 19.04 ? 388 ASN A CB 1 ATOM 2983 C CG . ASN A 1 388 ? 14.922 -24.056 35.751 1.00 22.60 ? 388 ASN A CG 1 ATOM 2984 O OD1 . ASN A 1 388 ? 15.293 -22.913 36.026 1.00 18.36 ? 388 ASN A OD1 1 ATOM 2985 N ND2 . ASN A 1 388 ? 15.703 -24.941 35.063 1.00 23.43 ? 388 ASN A ND2 1 ATOM 2986 N N . ALA A 1 389 ? 12.906 -21.432 37.850 1.00 18.84 ? 389 ALA A N 1 ATOM 2987 C CA . ALA A 1 389 ? 13.424 -20.704 38.982 1.00 16.02 ? 389 ALA A CA 1 ATOM 2988 C C . ALA A 1 389 ? 12.293 -20.205 39.859 1.00 15.80 ? 389 ALA A C 1 ATOM 2989 O O . ALA A 1 389 ? 12.565 -19.371 40.736 1.00 12.18 ? 389 ALA A O 1 ATOM 2990 C CB . ALA A 1 389 ? 14.258 -19.547 38.477 1.00 18.13 ? 389 ALA A CB 1 ATOM 2991 N N . THR A 1 390 ? 11.051 -20.673 39.607 1.00 12.94 ? 390 THR A N 1 ATOM 2992 C CA . THR A 1 390 ? 9.893 -20.278 40.427 1.00 13.85 ? 390 THR A CA 1 ATOM 2993 C C . THR A 1 390 ? 10.207 -20.357 41.906 1.00 13.55 ? 390 THR A C 1 ATOM 2994 O O . THR A 1 390 ? 10.738 -21.388 42.415 1.00 13.54 ? 390 THR A O 1 ATOM 2995 C CB . THR A 1 390 ? 8.658 -21.181 40.130 1.00 14.13 ? 390 THR A CB 1 ATOM 2996 O OG1 . THR A 1 390 ? 8.372 -21.091 38.760 1.00 15.74 ? 390 THR A OG1 1 ATOM 2997 C CG2 . THR A 1 390 ? 7.414 -20.806 40.953 1.00 17.23 ? 390 THR A CG2 1 ATOM 2998 N N . GLY A 1 391 ? 9.856 -19.271 42.581 1.00 11.33 ? 391 GLY A N 1 ATOM 2999 C CA . GLY A 1 391 ? 10.056 -19.095 43.993 1.00 11.73 ? 391 GLY A CA 1 ATOM 3000 C C . GLY A 1 391 ? 11.269 -18.266 44.303 1.00 10.73 ? 391 GLY A C 1 ATOM 3001 O O . GLY A 1 391 ? 11.337 -17.690 45.401 1.00 12.36 ? 391 GLY A O 1 ATOM 3002 N N . THR A 1 392 ? 12.216 -18.154 43.353 1.00 9.96 ? 392 THR A N 1 ATOM 3003 C CA . THR A 1 392 ? 13.417 -17.449 43.698 1.00 9.50 ? 392 THR A CA 1 ATOM 3004 C C . THR A 1 392 ? 13.265 -15.935 43.490 1.00 10.06 ? 392 THR A C 1 ATOM 3005 O O . THR A 1 392 ? 12.480 -15.490 42.661 1.00 10.54 ? 392 THR A O 1 ATOM 3006 C CB . THR A 1 392 ? 14.688 -17.970 42.979 1.00 9.56 ? 392 THR A CB 1 ATOM 3007 O OG1 . THR A 1 392 ? 14.578 -17.792 41.563 1.00 8.82 ? 392 THR A OG1 1 ATOM 3008 C CG2 . THR A 1 392 ? 14.957 -19.420 43.385 1.00 9.33 ? 392 THR A CG2 1 ATOM 3009 N N . PRO A 1 393 ? 14.026 -15.148 44.258 1.00 11.43 ? 393 PRO A N 1 ATOM 3010 C CA . PRO A 1 393 ? 13.869 -13.717 44.119 1.00 11.21 ? 393 PRO A CA 1 ATOM 3011 C C . PRO A 1 393 ? 14.238 -13.253 42.705 1.00 9.81 ? 393 PRO A C 1 ATOM 3012 O O . PRO A 1 393 ? 15.305 -13.610 42.201 1.00 9.35 ? 393 PRO A O 1 ATOM 3013 C CB . PRO A 1 393 ? 14.898 -13.165 45.125 1.00 11.72 ? 393 PRO A CB 1 ATOM 3014 C CG . PRO A 1 393 ? 14.993 -14.235 46.174 1.00 12.75 ? 393 PRO A CG 1 ATOM 3015 C CD . PRO A 1 393 ? 14.993 -15.486 45.332 1.00 12.77 ? 393 PRO A CD 1 ATOM 3016 N N . GLY A 1 394 ? 13.360 -12.459 42.141 1.00 9.95 ? 394 GLY A N 1 ATOM 3017 C CA . GLY A 1 394 ? 13.574 -11.852 40.843 1.00 9.66 ? 394 GLY A CA 1 ATOM 3018 C C . GLY A 1 394 ? 13.170 -12.758 39.682 1.00 9.13 ? 394 GLY A C 1 ATOM 3019 O O . GLY A 1 394 ? 13.213 -12.329 38.542 1.00 8.21 ? 394 GLY A O 1 ATOM 3020 N N . ALA A 1 395 ? 12.748 -14.007 39.968 1.00 8.41 ? 395 ALA A N 1 ATOM 3021 C CA . ALA A 1 395 ? 12.347 -14.896 38.915 1.00 8.59 ? 395 ALA A CA 1 ATOM 3022 C C . ALA A 1 395 ? 11.071 -14.420 38.199 1.00 8.46 ? 395 ALA A C 1 ATOM 3023 O O . ALA A 1 395 ? 11.017 -14.409 36.972 1.00 9.17 ? 395 ALA A O 1 ATOM 3024 C CB . ALA A 1 395 ? 12.154 -16.291 39.430 1.00 8.32 ? 395 ALA A CB 1 ATOM 3025 N N . ALA A 1 396 ? 10.115 -13.966 38.987 1.00 8.03 ? 396 ALA A N 1 ATOM 3026 C CA . ALA A 1 396 ? 8.836 -13.485 38.495 1.00 8.08 ? 396 ALA A CA 1 ATOM 3027 C C . ALA A 1 396 ? 8.958 -12.020 38.038 1.00 7.96 ? 396 ALA A C 1 ATOM 3028 O O . ALA A 1 396 ? 9.287 -11.155 38.835 1.00 8.72 ? 396 ALA A O 1 ATOM 3029 C CB . ALA A 1 396 ? 7.792 -13.647 39.610 1.00 8.17 ? 396 ALA A CB 1 ATOM 3030 N N . ARG A 1 397 ? 8.713 -11.795 36.750 1.00 8.19 ? 397 ARG A N 1 ATOM 3031 C CA . ARG A 1 397 ? 8.777 -10.465 36.155 1.00 7.76 ? 397 ARG A CA 1 ATOM 3032 C C . ARG A 1 397 ? 7.406 -9.916 35.693 1.00 7.63 ? 397 ARG A C 1 ATOM 3033 O O . ARG A 1 397 ? 7.298 -8.719 35.349 1.00 6.91 ? 397 ARG A O 1 ATOM 3034 C CB . ARG A 1 397 ? 9.812 -10.414 35.025 1.00 8.00 ? 397 ARG A CB 1 ATOM 3035 C CG . ARG A 1 397 ? 11.221 -10.927 35.448 1.00 7.72 ? 397 ARG A CG 1 ATOM 3036 C CD . ARG A 1 397 ? 11.591 -12.270 34.846 1.00 8.26 ? 397 ARG A CD 1 ATOM 3037 N NE . ARG A 1 397 ? 12.868 -12.725 35.341 1.00 8.14 ? 397 ARG A NE 1 ATOM 3038 C CZ . ARG A 1 397 ? 14.080 -12.335 34.934 1.00 9.02 ? 397 ARG A CZ 1 ATOM 3039 N NH1 . ARG A 1 397 ? 15.184 -12.831 35.532 1.00 9.05 ? 397 ARG A NH1 1 ATOM 3040 N NH2 . ARG A 1 397 ? 14.241 -11.476 33.972 1.00 8.88 ? 397 ARG A NH2 1 ATOM 3041 N N . GLY A 1 398 ? 6.415 -10.801 35.624 1.00 7.91 ? 398 GLY A N 1 ATOM 3042 C CA . GLY A 1 398 ? 5.041 -10.402 35.331 1.00 8.59 ? 398 GLY A CA 1 ATOM 3043 C C . GLY A 1 398 ? 4.138 -11.596 35.435 1.00 9.64 ? 398 GLY A C 1 ATOM 3044 O O . GLY A 1 398 ? 4.566 -12.691 35.875 1.00 9.73 ? 398 GLY A O 1 ATOM 3045 N N . THR A 1 399 ? 2.882 -11.391 35.049 1.00 10.58 ? 399 THR A N 1 ATOM 3046 C CA . THR A 1 399 ? 1.868 -12.399 35.325 1.00 11.86 ? 399 THR A CA 1 ATOM 3047 C C . THR A 1 399 ? 1.670 -13.400 34.197 1.00 12.71 ? 399 THR A C 1 ATOM 3048 O O . THR A 1 399 ? 0.805 -14.283 34.282 1.00 12.94 ? 399 THR A O 1 ATOM 3049 C CB . THR A 1 399 ? 0.548 -11.700 35.606 1.00 12.61 ? 399 THR A CB 1 ATOM 3050 O OG1 . THR A 1 399 ? 0.201 -10.883 34.487 1.00 12.02 ? 399 THR A OG1 1 ATOM 3051 C CG2 . THR A 1 399 ? 0.671 -10.862 36.799 1.00 12.39 ? 399 THR A CG2 1 ATOM 3052 N N . CYS A 1 400 ? 2.404 -13.260 33.089 1.00 12.25 ? 400 CYS A N 1 ATOM 3053 C CA . CYS A 1 400 ? 2.150 -14.110 31.929 1.00 12.02 ? 400 CYS A CA 1 ATOM 3054 C C . CYS A 1 400 ? 2.606 -15.539 32.229 1.00 12.32 ? 400 CYS A C 1 ATOM 3055 O O . CYS A 1 400 ? 3.638 -15.773 32.883 1.00 12.08 ? 400 CYS A O 1 ATOM 3056 C CB . CYS A 1 400 ? 2.920 -13.608 30.698 1.00 12.58 ? 400 CYS A CB 1 ATOM 3057 S SG . CYS A 1 400 ? 2.412 -11.942 30.146 1.00 13.76 ? 400 CYS A SG 1 ATOM 3058 N N . ALA A 1 401 ? 1.903 -16.491 31.642 1.00 13.23 ? 401 ALA A N 1 ATOM 3059 C CA . ALA A 1 401 ? 2.265 -17.901 31.783 1.00 14.04 ? 401 ALA A CA 1 ATOM 3060 C C . ALA A 1 401 ? 3.592 -18.180 31.118 1.00 14.02 ? 401 ALA A C 1 ATOM 3061 O O . ALA A 1 401 ? 3.937 -17.579 30.079 1.00 13.88 ? 401 ALA A O 1 ATOM 3062 C CB . ALA A 1 401 ? 1.178 -18.818 31.220 1.00 14.32 ? 401 ALA A CB 1 ATOM 3063 N N . THR A 1 402 ? 4.305 -19.149 31.669 1.00 14.74 ? 402 THR A N 1 ATOM 3064 C CA . THR A 1 402 ? 5.600 -19.537 31.054 1.00 15.94 ? 402 THR A CA 1 ATOM 3065 C C . THR A 1 402 ? 5.458 -20.188 29.648 1.00 15.92 ? 402 THR A C 1 ATOM 3066 O O . THR A 1 402 ? 6.466 -20.299 28.940 1.00 17.45 ? 402 THR A O 1 ATOM 3067 C CB . THR A 1 402 ? 6.409 -20.517 31.939 1.00 16.74 ? 402 THR A CB 1 ATOM 3068 O OG1 . THR A 1 402 ? 5.626 -21.689 32.147 1.00 18.48 ? 402 THR A OG1 1 ATOM 3069 C CG2 . THR A 1 402 ? 6.834 -19.873 33.256 1.00 17.35 ? 402 THR A CG2 1 ATOM 3070 N N . THR A 1 403 ? 4.242 -20.578 29.246 1.00 16.15 ? 403 THR A N 1 ATOM 3071 C CA . THR A 1 403 ? 3.919 -21.010 27.880 1.00 17.80 ? 403 THR A CA 1 ATOM 3072 C C . THR A 1 403 ? 3.584 -19.859 26.909 1.00 17.50 ? 403 THR A C 1 ATOM 3073 O O . THR A 1 403 ? 3.348 -20.090 25.741 1.00 18.51 ? 403 THR A O 1 ATOM 3074 C CB . THR A 1 403 ? 2.673 -21.912 27.891 1.00 20.59 ? 403 THR A CB 1 ATOM 3075 O OG1 . THR A 1 403 ? 1.601 -21.161 28.496 1.00 20.16 ? 403 THR A OG1 1 ATOM 3076 C CG2 . THR A 1 403 ? 2.952 -23.210 28.688 1.00 22.08 ? 403 THR A CG2 1 ATOM 3077 N N . SER A 1 404 ? 3.588 -18.622 27.384 1.00 14.60 ? 404 SER A N 1 ATOM 3078 C CA . SER A 1 404 ? 3.218 -17.492 26.577 1.00 13.69 ? 404 SER A CA 1 ATOM 3079 C C . SER A 1 404 ? 4.331 -17.052 25.606 1.00 13.42 ? 404 SER A C 1 ATOM 3080 O O . SER A 1 404 ? 5.535 -17.437 25.714 1.00 13.01 ? 404 SER A O 1 ATOM 3081 C CB . SER A 1 404 ? 2.815 -16.291 27.480 1.00 15.04 ? 404 SER A CB 1 ATOM 3082 O OG . SER A 1 404 ? 3.960 -15.802 28.094 1.00 15.18 ? 404 SER A OG 1 ATOM 3083 N N . GLY A 1 405 ? 3.941 -16.217 24.646 1.00 13.27 ? 405 GLY A N 1 ATOM 3084 C CA . GLY A 1 405 ? 4.930 -15.503 23.844 1.00 13.05 ? 405 GLY A CA 1 ATOM 3085 C C . GLY A 1 405 ? 5.617 -16.254 22.723 1.00 12.33 ? 405 GLY A C 1 ATOM 3086 O O . GLY A 1 405 ? 6.580 -15.763 22.130 1.00 11.36 ? 405 GLY A O 1 ATOM 3087 N N . ASP A 1 406 ? 5.102 -17.430 22.382 1.00 12.91 ? 406 ASP A N 1 ATOM 3088 C CA . ASP A 1 406 ? 5.571 -18.115 21.197 1.00 14.38 ? 406 ASP A CA 1 ATOM 3089 C C . ASP A 1 406 ? 5.203 -17.299 19.925 1.00 12.98 ? 406 ASP A C 1 ATOM 3090 O O . ASP A 1 406 ? 4.040 -17.023 19.678 1.00 12.47 ? 406 ASP A O 1 ATOM 3091 C CB . ASP A 1 406 ? 5.016 -19.541 21.069 1.00 14.89 ? 406 ASP A CB 1 ATOM 3092 C CG . ASP A 1 406 ? 5.289 -20.112 19.717 1.00 17.37 ? 406 ASP A CG 1 ATOM 3093 O OD1 . ASP A 1 406 ? 6.483 -20.353 19.461 1.00 19.63 ? 406 ASP A OD1 1 ATOM 3094 O OD2 . ASP A 1 406 ? 4.349 -20.250 18.882 1.00 18.80 ? 406 ASP A OD2 1 ATOM 3095 N N . PRO A 1 407 ? 6.214 -16.847 19.167 1.00 12.16 ? 407 PRO A N 1 ATOM 3096 C CA . PRO A 1 407 ? 5.913 -15.947 18.045 1.00 12.82 ? 407 PRO A CA 1 ATOM 3097 C C . PRO A 1 407 ? 4.799 -16.394 17.114 1.00 12.95 ? 407 PRO A C 1 ATOM 3098 O O . PRO A 1 407 ? 3.904 -15.634 16.854 1.00 12.18 ? 407 PRO A O 1 ATOM 3099 C CB . PRO A 1 407 ? 7.247 -15.847 17.299 1.00 11.80 ? 407 PRO A CB 1 ATOM 3100 C CG . PRO A 1 407 ? 8.256 -15.973 18.386 1.00 12.48 ? 407 PRO A CG 1 ATOM 3101 C CD . PRO A 1 407 ? 7.667 -17.006 19.319 1.00 13.03 ? 407 PRO A CD 1 ATOM 3102 N N . LYS A 1 408 ? 4.855 -17.611 16.601 1.00 15.63 ? 408 LYS A N 1 ATOM 3103 C CA . LYS A 1 408 ? 3.810 -18.020 15.659 1.00 17.40 ? 408 LYS A CA 1 ATOM 3104 C C . LYS A 1 408 ? 2.478 -18.058 16.354 1.00 16.20 ? 408 LYS A C 1 ATOM 3105 O O . LYS A 1 408 ? 1.445 -17.750 15.745 1.00 18.80 ? 408 LYS A O 1 ATOM 3106 C CB . LYS A 1 408 ? 4.140 -19.355 14.961 1.00 21.07 ? 408 LYS A CB 1 ATOM 3107 C CG . LYS A 1 408 ? 5.308 -19.192 13.991 1.00 25.59 ? 408 LYS A CG 1 ATOM 3108 C CD . LYS A 1 408 ? 5.536 -20.409 13.073 1.00 29.87 ? 408 LYS A CD 1 ATOM 3109 C CE . LYS A 1 408 ? 6.170 -19.953 11.741 1.00 34.96 ? 408 LYS A CE 1 ATOM 3110 N NZ . LYS A 1 408 ? 7.400 -19.067 11.864 1.00 32.28 ? 408 LYS A NZ 1 ATOM 3111 N N . THR A 1 409 ? 2.479 -18.349 17.646 1.00 15.33 ? 409 THR A N 1 ATOM 3112 C CA . THR A 1 409 ? 1.200 -18.346 18.372 1.00 15.25 ? 409 THR A CA 1 ATOM 3113 C C . THR A 1 409 ? 0.633 -16.954 18.518 1.00 13.45 ? 409 THR A C 1 ATOM 3114 O O . THR A 1 409 ? -0.546 -16.734 18.246 1.00 12.25 ? 409 THR A O 1 ATOM 3115 C CB . THR A 1 409 ? 1.350 -19.039 19.738 1.00 16.41 ? 409 THR A CB 1 ATOM 3116 O OG1 . THR A 1 409 ? 1.797 -20.386 19.512 1.00 17.47 ? 409 THR A OG1 1 ATOM 3117 C CG2 . THR A 1 409 ? 0.036 -19.052 20.557 1.00 17.67 ? 409 THR A CG2 1 ATOM 3118 N N . VAL A 1 410 ? 1.443 -16.000 18.989 1.00 12.14 ? 410 VAL A N 1 ATOM 3119 C CA . VAL A 1 410 ? 0.914 -14.664 19.266 1.00 11.94 ? 410 VAL A CA 1 ATOM 3120 C C . VAL A 1 410 ? 0.616 -13.914 17.958 1.00 10.38 ? 410 VAL A C 1 ATOM 3121 O O . VAL A 1 410 ? -0.249 -13.014 17.888 1.00 9.71 ? 410 VAL A O 1 ATOM 3122 C CB . VAL A 1 410 ? 1.845 -13.863 20.241 1.00 11.90 ? 410 VAL A CB 1 ATOM 3123 C CG1 . VAL A 1 410 ? 2.093 -14.602 21.554 1.00 11.85 ? 410 VAL A CG1 1 ATOM 3124 C CG2 . VAL A 1 410 ? 3.178 -13.566 19.596 1.00 12.66 ? 410 VAL A CG2 1 ATOM 3125 N N . GLU A 1 411 ? 1.359 -14.252 16.912 1.00 10.37 ? 411 GLU A N 1 ATOM 3126 C CA . GLU A 1 411 ? 1.111 -13.653 15.586 1.00 11.15 ? 411 GLU A CA 1 ATOM 3127 C C . GLU A 1 411 ? -0.230 -14.121 14.976 1.00 11.39 ? 411 GLU A C 1 ATOM 3128 O O . GLU A 1 411 ? -0.930 -13.345 14.359 1.00 11.39 ? 411 GLU A O 1 ATOM 3129 C CB . GLU A 1 411 ? 2.239 -13.974 14.635 1.00 11.17 ? 411 GLU A CB 1 ATOM 3130 C CG . GLU A 1 411 ? 3.532 -13.268 15.005 1.00 11.25 ? 411 GLU A CG 1 ATOM 3131 C CD . GLU A 1 411 ? 4.782 -13.868 14.393 1.00 12.32 ? 411 GLU A CD 1 ATOM 3132 O OE1 . GLU A 1 411 ? 4.656 -14.682 13.401 1.00 14.59 ? 411 GLU A OE1 1 ATOM 3133 O OE2 . GLU A 1 411 ? 5.910 -13.596 14.919 1.00 11.10 ? 411 GLU A OE2 1 ATOM 3134 N N . SER A 1 412 ? -0.563 -15.388 15.203 1.00 12.28 ? 412 SER A N 1 ATOM 3135 C CA . SER A 1 412 ? -1.884 -15.951 14.806 1.00 13.75 ? 412 SER A CA 1 ATOM 3136 C C . SER A 1 412 ? -3.041 -15.412 15.647 1.00 13.07 ? 412 SER A C 1 ATOM 3137 O O . SER A 1 412 ? -4.122 -15.068 15.149 1.00 12.42 ? 412 SER A O 1 ATOM 3138 C CB . SER A 1 412 ? -1.811 -17.489 14.887 1.00 15.05 ? 412 SER A CB 1 ATOM 3139 O OG . SER A 1 412 ? -3.043 -18.093 14.560 1.00 20.31 ? 412 SER A OG 1 ATOM 3140 N N A GLN A 1 413 ? -2.843 -15.307 16.941 0.65 13.34 ? 413 GLN A N 1 ATOM 3141 N N B GLN A 1 413 ? -2.801 -15.330 16.944 0.35 13.33 ? 413 GLN A N 1 ATOM 3142 C CA A GLN A 1 413 ? -3.935 -14.911 17.812 0.65 13.02 ? 413 GLN A CA 1 ATOM 3143 C CA B GLN A 1 413 ? -3.845 -15.005 17.895 0.35 13.20 ? 413 GLN A CA 1 ATOM 3144 C C A GLN A 1 413 ? -4.121 -13.409 17.983 0.65 12.43 ? 413 GLN A C 1 ATOM 3145 C C B GLN A 1 413 ? -4.070 -13.483 18.103 0.35 12.64 ? 413 GLN A C 1 ATOM 3146 O O A GLN A 1 413 ? -5.249 -12.905 18.145 0.65 11.11 ? 413 GLN A O 1 ATOM 3147 O O B GLN A 1 413 ? -5.197 -13.044 18.362 0.35 11.95 ? 413 GLN A O 1 ATOM 3148 C CB A GLN A 1 413 ? -3.680 -15.565 19.181 0.65 14.89 ? 413 GLN A CB 1 ATOM 3149 C CB B GLN A 1 413 ? -3.528 -15.757 19.220 0.35 14.30 ? 413 GLN A CB 1 ATOM 3150 C CG A GLN A 1 413 ? -4.597 -15.102 20.303 0.65 15.21 ? 413 GLN A CG 1 ATOM 3151 C CG B GLN A 1 413 ? -3.530 -17.288 19.080 0.35 14.72 ? 413 GLN A CG 1 ATOM 3152 C CD A GLN A 1 413 ? -4.442 -15.986 21.526 0.65 16.60 ? 413 GLN A CD 1 ATOM 3153 C CD B GLN A 1 413 ? -3.409 -18.061 20.399 0.35 15.95 ? 413 GLN A CD 1 ATOM 3154 O OE1 A GLN A 1 413 ? -3.373 -16.011 22.162 0.65 16.70 ? 413 GLN A OE1 1 ATOM 3155 O OE1 B GLN A 1 413 ? -3.357 -19.306 20.415 0.35 17.55 ? 413 GLN A OE1 1 ATOM 3156 N NE2 A GLN A 1 413 ? -5.479 -16.759 21.836 0.65 16.69 ? 413 GLN A NE2 1 ATOM 3157 N NE2 B GLN A 1 413 ? -3.336 -17.339 21.502 0.35 16.46 ? 413 GLN A NE2 1 ATOM 3158 N N . SER A 1 414 ? -3.002 -12.687 17.976 1.00 11.79 ? 414 SER A N 1 ATOM 3159 C CA . SER A 1 414 ? -3.000 -11.267 18.351 1.00 12.60 ? 414 SER A CA 1 ATOM 3160 C C . SER A 1 414 ? -2.344 -10.400 17.291 1.00 12.35 ? 414 SER A C 1 ATOM 3161 O O . SER A 1 414 ? -1.681 -9.392 17.596 1.00 11.29 ? 414 SER A O 1 ATOM 3162 C CB . SER A 1 414 ? -2.269 -11.126 19.684 1.00 13.53 ? 414 SER A CB 1 ATOM 3163 O OG . SER A 1 414 ? -2.918 -11.910 20.697 1.00 15.55 ? 414 SER A OG 1 ATOM 3164 N N . GLY A 1 415 ? -2.592 -10.739 16.023 1.00 11.17 ? 415 GLY A N 1 ATOM 3165 C CA . GLY A 1 415 ? -2.009 -9.991 14.920 1.00 11.91 ? 415 GLY A CA 1 ATOM 3166 C C . GLY A 1 415 ? -2.341 -8.542 14.885 1.00 11.50 ? 415 GLY A C 1 ATOM 3167 O O . GLY A 1 415 ? -1.520 -7.758 14.396 1.00 14.31 ? 415 GLY A O 1 ATOM 3168 N N . SER A 1 416 ? -3.528 -8.168 15.364 1.00 11.85 ? 416 SER A N 1 ATOM 3169 C CA . SER A 1 416 ? -4.006 -6.756 15.370 1.00 12.23 ? 416 SER A CA 1 ATOM 3170 C C . SER A 1 416 ? -3.423 -5.868 16.471 1.00 10.50 ? 416 SER A C 1 ATOM 3171 O O . SER A 1 416 ? -3.792 -4.676 16.607 1.00 10.99 ? 416 SER A O 1 ATOM 3172 C CB . SER A 1 416 ? -5.545 -6.662 15.368 1.00 13.68 ? 416 SER A CB 1 ATOM 3173 O OG . SER A 1 416 ? -6.074 -6.959 16.624 1.00 16.49 ? 416 SER A OG 1 ATOM 3174 N N . SER A 1 417 ? -2.521 -6.446 17.241 1.00 9.78 ? 417 SER A N 1 ATOM 3175 C CA . SER A 1 417 ? -1.810 -5.718 18.294 1.00 9.08 ? 417 SER A CA 1 ATOM 3176 C C . SER A 1 417 ? -1.058 -4.520 17.679 1.00 8.52 ? 417 SER A C 1 ATOM 3177 O O . SER A 1 417 ? -0.711 -4.525 16.487 1.00 8.06 ? 417 SER A O 1 ATOM 3178 C CB . SER A 1 417 ? -0.821 -6.626 19.002 1.00 9.26 ? 417 SER A CB 1 ATOM 3179 O OG . SER A 1 417 ? -1.462 -7.697 19.727 1.00 9.85 ? 417 SER A OG 1 ATOM 3180 N N A TYR A 1 418 ? -0.818 -3.512 18.514 0.41 8.30 ? 418 TYR A N 1 ATOM 3181 N N B TYR A 1 418 ? -0.843 -3.497 18.499 0.59 8.42 ? 418 TYR A N 1 ATOM 3182 C CA A TYR A 1 418 ? -0.150 -2.303 18.083 0.41 8.16 ? 418 TYR A CA 1 ATOM 3183 C CA B TYR A 1 418 ? -0.092 -2.337 18.073 0.59 8.36 ? 418 TYR A CA 1 ATOM 3184 C C A TYR A 1 418 ? 0.362 -1.583 19.299 0.41 7.96 ? 418 TYR A C 1 ATOM 3185 C C B TYR A 1 418 ? 0.329 -1.555 19.276 0.59 8.06 ? 418 TYR A C 1 ATOM 3186 O O A TYR A 1 418 ? -0.046 -1.873 20.413 0.41 8.10 ? 418 TYR A O 1 ATOM 3187 O O B TYR A 1 418 ? -0.173 -1.782 20.354 0.59 8.35 ? 418 TYR A O 1 ATOM 3188 C CB A TYR A 1 418 ? -1.102 -1.384 17.323 0.41 8.27 ? 418 TYR A CB 1 ATOM 3189 C CB B TYR A 1 418 ? -0.879 -1.451 17.106 0.59 8.61 ? 418 TYR A CB 1 ATOM 3190 C CG A TYR A 1 418 ? -2.106 -0.662 18.205 0.41 8.47 ? 418 TYR A CG 1 ATOM 3191 C CG B TYR A 1 418 ? -2.131 -0.759 17.645 0.59 9.24 ? 418 TYR A CG 1 ATOM 3192 C CD1 A TYR A 1 418 ? -1.783 0.523 18.847 0.41 8.80 ? 418 TYR A CD1 1 ATOM 3193 C CD1 B TYR A 1 418 ? -3.375 -1.381 17.584 0.59 9.98 ? 418 TYR A CD1 1 ATOM 3194 C CD2 A TYR A 1 418 ? -3.375 -1.144 18.358 0.41 8.92 ? 418 TYR A CD2 1 ATOM 3195 C CD2 B TYR A 1 418 ? -2.093 0.569 18.055 0.59 9.63 ? 418 TYR A CD2 1 ATOM 3196 C CE1 A TYR A 1 418 ? -2.699 1.193 19.637 0.41 8.74 ? 418 TYR A CE1 1 ATOM 3197 C CE1 B TYR A 1 418 ? -4.528 -0.741 18.025 0.59 10.16 ? 418 TYR A CE1 1 ATOM 3198 C CE2 A TYR A 1 418 ? -4.293 -0.491 19.133 0.41 9.29 ? 418 TYR A CE2 1 ATOM 3199 C CE2 B TYR A 1 418 ? -3.228 1.228 18.504 0.59 9.85 ? 418 TYR A CE2 1 ATOM 3200 C CZ A TYR A 1 418 ? -3.939 0.685 19.779 0.41 9.18 ? 418 TYR A CZ 1 ATOM 3201 C CZ B TYR A 1 418 ? -4.454 0.588 18.469 0.59 10.52 ? 418 TYR A CZ 1 ATOM 3202 O OH A TYR A 1 418 ? -4.863 1.321 20.550 0.41 9.33 ? 418 TYR A OH 1 ATOM 3203 O OH B TYR A 1 418 ? -5.602 1.237 18.894 0.59 11.81 ? 418 TYR A OH 1 ATOM 3204 N N . VAL A 1 419 ? 1.297 -0.671 19.067 1.00 7.97 ? 419 VAL A N 1 ATOM 3205 C CA . VAL A 1 419 ? 1.777 0.248 20.086 1.00 7.49 ? 419 VAL A CA 1 ATOM 3206 C C . VAL A 1 419 ? 1.743 1.621 19.470 1.00 7.92 ? 419 VAL A C 1 ATOM 3207 O O . VAL A 1 419 ? 2.051 1.786 18.292 1.00 7.66 ? 419 VAL A O 1 ATOM 3208 C CB . VAL A 1 419 ? 3.215 -0.102 20.611 1.00 7.49 ? 419 VAL A CB 1 ATOM 3209 C CG1 . VAL A 1 419 ? 4.271 0.003 19.551 1.00 7.71 ? 419 VAL A CG1 1 ATOM 3210 C CG2 . VAL A 1 419 ? 3.546 0.772 21.807 1.00 7.30 ? 419 VAL A CG2 1 ATOM 3211 N N . THR A 1 420 ? 1.351 2.610 20.258 1.00 8.11 ? 420 THR A N 1 ATOM 3212 C CA . THR A 1 420 ? 1.438 4.019 19.840 1.00 8.04 ? 420 THR A CA 1 ATOM 3213 C C . THR A 1 420 ? 2.328 4.786 20.835 1.00 7.93 ? 420 THR A C 1 ATOM 3214 O O . THR A 1 420 ? 2.037 4.820 22.068 1.00 7.47 ? 420 THR A O 1 ATOM 3215 C CB . THR A 1 420 ? 0.062 4.651 19.866 1.00 8.60 ? 420 THR A CB 1 ATOM 3216 O OG1 . THR A 1 420 ? -0.793 3.855 19.014 1.00 10.00 ? 420 THR A OG1 1 ATOM 3217 C CG2 . THR A 1 420 ? 0.116 6.103 19.374 1.00 8.77 ? 420 THR A CG2 1 ATOM 3218 N N . PHE A 1 421 ? 3.342 5.414 20.281 1.00 7.73 ? 421 PHE A N 1 ATOM 3219 C CA . PHE A 1 421 ? 4.252 6.355 20.964 1.00 7.68 ? 421 PHE A CA 1 ATOM 3220 C C . PHE A 1 421 ? 3.937 7.809 20.562 1.00 8.10 ? 421 PHE A C 1 ATOM 3221 O O . PHE A 1 421 ? 3.682 8.093 19.400 1.00 8.68 ? 421 PHE A O 1 ATOM 3222 C CB . PHE A 1 421 ? 5.684 6.054 20.588 1.00 8.08 ? 421 PHE A CB 1 ATOM 3223 C CG . PHE A 1 421 ? 6.200 4.710 21.073 1.00 8.59 ? 421 PHE A CG 1 ATOM 3224 C CD1 . PHE A 1 421 ? 6.419 4.453 22.425 1.00 9.10 ? 421 PHE A CD1 1 ATOM 3225 C CD2 . PHE A 1 421 ? 6.527 3.728 20.141 1.00 9.41 ? 421 PHE A CD2 1 ATOM 3226 C CE1 . PHE A 1 421 ? 6.940 3.184 22.847 1.00 9.72 ? 421 PHE A CE1 1 ATOM 3227 C CE2 . PHE A 1 421 ? 7.070 2.507 20.545 1.00 9.73 ? 421 PHE A CE2 1 ATOM 3228 C CZ . PHE A 1 421 ? 7.260 2.241 21.918 1.00 9.12 ? 421 PHE A CZ 1 ATOM 3229 N N . SER A 1 422 ? 3.922 8.743 21.514 1.00 8.20 ? 422 SER A N 1 ATOM 3230 C CA . SER A 1 422 ? 3.573 10.104 21.191 1.00 8.43 ? 