data_3EQA # _entry.id 3EQA # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3EQA RCSB RCSB049641 WWPDB D_1000049641 # _pdbx_database_status.entry_id 3EQA _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2008-09-30 _pdbx_database_status.SG_entry N _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Lee, J.' 1 'Paetzel, M.' 2 # _citation.id primary _citation.title 'Structure of the catalytic domain of glucoamylase from Aspergillus niger.' _citation.journal_abbrev 'Acta Crystallogr.,Sect.F' _citation.journal_volume 67 _citation.page_first 188 _citation.page_last 192 _citation.year 2011 _citation.journal_id_ASTM ? _citation.country DK _citation.journal_id_ISSN 1744-3091 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21301084 _citation.pdbx_database_id_DOI 10.1107/S1744309110049390 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Lee, J.' 1 primary 'Paetzel, M.' 2 # _cell.entry_id 3EQA _cell.length_a 57.826 _cell.length_b 73.222 _cell.length_c 106.793 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3EQA _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.Int_Tables_number 19 _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Glucoamylase 50500.828 1 3.2.1.3 ? 'Catalytic domain (residues 25-494)' 'Prepared by subtilisin C-terminal cleavage, complexed with TRIS and Glycerol' 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 13 ? ? ? ? 5 non-polymer syn 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 122.143 1 ? ? ? ? 6 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 7 water nat water 18.015 390 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Glucan 1,4-alpha-glucosidase; 1,4-alpha-D-glucan glucohydrolase' # _entity_name_sys.entity_id 1 _entity_name_sys.name E.C.3.2.1.3 # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVLKTLVDLFRNGDTSLLSTIEN YISAQAIVQGISNPSGDLSSGAGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSTATDIVWPLVR NDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPEILCYLQSFWTGSFILANFDSS RSGKDANTLLGSIHTFDPEAACDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDTYYNGNPWFLC TLAAAEQLYDALYQWDKQGSLEVTDVSLDFFKALYSDAATGTYSSSSSTYSSIVDAVKTFADGFVSIVETHAASNGSMSE QYDKSDGEQLSARDLTWSYAALLTANNRRNSVVPASWGETSASSVPGTCAATSAIGTYSSVTVTSWPSIV ; _entity_poly.pdbx_seq_one_letter_code_can ;ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVLKTLVDLFRNGDTSLLSTIEN YISAQAIVQGISNPSGDLSSGAGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSTATDIVWPLVR NDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPEILCYLQSFWTGSFILANFDSS RSGKDANTLLGSIHTFDPEAACDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDTYYNGNPWFLC TLAAAEQLYDALYQWDKQGSLEVTDVSLDFFKALYSDAATGTYSSSSSTYSSIVDAVKTFADGFVSIVETHAASNGSMSE QYDKSDGEQLSARDLTWSYAALLTANNRRNSVVPASWGETSASSVPGTCAATSAIGTYSSVTVTSWPSIV ; _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 ALA n 1 2 THR n 1 3 LEU n 1 4 ASP n 1 5 SER n 1 6 TRP n 1 7 LEU n 1 8 SER n 1 9 ASN n 1 10 GLU n 1 11 ALA n 1 12 THR n 1 13 VAL n 1 14 ALA n 1 15 ARG n 1 16 THR n 1 17 ALA n 1 18 ILE n 1 19 LEU n 1 20 ASN n 1 21 ASN n 1 22 ILE n 1 23 GLY n 1 24 ALA n 1 25 ASP n 1 26 GLY n 1 27 ALA n 1 28 TRP n 1 29 VAL n 1 30 SER n 1 31 GLY n 1 32 ALA n 1 33 ASP n 1 34 SER n 1 35 GLY n 1 36 ILE n 1 37 VAL n 1 38 VAL n 1 39 ALA n 1 40 SER n 1 41 PRO n 1 42 SER n 1 43 THR n 1 44 ASP n 1 45 ASN n 1 46 PRO n 1 47 ASP n 1 48 TYR n 1 49 PHE n 1 50 TYR n 1 51 THR n 1 52 TRP n 1 53 THR n 1 54 ARG n 1 55 ASP n 1 56 SER n 1 57 GLY n 1 58 LEU n 1 59 VAL n 1 60 LEU n 1 61 LYS n 1 62 THR n 1 63 LEU n 1 64 VAL n 1 65 ASP n 1 66 LEU n 1 67 PHE n 1 68 ARG n 1 69 ASN n 1 70 GLY n 1 71 ASP n 1 72 THR n 1 73 SER n 1 74 LEU n 1 75 LEU n 1 76 SER n 1 77 THR n 1 78 ILE n 1 79 GLU n 1 80 ASN n 1 81 TYR n 1 82 ILE n 1 83 SER n 1 84 ALA n 1 85 GLN n 1 86 ALA n 1 87 ILE n 1 88 VAL n 1 89 GLN n 1 90 GLY n 1 91 ILE n 1 92 SER n 1 93 ASN n 1 94 PRO n 1 95 SER n 1 96 GLY n 1 97 ASP n 1 98 LEU n 1 99 SER n 1 100 SER n 1 101 GLY n 1 102 ALA n 1 103 GLY n 1 104 LEU n 1 105 GLY n 1 106 GLU n 1 107 PRO n 1 108 LYS n 1 109 PHE n 1 110 ASN n 1 111 VAL n 1 112 ASP n 1 113 GLU n 1 114 THR n 1 115 ALA n 1 116 TYR n 1 117 THR n 1 118 GLY n 1 119 SER n 1 120 TRP n 1 121 GLY n 1 122 ARG n 1 123 PRO n 1 124 GLN n 1 125 ARG n 1 126 ASP n 1 127 GLY n 1 128 PRO n 1 129 ALA n 1 130 LEU n 1 131 ARG n 1 132 ALA n 1 133 THR n 1 134 ALA n 1 135 MET n 1 136 ILE n 1 137 GLY n 1 138 PHE n 1 139 GLY n 1 140 GLN n 1 141 TRP n 1 142 LEU n 1 143 LEU n 1 144 ASP n 1 145 ASN n 1 146 GLY n 1 147 TYR n 1 148 THR n 1 149 SER n 1 150 THR n 1 151 ALA n 1 152 THR n 1 153 ASP n 1 154 ILE n 1 155 VAL n 1 156 TRP n 1 157 PRO n 1 158 LEU n 1 159 VAL n 1 160 ARG n 1 161 ASN n 1 162 ASP n 1 163 LEU n 1 164 SER n 1 165 TYR n 1 166 VAL n 1 167 ALA n 1 168 GLN n 1 169 TYR n 1 170 TRP n 1 171 ASN n 1 172 GLN n 1 173 THR n 1 174 GLY n 1 175 TYR n 1 176 ASP n 1 177 LEU n 1 178 TRP n 1 179 GLU n 1 180 GLU n 1 181 VAL n 1 182 ASN n 1 183 GLY n 1 184 SER n 1 185 SER n 1 186 PHE n 1 187 PHE n 1 188 THR n 1 189 ILE n 1 190 ALA n 1 191 VAL n 1 192 GLN n 1 193 HIS n 1 194 ARG n 1 195 ALA n 1 196 LEU n 1 197 VAL n 1 198 GLU n 1 199 GLY n 1 200 SER n 1 201 ALA n 1 202 PHE n 1 203 ALA n 1 204 THR n 1 205 ALA n 1 206 VAL n 1 207 GLY n 1 208 SER n 1 209 SER n 1 210 CYS n 1 211 SER n 1 212 TRP n 1 213 CYS n 1 214 ASP n 1 215 SER n 1 216 GLN n 1 217 ALA n 1 218 PRO n 1 219 GLU n 1 220 ILE n 1 221 LEU n 1 222 CYS n 1 223 TYR n 1 224 LEU n 1 225 GLN n 1 226 SER n 1 227 PHE n 1 228 TRP n 1 229 THR n 1 230 GLY n 1 231 SER n 1 232 PHE n 1 233 ILE n 1 234 LEU n 1 235 ALA n 1 236 ASN n 1 237 PHE n 1 238 ASP n 1 239 SER n 1 240 SER n 1 241 ARG n 1 242 SER n 1 243 GLY n 1 244 LYS n 1 245 ASP n 1 246 ALA n 1 247 ASN n 1 248 THR n 1 249 LEU n 1 250 LEU n 1 251 GLY n 1 252 SER n 1 253 ILE n 1 254 HIS n 1 255 THR n 1 256 PHE n 1 257 ASP n 1 258 PRO n 1 259 GLU n 1 260 ALA n 1 261 ALA n 1 262 CYS n 1 263 ASP n 1 264 ASP n 1 265 SER n 1 266 THR n 1 267 PHE n 1 268 GLN n 1 269 PRO n 1 270 CYS n 1 271 SER n 1 272 PRO n 1 273 ARG n 1 274 ALA n 1 275 LEU n 1 276 ALA n 1 277 ASN n 1 278 HIS n 1 279 LYS n 1 280 GLU n 1 281 VAL n 1 282 VAL n 1 283 ASP n 1 284 SER n 1 285 PHE n 1 286 ARG n 1 287 SER n 1 288 ILE n 1 289 TYR n 1 290 THR n 1 291 LEU n 1 292 ASN n 1 293 ASP n 1 294 GLY n 1 295 LEU n 1 296 SER n 1 297 ASP n 1 298 SER n 1 299 GLU n 1 300 ALA n 1 301 VAL n 1 302 ALA n 1 303 VAL n 1 304 GLY n 1 305 ARG n 1 306 TYR n 1 307 PRO n 1 308 GLU n 1 309 ASP n 1 310 THR n 1 311 TYR n 1 312 TYR n 1 313 ASN n 1 314 GLY n 1 315 ASN n 1 316 PRO n 1 317 TRP n 1 318 PHE n 1 319 LEU n 1 320 CYS n 1 321 THR n 1 322 LEU n 1 323 ALA n 1 324 ALA n 1 325 ALA n 1 326 GLU n 1 327 GLN n 1 328 LEU n 1 329 TYR n 1 330 ASP n 1 331 ALA n 1 332 LEU n 1 333 TYR n 1 334 GLN n 1 335 TRP n 1 336 ASP n 1 337 LYS n 1 338 GLN n 1 339 GLY n 1 340 SER n 1 341 LEU n 1 342 GLU n 1 343 VAL n 1 344 THR n 1 345 ASP n 1 346 VAL n 1 347 SER n 1 348 LEU n 1 349 ASP n 1 350 PHE n 1 351 PHE n 1 352 LYS n 1 353 ALA n 1 354 LEU n 1 355 TYR n 1 356 SER n 1 357 ASP n 1 358 ALA n 1 359 ALA n 1 360 THR n 1 361 GLY n 1 362 THR n 1 363 TYR n 1 364 SER n 1 365 SER n 1 366 SER n 1 367 SER n 1 368 SER n 1 369 THR n 1 370 TYR n 1 371 SER n 1 372 SER n 1 373 ILE n 1 374 VAL n 1 375 ASP n 1 376 ALA n 1 377 VAL n 1 378 LYS n 1 379 THR n 1 380 PHE n 1 381 ALA n 1 382 ASP n 1 383 GLY n 1 384 PHE n 1 385 VAL n 1 386 SER n 1 387 ILE n 1 388 VAL n 1 389 GLU n 1 390 THR n 1 391 HIS n 1 392 ALA n 1 393 ALA n 1 394 SER n 1 395 ASN n 1 396 GLY n 1 397 SER n 1 398 MET n 1 399 SER n 1 400 GLU n 1 401 GLN n 1 402 TYR n 1 403 ASP n 1 404 LYS n 1 405 SER n 1 406 ASP n 1 407 GLY n 1 408 GLU n 1 409 GLN n 1 410 LEU n 1 411 SER n 1 412 ALA n 1 413 ARG n 1 414 ASP n 1 415 LEU n 1 416 THR n 1 417 TRP n 1 418 SER n 1 419 TYR n 1 420 ALA n 1 421 ALA n 1 422 LEU n 1 423 LEU n 1 424 THR n 1 425 ALA n 1 426 ASN n 1 427 ASN n 1 428 ARG n 1 429 ARG n 1 430 ASN n 1 431 SER n 1 432 VAL n 1 433 VAL n 1 434 PRO n 1 435 ALA n 1 436 SER n 1 437 TRP n 1 438 GLY n 1 439 GLU n 1 440 THR n 1 441 SER n 1 442 ALA n 1 443 SER n 1 444 SER n 1 445 VAL n 1 446 PRO n 1 447 GLY n 1 448 THR n 1 449 CYS n 1 450 ALA n 1 451 ALA n 1 452 THR n 1 453 SER n 1 454 ALA n 1 455 ILE n 1 456 GLY n 1 457 THR n 1 458 TYR n 1 459 SER n 1 460 SER n 1 461 VAL n 1 462 THR n 1 463 VAL n 1 464 THR n 1 465 SER n 1 466 TRP n 1 467 PRO n 1 468 SER n 1 469 ILE n 1 470 VAL n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Aspergillus Niger' _entity_src_nat.pdbx_ncbi_taxonomy_id 5061 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details 'gene GLAA' # _struct_ref.id 1 _struct_ref.entity_id 1 _struct_ref.db_name UNP _struct_ref.db_code AMYG_ASPNG _struct_ref.pdbx_db_accession P69328 _struct_ref.pdbx_align_begin 25 _struct_ref.pdbx_seq_one_letter_code ;ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVLKTLVDLFRNGDTSLLSTIEN YISAQAIVQGISNPSGDLSSGAGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSTATDIVWPLVR NDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPEILCYLQSFWTGSFILANFDSS RSGKDANTLLGSIHTFDPEAACDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDTYYNGNPWFLC TLAAAEQLYDALYQWDKQGSLEVTDVSLDFFKALYSDAATGTYSSSSSTYSSIVDAVKTFADGFVSIVETHAASNGSMSE QYDKSDGEQLSARDLTWSYAALLTANNRRNSVVPASWGETSASSVPGTCAATSAIGTYSSVTVTSWPSIV ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3EQA _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 470 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P69328 _struct_ref_seq.db_align_beg 25 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 494 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 25 _struct_ref_seq.pdbx_auth_seq_align_end 494 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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 TRS non-polymer . 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 'TRIS BUFFER' 'C4 H12 N O3 1' 122.143 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.entry_id 3EQA _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.24 _exptl_crystal.density_percent_sol 45.05 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_details '50 mM Tris-acetate (pH 8.5), 22.5 % PEG 6000, 0.4 M sodium acetate, 10 % glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range . _exptl_crystal_grow.temp_details ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2005-08-28 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Double crystal, Si(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 8.2.2' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 8.2.2 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.0 # _reflns.entry_id 3EQA _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.0 _reflns.d_resolution_high 1.90 _reflns.number_obs 35298 _reflns.number_all ? _reflns.percent_possible_obs 96.5 _reflns.pdbx_Rmerge_I_obs 0.076 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 21.9 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.4 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.90 _reflns_shell.d_res_low 1.97 _reflns_shell.percent_possible_all 71.6 _reflns_shell.Rmerge_I_obs 0.292 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.pdbx_redundancy 2.1 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 2559 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3EQA _refine.ls_number_reflns_obs 33439 _refine.ls_number_reflns_all 33439 _refine.pdbx_ls_sigma_I 0.0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.0 _refine.ls_d_res_high 1.90 _refine.ls_percent_reflns_obs 96.54 _refine.ls_R_factor_obs 0.18374 _refine.ls_R_factor_all 0.18374 _refine.ls_R_factor_R_work 0.18132 _refine.ls_R_factor_R_free 0.22913 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.3 _refine.ls_number_reflns_R_free 1762 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 17.86 _refine.aniso_B[1][1] 0.41 _refine.aniso_B[2][2] -1.73 _refine.aniso_B[3][3] 1.32 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB entry 3GLY' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELYHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _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 3474 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 235 _refine_hist.number_atoms_solvent 390 _refine_hist.number_atoms_total 4099 _refine_hist.d_res_high 1.90 _refine_hist.d_res_low 50.0 # 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 0.009 ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.15 ? ? ? 'X-RAY DIFFRACTION' ? r_chiral_restr 0.076 ? ? ? 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.186 ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.304 ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.119 ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.131 ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used ? _refine_ls_shell.d_res_high 1.900 _refine_ls_shell.d_res_low 1.949 _refine_ls_shell.number_reflns_R_work ? _refine_ls_shell.R_factor_R_work 0.233 _refine_ls_shell.percent_reflns_obs 67.72 _refine_ls_shell.R_factor_R_free 0.277 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 67 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 1720 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3EQA _struct.title 'Catalytic domain of glucoamylase from aspergillus niger complexed with tris and glycerol' _struct.pdbx_descriptor 'Glucoamylase (E.C.3.2.1.3)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag N _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3EQA _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Hydrolase, Glycoprotein, Glycosidase, Polysaccharide degradation' # 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 3 ? E N N 4 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 4 ? N N N 4 ? O N N 4 ? P N N 4 ? Q N N 4 ? R N N 4 ? S N N 4 ? T N N 4 ? U N N 5 ? V N N 6 ? W N N 7 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 TRP A 6 ? ASN A 21 ? TRP A 30 ASN A 45 1 ? 16 HELX_P HELX_P2 2 THR A 53 ? ASN A 69 ? THR A 77 ASN A 93 1 ? 17 HELX_P HELX_P3 3 ASP A 71 ? SER A 73 ? ASP A 95 SER A 97 5 ? 3 HELX_P HELX_P4 4 LEU A 74 ? GLN A 89 ? LEU A 98 GLN A 113 1 ? 16 HELX_P HELX_P5 5 GLY A 101 ? GLU A 106 ? GLY A 125 GLU A 130 5 ? 6 HELX_P HELX_P6 6 ARG A 125 ? ASN A 145 ? ARG A 149 ASN A 169 1 ? 21 HELX_P HELX_P7 7 TYR A 147 ? ILE A 154 ? TYR A 171 ILE A 178 1 ? 8 HELX_P HELX_P8 8 ILE A 154 ? TRP A 170 ? ILE A 178 TRP A 194 1 ? 17 HELX_P HELX_P9 9 PHE A 186 ? VAL A 206 ? PHE A 210 VAL A 230 1 ? 21 HELX_P HELX_P10 10 CYS A 210 ? GLN A 225 ? CYS A 234 GLN A 249 1 ? 16 HELX_P HELX_P11 11 SER A 226 ? TRP A 228 ? SER A 250 TRP A 252 5 ? 3 HELX_P HELX_P12 12 ASP A 245 ? THR A 255 ? ASP A 269 THR A 279 1 ? 11 HELX_P HELX_P13 13 ASP A 263 ? PHE A 267 ? ASP A 287 PHE A 291 5 ? 5 HELX_P HELX_P14 14 SER A 271 ? SER A 284 ? SER A 295 SER A 308 1 ? 14 HELX_P HELX_P15 15 TYR A 289 ? ASP A 293 ? TYR A 313 ASP A 317 5 ? 5 HELX_P HELX_P16 16 THR A 310 ? GLY A 314 ? THR A 334 GLY A 338 5 ? 5 HELX_P HELX_P17 17 TRP A 317 ? GLY A 339 ? TRP A 341 GLY A 363 1 ? 23 HELX_P HELX_P18 18 SER A 347 ? TYR A 355 ? SER A 371 TYR A 379 1 ? 9 HELX_P HELX_P19 19 SER A 367 ? ALA A 392 ? SER A 391 ALA A 416 1 ? 26 HELX_P HELX_P20 20 LEU A 415 ? ASN A 430 ? LEU A 439 ASN A 454 1 ? 16 HELX_P HELX_P21 21 GLY A 438 ? ALA A 442 ? GLY A 462 ALA A 466 5 ? 5 # _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 210 SG ? ? ? 1_555 A CYS 213 SG ? ? A CYS 234 A CYS 237 1_555 ? ? ? ? ? ? ? 2.052 ? disulf2 disulf ? ? A CYS 222 SG ? ? ? 1_555 A CYS 449 SG ? ? A CYS 246 A CYS 473 1_555 ? ? ? ? ? ? ? 2.032 ? disulf3 disulf ? ? A CYS 262 SG ? ? ? 1_555 A CYS 270 SG ? ? A CYS 286 A CYS 294 1_555 ? ? ? ? ? ? ? 2.049 ? covale1 covale ? ? A ASN 171 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 195 A NAG 501 1_555 ? ? ? ? ? ? ? 1.450 ? covale2 covale ? ? A ASN 395 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 419 A NAG 551 1_555 ? ? ? ? ? ? ? 1.442 ? covale3 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.434 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.440 ? covale5 covale ? ? D BMA . O3 ? ? ? 1_555 E MAN . C1 ? ? A BMA 503 A MAN 504 1_555 ? ? ? ? ? ? ? 1.444 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 551 A NAG 552 1_555 ? ? ? ? ? ? ? 1.439 ? covale7 covale ? ? G NAG . O4 ? ? ? 1_555 H BMA . C1 ? ? A NAG 552 A BMA 553 1_555 ? ? ? ? ? ? ? 1.438 ? covale8 covale ? ? H BMA . O3 ? ? ? 1_555 I MAN . C1 ? ? A BMA 553 A MAN 554 1_555 ? ? ? ? ? ? ? 1.443 ? covale9 covale ? ? H BMA . O6 ? ? ? 1_555 L MAN . C1 ? ? A BMA 553 A MAN 571 1_555 ? ? ? ? ? ? ? 1.437 ? covale10 covale ? ? I MAN . O2 ? ? ? 1_555 J MAN . C1 ? ? A MAN 554 A MAN 555 1_555 ? ? ? ? ? ? ? 1.446 ? covale11 covale ? ? J MAN . O2 ? ? ? 1_555 K MAN . C1 ? ? A MAN 555 A MAN 556 1_555 ? ? ? ? ? ? ? 1.444 ? covale12 covale ? ? L MAN . O3 ? ? ? 1_555 M MAN . C1 ? ? A MAN 571 A MAN 572 1_555 ? ? ? ? ? ? ? 1.448 ? covale13 covale ? ? A SER 443 OG ? ? ? 1_555 N MAN . C1 ? ? A SER 467 A MAN 600 1_555 ? ? ? ? ? ? ? 1.441 ? covale14 covale ? ? A SER 444 OG ? ? ? 1_555 O MAN . C1 ? ? A SER 468 A MAN 601 1_555 ? ? ? ? ? ? ? 1.446 ? covale15 covale ? ? A THR 452 OG1 ? ? ? 1_555 P MAN . C1 ? ? A THR 476 A MAN 602 1_555 ? ? ? ? ? ? ? 1.447 ? covale16 covale ? ? A SER 453 OG ? ? ? 1_555 Q MAN . C1 ? ? A SER 477 A MAN 603 1_555 ? ? ? ? ? ? ? 1.444 ? covale17 covale ? ? A SER 459 OG ? ? ? 1_555 R MAN . C1 ? ? A SER 483 A MAN 604 1_555 ? ? ? ? ? ? ? 1.440 ? covale18 covale ? ? A SER 460 OG ? ? ? 1_555 S MAN . C1 ? ? A SER 484 A MAN 605 1_555 ? ? ? ? ? ? ? 1.445 ? covale19 covale ? ? A THR 462 OG1 ? ? ? 1_555 T MAN . C1 ? ? A THR 486 A MAN 606 1_555 ? ? ? ? ? ? ? 1.448 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 GLY 23 A . ? GLY 47 A ALA 24 A ? ALA 48 A 1 3.68 2 ASN 45 A . ? ASN 69 A PRO 46 A ? PRO 70 A 1 3.21 3 ARG 122 A . ? ARG 146 A PRO 123 A ? PRO 147 A 1 -4.10 4 PHE 237 A . ? PHE 261 A ASP 238 A ? ASP 262 A 1 -6.32 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 3 ? B ? 3 ? C ? 2 ? D ? 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 A 1 2 ? anti-parallel A 2 3 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 THR A 51 ? TRP A 52 ? THR A 75 TRP A 76 A 2 LYS A 108 ? ASN A 110 ? LYS A 132 ASN A 134 A 3 THR A 114 ? ALA A 115 ? THR A 138 ALA A 139 B 1 GLY A 174 ? TYR A 175 ? GLY A 198 TYR A 199 B 2 ASN A 182 ? SER A 185 ? ASN A 206 SER A 209 B 3 ASN A 236 ? PHE A 237 ? ASN A 260 PHE A 261 C 1 SER A 340 ? VAL A 343 ? SER A 364 VAL A 367 C 2 GLY A 361 ? SER A 364 ? GLY A 385 SER A 388 D 1 GLN A 401 ? TYR A 402 ? GLN A 425 TYR A 426 D 2 GLN A 409 ? LEU A 410 ? GLN A 433 LEU A 434 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N THR A 51 ? N THR A 75 O PHE A 109 ? O PHE A 133 A 2 3 N ASN A 110 ? N ASN A 134 O THR A 114 ? O THR A 138 B 1 2 N GLY A 174 ? N GLY A 198 O GLY A 183 ? O GLY A 207 B 2 3 N SER A 184 ? N SER A 208 O PHE A 237 ? O PHE A 261 C 1 2 N LEU A 341 ? N LEU A 365 O TYR A 363 ? O TYR A 387 D 1 2 N GLN A 401 ? N GLN A 425 O LEU A 410 ? O LEU A 434 # 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 ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 501' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 502' AC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 503' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 504' AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 551' AC6 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE NAG A 552' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 553' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 554' AC9 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 555' BC1 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 556' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 571' BC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 572' BC4 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE MAN A 600' BC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 601' BC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 602' BC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 603' BC8 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE MAN A 604' BC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 605' CC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 606' CC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE TRS A 701' CC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL A 801' # 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 9 ASN A 171 ? ASN A 195 . ? 1_555 ? 2 AC1 9 THR A 173 ? THR A 197 . ? 1_555 ? 3 AC1 9 TYR A 223 ? TYR A 247 . ? 1_555 ? 4 AC1 9 NAG C . ? NAG A 502 . ? 1_555 ? 5 AC1 9 HOH W . ? HOH A 1047 . ? 1_555 ? 6 AC1 9 HOH W . ? HOH A 1085 . ? 1_555 ? 7 AC1 9 HOH W . ? HOH A 1105 . ? 1_555 ? 8 AC1 9 HOH W . ? HOH A 1148 . ? 1_555 ? 9 AC1 9 HOH W . ? HOH A 1185 . ? 1_555 ? 10 AC2 5 CYS A 449 ? CYS A 473 . ? 1_555 ? 11 AC2 5 NAG B . ? NAG A 501 . ? 1_555 ? 12 AC2 5 BMA D . ? BMA A 503 . ? 1_555 ? 13 AC2 5 HOH W . ? HOH A 1223 . ? 1_555 ? 14 AC2 5 HOH W . ? HOH A 1373 . ? 1_555 ? 15 AC3 3 NAG C . ? NAG A 502 . ? 1_555 ? 16 AC3 3 MAN E . ? MAN A 504 . ? 1_555 ? 17 AC3 3 HOH W . ? HOH A 1383 . ? 1_555 ? 18 AC4 5 SER A 226 ? SER A 250 . ? 1_555 ? 19 AC4 5 TRP A 228 ? TRP A 252 . ? 1_555 ? 20 AC4 5 PHE A 237 ? PHE A 261 . ? 1_555 ? 21 AC4 5 BMA D . ? BMA A 503 . ? 1_555 ? 22 AC4 5 HOH W . ? HOH A 1351 . ? 1_555 ? 23 AC5 7 VAL A 13 ? VAL A 37 . ? 1_555 ? 24 AC5 7 TRP A 28 ? TRP A 52 . ? 1_555 ? 25 AC5 7 ASN A 395 ? ASN A 419 . ? 1_555 ? 26 AC5 7 SER A 397 ? SER A 421 . ? 1_555 ? 27 AC5 7 ASP A 414 ? ASP A 438 . ? 1_555 ? 28 AC5 7 NAG G . ? NAG A 552 . ? 1_555 ? 29 AC5 7 HOH W . ? HOH A 1290 . ? 1_555 ? 30 AC6 10 ARG A 413 ? ARG A 437 . ? 1_555 ? 31 AC6 10 NAG F . ? NAG A 551 . ? 1_555 ? 32 AC6 10 BMA H . ? BMA A 553 . ? 1_555 ? 33 AC6 10 MAN L . ? MAN A 571 . ? 1_555 ? 34 AC6 10 MAN M . ? MAN A 572 . ? 1_555 ? 35 AC6 10 HOH W . ? HOH A 1107 . ? 1_555 ? 36 AC6 10 HOH W . ? HOH A 1171 . ? 1_555 ? 37 AC6 10 HOH W . ? HOH A 1179 . ? 1_555 ? 38 AC6 10 HOH W . ? HOH A 1290 . ? 1_555 ? 39 AC6 10 HOH W . ? HOH A 1377 . ? 1_555 ? 40 AC7 5 NAG G . ? NAG A 552 . ? 1_555 ? 41 AC7 5 MAN I . ? MAN A 554 . ? 1_555 ? 42 AC7 5 MAN L . ? MAN A 571 . ? 1_555 ? 