422 SER A CA 1 ATOM 3231 C C . SER A 1 422 ? 4.231 11.129 22.117 1.00 8.15 ? 422 SER A C 1 ATOM 3232 O O . SER A 1 422 ? 4.751 10.806 23.145 1.00 7.07 ? 422 SER A O 1 ATOM 3233 C CB . SER A 1 422 ? 2.030 10.314 21.247 1.00 8.88 ? 422 SER A CB 1 ATOM 3234 O OG . SER A 1 422 ? 1.482 10.011 22.522 1.00 9.03 ? 422 SER A OG 1 ATOM 3235 N N . ASP A 1 423 ? 4.170 12.370 21.670 1.00 8.33 ? 423 ASP A N 1 ATOM 3236 C CA . ASP A 1 423 ? 4.613 13.519 22.373 1.00 9.08 ? 423 ASP A CA 1 ATOM 3237 C C . ASP A 1 423 ? 5.979 13.358 23.043 1.00 8.19 ? 423 ASP A C 1 ATOM 3238 O O . ASP A 1 423 ? 6.114 13.481 24.253 1.00 7.73 ? 423 ASP A O 1 ATOM 3239 C CB . ASP A 1 423 ? 3.545 13.887 23.382 1.00 10.67 ? 423 ASP A CB 1 ATOM 3240 C CG . ASP A 1 423 ? 3.700 15.327 23.975 1.00 12.00 ? 423 ASP A CG 1 ATOM 3241 O OD1 . ASP A 1 423 ? 4.496 16.202 23.507 1.00 12.21 ? 423 ASP A OD1 1 ATOM 3242 O OD2 . ASP A 1 423 ? 2.963 15.555 25.007 1.00 13.94 ? 423 ASP A OD2 1 ATOM 3243 N N . ILE A 1 424 ? 6.972 13.129 22.220 1.00 7.70 ? 424 ILE A N 1 ATOM 3244 C CA . ILE A 1 424 ? 8.348 13.039 22.680 1.00 8.02 ? 424 ILE A CA 1 ATOM 3245 C C . ILE A 1 424 ? 8.829 14.424 23.024 1.00 7.58 ? 424 ILE A C 1 ATOM 3246 O O . ILE A 1 424 ? 8.614 15.351 22.226 1.00 7.65 ? 424 ILE A O 1 ATOM 3247 C CB . ILE A 1 424 ? 9.233 12.422 21.581 1.00 8.24 ? 424 ILE A CB 1 ATOM 3248 C CG1 . ILE A 1 424 ? 8.903 10.957 21.408 1.00 8.69 ? 424 ILE A CG1 1 ATOM 3249 C CG2 . ILE A 1 424 ? 10.681 12.594 21.895 1.00 8.38 ? 424 ILE A CG2 1 ATOM 3250 C CD1 . ILE A 1 424 ? 9.314 10.494 20.033 1.00 9.64 ? 424 ILE A CD1 1 ATOM 3251 N N . ARG A 1 425 ? 9.410 14.559 24.213 1.00 7.65 ? 425 ARG A N 1 ATOM 3252 C CA . ARG A 1 425 ? 9.904 15.827 24.691 1.00 7.96 ? 425 ARG A CA 1 ATOM 3253 C C . ARG A 1 425 ? 11.269 15.616 25.360 1.00 7.55 ? 425 ARG A C 1 ATOM 3254 O O . ARG A 1 425 ? 11.508 14.640 26.056 1.00 7.33 ? 425 ARG A O 1 ATOM 3255 C CB . ARG A 1 425 ? 8.888 16.475 25.636 1.00 9.41 ? 425 ARG A CB 1 ATOM 3256 C CG . ARG A 1 425 ? 7.447 16.460 25.130 1.00 10.81 ? 425 ARG A CG 1 ATOM 3257 C CD . ARG A 1 425 ? 6.463 16.606 26.265 1.00 13.63 ? 425 ARG A CD 1 ATOM 3258 N NE . ARG A 1 425 ? 6.451 17.969 26.693 1.00 15.54 ? 425 ARG A NE 1 ATOM 3259 C CZ . ARG A 1 425 ? 5.819 18.964 26.049 1.00 19.37 ? 425 ARG A CZ 1 ATOM 3260 N NH1 . ARG A 1 425 ? 5.880 20.188 26.537 1.00 20.68 ? 425 ARG A NH1 1 ATOM 3261 N NH2 . ARG A 1 425 ? 5.096 18.762 24.967 1.00 19.70 ? 425 ARG A NH2 1 ATOM 3262 N N . VAL A 1 426 ? 12.187 16.533 25.134 1.00 7.60 ? 426 VAL A N 1 ATOM 3263 C CA . VAL A 1 426 ? 13.454 16.503 25.826 1.00 7.73 ? 426 VAL A CA 1 ATOM 3264 C C . VAL A 1 426 ? 13.890 17.921 26.237 1.00 7.74 ? 426 VAL A C 1 ATOM 3265 O O . VAL A 1 426 ? 13.578 18.930 25.562 1.00 7.66 ? 426 VAL A O 1 ATOM 3266 C CB . VAL A 1 426 ? 14.546 15.877 24.957 1.00 8.40 ? 426 VAL A CB 1 ATOM 3267 C CG1 . VAL A 1 426 ? 14.870 16.770 23.747 1.00 8.39 ? 426 VAL A CG1 1 ATOM 3268 C CG2 . VAL A 1 426 ? 15.796 15.555 25.757 1.00 8.84 ? 426 VAL A CG2 1 ATOM 3269 N N . GLY A 1 427 ? 14.587 17.989 27.374 1.00 7.50 ? 427 GLY A N 1 ATOM 3270 C CA . GLY A 1 427 ? 15.124 19.266 27.847 1.00 7.67 ? 427 GLY A CA 1 ATOM 3271 C C . GLY A 1 427 ? 15.812 19.113 29.163 1.00 7.97 ? 427 GLY A C 1 ATOM 3272 O O . GLY A 1 427 ? 15.956 17.982 29.692 1.00 7.35 ? 427 GLY A O 1 ATOM 3273 N N . PRO A 1 428 ? 16.047 20.252 29.827 1.00 8.35 ? 428 PRO A N 1 ATOM 3274 C CA . PRO A 1 428 ? 16.584 20.171 31.196 1.00 8.45 ? 428 PRO A CA 1 ATOM 3275 C C . PRO A 1 428 ? 15.605 19.609 32.154 1.00 8.34 ? 428 PRO A C 1 ATOM 3276 O O . PRO A 1 428 ? 14.362 19.565 31.903 1.00 8.56 ? 428 PRO A O 1 ATOM 3277 C CB . PRO A 1 428 ? 16.933 21.626 31.561 1.00 8.75 ? 428 PRO A CB 1 ATOM 3278 C CG . PRO A 1 428 ? 16.513 22.502 30.370 1.00 9.09 ? 428 PRO A CG 1 ATOM 3279 C CD . PRO A 1 428 ? 15.952 21.634 29.292 1.00 9.16 ? 428 PRO A CD 1 ATOM 3280 N N . PHE A 1 429 ? 16.097 19.156 33.283 1.00 8.91 ? 429 PHE A N 1 ATOM 3281 C CA . PHE A 1 429 ? 15.194 18.643 34.291 1.00 9.40 ? 429 PHE A CA 1 ATOM 3282 C C . PHE A 1 429 ? 14.114 19.629 34.608 1.00 9.91 ? 429 PHE A C 1 ATOM 3283 O O . PHE A 1 429 ? 14.412 20.854 34.744 1.00 10.02 ? 429 PHE A O 1 ATOM 3284 C CB . PHE A 1 429 ? 15.862 18.302 35.644 1.00 10.07 ? 429 PHE A CB 1 ATOM 3285 C CG . PHE A 1 429 ? 16.998 17.296 35.552 1.00 11.47 ? 429 PHE A CG 1 ATOM 3286 C CD1 . PHE A 1 429 ? 17.091 16.368 34.553 1.00 11.38 ? 429 PHE A CD1 1 ATOM 3287 C CD2 . PHE A 1 429 ? 18.007 17.356 36.473 1.00 15.03 ? 429 PHE A CD2 1 ATOM 3288 C CE1 . PHE A 1 429 ? 18.146 15.478 34.502 1.00 13.00 ? 429 PHE A CE1 1 ATOM 3289 C CE2 . PHE A 1 429 ? 19.088 16.483 36.414 1.00 16.12 ? 429 PHE A CE2 1 ATOM 3290 C CZ . PHE A 1 429 ? 19.148 15.516 35.431 1.00 14.39 ? 429 PHE A CZ 1 ATOM 3291 N N A ASN A 1 430 ? 12.907 19.090 34.786 0.47 9.68 ? 430 ASN A N 1 ATOM 3292 N N B ASN A 1 430 ? 12.904 19.106 34.818 0.53 9.57 ? 430 ASN A N 1 ATOM 3293 C CA A ASN A 1 430 ? 11.692 19.823 35.136 0.47 10.07 ? 430 ASN A CA 1 ATOM 3294 C CA B ASN A 1 430 ? 11.690 19.873 35.138 0.53 9.95 ? 430 ASN A CA 1 ATOM 3295 C C A ASN A 1 430 ? 11.096 20.634 33.992 0.47 9.92 ? 430 ASN A C 1 ATOM 3296 C C B ASN A 1 430 ? 11.170 20.734 33.996 0.53 9.75 ? 430 ASN A C 1 ATOM 3297 O O A ASN A 1 430 ? 10.084 21.300 34.198 0.47 9.73 ? 430 ASN A O 1 ATOM 3298 O O B ASN A 1 430 ? 10.317 21.591 34.209 0.53 9.54 ? 430 ASN A O 1 ATOM 3299 C CB A ASN A 1 430 ? 11.935 20.732 36.358 0.47 10.30 ? 430 ASN A CB 1 ATOM 3300 C CB B ASN A 1 430 ? 11.896 20.791 36.362 0.53 10.13 ? 430 ASN A CB 1 ATOM 3301 C CG A ASN A 1 430 ? 12.882 20.099 37.364 0.47 11.07 ? 430 ASN A CG 1 ATOM 3302 C CG B ASN A 1 430 ? 12.171 20.028 37.643 0.53 10.78 ? 430 ASN A CG 1 ATOM 3303 O OD1 A ASN A 1 430 ? 12.657 18.955 37.793 0.47 11.54 ? 430 ASN A OD1 1 ATOM 3304 O OD1 B ASN A 1 430 ? 13.267 20.119 38.205 0.53 11.74 ? 430 ASN A OD1 1 ATOM 3305 N ND2 A ASN A 1 430 ? 13.956 20.833 37.742 0.47 11.09 ? 430 ASN A ND2 1 ATOM 3306 N ND2 B ASN A 1 430 ? 11.210 19.250 38.087 0.53 10.88 ? 430 ASN A ND2 1 ATOM 3307 N N . SER A 1 431 ? 11.643 20.503 32.781 1.00 9.54 ? 431 SER A N 1 ATOM 3308 C CA . SER A 1 431 ? 11.209 21.367 31.675 1.00 10.43 ? 431 SER A CA 1 ATOM 3309 C C . SER A 1 431 ? 10.163 20.742 30.785 1.00 11.52 ? 431 SER A C 1 ATOM 3310 O O . SER A 1 431 ? 9.558 21.457 30.015 1.00 12.82 ? 431 SER A O 1 ATOM 3311 C CB . SER A 1 431 ? 12.391 21.756 30.816 1.00 10.15 ? 431 SER A CB 1 ATOM 3312 O OG . SER A 1 431 ? 12.860 20.623 30.063 1.00 10.41 ? 431 SER A OG 1 ATOM 3313 N N . THR A 1 432 ? 9.956 19.432 30.829 1.00 12.19 ? 432 THR A N 1 ATOM 3314 C CA . THR A 1 432 ? 9.119 18.748 29.834 1.00 14.24 ? 432 THR A CA 1 ATOM 3315 C C . THR A 1 432 ? 7.694 18.692 30.368 1.00 16.18 ? 432 THR A C 1 ATOM 3316 O O . THR A 1 432 ? 6.777 18.330 29.632 1.00 18.68 ? 432 THR A O 1 ATOM 3317 C CB . THR A 1 432 ? 9.565 17.290 29.469 1.00 12.92 ? 432 THR A CB 1 ATOM 3318 O OG1 . THR A 1 432 ? 9.438 16.426 30.627 1.00 12.24 ? 432 THR A OG1 1 ATOM 3319 C CG2 . THR A 1 432 ? 10.989 17.234 28.939 1.00 13.13 ? 432 THR A CG2 1 HETATM 3320 C C1 . NAG B 2 . ? 14.966 20.332 38.666 0.47 12.32 ? 501 NAG A C1 1 HETATM 3321 C C2 . NAG B 2 . ? 16.372 20.882 38.626 0.47 12.33 ? 501 NAG A C2 1 HETATM 3322 C C3 . NAG B 2 . ? 17.416 20.013 39.275 0.47 11.98 ? 501 NAG A C3 1 HETATM 3323 C C4 . NAG B 2 . ? 16.944 19.705 40.688 0.47 12.90 ? 501 NAG A C4 1 HETATM 3324 C C5 . NAG B 2 . ? 15.502 19.210 40.693 0.47 12.76 ? 501 NAG A C5 1 HETATM 3325 C C6 . NAG B 2 . ? 15.011 19.163 42.114 0.47 12.78 ? 501 NAG A C6 1 HETATM 3326 C C7 . NAG B 2 . ? 16.204 22.170 36.674 0.47 11.82 ? 501 NAG A C7 1 HETATM 3327 C C8 . NAG B 2 . ? 16.723 22.448 35.314 0.47 10.37 ? 501 NAG A C8 1 HETATM 3328 N N2 . NAG B 2 . ? 16.808 21.183 37.293 0.47 12.73 ? 501 NAG A N2 1 HETATM 3329 O O3 . NAG B 2 . ? 18.577 20.805 39.284 0.47 11.13 ? 501 NAG A O3 1 HETATM 3330 O O4 . NAG B 2 . ? 17.835 18.818 41.383 0.47 12.92 ? 501 NAG A O4 1 HETATM 3331 O O5 . NAG B 2 . ? 14.604 20.031 39.976 0.47 12.02 ? 501 NAG A O5 1 HETATM 3332 O O6 . NAG B 2 . ? 14.877 20.487 42.634 0.47 12.33 ? 501 NAG A O6 1 HETATM 3333 O O7 . NAG B 2 . ? 15.271 22.737 37.252 0.47 10.56 ? 501 NAG A O7 1 HETATM 3334 C C1 . NAG C 2 . ? 16.988 -24.662 34.465 0.54 28.68 ? 502 NAG A C1 1 HETATM 3335 C C2 . NAG C 2 . ? 17.858 -25.883 34.094 0.54 31.22 ? 502 NAG A C2 1 HETATM 3336 C C3 . NAG C 2 . ? 19.161 -25.358 33.509 0.54 33.49 ? 502 NAG A C3 1 HETATM 3337 C C4 . NAG C 2 . ? 18.795 -24.570 32.247 0.54 34.29 ? 502 NAG A C4 1 HETATM 3338 C C5 . NAG C 2 . ? 17.679 -23.555 32.486 0.54 34.50 ? 502 NAG A C5 1 HETATM 3339 C C6 . NAG C 2 . ? 17.128 -23.096 31.140 0.54 35.77 ? 502 NAG A C6 1 HETATM 3340 C C7 . NAG C 2 . ? 18.321 -26.387 36.391 0.54 31.68 ? 502 NAG A C7 1 HETATM 3341 C C8 . NAG C 2 . ? 18.363 -27.388 37.512 0.54 32.19 ? 502 NAG A C8 1 HETATM 3342 N N2 . NAG C 2 . ? 17.963 -26.816 35.207 0.54 32.15 ? 502 NAG A N2 1 HETATM 3343 O O3 . NAG C 2 . ? 20.009 -26.442 33.177 0.54 32.56 ? 502 NAG A O3 1 HETATM 3344 O O4 . NAG C 2 . ? 19.872 -23.794 31.802 0.54 36.12 ? 502 NAG A O4 1 HETATM 3345 O O5 . NAG C 2 . ? 16.614 -24.121 33.207 0.54 30.73 ? 502 NAG A O5 1 HETATM 3346 O O6 . NAG C 2 . ? 16.770 -24.245 30.383 0.54 36.31 ? 502 NAG A O6 1 HETATM 3347 O O7 . NAG C 2 . ? 18.625 -25.217 36.549 0.54 32.66 ? 502 NAG A O7 1 HETATM 3348 C C1 . NAG D 2 . ? 18.520 0.194 -15.621 0.67 42.75 ? 503 NAG A C1 1 HETATM 3349 C C2 . NAG D 2 . ? 19.356 -0.280 -16.852 0.67 44.58 ? 503 NAG A C2 1 HETATM 3350 C C3 . NAG D 2 . ? 18.467 -0.637 -18.038 0.67 45.72 ? 503 NAG A C3 1 HETATM 3351 C C4 . NAG D 2 . ? 17.524 -1.774 -17.617 0.67 47.12 ? 503 NAG A C4 1 HETATM 3352 C C5 . NAG D 2 . ? 16.842 -1.458 -16.277 0.67 44.73 ? 503 NAG A C5 1 HETATM 3353 C C6 . NAG D 2 . ? 16.297 -2.686 -15.568 0.67 41.45 ? 503 NAG A C6 1 HETATM 3354 C C7 . NAG D 2 . ? 21.706 0.325 -17.526 0.67 46.22 ? 503 NAG A C7 1 HETATM 3355 C C8 . NAG D 2 . ? 22.136 -1.058 -17.904 0.67 47.87 ? 503 NAG A C8 1 HETATM 3356 N N2 . NAG D 2 . ? 20.478 0.627 -17.100 0.67 46.83 ? 503 NAG A N2 1 HETATM 3357 O O3 . NAG D 2 . ? 19.279 -1.047 -19.115 0.67 43.64 ? 503 NAG A O3 1 HETATM 3358 O O4 . NAG D 2 . ? 16.505 -1.924 -18.571 0.67 47.59 ? 503 NAG A O4 1 HETATM 3359 O O5 . NAG D 2 . ? 17.762 -0.970 -15.359 0.67 41.28 ? 503 NAG A O5 1 HETATM 3360 O O6 . NAG D 2 . ? 17.376 -3.579 -15.447 0.67 37.79 ? 503 NAG A O6 1 HETATM 3361 O O7 . NAG D 2 . ? 22.532 1.214 -17.617 0.67 48.41 ? 503 NAG A O7 1 HETATM 3362 C C1 . CBI E 3 . ? 17.550 -9.797 29.606 1.00 11.49 ? 504 CBI A C1 1 HETATM 3363 C C2 . CBI E 3 . ? 18.037 -8.450 29.068 1.00 12.01 ? 504 CBI A C2 1 HETATM 3364 C C3 . CBI E 3 . ? 17.299 -8.142 27.762 1.00 12.78 ? 504 CBI A C3 1 HETATM 3365 C C4 . CBI E 3 . ? 17.353 -9.347 26.813 1.00 13.03 ? 504 CBI A C4 1 HETATM 3366 C C5 . CBI E 3 . ? 16.938 -10.660 27.504 1.00 13.47 ? 504 CBI A C5 1 HETATM 3367 C C6 . CBI E 3 . ? 17.047 -11.917 26.635 1.00 14.59 ? 504 CBI A C6 1 HETATM 3368 O O2 . CBI E 3 . ? 17.932 -7.394 29.999 1.00 10.07 ? 504 CBI A O2 1 HETATM 3369 O O3 . CBI E 3 . ? 17.805 -7.003 27.054 1.00 13.55 ? 504 CBI A O3 1 HETATM 3370 O O4 . CBI E 3 . ? 16.470 -9.104 25.711 1.00 13.34 ? 504 CBI A O4 1 HETATM 3371 O O5 . CBI E 3 . ? 17.744 -10.859 28.641 1.00 11.74 ? 504 CBI A O5 1 HETATM 3372 O O6 . CBI E 3 . ? 18.434 -12.042 26.197 1.00 14.83 ? 504 CBI A O6 1 HETATM 3373 C "C1'" . CBI E 3 . ? 18.452 -12.497 34.022 1.00 16.97 ? 504 CBI A "C1'" 1 HETATM 3374 C "C2'" . CBI E 3 . ? 18.329 -13.277 32.716 1.00 16.95 ? 504 CBI A "C2'" 1 HETATM 3375 C "C3'" . CBI E 3 . ? 18.755 -12.362 31.539 1.00 15.33 ? 504 CBI A "C3'" 1 HETATM 3376 C "C4'" . CBI E 3 . ? 17.914 -11.070 31.564 1.00 12.95 ? 504 CBI A "C4'" 1 HETATM 3377 C "C5'" . CBI E 3 . ? 18.009 -10.428 32.929 1.00 12.45 ? 504 CBI A "C5'" 1 HETATM 3378 C "C6'" . CBI E 3 . ? 17.187 -9.171 33.012 1.00 12.27 ? 504 CBI A "C6'" 1 HETATM 3379 O "O1'" . CBI E 3 . ? 17.952 -13.271 35.145 1.00 16.73 ? 504 CBI A "O1'" 1 HETATM 3380 O "O2'" . CBI E 3 . ? 19.118 -14.478 32.782 1.00 18.81 ? 504 CBI A "O2'" 1 HETATM 3381 O "O3'" . CBI E 3 . ? 18.514 -13.024 30.299 1.00 17.51 ? 504 CBI A "O3'" 1 HETATM 3382 O "O4'" . CBI E 3 . ? 18.375 -10.077 30.657 1.00 11.81 ? 504 CBI A "O4'" 1 HETATM 3383 O "O5'" . CBI E 3 . ? 17.580 -11.395 33.901 1.00 12.90 ? 504 CBI A "O5'" 1 HETATM 3384 O "O6'" . CBI E 3 . ? 15.800 -9.411 32.823 1.00 12.13 ? 504 CBI A "O6'" 1 HETATM 3385 C C1A . CE6 F 4 . ? 15.248 -5.255 19.966 1.00 8.24 ? 505 CE6 A C1A 1 HETATM 3386 C C2A . CE6 F 4 . ? 14.877 -4.454 18.710 1.00 8.01 ? 505 CE6 A C2A 1 HETATM 3387 C C3A . CE6 F 4 . ? 14.018 -5.332 17.797 1.00 7.93 ? 505 CE6 A C3A 1 HETATM 3388 C C4A . CE6 F 4 . ? 14.625 -6.747 17.637 1.00 7.90 ? 505 CE6 A C4A 1 HETATM 3389 C C5A A CE6 F 4 . ? 15.029 -7.372 18.975 0.46 8.16 ? 505 CE6 A C5A 1 HETATM 3390 C C5A B CE6 F 4 . ? 15.021 -7.370 18.965 0.54 8.23 ? 505 CE6 A C5A 1 HETATM 3391 C C6A A CE6 F 4 . ? 15.752 -8.706 18.885 0.46 8.39 ? 505 CE6 A C6A 1 HETATM 3392 C C6A B CE6 F 4 . ? 15.701 -8.706 18.767 0.54 8.58 ? 505 CE6 A C6A 1 HETATM 3393 O O2A . CE6 F 4 . ? 14.197 -3.201 19.041 1.00 8.93 ? 505 CE6 A O2A 1 HETATM 3394 O O3A . CE6 F 4 . ? 13.823 -4.720 16.521 1.00 7.51 ? 505 CE6 A O3A 1 HETATM 3395 O O4A . CE6 F 4 . ? 13.604 -7.592 17.062 1.00 7.85 ? 505 CE6 A O4A 1 HETATM 3396 O O5A . CE6 F 4 . ? 15.886 -6.489 19.712 1.00 7.97 ? 505 CE6 A O5A 1 HETATM 3397 O O6A A CE6 F 4 . ? 16.906 -8.603 18.040 0.46 8.89 ? 505 CE6 A O6A 1 HETATM 3398 O O6A B CE6 F 4 . ? 16.101 -9.228 20.019 0.54 9.15 ? 505 CE6 A O6A 1 HETATM 3399 C C1B . CE6 F 4 . ? 14.005 -8.351 15.942 1.00 7.34 ? 505 CE6 A C1B 1 HETATM 3400 C C2B . CE6 F 4 . ? 12.766 -9.099 15.488 1.00 7.75 ? 505 CE6 A C2B 1 HETATM 3401 C C3B . CE6 F 4 . ? 12.932 -9.826 14.171 1.00 7.79 ? 505 CE6 A C3B 1 HETATM 3402 C C4B . CE6 F 4 . ? 13.466 -8.866 13.150 1.00 7.31 ? 505 CE6 A C4B 1 HETATM 3403 C C5B . CE6 F 4 . ? 14.745 -8.289 13.743 1.00 6.92 ? 505 CE6 A C5B 1 HETATM 3404 C C6B . CE6 F 4 . ? 15.544 -7.491 12.768 1.00 6.78 ? 505 CE6 A C6B 1 HETATM 3405 O O2B . CE6 F 4 . ? 12.438 -10.004 16.541 1.00 8.64 ? 505 CE6 A O2B 1 HETATM 3406 O O3B . CE6 F 4 . ? 11.686 -10.368 13.777 1.00 8.18 ? 505 CE6 A O3B 1 HETATM 3407 O O4B . CE6 F 4 . ? 13.718 -9.498 11.885 1.00 7.28 ? 505 CE6 A O4B 1 HETATM 3408 O O5B . CE6 F 4 . ? 14.436 -7.489 14.921 1.00 6.91 ? 505 CE6 A O5B 1 HETATM 3409 O O6B . CE6 F 4 . ? 16.783 -6.997 13.318 1.00 6.47 ? 505 CE6 A O6B 1 HETATM 3410 C C1C . CE6 F 4 . ? 13.141 -8.878 10.721 1.00 7.26 ? 505 CE6 A C1C 1 HETATM 3411 C C2C . CE6 F 4 . ? 13.679 -9.557 9.489 1.00 6.80 ? 505 CE6 A C2C 1 HETATM 3412 C C3C . CE6 F 4 . ? 13.012 -8.961 8.282 1.00 6.69 ? 505 CE6 A C3C 1 HETATM 3413 C C4C . CE6 F 4 . ? 11.482 -8.897 8.412 1.00 6.74 ? 505 CE6 A C4C 1 HETATM 3414 C C5C . CE6 F 4 . ? 11.096 -8.326 9.771 1.00 7.48 ? 505 CE6 A C5C 1 HETATM 3415 C C6C . CE6 F 4 . ? 9.603 -8.337 10.062 1.00 7.24 ? 505 CE6 A C6C 1 HETATM 3416 O O2C . CE6 F 4 . ? 15.096 -9.377 9.424 1.00 6.86 ? 505 CE6 A O2C 1 HETATM 3417 O O3C . CE6 F 4 . ? 13.466 -9.727 7.122 1.00 6.81 ? 505 CE6 A O3C 1 HETATM 3418 O O4C . CE6 F 4 . ? 10.962 -8.007 7.413 1.00 7.10 ? 505 CE6 A O4C 1 HETATM 3419 O O5C . CE6 F 4 . ? 11.763 -9.073 10.775 1.00 7.46 ? 505 CE6 A O5C 1 HETATM 3420 O O6C . CE6 F 4 . ? 8.940 -9.596 9.950 1.00 8.09 ? 505 CE6 A O6C 1 HETATM 3421 C C1D . CE6 F 4 . ? 10.685 -8.612 6.160 1.00 7.29 ? 505 CE6 A C1D 1 HETATM 3422 C C2D . CE6 F 4 . ? 9.603 -7.811 5.511 1.00 7.58 ? 505 CE6 A C2D 1 HETATM 3423 C C3D . CE6 F 4 . ? 9.507 -8.217 4.068 1.00 8.02 ? 505 CE6 A C3D 1 HETATM 3424 C C4D . CE6 F 4 . ? 10.854 -8.227 3.357 1.00 8.10 ? 505 CE6 A C4D 1 HETATM 3425 C C5D . CE6 F 4 . ? 11.863 -8.998 4.165 1.00 8.02 ? 505 CE6 A C5D 1 HETATM 3426 C C6D . CE6 F 4 . ? 13.264 -8.941 3.532 1.00 8.03 ? 505 CE6 A C6D 1 HETATM 3427 O O2D . CE6 F 4 . ? 8.401 -8.035 6.206 1.00 7.75 ? 505 CE6 A O2D 1 HETATM 3428 O O3D . CE6 F 4 . ? 8.568 -7.293 3.409 1.00 9.37 ? 505 CE6 A O3D 1 HETATM 3429 O O4D . CE6 F 4 . ? 10.670 -8.869 2.072 1.00 9.01 ? 505 CE6 A O4D 1 HETATM 3430 O O5D . CE6 F 4 . ? 11.896 -8.465 5.468 1.00 7.11 ? 505 CE6 A O5D 1 HETATM 3431 O O6D . CE6 F 4 . ? 14.150 -9.840 4.236 1.00 7.73 ? 505 CE6 A O6D 1 HETATM 3432 O O2F . CE6 F 4 . ? 7.855 -4.501 -3.829 1.00 18.49 ? 505 CE6 A O2F 1 HETATM 3433 C C2F . CE6 F 4 . ? 8.816 -5.221 -4.564 1.00 18.76 ? 505 CE6 A C2F 1 HETATM 3434 C C3F . CE6 F 4 . ? 8.271 -5.544 -5.944 1.00 21.35 ? 505 CE6 A C3F 1 HETATM 3435 O O3F . CE6 F 4 . ? 8.035 -4.326 -6.636 1.00 24.37 ? 505 CE6 A O3F 1 HETATM 3436 C C4F . CE6 F 4 . ? 9.245 -6.426 -6.653 1.00 22.10 ? 505 CE6 A C4F 1 HETATM 3437 O O4F . CE6 F 4 . ? 8.656 -6.787 -7.915 1.00 27.58 ? 505 CE6 A O4F 1 HETATM 3438 C C5F . CE6 F 4 . ? 9.563 -7.675 -5.809 1.00 20.04 ? 505 CE6 A C5F 1 HETATM 3439 C C6F . CE6 F 4 . ? 10.618 -8.567 -6.478 1.00 20.14 ? 505 CE6 A C6F 1 HETATM 3440 O O6F . CE6 F 4 . ? 11.102 -9.708 -5.692 1.00 20.30 ? 505 CE6 A O6F 1 HETATM 3441 O O5F . CE6 F 4 . ? 10.005 -7.263 -4.502 1.00 16.60 ? 505 CE6 A O5F 1 HETATM 3442 C C1F . CE6 F 4 . ? 9.108 -6.476 -3.789 1.00 15.69 ? 505 CE6 A C1F 1 HETATM 3443 O O4E . CE6 F 4 . ? 9.677 -6.071 -2.572 1.00 14.16 ? 505 CE6 A O4E 1 HETATM 3444 C C4E . CE6 F 4 . ? 9.679 -7.119 -1.527 1.00 13.06 ? 505 CE6 A C4E 1 HETATM 3445 C C5E . CE6 F 4 . ? 9.440 -6.408 -0.185 1.00 12.65 ? 505 CE6 A C5E 1 HETATM 3446 O O5E . CE6 F 4 . ? 9.484 -7.382 0.891 1.00 11.98 ? 505 CE6 A O5E 1 HETATM 3447 C C6E . CE6 F 4 . ? 8.110 -5.630 -0.124 1.00 13.26 ? 505 CE6 A C6E 1 HETATM 3448 O O6E . CE6 F 4 . ? 7.161 -6.659 -0.427 1.00 13.44 ? 505 CE6 A O6E 1 HETATM 3449 C C3E . CE6 F 4 . ? 10.975 -7.953 -1.515 1.00 11.54 ? 505 CE6 A C3E 1 HETATM 3450 O O3E . CE6 F 4 . ? 11.132 -8.790 -2.690 1.00 11.73 ? 505 CE6 A O3E 1 HETATM 3451 C C2E . CE6 F 4 . ? 11.054 -8.850 -0.283 1.00 11.10 ? 505 CE6 A C2E 1 HETATM 3452 O O2E . CE6 F 4 . ? 12.333 -9.450 -0.218 1.00 9.73 ? 505 CE6 A O2E 1 HETATM 3453 C C1E . CE6 F 4 . ? 10.744 -8.033 0.971 1.00 9.91 ? 505 CE6 A C1E 1 HETATM 3454 O O1A . CE6 F 4 . ? 16.143 -4.446 20.728 1.00 7.92 ? 505 CE6 A O1A 1 HETATM 3455 K K . K G 5 . ? 18.470 -4.742 22.136 1.00 14.97 ? 506 K A K 1 HETATM 3456 K K . K H 5 . ? 1.469 10.895 8.639 1.00 19.20 ? 507 K A K 1 HETATM 3457 K K . K I 5 . ? -1.643 -14.739 32.965 1.00 32.13 ? 508 K A K 1 HETATM 3458 NA NA . NA J 6 . ? 26.314 -16.554 34.601 1.00 50.67 ? 509 NA A NA 1 HETATM 3459 CL CL . CL K 7 . ? 14.322 -5.408 37.964 1.00 25.10 ? 510 CL A CL 1 HETATM 3460 O O . HOH L 8 . ? 9.716 18.775 37.989 0.32 13.02 ? 601 HOH A O 1 HETATM 3461 O O . HOH L 8 . ? -5.607 2.183 21.702 0.59 26.39 ? 602 HOH A O 1 HETATM 3462 O O . HOH L 8 . ? 33.810 -11.864 5.005 0.66 30.17 ? 603 HOH A O 1 HETATM 3463 O O . HOH L 8 . ? -6.272 6.490 34.700 0.43 19.19 ? 604 HOH A O 1 HETATM 3464 O O . HOH L 8 . ? 16.368 -11.477 16.155 0.41 7.32 ? 605 HOH A O 1 HETATM 3465 O O . HOH L 8 . ? 32.367 1.446 -2.658 0.56 19.76 ? 606 HOH A O 1 HETATM 3466 O O . HOH L 8 . ? 2.539 -5.998 49.033 0.46 18.33 ? 607 HOH A O 1 HETATM 3467 O O . HOH L 8 . ? 18.079 18.312 43.405 0.42 18.90 ? 608 HOH A O 1 HETATM 3468 O O . HOH L 8 . ? 21.151 -25.950 34.944 0.37 11.04 ? 609 HOH A O 1 HETATM 3469 O O . HOH L 8 . ? 28.484 -17.355 11.523 0.66 14.28 ? 610 HOH A O 1 HETATM 3470 O O . HOH L 8 . ? 2.365 -2.781 49.549 0.75 30.26 ? 611 HOH A O 1 HETATM 3471 O O . HOH L 8 . ? 26.357 -21.590 10.857 1.00 41.24 ? 612 HOH A O 1 HETATM 3472 O O . HOH L 8 . ? 34.872 -3.052 1.887 0.33 6.20 ? 613 HOH A O 1 HETATM 3473 O O . HOH L 8 . ? -0.000 1.488 0.000 0.40 34.40 ? 614 HOH A O 1 HETATM 3474 O O . HOH L 8 . ? 32.012 -16.476 28.516 1.00 31.29 ? 615 HOH A O 1 HETATM 3475 O O . HOH L 8 . ? 30.485 3.522 12.779 1.00 25.80 ? 616 HOH A O 1 HETATM 3476 O O . HOH L 8 . ? 26.152 13.630 23.905 1.00 44.85 ? 