43 AC7 5 HOH W . ? HOH A 1256 . ? 1_555 ? 44 AC7 5 HOH W . ? HOH A 1331 . ? 1_555 ? 45 AC8 3 BMA H . ? BMA A 553 . ? 1_555 ? 46 AC8 3 MAN J . ? MAN A 555 . ? 1_555 ? 47 AC8 3 HOH W . ? HOH A 1340 . ? 1_555 ? 48 AC9 8 VAL A 29 ? VAL A 53 . ? 1_555 ? 49 AC9 8 SER A 30 ? SER A 54 . ? 1_555 ? 50 AC9 8 PRO A 41 ? PRO A 65 . ? 1_555 ? 51 AC9 8 PHE A 49 ? PHE A 73 . ? 1_555 ? 52 AC9 8 MAN I . ? MAN A 554 . ? 1_555 ? 53 AC9 8 MAN K . ? MAN A 556 . ? 1_555 ? 54 AC9 8 HOH W . ? HOH A 1161 . ? 1_555 ? 55 AC9 8 HOH W . ? HOH A 1340 . ? 1_555 ? 56 BC1 1 MAN J . ? MAN A 555 . ? 1_555 ? 57 BC2 4 NAG G . ? NAG A 552 . ? 1_555 ? 58 BC2 4 BMA H . ? BMA A 553 . ? 1_555 ? 59 BC2 4 MAN M . ? MAN A 572 . ? 1_555 ? 60 BC2 4 HOH W . ? HOH A 1240 . ? 1_555 ? 61 BC3 8 SER A 42 ? SER A 66 . ? 1_555 ? 62 BC3 8 ASN A 45 ? ASN A 69 . ? 1_555 ? 63 BC3 8 SER A 411 ? SER A 435 . ? 1_555 ? 64 BC3 8 ARG A 413 ? ARG A 437 . ? 1_555 ? 65 BC3 8 NAG G . ? NAG A 552 . ? 1_555 ? 66 BC3 8 MAN L . ? MAN A 571 . ? 1_555 ? 67 BC3 8 HOH W . ? HOH A 1146 . ? 1_555 ? 68 BC3 8 HOH W . ? HOH A 1229 . ? 1_555 ? 69 BC4 9 ASP A 263 ? ASP A 287 . ? 1_555 ? 70 BC4 9 GLU A 439 ? GLU A 463 . ? 1_555 ? 71 BC4 9 THR A 440 ? THR A 464 . ? 1_555 ? 72 BC4 9 SER A 441 ? SER A 465 . ? 1_555 ? 73 BC4 9 ALA A 442 ? ALA A 466 . ? 1_555 ? 74 BC4 9 SER A 443 ? SER A 467 . ? 1_555 ? 75 BC4 9 SER A 444 ? SER A 468 . ? 1_555 ? 76 BC4 9 HOH W . ? HOH A 1221 . ? 1_555 ? 77 BC4 9 HOH W . ? HOH A 1232 . ? 1_555 ? 78 BC5 2 SER A 444 ? SER A 468 . ? 1_555 ? 79 BC5 2 PRO A 446 ? PRO A 470 . ? 1_555 ? 80 BC6 4 THR A 452 ? THR A 476 . ? 1_555 ? 81 BC6 4 SER A 453 ? SER A 477 . ? 1_555 ? 82 BC6 4 MAN Q . ? MAN A 603 . ? 1_555 ? 83 BC6 4 HOH W . ? HOH A 1296 . ? 1_555 ? 84 BC7 4 SER A 453 ? SER A 477 . ? 1_555 ? 85 BC7 4 MAN P . ? MAN A 602 . ? 1_555 ? 86 BC7 4 HOH W . ? HOH A 1079 . ? 1_555 ? 87 BC7 4 HOH W . ? HOH A 1272 . ? 1_555 ? 88 BC8 9 ARG A 160 ? ARG A 184 . ? 1_555 ? 89 BC8 9 ASP A 345 ? ASP A 369 . ? 2_455 ? 90 BC8 9 SER A 459 ? SER A 483 . ? 1_555 ? 91 BC8 9 SER A 460 ? SER A 484 . ? 1_555 ? 92 BC8 9 MAN T . ? MAN A 606 . ? 1_555 ? 93 BC8 9 HOH W . ? HOH A 1238 . ? 2_455 ? 94 BC8 9 HOH W . ? HOH A 1258 . ? 1_555 ? 95 BC8 9 HOH W . ? HOH A 1300 . ? 1_555 ? 96 BC8 9 HOH W . ? HOH A 1338 . ? 1_555 ? 97 BC9 6 ALA A 86 ? ALA A 110 . ? 1_555 ? 98 BC9 6 ILE A 87 ? ILE A 111 . ? 1_555 ? 99 BC9 6 GLY A 90 ? GLY A 114 . ? 1_555 ? 100 BC9 6 SER A 460 ? SER A 484 . ? 1_555 ? 101 BC9 6 VAL A 461 ? VAL A 485 . ? 1_555 ? 102 BC9 6 HOH W . ? HOH A 1167 . ? 1_555 ? 103 CC1 6 ASP A 345 ? ASP A 369 . ? 2_455 ? 104 CC1 6 VAL A 346 ? VAL A 370 . ? 2_455 ? 105 CC1 6 SER A 460 ? SER A 484 . ? 1_555 ? 106 CC1 6 THR A 462 ? THR A 486 . ? 1_555 ? 107 CC1 6 MAN R . ? MAN A 604 . ? 1_555 ? 108 CC1 6 HOH W . ? HOH A 1300 . ? 1_555 ? 109 CC2 6 TRP A 52 ? TRP A 76 . ? 1_555 ? 110 CC2 6 ARG A 54 ? ARG A 78 . ? 1_555 ? 111 CC2 6 ASP A 55 ? ASP A 79 . ? 1_555 ? 112 CC2 6 LEU A 177 ? LEU A 201 . ? 1_555 ? 113 CC2 6 GLU A 179 ? GLU A 203 . ? 1_555 ? 114 CC2 6 GOL V . ? GOL A 801 . ? 1_555 ? 115 CC3 8 TYR A 48 ? TYR A 72 . ? 1_555 ? 116 CC3 8 SER A 73 ? SER A 97 . ? 3_555 ? 117 CC3 8 TRP A 178 ? TRP A 202 . ? 1_555 ? 118 CC3 8 GLU A 179 ? GLU A 203 . ? 1_555 ? 119 CC3 8 GLU A 180 ? GLU A 204 . ? 1_555 ? 120 CC3 8 ARG A 305 ? ARG A 329 . ? 1_555 ? 121 CC3 8 TRS U . ? TRS A 701 . ? 1_555 ? 122 CC3 8 HOH W . ? HOH A 1420 . ? 1_555 ? # _atom_sites.entry_id 3EQA _atom_sites.fract_transf_matrix[1][1] 0.017293 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013657 _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] 0.009364 _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 N 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 ATOM 1 N N . TRP A 1 6 ? 14.379 -20.372 12.988 1.00 46.77 ? 30 TRP A N 1 ATOM 2 C CA . TRP A 1 6 ? 14.374 -19.384 14.109 1.00 46.78 ? 30 TRP A CA 1 ATOM 3 C C . TRP A 1 6 ? 12.951 -19.036 14.552 1.00 46.24 ? 30 TRP A C 1 ATOM 4 O O . TRP A 1 6 ? 12.688 -18.915 15.750 1.00 46.32 ? 30 TRP A O 1 ATOM 5 C CB . TRP A 1 6 ? 15.151 -18.112 13.728 1.00 47.45 ? 30 TRP A CB 1 ATOM 6 C CG . TRP A 1 6 ? 15.010 -16.982 14.729 1.00 48.13 ? 30 TRP A CG 1 ATOM 7 C CD1 . TRP A 1 6 ? 15.811 -16.737 15.812 1.00 48.84 ? 30 TRP A CD1 1 ATOM 8 C CD2 . TRP A 1 6 ? 14.000 -15.959 14.738 1.00 48.77 ? 30 TRP A CD2 1 ATOM 9 N NE1 . TRP A 1 6 ? 15.368 -15.620 16.490 1.00 48.88 ? 30 TRP A NE1 1 ATOM 10 C CE2 . TRP A 1 6 ? 14.258 -15.126 15.854 1.00 49.13 ? 30 TRP A CE2 1 ATOM 11 C CE3 . TRP A 1 6 ? 12.909 -15.658 13.904 1.00 48.79 ? 30 TRP A CE3 1 ATOM 12 C CZ2 . TRP A 1 6 ? 13.461 -14.011 16.162 1.00 49.18 ? 30 TRP A CZ2 1 ATOM 13 C CZ3 . TRP A 1 6 ? 12.115 -14.552 14.211 1.00 48.71 ? 30 TRP A CZ3 1 ATOM 14 C CH2 . TRP A 1 6 ? 12.397 -13.741 15.330 1.00 48.78 ? 30 TRP A CH2 1 ATOM 15 N N . LEU A 1 7 ? 12.043 -18.871 13.588 1.00 45.40 ? 31 LEU A N 1 ATOM 16 C CA . LEU A 1 7 ? 10.650 -18.508 13.882 1.00 44.34 ? 31 LEU A CA 1 ATOM 17 C C . LEU A 1 7 ? 9.979 -19.478 14.854 1.00 43.53 ? 31 LEU A C 1 ATOM 18 O O . LEU A 1 7 ? 9.384 -19.054 15.848 1.00 43.36 ? 31 LEU A O 1 ATOM 19 C CB . LEU A 1 7 ? 9.830 -18.382 12.593 1.00 44.47 ? 31 LEU A CB 1 ATOM 20 C CG . LEU A 1 7 ? 9.686 -16.983 11.981 1.00 44.59 ? 31 LEU A CG 1 ATOM 21 C CD1 . LEU A 1 7 ? 9.067 -17.074 10.599 1.00 44.39 ? 31 LEU A CD1 1 ATOM 22 C CD2 . LEU A 1 7 ? 8.849 -16.065 12.876 1.00 44.65 ? 31 LEU A CD2 1 ATOM 23 N N . SER A 1 8 ? 10.102 -20.770 14.561 1.00 42.50 ? 32 SER A N 1 ATOM 24 C CA . SER A 1 8 ? 9.580 -21.842 15.405 1.00 41.41 ? 32 SER A CA 1 ATOM 25 C C . SER A 1 8 ? 10.039 -21.726 16.862 1.00 40.18 ? 32 SER A C 1 ATOM 26 O O . SER A 1 8 ? 9.206 -21.714 17.777 1.00 40.04 ? 32 SER A O 1 ATOM 27 C CB . SER A 1 8 ? 9.978 -23.207 14.833 1.00 41.79 ? 32 SER A CB 1 ATOM 28 O OG . SER A 1 8 ? 9.304 -24.255 15.508 1.00 42.51 ? 32 SER A OG 1 ATOM 29 N N . ASN A 1 9 ? 11.356 -21.632 17.069 1.00 38.45 ? 33 ASN A N 1 ATOM 30 C CA . ASN A 1 9 ? 11.916 -21.483 18.420 1.00 36.82 ? 33 ASN A CA 1 ATOM 31 C C . ASN A 1 9 ? 11.613 -20.129 19.065 1.00 34.54 ? 33 ASN A C 1 ATOM 32 O O . ASN A 1 9 ? 11.470 -20.026 20.285 1.00 34.19 ? 33 ASN A O 1 ATOM 33 C CB . ASN A 1 9 ? 13.426 -21.822 18.478 1.00 37.61 ? 33 ASN A CB 1 ATOM 34 C CG . ASN A 1 9 ? 14.270 -21.034 17.467 1.00 39.63 ? 33 ASN A CG 1 ATOM 35 O OD1 . ASN A 1 9 ? 14.922 -21.627 16.598 1.00 42.64 ? 33 ASN A OD1 1 ATOM 36 N ND2 . ASN A 1 9 ? 14.285 -19.705 17.593 1.00 41.33 ? 33 ASN A ND2 1 ATOM 37 N N . GLU A 1 10 ? 11.501 -19.093 18.241 1.00 31.66 ? 34 GLU A N 1 ATOM 38 C CA . GLU A 1 10 ? 11.181 -17.768 18.749 1.00 28.66 ? 34 GLU A CA 1 ATOM 39 C C . GLU A 1 10 ? 9.729 -17.699 19.215 1.00 26.48 ? 34 GLU A C 1 ATOM 40 O O . GLU A 1 10 ? 9.432 -17.063 20.233 1.00 25.50 ? 34 GLU A O 1 ATOM 41 C CB . GLU A 1 10 ? 11.473 -16.696 17.706 1.00 28.89 ? 34 GLU A CB 1 ATOM 42 C CG . GLU A 1 10 ? 11.130 -15.284 18.156 1.00 29.82 ? 34 GLU A CG 1 ATOM 43 C CD . GLU A 1 10 ? 11.942 -14.802 19.345 1.00 30.91 ? 34 GLU A CD 1 ATOM 44 O OE1 . GLU A 1 10 ? 13.132 -15.178 19.453 1.00 30.85 ? 34 GLU A OE1 1 ATOM 45 O OE2 . GLU A 1 10 ? 11.381 -14.036 20.161 1.00 29.48 ? 34 GLU A OE2 1 ATOM 46 N N . ALA A 1 11 ? 8.840 -18.360 18.470 1.00 23.87 ? 35 ALA A N 1 ATOM 47 C CA . ALA A 1 11 ? 7.431 -18.439 18.834 1.00 21.64 ? 35 ALA A CA 1 ATOM 48 C C . ALA A 1 11 ? 7.280 -19.149 20.171 1.00 19.98 ? 35 ALA A C 1 ATOM 49 O O . ALA A 1 11 ? 6.408 -18.807 20.965 1.00 19.36 ? 35 ALA A O 1 ATOM 50 C CB . ALA A 1 11 ? 6.622 -19.143 17.743 1.00 22.16 ? 35 ALA A CB 1 ATOM 51 N N . THR A 1 12 ? 8.151 -20.126 20.424 1.00 18.24 ? 36 THR A N 1 ATOM 52 C CA . THR A 1 12 ? 8.168 -20.816 21.709 1.00 16.70 ? 36 THR A CA 1 ATOM 53 C C . THR A 1 12 ? 8.473 -19.843 22.849 1.00 15.55 ? 36 THR A C 1 ATOM 54 O O . THR A 1 12 ? 7.761 -19.815 23.861 1.00 15.07 ? 36 THR A O 1 ATOM 55 C CB . THR A 1 12 ? 9.168 -22.002 21.704 1.00 16.60 ? 36 THR A CB 1 ATOM 56 O OG1 . THR A 1 12 ? 8.759 -22.944 20.711 1.00 17.08 ? 36 THR A OG1 1 ATOM 57 C CG2 . THR A 1 12 ? 9.213 -22.696 23.062 1.00 15.74 ? 36 THR A CG2 1 ATOM 58 N N . VAL A 1 13 ? 9.515 -19.040 22.663 1.00 14.53 ? 37 VAL A N 1 ATOM 59 C CA . VAL A 1 13 ? 9.898 -18.032 23.651 1.00 13.74 ? 37 VAL A CA 1 ATOM 60 C C . VAL A 1 13 ? 8.761 -17.022 23.819 1.00 13.03 ? 37 VAL A C 1 ATOM 61 O O . VAL A 1 13 ? 8.406 -16.675 24.946 1.00 12.23 ? 37 VAL A O 1 ATOM 62 C CB . VAL A 1 13 ? 11.224 -17.336 23.269 1.00 13.98 ? 37 VAL A CB 1 ATOM 63 C CG1 . VAL A 1 13 ? 11.493 -16.138 24.167 1.00 14.13 ? 37 VAL A CG1 1 ATOM 64 C CG2 . VAL A 1 13 ? 12.379 -18.317 23.357 1.00 13.75 ? 37 VAL A CG2 1 ATOM 65 N N . ALA A 1 14 ? 8.181 -16.597 22.694 1.00 11.77 ? 38 ALA A N 1 ATOM 66 C CA . ALA A 1 14 ? 7.102 -15.603 22.673 1.00 11.80 ? 38 ALA A CA 1 ATOM 67 C C . ALA A 1 14 ? 5.918 -15.980 23.556 1.00 11.09 ? 38 ALA A C 1 ATOM 68 O O . ALA A 1 14 ? 5.435 -15.155 24.319 1.00 10.82 ? 38 ALA A O 1 ATOM 69 C CB . ALA A 1 14 ? 6.635 -15.355 21.237 1.00 11.79 ? 38 ALA A CB 1 ATOM 70 N N . ARG A 1 15 ? 5.469 -17.232 23.482 1.00 10.67 ? 39 ARG A N 1 ATOM 71 C CA . ARG A 1 15 ? 4.297 -17.654 24.259 1.00 10.63 ? 39 ARG A CA 1 ATOM 72 C C . ARG A 1 15 ? 4.566 -17.542 25.764 1.00 10.74 ? 39 ARG A C 1 ATOM 73 O O . ARG A 1 15 ? 3.751 -17.007 26.527 1.00 11.00 ? 39 ARG A O 1 ATOM 74 C CB . ARG A 1 15 ? 3.896 -19.089 23.885 1.00 10.68 ? 39 ARG A CB 1 ATOM 75 C CG . ARG A 1 15 ? 2.688 -19.644 24.635 1.00 11.09 ? 39 ARG A CG 1 ATOM 76 C CD . ARG A 1 15 ? 2.618 -21.149 24.447 1.00 11.51 ? 39 ARG A CD 1 ATOM 77 N NE . ARG A 1 15 ? 1.378 -21.781 24.912 1.00 11.67 ? 39 ARG A NE 1 ATOM 78 C CZ . ARG A 1 15 ? 1.150 -22.170 26.167 1.00 11.26 ? 39 ARG A CZ 1 ATOM 79 N NH1 . ARG A 1 15 ? 2.065 -21.965 27.113 1.00 10.26 ? 39 ARG A NH1 1 ATOM 80 N NH2 . ARG A 1 15 ? 0.010 -22.774 26.480 1.00 8.82 ? 39 ARG A NH2 1 ATOM 81 N N . THR A 1 16 ? 5.725 -18.032 26.174 1.00 10.58 ? 40 THR A N 1 ATOM 82 C CA . THR A 1 16 ? 6.086 -18.081 27.582 1.00 10.42 ? 40 THR A CA 1 ATOM 83 C C . THR A 1 16 ? 6.388 -16.675 28.103 1.00 10.48 ? 40 THR A C 1 ATOM 84 O O . THR A 1 16 ? 6.020 -16.348 29.234 1.00 9.89 ? 40 THR A O 1 ATOM 85 C CB . THR A 1 16 ? 7.263 -19.052 27.805 1.00 10.86 ? 40 THR A CB 1 ATOM 86 O OG1 . THR A 1 16 ? 6.847 -20.380 27.444 1.00 10.01 ? 40 THR A OG1 1 ATOM 87 C CG2 . THR A 1 16 ? 7.748 -19.055 29.268 1.00 10.42 ? 40 THR A CG2 1 ATOM 88 N N . ALA A 1 17 ? 7.032 -15.859 27.268 1.00 9.86 ? 41 ALA A N 1 ATOM 89 C CA . ALA A 1 17 ? 7.354 -14.468 27.615 1.00 10.63 ? 41 ALA A CA 1 ATOM 90 C C . ALA A 1 17 ? 6.098 -13.664 27.906 1.00 10.90 ? 41 ALA A C 1 ATOM 91 O O . ALA A 1 17 ? 6.057 -12.918 28.885 1.00 12.05 ? 41 ALA A O 1 ATOM 92 C CB . ALA A 1 17 ? 8.172 -13.809 26.510 1.00 10.28 ? 41 ALA A CB 1 ATOM 93 N N . ILE A 1 18 ? 5.068 -13.844 27.078 1.00 10.71 ? 42 ILE A N 1 ATOM 94 C CA . ILE A 1 18 ? 3.764 -13.204 27.293 1.00 10.88 ? 42 ILE A CA 1 ATOM 95 C C . ILE A 1 18 ? 3.184 -13.591 28.652 1.00 11.21 ? 42 ILE A C 1 ATOM 96 O O . ILE A 1 18 ? 2.814 -12.724 29.453 1.00 11.12 ? 42 ILE A O 1 ATOM 97 C CB . ILE A 1 18 ? 2.777 -13.552 26.154 1.00 10.82 ? 