617 HOH A O 1 HETATM 3477 O O . HOH L 8 . ? 17.949 -13.226 45.227 1.00 37.45 ? 618 HOH A O 1 HETATM 3478 O O . HOH L 8 . ? 29.669 1.749 40.165 1.00 36.11 ? 619 HOH A O 1 HETATM 3479 O O . HOH L 8 . ? 23.950 11.600 41.959 1.00 34.00 ? 620 HOH A O 1 HETATM 3480 O O . HOH L 8 . ? -7.574 -5.526 31.088 1.00 32.30 ? 621 HOH A O 1 HETATM 3481 O O . HOH L 8 . ? 33.441 -13.695 7.740 0.82 24.44 ? 622 HOH A O 1 HETATM 3482 O O . HOH L 8 . ? -2.849 3.838 6.607 1.00 29.88 ? 623 HOH A O 1 HETATM 3483 O O A HOH L 8 . ? 12.672 5.090 47.614 0.50 18.63 ? 624 HOH A O 1 HETATM 3484 O O B HOH L 8 . ? 11.669 4.892 49.221 0.50 20.62 ? 624 HOH A O 1 HETATM 3485 O O . HOH L 8 . ? 9.787 -22.915 38.018 1.00 31.58 ? 625 HOH A O 1 HETATM 3486 O O . HOH L 8 . ? 14.200 2.115 -11.182 1.00 33.72 ? 626 HOH A O 1 HETATM 3487 O O . HOH L 8 . ? 4.089 15.456 11.861 1.00 18.18 ? 627 HOH A O 1 HETATM 3488 O O . HOH L 8 . ? 15.206 -12.113 20.646 0.71 22.05 ? 628 HOH A O 1 HETATM 3489 O O A HOH L 8 . ? 33.470 -0.291 12.048 0.46 12.37 ? 629 HOH A O 1 HETATM 3490 O O B HOH L 8 . ? 35.013 -0.918 10.821 0.54 20.79 ? 629 HOH A O 1 HETATM 3491 O O . HOH L 8 . ? 0.332 -4.992 2.264 0.73 23.00 ? 630 HOH A O 1 HETATM 3492 O O . HOH L 8 . ? 31.681 -3.653 -7.023 0.63 23.85 ? 631 HOH A O 1 HETATM 3493 O O A HOH L 8 . ? 17.212 18.276 14.729 0.60 21.13 ? 632 HOH A O 1 HETATM 3494 O O B HOH L 8 . ? 18.749 18.094 14.578 0.40 5.53 ? 632 HOH A O 1 HETATM 3495 O O . HOH L 8 . ? 20.882 18.946 7.803 1.00 17.17 ? 633 HOH A O 1 HETATM 3496 O O . HOH L 8 . ? 14.186 17.836 9.977 1.00 18.69 ? 634 HOH A O 1 HETATM 3497 O O . HOH L 8 . ? 6.724 -19.588 25.980 1.00 21.18 ? 635 HOH A O 1 HETATM 3498 O O . HOH L 8 . ? 18.671 -9.177 52.826 0.52 20.52 ? 636 HOH A O 1 HETATM 3499 O O . HOH L 8 . ? 15.901 -7.896 2.410 1.00 26.52 ? 637 HOH A O 1 HETATM 3500 O O . HOH L 8 . ? 27.070 20.042 26.750 0.77 26.04 ? 638 HOH A O 1 HETATM 3501 O O . HOH L 8 . ? 28.163 -8.521 -7.516 1.00 20.70 ? 639 HOH A O 1 HETATM 3502 O O . HOH L 8 . ? 27.759 2.159 48.168 1.00 28.20 ? 640 HOH A O 1 HETATM 3503 O O . HOH L 8 . ? 33.655 -9.779 20.602 1.00 19.87 ? 641 HOH A O 1 HETATM 3504 O O . HOH L 8 . ? 29.729 5.983 16.139 1.00 26.07 ? 642 HOH A O 1 HETATM 3505 O O . HOH L 8 . ? 0.890 -6.177 37.662 1.00 29.38 ? 643 HOH A O 1 HETATM 3506 O O . HOH L 8 . ? 2.095 17.889 25.205 1.00 31.56 ? 644 HOH A O 1 HETATM 3507 O O . HOH L 8 . ? 21.847 -11.249 19.791 0.69 16.50 ? 645 HOH A O 1 HETATM 3508 O O . HOH L 8 . ? 6.250 16.507 34.430 1.00 27.27 ? 646 HOH A O 1 HETATM 3509 O O . HOH L 8 . ? 22.337 -5.801 48.998 1.00 24.32 ? 647 HOH A O 1 HETATM 3510 O O . HOH L 8 . ? -4.633 8.192 29.920 1.00 19.68 ? 648 HOH A O 1 HETATM 3511 O O . HOH L 8 . ? 19.324 -12.422 37.069 1.00 26.54 ? 649 HOH A O 1 HETATM 3512 O O . HOH L 8 . ? -0.179 -15.395 36.317 1.00 38.02 ? 650 HOH A O 1 HETATM 3513 O O . HOH L 8 . ? 21.194 11.074 43.013 1.00 45.66 ? 651 HOH A O 1 HETATM 3514 O O . HOH L 8 . ? 19.107 -16.172 34.661 1.00 24.00 ? 652 HOH A O 1 HETATM 3515 O O . HOH L 8 . ? 16.915 -4.718 28.202 1.00 11.70 ? 653 HOH A O 1 HETATM 3516 O O . HOH L 8 . ? 7.484 -14.804 12.831 1.00 22.14 ? 654 HOH A O 1 HETATM 3517 O O . HOH L 8 . ? -7.852 0.378 18.096 1.00 31.49 ? 655 HOH A O 1 HETATM 3518 O O . HOH L 8 . ? 14.302 4.484 -3.141 1.00 11.38 ? 656 HOH A O 1 HETATM 3519 O O . HOH L 8 . ? 9.465 -7.136 14.624 1.00 11.72 ? 657 HOH A O 1 HETATM 3520 O O . HOH L 8 . ? -1.614 -13.892 21.617 1.00 18.46 ? 658 HOH A O 1 HETATM 3521 O O . HOH L 8 . ? 8.546 -21.680 28.444 1.00 32.36 ? 659 HOH A O 1 HETATM 3522 O O . HOH L 8 . ? 5.760 7.830 3.582 1.00 19.72 ? 660 HOH A O 1 HETATM 3523 O O . HOH L 8 . ? 34.106 -5.796 -4.271 1.00 28.84 ? 661 HOH A O 1 HETATM 3524 O O . HOH L 8 . ? -2.349 2.483 43.370 1.00 33.10 ? 662 HOH A O 1 HETATM 3525 O O . HOH L 8 . ? 32.933 -11.310 27.820 1.00 23.62 ? 663 HOH A O 1 HETATM 3526 O O . HOH L 8 . ? 7.261 5.849 -2.344 1.00 19.23 ? 664 HOH A O 1 HETATM 3527 O O . HOH L 8 . ? 6.049 21.477 21.707 1.00 24.07 ? 665 HOH A O 1 HETATM 3528 O O . HOH L 8 . ? 10.072 -11.232 11.990 1.00 11.81 ? 666 HOH A O 1 HETATM 3529 O O . HOH L 8 . ? 29.646 7.039 36.424 1.00 35.52 ? 667 HOH A O 1 HETATM 3530 O O . HOH L 8 . ? 9.787 -12.941 9.841 1.00 21.01 ? 668 HOH A O 1 HETATM 3531 O O . HOH L 8 . ? 3.249 21.399 19.174 1.00 36.87 ? 669 HOH A O 1 HETATM 3532 O O . HOH L 8 . ? 3.590 -13.787 38.782 0.61 21.82 ? 670 HOH A O 1 HETATM 3533 O O . HOH L 8 . ? -2.667 -17.218 24.317 0.42 19.18 ? 671 HOH A O 1 HETATM 3534 O O . HOH L 8 . ? 8.444 5.622 0.988 1.00 14.28 ? 672 HOH A O 1 HETATM 3535 O O . HOH L 8 . ? 23.902 -10.179 35.024 1.00 16.63 ? 673 HOH A O 1 HETATM 3536 O O . HOH L 8 . ? 27.946 13.481 19.771 1.00 40.11 ? 674 HOH A O 1 HETATM 3537 O O A HOH L 8 . ? 25.581 -12.657 42.890 0.58 10.80 ? 675 HOH A O 1 HETATM 3538 O O B HOH L 8 . ? 27.004 -11.861 43.111 0.42 9.24 ? 675 HOH A O 1 HETATM 3539 O O . HOH L 8 . ? 2.556 17.726 15.421 1.00 19.83 ? 676 HOH A O 1 HETATM 3540 O O . HOH L 8 . ? 16.952 -17.662 40.583 1.00 27.68 ? 677 HOH A O 1 HETATM 3541 O O . HOH L 8 . ? 28.021 3.725 -5.157 1.00 28.48 ? 678 HOH A O 1 HETATM 3542 O O . HOH L 8 . ? 26.584 -18.666 28.827 0.69 29.69 ? 679 HOH A O 1 HETATM 3543 O O . HOH L 8 . ? -5.333 -20.026 18.930 1.00 33.72 ? 680 HOH A O 1 HETATM 3544 O O . HOH L 8 . ? 22.036 18.432 21.713 0.78 32.39 ? 681 HOH A O 1 HETATM 3545 O O . HOH L 8 . ? -1.361 -3.511 9.627 1.00 13.47 ? 682 HOH A O 1 HETATM 3546 O O . HOH L 8 . ? 33.694 -11.657 1.849 1.00 16.70 ? 683 HOH A O 1 HETATM 3547 O O . HOH L 8 . ? 6.483 12.983 19.384 1.00 5.89 ? 684 HOH A O 1 HETATM 3548 O O . HOH L 8 . ? -9.140 0.252 34.127 1.00 29.10 ? 685 HOH A O 1 HETATM 3549 O O . HOH L 8 . ? -2.285 -12.950 12.194 1.00 25.64 ? 686 HOH A O 1 HETATM 3550 O O . HOH L 8 . ? 10.723 4.833 -8.543 0.54 31.28 ? 687 HOH A O 1 HETATM 3551 O O . HOH L 8 . ? 35.315 -8.792 14.451 1.00 22.17 ? 688 HOH A O 1 HETATM 3552 O O . HOH L 8 . ? 28.092 -20.192 9.390 1.00 24.80 ? 689 HOH A O 1 HETATM 3553 O O . HOH L 8 . ? 16.407 22.872 25.671 1.00 24.78 ? 690 HOH A O 1 HETATM 3554 O O . HOH L 8 . ? 13.015 -9.854 -7.824 1.00 16.36 ? 691 HOH A O 1 HETATM 3555 O O . HOH L 8 . ? 6.421 -8.099 -7.996 0.82 43.48 ? 692 HOH A O 1 HETATM 3556 O O . HOH L 8 . ? 28.217 3.793 16.334 1.00 14.49 ? 693 HOH A O 1 HETATM 3557 O O . HOH L 8 . ? 14.243 -23.092 32.964 1.00 26.45 ? 694 HOH A O 1 HETATM 3558 O O . HOH L 8 . ? 15.903 -6.436 24.832 1.00 12.59 ? 695 HOH A O 1 HETATM 3559 O O . HOH L 8 . ? 10.148 -1.272 49.959 1.00 23.82 ? 696 HOH A O 1 HETATM 3560 O O . HOH L 8 . ? 19.191 -23.292 9.370 1.00 25.52 ? 697 HOH A O 1 HETATM 3561 O O . HOH L 8 . ? 14.749 14.464 40.200 1.00 18.63 ? 698 HOH A O 1 HETATM 3562 O O . HOH L 8 . ? 27.970 -12.797 40.648 1.00 21.43 ? 699 HOH A O 1 HETATM 3563 O O . HOH L 8 . ? -3.867 5.883 36.774 1.00 21.45 ? 700 HOH A O 1 HETATM 3564 O O . HOH L 8 . ? 10.897 8.818 29.441 1.00 4.49 ? 701 HOH A O 1 HETATM 3565 O O . HOH L 8 . ? 2.713 -4.469 45.205 1.00 31.44 ? 702 HOH A O 1 HETATM 3566 O O . HOH L 8 . ? 25.979 15.241 20.185 1.00 30.95 ? 703 HOH A O 1 HETATM 3567 O O A HOH L 8 . ? 27.728 -6.386 43.811 0.65 14.81 ? 704 HOH A O 1 HETATM 3568 O O B HOH L 8 . ? 29.096 -5.220 43.161 0.35 5.34 ? 704 HOH A O 1 HETATM 3569 O O . HOH L 8 . ? 34.255 -0.162 14.807 0.60 23.61 ? 705 HOH A O 1 HETATM 3570 O O . HOH L 8 . ? 4.863 16.568 29.833 1.00 24.80 ? 706 HOH A O 1 HETATM 3571 O O . HOH L 8 . ? 22.466 15.902 36.685 1.00 13.33 ? 707 HOH A O 1 HETATM 3572 O O . HOH L 8 . ? 4.695 4.439 43.189 1.00 26.03 ? 708 HOH A O 1 HETATM 3573 O O . HOH L 8 . ? 6.204 -8.358 1.316 1.00 40.71 ? 709 HOH A O 1 HETATM 3574 O O . HOH L 8 . ? 29.455 -9.979 28.871 1.00 18.70 ? 710 HOH A O 1 HETATM 3575 O O . HOH L 8 . ? 28.733 -10.704 25.996 1.00 12.69 ? 711 HOH A O 1 HETATM 3576 O O . HOH L 8 . ? 6.839 8.739 -1.545 1.00 24.26 ? 712 HOH A O 1 HETATM 3577 O O . HOH L 8 . ? 3.096 -22.031 23.998 1.00 30.92 ? 713 HOH A O 1 HETATM 3578 O O . HOH L 8 . ? 13.277 23.292 33.941 1.00 12.67 ? 714 HOH A O 1 HETATM 3579 O O A HOH L 8 . ? 25.063 -4.856 38.451 0.54 16.98 ? 715 HOH A O 1 HETATM 3580 O O B HOH L 8 . ? 23.486 -4.567 38.007 0.46 13.77 ? 715 HOH A O 1 HETATM 3581 O O . HOH L 8 . ? 1.887 -22.038 21.548 1.00 37.26 ? 716 HOH A O 1 HETATM 3582 O O . HOH L 8 . ? 5.510 -0.442 24.970 1.00 6.96 ? 717 HOH A O 1 HETATM 3583 O O . HOH L 8 . ? 10.465 -11.045 41.463 1.00 19.67 ? 718 HOH A O 1 HETATM 3584 O O . HOH L 8 . ? -0.065 -19.545 27.269 1.00 27.88 ? 719 HOH A O 1 HETATM 3585 O O . HOH L 8 . ? 28.840 0.494 -5.800 1.00 24.56 ? 720 HOH A O 1 HETATM 3586 O O . HOH L 8 . ? 17.055 9.606 16.621 1.00 6.05 ? 721 HOH A O 1 HETATM 3587 O O . HOH L 8 . ? 36.087 2.501 25.921 1.00 19.38 ? 722 HOH A O 1 HETATM 3588 O O . HOH L 8 . ? 7.271 15.683 31.919 1.00 33.60 ? 723 HOH A O 1 HETATM 3589 O O . HOH L 8 . ? 36.976 -5.445 24.737 1.00 25.23 ? 724 HOH A O 1 HETATM 3590 O O . HOH L 8 . ? 13.035 -12.257 3.487 1.00 13.62 ? 725 HOH A O 1 HETATM 3591 O O . HOH L 8 . ? 25.876 -8.681 24.732 1.00 12.91 ? 726 HOH A O 1 HETATM 3592 O O . HOH L 8 . ? 5.782 -13.831 27.268 1.00 10.15 ? 727 HOH A O 1 HETATM 3593 O O . HOH L 8 . ? 3.640 -4.135 38.846 1.00 10.48 ? 728 HOH A O 1 HETATM 3594 O O . HOH L 8 . ? 25.877 6.064 41.031 1.00 13.72 ? 729 HOH A O 1 HETATM 3595 O O . HOH L 8 . ? 17.241 2.427 43.980 1.00 11.05 ? 730 HOH A O 1 HETATM 3596 O O A HOH L 8 . ? 18.755 -28.670 32.505 0.54 18.10 ? 731 HOH A O 1 HETATM 3597 O O B HOH L 8 . ? 20.377 -28.082 33.205 0.46 20.50 ? 731 HOH A O 1 HETATM 3598 O O . HOH L 8 . ? 14.594 -3.485 50.196 1.00 18.02 ? 732 HOH A O 1 HETATM 3599 O O . HOH L 8 . ? 16.638 -4.702 51.873 1.00 23.12 ? 733 HOH A O 1 HETATM 3600 O O . HOH L 8 . ? 14.502 -7.076 33.176 1.00 10.43 ? 734 HOH A O 1 HETATM 3601 O O . HOH L 8 . ? 13.302 -25.925 39.342 1.00 15.62 ? 735 HOH A O 1 HETATM 3602 O O . HOH L 8 . ? 14.695 22.587 19.021 0.78 29.26 ? 736 HOH A O 1 HETATM 3603 O O . HOH L 8 . ? 18.577 -15.374 29.084 1.00 29.23 ? 737 HOH A O 1 HETATM 3604 O O . HOH L 8 . ? 33.325 -10.420 -6.552 0.91 42.57 ? 738 HOH A O 1 HETATM 3605 O O . HOH L 8 . ? 22.026 14.379 13.249 1.00 14.70 ? 739 HOH A O 1 HETATM 3606 O O . HOH L 8 . ? 18.115 -12.261 -12.269 1.00 28.47 ? 740 HOH A O 1 HETATM 3607 O O . HOH L 8 . ? -7.516 3.327 26.333 0.61 26.65 ? 741 HOH A O 1 HETATM 3608 O O . HOH L 8 . ? 30.824 -13.652 1.657 1.00 42.82 ? 742 HOH A O 1 HETATM 3609 O O . HOH L 8 . ? -3.903 -7.349 20.707 1.00 14.00 ? 743 HOH A O 1 HETATM 3610 O O . HOH L 8 . ? 30.064 6.023 1.740 1.00 2.49 ? 744 HOH A O 1 HETATM 3611 O O . HOH L 8 . ? -6.254 3.153 24.066 0.77 32.34 ? 745 HOH A O 1 HETATM 3612 O O . HOH L 8 . ? 32.121 -19.169 4.832 1.00 41.36 ? 746 HOH A O 1 HETATM 3613 O O . HOH L 8 . ? 31.902 8.965 24.585 1.00 18.18 ? 747 HOH A O 1 HETATM 3614 O O . HOH L 8 . ? 31.090 -21.226 20.568 0.62 28.05 ? 748 HOH A O 1 HETATM 3615 O O . HOH L 8 . ? -2.717 5.219 17.792 1.00 29.18 ? 749 HOH A O 1 HETATM 3616 O O . HOH L 8 . ? 16.530 -10.684 11.542 1.00 7.71 ? 750 HOH A O 1 HETATM 3617 O O . HOH L 8 . ? 27.723 11.458 5.723 1.00 13.36 ? 751 HOH A O 1 HETATM 3618 O O . HOH L 8 . ? -7.296 -13.813 16.714 1.00 29.92 ? 752 HOH A O 1 HETATM 3619 O O . HOH L 8 . ? 6.891 -19.452 16.994 1.00 24.40 ? 753 HOH A O 1 HETATM 3620 O O . HOH L 8 . ? 35.022 -7.784 27.288 1.00 20.89 ? 754 HOH A O 1 HETATM 3621 O O . HOH L 8 . ? 26.129 -17.874 11.104 0.93 27.94 ? 755 HOH A O 1 HETATM 3622 O O . HOH L 8 . ? 34.891 1.835 32.613 1.00 22.83 ? 756 HOH A O 1 HETATM 3623 O O . HOH L 8 . ? 25.756 -19.283 3.832 1.00 14.90 ? 757 HOH A O 1 HETATM 3624 O O . HOH L 8 . ? 3.204 -6.824 4.586 1.00 17.26 ? 758 HOH A O 1 HETATM 3625 O O . HOH L 8 . ? 11.979 -18.586 3.926 1.00 21.37 ? 759 HOH A O 1 HETATM 3626 O O . HOH L 8 . ? 29.059 -17.020 22.236 1.00 31.45 ? 760 HOH A O 1 HETATM 3627 O O . HOH L 8 . ? 2.830 -2.024 46.397 1.00 39.72 ? 761 HOH A O 1 HETATM 3628 O O . HOH L 8 . ? 22.355 -8.756 48.655 1.00 33.81 ? 762 HOH A O 1 HETATM 3629 O O . HOH L 8 . ? -3.253 -3.324 14.372 1.00 24.58 ? 763 HOH A O 1 HETATM 3630 O O . HOH L 8 . ? -6.309 15.103 36.909 1.00 30.29 ? 764 HOH A O 1 HETATM 3631 O O . HOH L 8 . ? 11.353 -5.105 15.589 1.00 8.12 ? 765 HOH A O 1 HETATM 3632 O O . HOH L 8 . ? 3.224 -4.856 10.679 1.00 9.80 ? 766 HOH A O 1 HETATM 3633 O O . HOH L 8 . ? 12.465 -19.916 22.935 1.00 46.56 ? 767 HOH A O 1 HETATM 3634 O O . HOH L 8 . ? 4.944 -1.809 12.479 1.00 8.63 ? 768 HOH A O 1 HETATM 3635 O O . HOH L 8 . ? 19.374 17.723 25.049 1.00 25.80 ? 769 HOH A O 1 HETATM 3636 O O . HOH L 8 . ? 6.451 13.145 5.635 1.00 19.07 ? 770 HOH A O 1 HETATM 3637 O O . HOH L 8 . ? 33.722 -2.739 7.429 1.00 21.61 ? 771 HOH A O 1 HETATM 3638 O O . HOH L 8 . ? -1.216 13.055 19.533 0.88 28.45 ? 772 HOH A O 1 HETATM 3639 O O . HOH L 8 . ? 4.475 -22.488 17.411 0.52 22.42 ? 773 HOH A O 1 HETATM 3640 O O . HOH L 8 . ? 22.478 -19.263 22.957 0.93 41.57 ? 774 HOH A O 1 HETATM 3641 O O . HOH L 8 . ? -2.947 -1.195 42.175 1.00 19.83 ? 775 HOH A O 1 HETATM 3642 O O . HOH L 8 . ? 16.484 -10.504 7.423 1.00 7.01 ? 776 HOH A O 1 HETATM 3643 O O . HOH L 8 . ? 25.207 8.445 0.170 1.00 13.71 ? 777 HOH A O 1 HETATM 3644 O O . HOH L 8 . ? 10.074 -11.231 -3.061 1.00 29.96 ? 778 HOH A O 1 HETATM 3645 O O . HOH L 8 . ? 23.943 -4.487 -10.829 1.00 44.26 ? 779 HOH A O 1 HETATM 3646 O O . HOH L 8 . ? 7.686 -13.314 22.082 1.00 6.89 ? 780 HOH A O 1 HETATM 3647 O O . HOH L 8 . ? 34.729 -3.014 21.798 1.00 19.86 ? 781 HOH A O 1 HETATM 3648 O O . HOH L 8 . ? 4.243 20.863 23.522 1.00 33.38 ? 782 HOH A O 1 HETATM 3649 O O . HOH L 8 . ? -5.451 -3.514 27.679 1.00 16.76 ? 783 HOH A O 1 HETATM 3650 O O . HOH L 8 . ? 1.042 13.277 25.830 1.00 18.28 ? 784 HOH A O 1 HETATM 3651 O O . HOH L 8 . ? 34.959 -3.313 34.649 1.00 38.30 ? 785 HOH A O 1 HETATM 3652 O O . HOH L 8 . ? 24.871 4.877 44.293 1.00 25.27 ? 786 HOH A O 1 HETATM 3653 O O A HOH L 8 . ? 15.065 -21.562 3.962 0.50 8.51 ? 787 HOH A O 1 HETATM 3654 O O B HOH L 8 . ? 14.556 -22.751 5.312 0.50 13.91 ? 787 HOH A O 1 HETATM 3655 O O . HOH L 8 . ? 9.327 -2.654 0.942 1.00 14.81 ? 788 HOH A O 1 HETATM 3656 O O . HOH L 8 . ? 6.158 -2.636 -5.701 1.00 47.95 ? 789 HOH A O 1 HETATM 3657 O O . HOH L 8 . ? 7.260 -0.192 46.933 1.00 11.19 ? 790 HOH A O 1 HETATM 3658 O O . HOH L 8 . ? 20.221 -1.077 10.233 1.00 5.70 ? 791 HOH A O 1 HETATM 3659 O O . HOH L 8 . ? 18.077 20.825 25.890 1.00 39.93 ? 792 HOH A O 1 HETATM 3660 O O . HOH L 8 . ? 30.617 -1.261 21.233 1.00 13.16 ? 793 HOH A O 1 HETATM 3661 O O . HOH L 8 . ? -0.737 -22.491 28.251 1.00 23.67 ? 794 HOH A O 1 HETATM 3662 O O . HOH L 8 . ? 8.785 -20.890 10.306 0.79 43.72 ? 795 HOH A O 1 HETATM 3663 O O . HOH L 8 . ? 33.077 2.952 16.859 1.00 24.76 ? 796 HOH A O 1 HETATM 3664 O O . HOH L 8 . ? 13.540 15.031 10.302 1.00 27.05 ? 797 HOH A O 1 HETATM 3665 O O . HOH L 8 . ? -0.172 -13.262 23.862 1.00 10.75 ? 798 HOH A O 1 HETATM 3666 O O . HOH L 8 . ? -9.985 1.357 30.604 1.00 30.00 ? 799 HOH A O 1 HETATM 3667 O O . HOH L 8 . ? 10.942 -25.330 32.814 1.00 40.29 ? 800 HOH A O 1 HETATM 3668 O O . HOH L 8 . ? 34.168 0.957 19.342 1.00 30.66 ? 801 HOH A O 1 HETATM 3669 O O . HOH L 8 . ? 21.679 -16.824 -8.112 0.47 11.63 ? 802 HOH A O 1 HETATM 3670 O O . HOH L 8 . ? 21.720 16.687 18.466 1.00 28.95 ? 803 HOH A O 1 HETATM 3671 O O . HOH L 8 . ? 12.942 -22.191 43.764 1.00 7.65 ? 804 HOH A O 1 HETATM 3672 O O . HOH L 8 . ? 32.694 -16.487 -3.206 0.73 24.15 ? 805 HOH A O 1 HETATM 3673 O O . HOH L 8 . ? 24.114 -14.653 34.810 1.00 28.19 ? 806 HOH A O 1 HETATM 3674 O O . HOH L 8 . ? 14.126 10.165 1.736 1.00 21.33 ? 807 HOH A O 1 HETATM 3675 O O . HOH L 8 . ? 28.383 -8.997 23.871 1.00 8.13 ? 808 HOH A O 1 HETATM 3676 O O . HOH L 8 . ? 23.713 9.488 5.595 1.00 7.88 ? 809 HOH A O 1 HETATM 3677 O O . HOH L 8 . ? 4.766 12.936 26.576 1.00 7.22 ? 810 HOH A O 1 HETATM 3678 O O . HOH L 8 . ? 3.204 -13.822 11.279 0.83 42.84 ? 811 HOH A O 1 HETATM 3679 O O . HOH L 8 . ? 21.529 1.498 -6.838 1.00 14.92 ? 812 HOH A O 1 HETATM 3680 O O . HOH L 8 . ? 21.579 -15.288 31.981 1.00 24.38 ? 813 HOH A O 1 HETATM 3681 O O . HOH L 8 . ? -4.603 4.403 16.022 1.00 20.66 ? 814 HOH A O 1 HETATM 3682 O O . HOH L 8 . ? 3.523 -7.153 46.353 0.77 34.97 ? 815 HOH A O 1 HETATM 3683 O O . HOH L 8 . ? -5.722 -16.260 13.311 1.00 38.18 ? 816 HOH A O 1 HETATM 3684 O O . HOH L 8 . ? 16.563 -6.043 3.831 1.00 18.04 ? 817 HOH A O 1 HETATM 3685 O O . HOH L 8 . ? 15.617 -15.294 37.649 1.00 18.92 ? 818 HOH A O 1 HETATM 3686 O O . HOH L 8 . ? 31.716 -6.479 -7.729 1.00 28.51 ? 819 HOH A O 1 HETATM 3687 O O . HOH L 8 . ? -0.204 11.862 23.575 1.00 14.64 ? 820 HOH A O 1 HETATM 3688 O O . HOH L 8 . ? 9.297 -3.089 -2.010 1.00 22.17 ? 821 HOH A O 1 HETATM 3689 O O . HOH L 8 . ? 0.797 7.396 22.797 1.00 8.02 ? 822 HOH A O 1 HETATM 3690 O O . HOH L 8 . ? 18.734 -14.637 39.179 1.00 22.38 ? 823 HOH A O 1 HETATM 3691 O O . HOH L 8 . ? 23.250 16.670 27.467 1.00 16.00 ? 824 HOH A O 1 HETATM 3692 O O . HOH L 8 . ? 5.244 -14.083 8.902 1.00 34.05 ? 825 HOH A O 1 HETATM 3693 O O . HOH L 8 . ? 10.739 1.346 31.911 1.00 6.92 ? 826 HOH A O 1 HETATM 3694 O O . HOH L 8 . ? 31.931 18.240 33.860 1.00 22.72 ? 827 HOH A O 1 HETATM 3695 O O . HOH L 8 . ? 14.273 15.731 14.158 1.00 14.39 ? 828 HOH A O 1 HETATM 3696 O O . HOH L 8 . ? 0.676 -10.861 40.405 1.00 23.08 ? 829 HOH A O 1 HETATM 3697 O O . HOH L 8 . ? 15.885 -5.893 31.082 1.00 8.93 ? 830 HOH A O 1 HETATM 3698 O O . HOH L 8 . ? 24.014 13.621 3.556 1.00 11.07 ? 831 HOH A O 1 HETATM 3699 O O . HOH L 8 . ? -7.430 0.252 24.239 1.00 30.45 ? 832 HOH A O 1 HETATM 3700 O O . HOH L 8 . ? 7.435 -10.753 5.682 1.00 27.93 ? 833 HOH A O 1 HETATM 3701 O O . HOH L 8 . ? -2.438 -8.622 7.852 1.00 28.18 ? 834 HOH A O 1 HETATM 3702 O O . HOH L 8 . ? 26.625 8.605 18.002 1.00 11.19 ? 835 HOH A O 1 HETATM 3703 O O . HOH L 8 . ? 13.654 -13.581 -5.470 1.00 24.26 ? 836 HOH A O 1 HETATM 3704 O O . HOH L 8 . ? 6.275 16.542 21.461 1.00 9.46 ? 837 HOH A O 1 HETATM 3705 O O . HOH L 8 . ? -3.648 5.960 22.057 1.00 18.45 ? 838 HOH A O 1 HETATM 3706 O O . HOH L 8 . ? -6.261 -3.696 17.255 1.00 30.91 ? 839 HOH A O 1 HETATM 3707 O O . HOH L 8 . ? 18.089 -11.693 9.496 1.00 5.46 ? 840 HOH A O 1 HETATM 3708 O O . HOH L 8 . ? 17.361 -15.187 43.078 0.97 16.86 ? 841 HOH A O 1 HETATM 3709 O O . HOH L 8 . ? 18.529 9.138 44.887 1.00 28.87 ? 842 HOH A O 1 HETATM 3710 O O . HOH L 8 . ? 18.011 -14.400 12.932 1.00 11.20 ? 843 HOH A O 1 HETATM 3711 O O . HOH L 8 . ? 19.996 0.959 -8.844 1.00 25.44 ? 844 HOH A O 1 HETATM 3712 O O . HOH L 8 . ? 29.555 20.765 39.409 0.61 32.51 ? 845 HOH A O 1 HETATM 3713 O O . HOH L 8 . ? 12.866 23.170 15.510 1.00 33.32 ? 846 HOH A O 1 HETATM 3714 O O . HOH L 8 . ? 24.964 -1.898 46.852 1.00 14.30 ? 847 HOH A O 1 HETATM 3715 O O . HOH L 8 . ? 17.213 -9.719 23.144 1.00 19.07 ? 848 HOH A O 1 HETATM 3716 O O . HOH L 8 . ? -0.609 10.957 29.805 1.00 20.60 ? 849 HOH A O 1 HETATM 3717 O O . HOH L 8 . ? -7.843 4.362 34.869 0.65 24.74 ? 850 HOH A O 1 HETATM 3718 O O . HOH L 8 . ? 9.911 -14.886 41.903 1.00 13.03 ? 851 HOH A O 1 HETATM 3719 O O . HOH L 8 . ? -1.531 -5.340 13.095 1.00 17.25 ? 852 HOH A O 1 HETATM 3720 O O . HOH L 8 . ? 10.545 -1.063 -2.637 1.00 20.43 ? 853 HOH A O 1 HETATM 3721 O O . HOH L 8 . ? 6.382 -17.011 39.702 1.00 16.10 ? 854 HOH A O 1 HETATM 3722 O O . HOH L 8 . ? 1.562 0.094 43.351 1.00 26.30 ? 855 HOH A O 1 HETATM 3723 O O . HOH L 8 . ? -8.460 -0.148 39.086 1.00 44.18 ? 856 HOH A O 1 HETATM 3724 O O . HOH L 8 . ? 32.611 0.124 2.879 1.00 22.89 ? 857 HOH A O 1 HETATM 3725 O O . HOH L 8 . ? -1.771 12.718 32.009 1.00 21.03 ? 858 HOH A O 1 HETATM 3726 O O . HOH L 8 . ? 33.889 9.979 9.221 1.00 27.51 ? 859 HOH A O 1 HETATM 3727 O O . HOH L 8 . ? 32.768 -15.714 -0.157 1.00 37.39 ? 860 HOH A O 1 HETATM 3728 O O . HOH L 8 . ? 9.892 -19.759 20.390 1.00 29.99 ? 861 HOH A O 1 HETATM 3729 O O . HOH L 8 . ? 24.830 -11.914 18.881 1.00 17.06 ? 