42 ILE A CB 1 ATOM 98 C CG1 . ILE A 1 18 ? 3.220 -12.856 24.856 1.00 11.38 ? 42 ILE A CG1 1 ATOM 99 C CG2 . ILE A 1 18 ? 1.332 -13.145 26.525 1.00 11.30 ? 42 ILE A CG2 1 ATOM 100 C CD1 . ILE A 1 18 ? 2.434 -13.286 23.599 1.00 11.29 ? 42 ILE A CD1 1 ATOM 101 N N . LEU A 1 19 ? 3.120 -14.891 28.921 1.00 11.17 ? 43 LEU A N 1 ATOM 102 C CA . LEU A 1 19 ? 2.622 -15.373 30.214 1.00 11.83 ? 43 LEU A CA 1 ATOM 103 C C . LEU A 1 19 ? 3.458 -14.843 31.382 1.00 11.63 ? 43 LEU A C 1 ATOM 104 O O . LEU A 1 19 ? 2.913 -14.585 32.447 1.00 12.16 ? 43 LEU A O 1 ATOM 105 C CB . LEU A 1 19 ? 2.553 -16.913 30.253 1.00 11.81 ? 43 LEU A CB 1 ATOM 106 C CG . LEU A 1 19 ? 1.621 -17.595 29.229 1.00 13.15 ? 43 LEU A CG 1 ATOM 107 C CD1 . LEU A 1 19 ? 1.642 -19.121 29.399 1.00 14.91 ? 43 LEU A CD1 1 ATOM 108 C CD2 . LEU A 1 19 ? 0.196 -17.070 29.325 1.00 13.16 ? 43 LEU A CD2 1 ATOM 109 N N . ASN A 1 20 ? 4.765 -14.680 31.184 1.00 11.87 ? 44 ASN A N 1 ATOM 110 C CA . ASN A 1 20 ? 5.625 -14.057 32.208 1.00 12.32 ? 44 ASN A CA 1 ATOM 111 C C . ASN A 1 20 ? 5.211 -12.607 32.524 1.00 12.13 ? 44 ASN A C 1 ATOM 112 O O . ASN A 1 20 ? 5.564 -12.067 33.573 1.00 11.55 ? 44 ASN A O 1 ATOM 113 C CB . ASN A 1 20 ? 7.097 -14.031 31.786 1.00 12.75 ? 44 ASN A CB 1 ATOM 114 C CG . ASN A 1 20 ? 7.764 -15.393 31.798 1.00 14.96 ? 44 ASN A CG 1 ATOM 115 O OD1 . ASN A 1 20 ? 7.289 -16.348 32.412 1.00 17.15 ? 44 ASN A OD1 1 ATOM 116 N ND2 . ASN A 1 20 ? 8.903 -15.476 31.117 1.00 16.67 ? 44 ASN A ND2 1 ATOM 117 N N . ASN A 1 21 ? 4.484 -11.987 31.598 1.00 11.79 ? 45 ASN A N 1 ATOM 118 C CA . ASN A 1 21 ? 4.040 -10.601 31.745 1.00 11.82 ? 45 ASN A CA 1 ATOM 119 C C . ASN A 1 21 ? 2.580 -10.478 32.175 1.00 11.72 ? 45 ASN A C 1 ATOM 120 O O . ASN A 1 21 ? 2.030 -9.380 32.233 1.00 11.49 ? 45 ASN A O 1 ATOM 121 C CB . ASN A 1 21 ? 4.301 -9.800 30.451 1.00 11.71 ? 45 ASN A CB 1 ATOM 122 C CG . ASN A 1 21 ? 5.744 -9.331 30.323 1.00 12.45 ? 45 ASN A CG 1 ATOM 123 O OD1 . ASN A 1 21 ? 6.161 -8.855 29.260 1.00 15.07 ? 45 ASN A OD1 1 ATOM 124 N ND2 . ASN A 1 21 ? 6.513 -9.443 31.403 1.00 11.48 ? 45 ASN A ND2 1 ATOM 125 N N . ILE A 1 22 ? 1.947 -11.598 32.499 1.00 11.93 ? 46 ILE A N 1 ATOM 126 C CA . ILE A 1 22 ? 0.549 -11.548 32.928 1.00 12.64 ? 46 ILE A CA 1 ATOM 127 C C . ILE A 1 22 ? 0.442 -11.955 34.399 1.00 13.12 ? 46 ILE A C 1 ATOM 128 O O . ILE A 1 22 ? 0.991 -12.981 34.801 1.00 13.88 ? 46 ILE A O 1 ATOM 129 C CB . ILE A 1 22 ? -0.375 -12.396 31.999 1.00 12.38 ? 46 ILE A CB 1 ATOM 130 C CG1 . ILE A 1 22 ? -0.264 -11.905 30.545 1.00 13.26 ? 46 ILE A CG1 1 ATOM 131 C CG2 . ILE A 1 22 ? -1.836 -12.314 32.442 1.00 12.88 ? 46 ILE A CG2 1 ATOM 132 C CD1 . ILE A 1 22 ? -0.980 -12.785 29.517 1.00 12.73 ? 46 ILE A CD1 1 ATOM 133 N N . GLY A 1 23 ? -0.253 -11.143 35.193 1.00 13.77 ? 47 GLY A N 1 ATOM 134 C CA . GLY A 1 23 ? -0.509 -11.439 36.612 1.00 14.33 ? 47 GLY A CA 1 ATOM 135 C C . GLY A 1 23 ? -1.530 -12.561 36.781 1.00 14.76 ? 47 GLY A C 1 ATOM 136 O O . GLY A 1 23 ? -2.274 -12.863 35.839 1.00 15.05 ? 47 GLY A O 1 ATOM 137 N N . ALA A 1 24 ? -1.602 -13.183 37.963 1.00 14.56 ? 48 ALA A N 1 ATOM 138 C CA . ALA A 1 24 ? -0.816 -12.814 39.151 1.00 14.87 ? 48 ALA A CA 1 ATOM 139 C C . ALA A 1 24 ? 0.556 -13.495 39.222 1.00 15.22 ? 48 ALA A C 1 ATOM 140 O O . ALA A 1 24 ? 1.439 -13.052 39.963 1.00 15.69 ? 48 ALA A O 1 ATOM 141 C CB . ALA A 1 24 ? -1.604 -13.135 40.414 1.00 14.58 ? 48 ALA A CB 1 ATOM 142 N N . ASP A 1 25 ? 0.736 -14.565 38.452 1.00 14.93 ? 49 ASP A N 1 ATOM 143 C CA . ASP A 1 25 ? 1.878 -15.454 38.652 1.00 14.97 ? 49 ASP A CA 1 ATOM 144 C C . ASP A 1 25 ? 2.939 -15.410 37.555 1.00 15.25 ? 49 ASP A C 1 ATOM 145 O O . ASP A 1 25 ? 3.861 -16.227 37.559 1.00 15.60 ? 49 ASP A O 1 ATOM 146 C CB . ASP A 1 25 ? 1.392 -16.899 38.882 1.00 14.90 ? 49 ASP A CB 1 ATOM 147 C CG . ASP A 1 25 ? 0.478 -17.023 40.089 0.50 13.25 ? 49 ASP A CG 1 ATOM 148 O OD1 . ASP A 1 25 ? 0.542 -16.155 40.986 0.50 9.74 ? 49 ASP A OD1 1 ATOM 149 O OD2 . ASP A 1 25 ? -0.310 -17.987 40.139 0.50 11.14 ? 49 ASP A OD2 1 ATOM 150 N N . GLY A 1 26 ? 2.815 -14.463 36.622 1.00 15.45 ? 50 GLY A N 1 ATOM 151 C CA . GLY A 1 26 ? 3.844 -14.256 35.598 1.00 15.24 ? 50 GLY A CA 1 ATOM 152 C C . GLY A 1 26 ? 5.153 -13.863 36.254 1.00 15.83 ? 50 GLY A C 1 ATOM 153 O O . GLY A 1 26 ? 5.185 -12.925 37.061 1.00 16.01 ? 50 GLY A O 1 ATOM 154 N N . ALA A 1 27 ? 6.229 -14.581 35.920 1.00 15.97 ? 51 ALA A N 1 ATOM 155 C CA . ALA A 1 27 ? 7.520 -14.449 36.629 1.00 16.21 ? 51 ALA A CA 1 ATOM 156 C C . ALA A 1 27 ? 8.104 -13.037 36.652 1.00 16.14 ? 51 ALA A C 1 ATOM 157 O O . ALA A 1 27 ? 8.841 -12.672 37.579 1.00 16.14 ? 51 ALA A O 1 ATOM 158 C CB . ALA A 1 27 ? 8.544 -15.416 36.064 1.00 16.30 ? 51 ALA A CB 1 ATOM 159 N N . TRP A 1 28 ? 7.794 -12.250 35.628 1.00 16.19 ? 52 TRP A N 1 ATOM 160 C CA . TRP A 1 28 ? 8.375 -10.914 35.513 1.00 16.22 ? 52 TRP A CA 1 ATOM 161 C C . TRP A 1 28 ? 7.524 -9.803 36.125 1.00 16.01 ? 52 TRP A C 1 ATOM 162 O O . TRP A 1 28 ? 7.968 -8.656 36.167 1.00 16.22 ? 52 TRP A O 1 ATOM 163 C CB . TRP A 1 28 ? 8.668 -10.577 34.049 1.00 16.30 ? 52 TRP A CB 1 ATOM 164 C CG . TRP A 1 28 ? 9.691 -11.458 33.405 1.00 17.20 ? 52 TRP A CG 1 ATOM 165 C CD1 . TRP A 1 28 ? 10.667 -12.200 34.033 1.00 17.58 ? 52 TRP A CD1 1 ATOM 166 C CD2 . TRP A 1 28 ? 9.873 -11.666 32.002 1.00 16.69 ? 52 TRP A CD2 1 ATOM 167 N NE1 . TRP A 1 28 ? 11.425 -12.862 33.103 1.00 17.66 ? 52 TRP A NE1 1 ATOM 168 C CE2 . TRP A 1 28 ? 10.965 -12.550 31.849 1.00 17.42 ? 52 TRP A CE2 1 ATOM 169 C CE3 . TRP A 1 28 ? 9.223 -11.190 30.858 1.00 16.99 ? 52 TRP A CE3 1 ATOM 170 C CZ2 . TRP A 1 28 ? 11.419 -12.970 30.592 1.00 18.21 ? 52 TRP A CZ2 1 ATOM 171 C CZ3 . TRP A 1 28 ? 9.670 -11.619 29.608 1.00 16.97 ? 52 TRP A CZ3 1 ATOM 172 C CH2 . TRP A 1 28 ? 10.761 -12.492 29.488 1.00 17.65 ? 52 TRP A CH2 1 ATOM 173 N N . VAL A 1 29 ? 6.320 -10.132 36.599 1.00 15.44 ? 53 VAL A N 1 ATOM 174 C CA . VAL A 1 29 ? 5.360 -9.094 37.002 1.00 15.36 ? 53 VAL A CA 1 ATOM 175 C C . VAL A 1 29 ? 4.672 -9.302 38.357 1.00 15.53 ? 53 VAL A C 1 ATOM 176 O O . VAL A 1 29 ? 3.488 -9.009 38.501 1.00 15.52 ? 53 VAL A O 1 ATOM 177 C CB . VAL A 1 29 ? 4.290 -8.822 35.887 1.00 15.16 ? 53 VAL A CB 1 ATOM 178 C CG1 . VAL A 1 29 ? 4.962 -8.289 34.624 1.00 14.50 ? 53 VAL A CG1 1 ATOM 179 C CG2 . VAL A 1 29 ? 3.459 -10.076 35.594 1.00 15.30 ? 53 VAL A CG2 1 ATOM 180 N N . SER A 1 30 ? 5.416 -9.787 39.352 1.00 15.92 ? 54 SER A N 1 ATOM 181 C CA . SER A 1 30 ? 4.879 -9.875 40.717 1.00 16.78 ? 54 SER A CA 1 ATOM 182 C C . SER A 1 30 ? 4.326 -8.506 41.121 1.00 16.50 ? 54 SER A C 1 ATOM 183 O O . SER A 1 30 ? 4.971 -7.486 40.901 1.00 16.56 ? 54 SER A O 1 ATOM 184 C CB . SER A 1 30 ? 5.964 -10.318 41.700 1.00 16.88 ? 54 SER A CB 1 ATOM 185 O OG . SER A 1 30 ? 5.409 -10.562 42.982 1.00 19.75 ? 54 SER A OG 1 ATOM 186 N N . GLY A 1 31 ? 3.131 -8.496 41.702 1.00 16.89 ? 55 GLY A N 1 ATOM 187 C CA . GLY A 1 31 ? 2.445 -7.253 42.045 1.00 17.08 ? 55 GLY A CA 1 ATOM 188 C C . GLY A 1 31 ? 1.242 -7.020 41.146 1.00 17.21 ? 55 GLY A C 1 ATOM 189 O O . GLY A 1 31 ? 0.274 -6.371 41.552 1.00 17.36 ? 55 GLY A O 1 ATOM 190 N N . ALA A 1 32 ? 1.302 -7.543 39.921 1.00 16.59 ? 56 ALA A N 1 ATOM 191 C CA . ALA A 1 32 ? 0.178 -7.436 38.988 1.00 16.33 ? 56 ALA A CA 1 ATOM 192 C C . ALA A 1 32 ? -0.970 -8.376 39.362 1.00 16.44 ? 56 ALA A C 1 ATOM 193 O O . ALA A 1 32 ? -0.739 -9.546 39.676 1.00 16.10 ? 56 ALA A O 1 ATOM 194 C CB . ALA A 1 32 ? 0.643 -7.699 37.564 1.00 16.23 ? 56 ALA A CB 1 ATOM 195 N N . ASP A 1 33 ? -2.205 -7.872 39.308 1.00 16.63 ? 57 ASP A N 1 ATOM 196 C CA . ASP A 1 33 ? -3.390 -8.674 39.657 1.00 17.02 ? 57 ASP A CA 1 ATOM 197 C C . ASP A 1 33 ? -3.645 -9.800 38.644 1.00 16.77 ? 57 ASP A C 1 ATOM 198 O O . ASP A 1 33 ? -3.094 -9.792 37.540 1.00 16.00 ? 57 ASP A O 1 ATOM 199 C CB . ASP A 1 33 ? -4.641 -7.791 39.782 1.00 17.26 ? 57 ASP A CB 1 ATOM 200 C CG . ASP A 1 33 ? -4.773 -7.120 41.161 1.00 19.72 ? 57 ASP A CG 1 ATOM 201 O OD1 . ASP A 1 33 ? -3.893 -7.293 42.027 1.00 22.98 ? 57 ASP A OD1 1 ATOM 202 O OD2 . ASP A 1 33 ? -5.778 -6.412 41.383 1.00 23.12 ? 57 ASP A OD2 1 ATOM 203 N N . SER A 1 34 ? -4.487 -10.761 39.026 1.00 16.65 ? 58 SER A N 1 ATOM 204 C CA . SER A 1 34 ? -4.831 -11.889 38.158 1.00 17.07 ? 58 SER A CA 1 ATOM 205 C C . SER A 1 34 ? -5.534 -11.418 36.889 1.00 16.76 ? 58 SER A C 1 ATOM 206 O O . SER A 1 34 ? -6.538 -10.709 36.955 1.00 17.49 ? 58 SER A O 1 ATOM 207 C CB . SER A 1 34 ? -5.724 -12.886 38.894 1.00 17.34 ? 58 SER A CB 1 ATOM 208 O OG . SER A 1 34 ? -6.208 -13.877 38.007 1.00 17.97 ? 58 SER A OG 1 ATOM 209 N N . GLY A 1 35 ? -5.002 -11.823 35.741 1.00 16.24 ? 59 GLY A N 1 ATOM 210 C CA . GLY A 1 35 ? -5.605 -11.493 34.461 1.00 15.86 ? 59 GLY A CA 1 ATOM 211 C C . GLY A 1 35 ? -5.174 -10.142 33.921 1.00 15.38 ? 59 GLY A C 1 ATOM 212 O O . GLY A 1 35 ? -5.681 -9.687 32.896 1.00 15.57 ? 59 GLY A O 1 ATOM 213 N N . ILE A 1 36 ? -4.229 -9.510 34.610 1.00 15.17 ? 60 ILE A N 1 ATOM 214 C CA . ILE A 1 36 ? -3.693 -8.209 34.195 1.00 14.08 ? 60 ILE A CA 1 ATOM 215 C C . ILE A 1 36 ? -2.423 -8.369 33.362 1.00 13.77 ? 60 ILE A C 1 ATOM 216 O O . ILE A 1 36 ? -1.380 -8.830 33.866 1.00 13.46 ? 60 ILE A O 1 ATOM 217 C CB . ILE A 1 36 ? -3.431 -7.279 35.424 1.00 13.60 ? 60 ILE A CB 1 ATOM 218 C CG1 . ILE A 1 36 ? -4.747 -6.946 36.159 1.00 13.05 ? 60 ILE A CG1 1 ATOM 219 C CG2 . ILE A 1 36 ? -2.607 -6.023 35.013 1.00 12.65 ? 60 ILE A CG2 1 ATOM 220 C CD1 . ILE A 1 36 ? -5.767 -6.100 35.364 1.00 11.62 ? 60 ILE A CD1 1 ATOM 221 N N . VAL A 1 37 ? -2.529 -7.971 32.090 1.00 13.27 ? 61 VAL A N 1 ATOM 222 C CA . VAL A 1 37 ? -1.401 -7.929 31.156 1.00 12.96 ? 61 VAL A CA 1 ATOM 223 C C . VAL A 1 37 ? -0.595 -6.635 31.353 1.00 12.71 ? 61 VAL A C 1 ATOM 224 O O . VAL A 1 37 ? -1.102 -5.535 31.125 1.00 13.05 ? 61 VAL A O 1 ATOM 225 C CB . VAL A 1 37 ? -1.893 -7.997 29.671 1.00 12.83 ? 61 VAL A CB 1 ATOM 226 C CG1 . VAL A 1 37 ? -0.718 -8.072 28.703 1.00 13.71 ? 61 VAL A CG1 1 ATOM 227 C CG2 . VAL A 1 37 ? -2.835 -9.180 29.459 1.00 12.73 ? 61 VAL A CG2 1 ATOM 228 N N . VAL A 1 38 ? 0.659 -6.775 31.766 1.00 12.09 ? 62 VAL A N 1 ATOM 229 C CA . VAL A 1 38 ? 1.568 -5.635 31.895 1.00 11.80 ? 62 VAL A CA 1 ATOM 230 C C . VAL A 1 38 ? 2.292 -5.448 30.567 1.00 11.68 ? 62 VAL A C 1 ATOM 231 O O . VAL A 1 38 ? 2.726 -6.425 29.947 1.00 11.75 ? 62 VAL A O 1 ATOM 232 C CB . VAL A 1 38 ? 2.603 -5.861 33.020 1.00 11.90 ? 62 VAL A CB 1 ATOM 233 C CG1 . VAL A 1 38 ? 3.364 -4.558 33.341 1.00 11.57 ? 62 VAL A CG1 1 ATOM 234 C CG2 . VAL A 1 38 ? 1.907 -6.398 34.270 1.00 11.27 ? 62 VAL A CG2 1 ATOM 235 N N . ALA A 1 39 ? 2.432 -4.199 30.131 1.00 11.53 ? 63 ALA A N 1 ATOM 236 C CA . ALA A 1 39 ? 3.029 -3.921 28.820 1.00 11.61 ? 63 ALA A CA 1 ATOM 237 C C . ALA A 1 39 ? 4.500 -4.355 28.734 1.00 11.99 ? 63 ALA A C 1 ATOM 238 O O . ALA A 1 39 ? 4.958 -4.791 27.680 1.00 12.19 ? 63 ALA A O 1 ATOM 239 C CB . ALA A 1 39 ? 2.890 -2.446 28.474 1.00 10.87 ? 63 ALA A CB 1 ATOM 240 N N . SER A 1 40 ? 5.228 -4.196 29.840 1.00 12.12 ? 64 SER A N 1 ATOM 241 C CA . SER A 1 40 ? 6.624 -4.610 29.962 1.00 12.60 ? 