862 HOH A O 1 HETATM 3730 O O . HOH L 8 . ? 33.167 20.184 30.302 1.00 21.44 ? 863 HOH A O 1 HETATM 3731 O O . HOH L 8 . ? 14.467 -2.357 29.533 1.00 9.32 ? 864 HOH A O 1 HETATM 3732 O O . HOH L 8 . ? 13.367 0.040 48.739 1.00 14.93 ? 865 HOH A O 1 HETATM 3733 O O . HOH L 8 . ? 23.873 16.075 40.169 1.00 22.13 ? 866 HOH A O 1 HETATM 3734 O O . HOH L 8 . ? 11.974 21.795 13.280 1.00 30.67 ? 867 HOH A O 1 HETATM 3735 O O . HOH L 8 . ? 2.755 5.897 7.061 1.00 11.61 ? 868 HOH A O 1 HETATM 3736 O O . HOH L 8 . ? 30.747 -6.046 8.656 1.00 19.11 ? 869 HOH A O 1 HETATM 3737 O O . HOH L 8 . ? 23.389 8.250 43.354 1.00 25.91 ? 870 HOH A O 1 HETATM 3738 O O . HOH L 8 . ? 33.332 1.499 35.111 1.00 33.62 ? 871 HOH A O 1 HETATM 3739 O O . HOH L 8 . ? -0.775 7.605 15.760 1.00 24.90 ? 872 HOH A O 1 HETATM 3740 O O . HOH L 8 . ? -1.777 -3.073 5.024 1.00 26.88 ? 873 HOH A O 1 HETATM 3741 O O . HOH L 8 . ? 36.334 -5.446 32.569 1.00 26.97 ? 874 HOH A O 1 HETATM 3742 O O . HOH L 8 . ? 11.117 19.066 40.845 1.00 25.70 ? 875 HOH A O 1 HETATM 3743 O O . HOH L 8 . ? -2.685 5.822 40.361 1.00 18.87 ? 876 HOH A O 1 HETATM 3744 O O . HOH L 8 . ? 28.020 6.060 38.449 0.45 17.64 ? 877 HOH A O 1 HETATM 3745 O O . HOH L 8 . ? 13.268 17.125 39.779 0.83 27.80 ? 878 HOH A O 1 HETATM 3746 O O . HOH L 8 . ? 28.068 -16.071 -1.374 1.00 19.68 ? 879 HOH A O 1 HETATM 3747 O O . HOH L 8 . ? 9.200 -22.808 12.151 0.67 33.77 ? 880 HOH A O 1 HETATM 3748 O O . HOH L 8 . ? -6.148 -11.950 20.725 1.00 31.90 ? 881 HOH A O 1 HETATM 3749 O O . HOH L 8 . ? -2.999 -8.488 11.403 1.00 21.69 ? 882 HOH A O 1 HETATM 3750 O O . HOH L 8 . ? -3.091 10.181 30.825 1.00 26.83 ? 883 HOH A O 1 HETATM 3751 O O . HOH L 8 . ? 19.821 -7.799 34.551 1.00 15.89 ? 884 HOH A O 1 HETATM 3752 O O . HOH L 8 . ? -4.529 -12.350 14.763 1.00 17.87 ? 885 HOH A O 1 HETATM 3753 O O . HOH L 8 . ? 29.621 2.205 -2.870 1.00 25.37 ? 886 HOH A O 1 HETATM 3754 O O . HOH L 8 . ? 26.588 0.463 13.276 1.00 15.50 ? 887 HOH A O 1 HETATM 3755 O O . HOH L 8 . ? 32.070 -3.024 22.522 1.00 9.27 ? 888 HOH A O 1 HETATM 3756 O O . HOH L 8 . ? -7.053 -10.919 18.863 0.37 20.43 ? 889 HOH A O 1 HETATM 3757 O O . HOH L 8 . ? 0.667 -6.626 35.379 1.00 19.58 ? 890 HOH A O 1 HETATM 3758 O O . HOH L 8 . ? -1.401 -0.444 22.479 1.00 10.37 ? 891 HOH A O 1 HETATM 3759 O O . HOH L 8 . ? -0.522 -15.805 30.467 1.00 19.35 ? 892 HOH A O 1 HETATM 3760 O O . HOH L 8 . ? 1.482 -17.522 12.973 1.00 19.74 ? 893 HOH A O 1 HETATM 3761 O O . HOH L 8 . ? 8.417 -17.518 9.789 1.00 24.43 ? 894 HOH A O 1 HETATM 3762 O O . HOH L 8 . ? 18.945 19.537 33.675 1.00 8.95 ? 895 HOH A O 1 HETATM 3763 O O . HOH L 8 . ? 5.950 -8.143 3.833 1.00 17.69 ? 896 HOH A O 1 HETATM 3764 O O . HOH L 8 . ? 29.915 7.477 9.395 1.00 11.13 ? 897 HOH A O 1 HETATM 3765 O O . HOH L 8 . ? 24.792 -22.590 24.235 0.75 36.82 ? 898 HOH A O 1 HETATM 3766 O O . HOH L 8 . ? 16.277 -11.210 48.785 0.94 21.97 ? 899 HOH A O 1 HETATM 3767 O O . HOH L 8 . ? 29.700 -18.204 3.509 1.00 24.32 ? 900 HOH A O 1 HETATM 3768 O O . HOH L 8 . ? 4.379 19.759 29.654 0.37 25.87 ? 901 HOH A O 1 HETATM 3769 O O . HOH L 8 . ? -1.538 9.324 20.086 1.00 17.28 ? 902 HOH A O 1 HETATM 3770 O O . HOH L 8 . ? 2.777 -18.796 23.107 1.00 18.66 ? 903 HOH A O 1 HETATM 3771 O O . HOH L 8 . ? 18.997 -6.925 18.828 1.00 19.46 ? 904 HOH A O 1 HETATM 3772 O O . HOH L 8 . ? 24.805 18.950 22.533 0.81 34.52 ? 905 HOH A O 1 HETATM 3773 O O . HOH L 8 . ? 13.548 -9.793 -11.640 1.00 25.13 ? 906 HOH A O 1 HETATM 3774 O O . HOH L 8 . ? -8.303 -0.070 26.529 1.00 20.44 ? 907 HOH A O 1 HETATM 3775 O O . HOH L 8 . ? 17.383 1.488 -11.928 0.76 44.27 ? 908 HOH A O 1 HETATM 3776 O O . HOH L 8 . ? 11.491 27.414 23.596 1.00 32.79 ? 909 HOH A O 1 HETATM 3777 O O . HOH L 8 . ? 19.640 3.163 45.058 1.00 31.82 ? 910 HOH A O 1 HETATM 3778 O O . HOH L 8 . ? -0.440 1.958 11.795 1.00 11.60 ? 911 HOH A O 1 HETATM 3779 O O . HOH L 8 . ? 20.768 -19.202 12.249 1.00 24.66 ? 912 HOH A O 1 HETATM 3780 O O . HOH L 8 . ? 6.859 21.665 29.295 1.00 26.67 ? 913 HOH A O 1 HETATM 3781 O O . HOH L 8 . ? 28.035 -0.467 41.350 1.00 15.61 ? 914 HOH A O 1 HETATM 3782 O O . HOH L 8 . ? 10.334 16.611 36.179 1.00 14.74 ? 915 HOH A O 1 HETATM 3783 O O . HOH L 8 . ? 21.285 -15.988 25.705 1.00 25.78 ? 916 HOH A O 1 HETATM 3784 O O A HOH L 8 . ? 29.682 -12.130 7.459 0.75 9.40 ? 917 HOH A O 1 HETATM 3785 O O B HOH L 8 . ? 31.547 -12.109 7.164 0.25 8.66 ? 917 HOH A O 1 HETATM 3786 O O . HOH L 8 . ? 11.952 -7.749 33.357 1.00 8.11 ? 918 HOH A O 1 HETATM 3787 O O . HOH L 8 . ? 19.225 16.663 40.231 1.00 25.78 ? 919 HOH A O 1 HETATM 3788 O O . HOH L 8 . ? 9.308 -23.708 30.564 1.00 32.57 ? 920 HOH A O 1 HETATM 3789 O O . HOH L 8 . ? 16.568 18.947 21.521 1.00 20.91 ? 921 HOH A O 1 HETATM 3790 O O . HOH L 8 . ? 16.287 6.638 -5.248 1.00 15.30 ? 922 HOH A O 1 HETATM 3791 O O . HOH L 8 . ? -1.509 1.788 27.833 1.00 7.01 ? 923 HOH A O 1 HETATM 3792 O O . HOH L 8 . ? 13.880 -3.958 -13.903 1.00 32.97 ? 924 HOH A O 1 HETATM 3793 O O . HOH L 8 . ? -8.779 -2.897 33.984 1.00 27.21 ? 925 HOH A O 1 HETATM 3794 O O . HOH L 8 . ? 27.236 13.870 7.227 1.00 25.06 ? 926 HOH A O 1 HETATM 3795 O O . HOH L 8 . ? 23.107 -6.379 36.492 1.00 19.53 ? 927 HOH A O 1 HETATM 3796 O O . HOH L 8 . ? 10.553 -12.325 15.734 1.00 25.34 ? 928 HOH A O 1 HETATM 3797 O O . HOH L 8 . ? 24.080 -6.231 -8.846 1.00 21.48 ? 929 HOH A O 1 HETATM 3798 O O . HOH L 8 . ? -0.997 6.984 13.243 1.00 22.85 ? 930 HOH A O 1 HETATM 3799 O O . HOH L 8 . ? 23.497 -18.294 -0.731 1.00 12.39 ? 931 HOH A O 1 HETATM 3800 O O . HOH L 8 . ? 22.830 10.689 24.873 1.00 6.56 ? 932 HOH A O 1 HETATM 3801 O O . HOH L 8 . ? 23.990 4.033 -4.391 1.00 8.93 ? 933 HOH A O 1 HETATM 3802 O O . HOH L 8 . ? 24.059 -17.820 26.542 1.00 32.43 ? 934 HOH A O 1 HETATM 3803 O O . HOH L 8 . ? 26.644 13.406 42.776 1.00 18.10 ? 935 HOH A O 1 HETATM 3804 O O . HOH L 8 . ? 15.274 5.868 45.927 1.00 13.69 ? 936 HOH A O 1 HETATM 3805 O O . HOH L 8 . ? 7.099 -1.457 0.629 1.00 14.56 ? 937 HOH A O 1 HETATM 3806 O O . HOH L 8 . ? 17.332 -21.329 37.163 1.00 24.86 ? 938 HOH A O 1 HETATM 3807 O O . HOH L 8 . ? 33.716 15.989 28.093 0.64 20.16 ? 939 HOH A O 1 HETATM 3808 O O . HOH L 8 . ? -4.186 -3.625 30.102 1.00 12.97 ? 940 HOH A O 1 HETATM 3809 O O . HOH L 8 . ? 12.325 -12.013 0.964 1.00 12.64 ? 941 HOH A O 1 HETATM 3810 O O . HOH L 8 . ? 7.982 5.873 -5.961 1.00 24.56 ? 942 HOH A O 1 HETATM 3811 O O . HOH L 8 . ? 2.802 -5.005 0.802 1.00 37.35 ? 943 HOH A O 1 HETATM 3812 O O . HOH L 8 . ? -1.684 -11.455 7.829 1.00 38.83 ? 944 HOH A O 1 HETATM 3813 O O . HOH L 8 . ? 25.321 3.838 12.612 1.00 13.74 ? 945 HOH A O 1 HETATM 3814 O O . HOH L 8 . ? 0.126 9.182 42.589 1.00 23.03 ? 946 HOH A O 1 HETATM 3815 O O . HOH L 8 . ? 36.065 2.003 6.032 1.00 34.00 ? 947 HOH A O 1 HETATM 3816 O O . HOH L 8 . ? 33.977 -14.616 -4.967 1.00 29.87 ? 948 HOH A O 1 HETATM 3817 O O . HOH L 8 . ? 29.236 -11.153 -8.314 1.00 24.41 ? 949 HOH A O 1 HETATM 3818 O O A HOH L 8 . ? 14.139 -3.596 22.681 0.69 7.15 ? 950 HOH A O 1 HETATM 3819 O O B HOH L 8 . ? 15.642 -3.035 23.126 0.31 7.09 ? 950 HOH A O 1 HETATM 3820 O O . HOH L 8 . ? 10.478 24.736 15.343 1.00 43.75 ? 951 HOH A O 1 HETATM 3821 O O . HOH L 8 . ? 16.314 8.190 -2.653 1.00 15.35 ? 952 HOH A O 1 HETATM 3822 O O . HOH L 8 . ? 33.529 -1.407 4.760 1.00 34.00 ? 953 HOH A O 1 HETATM 3823 O O . HOH L 8 . ? 24.507 -1.955 10.908 1.00 9.32 ? 954 HOH A O 1 HETATM 3824 O O . HOH L 8 . ? -0.821 -12.161 32.171 1.00 28.34 ? 955 HOH A O 1 HETATM 3825 O O . HOH L 8 . ? 11.089 -14.966 46.150 0.86 17.15 ? 956 HOH A O 1 HETATM 3826 O O . HOH L 8 . ? 33.039 -6.471 19.769 1.00 23.51 ? 957 HOH A O 1 HETATM 3827 O O . HOH L 8 . ? 19.318 20.332 36.276 1.00 25.42 ? 958 HOH A O 1 HETATM 3828 O O . HOH L 8 . ? 33.512 12.939 29.931 1.00 40.21 ? 959 HOH A O 1 HETATM 3829 O O . HOH L 8 . ? 26.034 -20.742 26.998 1.00 33.06 ? 960 HOH A O 1 HETATM 3830 O O . HOH L 8 . ? 24.303 -18.401 16.080 0.52 17.47 ? 961 HOH A O 1 HETATM 3831 O O . HOH L 8 . ? 22.404 -11.108 36.939 1.00 43.72 ? 962 HOH A O 1 HETATM 3832 O O . HOH L 8 . ? 20.447 5.449 -6.783 1.00 14.02 ? 963 HOH A O 1 HETATM 3833 O O . HOH L 8 . ? 9.817 28.497 30.160 1.00 31.15 ? 964 HOH A O 1 HETATM 3834 O O . HOH L 8 . ? 22.937 -21.156 24.654 0.51 23.52 ? 965 HOH A O 1 HETATM 3835 O O . HOH L 8 . ? 26.719 1.230 8.438 1.00 13.21 ? 966 HOH A O 1 HETATM 3836 O O . HOH L 8 . ? 13.148 13.008 5.465 1.00 20.22 ? 967 HOH A O 1 HETATM 3837 O O . HOH L 8 . ? 12.499 -5.741 51.565 1.00 22.19 ? 968 HOH A O 1 HETATM 3838 O O . HOH L 8 . ? 29.794 -5.605 -10.102 1.00 38.22 ? 969 HOH A O 1 HETATM 3839 O O . HOH L 8 . ? 33.309 3.690 19.997 1.00 23.26 ? 970 HOH A O 1 HETATM 3840 O O . HOH L 8 . ? -6.270 -4.634 38.662 1.00 36.57 ? 971 HOH A O 1 HETATM 3841 O O . HOH L 8 . ? 25.572 -16.806 2.437 1.00 10.18 ? 972 HOH A O 1 HETATM 3842 O O . HOH L 8 . ? 21.964 -7.691 -10.701 1.00 45.16 ? 973 HOH A O 1 HETATM 3843 O O . HOH L 8 . ? -4.025 8.546 37.594 1.00 17.77 ? 974 HOH A O 1 HETATM 3844 O O . HOH L 8 . ? 9.334 22.832 9.596 1.00 20.09 ? 975 HOH A O 1 HETATM 3845 O O . HOH L 8 . ? -4.946 -18.278 16.683 1.00 29.63 ? 976 HOH A O 1 HETATM 3846 O O . HOH L 8 . ? -2.481 -18.786 17.744 0.53 12.42 ? 977 HOH A O 1 HETATM 3847 O O . HOH L 8 . ? 13.131 7.546 40.371 1.00 10.75 ? 978 HOH A O 1 HETATM 3848 O O . HOH L 8 . ? 26.434 -0.793 6.388 1.00 8.57 ? 979 HOH A O 1 HETATM 3849 O O . HOH L 8 . ? 2.956 -20.379 33.872 1.00 30.57 ? 980 HOH A O 1 HETATM 3850 O O . HOH L 8 . ? 11.852 -1.830 0.651 1.00 11.02 ? 981 HOH A O 1 HETATM 3851 O O . HOH L 8 . ? 33.833 10.119 3.853 1.00 26.43 ? 982 HOH A O 1 HETATM 3852 O O . HOH L 8 . ? 3.697 11.635 7.255 1.00 18.66 ? 983 HOH A O 1 HETATM 3853 O O . HOH L 8 . ? 21.468 8.373 1.476 1.00 11.08 ? 984 HOH A O 1 HETATM 3854 O O . HOH L 8 . ? 10.575 -7.956 -9.697 1.00 34.43 ? 985 HOH A O 1 HETATM 3855 O O . HOH L 8 . ? 9.079 -1.970 -7.896 1.00 35.28 ? 986 HOH A O 1 HETATM 3856 O O . HOH L 8 . ? 25.627 -21.656 7.343 1.00 25.12 ? 987 HOH A O 1 HETATM 3857 O O . HOH L 8 . ? 17.505 0.492 -8.410 1.00 19.91 ? 988 HOH A O 1 HETATM 3858 O O . HOH L 8 . ? 7.890 -21.361 22.033 1.00 32.35 ? 989 HOH A O 1 HETATM 3859 O O A HOH L 8 . ? 21.686 19.532 37.070 0.66 10.41 ? 990 HOH A O 1 HETATM 3860 O O B HOH L 8 . ? 22.802 20.957 38.111 0.34 9.85 ? 990 HOH A O 1 HETATM 3861 O O . HOH L 8 . ? -2.882 -6.498 30.435 1.00 27.57 ? 991 HOH A O 1 HETATM 3862 O O . HOH L 8 . ? 8.553 -12.127 3.511 0.49 24.48 ? 992 HOH A O 1 HETATM 3863 O O . HOH L 8 . ? 35.029 -2.786 14.807 1.00 18.17 ? 993 HOH A O 1 HETATM 3864 O O . HOH L 8 . ? 6.523 -4.116 35.264 1.00 8.76 ? 994 HOH A O 1 HETATM 3865 O O . HOH L 8 . ? 16.183 -20.582 22.796 0.74 43.85 ? 995 HOH A O 1 HETATM 3866 O O . HOH L 8 . ? 19.144 21.576 28.155 1.00 37.82 ? 996 HOH A O 1 HETATM 3867 O O . HOH L 8 . ? 29.267 20.771 30.863 1.00 30.02 ? 997 HOH A O 1 HETATM 3868 O O . HOH L 8 . ? 18.452 -5.141 24.962 1.00 19.91 ? 998 HOH A O 1 HETATM 3869 O O . HOH L 8 . ? 19.651 -8.886 -13.022 1.00 27.93 ? 999 HOH A O 1 HETATM 3870 O O . HOH L 8 . ? 8.596 -17.065 41.234 1.00 19.89 ? 1000 HOH A O 1 HETATM 3871 O O . HOH L 8 . ? 30.928 -8.474 21.276 1.00 13.46 ? 1001 HOH A O 1 HETATM 3872 O O . HOH L 8 . ? 15.663 -18.622 1.081 1.00 12.39 ? 1002 HOH A O 1 HETATM 3873 O O . HOH L 8 . ? 8.786 18.326 33.812 1.00 21.70 ? 1003 HOH A O 1 HETATM 3874 O O . HOH L 8 . ? 26.917 -0.558 10.634 1.00 9.84 ? 1004 HOH A O 1 HETATM 3875 O O . HOH L 8 . ? 31.992 8.253 31.402 1.00 24.97 ? 1005 HOH A O 1 HETATM 3876 O O . HOH L 8 . ? 28.034 -21.796 17.271 0.79 37.86 ? 1006 HOH A O 1 HETATM 3877 O O . HOH L 8 . ? 20.768 -4.417 7.311 1.00 9.49 ? 1007 HOH A O 1 HETATM 3878 O O . HOH L 8 . ? 32.243 2.332 26.472 1.00 10.83 ? 1008 HOH A O 1 HETATM 3879 O O . HOH L 8 . ? 34.907 -10.606 17.875 1.00 10.89 ? 1009 HOH A O 1 HETATM 3880 O O . HOH L 8 . ? 18.910 -10.552 50.360 0.54 23.67 ? 1010 HOH A O 1 HETATM 3881 O O . HOH L 8 . ? 18.751 9.440 -2.040 1.00 17.82 ? 1011 HOH A O 1 HETATM 3882 O O . HOH L 8 . ? 15.039 -8.461 -0.350 1.00 5.02 ? 1012 HOH A O 1 HETATM 3883 O O . HOH L 8 . ? 29.327 1.884 26.388 1.00 10.90 ? 1013 HOH A O 1 HETATM 3884 O O . HOH L 8 . ? 26.482 15.357 26.956 1.00 30.38 ? 1014 HOH A O 1 HETATM 3885 O O . HOH L 8 . ? 2.212 13.153 10.947 0.63 19.46 ? 1015 HOH A O 1 HETATM 3886 O O A HOH L 8 . ? -2.253 8.411 10.740 0.67 19.71 ? 1016 HOH A O 1 HETATM 3887 O O B HOH L 8 . ? -3.485 7.712 11.778 0.33 9.97 ? 1016 HOH A O 1 HETATM 3888 O O . HOH L 8 . ? 35.423 -2.586 29.670 1.00 26.51 ? 1017 HOH A O 1 HETATM 3889 O O . HOH L 8 . ? 13.986 3.221 38.701 1.00 14.45 ? 1018 HOH A O 1 HETATM 3890 O O . HOH L 8 . ? -1.858 12.600 17.337 0.82 21.17 ? 1019 HOH A O 1 HETATM 3891 O O . HOH L 8 . ? 29.019 -7.775 45.287 0.44 7.34 ? 1020 HOH A O 1 HETATM 3892 O O . HOH L 8 . ? 28.435 -19.000 15.189 1.00 25.43 ? 1021 HOH A O 1 HETATM 3893 O O . HOH L 8 . ? 35.539 6.991 4.050 0.74 33.79 ? 1022 HOH A O 1 HETATM 3894 O O . HOH L 8 . ? 9.475 -9.540 15.961 1.00 12.80 ? 1023 HOH A O 1 HETATM 3895 O O . HOH L 8 . ? 36.123 -4.840 16.361 1.00 33.72 ? 1024 HOH A O 1 HETATM 3896 O O . HOH L 8 . ? 31.978 19.945 37.353 1.00 34.79 ? 1025 HOH A O 1 HETATM 3897 O O . HOH L 8 . ? 5.429 -5.625 -2.708 1.00 45.01 ? 1026 HOH A O 1 HETATM 3898 O O . HOH L 8 . ? 19.415 -9.500 36.818 1.00 19.86 ? 1027 HOH A O 1 HETATM 3899 O O . HOH L 8 . ? 2.605 4.981 4.232 1.00 18.80 ? 1028 HOH A O 1 HETATM 3900 O O . HOH L 8 . ? 10.904 0.814 35.475 1.00 6.87 ? 1029 HOH A O 1 HETATM 3901 O O . HOH L 8 . ? 20.911 15.549 15.500 1.00 12.20 ? 1030 HOH A O 1 HETATM 3902 O O . HOH L 8 . ? 16.326 -13.525 39.481 1.00 10.93 ? 1031 HOH A O 1 HETATM 3903 O O . HOH L 8 . ? 7.459 -23.195 34.570 1.00 39.36 ? 1032 HOH A O 1 HETATM 3904 O O . HOH L 8 . ? 31.100 -19.190 11.264 0.70 36.14 ? 1033 HOH A O 1 HETATM 3905 O O . HOH L 8 . ? -2.144 -6.545 32.993 1.00 13.28 ? 1034 HOH A O 1 HETATM 3906 O O . HOH L 8 . ? 16.699 26.015 29.493 1.00 19.47 ? 1035 HOH A O 1 HETATM 3907 O O . HOH L 8 . ? 35.716 -15.784 2.496 0.64 27.51 ? 1036 HOH A O 1 HETATM 3908 O O . HOH L 8 . ? 19.346 16.026 23.073 1.00 20.06 ? 1037 HOH A O 1 HETATM 3909 O O A HOH L 8 . ? 3.511 -9.208 3.883 0.52 16.84 ? 1038 HOH A O 1 HETATM 3910 O O B HOH L 8 . ? 2.757 -10.332 2.667 0.48 21.74 ? 1038 HOH A O 1 HETATM 3911 O O . HOH L 8 . ? 26.408 -19.778 17.189 1.00 29.63 ? 1039 HOH A O 1 HETATM 3912 O O . HOH L 8 . ? -5.766 -9.859 16.596 1.00 28.56 ? 1040 HOH A O 1 HETATM 3913 O O . HOH L 8 . ? 30.105 -8.547 7.111 1.00 29.54 ? 1041 HOH A O 1 HETATM 3914 O O . HOH L 8 . ? 19.835 -0.873 46.366 1.00 15.89 ? 1042 HOH A O 1 HETATM 3915 O O . HOH L 8 . ? -6.206 -2.649 40.997 0.83 41.23 ? 1043 HOH A O 1 HETATM 3916 O O . HOH L 8 . ? 0.443 -20.340 14.823 0.74 47.74 ? 1044 HOH A O 1 HETATM 3917 O O . HOH L 8 . ? 35.129 -15.396 17.186 1.00 12.17 ? 1045 HOH A O 1 HETATM 3918 O O . HOH L 8 . ? 7.392 22.423 13.781 1.00 44.77 ? 1046 HOH A O 1 HETATM 3919 O O . HOH L 8 . ? 26.952 10.391 15.355 1.00 15.08 ? 1047 HOH A O 1 HETATM 3920 O O . HOH L 8 . ? 4.108 -5.186 36.056 1.00 6.53 ? 1048 HOH A O 1 HETATM 3921 O O . HOH L 8 . ? 32.360 -18.722 7.542 1.00 26.41 ? 1049 HOH A O 1 HETATM 3922 O O . HOH L 8 . ? 21.951 -2.031 8.381 1.00 9.93 ? 1050 HOH A O 1 HETATM 3923 O O . HOH L 8 . ? 5.203 17.529 19.044 1.00 13.66 ? 1051 HOH A O 1 HETATM 3924 O O . HOH L 8 . ? 31.437 -19.555 16.488 1.00 39.98 ? 1052 HOH A O 1 HETATM 3925 O O . HOH L 8 . ? -1.913 -10.726 27.652 1.00 18.25 ? 1053 HOH A O 1 HETATM 3926 O O . HOH L 8 . ? 35.882 -0.009 28.883 1.00 30.29 ? 1054 HOH A O 1 HETATM 3927 O O . HOH L 8 . ? -0.155 14.853 40.658 1.00 27.58 ? 1055 HOH A O 1 HETATM 3928 O O . HOH L 8 . ? 31.375 6.375 -4.833 1.00 41.19 ? 1056 HOH A O 1 HETATM 3929 O O . HOH L 8 . ? 22.781 -17.283 2.167 1.00 8.28 ? 1057 HOH A O 1 HETATM 3930 O O . HOH L 8 . ? 14.461 2.625 49.611 1.00 41.84 ? 1058 HOH A O 1 HETATM 3931 O O . HOH L 8 . ? 3.726 15.054 27.806 1.00 13.38 ? 1059 HOH A O 1 HETATM 3932 O O . HOH L 8 . ? 27.541 10.476 11.500 1.00 15.50 ? 1060 HOH A O 1 HETATM 3933 O O . HOH L 8 . ? 13.134 -12.708 17.495 1.00 25.92 ? 1061 HOH A O 1 HETATM 3934 O O . HOH L 8 . ? 4.952 24.771 22.373 0.54 23.26 ? 1062 HOH A O 1 HETATM 3935 O O . HOH L 8 . ? 22.825 20.332 30.623 1.00 23.72 ? 1063 HOH A O 1 HETATM 3936 O O . HOH L 8 . ? -5.205 0.411 41.091 1.00 35.62 ? 1064 HOH A O 1 HETATM 3937 O O . HOH L 8 . ? 32.943 6.696 2.878 1.00 23.21 ? 1065 HOH A O 1 HETATM 3938 O O A HOH L 8 . ? 3.993 -3.176 51.229 0.68 37.02 ? 1066 HOH A O 1 HETATM 3939 O O B HOH L 8 . ? 5.356 -1.968 51.215 0.32 13.70 ? 1066 HOH A O 1 HETATM 3940 O O . HOH L 8 . ? 25.939 21.515 31.536 1.00 29.19 ? 1067 HOH A O 1 HETATM 3941 O O . HOH L 8 . ? 4.752 5.160 2.818 1.00 11.87 ? 1068 HOH A O 1 HETATM 3942 O O . HOH L 8 . ? 18.863 -16.381 41.629 0.51 17.09 ? 1069 HOH A O 1 HETATM 3943 O O . HOH L 8 . ? 4.488 -15.720 35.842 1.00 26.11 ? 1070 HOH A O 1 HETATM 3944 O O . HOH L 8 . ? 1.017 -15.769 24.691 1.00 18.38 ? 1071 HOH A O 1 HETATM 3945 O O . HOH L 8 . ? 32.807 -8.110 6.074 1.00 39.74 ? 1072 HOH A O 1 HETATM 3946 O O . HOH L 8 . ? 2.705 -8.169 35.585 1.00 26.30 ? 1073 HOH A O 1 HETATM 3947 O O . HOH L 8 . ? 25.748 -16.077 41.231 1.00 38.70 ? 1074 HOH A O 1 HETATM 3948 O O . HOH L 8 . ? 21.524 8.625 4.331 1.00 6.05 ? 1075 HOH A O 1 HETATM 3949 O O . HOH L 8 . ? 7.392 2.898 46.948 1.00 18.04 ? 1076 HOH A O 1 HETATM 3950 O O A HOH L 8 . ? 19.052 -6.533 15.175 0.46 6.27 ? 1077 HOH A O 1 HETATM 3951 O O B HOH L 8 . ? 18.301 -7.649 16.370 0.54 19.59 ? 1077 HOH A O 1 HETATM 3952 O O . HOH L 8 . ? 15.575 -8.703 -13.167 1.00 41.50 ? 1078 HOH A O 1 HETATM 3953 O O . HOH L 8 . ? 12.004 11.403 3.272 1.00 12.77 ? 1079 HOH A O 1 HETATM 3954 O O . HOH L 8 . ? 27.524 -1.519 -8.532 1.00 31.41 ? 1080 HOH A O 1 HETATM 3955 O O A HOH L 8 . ? 34.426 5.000 29.716 0.62 14.19 ? 1081 HOH A O 1 HETATM 3956 O O B HOH L 8 . ? 34.866 6.564 30.416 0.38 11.98 ? 1081 HOH A O 1 HETATM 3957 O O . HOH L 8 . ? 1.350 8.151 8.231 1.00 12.06 ? 1082 HOH A O 1 HETATM 3958 O O . HOH L 8 . ? 14.368 18.554 13.878 1.00 23.48 ? 1083 HOH A O 1 HETATM 3959 O O A HOH L 8 . ? 7.989 25.275 16.909 0.43 15.27 ? 1084 HOH A O 1 HETATM 3960 O O B HOH L 8 . ? 7.052 25.640 18.435 0.57 13.28 ? 1084 HOH A O 1 HETATM 3961 O O . HOH L 8 . ? -0.601 -8.655 39.697 1.00 28.15 ? 1085 HOH A O 1 HETATM 3962 O O . HOH L 8 . ? 29.398 12.119 8.882 0.77 28.33 ? 1086 HOH A O 1 HETATM 3963 O O . HOH L 8 . ? 17.066 -7.246 22.350 1.00 13.15 ? 1087 HOH A O 1 HETATM 3964 O O . HOH L 8 . ? 12.869 25.283 23.287 1.00 32.46 ? 1088 HOH A O 1 HETATM 3965 O O . HOH L 8 . ? 5.234 25.346 19.069 0.43 15.97 ? 1089 HOH A O 1 HETATM 3966 O O . HOH L 8 . ? 14.005 -20.944 31.209 1.00 29.12 ? 1090 HOH A O 1 HETATM 3967 O O . HOH L 8 . ? 8.578 -12.584 14.013 1.00 19.03 ? 1091 HOH A O 1 HETATM 3968 O O . HOH L 8 . ? -1.132 0.809 8.657 1.00 25.87 ? 1092 HOH A O 1 HETATM 3969 O O . HOH L 8 . ? -5.721 -5.690 19.318 1.00 36.13 ? 1093 HOH A O 1 HETATM 3970 O O . HOH L 8 . ? 1.382 14.302 29.251 1.00 19.09 ? 1094 HOH A O 1 HETATM 3971 O O . HOH L 8 . ? 14.535 -0.699 51.259 1.00 36.97 ? 1095 HOH A O 1 HETATM 3972 O O A HOH L 8 . ? 1.367 2.135 -2.186 0.46 10.77 ? 1096 HOH A O 1 HETATM 3973 O O B HOH L 8 . ? 2.264 1.572 -3.788 0.54 18.04 ? 1096 HOH A O 1 HETATM 3974 O O . HOH L 8 . ? -5.288 3.827 38.118 1.00 24.78 ? 1097 HOH A O 1 HETATM 3975 O O . HOH L 8 . ? -6.587 9.414 37.939 1.00 34.27 ? 1098 HOH A O 1 HETATM 3976 O O . HOH L 8 . ? 13.604 8.725 -2.843 1.00 10.22 ? 1099 HOH A O 1 HETATM 3977 O O . HOH L 8 . ? 27.527 -6.492 37.386 1.00 14.95 ? 1100 HOH A O 1 HETATM 3978 O O . HOH L 8 . ? 9.196 24.371 30.862 1.00 18.20 ? 1101 HOH A O 1 HETATM 3979 O O . HOH L 8 . ? 2.736 18.267 19.812 1.00 23.06 ? 1102 HOH A O 1 HETATM 3980 O O . HOH L 8 . ? 36.692 5.516 8.066 1.00 36.57 ? 1103 HOH A O 1 HETATM 3981 O O . HOH L 8 . ? 27.603 1.239 37.825 1.00 17.42 ? 