64 SER A CA 1 ATOM 242 C C . SER A 1 40 ? 6.987 -4.599 31.445 1.00 13.31 ? 64 SER A C 1 ATOM 243 O O . SER A 1 40 ? 6.449 -3.779 32.189 1.00 13.37 ? 64 SER A O 1 ATOM 244 C CB . SER A 1 40 ? 7.530 -3.653 29.186 1.00 12.95 ? 64 SER A CB 1 ATOM 245 O OG . SER A 1 40 ? 8.858 -3.643 29.678 1.00 13.51 ? 64 SER A OG 1 ATOM 246 N N . PRO A 1 41 ? 7.893 -5.505 31.885 1.00 13.83 ? 65 PRO A N 1 ATOM 247 C CA . PRO A 1 41 ? 8.316 -5.519 33.298 1.00 14.27 ? 65 PRO A CA 1 ATOM 248 C C . PRO A 1 41 ? 9.169 -4.305 33.713 1.00 14.70 ? 65 PRO A C 1 ATOM 249 O O . PRO A 1 41 ? 9.476 -4.138 34.900 1.00 15.13 ? 65 PRO A O 1 ATOM 250 C CB . PRO A 1 41 ? 9.139 -6.817 33.402 1.00 14.37 ? 65 PRO A CB 1 ATOM 251 C CG . PRO A 1 41 ? 9.671 -7.046 32.036 1.00 14.10 ? 65 PRO A CG 1 ATOM 252 C CD . PRO A 1 41 ? 8.564 -6.567 31.104 1.00 13.68 ? 65 PRO A CD 1 ATOM 253 N N . SER A 1 42 ? 9.548 -3.476 32.746 1.00 15.11 ? 66 SER A N 1 ATOM 254 C CA . SER A 1 42 ? 10.375 -2.286 32.995 1.00 16.00 ? 66 SER A CA 1 ATOM 255 C C . SER A 1 42 ? 9.631 -1.253 33.851 1.00 16.08 ? 66 SER A C 1 ATOM 256 O O . SER A 1 42 ? 8.559 -0.781 33.467 1.00 15.60 ? 66 SER A O 1 ATOM 257 C CB . SER A 1 42 ? 10.799 -1.659 31.663 1.00 15.91 ? 66 SER A CB 1 ATOM 258 O OG . SER A 1 42 ? 11.833 -0.704 31.849 1.00 16.90 ? 66 SER A OG 1 ATOM 259 N N . THR A 1 43 ? 10.199 -0.922 35.012 1.00 16.33 ? 67 THR A N 1 ATOM 260 C CA . THR A 1 43 ? 9.588 0.053 35.929 1.00 16.57 ? 67 THR A CA 1 ATOM 261 C C . THR A 1 43 ? 10.294 1.420 35.912 1.00 16.88 ? 67 THR A C 1 ATOM 262 O O . THR A 1 43 ? 9.895 2.338 36.634 1.00 16.42 ? 67 THR A O 1 ATOM 263 C CB . THR A 1 43 ? 9.570 -0.458 37.397 1.00 16.83 ? 67 THR A CB 1 ATOM 264 O OG1 . THR A 1 43 ? 10.917 -0.608 37.866 1.00 16.52 ? 67 THR A OG1 1 ATOM 265 C CG2 . THR A 1 43 ? 8.816 -1.781 37.530 1.00 16.58 ? 67 THR A CG2 1 ATOM 266 N N . ASP A 1 44 ? 11.352 1.540 35.114 1.00 17.17 ? 68 ASP A N 1 ATOM 267 C CA . ASP A 1 44 ? 12.129 2.771 35.030 1.00 17.88 ? 68 ASP A CA 1 ATOM 268 C C . ASP A 1 44 ? 12.906 2.774 33.733 1.00 17.53 ? 68 ASP A C 1 ATOM 269 O O . ASP A 1 44 ? 13.430 1.744 33.318 1.00 17.05 ? 68 ASP A O 1 ATOM 270 C CB . ASP A 1 44 ? 13.110 2.910 36.209 1.00 18.59 ? 68 ASP A CB 1 ATOM 271 C CG . ASP A 1 44 ? 13.544 4.359 36.452 1.00 20.91 ? 68 ASP A CG 1 ATOM 272 O OD1 . ASP A 1 44 ? 14.753 4.601 36.686 1.00 23.85 ? 68 ASP A OD1 1 ATOM 273 O OD2 . ASP A 1 44 ? 12.677 5.265 36.417 1.00 24.64 ? 68 ASP A OD2 1 ATOM 274 N N . ASN A 1 45 ? 12.951 3.936 33.093 1.00 17.29 ? 69 ASN A N 1 ATOM 275 C CA . ASN A 1 45 ? 13.776 4.166 31.906 1.00 17.58 ? 69 ASN A CA 1 ATOM 276 C C . ASN A 1 45 ? 13.603 3.157 30.771 1.00 17.04 ? 69 ASN A C 1 ATOM 277 O O . ASN A 1 45 ? 14.590 2.599 30.295 1.00 17.27 ? 69 ASN A O 1 ATOM 278 C CB . ASN A 1 45 ? 15.254 4.261 32.314 1.00 17.94 ? 69 ASN A CB 1 ATOM 279 C CG . ASN A 1 45 ? 15.532 5.446 33.216 1.00 19.91 ? 69 ASN A CG 1 ATOM 280 O OD1 . ASN A 1 45 ? 14.884 6.492 33.104 1.00 22.69 ? 69 ASN A OD1 1 ATOM 281 N ND2 . ASN A 1 45 ? 16.510 5.299 34.106 1.00 21.50 ? 69 ASN A ND2 1 ATOM 282 N N . PRO A 1 46 ? 12.359 2.952 30.294 1.00 16.56 ? 70 PRO A N 1 ATOM 283 C CA . PRO A 1 46 ? 11.100 3.606 30.656 1.00 15.95 ? 70 PRO A CA 1 ATOM 284 C C . PRO A 1 46 ? 10.236 2.842 31.663 1.00 15.22 ? 70 PRO A C 1 ATOM 285 O O . PRO A 1 46 ? 10.441 1.645 31.887 1.00 14.99 ? 70 PRO A O 1 ATOM 286 C CB . PRO A 1 46 ? 10.373 3.673 29.319 1.00 16.02 ? 70 PRO A CB 1 ATOM 287 C CG . PRO A 1 46 ? 10.844 2.418 28.585 1.00 16.32 ? 70 PRO A CG 1 ATOM 288 C CD . PRO A 1 46 ? 12.155 1.981 29.200 1.00 16.79 ? 70 PRO A CD 1 ATOM 289 N N . ASP A 1 47 ? 9.278 3.543 32.257 1.00 14.52 ? 71 ASP A N 1 ATOM 290 C CA . ASP A 1 47 ? 8.315 2.931 33.166 1.00 14.25 ? 71 ASP A CA 1 ATOM 291 C C . ASP A 1 47 ? 7.050 2.444 32.424 1.00 13.85 ? 71 ASP A C 1 ATOM 292 O O . ASP A 1 47 ? 6.102 3.213 32.216 1.00 13.65 ? 71 ASP A O 1 ATOM 293 C CB . ASP A 1 47 ? 7.956 3.917 34.287 1.00 14.42 ? 71 ASP A CB 1 ATOM 294 C CG . ASP A 1 47 ? 6.977 3.332 35.294 1.00 15.43 ? 71 ASP A CG 1 ATOM 295 O OD1 . ASP A 1 47 ? 6.696 2.114 35.226 1.00 16.33 ? 71 ASP A OD1 1 ATOM 296 O OD2 . ASP A 1 47 ? 6.475 4.093 36.160 1.00 14.90 ? 71 ASP A OD2 1 ATOM 297 N N . TYR A 1 48 ? 7.040 1.163 32.046 1.00 13.24 ? 72 TYR A N 1 ATOM 298 C CA . TYR A 1 48 ? 5.900 0.552 31.343 1.00 12.79 ? 72 TYR A CA 1 ATOM 299 C C . TYR A 1 48 ? 5.160 -0.441 32.232 1.00 12.72 ? 72 TYR A C 1 ATOM 300 O O . TYR A 1 48 ? 4.343 -1.237 31.755 1.00 12.21 ? 72 TYR A O 1 ATOM 301 C CB . TYR A 1 48 ? 6.370 -0.173 30.085 1.00 12.79 ? 72 TYR A CB 1 ATOM 302 C CG . TYR A 1 48 ? 6.596 0.684 28.853 1.00 13.12 ? 72 TYR A CG 1 ATOM 303 C CD1 . TYR A 1 48 ? 7.122 1.968 28.945 1.00 13.66 ? 72 TYR A CD1 1 ATOM 304 C CD2 . TYR A 1 48 ? 6.309 0.182 27.586 1.00 12.94 ? 72 TYR A CD2 1 ATOM 305 C CE1 . TYR A 1 48 ? 7.350 2.745 27.796 1.00 14.22 ? 72 TYR A CE1 1 ATOM 306 C CE2 . TYR A 1 48 ? 6.532 0.937 26.444 1.00 14.90 ? 72 TYR A CE2 1 ATOM 307 C CZ . TYR A 1 48 ? 7.052 2.223 26.553 1.00 13.62 ? 72 TYR A CZ 1 ATOM 308 O OH . TYR A 1 48 ? 7.277 2.970 25.416 1.00 12.70 ? 72 TYR A OH 1 ATOM 309 N N . PHE A 1 49 ? 5.449 -0.393 33.529 1.00 12.33 ? 73 PHE A N 1 ATOM 310 C CA . PHE A 1 49 ? 4.828 -1.296 34.492 1.00 12.27 ? 73 PHE A CA 1 ATOM 311 C C . PHE A 1 49 ? 3.385 -0.858 34.795 1.00 11.65 ? 73 PHE A C 1 ATOM 312 O O . PHE A 1 49 ? 3.043 -0.432 35.909 1.00 11.00 ? 73 PHE A O 1 ATOM 313 C CB . PHE A 1 49 ? 5.705 -1.412 35.756 1.00 12.82 ? 73 PHE A CB 1 ATOM 314 C CG . PHE A 1 49 ? 5.427 -2.641 36.575 1.00 13.82 ? 73 PHE A CG 1 ATOM 315 C CD1 . PHE A 1 49 ? 5.793 -3.908 36.105 1.00 14.71 ? 73 PHE A CD1 1 ATOM 316 C CD2 . PHE A 1 49 ? 4.794 -2.540 37.817 1.00 14.86 ? 73 PHE A CD2 1 ATOM 317 C CE1 . PHE A 1 49 ? 5.536 -5.058 36.858 1.00 15.27 ? 73 PHE A CE1 1 ATOM 318 C CE2 . PHE A 1 49 ? 4.537 -3.695 38.587 1.00 15.09 ? 73 PHE A CE2 1 ATOM 319 C CZ . PHE A 1 49 ? 4.903 -4.950 38.098 1.00 14.31 ? 73 PHE A CZ 1 ATOM 320 N N . TYR A 1 50 ? 2.560 -0.934 33.753 1.00 11.00 ? 74 TYR A N 1 ATOM 321 C CA . TYR A 1 50 ? 1.145 -0.573 33.790 1.00 11.58 ? 74 TYR A CA 1 ATOM 322 C C . TYR A 1 50 ? 0.394 -1.513 32.872 1.00 11.36 ? 74 TYR A C 1 ATOM 323 O O . TYR A 1 50 ? 1.000 -2.242 32.084 1.00 11.68 ? 74 TYR A O 1 ATOM 324 C CB . TYR A 1 50 ? 0.922 0.879 33.299 1.00 11.79 ? 74 TYR A CB 1 ATOM 325 C CG . TYR A 1 50 ? 1.673 1.902 34.113 1.00 12.51 ? 74 TYR A CG 1 ATOM 326 C CD1 . TYR A 1 50 ? 1.134 2.405 35.304 1.00 11.50 ? 74 TYR A CD1 1 ATOM 327 C CD2 . TYR A 1 50 ? 2.952 2.328 33.723 1.00 11.95 ? 74 TYR A CD2 1 ATOM 328 C CE1 . TYR A 1 50 ? 1.842 3.327 36.075 1.00 12.42 ? 74 TYR A CE1 1 ATOM 329 C CE2 . TYR A 1 50 ? 3.656 3.243 34.478 1.00 12.27 ? 74 TYR A CE2 1 ATOM 330 C CZ . TYR A 1 50 ? 3.098 3.740 35.651 1.00 12.66 ? 74 TYR A CZ 1 ATOM 331 O OH . TYR A 1 50 ? 3.815 4.643 36.397 1.00 12.14 ? 74 TYR A OH 1 ATOM 332 N N . THR A 1 51 ? -0.927 -1.486 32.953 1.00 10.85 ? 75 THR A N 1 ATOM 333 C CA . THR A 1 51 ? -1.727 -2.257 32.016 1.00 11.10 ? 75 THR A CA 1 ATOM 334 C C . THR A 1 51 ? -2.486 -1.322 31.073 1.00 11.05 ? 75 THR A C 1 ATOM 335 O O . THR A 1 51 ? -3.226 -0.468 31.523 1.00 11.09 ? 75 THR A O 1 ATOM 336 C CB . THR A 1 51 ? -2.663 -3.278 32.735 1.00 10.84 ? 75 THR A CB 1 ATOM 337 O OG1 . THR A 1 51 ? -3.374 -4.065 31.765 1.00 12.40 ? 75 THR A OG1 1 ATOM 338 C CG2 . THR A 1 51 ? -3.659 -2.603 33.692 1.00 9.72 ? 75 THR A CG2 1 ATOM 339 N N . TRP A 1 52 ? -2.279 -1.493 29.767 1.00 10.75 ? 76 TRP A N 1 ATOM 340 C CA . TRP A 1 52 ? -2.997 -0.719 28.766 1.00 10.77 ? 76 TRP A CA 1 ATOM 341 C C . TRP A 1 52 ? -4.136 -1.565 28.221 1.00 11.02 ? 76 TRP A C 1 ATOM 342 O O . TRP A 1 52 ? -3.975 -2.769 27.973 1.00 10.92 ? 76 TRP A O 1 ATOM 343 C CB . TRP A 1 52 ? -2.082 -0.335 27.607 1.00 11.02 ? 76 TRP A CB 1 ATOM 344 C CG . TRP A 1 52 ? -1.277 0.925 27.774 1.00 11.35 ? 76 TRP A CG 1 ATOM 345 C CD1 . TRP A 1 52 ? -1.550 2.146 27.222 1.00 11.74 ? 76 TRP A CD1 1 ATOM 346 C CD2 . TRP A 1 52 ? -0.039 1.076 28.484 1.00 12.42 ? 76 TRP A CD2 1 ATOM 347 N NE1 . TRP A 1 52 ? -0.575 3.054 27.560 1.00 12.14 ? 76 TRP A NE1 1 ATOM 348 C CE2 . TRP A 1 52 ? 0.367 2.425 28.334 1.00 12.07 ? 76 TRP A CE2 1 ATOM 349 C CE3 . TRP A 1 52 ? 0.760 0.208 29.242 1.00 12.32 ? 76 TRP A CE3 1 ATOM 350 C CZ2 . TRP A 1 52 ? 1.542 2.927 28.906 1.00 12.15 ? 76 TRP A CZ2 1 ATOM 351 C CZ3 . TRP A 1 52 ? 1.938 0.706 29.811 1.00 12.06 ? 76 TRP A CZ3 1 ATOM 352 C CH2 . TRP A 1 52 ? 2.311 2.055 29.646 1.00 12.38 ? 76 TRP A CH2 1 ATOM 353 N N . THR A 1 53 ? -5.286 -0.937 28.009 1.00 10.40 ? 77 THR A N 1 ATOM 354 C CA . THR A 1 53 ? -6.431 -1.657 27.476 1.00 10.73 ? 77 THR A CA 1 ATOM 355 C C . THR A 1 53 ? -6.164 -2.173 26.047 1.00 10.60 ? 77 THR A C 1 ATOM 356 O O . THR A 1 53 ? -6.556 -3.295 25.704 1.00 11.12 ? 77 THR A O 1 ATOM 357 C CB . THR A 1 53 ? -7.702 -0.800 27.562 1.00 10.76 ? 77 THR A CB 1 ATOM 358 O OG1 . THR A 1 53 ? -8.038 -0.623 28.945 1.00 11.54 ? 77 THR A OG1 1 ATOM 359 C CG2 . THR A 1 53 ? -8.886 -1.471 26.855 1.00 10.59 ? 77 THR A CG2 1 ATOM 360 N N . ARG A 1 54 ? -5.498 -1.353 25.235 1.00 9.84 ? 78 ARG A N 1 ATOM 361 C CA . ARG A 1 54 ? -5.085 -1.748 23.885 1.00 10.12 ? 78 ARG A CA 1 ATOM 362 C C . ARG A 1 54 ? -4.113 -2.937 23.886 1.00 10.34 ? 78 ARG A C 1 ATOM 363 O O . ARG A 1 54 ? -4.364 -3.943 23.213 1.00 9.82 ? 78 ARG A O 1 ATOM 364 C CB . ARG A 1 54 ? -4.485 -0.555 23.124 1.00 9.62 ? 78 ARG A CB 1 ATOM 365 C CG . ARG A 1 54 ? -3.673 -0.924 21.826 1.00 10.54 ? 78 ARG A CG 1 ATOM 366 C CD . ARG A 1 54 ? -3.006 0.303 21.174 1.00 10.14 ? 78 ARG A CD 1 ATOM 367 N NE . ARG A 1 54 ? -2.306 1.108 22.176 1.00 12.14 ? 78 ARG A NE 1 ATOM 368 C CZ . ARG A 1 54 ? -2.802 2.198 22.753 1.00 11.47 ? 78 ARG A CZ 1 ATOM 369 N NH1 . ARG A 1 54 ? -3.996 2.673 22.407 1.00 10.34 ? 78 ARG A NH1 1 ATOM 370 N NH2 . ARG A 1 54 ? -2.092 2.817 23.681 1.00 11.74 ? 78 ARG A NH2 1 ATOM 371 N N . ASP A 1 55 ? -3.000 -2.820 24.618 1.00 10.59 ? 79 ASP A N 1 ATOM 372 C CA . ASP A 1 55 ? -1.993 -3.888 24.619 1.00 10.69 ? 79 ASP A CA 1 ATOM 373 C C . ASP A 1 55 ? -2.599 -5.195 25.116 1.00 11.62 ? 79 ASP A C 1 ATOM 374 O O . ASP A 1 55 ? -2.394 -6.245 24.512 1.00 11.65 ? 79 ASP A O 1 ATOM 375 C CB . ASP A 1 55 ? -0.772 -3.529 25.491 1.00 10.52 ? 79 ASP A CB 1 ATOM 376 C CG . ASP A 1 55 ? -0.010 -2.339 24.970 0.50 8.90 ? 79 ASP A CG 1 ATOM 377 O OD1 . ASP A 1 55 ? -0.656 -1.354 24.579 0.50 6.20 ? 79 ASP A OD1 1 ATOM 378 O OD2 . ASP A 1 55 ? 1.236 -2.385 24.973 0.50 8.18 ? 79 ASP A OD2 1 ATOM 379 N N . SER A 1 56 ? -3.340 -5.119 26.219 1.00 11.32 ? 80 SER A N 1 ATOM 380 C CA . SER A 1 56 ? -3.984 -6.295 26.809 1.00 11.85 ? 80 SER A CA 1 ATOM 381 C C . SER A 1 56 ? -4.947 -6.942 25.811 1.00 11.69 ? 80 SER A C 1 ATOM 382 O O . SER A 1 56 ? -4.941 -8.159 25.662 1.00 12.16 ? 80 SER A O 1 ATOM 383 C CB . SER A 1 56 ? -4.708 -5.915 28.098 1.00 11.81 ? 80 SER A CB 1 ATOM 384 O OG . SER A 1 56 ? -3.835 -5.182 28.949 1.00 13.85 ? 80 SER A OG 1 ATOM 385 N N . GLY A 1 57 ? -5.746 -6.122 25.122 1.00 10.90 ? 81 GLY A N 1 ATOM 386 C CA . GLY A 1 57 ? -6.742 -6.618 24.163 1.00 11.09 ? 81 GLY A CA 1 ATOM 387 C C . GLY A 1 57 ? -6.125 -7.271 22.936 1.00 11.21 ? 81 GLY A C 1 ATOM 388 O O . GLY A 1 57 ? -6.627 -8.286 22.441 1.00 11.45 ? 81 GLY A O 1 ATOM 389 N N . LEU A 1 58 ? -5.039 -6.688 22.435 1.00 10.96 ? 82 LEU A N 1 ATOM 390 C CA . LEU A 1 58 ? -4.325 -7.269 21.288 1.00 11.30 ? 82 LEU A CA 1 ATOM 391 C C . LEU A 1 58 ? -3.657 -8.575 21.698 1.00 11.30 ? 82 LEU A C 1 ATOM 392 O O . LEU A 1 58 ? -3.727 -9.560 20.973 1.00 10.96 ? 82 LEU A O 1 ATOM 393 C CB . LEU A 1 58 ? -3.290 -6.290 20.710 1.00 11.30 ? 82 LEU A CB 1 ATOM 394 C CG . LEU A 1 58 ? -3.814 -5.014 20.042 1.00 10.74 ? 82 LEU A CG 1 ATOM 395 C CD1 . LEU A 1 58 ? -2.668 -4.085 19.675 1.00 10.67 ? 82 LEU A CD1 1 ATOM 396 C CD2 . LEU A 1 58 ? -4.673 -5.330 18.809 1.00 9.92 ? 82 LEU A CD2 1 ATOM 397 N N . VAL A 1 59 ? -3.029 -8.571 22.875 1.00 11.14 ? 83 VAL A N 1 ATOM 398 C CA . VAL A 1 59 ? -2.402 -9.781 23.433 1.00 11.50 ? 83 VAL A CA 1 ATOM 399 C C . VAL A 1 59 ? -3.417 -10.900 23.661 1.00 11.61 ? 83 VAL A C 1 ATOM 400 O O . VAL A 1 59 ? -3.185 -12.047 23.258 1.00 11.11 ? 83 VAL A O 1 ATOM 401 C CB . VAL A 1 59 ? -1.615 -9.451 24.728 1.00 11.32 ? 83 VAL A CB 1 ATOM 402 C CG1 . VAL A 1 59 ? -1.176 -10.723 25.474 1.00 10.64 ? 83 VAL A CG1 1 ATOM 403 C CG2 . VAL A 1 59 ? -0.411 -8.596 24.369 1.00 11.27 ? 83 VAL A CG2 1 ATOM 404 N N . LEU A 1 60 ? -4.543 -10.564 24.282 1.00 11.89 ? 84 LEU A N 1 ATOM 405 C CA . LEU A 1 60 ? -5.600 -11.548 24.498 1.00 12.48 ? 84 LEU A CA 1 ATOM 406 C C . LEU A 1 60 ? -6.240 -12.081 23.216 1.00 12.84 ? 84 LEU A C 1 ATOM 407 O O . LEU A 1 60 ? -6.553 -13.271 23.143 1.00 13.11 ? 84 LEU A O 1 ATOM 408 C CB . LEU A 1 60 ? -6.653 -11.042 25.480 1.00 12.44 ? 84 LEU A CB 1 ATOM 409 C CG . LEU A 1 60 ? -6.428 -11.522 26.920 1.00 12.55 ? 84 LEU A CG 1 ATOM 410 C CD1 . LEU A 1 60 ? -6.730 -13.033 27.085 1.00 14.24 ? 84 LEU A CD1 1 ATOM 411 C CD2 . LEU A 1 60 ? -5.039 -11.200 27.457 1.00 14.72 ? 84 LEU A CD2 1 ATOM 412 N N . LYS A 1 61 ? -6.412 -11.232 22.207 1.00 13.45 ? 85 LYS A N 1 ATOM 413 C CA . LYS A 1 61 ? -6.906 -11.714 20.907 1.00 14.04 ? 85 LYS A CA 1 ATOM 414 C C . LYS A 1 61 ? -5.983 -12.797 20.354 1.00 13.97 ? 85 LYS A C 1 ATOM 415 O O . LYS A 1 61 ? -6.454 -13.819 19.845 1.00 14.12 ? 85 LYS A O 1 ATOM 416 C CB . LYS A 1 61 ? -7.064 -10.568 19.892 1.00 14.21 ? 85 LYS A CB 1 ATOM 417 C CG . LYS A 1 61 ? -7.607 -10.995 18.499 1.00 13.64 ? 85 LYS A CG 1 ATOM 418 C CD . LYS A 1 61 ? -8.934 -11.758 18.604 1.00 14.82 ? 85 LYS A CD 1 ATOM 419 C CE . LYS A 1 61 ? -9.665 -11.871 17.264 1.00 16.29 ? 85 LYS A CE 1 ATOM 420 N NZ . LYS A 1 61 ? -8.877 -12.559 16.184 1.00 14.96 ? 85 LYS A NZ 1 ATOM 421 N N . THR A 1 62 ? -4.674 -12.564 20.467 1.00 14.20 ? 86 THR A N 1 ATOM 422 C CA . THR A 1 62 ? -3.669 -13.522 20.028 1.00 14.34 ? 86 THR A CA 1 ATOM 423 C C . THR A 1 62 ? -3.820 -14.820 20.825 1.00 13.70 ? 86 THR A C 1 ATOM 424 O O . THR A 1 62 ? -3.915 -15.892 20.244 1.00 13.34 ? 86 THR A O 1 ATOM 425 C CB . THR A 1 62 ? -2.229 -12.962 20.182 1.00 14.49 ? 86 THR A CB 1 ATOM 426 O OG1 . THR A 1 62 ? -2.089 -11.777 19.395 1.00 16.93 ? 86 THR A OG1 1 ATOM 427 C CG2 . THR A 1 62 ? -1.196 -13.985 19.730 1.00 14.90 ? 86 THR A CG2 1 ATOM 428 N N . LEU A 1 63 ? -3.878 -14.708 22.152 1.00 13.24 ? 87 LEU A N 1 ATOM 429 C CA . LEU A 1 63 ? -4.028 -15.876 23.006 1.00 12.88 ? 87 LEU A CA 1 ATOM 430 C C . LEU A 1 63 ? -5.316 -16.635 22.739 1.00 12.50 ? 87 LEU A C 1 ATOM 431 O O . LEU A 1 63 ? -5.306 -17.863 22.714 1.00 12.05 ? 87 LEU A O 1 ATOM 432 C CB . LEU A 1 63 ? -3.947 -15.507 24.494 1.00 12.30 ? 87 LEU A CB 1 ATOM 433 C CG . LEU A 1 63 ? -2.637 -14.894 24.987 1.00 13.31 ? 87 LEU A CG 1 ATOM 434 C CD1 . LEU A 1 63 ? -2.677 -14.757 26.488 1.00 13.21 ? 87 LEU A CD1 1 ATOM 435 C CD2 . LEU A 1 63 ? -1.413 -15.701 24.546 1.00 12.80 ? 87 LEU A CD2 1 ATOM 436 N N . VAL A 1 64 ? -6.420 -15.911 22.557 1.00 12.44 ? 88 VAL A N 1 ATOM 437 C CA . VAL A 1 64 ? -7.700 -16.556 22.251 1.00 13.00 ? 88 VAL A CA 1 ATOM 438 C C . VAL A 1 64 ? -7.611 -17.305 20.918 1.00 12.92 ? 88 VAL A C 1 ATOM 439 O O . VAL A 1 64 ? -8.114 -18.435 20.804 1.00 12.81 ? 88 VAL A O 1 ATOM 440 C CB . VAL A 1 64 ? -8.895 -15.559 22.291 1.00 12.92 ? 88 VAL A CB 1 ATOM 441 C CG1 . VAL A 1 64 ? -10.187 -16.202 21.757 1.00 13.54 ? 88 VAL A CG1 1 ATOM 442 C CG2 . VAL A 1 64 ? -9.119 -15.080 23.717 1.00 13.66 ? 88 VAL A CG2 1 ATOM 443 N N . ASP A 1 65 ? -6.939 -16.705 19.935 1.00 12.64 ? 89 ASP A N 1 ATOM 444 C CA . ASP A 1 65 ? -6.777 -17.357 18.633 1.00 13.29 ? 89 ASP A CA 1 ATOM 445 C C . ASP A 1 65 ? -5.925 -18.643 18.720 1.00 12.92 ? 89 ASP A C 1 ATOM 446 O O . ASP A 1 65 ? -6.255 -19.657 18.098 1.00 12.52 ? 89 ASP A O 1 ATOM 447 C CB . ASP A 1 65 ? -6.249 -16.378 17.575 1.00 13.50 ? 89 ASP A CB 1 ATOM 448 C CG . ASP A 1 65 ? -7.291 -15.332 17.163 1.00 15.15 ? 89 ASP A CG 1 ATOM 449 O OD1 . ASP A 1 65 ? -8.492 -15.536 17.426 1.00 16.58 ? 89 ASP A OD1 1 ATOM 450 O OD2 . ASP A 1 65 ? -6.906 -14.293 16.583 1.00 17.79 ? 89 ASP A OD2 1 ATOM 451 N N . LEU A 1 66 ? -4.853 -18.598 19.510 1.00 12.70 ? 90 LEU A N 1 ATOM 452 C CA . LEU A 1 66 ? -4.021 -19.785 19.767 1.00 12.45 ? 90 LEU A CA 1 ATOM 453 C C . LEU A 1 66 ? -4.803 -20.874 20.511 1.00 12.53 ? 90 LEU A C 1 ATOM 454 O O . LEU A 1 66 ? -4.729 -22.050 20.147 1.00 11.52 ? 90 LEU A O 1 ATOM 455 C CB . LEU A 1 66 ? -2.770 -19.418 20.581 1.00 12.53 ? 90 LEU A CB 1 ATOM 456 C CG . LEU A 1 66 ? -1.731 -18.439 20.012 1.00 12.76 ? 90 LEU A CG 1 ATOM 457 C CD1 . LEU A 1 66 ? -0.567 -18.283 20.996 1.00 13.17 ? 90 LEU A CD1 1 ATOM 458 C CD2 . LEU A 1 66 ? -1.234 -18.878 18.644 1.00 13.14 ? 90 LEU A CD2 1 ATOM 459 N N . PHE A 1 67 ? -5.534 -20.458 21.550 1.00 12.39 ? 91 PHE A N 1 ATOM 460 C CA . PHE A 1 67 ? -6.418 -21.326 22.329 1.00 12.76 ? 91 PHE A CA 1 ATOM 461 C C . PHE A 1 67 ? -7.449 -22.043 21.445 1.00 13.10 ? 91 PHE A C 1 ATOM 462 O O . PHE A 1 67 ? -7.659 -23.265 21.570 1.00 12.80 ? 91 PHE A O 1 ATOM 463 C CB . PHE A 1 67 ? -7.109 -20.489 23.425 1.00 12.90 ? 91 PHE A CB 1 ATOM 464 C CG . PHE A 1 67 ? -8.241 -21.195 24.128 1.00 13.68 ? 91 PHE A CG 1 ATOM 465 C CD1 . PHE A 1 67 ? -7.987 -22.078 25.182 1.00 13.95 ? 91 PHE A CD1 1 ATOM 466 C CD2 . PHE A 1 67 ? -9.557 -20.963 23.750 1.00 13.54 ? 91 PHE A CD2 1 ATOM 467 C CE1 . PHE A 1 67 ? -9.028 -22.729 25.839 1.00 14.65 ? 91 PHE A CE1 1 ATOM 468 C CE2 . PHE A 1 67 ? -10.608 -21.605 24.398 1.00 15.59 ? 91 PHE A CE2 1 ATOM 469 C CZ . PHE A 1 67 ? -10.342 -22.494 25.451 1.00 14.93 ? 91 PHE A CZ 1 ATOM 470 N N . ARG A 1 68 ? -8.076 -21.280 20.551 1.00 13.53 ? 92 ARG A N 1 ATOM 471 C CA . ARG A 1 68 ? -9.118 -21.796 19.654 1.00 14.12 ? 92 ARG A CA 1 ATOM 472 C C . ARG A 1 68 ? -8.574 -22.727 18.575 1.00 14.48 ? 92 ARG A C 1 ATOM 473 O O . ARG A 1 68 ? -9.308 -23.571 18.044 1.00 14.20 ? 92 ARG A O 1 ATOM 474 C CB . ARG A 1 68 ? -9.898 -20.650 19.022 1.00 13.88 ? 92 ARG A CB 1 ATOM 475 C CG . ARG A 1 68 ? -10.779 -19.902 20.008 1.00 14.97 ? 92 ARG A CG 1 ATOM 476 C CD . ARG A 1 68 ? -11.558 -18.812 19.310 1.00 14.89 ? 92 ARG A CD 1 ATOM 477 N NE . ARG A 1 68 ? -12.704 -19.350 18.582 1.00 16.00 ? 92 ARG A NE 1 ATOM 478 C CZ . ARG A 1 68 ? -13.535 -18.618 17.844 1.00 16.33 ? 92 ARG A CZ 1 ATOM 479 N NH1 . ARG A 1 68 ? -13.340 -17.306 17.723 1.00 15.02 ? 92 ARG A NH1 1 ATOM 480 N NH2 . ARG A 1 68 ? -14.555 -19.201 17.221 1.00 16.79 ? 92 ARG A NH2 1 ATOM 481 N N . ASN A 1 69 ? -7.290 -22.570 18.261 1.00 14.95 ? 93 ASN A N 1 ATOM 482 C CA . ASN A 1 69 ? -6.599 -23.443 17.319 1.00 15.93 ? 93 ASN A CA 1 ATOM 483 C C . ASN A 1 69 ? -6.011 -24.692 17.975 1.00 15.40 ? 93 ASN A C 1 ATOM 484 O O . ASN A 1 69 ? -5.322 -25.470 17.315 1.00 15.67 ? 93 ASN A O 1 ATOM 485 C CB . ASN A 1 69 ? -5.495 -22.682 16.579 1.00 16.84 ? 93 ASN A CB 1 ATOM 486 C CG . ASN A 1 69 ? -6.037 -21.751 15.519 1.00 20.11 ? 93 ASN A CG 1 ATOM 487 O OD1 . ASN A 1 69 ? -7.029 -22.055 14.842 1.00 23.31 ? 93 ASN A OD1 1 ATOM 488 N ND2 . ASN A 1 69 ? -5.384 -20.602 15.360 1.00 23.09 ? 93 ASN A ND2 1 ATOM 489 N N . GLY A 1 70 ? -6.269 -24.874 19.268 1.00 14.29 ? 94 GLY A N 1 ATOM 490 C CA . GLY A 1 70 ? -5.855 -26.096 19.950 1.00 13.71 ? 94 GLY A CA 1 ATOM 491 C C . GLY A 1 70 ? -4.981 -25.948 21.185 1.00 13.40 ? 94 GLY A C 1 ATOM 492 O O . GLY A 1 70 ? -4.748 -26.936 21.887 1.00 13.47 ? 94 GLY A O 1 ATOM 493 N N . ASP A 1 71 ? -4.505 -24.734 21.466 1.00 12.99 ? 95 ASP A N 1 ATOM 494 C CA . ASP A 1 71 ? -3.629 -24.501 22.627 1.00 13.06 ? 95 ASP A CA 1 ATOM 495 C C . ASP A 1 71 ? -4.496 -24.324 23.879 1.00 12.78 ? 95 ASP A C 1 ATOM 496 O O . ASP A 1 71 ? -4.587 -23.237 24.450 1.00 11.59 ? 95 ASP A O 1 ATOM 497 C CB . ASP A 1 71 ? -2.712 -23.296 22.392 1.00 13.30 ? 95 ASP A CB 1 ATOM 498 C CG . ASP A 1 71 ? -1.542 -23.220 23.389 1.00 14.49 ? 95 ASP A CG 1 ATOM 499 O OD1 . ASP A 1 71 ? -1.486 -24.002 24.367 1.00 14.93 ? 95 ASP A OD1 1 ATOM 500 O OD2 . ASP A 1 71 ? -0.677 -22.343 23.192 1.00 15.01 ? 95 ASP A OD2 1 ATOM 501 N N . THR A 1 72 ? -5.109 -25.421 24.312 1.00 12.63 ? 96 THR A N 1 ATOM 502 C CA . THR A 1 72 ? -6.180 -25.365 25.318 1.00 13.56 ? 96 THR A CA 1 ATOM 503 C C . THR A 1 72 ? -5.734 -24.977 26.732 1.00 13.16 ? 96 THR A C 1 ATOM 504 O O . THR A 1 72 ? -6.554 -24.526 27.530 1.00 13.20 ? 96 THR A O 1 ATOM 505 C CB . THR A 1 72 ? -6.971 -26.692 25.379 1.00 14.00 ? 96 THR A CB 1 ATOM 506 O OG1 . THR A 1 72 ? -6.061 -27.768 25.591 1.00 14.60 ? 96 THR A OG1 1 ATOM 507 C CG2 . THR A 1 72 ? -7.702 -26.936 24.068 1.00 15.78 ? 96 THR A CG2 1 ATOM 508 N N . SER A 1 73 ? -4.447 -25.141 27.037 1.00 13.01 ? 97 SER A N 1 ATOM 509 C CA . SER A 1 73 ? -3.920 -24.805 28.363 1.00 13.20 ? 97 SER A CA 1 ATOM 510 C C . SER A 1 73 ? -3.918 -23.293 28.659 1.00 13.28 ? 97 SER A C 1 ATOM 511 O O . SER A 1 73 ? -3.692 -22.868 29.802 1.00 12.99 ? 97 SER A O 1 ATOM 512 C CB . SER A 1 73 ? -2.521 -25.389 28.532 1.00 13.38 ? 97 SER A CB 1 ATOM 513 O OG . SER A 1 73 ? -2.569 -26.817 28.463 1.00 15.39 ? 97 SER A OG 1 ATOM 514 N N . LEU A 1 74 ? -4.181 -22.489 27.632 1.00 13.10 ? 98 LEU A N 1 ATOM 515 C CA . LEU A 1 74 ? -4.328 -21.043 27.799 1.00 13.45 ? 98 LEU A CA 1 ATOM 516 C C . LEU A 1 74 ? -5.664 -20.662 28.449 1.00 13.72 ? 98 LEU A C 1 ATOM 517 O O . LEU A 1 74 ? -5.901 -19.484 28.747 1.00 14.02 ? 98 LEU A O 1 ATOM 518 C CB . LEU A 1 74 ? -4.176 -20.319 26.445 1.00 13.36 ? 98 LEU A CB 1 ATOM 519 C CG . LEU A 1 74 ? -2.822 -20.424 25.726 1.00 13.35 ? 98 LEU A CG 1 ATOM 520 C CD1 . LEU A 1 74 ? -2.936 -19.833 24.315 1.00 11.80 ? 98 LEU A CD1 1 ATOM 521 C CD2 . LEU A 1 74 ? -1.688 -19.749 26.521 1.00 12.55 ? 98 LEU A CD2 1 ATOM 522 N N . LEU A 1 75 ? -6.522 -21.654 28.686 1.00 13.97 ? 99 LEU A N 1 ATOM 523 C CA . LEU A 1 75 ? -7.855 -21.408 29.258 1.00 14.40 ? 99 LEU A CA 1 ATOM 524 C C . LEU A 1 75 ? -7.868 -20.488 30.497 1.00 14.35 ? 99 LEU A C 1 ATOM 525 O O . LEU A 1 75 ? -8.563 -19.470 30.494 1.00 14.88 ? 99 LEU A O 1 ATOM 526 C CB . LEU A 1 75 ? -8.593 -22.724 29.552 1.00 14.50 ? 99 LEU A CB 1 ATOM 527 C CG . LEU A 1 75 ? -10.005 -22.577 30.142 1.00 14.93 ? 99 LEU A CG 1 ATOM 528 C CD1 . LEU A 1 75 ? -10.997 -21.990 29.145 1.00 14.91 ? 