1104 HOH A O 1 HETATM 3982 O O . HOH L 8 . ? 12.931 -21.276 7.858 1.00 30.74 ? 1105 HOH A O 1 HETATM 3983 O O A HOH L 8 . ? 27.152 16.804 43.198 0.79 28.06 ? 1106 HOH A O 1 HETATM 3984 O O B HOH L 8 . ? 28.941 17.465 42.423 0.21 9.36 ? 1106 HOH A O 1 HETATM 3985 O O A HOH L 8 . ? 19.892 -23.602 38.786 0.49 13.52 ? 1107 HOH A O 1 HETATM 3986 O O B HOH L 8 . ? 18.051 -23.931 38.329 0.51 15.38 ? 1107 HOH A O 1 HETATM 3987 O O . HOH L 8 . ? 25.607 -7.725 35.880 1.00 16.90 ? 1108 HOH A O 1 HETATM 3988 O O . HOH L 8 . ? 6.948 1.962 -6.974 1.00 40.12 ? 1109 HOH A O 1 HETATM 3989 O O . HOH L 8 . ? 22.596 -12.032 17.169 0.50 15.62 ? 1110 HOH A O 1 HETATM 3990 O O . HOH L 8 . ? -1.776 -1.621 7.412 1.00 24.70 ? 1111 HOH A O 1 HETATM 3991 O O . HOH L 8 . ? -0.200 14.987 22.566 1.00 22.98 ? 1112 HOH A O 1 HETATM 3992 O O . HOH L 8 . ? 3.370 4.728 0.539 1.00 40.94 ? 1113 HOH A O 1 HETATM 3993 O O . HOH L 8 . ? 24.791 13.264 26.562 1.00 13.41 ? 1114 HOH A O 1 HETATM 3994 O O . HOH L 8 . ? 29.998 -13.484 37.289 1.00 30.46 ? 1115 HOH A O 1 HETATM 3995 O O A HOH L 8 . ? 30.610 10.237 30.157 0.68 22.24 ? 1116 HOH A O 1 HETATM 3996 O O B HOH L 8 . ? 30.252 11.876 30.586 0.32 12.53 ? 1116 HOH A O 1 HETATM 3997 O O . HOH L 8 . ? 34.542 -9.258 1.006 1.00 11.78 ? 1117 HOH A O 1 HETATM 3998 O O . HOH L 8 . ? -6.862 -1.235 15.554 1.00 40.51 ? 1118 HOH A O 1 HETATM 3999 O O . HOH L 8 . ? 11.763 -19.137 26.466 1.00 37.60 ? 1119 HOH A O 1 HETATM 4000 O O . HOH L 8 . ? -2.911 -17.481 11.528 0.82 40.04 ? 1120 HOH A O 1 HETATM 4001 O O . HOH L 8 . ? 12.217 11.028 -2.059 1.00 28.59 ? 1121 HOH A O 1 HETATM 4002 O O . HOH L 8 . ? 34.418 -13.961 0.760 1.00 30.48 ? 1122 HOH A O 1 HETATM 4003 O O . HOH L 8 . ? -3.199 -19.684 23.523 1.00 45.38 ? 1123 HOH A O 1 HETATM 4004 O O . HOH L 8 . ? 2.824 14.627 7.123 1.00 39.59 ? 1124 HOH A O 1 HETATM 4005 O O . HOH L 8 . ? 32.783 13.748 36.149 1.00 40.52 ? 1125 HOH A O 1 HETATM 4006 O O . HOH L 8 . ? 31.260 -9.441 -7.847 1.00 33.23 ? 1126 HOH A O 1 HETATM 4007 O O . HOH L 8 . ? 19.011 -3.022 51.517 0.70 39.05 ? 1127 HOH A O 1 HETATM 4008 O O . HOH L 8 . ? 18.803 28.876 22.354 1.00 33.99 ? 1128 HOH A O 1 HETATM 4009 O O . HOH L 8 . ? 32.801 7.789 36.496 1.00 35.90 ? 1129 HOH A O 1 HETATM 4010 O O . HOH L 8 . ? 35.674 0.092 -1.166 0.52 19.59 ? 1130 HOH A O 1 HETATM 4011 O O . HOH L 8 . ? 5.678 -21.837 24.582 1.00 25.53 ? 1131 HOH A O 1 HETATM 4012 O O . HOH L 8 . ? -2.807 1.375 11.020 1.00 26.27 ? 1132 HOH A O 1 HETATM 4013 O O . HOH L 8 . ? 15.342 -12.147 -11.362 1.00 34.95 ? 1133 HOH A O 1 HETATM 4014 O O . HOH L 8 . ? -7.940 -2.886 24.265 0.45 20.21 ? 1134 HOH A O 1 HETATM 4015 O O . HOH L 8 . ? -7.453 1.703 13.728 0.73 33.84 ? 1135 HOH A O 1 HETATM 4016 O O . HOH L 8 . ? 18.349 25.241 32.581 0.96 43.05 ? 1136 HOH A O 1 HETATM 4017 O O . HOH L 8 . ? -3.144 -6.549 25.627 1.00 16.84 ? 1137 HOH A O 1 HETATM 4018 O O . HOH L 8 . ? 5.718 4.264 -0.707 1.00 38.57 ? 1138 HOH A O 1 HETATM 4019 O O . HOH L 8 . ? 18.322 -14.301 18.894 1.00 41.95 ? 1139 HOH A O 1 HETATM 4020 O O . HOH L 8 . ? 15.865 -11.841 23.482 0.86 37.56 ? 1140 HOH A O 1 HETATM 4021 O O . HOH L 8 . ? 16.115 -5.989 54.236 0.58 14.85 ? 1141 HOH A O 1 HETATM 4022 O O . HOH L 8 . ? 27.707 2.996 13.710 1.00 20.70 ? 1142 HOH A O 1 HETATM 4023 O O . HOH L 8 . ? 29.924 -16.120 0.752 1.00 36.23 ? 1143 HOH A O 1 HETATM 4024 O O . HOH L 8 . ? -5.239 15.024 32.530 1.00 28.78 ? 1144 HOH A O 1 HETATM 4025 O O . HOH L 8 . ? 22.068 -5.046 -13.315 0.88 40.87 ? 1145 HOH A O 1 HETATM 4026 O O . HOH L 8 . ? 15.195 -5.943 -14.031 1.00 34.98 ? 1146 HOH A O 1 HETATM 4027 O O . HOH L 8 . ? 35.190 -8.037 -3.119 1.00 29.29 ? 1147 HOH A O 1 HETATM 4028 O O . HOH L 8 . ? 0.496 -20.591 24.350 1.00 29.28 ? 1148 HOH A O 1 HETATM 4029 O O . HOH L 8 . ? 8.426 19.416 36.205 0.74 15.94 ? 1149 HOH A O 1 HETATM 4030 O O . HOH L 8 . ? 30.821 -17.636 30.368 1.00 36.45 ? 1150 HOH A O 1 HETATM 4031 O O . HOH L 8 . ? 36.799 -11.581 11.139 1.00 39.13 ? 1151 HOH A O 1 HETATM 4032 O O . HOH L 8 . ? 20.088 15.624 42.552 1.00 33.85 ? 1152 HOH A O 1 HETATM 4033 O O . HOH L 8 . ? 16.677 -20.118 30.714 0.74 21.56 ? 1153 HOH A O 1 HETATM 4034 O O . HOH L 8 . ? 27.271 2.835 10.875 1.00 42.04 ? 1154 HOH A O 1 HETATM 4035 O O . HOH L 8 . ? -9.026 -5.664 16.255 0.71 32.33 ? 1155 HOH A O 1 HETATM 4036 O O . HOH L 8 . ? 17.825 31.612 24.148 0.89 42.38 ? 1156 HOH A O 1 HETATM 4037 O O . HOH L 8 . ? 10.315 -5.052 -10.121 0.81 41.41 ? 1157 HOH A O 1 HETATM 4038 O O . HOH L 8 . ? 17.780 15.642 44.149 1.00 19.28 ? 1158 HOH A O 1 HETATM 4039 O O . HOH L 8 . ? 30.111 -17.238 -3.073 1.00 25.79 ? 1159 HOH A O 1 HETATM 4040 O O . HOH L 8 . ? -9.026 -8.268 16.141 0.62 31.72 ? 1160 HOH A O 1 HETATM 4041 O O . HOH L 8 . ? 34.963 -10.590 22.527 1.00 36.81 ? 1161 HOH A O 1 HETATM 4042 O O . HOH L 8 . ? 25.441 22.605 29.005 1.00 36.87 ? 1162 HOH A O 1 HETATM 4043 O O . HOH L 8 . ? 18.989 -18.462 14.469 1.00 21.81 ? 1163 HOH A O 1 HETATM 4044 O O . HOH L 8 . ? 36.390 8.411 7.139 1.00 45.14 ? 1164 HOH A O 1 HETATM 4045 O O . HOH L 8 . ? 1.054 -12.472 3.537 1.00 44.16 ? 1165 HOH A O 1 HETATM 4046 O O . HOH L 8 . ? 8.366 -11.209 1.642 0.51 17.84 ? 1166 HOH A O 1 HETATM 4047 O O . HOH L 8 . ? 35.486 -2.844 0.000 0.33 16.10 ? 1167 HOH A O 1 HETATM 4048 O O . HOH L 8 . ? 21.600 16.302 11.039 1.00 23.42 ? 1168 HOH A O 1 HETATM 4049 O O . HOH L 8 . ? 14.088 -13.854 14.738 1.00 23.30 ? 1169 HOH A O 1 HETATM 4050 O O . HOH L 8 . ? 6.325 19.858 13.788 1.00 32.17 ? 1170 HOH A O 1 HETATM 4051 O O . HOH L 8 . ? 3.237 21.902 25.460 1.00 39.95 ? 1171 HOH A O 1 HETATM 4052 O O . HOH L 8 . ? 16.914 20.599 19.215 1.00 32.53 ? 1172 HOH A O 1 HETATM 4053 O O . HOH L 8 . ? 20.305 13.025 45.477 1.00 43.50 ? 1173 HOH A O 1 HETATM 4054 O O . HOH L 8 . ? 20.124 -21.844 12.823 1.00 33.29 ? 1174 HOH A O 1 HETATM 4055 O O A HOH L 8 . ? 31.295 -13.118 -9.121 0.51 19.50 ? 1175 HOH A O 1 HETATM 4056 O O B HOH L 8 . ? 29.299 -13.653 -8.770 0.49 20.18 ? 1175 HOH A O 1 HETATM 4057 O O . HOH L 8 . ? 28.039 -9.372 43.548 1.00 31.06 ? 1176 HOH A O 1 HETATM 4058 O O A HOH L 8 . ? 20.001 -9.576 19.025 0.53 9.30 ? 1177 HOH A O 1 HETATM 4059 O O B HOH L 8 . ? 18.810 -9.343 20.162 0.47 9.70 ? 1177 HOH A O 1 HETATM 4060 O O . HOH L 8 . ? 14.164 -27.967 35.243 1.00 29.81 ? 1178 HOH A O 1 HETATM 4061 O O A HOH L 8 . ? 6.816 16.798 11.834 0.57 7.19 ? 1179 HOH A O 1 HETATM 4062 O O B HOH L 8 . ? 7.997 17.021 11.000 0.43 5.78 ? 1179 HOH A O 1 HETATM 4063 O O . HOH L 8 . ? 10.460 -15.803 0.322 1.00 37.36 ? 1180 HOH A O 1 HETATM 4064 O O . HOH L 8 . ? 29.493 10.005 15.379 1.00 30.15 ? 1181 HOH A O 1 HETATM 4065 O O . HOH L 8 . ? 18.030 -16.261 15.188 1.00 22.00 ? 1182 HOH A O 1 HETATM 4066 O O . HOH L 8 . ? 28.704 8.977 38.838 1.00 38.01 ? 1183 HOH A O 1 HETATM 4067 O O . HOH L 8 . ? 10.347 2.862 -11.005 1.00 38.33 ? 1184 HOH A O 1 HETATM 4068 O O . HOH L 8 . ? 3.753 24.417 16.735 1.00 42.58 ? 1185 HOH A O 1 HETATM 4069 O O . HOH L 8 . ? 20.513 7.979 46.138 1.00 41.79 ? 1186 HOH A O 1 HETATM 4070 O O . HOH L 8 . ? 34.331 -1.139 35.896 1.00 32.82 ? 1187 HOH A O 1 HETATM 4071 O O . HOH L 8 . ? 13.796 20.587 11.373 1.00 34.27 ? 1188 HOH A O 1 HETATM 4072 O O . HOH L 8 . ? 18.335 -12.803 47.784 1.00 32.06 ? 1189 HOH A O 1 HETATM 4073 O O . HOH L 8 . ? 9.614 13.320 0.308 1.00 29.27 ? 1190 HOH A O 1 HETATM 4074 O O . HOH L 8 . ? 4.951 24.677 25.544 0.62 35.42 ? 1191 HOH A O 1 HETATM 4075 O O . HOH L 8 . ? 16.230 -25.636 39.082 1.00 31.56 ? 1192 HOH A O 1 HETATM 4076 O O . HOH L 8 . ? 27.958 10.463 42.208 0.59 18.36 ? 1193 HOH A O 1 HETATM 4077 O O . HOH L 8 . ? 17.792 16.339 20.880 1.00 20.36 ? 1194 HOH A O 1 HETATM 4078 O O . HOH L 8 . ? -0.756 12.332 8.619 0.61 28.02 ? 1195 HOH A O 1 HETATM 4079 O O . HOH L 8 . ? 11.118 -13.132 -5.004 1.00 36.07 ? 1196 HOH A O 1 HETATM 4080 O O . HOH L 8 . ? -5.180 -8.002 12.285 1.00 41.06 ? 1197 HOH A O 1 HETATM 4081 O O . HOH L 8 . ? 5.159 -13.082 1.536 1.00 41.23 ? 1198 HOH A O 1 HETATM 4082 O O . HOH L 8 . ? -6.705 -5.086 23.666 1.00 36.02 ? 1199 HOH A O 1 HETATM 4083 O O . HOH L 8 . ? 35.316 -1.922 32.300 0.79 31.59 ? 1200 HOH A O 1 HETATM 4084 O O . HOH L 8 . ? -5.468 -9.185 19.265 0.74 31.79 ? 1201 HOH A O 1 HETATM 4085 O O . HOH L 8 . ? -0.643 16.675 33.897 0.62 39.97 ? 1202 HOH A O 1 HETATM 4086 O O . HOH L 8 . ? 32.818 10.104 27.365 1.00 24.67 ? 1203 HOH A O 1 HETATM 4087 O O . HOH L 8 . ? -6.046 11.042 12.952 1.00 29.84 ? 1204 HOH A O 1 HETATM 4088 O O . HOH L 8 . ? 4.911 -22.208 35.565 0.74 31.49 ? 1205 HOH A O 1 HETATM 4089 O O . HOH L 8 . ? 17.359 -12.017 51.932 1.00 30.15 ? 1206 HOH A O 1 HETATM 4090 O O . HOH L 8 . ? -2.131 -6.290 42.121 0.68 39.26 ? 1207 HOH A O 1 HETATM 4091 O O . HOH L 8 . ? 33.636 13.240 33.774 0.61 28.36 ? 1208 HOH A O 1 HETATM 4092 O O . HOH L 8 . ? 14.096 -19.209 14.889 1.00 30.72 ? 1209 HOH A O 1 HETATM 4093 O O . HOH L 8 . ? 34.483 -13.749 27.645 0.91 44.02 ? 1210 HOH A O 1 HETATM 4094 O O . HOH L 8 . ? 33.271 4.664 -2.902 1.00 34.42 ? 1211 HOH A O 1 HETATM 4095 O O . HOH L 8 . ? 30.734 -11.069 31.024 1.00 31.52 ? 1212 HOH A O 1 HETATM 4096 O O . HOH L 8 . ? 16.862 -20.722 14.607 1.00 38.71 ? 1213 HOH A O 1 HETATM 4097 O O . HOH L 8 . ? 16.070 -12.388 13.760 1.00 12.72 ? 1214 HOH A O 1 HETATM 4098 O O . HOH L 8 . ? -5.177 -2.941 12.472 1.00 28.33 ? 1215 HOH A O 1 HETATM 4099 O O . HOH L 8 . ? 32.542 11.805 32.374 0.69 33.79 ? 1216 HOH A O 1 HETATM 4100 O O . HOH L 8 . ? -9.139 0.812 20.185 1.00 42.55 ? 1217 HOH A O 1 HETATM 4101 O O . HOH L 8 . ? 18.097 -16.246 37.187 1.00 20.58 ? 1218 HOH A O 1 HETATM 4102 O O . HOH L 8 . ? 19.086 -16.653 26.647 1.00 28.44 ? 1219 HOH A O 1 HETATM 4103 O O . HOH L 8 . ? 13.163 -20.775 2.915 1.00 20.05 ? 1220 HOH A O 1 HETATM 4104 O O . HOH L 8 . ? 33.664 -17.487 21.683 1.00 35.71 ? 1221 HOH A O 1 HETATM 4105 O O . HOH L 8 . ? 22.072 -13.660 35.405 0.74 29.06 ? 1222 HOH A O 1 HETATM 4106 O O . HOH L 8 . ? 0.821 -18.177 34.677 1.00 46.27 ? 1223 HOH A O 1 HETATM 4107 O O . HOH L 8 . ? 17.618 11.674 45.720 1.00 34.05 ? 1224 HOH A O 1 HETATM 4108 O O . HOH L 8 . ? 17.399 3.475 49.043 1.00 33.30 ? 1225 HOH A O 1 HETATM 4109 O O . HOH L 8 . ? 14.887 -16.522 14.963 1.00 32.12 ? 1226 HOH A O 1 HETATM 4110 O O . HOH L 8 . ? 4.927 -19.407 36.034 0.80 38.30 ? 1227 HOH A O 1 HETATM 4111 O O . HOH L 8 . ? 27.020 13.043 10.305 1.00 24.49 ? 1228 HOH A O 1 HETATM 4112 O O A HOH L 8 . ? 32.832 -20.105 26.905 0.51 14.11 ? 1229 HOH A O 1 HETATM 4113 O O B HOH L 8 . ? 33.524 -18.890 27.824 0.49 12.44 ? 1229 HOH A O 1 HETATM 4114 O O . HOH L 8 . ? 31.264 -18.386 23.063 1.00 35.51 ? 1230 HOH A O 1 HETATM 4115 O O . HOH L 8 . ? 2.006 18.734 22.567 1.00 35.99 ? 1231 HOH A O 1 HETATM 4116 O O . HOH L 8 . ? 25.136 18.430 41.418 0.90 40.52 ? 1232 HOH A O 1 HETATM 4117 O O . HOH L 8 . ? 30.125 -21.095 27.429 1.00 28.58 ? 1233 HOH A O 1 HETATM 4118 O O . HOH L 8 . ? 5.671 18.946 11.673 1.00 43.42 ? 1234 HOH A O 1 HETATM 4119 O O . HOH L 8 . ? -2.025 -13.040 26.264 1.00 22.90 ? 1235 HOH A O 1 HETATM 4120 O O . HOH L 8 . ? -2.871 15.855 40.366 1.00 32.87 ? 1236 HOH A O 1 HETATM 4121 O O . HOH L 8 . ? 24.439 16.509 18.214 1.00 40.89 ? 1237 HOH A O 1 HETATM 4122 O O . HOH L 8 . ? 11.370 7.452 -7.322 1.00 37.91 ? 1238 HOH A O 1 HETATM 4123 O O . HOH L 8 . ? -7.504 7.603 29.595 1.00 37.52 ? 1239 HOH A O 1 HETATM 4124 O O . HOH L 8 . ? 23.834 17.019 9.718 1.00 31.75 ? 1240 HOH A O 1 HETATM 4125 O O . HOH L 8 . ? 21.433 18.588 24.387 0.80 37.51 ? 1241 HOH A O 1 HETATM 4126 O O . HOH L 8 . ? 21.922 10.623 -0.218 1.00 21.89 ? 1242 HOH A O 1 HETATM 4127 O O . HOH L 8 . ? 21.480 19.535 41.971 0.94 37.29 ? 1243 HOH A O 1 HETATM 4128 O O . HOH L 8 . ? 27.553 -3.720 39.590 1.00 36.33 ? 1244 HOH A O 1 HETATM 4129 O O . HOH L 8 . ? 23.969 2.864 -7.044 1.00 25.42 ? 1245 HOH A O 1 HETATM 4130 O O . HOH L 8 . ? 26.465 -3.297 -10.408 1.00 33.47 ? 1246 HOH A O 1 HETATM 4131 O O . HOH L 8 . ? 35.226 14.532 26.925 0.81 25.31 ? 1247 HOH A O 1 HETATM 4132 O O . HOH L 8 . ? 0.547 -14.341 5.514 0.57 26.06 ? 1248 HOH A O 1 HETATM 4133 O O . HOH L 8 . ? 33.345 -9.830 30.565 1.00 40.39 ? 1249 HOH A O 1 HETATM 4134 O O . HOH L 8 . ? -8.249 2.182 22.069 0.81 48.56 ? 1250 HOH A O 1 HETATM 4135 O O . HOH L 8 . ? 20.173 22.179 32.809 0.59 15.97 ? 1251 HOH A O 1 HETATM 4136 O O . HOH L 8 . ? 7.637 -14.456 10.213 1.00 23.20 ? 1252 HOH A O 1 HETATM 4137 O O . HOH L 8 . ? 8.031 -21.485 14.757 1.00 44.62 ? 1253 HOH A O 1 HETATM 4138 O O . HOH L 8 . ? 1.006 18.079 17.701 1.00 15.82 ? 1254 HOH A O 1 HETATM 4139 O O . HOH L 8 . ? -9.582 0.596 36.857 0.66 31.27 ? 1255 HOH A O 1 HETATM 4140 O O . HOH L 8 . ? 35.745 2.400 16.225 1.00 48.28 ? 1256 HOH A O 1 HETATM 4141 O O . HOH L 8 . ? -7.119 -16.632 16.973 1.00 32.11 ? 1257 HOH A O 1 HETATM 4142 O O . HOH L 8 . ? 10.344 -21.170 8.232 1.00 40.70 ? 1258 HOH A O 1 HETATM 4143 O O . HOH L 8 . ? 34.541 -13.994 10.392 0.68 29.77 ? 1259 HOH A O 1 HETATM 4144 O O . HOH L 8 . ? 30.554 -0.993 37.460 1.00 24.03 ? 1260 HOH A O 1 HETATM 4145 O O . HOH L 8 . ? 26.502 1.449 -7.818 1.00 26.10 ? 1261 HOH A O 1 HETATM 4146 O O A HOH L 8 . ? -0.377 -14.346 10.662 0.71 23.89 ? 1262 HOH A O 1 HETATM 4147 O O B HOH L 8 . ? 1.226 -13.668 9.976 0.29 9.85 ? 1262 HOH A O 1 HETATM 4148 O O . HOH L 8 . ? 7.988 24.372 11.955 1.00 45.77 ? 1263 HOH A O 1 HETATM 4149 O O . HOH L 8 . ? -0.000 -4.104 0.000 0.48 37.36 ? 1264 HOH A O 1 HETATM 4150 O O . HOH L 8 . ? -1.217 7.904 7.814 1.00 26.43 ? 1265 HOH A O 1 HETATM 4151 O O . HOH L 8 . ? 20.495 -17.131 30.272 0.55 22.73 ? 1266 HOH A O 1 HETATM 4152 O O . HOH L 8 . ? 31.425 6.795 19.438 0.75 22.53 ? 1267 HOH A O 1 HETATM 4153 O O . HOH L 8 . ? 21.970 -16.886 38.019 1.00 41.57 ? 1268 HOH A O 1 HETATM 4154 O O . HOH L 8 . ? -0.371 -16.737 11.530 1.00 28.02 ? 1269 HOH A O 1 HETATM 4155 O O . HOH L 8 . ? 19.611 -6.806 -15.691 0.89 40.46 ? 1270 HOH A O 1 HETATM 4156 O O . HOH L 8 . ? 30.926 4.058 -6.463 1.00 46.69 ? 1271 HOH A O 1 HETATM 4157 O O . HOH L 8 . ? 7.325 -10.255 -6.633 0.53 25.39 ? 1272 HOH A O 1 HETATM 4158 O O . HOH L 8 . ? -1.735 7.751 22.533 1.00 20.21 ? 1273 HOH A O 1 HETATM 4159 O O . HOH L 8 . ? 22.728 19.229 27.087 1.00 30.33 ? 1274 HOH A O 1 HETATM 4160 O O . HOH L 8 . ? 25.782 15.522 4.453 1.00 28.11 ? 1275 HOH A O 1 HETATM 4161 O O . HOH L 8 . ? 27.332 6.427 -5.654 1.00 35.67 ? 1276 HOH A O 1 HETATM 4162 O O . HOH L 8 . ? 13.533 7.443 -5.540 1.00 27.11 ? 1277 HOH A O 1 HETATM 4163 O O . HOH L 8 . ? -7.484 -14.052 13.290 0.83 36.70 ? 1278 HOH A O 1 HETATM 4164 O O . HOH L 8 . ? 27.911 -20.258 4.006 1.00 22.55 ? 1279 HOH A O 1 HETATM 4165 O O . HOH L 8 . ? 6.639 -18.232 8.033 1.00 34.48 ? 1280 HOH A O 1 HETATM 4166 O O . HOH L 8 . ? 28.014 7.376 41.152 0.69 26.91 ? 1281 HOH A O 1 HETATM 4167 O O . HOH L 8 . ? -2.826 -10.657 5.100 0.84 45.74 ? 1282 HOH A O 1 HETATM 4168 O O . HOH L 8 . ? 6.822 -0.893 -1.853 1.00 36.07 ? 1283 HOH A O 1 HETATM 4169 O O A HOH L 8 . ? 36.393 -0.775 18.438 0.38 20.15 ? 1284 HOH A O 1 HETATM 4170 O O B HOH L 8 . ? 36.467 -2.751 17.982 0.62 30.92 ? 1284 HOH A O 1 HETATM 4171 O O . HOH L 8 . ? -7.334 -4.572 13.644 0.51 30.71 ? 1285 HOH A O 1 HETATM 4172 O O . HOH L 8 . ? 9.926 -17.664 2.706 1.00 28.02 ? 1286 HOH A O 1 HETATM 4173 O O . HOH L 8 . ? 18.768 3.811 -12.481 0.64 33.31 ? 1287 HOH A O 1 HETATM 4174 O O . HOH L 8 . ? -10.358 -2.220 20.330 1.00 40.61 ? 1288 HOH A O 1 HETATM 4175 O O . HOH L 8 . ? 37.682 -6.815 28.703 0.34 14.86 ? 1289 HOH A O 1 HETATM 4176 O O A HOH L 8 . ? 14.859 24.937 21.973 0.54 24.56 ? 1290 HOH A O 1 HETATM 4177 O O B HOH L 8 . ? 15.078 24.568 20.436 0.46 14.10 ? 1290 HOH A O 1 HETATM 4178 O O . HOH L 8 . ? -0.888 14.908 31.497 1.00 39.87 ? 1291 HOH A O 1 HETATM 4179 O O . HOH L 8 . ? 34.165 4.005 27.058 1.00 17.32 ? 1292 HOH A O 1 HETATM 4180 O O . HOH L 8 . ? 0.407 -18.179 23.685 1.00 34.42 ? 1293 HOH A O 1 HETATM 4181 O O . HOH L 8 . ? 29.256 7.814 17.840 1.00 21.13 ? 1294 HOH A O 1 HETATM 4182 O O A HOH L 8 . ? -1.402 -20.959 17.065 0.67 22.32 ? 1295 HOH A O 1 HETATM 4183 O O B HOH L 8 . ? 0.260 -21.747 17.478 0.33 14.51 ? 1295 HOH A O 1 HETATM 4184 O O . HOH L 8 . ? 38.739 -10.711 14.341 1.00 25.83 ? 1296 HOH A O 1 HETATM 4185 O O . HOH L 8 . ? -4.798 -6.978 23.067 1.00 20.13 ? 1297 HOH A O 1 HETATM 4186 O O . HOH L 8 . ? 30.609 -20.360 8.302 0.69 29.27 ? 1298 HOH A O 1 HETATM 4187 O O . HOH L 8 . ? 15.462 2.137 52.331 0.62 37.10 ? 1299 HOH A O 1 HETATM 4188 O O . HOH L 8 . ? 4.624 11.299 -0.226 0.76 35.79 ? 1300 HOH A O 1 HETATM 4189 O O . HOH L 8 . ? 7.625 -0.356 49.355 1.00 31.26 ? 1301 HOH A O 1 HETATM 4190 O O . HOH L 8 . ? 11.791 -18.123 -0.723 1.00 22.27 ? 1302 HOH A O 1 HETATM 4191 O O A HOH L 8 . ? 27.528 -11.746 44.461 0.57 9.87 ? 1303 HOH A O 1 HETATM 4192 O O B HOH L 8 . ? 26.288 -12.693 45.322 0.43 12.66 ? 1303 HOH A O 1 HETATM 4193 O O A HOH L 8 . ? 19.701 -18.520 33.407 0.65 27.86 ? 1304 HOH A O 1 HETATM 4194 O O B HOH L 8 . ? 18.855 -18.031 31.849 0.35 13.16 ? 1304 HOH A O 1 HETATM 4195 O O . HOH L 8 . ? -4.008 -8.805 27.068 1.00 18.84 ? 1305 HOH A O 1 HETATM 4196 O O . HOH L 8 . ? 23.131 14.251 42.177 1.00 34.56 ? 1306 HOH A O 1 HETATM 4197 O O A HOH L 8 . ? 16.178 -16.288 17.188 0.51 16.78 ? 1307 HOH A O 1 HETATM 4198 O O B HOH L 8 . ? 15.948 -17.854 18.590 0.49 25.47 ? 1307 HOH A O 1 HETATM 4199 O O . HOH L 8 . ? 32.738 5.418 17.955 0.66 26.92 ? 1308 HOH A O 1 HETATM 4200 O O . HOH L 8 . ? -4.218 3.487 42.248 0.83 37.37 ? 1309 HOH A O 1 HETATM 4201 O O . HOH L 8 . ? 5.417 -2.020 -8.905 0.86 39.12 ? 1310 HOH A O 1 HETATM 4202 O O . HOH L 8 . ? -2.271 9.726 24.316 1.00 22.75 ? 1311 HOH A O 1 HETATM 4203 O O . HOH L 8 . ? 5.521 1.639 -2.389 1.00 45.64 ? 1312 HOH A O 1 HETATM 4204 O O . HOH L 8 . ? 4.943 -23.468 38.733 1.00 28.84 ? 1313 HOH A O 1 HETATM 4205 O O . HOH L 8 . ? 35.486 -18.115 0.000 0.50 47.52 ? 1314 HOH A O 1 HETATM 4206 O O . HOH L 8 . ? 18.317 -18.351 20.103 1.00 36.57 ? 1315 HOH A O 1 HETATM 4207 O O . HOH L 8 . ? 20.762 2.868 -10.503 0.72 25.64 ? 1316 HOH A O 1 HETATM 4208 O O . HOH L 8 . ? 29.631 11.634 3.658 1.00 22.52 ? 1317 HOH A O 1 HETATM 4209 O O . HOH L 8 . ? 2.415 -15.296 7.303 0.80 40.11 ? 1318 HOH A O 1 HETATM 4210 O O . HOH L 8 . ? 33.637 6.570 -1.125 1.00 45.64 ? 1319 HOH A O 1 HETATM 4211 O O . HOH L 8 . ? 21.415 22.881 35.352 1.00 39.98 ? 1320 HOH A O 1 HETATM 4212 O O A HOH L 8 . ? 23.019 -20.090 13.538 0.49 16.52 ? 1321 HOH A O 1 HETATM 4213 O O B HOH L 8 . ? 24.596 -19.086 13.571 0.51 17.83 ? 1321 HOH A O 1 HETATM 4214 O O . HOH L 8 . ? 36.112 -19.802 5.588 0.73 26.49 ? 1322 HOH A O 1 HETATM 4215 O O . HOH L 8 . ? 38.313 -13.172 12.446 0.82 27.87 ? 1323 HOH A O 1 HETATM 4216 O O . HOH L 8 . ? 0.700 -10.187 2.292 0.48 22.37 ? 1324 HOH A O 1 HETATM 4217 O O . HOH L 8 . ? 37.231 -19.166 3.473 0.62 18.70 ? 1325 HOH A O 1 HETATM 4218 O O . HOH L 8 . ? -3.930 16.979 32.421 0.93 36.89 ? 1326 HOH A O 1 HETATM 4219 O O . HOH L 8 . ? 17.955 20.094 23.445 1.00 32.68 ? 1327 HOH A O 1 HETATM 4220 O O . HOH L 8 . ? -3.998 -12.692 24.763 0.86 42.02 ? 1328 HOH A O 1 HETATM 4221 O O . HOH L 8 . ? 16.217 -21.790 25.181 0.72 37.25 ? 1329 HOH A O 1 HETATM 4222 O O . HOH L 8 . ? 29.594 20.703 26.149 0.52 21.25 ? 1330 HOH A O 1 HETATM 4223 O O . HOH L 8 . ? 4.586 0.373 46.170 1.00 26.59 ? 1331 HOH A O 1 HETATM 4224 O O . HOH L 8 . ? 22.596 -17.568 33.235 0.82 38.27 ? 1332 HOH A O 1 HETATM 4225 O O . HOH L 8 . ? -7.867 -2.574 27.091 1.00 25.57 ? 1333 HOH A O 1 HETATM 4226 O O . HOH L 8 . ? 37.463 -9.249 16.311 1.00 48.34 ? 1334 HOH A O 1 HETATM 4227 O O . HOH L 8 . ? 26.151 15.538 11.392 1.00 32.15 ? 1335 HOH A O 1 HETATM 4228 O O . HOH L 8 . ? 1.908 9.651 44.981 1.00 36.13 ? 1336 HOH A O 1 HETATM 4229 O O . HOH L 8 . ? 34.546 -16.530 27.238 1.00 32.50 ? 1337 HOH A O 1 HETATM 4230 O O . HOH L 8 . ? 37.038 -3.022 23.308 1.00 46.88 ? 