99 LEU A CD1 1 ATOM 529 C CD2 . LEU A 1 75 ? -10.520 -23.907 30.689 1.00 14.80 ? 99 LEU A CD2 1 ATOM 530 N N . SER A 1 76 ? -7.106 -20.828 31.535 1.00 14.49 ? 100 SER A N 1 ATOM 531 C CA . SER A 1 76 ? -7.161 -20.059 32.790 1.00 14.80 ? 100 SER A CA 1 ATOM 532 C C . SER A 1 76 ? -6.674 -18.620 32.612 1.00 14.71 ? 100 SER A C 1 ATOM 533 O O . SER A 1 76 ? -7.222 -17.710 33.239 1.00 14.67 ? 100 SER A O 1 ATOM 534 C CB . SER A 1 76 ? -6.417 -20.753 33.938 1.00 15.07 ? 100 SER A CB 1 ATOM 535 O OG . SER A 1 76 ? -5.067 -20.980 33.591 1.00 16.93 ? 100 SER A OG 1 ATOM 536 N N . THR A 1 77 ? -5.677 -18.417 31.747 1.00 14.27 ? 101 THR A N 1 ATOM 537 C CA . THR A 1 77 ? -5.189 -17.071 31.421 1.00 14.40 ? 101 THR A CA 1 ATOM 538 C C . THR A 1 77 ? -6.321 -16.207 30.847 1.00 13.82 ? 101 THR A C 1 ATOM 539 O O . THR A 1 77 ? -6.527 -15.077 31.281 1.00 14.19 ? 101 THR A O 1 ATOM 540 C CB . THR A 1 77 ? -3.988 -17.112 30.441 1.00 14.46 ? 101 THR A CB 1 ATOM 541 O OG1 . THR A 1 77 ? -2.884 -17.786 31.058 1.00 15.24 ? 101 THR A OG1 1 ATOM 542 C CG2 . THR A 1 77 ? -3.555 -15.706 30.060 1.00 14.55 ? 101 THR A CG2 1 ATOM 543 N N . ILE A 1 78 ? -7.055 -16.759 29.887 1.00 13.52 ? 102 ILE A N 1 ATOM 544 C CA . ILE A 1 78 ? -8.182 -16.078 29.262 1.00 13.16 ? 102 ILE A CA 1 ATOM 545 C C . ILE A 1 78 ? -9.293 -15.796 30.285 1.00 13.48 ? 102 ILE A C 1 ATOM 546 O O . ILE A 1 78 ? -9.775 -14.659 30.396 1.00 12.90 ? 102 ILE A O 1 ATOM 547 C CB . ILE A 1 78 ? -8.727 -16.875 28.061 1.00 13.20 ? 102 ILE A CB 1 ATOM 548 C CG1 . ILE A 1 78 ? -7.631 -17.035 26.996 1.00 12.87 ? 102 ILE A CG1 1 ATOM 549 C CG2 . ILE A 1 78 ? -9.972 -16.198 27.489 1.00 13.33 ? 102 ILE A CG2 1 ATOM 550 C CD1 . ILE A 1 78 ? -7.918 -18.096 25.932 1.00 12.97 ? 102 ILE A CD1 1 ATOM 551 N N . GLU A 1 79 ? -9.667 -16.825 31.039 1.00 13.31 ? 103 GLU A N 1 ATOM 552 C CA . GLU A 1 79 ? -10.652 -16.682 32.106 1.00 13.75 ? 103 GLU A CA 1 ATOM 553 C C . GLU A 1 79 ? -10.258 -15.579 33.092 1.00 13.54 ? 103 GLU A C 1 ATOM 554 O O . GLU A 1 79 ? -11.105 -14.785 33.492 1.00 14.15 ? 103 GLU A O 1 ATOM 555 C CB . GLU A 1 79 ? -10.856 -18.007 32.841 1.00 13.02 ? 103 GLU A CB 1 ATOM 556 C CG . GLU A 1 79 ? -11.606 -19.048 32.015 1.00 13.50 ? 103 GLU A CG 1 ATOM 557 C CD . GLU A 1 79 ? -11.770 -20.382 32.716 1.00 14.95 ? 103 GLU A CD 1 ATOM 558 O OE1 . GLU A 1 79 ? -10.962 -20.721 33.628 1.00 15.95 ? 103 GLU A OE1 1 ATOM 559 O OE2 . GLU A 1 79 ? -12.709 -21.107 32.325 1.00 14.82 ? 103 GLU A OE2 1 ATOM 560 N N . ASN A 1 80 ? -8.980 -15.550 33.476 1.00 13.11 ? 104 ASN A N 1 ATOM 561 C CA . ASN A 1 80 ? -8.455 -14.551 34.407 1.00 13.15 ? 104 ASN A CA 1 ATOM 562 C C . ASN A 1 80 ? -8.585 -13.129 33.836 1.00 12.95 ? 104 ASN A C 1 ATOM 563 O O . ASN A 1 80 ? -8.992 -12.207 34.542 1.00 12.92 ? 104 ASN A O 1 ATOM 564 C CB . ASN A 1 80 ? -6.987 -14.851 34.764 1.00 13.35 ? 104 ASN A CB 1 ATOM 565 C CG . ASN A 1 80 ? -6.820 -16.083 35.674 1.00 13.99 ? 104 ASN A CG 1 ATOM 566 O OD1 . ASN A 1 80 ? -7.783 -16.616 36.221 1.00 14.70 ? 104 ASN A OD1 1 ATOM 567 N ND2 . ASN A 1 80 ? -5.578 -16.528 35.830 1.00 12.74 ? 104 ASN A ND2 1 ATOM 568 N N . TYR A 1 81 ? -8.237 -12.963 32.557 1.00 12.20 ? 105 TYR A N 1 ATOM 569 C CA . TYR A 1 81 ? -8.426 -11.695 31.849 1.00 11.82 ? 105 TYR A CA 1 ATOM 570 C C . TYR A 1 81 ? -9.874 -11.216 31.925 1.00 11.99 ? 105 TYR A C 1 ATOM 571 O O . TYR A 1 81 ? -10.132 -10.052 32.266 1.00 11.52 ? 105 TYR A O 1 ATOM 572 C CB . TYR A 1 81 ? -7.997 -11.836 30.390 1.00 11.08 ? 105 TYR A CB 1 ATOM 573 C CG . TYR A 1 81 ? -8.285 -10.643 29.504 1.00 11.20 ? 105 TYR A CG 1 ATOM 574 C CD1 . TYR A 1 81 ? -7.485 -9.498 29.566 1.00 9.85 ? 105 TYR A CD1 1 ATOM 575 C CD2 . TYR A 1 81 ? -9.328 -10.674 28.563 1.00 10.81 ? 105 TYR A CD2 1 ATOM 576 C CE1 . TYR A 1 81 ? -7.721 -8.412 28.740 1.00 9.51 ? 105 TYR A CE1 1 ATOM 577 C CE2 . TYR A 1 81 ? -9.571 -9.582 27.727 1.00 10.75 ? 105 TYR A CE2 1 ATOM 578 C CZ . TYR A 1 81 ? -8.758 -8.457 27.825 1.00 9.45 ? 105 TYR A CZ 1 ATOM 579 O OH . TYR A 1 81 ? -8.979 -7.366 27.014 1.00 10.79 ? 105 TYR A OH 1 ATOM 580 N N . ILE A 1 82 ? -10.809 -12.110 31.600 1.00 11.89 ? 106 ILE A N 1 ATOM 581 C CA . ILE A 1 82 ? -12.245 -11.810 31.686 1.00 12.50 ? 106 ILE A CA 1 ATOM 582 C C . ILE A 1 82 ? -12.624 -11.289 33.083 1.00 12.44 ? 106 ILE A C 1 ATOM 583 O O . ILE A 1 82 ? -13.268 -10.244 33.206 1.00 12.17 ? 106 ILE A O 1 ATOM 584 C CB . ILE A 1 82 ? -13.129 -13.041 31.323 1.00 12.72 ? 106 ILE A CB 1 ATOM 585 C CG1 . ILE A 1 82 ? -12.917 -13.498 29.864 1.00 13.38 ? 106 ILE A CG1 1 ATOM 586 C CG2 . ILE A 1 82 ? -14.609 -12.769 31.625 1.00 12.46 ? 106 ILE A CG2 1 ATOM 587 C CD1 . ILE A 1 82 ? -13.368 -12.521 28.791 1.00 12.71 ? 106 ILE A CD1 1 ATOM 588 N N . SER A 1 83 ? -12.224 -12.023 34.120 1.00 12.59 ? 107 SER A N 1 ATOM 589 C CA . SER A 1 83 ? -12.437 -11.603 35.506 1.00 12.71 ? 107 SER A CA 1 ATOM 590 C C . SER A 1 83 ? -11.854 -10.228 35.801 1.00 12.56 ? 107 SER A C 1 ATOM 591 O O . SER A 1 83 ? -12.510 -9.404 36.448 1.00 12.63 ? 107 SER A O 1 ATOM 592 C CB . SER A 1 83 ? -11.838 -12.617 36.486 1.00 12.93 ? 107 SER A CB 1 ATOM 593 O OG . SER A 1 83 ? -12.628 -13.784 36.539 1.00 13.97 ? 107 SER A OG 1 ATOM 594 N N . ALA A 1 84 ? -10.620 -9.991 35.346 1.00 12.17 ? 108 ALA A N 1 ATOM 595 C CA . ALA A 1 84 ? -9.934 -8.716 35.572 1.00 11.69 ? 108 ALA A CA 1 ATOM 596 C C . ALA A 1 84 ? -10.697 -7.564 34.934 1.00 11.47 ? 108 ALA A C 1 ATOM 597 O O . ALA A 1 84 ? -10.848 -6.498 35.540 1.00 10.88 ? 108 ALA A O 1 ATOM 598 C CB . ALA A 1 84 ? -8.500 -8.762 35.019 1.00 11.74 ? 108 ALA A CB 1 ATOM 599 N N . GLN A 1 85 ? -11.167 -7.788 33.707 1.00 10.74 ? 109 GLN A N 1 ATOM 600 C CA . GLN A 1 85 ? -11.837 -6.753 32.945 1.00 10.70 ? 109 GLN A CA 1 ATOM 601 C C . GLN A 1 85 ? -13.196 -6.359 33.527 1.00 10.91 ? 109 GLN A C 1 ATOM 602 O O . GLN A 1 85 ? -13.620 -5.218 33.374 1.00 10.54 ? 109 GLN A O 1 ATOM 603 C CB . GLN A 1 85 ? -11.942 -7.139 31.470 1.00 10.64 ? 109 GLN A CB 1 ATOM 604 C CG . GLN A 1 85 ? -10.574 -7.283 30.772 1.00 9.22 ? 109 GLN A CG 1 ATOM 605 C CD . GLN A 1 85 ? -9.626 -6.138 31.084 1.00 9.77 ? 109 GLN A CD 1 ATOM 606 O OE1 . GLN A 1 85 ? -9.959 -4.966 30.900 1.00 8.51 ? 109 GLN A OE1 1 ATOM 607 N NE2 . GLN A 1 85 ? -8.437 -6.474 31.574 1.00 10.84 ? 109 GLN A NE2 1 ATOM 608 N N . ALA A 1 86 ? -13.864 -7.297 34.200 1.00 10.80 ? 110 ALA A N 1 ATOM 609 C CA . ALA A 1 86 ? -15.078 -6.974 34.954 1.00 11.50 ? 110 ALA A CA 1 ATOM 610 C C . ALA A 1 86 ? -14.784 -5.890 35.990 1.00 11.73 ? 110 ALA A C 1 ATOM 611 O O . ALA A 1 86 ? -15.553 -4.932 36.131 1.00 12.44 ? 110 ALA A O 1 ATOM 612 C CB . ALA A 1 86 ? -15.648 -8.224 35.623 1.00 11.42 ? 110 ALA A CB 1 ATOM 613 N N . ILE A 1 87 ? -13.660 -6.044 36.686 1.00 11.78 ? 111 ILE A N 1 ATOM 614 C CA . ILE A 1 87 ? -13.171 -5.073 37.666 1.00 12.04 ? 111 ILE A CA 1 ATOM 615 C C . ILE A 1 87 ? -12.707 -3.781 36.972 1.00 11.92 ? 111 ILE A C 1 ATOM 616 O O . ILE A 1 87 ? -13.146 -2.696 37.325 1.00 12.05 ? 111 ILE A O 1 ATOM 617 C CB . ILE A 1 87 ? -12.033 -5.699 38.525 1.00 11.96 ? 111 ILE A CB 1 ATOM 618 C CG1 . ILE A 1 87 ? -12.606 -6.790 39.446 1.00 12.44 ? 111 ILE A CG1 1 ATOM 619 C CG2 . ILE A 1 87 ? -11.265 -4.638 39.318 1.00 11.82 ? 111 ILE A CG2 1 ATOM 620 C CD1 . ILE A 1 87 ? -11.563 -7.652 40.139 1.00 12.92 ? 111 ILE A CD1 1 ATOM 621 N N . VAL A 1 88 ? -11.830 -3.916 35.977 1.00 11.76 ? 112 VAL A N 1 ATOM 622 C CA . VAL A 1 88 ? -11.231 -2.769 35.274 1.00 11.53 ? 112 VAL A CA 1 ATOM 623 C C . VAL A 1 88 ? -12.264 -1.792 34.680 1.00 11.60 ? 112 VAL A C 1 ATOM 624 O O . VAL A 1 88 ? -12.141 -0.567 34.846 1.00 12.12 ? 112 VAL A O 1 ATOM 625 C CB . VAL A 1 88 ? -10.201 -3.244 34.205 1.00 10.80 ? 112 VAL A CB 1 ATOM 626 C CG1 . VAL A 1 88 ? -9.778 -2.085 33.276 1.00 11.53 ? 112 VAL A CG1 1 ATOM 627 C CG2 . VAL A 1 88 ? -8.976 -3.838 34.900 1.00 10.53 ? 112 VAL A CG2 1 ATOM 628 N N . GLN A 1 89 ? -13.281 -2.337 34.013 1.00 11.50 ? 113 GLN A N 1 ATOM 629 C CA . GLN A 1 89 ? -14.374 -1.547 33.442 1.00 11.66 ? 113 GLN A CA 1 ATOM 630 C C . GLN A 1 89 ? -15.039 -0.599 34.449 1.00 12.37 ? 113 GLN A C 1 ATOM 631 O O . GLN A 1 89 ? -15.562 0.451 34.061 1.00 11.65 ? 113 GLN A O 1 ATOM 632 C CB . GLN A 1 89 ? -15.458 -2.457 32.859 1.00 11.52 ? 113 GLN A CB 1 ATOM 633 C CG . GLN A 1 89 ? -15.132 -3.068 31.501 1.00 11.07 ? 113 GLN A CG 1 ATOM 634 C CD . GLN A 1 89 ? -16.308 -3.817 30.896 1.00 11.29 ? 113 GLN A CD 1 ATOM 635 O OE1 . GLN A 1 89 ? -17.295 -4.118 31.572 1.00 12.57 ? 113 GLN A OE1 1 ATOM 636 N NE2 . GLN A 1 89 ? -16.204 -4.124 29.617 1.00 11.11 ? 113 GLN A NE2 1 ATOM 637 N N . GLY A 1 90 ? -15.021 -0.983 35.725 1.00 12.34 ? 114 GLY A N 1 ATOM 638 C CA . GLY A 1 90 ? -15.727 -0.244 36.770 1.00 13.05 ? 114 GLY A CA 1 ATOM 639 C C . GLY A 1 90 ? -14.895 0.772 37.531 1.00 13.52 ? 114 GLY A C 1 ATOM 640 O O . GLY A 1 90 ? -15.429 1.506 38.365 1.00 13.32 ? 114 GLY A O 1 ATOM 641 N N . ILE A 1 91 ? -13.594 0.810 37.248 1.00 13.66 ? 115 ILE A N 1 ATOM 642 C CA . ILE A 1 91 ? -12.688 1.744 37.893 1.00 13.98 ? 115 ILE A CA 1 ATOM 643 C C . ILE A 1 91 ? -13.006 3.155 37.405 1.00 14.15 ? 115 ILE A C 1 ATOM 644 O O . ILE A 1 91 ? -12.823 3.455 36.228 1.00 14.49 ? 115 ILE A O 1 ATOM 645 C CB . ILE A 1 91 ? -11.205 1.430 37.574 1.00 14.17 ? 115 ILE A CB 1 ATOM 646 C CG1 . ILE A 1 91 ? -10.824 0.024 38.068 1.00 12.75 ? 115 ILE A CG1 1 ATOM 647 C CG2 . ILE A 1 91 ? -10.274 2.513 38.177 1.00 13.81 ? 115 ILE A CG2 1 ATOM 648 C CD1 . ILE A 1 91 ? -9.488 -0.442 37.583 1.00 11.49 ? 115 ILE A CD1 1 ATOM 649 N N . SER A 1 92 ? -13.517 3.999 38.297 1.00 13.90 ? 116 SER A N 1 ATOM 650 C CA . SER A 1 92 ? -13.635 5.426 37.987 1.00 14.04 ? 116 SER A CA 1 ATOM 651 C C . SER A 1 92 ? -12.233 5.990 37.827 1.00 13.40 ? 116 SER A C 1 ATOM 652 O O . SER A 1 92 ? -11.362 5.750 38.664 1.00 13.26 ? 116 SER A O 1 ATOM 653 C CB . SER A 1 92 ? -14.398 6.174 39.078 1.00 14.34 ? 116 SER A CB 1 ATOM 654 O OG . SER A 1 92 ? -15.773 5.824 39.048 1.00 17.05 ? 116 SER A OG 1 ATOM 655 N N . ASN A 1 93 ? -12.013 6.712 36.730 1.00 13.12 ? 117 ASN A N 1 ATOM 656 C CA . ASN A 1 93 ? -10.686 7.202 36.370 1.00 12.48 ? 117 ASN A CA 1 ATOM 657 C C . ASN A 1 93 ? -10.782 8.608 35.741 1.00 12.45 ? 117 ASN A C 1 ATOM 658 O O . ASN A 1 93 ? -11.880 9.123 35.575 1.00 11.93 ? 117 ASN A O 1 ATOM 659 C CB . ASN A 1 93 ? -10.012 6.199 35.424 1.00 12.48 ? 117 ASN A CB 1 ATOM 660 C CG . ASN A 1 93 ? -10.770 6.025 34.128 1.00 12.31 ? 117 ASN A CG 1 ATOM 661 O OD1 . ASN A 1 93 ? -10.838 6.946 33.321 1.00 12.93 ? 117 ASN A OD1 1 ATOM 662 N ND2 . ASN A 1 93 ? -11.338 4.838 33.915 1.00 11.45 ? 117 ASN A ND2 1 ATOM 663 N N . PRO A 1 94 ? -9.638 9.246 35.414 1.00 12.73 ? 118 PRO A N 1 ATOM 664 C CA . PRO A 1 94 ? -9.711 10.611 34.848 1.00 12.87 ? 118 PRO A CA 1 ATOM 665 C C . PRO A 1 94 ? -10.430 10.766 33.487 1.00 12.84 ? 118 PRO A C 1 ATOM 666 O O . PRO A 1 94 ? -10.748 11.892 33.088 1.00 12.97 ? 118 PRO A O 1 ATOM 667 C CB . PRO A 1 94 ? -8.236 11.032 34.756 1.00 12.82 ? 118 PRO A CB 1 ATOM 668 C CG . PRO A 1 94 ? -7.531 10.161 35.760 1.00 13.40 ? 