1338 HOH A O 1 HETATM 4231 O O . HOH L 8 . ? 28.086 -21.815 6.395 1.00 30.39 ? 1339 HOH A O 1 HETATM 4232 O O . HOH L 8 . ? 25.265 11.114 4.179 1.00 12.32 ? 1340 HOH A O 1 HETATM 4233 O O . HOH L 8 . ? -1.681 10.694 43.874 1.00 33.04 ? 1341 HOH A O 1 HETATM 4234 O O A HOH L 8 . ? 30.916 -1.219 -9.768 0.70 29.76 ? 1342 HOH A O 1 HETATM 4235 O O B HOH L 8 . ? 30.556 -2.669 -8.694 0.30 7.74 ? 1342 HOH A O 1 HETATM 4236 O O . HOH L 8 . ? 1.531 -15.477 38.412 0.56 26.77 ? 1343 HOH A O 1 HETATM 4237 O O . HOH L 8 . ? 31.131 22.305 33.840 1.00 40.18 ? 1344 HOH A O 1 HETATM 4238 O O . HOH L 8 . ? 18.073 24.367 27.564 1.00 28.26 ? 1345 HOH A O 1 HETATM 4239 O O . HOH L 8 . ? -11.634 1.229 33.421 0.71 32.98 ? 1346 HOH A O 1 HETATM 4240 O O . HOH L 8 . ? 24.883 8.568 -2.547 1.00 15.65 ? 1347 HOH A O 1 HETATM 4241 O O . HOH L 8 . ? -10.107 3.595 36.838 0.62 27.48 ? 1348 HOH A O 1 HETATM 4242 O O . HOH L 8 . ? -5.559 -7.975 37.902 0.78 29.55 ? 1349 HOH A O 1 HETATM 4243 O O . HOH L 8 . ? 21.552 16.914 39.142 1.00 17.39 ? 1350 HOH A O 1 HETATM 4244 O O . HOH L 8 . ? 18.310 7.243 -6.961 1.00 33.40 ? 1351 HOH A O 1 HETATM 4245 O O . HOH L 8 . ? 1.712 -4.187 51.856 0.60 39.54 ? 1352 HOH A O 1 HETATM 4246 O O . HOH L 8 . ? 33.223 -5.534 8.899 1.00 29.37 ? 1353 HOH A O 1 HETATM 4247 O O . HOH L 8 . ? 4.023 -19.269 8.977 0.60 25.13 ? 1354 HOH A O 1 HETATM 4248 O O . HOH L 8 . ? 21.135 21.836 25.791 1.00 44.55 ? 1355 HOH A O 1 HETATM 4249 O O . HOH L 8 . ? 16.745 24.605 23.757 0.50 19.21 ? 1356 HOH A O 1 HETATM 4250 O O . HOH L 8 . ? 2.356 17.907 30.110 0.60 28.66 ? 1357 HOH A O 1 HETATM 4251 O O . HOH L 8 . ? -4.888 -7.949 29.808 1.00 38.49 ? 1358 HOH A O 1 HETATM 4252 O O . HOH L 8 . ? 3.501 8.753 5.807 1.00 26.11 ? 1359 HOH A O 1 HETATM 4253 O O . HOH L 8 . ? 2.070 -7.088 2.349 1.00 43.01 ? 1360 HOH A O 1 HETATM 4254 O O . HOH L 8 . ? 4.397 8.870 1.314 1.00 38.38 ? 1361 HOH A O 1 HETATM 4255 O O . HOH L 8 . ? 34.049 7.802 24.209 1.00 36.71 ? 1362 HOH A O 1 HETATM 4256 O O . HOH L 8 . ? -7.232 11.789 40.245 1.00 44.72 ? 1363 HOH A O 1 HETATM 4257 O O . HOH L 8 . ? -0.780 -23.333 21.848 1.00 45.15 ? 1364 HOH A O 1 HETATM 4258 O O . HOH L 8 . ? -3.767 -10.985 11.620 1.00 34.47 ? 1365 HOH A O 1 HETATM 4259 O O . HOH L 8 . ? 35.476 4.681 21.096 1.00 25.45 ? 1366 HOH A O 1 HETATM 4260 O O . HOH L 8 . ? -0.562 -24.368 26.064 1.00 30.10 ? 1367 HOH A O 1 HETATM 4261 O O . HOH L 8 . ? 35.839 -3.479 12.380 1.00 32.50 ? 1368 HOH A O 1 HETATM 4262 O O . HOH L 8 . ? -2.992 -5.572 5.432 0.84 30.69 ? 1369 HOH A O 1 HETATM 4263 O O . HOH L 8 . ? -9.528 -12.425 16.523 0.41 13.46 ? 1370 HOH A O 1 HETATM 4264 O O . HOH L 8 . ? -8.252 5.962 27.611 0.47 17.49 ? 1371 HOH A O 1 HETATM 4265 O O . HOH L 8 . ? -6.584 -6.127 28.325 1.00 29.04 ? 1372 HOH A O 1 HETATM 4266 O O . HOH L 8 . ? 3.182 -9.008 0.244 1.00 45.36 ? 1373 HOH A O 1 HETATM 4267 O O . HOH L 8 . ? 0.363 6.416 3.883 0.75 31.35 ? 1374 HOH A O 1 HETATM 4268 O O . HOH L 8 . ? 3.388 1.882 44.129 1.00 26.72 ? 1375 HOH A O 1 HETATM 4269 O O . HOH L 8 . ? 35.396 -5.745 11.040 1.00 32.21 ? 1376 HOH A O 1 HETATM 4270 O O . HOH L 8 . ? 37.556 -7.801 23.335 1.00 33.65 ? 1377 HOH A O 1 HETATM 4271 O O . HOH L 8 . ? 28.412 -1.466 38.693 1.00 41.12 ? 1378 HOH A O 1 HETATM 4272 O O . HOH L 8 . ? 19.642 -11.987 52.290 0.64 22.73 ? 1379 HOH A O 1 HETATM 4273 O O . HOH L 8 . ? 4.681 23.074 14.228 1.00 47.29 ? 1380 HOH A O 1 HETATM 4274 O O A HOH L 8 . ? 32.675 -5.495 -10.350 0.50 21.44 ? 1381 HOH A O 1 HETATM 4275 O O B HOH L 8 . ? 33.238 -4.287 -9.092 0.50 18.42 ? 1381 HOH A O 1 HETATM 4276 O O . HOH L 8 . ? -8.479 -9.157 20.058 0.69 37.47 ? 1382 HOH A O 1 HETATM 4277 O O . HOH L 8 . ? 26.673 13.242 15.283 1.00 19.52 ? 1383 HOH A O 1 HETATM 4278 O O . HOH L 8 . ? 24.312 6.650 -4.369 1.00 20.69 ? 1384 HOH A O 1 HETATM 4279 O O . HOH L 8 . ? -5.684 -9.452 23.709 1.00 30.72 ? 1385 HOH A O 1 HETATM 4280 O O . HOH L 8 . ? 1.708 5.469 43.607 1.00 34.74 ? 1386 HOH A O 1 HETATM 4281 O O . HOH L 8 . ? 35.119 8.343 34.934 1.00 43.58 ? 1387 HOH A O 1 HETATM 4282 O O . HOH L 8 . ? 17.688 -19.256 38.237 1.00 32.99 ? 1388 HOH A O 1 HETATM 4283 O O . HOH L 8 . ? 2.319 -24.770 25.436 1.00 27.99 ? 1389 HOH A O 1 HETATM 4284 O O . HOH L 8 . ? 25.456 10.801 1.678 1.00 16.48 ? 1390 HOH A O 1 HETATM 4285 O O . HOH L 8 . ? 31.500 -19.102 -2.229 0.60 32.40 ? 1391 HOH A O 1 HETATM 4286 O O . HOH L 8 . ? 21.798 -20.126 16.450 0.66 25.82 ? 1392 HOH A O 1 HETATM 4287 O O A HOH L 8 . ? -2.472 -22.261 20.694 0.50 18.06 ? 1393 HOH A O 1 HETATM 4288 O O B HOH L 8 . ? -3.287 -20.527 20.166 0.50 11.03 ? 1393 HOH A O 1 HETATM 4289 O O . HOH L 8 . ? 36.594 4.004 23.594 1.00 26.83 ? 1394 HOH A O 1 HETATM 4290 O O . HOH L 8 . ? 24.657 14.643 14.105 1.00 29.13 ? 1395 HOH A O 1 HETATM 4291 O O . HOH L 8 . ? 38.706 -0.860 20.444 1.00 34.56 ? 1396 HOH A O 1 HETATM 4292 O O . HOH L 8 . ? -9.153 3.455 14.159 0.47 18.68 ? 1397 HOH A O 1 HETATM 4293 O O A HOH L 8 . ? 27.627 9.465 -2.998 0.67 33.42 ? 1398 HOH A O 1 HETATM 4294 O O B HOH L 8 . ? 28.561 10.981 -2.171 0.33 16.54 ? 1398 HOH A O 1 HETATM 4295 O O . HOH L 8 . ? 38.254 0.970 29.596 1.00 39.13 ? 1399 HOH A O 1 HETATM 4296 O O . HOH L 8 . ? -0.529 6.576 42.499 1.00 23.63 ? 1400 HOH A O 1 HETATM 4297 O O . HOH L 8 . ? -7.400 4.058 11.715 0.65 32.95 ? 1401 HOH A O 1 HETATM 4298 O O . HOH L 8 . ? 22.332 -18.377 28.782 0.51 23.10 ? 1402 HOH A O 1 HETATM 4299 O O . HOH L 8 . ? -11.490 0.936 26.748 1.00 50.16 ? 1403 HOH A O 1 HETATM 4300 O O . HOH L 8 . ? 2.694 16.250 32.179 0.86 35.63 ? 1404 HOH A O 1 HETATM 4301 O O . HOH L 8 . ? -7.945 5.691 13.855 0.93 39.22 ? 1405 HOH A O 1 HETATM 4302 O O . HOH L 8 . ? 6.683 27.055 14.185 0.88 34.97 ? 1406 HOH A O 1 HETATM 4303 O O . HOH L 8 . ? 38.433 4.080 27.696 1.00 39.35 ? 1407 HOH A O 1 HETATM 4304 O O . HOH L 8 . ? 32.628 -2.600 -10.900 0.76 38.28 ? 1408 HOH A O 1 HETATM 4305 O O . HOH L 8 . ? 1.981 7.647 1.242 0.58 28.43 ? 1409 HOH A O 1 HETATM 4306 O O . HOH L 8 . ? 20.468 26.279 25.784 1.00 43.52 ? 1410 HOH A O 1 HETATM 4307 O O . HOH L 8 . ? 7.726 32.577 28.984 1.00 44.23 ? 1411 HOH A O 1 HETATM 4308 O O . HOH L 8 . ? 23.080 25.064 32.980 0.85 31.85 ? 1412 HOH A O 1 HETATM 4309 O O . HOH L 8 . ? 29.862 10.749 -3.725 0.52 20.32 ? 1413 HOH A O 1 HETATM 4310 O O . HOH L 8 . ? 27.956 11.262 0.906 1.00 31.24 ? 1414 HOH A O 1 HETATM 4311 O O . HOH L 8 . ? -10.364 4.090 21.851 0.82 40.63 ? 1415 HOH A O 1 HETATM 4312 O O . HOH L 8 . ? -4.474 9.414 42.289 1.00 30.53 ? 1416 HOH A O 1 HETATM 4313 O O . HOH L 8 . ? 28.941 24.094 42.423 0.50 40.28 ? 1417 HOH A O 1 HETATM 4314 O O . HOH L 8 . ? 7.566 -16.483 -0.820 0.45 19.67 ? 1418 HOH A O 1 HETATM 4315 O O . HOH L 8 . ? -13.259 3.327 26.375 0.99 46.75 ? 1419 HOH A O 1 HETATM 4316 O O . HOH L 8 . ? 22.208 22.864 23.345 0.70 38.71 ? 1420 HOH A O 1 # 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 PCA 1 1 1 PCA PCA A . n A 1 2 GLN 2 2 2 GLN GLN A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 THR 5 5 5 THR THR A . n A 1 6 TYR 6 6 6 TYR TYR A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 ALA 8 8 8 ALA ALA A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 THR 10 10 10 THR THR A . n A 1 11 HIS 11 11 11 HIS HIS A . n A 1 12 PRO 12 12 12 PRO PRO A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 SER 15 15 15 SER SER A . n A 1 16 TRP 16 16 16 TRP TRP A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 THR 18 18 18 THR THR A . n A 1 19 CYS 19 19 19 CYS CYS A . n A 1 20 LYS 20 20 20 LYS LYS A . n A 1 21 SER 21 21 21 SER SER A . n A 1 22 GLY 22 22 ? ? ? A . n A 1 23 GLY 23 23 ? ? ? A . n A 1 24 SER 24 24 24 SER SER A . n A 1 25 CYS 25 25 25 CYS CYS A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 THR 27 27 27 THR THR A . n A 1 28 ASN 28 28 28 ASN ASN A . n A 1 29 SER 29 29 29 SER SER A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 ALA 31 31 31 ALA ALA A . n A 1 32 ILE 32 32 32 ILE ILE A . n A 1 33 THR 33 33 33 THR THR A . n A 1 34 LEU 34 34 34 LEU LEU A . n A 1 35 ASP 35 35 35 ASP ASP A . n A 1 36 ALA 36 36 36 ALA ALA A . n A 1 37 ASN 37 37 37 ASN ASN A . n A 1 38 TRP 38 38 38 TRP TRP A . n A 1 39 ARG 39 39 39 ARG ARG A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 HIS 42 42 42 HIS HIS A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 VAL 44 44 44 VAL VAL A . n A 1 45 ASN 45 45 45 ASN ASN A . n A 1 46 THR 46 46 46 THR THR A . n A 1 47 SER 47 47 47 SER SER A . n A 1 48 THR 48 48 48 THR THR A . n A 1 49 ASN 49 49 49 ASN ASN A . n A 1 50 CYS 50 50 50 CYS CYS A . n A 1 51 TYR 51 51 51 TYR TYR A . n A 1 52 THR 52 52 52 THR THR A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 ASN 54 54 54 ASN ASN A . n A 1 55 THR 55 55 55 THR THR A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 ASN 57 57 57 ASN ASN A . n A 1 58 SER 58 58 58 SER SER A . n A 1 59 ALA 59 59 59 ALA ALA A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 CYS 61 61 61 CYS CYS A . n A 1 62 ASP 62 62 62 ASP ASP A . n A 1 63 THR 63 63 63 THR THR A . n A 1 64 ASP 64 64 64 ASP ASP A . n A 1 65 ALA 65 65 65 ALA ALA A . n A 1 66 SER 66 66 66 SER SER A . n A 1 67 CYS 67 67 67 CYS CYS A . n A 1 68 ALA 68 68 68 ALA ALA A . n A 1 69 GLN 69 69 69 GLN GLN A . n A 1 70 ASP 70 70 70 ASP ASP A . n A 1 71 CYS 71 71 71 CYS CYS A . n A 1 72 ALA 72 72 72 ALA ALA A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 ASP 74 74 74 ASP ASP A . n A 1 75 GLY 75 75 75 GLY GLY A . n A 1 76 ALA 76 76 76 ALA ALA A . n A 1 77 ASP 77 77 77 ASP ASP A . n A 1 78 TYR 78 78 78 TYR TYR A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 GLY 80 80 80 GLY GLY A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 TYR 82 82 82 TYR TYR A . n A 1 83 GLY 83 83 83 GLY GLY A . n A 1 84 ILE 84 84 84 ILE ILE A . n A 1 85 THR 85 85 85 THR THR A . n A 1 86 THR 86 86 86 THR THR A . n A 1 87 SER 87 87 87 SER SER A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 SER 90 90 90 SER SER A . n A 1 91 LEU 91 91 91 LEU LEU A . n A 1 92 ARG 92 92 92 ARG ARG A . n A 1 93 LEU 93 93 93 LEU LEU A . n A 1 94 ASN 94 94 94 ASN ASN A . n A 1 95 PHE 95 95 95 PHE PHE A . n A 1 96 VAL 96 96 96 VAL VAL A . n A 1 97 THR 97 97 97 THR THR A . n A 1 98 GLY 98 98 98 GLY GLY A . n A 1 99 SER 99 99 99 SER SER A . n A 1 100 ASN 100 100 100 ASN ASN A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 GLY 102 102 102 GLY GLY A . n A 1 103 SER 103 103 103 SER SER A . n A 1 104 ARG 104 104 104 ARG ARG A . n A 1 105 THR 105 105 105 THR THR A . n A 1 106 TYR 106 106 106 TYR TYR A . n A 1 107 LEU 107 107 107 LEU LEU A . n A 1 108 MET 108 108 108 MET MET A . n A 1 109 ALA 109 109 109 ALA ALA A . n A 1 110 ASP 110 110 110 ASP ASP A . n A 1 111 ASN 111 111 111 ASN ASN A . n A 1 112 THR 112 112 112 THR THR A . n A 1 113 HIS 113 113 113 HIS HIS A . n A 1 114 TYR 114 114 114 TYR TYR A . n A 1 115 GLN 115 115 115 GLN GLN A . n A 1 116 ILE 116 116 116 ILE ILE A . n A 1 117 PHE 117 117 117 PHE PHE A . n A 1 118 ASP 118 118 118 ASP ASP A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 LEU 120 120 120 LEU LEU A . n A 1 121 ASN 121 121 121 ASN ASN A . n A 1 122 GLN 122 122 122 GLN GLN A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 PHE 124 124 124 PHE PHE A . n A 1 125 THR 125 125 125 THR THR A . n A 1 126 PHE 126 126 126 PHE PHE A . n A 1 127 THR 127 127 127 THR THR A . n A 1 128 VAL 128 128 128 VAL VAL A . n A 1 129 ASP 129 129 129 ASP ASP A . n A 1 130 VAL 130 130 130 VAL VAL A . n A 1 131 SER 131 131 131 SER SER A . n A 1 132 HIS 132 132 132 HIS HIS A . n A 1 133 LEU 133 133 133 LEU LEU A . n A 1 134 PRO 134 134 134 PRO PRO A . n A 1 135 CYS 135 135 135 CYS CYS A . n A 1 136 GLY 136 136 136 GLY GLY A . n A 1 137 LEU 137 137 137 LEU LEU A . n A 1 138 ASN 138 138 138 ASN ASN A . n A 1 139 GLY 139 139 139 GLY GLY A . n A 1 140 ALA 140 140 140 ALA ALA A . n A 1 141 LEU 141 141 141 LEU LEU A . n A 1 142 TYR 142 142 142 TYR TYR A . n A 1 143 PHE 143 143 143 PHE PHE A . n A 1 144 VAL 144 144 144 VAL VAL A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 MET 146 146 146 MET MET A . n A 1 147 ASP 147 147 147 ASP ASP A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 ASP 149 149 149 ASP ASP A . n A 1 150 GLY 150 150 150 GLY GLY A . n A 1 151 GLY 151 151 151 GLY GLY A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 SER 153 153 153 SER SER A . n A 1 154 LYS 154 154 154 LYS LYS A . n A 1 155 TYR 155 155 155 TYR TYR A . n A 1 156 PRO 156 156 156 PRO PRO A . n A 1 157 ASN 157 157 157 ASN ASN A . n A 1 158 ASN 158 158 158 ASN ASN A . n A 1 159 LYS 159 159 159 LYS LYS A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 GLY 161 161 161 GLY GLY A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 GLN 163 163 163 GLN GLN A . n A 1 164 TYR 164 164 164 TYR TYR A . n A 1 165 GLY 165 165 165 GLY GLY A . n A 1 166 VAL 166 166 166 VAL VAL A . n A 1 167 GLY 167 167 167 GLY GLY A . n A 1 168 TYR 168 168 168 TYR TYR A . n A 1 169 CYS 169 169 169 CYS CYS A . n A 1 170 ASP 170 170 170 ASP ASP A . n A 1 171 SER 171 171 171 SER SER A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 CYS 173 173 173 CYS CYS A . n A 1 174 PRO 174 174 174 PRO PRO A . n A 1 175 ARG 175 175 175 ARG ARG A . n A 1 176 ASP 176 176 176 ASP ASP A . n A 1 177 LEU 177 177 177 LEU LEU A . n A 1 178 LYS 178 178 178 LYS LYS A . n A 1 179 PHE 179 179 179 PHE PHE A . n A 1 180 ILE 180 180 180 ILE ILE A . n A 1 181 ALA 181 181 181 ALA ALA A . n A 1 182 GLY 182 182 182 GLY GLY A . n A 1 183 GLN 183 183 183 GLN GLN A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 ASN 185 185 185 ASN ASN A . n A 1 186 VAL 186 186 186 VAL VAL A . n A 1 187 GLU 187 187 187 GLU GLU A . n A 1 188 GLY 188 188 188 GLY GLY A . n A 1 189 TRP 189 189 189 TRP TRP A . n A 1 190 THR 190 190 190 THR THR A . n A 1 191 PRO 191 191 191 PRO PRO A . n A 1 192 SER 192 192 192 SER SER A . n A 1 193 ALA 193 193 193 ALA ALA A . n A 1 194 ASN 194 194 194 ASN ASN A . n A 1 195 ASN 195 195 195 ASN ASN A . n A 1 196 ALA 196 196 196 ALA ALA A . n A 1 197 ASN 197 197 197 ASN ASN A . n A 1 198 THR 198 198 198 THR THR A . n A 1 199 GLY 199 199 199 GLY GLY A . n A 1 200 ILE 200 200 200 ILE ILE A . n A 1 201 GLY 201 201 201 GLY GLY A . n A 1 202 ASN 202 202 202 ASN ASN A . n A 1 203 HIS 203 203 203 HIS HIS A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 ALA 205 205 205 ALA ALA A . n A 1 206 CYS 206 206 206 CYS CYS A . n A 1 207 CYS 207 207 207 CYS CYS A . n A 1 208 ALA 208 208 208 ALA ALA A . n A 1 209 GLU 209 209 209 GLU GLU A . n A 1 210 LEU 210 210 210 LEU LEU A . n A 1 211 ASP 211 211 211 ASP ASP A . n A 1 212 ILE 212 212 212 ILE ILE A . n A 1 213 TRP 213 213 213 TRP TRP A . n A 1 214 GLU 214 214 214 GLU GLU A . n A 1 215 ALA 215 215 215 ALA ALA A . n A 1 216 ASN 216 216 216 ASN ASN A . n A 1 217 SER 217 217 217 SER SER A . n A 1 218 ILE 218 218 218 ILE ILE A . n A 1 219 SER 219 219 219 SER SER A . n A 1 220 GLU 220 220 220 GLU GLU A . n A 1 221 ALA 221 221 221 ALA ALA A . n A 1 222 LEU 222 222 222 LEU LEU A . n A 1 223 THR 223 223 223 THR THR A . n A 1 224 PRO 224 224 224 PRO PRO A . n A 1 225 HIS 225 225 225 HIS HIS A . n A 1 226 PRO 226 226 226 PRO PRO A . n A 1 227 CYS 227 227 227 CYS CYS A . n A 1 228 ASP 228 228 228 ASP ASP A . n A 1 229 THR 229 229 229 THR THR A . n A 1 230 PRO 230 230 230 PRO PRO A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 LEU 232 232 232 LEU LEU A . n A 1 233 SER 233 233 233 SER SER A . n A 1 234 VAL 234 234 234 VAL VAL A . n A 1 235 CYS 235 235 235 CYS CYS A . n A 1 236 THR 236 236 236 THR THR A . n A 1 237 THR 237 237 237 THR THR A . n A 1 238 ASP 238 238 238 ASP ASP A . n A 1 239 ALA 239 239 239 ALA ALA A . n A 1 240 CYS 240 240 240 CYS CYS A . n A 1 241 GLY 241 241 241 GLY GLY A . n A 1 242 GLY 242 242 242 GLY GLY A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 TYR 244 244 244 TYR TYR A . n A 1 245 SER 245 245 245 SER SER A . n A 1 246 SER 246 246 246 SER SER A . n A 1 247 ASP 247 247 247 ASP ASP A . n A 1 248 ARG 248 248 248 ARG ARG A . n A 1 249 TYR 249 249 249 TYR TYR A . n A 1 250 ALA 250 250 250 ALA ALA A . n A 1 251 GLY 251 251 251 GLY GLY A . n A 1 252 THR 252 252 252 THR THR A . n A 1 253 CYS 253 253 253 CYS CYS A . n A 1 254 ASP 254 254 254 ASP ASP A . n A 1 255 PRO 255 255 255 PRO PRO A . n A 1 256 ASP 256 256 256 ASP ASP A . n A 1 257 GLY 257 257 257 GLY GLY A . n A 1 258 CYS 258 258 258 CYS CYS A . n A 1 259 ASP 259 259 259 ASP ASP A . n A 1 260 PHE 260 260 260 PHE PHE A . n A 1 261 ASN 261 261 261 ASN ASN A . n A 1 262 PRO 262 262 262 PRO PRO A . n A 1 263 TYR 263 263 263 TYR TYR A . n A 1 264 ARG 264 264 264 ARG ARG A . n A 1 265 LEU 265 265 265 LEU LEU A . n A 1 266 GLY 266 266 266 GLY GLY A . n A 1 267 VAL 267 267 267 VAL VAL A . n A 1 268 THR 268 268 268 THR THR A . n A 1 269 ASP 269 269 269 ASP ASP A . n A 1 270 PHE 270 270 270 PHE PHE A . n A 1 271 TYR 271 271 271 TYR TYR A . n A 1 272 GLY 272 272 272 GLY GLY A . n A 1 273 SER 273 273 273 SER SER A . n A 1 274 GLY 274 274 274 GLY GLY A . n A 1 275 LYS 275 275 275 LYS LYS A . n A 1 276 THR 276 276 276 THR THR A . n A 1 277 VAL 277 277 277 VAL VAL A . n A 1 278 ASP 278 278 278 ASP ASP A . n A 1 279 THR 279 279 279 THR THR A . n A 1 280 THR 280 280 280 THR THR A . n A 1 281 LYS 281 281 281 LYS LYS A . n A 1 282 PRO 282 282 282 PRO PRO A . n A 1 283 PHE 283 283 283 PHE PHE A . n A 1 284 THR 284 284 284 THR THR A . n A 1 285 VAL 285 285 285 VAL VAL A . n A 1 286 VAL 286 286 286 VAL VAL A . n A 1 287 THR 287 287 287 THR THR A . n A 1 288 GLN 288 288 288 GLN GLN A . n A 1 289 PHE 289 289 289 PHE PHE A . n A 1 290 VAL 290 290 290 VAL VAL A . n A 1 291 THR 291 291 291 THR THR A . n A 1 292 ASN 292 292 292 ASN ASN A . n A 1 293 ASP 293 293 293 ASP ASP A . n A 1 294 GLY 294 294 294 GLY GLY A . n A 1 295 THR 295 295 295 THR THR A . n A 1 296 SER 296 296 296 SER SER A . n A 1 297 THR 297 297 297 THR THR A . n A 1 298 GLY 298 298 298 GLY GLY A . n A 1 299 SER 299 299 299 SER SER A . n A 1 300 LEU 300 300 300 LEU LEU A . n A 1 301 SER 301 301 301 SER SER A . n A 1 302 GLU 302 302 302 GLU GLU A . n A 1 303 ILE 303 303 303 ILE ILE A . n A 1 304 ARG 304 304 304 ARG ARG A . n A 1 305 ARG 305 305 305 ARG ARG A . n A 1 306 TYR 306 306 306 TYR TYR A . n A 1 307 TYR 307 307 307 TYR TYR A . n A 1 308 VAL 308 308 308 VAL VAL A . n A 1 309 GLN 309 309 309 GLN GLN A . n A 1 310 ASN 310 310 310 ASN ASN A . n A 1 311 GLY 311 311 311 GLY GLY A . n A 1 312 VAL 312 312 312 VAL VAL A . n A 1 313 VAL 313 313 313 VAL VAL A . n A 1 314 ILE 314 314 314 ILE ILE A . n A 1 315 PRO 315 315 315 PRO PRO A . n A 1 316 GLN 316 316 316 GLN GLN A . n A 1 317 PRO 317 317 317 PRO PRO A . n A 1 318 SER 318 318 318 SER SER A . n A 1 319 SER 319 319 319 SER SER A . n A 1 320 LYS 320 320 320 LYS LYS A . n A 1 321 ILE 321 321 321 ILE ILE A . n A 1 322 SER 322 322 322 SER SER A . n A 1 323 GLY 323 323 323 GLY GLY A . n A 1 324 ILE 324 324 324 ILE ILE A . n A 1 325 SER 325 325 325 SER SER A . n A 1 326 GLY 326 326 326 GLY GLY A . n A 1 327 ASN 327 327 327 ASN ASN A . n A 1 328 VAL 328 328 328 VAL VAL A . n A 1 329 ILE 329 329 329 ILE ILE A . n A 1 330 ASN 330 330 330 ASN ASN A . n A 1 331 SER 331 331 331 SER SER A . n A 1 332 ASP 332 332 332 ASP ASP A . n A 1 333 TYR 333 333 333 TYR TYR A . n A 1 334 CYS 334 334 334 CYS CYS A . n A 1 335 ALA 335 335 335 ALA ALA A . n A 1 336 ALA 336 336 336 ALA ALA A . n A 1 337 GLU 337 337 337 GLU GLU A . n A 1 338 ILE 338 338 338 ILE ILE A . n A 1 339 SER 339 339 339 SER SER A . n A 1 340 THR 340 340 340 THR THR A . n A 1 341 PHE 341 341 341 PHE PHE A . n A 1 342 GLY 342 342 342 GLY GLY A . n A 1 343 GLY 343 343 343 GLY GLY A . n A 1 344 THR 344 344 344 THR THR A . n A 1 345 ALA 345 345 345 ALA ALA A . n A 1 346 SER 346 346 346 SER SER A . n A 1 347 PHE 347 347 347 PHE PHE A . n A 1 348 SER 348 348 348 SER SER A . n A 1 349 LYS 349 349 349 LYS LYS A . n A 1 350 HIS 350 350 350 HIS HIS A . n A 1 351 GLY 351 351 351 GLY GLY A . n A 1 352 GLY 352 352 352 GLY GLY A . n A 1 353 LEU 353 353 353 LEU LEU A . n A 1 354 THR 354 354 354 THR THR A . n A 1 355 ASN 355 355 355 ASN ASN A . n A 1 356 MET 356 356 356 MET MET A . n A 1 357 ALA 357 357 357 ALA ALA A . n A 1 358 ALA 358 358 358 ALA ALA A . n A 1 359 GLY 359 359 359 GLY GLY A . n A 1 360 MET 360 360 360 MET MET A . n A 1 361 GLU 361 361 361 GLU GLU A . n A 1 362 ALA 362 362 362 ALA ALA A . n A 1 363 GLY 363 363 363 GLY GLY A . n A 1 364 MET 364 364 364 MET MET A . n A 1 365 VAL 365 365 365 VAL VAL A . n A 1 366 LEU 366 366 366 LEU LEU A . n A 1 367 VAL 367 367 367 VAL VAL A . n A 1 368 MET 368 368 368 MET MET A . n A 1 369 SER 369 369 369 SER SER A . n A 1 370 LEU 370 370 370 LEU LEU A . n A 1 371 TRP 371 371 371 TRP TRP A . n A 1 372 ASP 372 372 372 ASP ASP A . n A 1 373 ASP 373 373 373 ASP ASP A . n A 1 374 TYR 374 374 374 TYR TYR A . n A 1 375 ALA 375 375 375 ALA ALA A . n A 1 376 VAL 376 376 376 VAL VAL A . n A 1 377 ASN 377 377 377 ASN ASN A . n A 1 378 MET 378 378 378 MET MET A . n A 1 379 LEU 379 379 379 LEU LEU A . n A 1 380 TRP 380 380 380 TRP TRP A . n A 1 381 LEU 381 381 381 LEU LEU A . n A 1 382 ASP 382 382 382 ASP ASP A . n A 1 383 SER 383 383 383 SER SER A . n A 1 384 THR 384 384 384 THR THR A . n A 1 385 TYR 385 385 385 TYR TYR A . n A 1 386 PRO 386 386 386 PRO PRO A . n A 1 387 THR 387 387 387 THR THR A . n A 1 388 ASN 388 388 388 ASN ASN A . n A 1 389 ALA 389 389 389 ALA ALA A . n A 1 390 THR 390 390 390 THR THR A . n A 1 391 GLY 391 391 391 GLY GLY A . n A 1 392 THR 392 392 392 THR THR A . n A 1 393 PRO 393 393 393 PRO PRO A . n A 1 394 GLY 394 394 394 GLY GLY A . n A 1 395 ALA 395 395 395 ALA ALA A . n A 1 396 ALA 396 396 396 ALA ALA A . n A 1 397 ARG 397 397 397 ARG ARG A . n A 1 398 GLY 398 398 398 GLY GLY A . n A 1 399 THR 399 399 399 THR THR A . n A 1 400 CYS 400 400 400 CYS CYS A . n A 1 401 ALA 401 401 401 ALA ALA A . n A 1 402 THR 402 402 402 THR THR A . n A 1 403 THR 403 403 403 THR THR A . n A 1 404 SER 404 404 404 SER SER A . n A 1 405 GLY 405 405 405 GLY GLY A . n A 1 406 ASP 406 406 406 ASP ASP A . n A 1 407 PRO 407 407 407 PRO PRO A . n A 1 408 LYS 408 408 408 LYS LYS A . n A 1 409 THR 409 409 409 THR THR A . n A 1 410 VAL 410 410 410 VAL VAL A . n A 1 411 GLU 411 411 411 GLU GLU A . n A 1 412 SER 412 412 412 SER SER A . n A 1 413 GLN 413 413 413 GLN GLN A . n A 1 414 SER 414 414 414 SER SER A . n A 1 415 GLY 415 415 415 GLY GLY A . n A 1 416 SER 416 416 416 SER SER A . n A 1 417 SER 417 417 417 SER SER A . n A 1 418 TYR 418 418 418 TYR TYR A . n A 1 419 VAL 419 419 419 VAL VAL A . n A 1 420 THR 420 420 420 THR THR A . n A 1 421 PHE 421 421 421 PHE PHE A . n A 1 422 SER 422 422 422 SER SER A . n A 1 423 ASP 423 423 423 ASP ASP A . n A 1 424 ILE 424 424 424 ILE ILE A . n A 1 425 ARG 425 425 425 ARG ARG A . n A 1 426 VAL 426 426 426 VAL VAL A . n A 1 427 GLY 427 427 427 GLY GLY A . n A 1 428 PRO 428 428 428 PRO PRO A . n A 1 429 PHE 429 429 429 PHE PHE A . n A 1 430 ASN 430 430 430 ASN ASN A . n A 1 431 SER 431 431 431 SER SER A . n A 1 432 THR 432 432 432 THR THR A . n A 1 433 PHE 433 433 ? ? ? A . n A 1 434 SER 434 434 ? ? ? A . n A 1 435 GLY 435 435 ? ? ? A . n A 1 436 GLY 436 436 ? ? ? A . 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 B 2 NAG 1 501 1 NAG NAG A . C 2 NAG 1 502 2 NAG NAG A . D 2 NAG 1 503 3 NAG NAG A . E 3 CBI 1 504 1 CBI CBI A . F 4 CE6 1 505 1 CE6 CE6 A . G 5 K 1 506 1 K K A . H 5 K 1 507 2 K K A . I 5 K 1 508 3 K K A . J 6 NA 1 509 1 NA NA A . K 7 CL 1 510 1 CL CL A . L 8 HOH 1 601 896 HOH HOH A . L 8 HOH 2 602 839 HOH HOH A . L 8 HOH 3 603 429 HOH HOH A . L 8 HOH 4 604 579 HOH HOH A . L 8 HOH 5 605 890 HOH HOH A . L 8 HOH 6 606 458 HOH HOH A . L 8 HOH 7 607 863 HOH HOH A . L 8 HOH 8 608 807 HOH HOH A . L 8 HOH 9 609 893 HOH HOH A . L 8 HOH 10 610 788 HOH HOH A . L 8 HOH 11 611 802 HOH HOH A . L 8 HOH 12 612 480 HOH HOH A . L 8 HOH 13 613 730 HOH HOH A . L 8 HOH 14 614 538 HOH HOH A . L 8 HOH 15 615 448 HOH HOH A . L 8 HOH 16 616 187 HOH HOH A . L 8 HOH 17 617 595 HOH HOH A . L 8 HOH 18 618 632 HOH HOH A . L 8 HOH 19 619 778 HOH HOH A . L 8 HOH 20 620 343 HOH HOH A . L 8 HOH 21 621 686 HOH HOH A . L 8 HOH 22 622 252 HOH HOH A . L 8 HOH 23 623 739 HOH HOH A . L 8 HOH 24 624 515 HOH HOH A . L 8 HOH 25 625 244 HOH HOH A . L 8 HOH 26 626 358 HOH HOH A . L 8 HOH 27 627 351 HOH HOH A . L 8 HOH 28 628 705 HOH HOH A . L 8 HOH 29 629 697 HOH HOH A . L 8 HOH 30 630 374 HOH HOH A . L 8 HOH 31 631 862 HOH HOH A . L 8 HOH 32 632 404 HOH HOH A . L 8 HOH 33 633 406 HOH HOH A . L 8 HOH 34 634 405 HOH HOH A . L 8 HOH 35 635 633 HOH HOH A . L 8 HOH 36 636 831 HOH HOH A . L 8 HOH 37 637 416 HOH HOH A . L 8 HOH 38 638 621 HOH HOH A . L 8 HOH 39 639 222 HOH HOH A . L 8 HOH 40 640 606 HOH HOH A . L 8 HOH 41 641 295 HOH HOH A . L 8 HOH 42 642 163 HOH HOH A . L 8 HOH 43 643 791 HOH HOH A . L 8 HOH 44 644 542 HOH HOH A . L 8 HOH 45 645 64 HOH HOH A . L 8 HOH 46 646 628 HOH HOH A . L 8 HOH 47 647 609 HOH HOH A . L 8 HOH 48 648 409 HOH HOH A . L 8 HOH 49 649 246 HOH HOH A . L 8 HOH 50 650 716 HOH HOH A . L 8 HOH 51 651 726 HOH HOH A . L 8 HOH 52 652 153 HOH HOH A . L 8 HOH 53 653 183 HOH HOH A . L 8 HOH 54 654 364 HOH HOH A . L 8 HOH 55 655 499 HOH HOH A . L 8 HOH 56 656 118 HOH HOH A . L 8 HOH 57 657 128 HOH HOH A . L 8 HOH 58 658 272 HOH HOH A . L 8 HOH 59 659 718 HOH HOH A . L 8 HOH 60 660 58 HOH HOH A . L 8 HOH 61 661 567 HOH HOH A . L 8 HOH 62 662 684 HOH HOH A . L 8 HOH 63 663 387 HOH HOH A . L 8 HOH 64 664 354 HOH HOH A . L 8 HOH 65 665 350 HOH HOH A . L 8 HOH 66 666 228 HOH HOH A . L 8 HOH 67 667 513 HOH HOH A . L 8 HOH 68 668 229 HOH HOH A . L 8 HOH 69 669 746 HOH HOH A . L 8 HOH 70 670 794 HOH HOH A . L 8 HOH 71 671 815 HOH HOH A . L 8 HOH 72 672 263 HOH HOH A . L 8 HOH 73 673 207 HOH HOH A . L 8 HOH 74 674 598 HOH HOH A . L 8 HOH 75 675 391 HOH HOH A . L 8 HOH 76 676 101 HOH HOH A . L 8 HOH 77 677 586 HOH HOH A . L 8 HOH 78 678 378 HOH HOH A . L 8 HOH 79 679 727 HOH HOH A . L 8 HOH 80 680 597 HOH HOH A . L 8 HOH 81 681 624 HOH HOH A . L 8 HOH 82 682 208 HOH HOH A . L 8 HOH 83 683 154 HOH HOH A . L 8 HOH 84 684 9 HOH HOH A . L 8 HOH 85 685 511 HOH HOH A . L 8 HOH 86 686 231 HOH HOH A . L 8 HOH 87 687 738 HOH HOH A . L 8 HOH 88 688 426 HOH HOH A . L 8 HOH 89 689 663 HOH HOH A . L 8 HOH 90 690 333 HOH HOH A . L 8 HOH 91 691 44 HOH HOH A . L 8 HOH 92 692 368 HOH HOH A . L 8 HOH 93 693 74 HOH HOH A . L 8 HOH 94 694 245 HOH HOH A . L 8 HOH 95 695 4 HOH HOH A . L 8 HOH 96 696 421 HOH HOH A . L 8 HOH 97 697 460 HOH HOH A . L 8 HOH 98 698 346 HOH HOH A . L 8 HOH 99 699 390 HOH HOH A . L 8 HOH 100 700 124 HOH HOH A . L 8 HOH 101 701 14 HOH HOH A . L 8 HOH 102 702 677 HOH HOH A . L 8 HOH 103 703 617 HOH HOH A . L 8 HOH 104 704 303 HOH HOH A . L 8 HOH 105 705 758 HOH HOH A . L 8 HOH 106 706 280 HOH HOH A . L 8 HOH 107 707 67 HOH HOH A . L 8 HOH 108 708 135 HOH HOH A . L 8 HOH 109 709 498 HOH HOH A . L 8 HOH 110 710 206 HOH HOH A . L 8 HOH 111 711 92 HOH HOH A . L 8 HOH 112 712 355 HOH HOH A . L 8 HOH 113 713 476 HOH HOH A . L 8 HOH 114 714 103 HOH HOH A . L 8 HOH 115 715 305 HOH HOH A . L 8 HOH 116 716 602 HOH HOH A . L 8 HOH 117 717 13 HOH HOH A . L 8 HOH 118 718 399 HOH HOH A . L 8 HOH 119 719 477 HOH HOH A . L 8 HOH 120 720 379 HOH HOH A . L 8 HOH 121 721 10 HOH HOH A . L 8 HOH 122 722 604 HOH HOH A . L 8 HOH 123 723 875 HOH HOH A . L 8 HOH 124 724 547 HOH HOH A . L 8 HOH 125 725 77 HOH HOH A . L 8 HOH 126 726 71 HOH HOH A . L 8 HOH 127 727 6 HOH HOH A . L 8 HOH 128 728 107 HOH HOH A . L 8 HOH 129 729 50 HOH HOH A . L 8 HOH 130 730 28 HOH HOH A . L 8 HOH 131 731 892 HOH HOH A . L 8 HOH 132 732 309 HOH HOH A . L 8 HOH 133 733 550 HOH HOH A . L 8 HOH 134 734 104 HOH HOH A . L 8 HOH 135 735 420 HOH HOH A . L 8 HOH 136 736 743 HOH HOH A . L 8 HOH 137 737 121 HOH HOH A . L 8 HOH 138 738 817 HOH HOH A . L 8 HOH 139 739 175 HOH HOH A . L 8 HOH 140 740 451 HOH HOH A . L 8 HOH 141 741 701 HOH HOH A . L 8 HOH 142 742 433 HOH HOH A . L 8 HOH 143 743 111 HOH HOH A . L 8 HOH 144 744 867 HOH HOH A . L 8 HOH 145 745 681 HOH HOH A . L 8 HOH 146 746 667 HOH HOH A . L 8 HOH 147 747 68 HOH HOH A . L 8 HOH 148 748 573 HOH HOH A . L 8 HOH 149 749 149 HOH HOH A . L 8 HOH 150 750 29 HOH HOH A . L 8 HOH 151 751 79 HOH HOH A . L 8 HOH 152 752 270 HOH HOH A . L 8 HOH 153 753 230 HOH HOH A . L 8 HOH 154 754 293 HOH HOH A . L 8 HOH 155 755 191 HOH HOH A . L 8 HOH 156 756 290 HOH HOH A . L 8 HOH 157 757 43 HOH HOH A . L 8 HOH 158 758 22 HOH HOH A . L 8 HOH 159 759 65 HOH HOH A . L 8 HOH 160 760 637 HOH HOH A . L 8 HOH 161 761 798 HOH HOH A . L 8 HOH 162 762 454 HOH HOH A . L 8 HOH 163 763 209 HOH HOH A . L 8 HOH 164 764 679 HOH HOH A . L 8 HOH 165 765 39 HOH HOH A . L 8 HOH 166 766 15 HOH HOH A . L 8 HOH 167 767 785 HOH HOH A . L 8 HOH 168 768 18 HOH HOH A . L 8 HOH 169 769 335 HOH HOH A . L 8 HOH 170 770 353 HOH HOH A . L 8 HOH 171 771 188 HOH HOH A . L 8 HOH 172 772 574 HOH HOH A . L 8 HOH 173 773 462 HOH HOH A . L 8 HOH 174 774 844 HOH HOH A . L 8 HOH 175 775 132 HOH HOH A . L 8 HOH 176 776 83 HOH HOH A . L 8 HOH 177 777 112 HOH HOH A . L 8 HOH 178 778 529 HOH HOH A . L 8 HOH 179 779 657 HOH HOH A . L 8 HOH 180 780 19 HOH HOH A . L 8 HOH 181 781 437 HOH HOH A . L 8 HOH 182 782 484 HOH HOH A . L 8 HOH 183 783 319 HOH HOH A . L 8 HOH 184 784 411 HOH HOH A . L 8 HOH 185 785 608 HOH HOH A . L 8 HOH 186 786 403 HOH HOH A . L 8 HOH 187 787 519 HOH HOH A . L 8 HOH 188 788 257 HOH HOH A . L 8 HOH 189 789 735 HOH HOH A . L 8 HOH 190 790 106 HOH HOH A . L 8 HOH 191 791 204 HOH HOH A . L 8 HOH 192 792 490 HOH HOH A . L 8 HOH 193 793 26 HOH HOH A . L 8 HOH 194 794 599 HOH HOH A . L 8 HOH 195 795 157 HOH HOH A . L 8 HOH 196 796 383 HOH HOH A . L 8 HOH 197 797 669 HOH HOH A . L 8 HOH 198 798 241 HOH HOH A . L 8 HOH 199 799 279 HOH HOH A . L 8 HOH 200 800 392 HOH HOH A . L 8 HOH 201 801 297 HOH HOH A . L 8 HOH 202 802 865 HOH HOH A . L 8 HOH 203 803 744 HOH HOH A . L 8 HOH 204 804 24 HOH HOH A . L 8 HOH 205 805 755 HOH HOH A . L 8 HOH 206 806 247 HOH HOH A . L 8 HOH 207 807 261 HOH HOH A . L 8 HOH 208 808 138 HOH HOH A . L 8 HOH 209 809 160 HOH HOH A . L 8 HOH 210 810 36 HOH HOH A . L 8 HOH 211 811 500 HOH HOH A . L 8 HOH 212 812 119 HOH HOH A . L 8 HOH 213 813 248 HOH HOH A . L 8 HOH 214 814 265 HOH HOH A . L 8 HOH 215 815 678 HOH HOH A . L 8 HOH 216 816 161 HOH HOH A . L 8 HOH 217 817 156 HOH HOH A . L 8 HOH 218 818 397 HOH HOH A . L 8 HOH 219 819 672 HOH HOH A . L 8 HOH 220 820 412 HOH HOH A . L 8 HOH 221 821 449 HOH HOH A . L 8 HOH 222 822 75 HOH HOH A . L 8 HOH 223 823 517 HOH HOH A . L 8 HOH 224 824 216 HOH HOH A . L 8 HOH 225 825 612 HOH HOH A . L 8 HOH 226 826 11 HOH HOH A . L 8 HOH 227 827 508 HOH HOH A . L 8 HOH 228 828 214 HOH HOH A . L 8 HOH 229 829 76 HOH HOH A . L 8 HOH 230 830 114 HOH HOH A . L 8 HOH 231 831 82 HOH HOH A . L 8 HOH 232 832 123 HOH HOH A . L 8 HOH 233 833 218 HOH HOH A . L 8 HOH 234 834 367 HOH HOH A . L 8 HOH 235 835 285 HOH HOH A . L 8 HOH 236 836 195 HOH HOH A . L 8 HOH 237 837 51 HOH HOH A . L 8 HOH 238 838 282 HOH HOH A . L 8 HOH 239 839 267 HOH HOH A . L 8 HOH 240 840 144 HOH HOH A . L 8 HOH 241 841 158 HOH HOH A . L 8 HOH 242 842 345 HOH HOH A . L 8 HOH 243 843 141 HOH HOH A . L 8 HOH 244 844 520 HOH HOH A . L 8 HOH 245 845 768 HOH HOH A . L 8 HOH 246 846 473 HOH HOH A . L 8 HOH 247 847 302 HOH HOH A . L 8 HOH 248 848 184 HOH HOH A . L 8 HOH 249 849 85 HOH HOH A . L 8 HOH 250 850 801 HOH HOH A . L 8 HOH 251 851 38 HOH HOH A . L 8 HOH 252 852 266 HOH HOH A . L 8 HOH 253 853 258 HOH HOH A . L 8 HOH 254 854 401 HOH HOH A . L 8 HOH 255 855 444 HOH HOH A . L 8 HOH 256 856 682 HOH HOH A . L 8 HOH 257 857 219 HOH HOH A . L 8 HOH 258 858 61 HOH HOH A . L 8 HOH 259 859 759 HOH HOH A . L 8 HOH 260 860 147 HOH HOH A . L 8 HOH 261 861 239 HOH HOH A . L 8 HOH 262 862 883 HOH HOH A . L 8 HOH 263 863 233 HOH HOH A . L 8 HOH 264 864 122 HOH HOH A . L 8 HOH 265 865 308 HOH HOH A . L 8 HOH 266 866 561 HOH HOH A . L 8 HOH 267 867 148 HOH HOH A . L 8 HOH 268 868 211 HOH HOH A . L 8 HOH 269 869 189 HOH HOH A . L 8 HOH 270 870 650 HOH HOH A . L 8 HOH 271 871 514 HOH HOH A . L 8 HOH 272 872 102 HOH HOH A . L 8 HOH 273 873 539 HOH HOH A . L 8 HOH 274 874 610 HOH HOH A . L 8 HOH 275 875 398 HOH HOH A . L 8 HOH 276 876 441 HOH HOH A . L 8 HOH 277 877 853 HOH HOH A . L 8 HOH 278 878 625 HOH HOH A . L 8 HOH 279 879 431 HOH HOH A . L 8 HOH 280 880 784 HOH HOH A . L 8 HOH 281 881 619 HOH HOH A . L 8 HOH 282 882 72 HOH HOH A . L 8 HOH 283 883 577 HOH HOH A . L 8 HOH 284 884 42 HOH HOH A . L 8 HOH 285 885 164 HOH HOH A . L 8 HOH 286 886 197 HOH HOH A . L 8 HOH 287 887 86 HOH HOH A . L 8 HOH 288 888 80 HOH HOH A . L 8 HOH 289 889 808 HOH HOH A . L 8 HOH 290 890 140 HOH HOH A . L 8 HOH 291 891 16 HOH HOH A . L 8 HOH 292 892 234 HOH HOH A . L 8 HOH 293 893 502 HOH HOH A . L 8 HOH 294 894 363 HOH HOH A . L 8 HOH 295 895 27 HOH HOH A . L 8 HOH 296 896 310 HOH HOH A . L 8 HOH 297 897 66 HOH HOH A . L 8 HOH 298 898 843 HOH HOH A . L 8 HOH 299 899 631 HOH HOH A . L 8 HOH 300 900 534 HOH HOH A . L 8 HOH 301 901 151 HOH HOH A . L 8 HOH 302 902 95 HOH HOH A . L 8 HOH 303 903 63 HOH HOH A . L 8 HOH 304 904 2 HOH HOH A . L 8 HOH 305 905 907 HOH HOH A . L 8 HOH 306 906 46 HOH HOH A . L 8 HOH 307 907 155 HOH HOH A . L 8 HOH 308 908 526 HOH HOH A . L 8 HOH 309 909 674 HOH HOH A . L 8 HOH 310 910 418 HOH HOH A . L 8 HOH 311 911 210 HOH HOH A . L 8 HOH 312 912 150 HOH HOH A . L 8 HOH 313 913 348 HOH HOH A . L 8 HOH 314 914 301 HOH HOH A . L 8 HOH 315 915 873 HOH HOH A . L 8 HOH 316 916 249 HOH HOH A . L 8 HOH 317 917 190 HOH HOH A . L 8 HOH 318 918 171 HOH HOH A . L 8 HOH 319 919 648 HOH HOH A . L 8 HOH 320 920 393 HOH HOH A . L 8 HOH 321 921 331 HOH HOH A . L 8 HOH 322 922 375 HOH HOH A . L 8 HOH 323 923 7 HOH HOH A . L 8 HOH 324 924 895 HOH HOH A . L 8 HOH 325 925 277 HOH HOH A . L 8 HOH 326 926 21 HOH HOH A . L 8 HOH 327 927 306 HOH HOH A . L 8 HOH 328 928 408 HOH HOH A . L 8 HOH 329 929 177 HOH HOH A . L 8 HOH 330 930 324 HOH HOH A . L 8 HOH 331 931 90 HOH HOH A . L 8 HOH 332 932 8 HOH HOH A . L 8 HOH 333 933 32 HOH HOH A . L 8 HOH 334 934 692 HOH HOH A . L 8 HOH 335 935 342 HOH HOH A . L 8 HOH 336 936 167 HOH HOH A . L 8 HOH 337 937 53 HOH HOH A . L 8 HOH 338 938 395 HOH HOH A . L 8 HOH 339 939 235 HOH HOH A . L 8 HOH 340 940 116 HOH HOH A . L 8 HOH 341 941 311 HOH HOH A . L 8 HOH 342 942 262 HOH HOH A . L 8 HOH 343 943 373 HOH HOH A . L 8 HOH 344 944 366 HOH HOH A . L 8 HOH 345 945 98 HOH HOH A . L 8 HOH 346 946 443 HOH HOH A . L 8 HOH 347 947 424 HOH HOH A . L 8 HOH 348 948 430 HOH HOH A . L 8 HOH 349 949 255 HOH HOH A . L 8 HOH 350 950 888 HOH HOH A . L 8 HOH 351 951 675 HOH HOH A . L 8 HOH 352 952 314 HOH HOH A . L 8 HOH 353 953 756 HOH HOH A . L 8 HOH 354 954 37 HOH HOH A . L 8 HOH 355 955 463 HOH HOH A . L 8 HOH 356 956 69 HOH HOH A . L 8 HOH 357 957 294 HOH HOH A . L 8 HOH 358 958 113 HOH HOH A . L 8 HOH 359 959 635 HOH HOH A . L 8 HOH 360 960 693 HOH HOH A . L 8 HOH 361 961 835 HOH HOH A . L 8 HOH 362 962 776 HOH HOH A . L 8 HOH 363 963 376 HOH HOH A . L 8 HOH 364 964 912 HOH HOH A . L 8 HOH 365 965 845 HOH HOH A . L 8 HOH 366 966 87 HOH HOH A . L 8 HOH 367 967 326 HOH HOH A . L 8 HOH 368 968 915 HOH HOH A . L 8 HOH 369 969 750 HOH HOH A . L 8 HOH 370 970 55 HOH HOH A . L 8 HOH 371 971 465 HOH HOH A . L 8 HOH 372 972 81 HOH HOH A . L 8 HOH 373 973 471 HOH HOH A . L 8 HOH 374 974 440 HOH HOH A . L 8 HOH 375 975 223 HOH HOH A . L 8 HOH 376 976 271 HOH HOH A . L 8 HOH 377 977 833 HOH HOH A . L 8 HOH 378 978 142 HOH HOH A . L 8 HOH 379 979 48 HOH HOH A . L 8 HOH 380 980 97 HOH HOH A . L 8 HOH 381 981 59 HOH HOH A . L 8 HOH 382 982 569 HOH HOH A . L 8 HOH 383 983 325 HOH HOH A . L 8 HOH 384 984 146 HOH HOH A . L 8 HOH 385 985 528 HOH HOH A . L 8 HOH 386 986 656 HOH HOH A . L 8 HOH 387 987 117 HOH HOH A . L 8 HOH 388 988 100 HOH HOH A . L 8 HOH 389 989 687 HOH HOH A . L 8 HOH 390 990 339 HOH HOH A . L 8 HOH 391 991 318 HOH HOH A . L 8 HOH 392 992 700 HOH HOH A . L 8 HOH 393 993 35 HOH HOH A . L 8 HOH 394 994 45 HOH HOH A . L 8 HOH 395 995 772 HOH HOH A . L 8 HOH 396 996 491 HOH HOH A . L 8 HOH 397 997 338 HOH HOH A . L 8 HOH 398 998 3 HOH HOH A . L 8 HOH 399 999 450 HOH HOH A . L 8 HOH 400 1000 400 HOH HOH A . L 8 HOH 401 1001 54 HOH HOH A . L 8 HOH 402 1002 193 HOH HOH A . L 8 HOH 403 1003 874 HOH HOH A . L 8 HOH 404 1004 108 HOH HOH A . L 8 HOH 405 1005 159 HOH HOH A . L 8 HOH 406 1006 793 HOH HOH A . L 8 HOH 407 1007 109 HOH HOH A . L 8 HOH 408 1008 41 HOH HOH A . L 8 HOH 409 1009 91 HOH HOH A . L 8 HOH 410 1010 830 HOH HOH A . L 8 HOH 411 1011 313 HOH HOH A . L 8 HOH 412 1012 415 HOH HOH A . L 8 HOH 413 1013 52 HOH HOH A . L 8 HOH 414 1014 623 HOH HOH A . L 8 HOH 415 1015 811 HOH HOH A . L 8 HOH 416 1016 570 HOH HOH A . L 8 HOH 417 1017 292 HOH HOH A . L 8 HOH 418 1018 93 HOH HOH A . L 8 HOH 419 1019 427 HOH HOH A . L 8 HOH 420 1020 645 HOH HOH A . L 8 HOH 421 1021 428 HOH HOH A . L 8 HOH 422 1022 199 HOH HOH A . L 8 HOH 423 1023 62 HOH HOH A . L 8 HOH 424 1024 296 HOH HOH A . L 8 HOH 425 1025 464 HOH HOH A . L 8 HOH 426 1026 849 HOH HOH A . L 8 HOH 427 1027 307 HOH HOH A . L 8 HOH 428 1028 60 HOH HOH A . L 8 HOH 429 1029 20 HOH HOH A . L 8 HOH 430 1030 34 HOH HOH A . L 8 HOH 431 1031 33 HOH HOH A . L 8 HOH 432 1032 720 HOH HOH A . L 8 HOH 433 1033 315 HOH HOH A . L 8 HOH 434 1034 317 HOH HOH A . L 8 HOH 435 1035 166 HOH HOH A . L 8 HOH 436 1036 254 HOH HOH A . L 8 HOH 437 1037 215 HOH HOH A . L 8 HOH 438 1038 614 HOH HOH A . L 8 HOH 439 1039 638 HOH HOH A . L 8 HOH 440 1040 129 HOH HOH A . L 8 HOH 441 1041 434 HOH HOH A . L 8 HOH 442 1042 174 HOH HOH A . L 8 HOH 443 1043 792 HOH HOH A . L 8 HOH 444 1044 655 HOH HOH A . L 8 HOH 445 1045 137 HOH HOH A . L 8 HOH 446 1046 592 HOH HOH A . L 8 HOH 447 1047 329 HOH HOH A . L 8 HOH 448 1048 78 HOH HOH A . L 8 HOH 449 1049 251 HOH HOH A . L 8 HOH 450 1050 73 HOH HOH A . L 8 HOH 451 1051 212 HOH HOH A . L 8 HOH 452 1052 694 HOH HOH A . L 8 HOH 453 1053 126 HOH HOH A . L 8 HOH 454 1054 385 HOH HOH A . L 8 HOH 455 1055 417 HOH HOH A . L 8 HOH 456 1056 381 HOH HOH A . L 8 HOH 457 1057 56 HOH HOH A . L 8 HOH 458 1058 721 HOH HOH A . L 8 HOH 459 1059 57 HOH HOH A . L 8 HOH 460 1060 201 HOH HOH A . L 8 HOH 461 1061 407 HOH HOH A . L 8 HOH 462 1062 546 HOH HOH A . L 8 HOH 463 1063 336 HOH HOH A . L 8 HOH 464 1064 685 HOH HOH A . L 8 HOH 465 1065 198 HOH HOH A . L 8 HOH 466 1066 748 HOH HOH A . L 8 HOH 467 1067 337 HOH HOH A . L 8 HOH 468 1068 89 HOH HOH A . L 8 HOH 469 1069 587 HOH HOH A . L 8 HOH 470 1070 242 HOH HOH A . L 8 HOH 471 1071 810 HOH HOH A . L 8 HOH 472 1072 565 HOH HOH A . L 8 HOH 473 1073 646 HOH HOH A . L 8 HOH 474 1074 585 HOH HOH A . L 8 HOH 475 1075 25 HOH HOH A . L 8 HOH 476 1076 130 HOH HOH A . L 8 HOH 477 1077 185 HOH HOH A . L 8 HOH 478 1078 452 HOH HOH A . L 8 HOH 479 1079 145 HOH HOH A . L 8 HOH 480 1080 522 HOH HOH A . L 8 HOH 481 1081 289 HOH HOH A . L 8 HOH 482 1082 40 HOH HOH A . L 8 HOH 483 1083 96 HOH HOH A . L 8 HOH 484 1084 284 HOH HOH A . L 8 HOH 485 1085 717 HOH HOH A . L 8 HOH 486 1086 457 HOH HOH A . L 8 HOH 487 1087 1 HOH HOH A . L 8 HOH 488 1088 446 HOH HOH A . L 8 HOH 489 1089 283 HOH HOH A . L 8 HOH 490 1090 394 HOH HOH A . L 8 HOH 491 1091 227 HOH HOH A . L 8 HOH 492 1092 494 HOH HOH A . L 8 HOH 493 1093 469 HOH HOH A . L 8 HOH 494 1094 105 HOH HOH A . L 8 HOH 495 1095 438 HOH HOH A . L 8 HOH 496 1096 537 HOH HOH A . L 8 HOH 497 1097 439 HOH HOH A . L 8 HOH 498 1098 580 HOH HOH A . L 8 HOH 499 1099 259 HOH HOH A . L 8 HOH 500 1100 304 HOH HOH A . L 8 HOH 501 1101 911 HOH HOH A . L 8 HOH 502 1102 541 HOH HOH A . L 8 HOH 503 1103 761 HOH HOH A . L 8 HOH 504 1104 300 HOH HOH A . L 8 HOH 505 1105 362 HOH HOH A . L 8 HOH 506 1106 769 HOH HOH A . L 8 HOH 507 1107 396 HOH HOH A . L 8 HOH 508 1108 110 HOH HOH A . L 8 HOH 509 1109 532 HOH HOH A . L 8 HOH 510 1110 904 HOH HOH A . L 8 HOH 511 1111 493 HOH HOH A . L 8 HOH 512 1112 486 HOH HOH A . L 8 HOH 513 1113 357 HOH HOH A . L 8 HOH 514 1114 217 HOH HOH A . L 8 HOH 515 1115 703 HOH HOH A . L 8 HOH 516 1116 881 HOH HOH A . L 8 HOH 517 1117 221 HOH HOH A . L 8 HOH 518 1118 714 HOH HOH A . L 8 HOH 519 1119 719 HOH HOH A . L 8 HOH 520 1120 766 HOH HOH A . L 8 HOH 521 1121 260 HOH HOH A . L 8 HOH 522 1122 564 HOH HOH A . L 8 HOH 523 1123 414 HOH HOH A . L 8 HOH 524 1124 352 HOH HOH A . L 8 HOH 525 1125 509 HOH HOH A . L 8 HOH 526 1126 423 HOH HOH A . L 8 HOH 527 1127 832 HOH HOH A . L 8 HOH 528 1128 552 HOH HOH A . L 8 HOH 529 1129 205 HOH HOH A . L 8 HOH 530 1130 848 HOH HOH A . L 8 HOH 531 1131 238 HOH HOH A . L 8 HOH 532 1132 470 HOH HOH A . L 8 HOH 533 1133 753 HOH HOH A . L 8 HOH 534 1134 837 HOH HOH A . L 8 HOH 535 1135 825 HOH HOH A . L 8 HOH 536 1136 492 HOH HOH A . L 8 HOH 537 1137 127 HOH HOH A . L 8 HOH 538 1138 536 HOH HOH A . L 8 HOH 539 1139 891 HOH HOH A . L 8 HOH 540 1140 779 HOH HOH A . L 8 HOH 541 1141 549 HOH HOH A . L 8 HOH 542 1142 186 HOH HOH A . L 8 HOH 543 1143 432 HOH HOH A . L 8 HOH 544 1144 388 HOH HOH A . L 8 HOH 545 1145 829 HOH HOH A . L 8 HOH 546 1146 898 HOH HOH A . L 8 HOH 547 1147 220 HOH HOH A . L 8 HOH 548 1148 237 HOH HOH A . L 8 HOH 549 1149 871 HOH HOH A . L 8 HOH 550 1150 780 HOH HOH A . L 8 HOH 551 1151 479 HOH HOH A . L 8 HOH 552 1152 344 HOH HOH A . L 8 HOH 553 1153 642 HOH HOH A . L 8 HOH 554 1154 913 HOH HOH A . L 8 HOH 555 1155 268 HOH HOH A . L 8 HOH 556 1156 553 HOH HOH A . L 8 HOH 557 1157 732 HOH HOH A . L 8 HOH 558 1158 47 HOH HOH A . L 8 HOH 559 1159 168 HOH HOH A . L 8 HOH 560 1160 269 HOH HOH A . L 8 HOH 561 1161 548 HOH HOH A . L 8 HOH 562 1162 771 HOH HOH A . L 8 HOH 563 1163 224 HOH HOH A . L 8 HOH 564 1164 760 HOH HOH A . L 8 HOH 565 1165 370 HOH HOH A . L 8 HOH 566 1166 857 HOH HOH A . L 8 HOH 567 1167 824 HOH HOH A . L 8 HOH 568 1168 203 HOH HOH A . L 8 HOH 569 1169 636 HOH HOH A . L 8 HOH 570 1170 481 HOH HOH A . L 8 HOH 571 1171 349 HOH HOH A . L 8 HOH 572 1172 594 HOH HOH A . L 8 HOH 573 1173 805 HOH HOH A . L 8 HOH 574 1174 665 HOH HOH A . L 8 HOH 575 1175 668 HOH HOH A . L 8 HOH 576 1176 706 HOH HOH A . L 8 HOH 577 1177 887 HOH HOH A . L 8 HOH 578 1178 563 HOH HOH A . L 8 HOH 579 1179 213 HOH HOH A . L 8 HOH 580 1180 754 HOH HOH A . L 8 HOH 581 1181 504 HOH HOH A . L 8 HOH 582 1182 165 HOH HOH A . L 8 HOH 583 1183 512 HOH HOH A . L 8 HOH 584 1184 658 HOH HOH A . L 8 HOH 585 1185 699 HOH HOH A . L 8 HOH 586 1186 419 HOH HOH A . L 8 HOH 587 1187 607 HOH HOH A . L 8 HOH 588 1188 472 HOH HOH A . L 8 HOH 589 1189 629 HOH HOH A . L 8 HOH 590 1190 192 HOH HOH A . L 8 HOH 591 1191 709 HOH HOH A . L 8 HOH 592 1192 591 HOH HOH A . L 8 HOH 593 1193 851 HOH HOH A . L 8 HOH 594 1194 330 HOH HOH A . L 8 HOH 595 1195 495 HOH HOH A . L 8 HOH 596 1196 530 HOH HOH A . L 8 HOH 597 1197 611 HOH HOH A . L 8 HOH 598 1198 371 HOH HOH A . L 8 HOH 599 1199 468 HOH HOH A . L 8 HOH 600 1200 291 HOH HOH A . L 8 HOH 601 1201 321 HOH HOH A . L 8 HOH 602 1202 653 HOH HOH A . L 8 HOH 603 1203 299 HOH HOH A . L 8 HOH 604 1204 695 HOH HOH A . L 8 HOH 605 1205 652 HOH HOH A . L 8 HOH 606 1206 626 HOH HOH A . L 8 HOH 607 1207 445 HOH HOH A . L 8 HOH 608 1208 796 HOH HOH A . L 8 HOH 609 1209 225 HOH HOH A . L 8 HOH 610 1210 814 HOH HOH A . L 8 HOH 611 1211 568 HOH HOH A . L 8 HOH 612 1212 644 HOH HOH A . L 8 HOH 613 1213 666 HOH HOH A . L 8 HOH 614 1214 139 HOH HOH A . L 8 HOH 615 1215 737 HOH HOH A . L 8 HOH 616 1216 797 HOH HOH A . L 8 HOH 617 1217 838 HOH HOH A . L 8 HOH 618 1218 182 HOH HOH A . L 8 HOH 619 1219 422 HOH HOH A . L 8 HOH 620 1220 312 HOH HOH A . L 8 HOH 621 1221 487 HOH HOH A . L 8 HOH 622 1222 856 HOH HOH A . L 8 HOH 623 1223 715 HOH HOH A . L 8 HOH 624 1224 243 HOH HOH A . L 8 HOH 625 1225 722 HOH HOH A . L 8 HOH 626 1226 226 HOH HOH A . L 8 HOH 627 1227 804 HOH HOH A . L 8 HOH 628 1228 456 HOH HOH A . L 8 HOH 629 1229 575 HOH HOH A . L 8 HOH 630 1230 704 HOH HOH A . L 8 HOH 631 1231 485 HOH HOH A . L 8 HOH 632 1232 770 HOH HOH A . L 8 HOH 633 1233 410 HOH HOH A . L 8 HOH 634 1234 540 HOH HOH A . L 8 HOH 635 1235 413 HOH HOH A . L 8 HOH 636 1236 584 HOH HOH A . L 8 HOH 637 1237 618 HOH HOH A . L 8 HOH 638 1238 789 HOH HOH A . L 8 HOH 639 1239 680 HOH HOH A . L 8 HOH 640 1240 202 HOH HOH A . L 8 HOH 641 1241 334 HOH HOH A . L 8 HOH 642 1242 194 HOH HOH A . L 8 HOH 643 1243 510 HOH HOH A . L 8 HOH 644 1244 777 HOH HOH A . L 8 HOH 645 1245 521 HOH HOH A . L 8 HOH 646 1246 731 HOH HOH A . L 8 HOH 647 1247 634 HOH HOH A . L 8 HOH 648 1248 858 HOH HOH A . L 8 HOH 649 1249 386 HOH HOH A . L 8 HOH 650 1250 725 HOH HOH A . L 8 HOH 651 1251 749 HOH HOH A . L 8 HOH 652 1252 365 HOH HOH A . L 8 HOH 653 1253 764 HOH HOH A . L 8 HOH 654 1254 180 HOH HOH A . L 8 HOH 655 1255 841 HOH HOH A . L 8 HOH 656 1256 643 HOH HOH A . L 8 HOH 657 1257 670 HOH HOH A . L 8 HOH 658 1258 505 HOH HOH A . L 8 HOH 659 1259 571 HOH HOH A . L 8 HOH 660 1260 402 HOH HOH A . L 8 HOH 661 1261 436 HOH HOH A . L 8 HOH 662 1262 765 HOH HOH A . L 8 HOH 663 1263 593 HOH HOH A . L 8 HOH 664 1264 897 HOH HOH A . L 8 HOH 665 1265 70 HOH HOH A . L 8 HOH 666 1266 812 HOH HOH A . L 8 HOH 667 1267 286 HOH HOH A . L 8 HOH 668 1268 389 HOH HOH A . L 8 HOH 669 1269 503 HOH HOH A . L 8 HOH 670 1270 854 HOH HOH A . L 8 HOH 671 1271 380 HOH HOH A . L 8 HOH 672 1272 820 HOH HOH A . L 8 HOH 673 1273 281 HOH HOH A . L 8 HOH 674 1274 622 HOH HOH A . L 8 HOH 675 1275 162 HOH HOH A . L 8 HOH 676 1276 382 HOH HOH A . L 8 HOH 677 1277 461 HOH HOH A . L 8 HOH 678 1278 826 HOH HOH A . L 8 HOH 679 1279 133 HOH HOH A . L 8 HOH 680 1280 507 HOH HOH A . L 8 HOH 681 1281 852 HOH HOH A . L 8 HOH 682 1282 369 HOH HOH A . L 8 HOH 683 1283 143 HOH HOH A . L 8 HOH 684 1284 455 HOH HOH A . L 8 HOH 685 1285 822 HOH HOH A . L 8 HOH 686 1286 359 HOH HOH A . L 8 HOH 687 1287 828 HOH HOH A . L 8 HOH 688 1288 322 HOH HOH A . L 8 HOH 689 1289 710 HOH HOH A . L 8 HOH 690 1290 447 HOH HOH A . L 8 HOH 691 1291 578 HOH HOH A . L 8 HOH 692 1292 288 HOH HOH A . L 8 HOH 693 1293 688 HOH HOH A . L 8 HOH 694 1294 178 HOH HOH A . L 8 HOH 695 1295 605 HOH HOH A . L 8 HOH 696 1296 483 HOH HOH A . L 8 HOH 697 1297 170 HOH HOH A . L 8 HOH 698 1298 846 HOH HOH A . L 8 HOH 699 1299 786 HOH HOH A . L 8 HOH 700 1300 866 HOH HOH A . L 8 HOH 701 1301 654 HOH HOH A . L 8 HOH 702 1302 435 HOH HOH A . L 8 HOH 703 1303 707 HOH HOH A . L 8 HOH 704 1304 639 HOH HOH A . L 8 HOH 705 1305 232 HOH HOH A . L 8 HOH 706 1306 649 HOH HOH A . L 8 HOH 707 1307 783 HOH HOH A . L 8 HOH 708 1308 728 HOH HOH A . L 8 HOH 709 1309 850 HOH HOH A . L 8 HOH 710 1310 736 HOH HOH A . L 8 HOH 711 1311 488 HOH HOH A . L 8 HOH 712 1312 356 HOH HOH A . L 8 HOH 713 1313 651 HOH HOH A . L 8 HOH 714 1314 253 HOH HOH A . L 8 HOH 715 1315 316 HOH HOH A . L 8 HOH 716 1316 827 HOH HOH A . L 8 HOH 717 1317 200 HOH HOH A . L 8 HOH 718 1318 859 HOH HOH A . L 8 HOH 719 1319 671 HOH HOH A . L 8 HOH 720 1320 340 HOH HOH A . L 8 HOH 721 1321 664 HOH HOH A . L 8 HOH 722 1322 496 HOH HOH A . L 8 HOH 723 1323 742 HOH HOH A . L 8 HOH 724 1324 860 HOH HOH A . L 8 HOH 725 1325 741 HOH HOH A . L 8 HOH 726 1326 803 HOH HOH A . L 8 HOH 727 1327 332 HOH HOH A . L 8 HOH 728 1328 273 HOH HOH A . L 8 HOH 729 1329 773 HOH HOH A . L 8 HOH 730 1330 620 HOH HOH A . L 8 HOH 731 1331 275 HOH HOH A . L 8 HOH 732 1332 640 HOH HOH A . L 8 HOH 733 1333 181 HOH HOH A . L 8 HOH 734 1334 482 HOH HOH A . L 8 HOH 735 1335 327 HOH HOH A . L 8 HOH 736 1336 889 HOH HOH A . L 8 HOH 737 1337 250 HOH HOH A . L 8 HOH 738 1338 691 HOH HOH A . L 8 HOH 739 1339 533 HOH HOH A . L 8 HOH 740 1340 84 HOH HOH A . L 8 HOH 741 1341 583 HOH HOH A . L 8 HOH 742 1342 752 HOH HOH A . L 8 HOH 743 1343 806 HOH HOH A . L 8 HOH 744 1344 466 HOH HOH A . L 8 HOH 745 1345 544 HOH HOH A . L 8 HOH 746 1346 278 HOH HOH A . L 8 HOH 747 1347 361 HOH HOH A . L 8 HOH 748 1348 647 HOH HOH A . L 8 HOH 749 1349 767 HOH HOH A . L 8 HOH 750 1350 560 HOH HOH A . L 8 HOH 751 1351 523 HOH HOH A . L 8 HOH 752 1352 908 HOH HOH A . L 8 HOH 753 1353 566 HOH HOH A . L 8 HOH 754 1354 729 HOH HOH A . L 8 HOH 755 1355 713 HOH HOH A . L 8 HOH 756 1356 543 HOH HOH A . L 8 HOH 757 1357 708 HOH HOH A . L 8 HOH 758 1358 276 HOH HOH A . L 8 HOH 759 1359 453 HOH HOH A . L 8 HOH 760 1360 613 HOH HOH A . L 8 HOH 761 1361 535 HOH HOH A . L 8 HOH 762 1362 600 HOH HOH A . L 8 HOH 763 1363 581 HOH HOH A . L 8 HOH 764 1364 601 HOH HOH A . L 8 HOH 765 1365 809 HOH HOH A . L 8 HOH 766 1366 603 HOH HOH A . L 8 HOH 767 1367 689 HOH HOH A . L 8 HOH 768 1368 425 HOH HOH A . L 8 HOH 769 1369 734 HOH HOH A . L 8 HOH 770 1370 855 HOH HOH A . L 8 HOH 771 1371 702 HOH HOH A . L 8 HOH 772 1372 467 HOH HOH A . L 8 HOH 773 1373 816 HOH HOH A . L 8 HOH 774 1374 572 HOH HOH A . L 8 HOH 775 1375 589 HOH HOH A . L 8 HOH 776 1376 757 HOH HOH A . L 8 HOH 777 1377 747 HOH HOH A . L 8 HOH 778 1378 914 HOH HOH A . L 8 HOH 779 1379 745 HOH HOH A . L 8 HOH 780 1380 818 HOH HOH A . L 8 HOH 781 1381 673 HOH HOH A . L 8 HOH 782 1382 823 HOH HOH A . L 8 HOH 783 1383 596 HOH HOH A . L 8 HOH 784 1384 474 HOH HOH A . L 8 HOH 785 1385 320 HOH HOH A . L 8 HOH 786 1386 588 HOH HOH A . L 8 HOH 787 1387 795 HOH HOH A . L 8 HOH 788 1388 516 HOH HOH A . L 8 HOH 789 1389 384 HOH HOH A . L 8 HOH 790 1390 88 HOH HOH A . L 8 HOH 791 1391 740 HOH HOH A . L 8 HOH 792 1392 834 HOH HOH A . L 8 HOH 793 1393 475 HOH HOH A . L 8 HOH 794 1394 298 HOH HOH A . L 8 HOH 795 1395 328 HOH HOH A . L 8 HOH 796 1396 698 HOH HOH A . L 8 HOH 797 1397 661 HOH HOH A . L 8 HOH 798 1398 360 HOH HOH A . L 8 HOH 799 1399 723 HOH HOH A . L 8 HOH 800 1400 442 HOH HOH A . L 8 HOH 801 1401 659 HOH HOH A . L 8 HOH 802 1402 813 HOH HOH A . L 8 HOH 803 1403 836 HOH HOH A . L 8 HOH 804 1404 627 HOH HOH A . L 8 HOH 805 1405 660 HOH HOH A . L 8 HOH 806 1406 790 HOH HOH A . L 8 HOH 807 1407 690 HOH HOH A . L 8 HOH 808 1408 861 HOH HOH A . L 8 HOH 809 1409 264 HOH HOH A . L 8 HOH 810 1410 545 HOH HOH A . L 8 HOH 811 1411 787 HOH HOH A . L 8 HOH 812 1412 712 HOH HOH A . L 8 HOH 813 1413 847 HOH HOH A . L 8 HOH 814 1414 531 HOH HOH A . L 8 HOH 815 1415 724 HOH HOH A . L 8 HOH 816 1416 582 HOH HOH A . L 8 HOH 817 1417 683 HOH HOH A . L 8 HOH 818 1418 615 HOH HOH A . L 8 HOH 819 1419 800 HOH HOH A . L 8 HOH 820 1420 864 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L # _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_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 614 ? L HOH . 2 1 A HOH 1106 ? L HOH . 3 1 A HOH 1167 ? L HOH . 4 1 A HOH 1264 ? L HOH . 5 1 A HOH 1314 ? L HOH . 6 1 A HOH 1417 ? L HOH . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 OG1 ? A THR 86 ? A THR 86 ? 1_555 71.5 ? 2 O ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1082 ? 1_555 74.0 ? 3 OG1 ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1082 ? 1_555 82.9 ? 4 O ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 983 ? 1_555 151.6 ? 5 OG1 ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 983 ? 1_555 80.0 ? 6 O ? L HOH . ? A HOH 1082 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 983 ? 1_555 103.2 ? 7 O ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1015 ? 1_555 78.1 ? 8 OG1 ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1015 ? 1_555 63.5 ? 9 O ? L HOH . ? A HOH 1082 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1015 ? 1_555 141.8 ? 10 O ? L HOH . ? A HOH 983 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1015 ? 1_555 89.2 ? 11 O ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1195 ? 1_555 80.7 ? 12 OG1 ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1195 ? 1_555 137.4 ? 13 O ? L HOH . ? A HOH 1082 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1195 ? 1_555 119.9 ? 14 O ? L HOH . ? A HOH 983 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1195 ? 1_555 122.4 ? 15 O ? L HOH . ? A HOH 1015 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1195 ? 1_555 79.9 ? 16 O ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1322 ? 3_455 133.4 ? 17 OG1 ? A THR 86 ? A THR 86 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1322 ? 3_455 147.2 ? 18 O ? L HOH . ? A HOH 1082 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1322 ? 3_455 85.2 ? 19 O ? L HOH . ? A HOH 983 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1322 ? 3_455 73.1 ? 20 O ? L HOH . ? A HOH 1015 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1322 ? 3_455 133.0 ? 21 O ? L HOH . ? A HOH 1195 ? 1_555 K ? H K . ? A K 507 ? 1_555 O ? L HOH . ? A HOH 1322 ? 3_455 74.4 ? 22 OD2 ? A ASP 170 ? A ASP 170 ? 1_555 K ? G K . ? A K 506 ? 1_555 OE1 ? A GLU 209 ? A GLU 209 ? 1_555 84.3 ? 23 OD2 ? A ASP 170 ? A ASP 170 ? 1_555 K ? G K . ? A K 506 ? 1_555 OE2 ? A GLU 209 ? A GLU 209 ? 1_555 104.1 ? 24 OE1 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 OE2 ? A GLU 209 ? A GLU 209 ? 1_555 45.4 ? 25 OD2 ? A ASP 170 ? A ASP 170 ? 1_555 K ? G K . ? A K 506 ? 1_555 O1A ? F CE6 . ? A CE6 505 ? 1_555 85.7 ? 26 OE1 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O1A ? F CE6 . ? A CE6 505 ? 1_555 138.1 ? 27 OE2 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O1A ? F CE6 . ? A CE6 505 ? 1_555 98.9 ? 28 OD2 ? A ASP 170 ? A ASP 170 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 1087 ? 1_555 114.9 ? 29 OE1 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 1087 ? 1_555 146.3 ? 30 OE2 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 1087 ? 1_555 139.3 ? 31 O1A ? F CE6 . ? A CE6 505 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 1087 ? 1_555 73.6 ? 32 OD2 ? A ASP 170 ? A ASP 170 ? 1_555 K ? G K . ? A K 506 ? 1_555 O B L HOH . ? A HOH 950 ? 1_555 123.7 ? 33 OE1 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O B L HOH . ? A HOH 950 ? 1_555 101.7 ? 34 OE2 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O B L HOH . ? A HOH 950 ? 1_555 56.7 ? 35 O1A ? F CE6 . ? A CE6 505 ? 1_555 K ? G K . ? A K 506 ? 1_555 O B L HOH . ? A HOH 950 ? 1_555 52.9 ? 36 O ? L HOH . ? A HOH 1087 ? 1_555 K ? G K . ? A K 506 ? 1_555 O B L HOH . ? A HOH 950 ? 1_555 90.5 ? 37 OD2 ? A ASP 170 ? A ASP 170 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 998 ? 1_555 152.9 ? 38 OE1 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 998 ? 1_555 73.8 ? 39 OE2 ? A GLU 209 ? A GLU 209 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 998 ? 1_555 71.6 ? 40 O1A ? F CE6 . ? A CE6 505 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 998 ? 1_555 121.3 ? 41 O ? L HOH . ? A HOH 1087 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 998 ? 1_555 78.6 ? 42 O B L HOH . ? A HOH 950 ? 1_555 K ? G K . ? A K 506 ? 1_555 O ? L HOH . ? A HOH 998 ? 1_555 77.3 ? 43 OG1 ? A THR 344 ? A THR 344 ? 1_555 NA ? J NA . ? A NA 509 ? 1_555 O ? L HOH . ? A HOH 806 ? 1_555 90.3 ? 44 OG1 ? A THR 344 ? A THR 344 ? 1_555 NA ? J NA . ? A NA 509 ? 1_555 OD1 B A ASN 310 ? A ASN 310 ? 1_555 90.2 ? 45 O ? L HOH . ? A HOH 806 ? 1_555 NA ? J NA . ? A NA 509 ? 1_555 OD1 B A ASN 310 ? A ASN 310 ? 1_555 5.1 ? 46 O ? A THR 399 ? A THR 399 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 892 ? 1_555 97.2 ? 47 O ? A THR 399 ? A THR 399 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 955 ? 1_555 74.4 ? 48 O ? L HOH . ? A HOH 892 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 955 ? 1_555 88.9 ? 49 O ? A THR 399 ? A THR 399 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? A THR 297 ? A THR 297 ? 1_555 42.2 ? 50 O ? L HOH . ? A HOH 892 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? A THR 297 ? A THR 297 ? 1_555 86.6 ? 51 O ? L HOH . ? A HOH 955 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? A THR 297 ? A THR 297 ? 1_555 33.2 ? 52 O ? A THR 399 ? A THR 399 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 1208 ? 3_445 95.2 ? 53 O ? L HOH . ? A HOH 892 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 1208 ? 3_445 84.4 ? 54 O ? L HOH . ? A HOH 955 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 1208 ? 3_445 166.8 ? 55 O ? A THR 297 ? A THR 297 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 1208 ? 3_445 134.6 ? 56 O ? A THR 399 ? A THR 399 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 827 ? 3_445 108.0 ? 57 O ? L HOH . ? A HOH 892 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 827 ? 3_445 139.3 ? 58 O ? L HOH . ? A HOH 955 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 827 ? 3_445 68.6 ? 59 O ? A THR 297 ? A THR 297 ? 1_555 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 827 ? 3_445 91.0 ? 60 O ? L HOH . ? A HOH 1208 ? 3_445 K ? I K . ? A K 508 ? 1_555 O ? L HOH . ? A HOH 827 ? 3_445 123.2 ? # 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 2016-06-22 2 'Structure model' 1 1 2017-09-06 3 'Structure model' 1 2 2017-11-22 4 'Structure model' 1 3 2018-05-30 # _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' 'Author supporting evidence' 2 2 'Structure model' 'Derived calculations' 3 3 'Structure model' 'Refinement description' 4 4 'Structure model' 'Data collection' 5 4 'Structure model' 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' pdbx_audit_support 2 2 'Structure model' pdbx_struct_oper_list 3 3 'Structure model' software 4 4 'Structure model' citation 5 4 'Structure model' citation_author # 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 2 'Structure model' '_pdbx_audit_support.funding_organization' 2 2 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' 3 4 'Structure model' '_citation.country' 4 4 'Structure model' '_citation.journal_abbrev' 5 4 'Structure model' '_citation.journal_id_CSD' 6 4 'Structure model' '_citation.journal_id_ISSN' 7 4 'Structure model' '_citation.journal_volume' 8 4 'Structure model' '_citation.page_first' 9 4 'Structure model' '_citation.title' 10 4 'Structure model' '_citation.year' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0073 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? . 2 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 ND2 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 ASN _pdbx_validate_close_contact.auth_seq_id_1 45 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O5 _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 NAG _pdbx_validate_close_contact.auth_seq_id_2 503 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.03 # 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 CB A LEU 222 ? ? CG A LEU 222 ? ? CD2 A LEU 222 ? ? 121.36 111.00 10.36 1.70 N 2 1 CB A ASP 373 ? ? CG A ASP 373 ? ? OD2 A ASP 373 ? ? 112.37 118.30 -5.93 0.90 N 3 1 CB A ASP 423 ? ? CG A ASP 423 ? ? OD1 A ASP 423 ? ? 123.74 118.30 5.44 0.90 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 CYS A 61 ? ? -108.95 62.98 2 1 PHE A 95 ? ? -78.64 -86.30 3 1 ASN A 185 ? ? -90.26 54.41 4 1 THR A 237 ? ? 38.35 -131.06 5 1 SER A 383 ? ? -131.19 -157.96 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 1413 ? 5.84 . 2 1 O ? A HOH 1414 ? 5.90 . 3 1 O ? A HOH 1415 ? 6.29 . 4 1 O ? A HOH 1416 ? 6.34 . 5 1 O ? A HOH 1417 ? 6.47 . 6 1 O ? A HOH 1418 ? 6.56 . 7 1 O ? A HOH 1419 ? 6.67 . 8 1 O ? A HOH 1420 ? 6.73 . # 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 GLY 22 ? A GLY 22 2 1 Y 1 A GLY 23 ? A GLY 23 3 1 Y 1 A PHE 433 ? A PHE 433 4 1 Y 1 A SER 434 ? A SER 434 5 1 Y 1 A GLY 435 ? A GLY 435 6 1 Y 1 A GLY 436 ? A GLY 436 # _pdbx_audit_support.funding_organization 'Department of Energy (United States)' _pdbx_audit_support.country 'United States' _pdbx_audit_support.grant_number DE-AC36-08GO28308 _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 CELLOBIOSE CBI 4 CELLOHEXAOSE CE6 5 'POTASSIUM ION' K 6 'SODIUM ION' NA 7 'CHLORIDE ION' CL 8 water HOH #