118 PRO A CG 1 ATOM 669 C CD . PRO A 1 94 ? -8.242 8.834 35.639 1.00 12.64 ? 118 PRO A CD 1 ATOM 670 N N . SER A 1 95 ? -10.691 9.660 32.791 1.00 12.90 ? 119 SER A N 1 ATOM 671 C CA . SER A 1 95 ? -11.514 9.701 31.579 1.00 12.98 ? 119 SER A CA 1 ATOM 672 C C . SER A 1 95 ? -12.995 9.752 31.923 1.00 13.30 ? 119 SER A C 1 ATOM 673 O O . SER A 1 95 ? -13.799 10.254 31.136 1.00 13.67 ? 119 SER A O 1 ATOM 674 C CB . SER A 1 95 ? -11.243 8.492 30.665 1.00 12.86 ? 119 SER A CB 1 ATOM 675 O OG . SER A 1 95 ? -10.007 8.612 29.986 1.00 11.61 ? 119 SER A OG 1 ATOM 676 N N . GLY A 1 96 ? -13.355 9.221 33.091 1.00 13.51 ? 120 GLY A N 1 ATOM 677 C CA . GLY A 1 96 ? -14.756 9.181 33.533 1.00 13.21 ? 120 GLY A CA 1 ATOM 678 C C . GLY A 1 96 ? -15.084 7.895 34.280 1.00 13.25 ? 120 GLY A C 1 ATOM 679 O O . GLY A 1 96 ? -14.183 7.182 34.740 1.00 13.09 ? 120 GLY A O 1 ATOM 680 N N . ASP A 1 97 ? -16.377 7.602 34.396 1.00 13.06 ? 121 ASP A N 1 ATOM 681 C CA . ASP A 1 97 ? -16.851 6.410 35.103 1.00 13.17 ? 121 ASP A CA 1 ATOM 682 C C . ASP A 1 97 ? -17.539 5.445 34.144 1.00 13.23 ? 121 ASP A C 1 ATOM 683 O O . ASP A 1 97 ? -17.668 5.733 32.948 1.00 13.80 ? 121 ASP A O 1 ATOM 684 C CB . ASP A 1 97 ? -17.783 6.792 36.276 1.00 12.86 ? 121 ASP A CB 1 ATOM 685 C CG . ASP A 1 97 ? -19.110 7.420 35.828 0.50 12.29 ? 121 ASP A CG 1 ATOM 686 O OD1 . ASP A 1 97 ? -19.853 7.901 36.710 0.50 12.32 ? 121 ASP A OD1 1 ATOM 687 O OD2 . ASP A 1 97 ? -19.434 7.434 34.626 0.50 11.31 ? 121 ASP A OD2 1 ATOM 688 N N . LEU A 1 98 ? -17.988 4.309 34.673 1.00 13.38 ? 122 LEU A N 1 ATOM 689 C CA . LEU A 1 98 ? -18.727 3.330 33.887 1.00 13.49 ? 122 LEU A CA 1 ATOM 690 C C . LEU A 1 98 ? -20.144 3.796 33.537 1.00 13.58 ? 122 LEU A C 1 ATOM 691 O O . LEU A 1 98 ? -20.613 3.573 32.423 1.00 13.28 ? 122 LEU A O 1 ATOM 692 C CB . LEU A 1 98 ? -18.764 1.968 34.607 1.00 13.54 ? 122 LEU A CB 1 ATOM 693 C CG . LEU A 1 98 ? -19.493 0.813 33.905 1.00 13.12 ? 122 LEU A CG 1 ATOM 694 C CD1 . LEU A 1 98 ? -19.037 0.599 32.454 1.00 12.13 ? 122 LEU A CD1 1 ATOM 695 C CD2 . LEU A 1 98 ? -19.298 -0.450 34.704 1.00 13.26 ? 122 LEU A CD2 1 ATOM 696 N N . SER A 1 99 ? -20.824 4.449 34.476 1.00 14.03 ? 123 SER A N 1 ATOM 697 C CA . SER A 1 99 ? -22.221 4.841 34.258 1.00 14.50 ? 123 SER A CA 1 ATOM 698 C C . SER A 1 99 ? -22.444 5.719 33.019 1.00 14.31 ? 123 SER A C 1 ATOM 699 O O . SER A 1 99 ? -23.433 5.552 32.295 1.00 14.54 ? 123 SER A O 1 ATOM 700 C CB . SER A 1 99 ? -22.797 5.491 35.516 1.00 14.99 ? 123 SER A CB 1 ATOM 701 O OG . SER A 1 99 ? -22.780 4.551 36.578 1.00 17.23 ? 123 SER A OG 1 ATOM 702 N N . SER A 1 100 ? -21.520 6.643 32.777 1.00 14.11 ? 124 SER A N 1 ATOM 703 C CA . SER A 1 100 ? -21.569 7.505 31.595 1.00 14.21 ? 124 SER A CA 1 ATOM 704 C C . SER A 1 100 ? -20.910 6.822 30.398 1.00 13.56 ? 124 SER A C 1 ATOM 705 O O . SER A 1 100 ? -21.074 7.256 29.255 1.00 13.81 ? 124 SER A O 1 ATOM 706 C CB . SER A 1 100 ? -20.846 8.829 31.869 1.00 14.27 ? 124 SER A CB 1 ATOM 707 O OG . SER A 1 100 ? -19.435 8.640 31.838 1.00 14.93 ? 124 SER A OG 1 ATOM 708 N N . GLY A 1 101 ? -20.140 5.774 30.675 1.00 13.05 ? 125 GLY A N 1 ATOM 709 C CA . GLY A 1 101 ? -19.373 5.085 29.643 1.00 12.45 ? 125 GLY A CA 1 ATOM 710 C C . GLY A 1 101 ? -17.976 5.647 29.426 1.00 12.27 ? 125 GLY A C 1 ATOM 711 O O . GLY A 1 101 ? -17.081 4.931 28.982 1.00 11.82 ? 125 GLY A O 1 ATOM 712 N N . ALA A 1 102 ? -17.777 6.926 29.753 1.00 11.57 ? 126 ALA A N 1 ATOM 713 C CA . ALA A 1 102 ? -16.542 7.630 29.381 1.00 11.21 ? 126 ALA A CA 1 ATOM 714 C C . ALA A 1 102 ? -15.284 7.010 29.988 1.00 11.09 ? 126 ALA A C 1 ATOM 715 O O . ALA A 1 102 ? -14.211 7.074 29.390 1.00 11.25 ? 126 ALA A O 1 ATOM 716 C CB . ALA A 1 102 ? -16.644 9.117 29.733 1.00 11.22 ? 126 ALA A CB 1 ATOM 717 N N . GLY A 1 103 ? -15.425 6.408 31.169 1.00 10.58 ? 127 GLY A N 1 ATOM 718 C CA . GLY A 1 103 ? -14.317 5.728 31.840 1.00 10.45 ? 127 GLY A CA 1 ATOM 719 C C . GLY A 1 103 ? -13.675 4.606 31.034 1.00 10.23 ? 127 GLY A C 1 ATOM 720 O O . GLY A 1 103 ? -12.500 4.291 31.218 1.00 9.85 ? 127 GLY A O 1 ATOM 721 N N . LEU A 1 104 ? -14.439 4.029 30.115 1.00 10.22 ? 128 LEU A N 1 ATOM 722 C CA . LEU A 1 104 ? -13.945 2.908 29.307 1.00 9.87 ? 128 LEU A CA 1 ATOM 723 C C . LEU A 1 104 ? -12.865 3.357 28.307 1.00 9.37 ? 128 LEU A C 1 ATOM 724 O O . LEU A 1 104 ? -12.066 2.547 27.853 1.00 9.39 ? 128 LEU A O 1 ATOM 725 C CB . LEU A 1 104 ? -15.106 2.203 28.600 1.00 10.17 ? 128 LEU A CB 1 ATOM 726 C CG . LEU A 1 104 ? -16.199 1.645 29.523 1.00 10.22 ? 128 LEU A CG 1 ATOM 727 C CD1 . LEU A 1 104 ? -17.450 1.323 28.725 1.00 10.73 ? 128 LEU A CD1 1 ATOM 728 C CD2 . LEU A 1 104 ? -15.699 0.429 30.289 1.00 10.06 ? 128 LEU A CD2 1 ATOM 729 N N . GLY A 1 105 ? -12.831 4.654 27.995 1.00 9.50 ? 129 GLY A N 1 ATOM 730 C CA . GLY A 1 105 ? -11.801 5.217 27.119 1.00 8.44 ? 129 GLY A CA 1 ATOM 731 C C . GLY A 1 105 ? -10.430 5.431 27.744 1.00 8.53 ? 129 GLY A C 1 ATOM 732 O O . GLY A 1 105 ? -9.484 5.817 27.059 1.00 8.16 ? 129 GLY A O 1 ATOM 733 N N . GLU A 1 106 ? -10.309 5.168 29.040 1.00 8.58 ? 130 GLU A N 1 ATOM 734 C CA . GLU A 1 106 ? -9.031 5.315 29.739 1.00 8.86 ? 130 GLU A CA 1 ATOM 735 C C . GLU A 1 106 ? -7.951 4.440 29.101 1.00 9.18 ? 130 GLU A C 1 ATOM 736 O O . GLU A 1 106 ? -8.165 3.248 28.887 1.00 9.06 ? 130 GLU A O 1 ATOM 737 C CB . GLU A 1 106 ? -9.201 4.964 31.218 1.00 8.62 ? 130 GLU A CB 1 ATOM 738 C CG . GLU A 1 106 ? -7.925 5.126 32.077 1.00 9.25 ? 130 GLU A CG 1 ATOM 739 C CD . GLU A 1 106 ? -7.514 6.584 32.328 1.00 9.36 ? 130 GLU A CD 1 ATOM 740 O OE1 . GLU A 1 106 ? -8.014 7.505 31.639 1.00 9.74 ? 130 GLU A OE1 1 ATOM 741 O OE2 . GLU A 1 106 ? -6.666 6.808 33.219 1.00 10.18 ? 130 GLU A OE2 1 ATOM 742 N N . PRO A 1 107 ? -6.818 5.044 28.708 1.00 9.51 ? 131 PRO A N 1 ATOM 743 C CA . PRO A 1 107 ? -5.743 4.258 28.107 1.00 9.41 ? 131 PRO A CA 1 ATOM 744 C C . PRO A 1 107 ? -5.121 3.182 28.999 1.00 9.75 ? 131 PRO A C 1 ATOM 745 O O . PRO A 1 107 ? -4.978 2.048 28.546 1.00 9.75 ? 131 PRO A O 1 ATOM 746 C CB . PRO A 1 107 ? -4.709 5.316 27.713 1.00 9.81 ? 131 PRO A CB 1 ATOM 747 C CG . PRO A 1 107 ? -5.540 6.576 27.522 1.00 8.76 ? 131 PRO A CG 1 ATOM 748 C CD . PRO A 1 107 ? -6.518 6.485 28.669 1.00 9.85 ? 131 PRO A CD 1 ATOM 749 N N . LYS A 1 108 ? -4.746 3.534 30.228 1.00 9.49 ? 132 LYS A N 1 ATOM 750 C CA . LYS A 1 108 ? -3.977 2.624 31.075 1.00 10.01 ? 132 LYS A CA 1 ATOM 751 C C . LYS A 1 108 ? -4.380 2.691 32.534 1.00 9.95 ? 132 LYS A C 1 ATOM 752 O O . LYS A 1 108 ? -5.025 3.657 32.968 1.00 9.87 ? 132 LYS A O 1 ATOM 753 C CB . LYS A 1 108 ? -2.459 2.842 30.908 1.00 9.50 ? 132 LYS A CB 1 ATOM 754 C CG . LYS A 1 108 ? -1.899 4.114 31.551 1.00 9.93 ? 132 LYS A CG 1 ATOM 755 C CD . LYS A 1 108 ? -0.371 4.040 31.629 1.00 10.90 ? 132 LYS A CD 1 ATOM 756 C CE . LYS A 1 108 ? 0.220 5.273 32.297 1.00 12.27 ? 132 LYS A CE 1 ATOM 757 N NZ . LYS A 1 108 ? 1.702 5.143 32.449 1.00 13.00 ? 132 LYS A NZ 1 ATOM 758 N N . PHE A 1 109 ? -3.983 1.651 33.274 1.00 10.23 ? 133 PHE A N 1 ATOM 759 C CA . PHE A 1 109 ? -4.291 1.495 34.684 1.00 10.37 ? 133 PHE A CA 1 ATOM 760 C C . PHE A 1 109 ? -3.058 0.988 35.414 1.00 10.38 ? 133 PHE A C 1 ATOM 761 O O . PHE A 1 109 ? -2.156 0.408 34.810 1.00 9.85 ? 133 PHE A O 1 ATOM 762 C CB . PHE A 1 109 ? -5.434 0.482 34.882 1.00 10.59 ? 133 PHE A CB 1 ATOM 763 C CG . PHE A 1 109 ? -6.723 0.872 34.208 1.00 10.70 ? 133 PHE A CG 1 ATOM 764 C CD1 . PHE A 1 109 ? -6.947 0.574 32.862 1.00 10.38 ? 133 PHE A CD1 1 ATOM 765 C CD2 . PHE A 1 109 ? -7.712 1.529 34.918 1.00 10.60 ? 133 PHE A CD2 1 ATOM 766 C CE1 . PHE A 1 109 ? -8.138 0.947 32.231 1.00 11.94 ? 133 PHE A CE1 1 ATOM 767 C CE2 . PHE A 1 109 ? -8.912 1.898 34.298 1.00 11.60 ? 133 PHE A CE2 1 ATOM 768 C CZ . PHE A 1 109 ? -9.123 1.613 32.952 1.00 11.27 ? 133 PHE A CZ 1 ATOM 769 N N . ASN A 1 110 ? -3.024 1.197 36.723 1.00 10.89 ? 134 ASN A N 1 ATOM 770 C CA . ASN A 1 110 ? -2.031 0.537 37.548 1.00 11.27 ? 134 ASN A CA 1 ATOM 771 C C . ASN A 1 110 ? -2.309 -0.970 37.589 1.00 11.51 ? 134 ASN A C 1 ATOM 772 O O . ASN A 1 110 ? -3.462 -1.410 37.462 1.00 11.17 ? 134 ASN A O 1 ATOM 773 C CB . ASN A 1 110 ? -2.000 1.141 38.958 1.00 11.42 ? 134 ASN A CB 1 ATOM 774 C CG . ASN A 1 110 ? -1.529 2.595 38.962 1.00 12.88 ? 134 ASN A CG 1 ATOM 775 O OD1 . ASN A 1 110 ? -0.501 2.922 38.387 1.00 15.19 ? 134 ASN A OD1 1 ATOM 776 N ND2 . ASN A 1 110 ? -2.293 3.465 39.601 1.00 14.14 ? 134 ASN A ND2 1 ATOM 777 N N . VAL A 1 111 ? -1.252 -1.751 37.778 1.00 11.61 ? 135 VAL A N 1 ATOM 778 C CA . VAL A 1 111 ? -1.338 -3.217 37.665 1.00 12.59 ? 135 VAL A CA 1 ATOM 779 C C . VAL A 1 111 ? -2.113 -3.869 38.815 1.00 12.57 ? 135 VAL A C 1 ATOM 780 O O . VAL A 1 111 ? -2.436 -5.053 38.764 1.00 12.58 ? 135 VAL A O 1 ATOM 781 C CB . VAL A 1 111 ? 0.058 -3.862 37.524 1.00 11.93 ? 135 VAL A CB 1 ATOM 782 C CG1 . VAL A 1 111 ? 0.777 -3.319 36.289 1.00 13.59 ? 135 VAL A CG1 1 ATOM 783 C CG2 . VAL A 1 111 ? 0.898 -3.652 38.794 1.00 13.21 ? 135 VAL A CG2 1 ATOM 784 N N . ASP A 1 112 ? -2.389 -3.086 39.854 1.00 13.16 ? 136 ASP A N 1 ATOM 785 C CA . ASP A 1 112 ? -3.177 -3.548 40.987 1.00 13.24 ? 136 ASP A CA 1 ATOM 786 C C . ASP A 1 112 ? -4.641 -3.143 40.829 1.00 13.38 ? 136 ASP A C 1 ATOM 787 O O . ASP A 1 112 ? -5.384 -3.072 41.809 1.00 12.95 ? 136 ASP A O 1 ATOM 788 C CB . ASP A 1 112 ? -2.589 -3.002 42.294 1.00 13.32 ? 136 ASP A CB 1 ATOM 789 C CG . ASP A 1 112 ? -2.787 -1.492 42.451 1.00 14.33 ? 136 ASP A CG 1 ATOM 790 O OD1 . ASP A 1 112 ? -3.026 -0.780 41.436 1.00 14.49 ? 136 ASP A OD1 1 ATOM 791 O OD2 . ASP A 1 112 ? -2.704 -1.022 43.602 1.00 13.77 ? 136 ASP A OD2 1 ATOM 792 N N . GLU A 1 113 ? -5.050 -2.875 39.587 1.00 13.65 ? 137 GLU A N 1 ATOM 793 C CA . GLU A 1 113 ? -6.425 -2.486 39.280 1.00 14.27 ? 137 GLU A CA 1 ATOM 794 C C . GLU A 1 113 ? -6.862 -1.211 40.038 1.00 14.37 ? 137 GLU A C 1 ATOM 795 O O . GLU A 1 113 ? -7.914 -1.173 40.680 1.00 14.44 ? 137 GLU A O 1 ATOM 796 C CB . GLU A 1 113 ? -7.391 -3.670 39.503 1.00 14.38 ? 137 GLU A CB 1 ATOM 797 C CG . GLU A 1 113 ? -7.019 -4.906 38.649 1.00 15.13 ? 137 GLU A CG 1 ATOM 798 C CD . GLU A 1 113 ? -7.872 -6.144 38.921 1.00 15.75 ? 137 GLU A CD 1 ATOM 799 O OE1 . GLU A 1 113 ? -8.402 -6.291 40.041 1.00 15.98 ? 137 GLU A OE1 1 ATOM 800 O OE2 . GLU A 1 113 ? -8.007 -6.981 38.003 1.00 16.38 ? 137 GLU A OE2 1 ATOM 801 N N . THR A 1 114 ? -6.021 -0.184 39.967 1.00 14.16 ? 138 THR A N 1 ATOM 802 C CA . THR A 1 114 ? -6.380 1.153 40.445 1.00 14.30 ? 138 THR A CA 1 ATOM 803 C C . THR A 1 114 ? -6.167 2.160 39.309 1.00 14.38 ? 138 THR A C 1 ATOM 804 O O . THR A 1 114 ? -5.381 1.913 38.388 1.00 14.62 ? 138 THR A O 1 ATOM 805 C CB . THR A 1 114 ? -5.594 1.581 41.719 1.00 14.10 ? 138 THR A CB 1 ATOM 806 O OG1 . THR A 1 114 ? -4.188 1.617 41.454 1.00 13.85 ? 138 THR A OG1 1 ATOM 807 C CG2 . THR A 1 114 ? -5.863 0.639 42.886 1.00 14.36 ? 138 THR A CG2 1 ATOM 808 N N . ALA A 1 115 ? -6.882 3.277 39.358 1.00 14.39 ? 139 ALA A N 1 ATOM 809 C CA . ALA A 1 115 ? -6.734 4.314 38.336 1.00 14.38 ? 139 ALA A CA 1 ATOM 810 C C . ALA A 1 115 ? -5.312 4.888 38.319 1.00 13.99 ? 139 ALA A C 1 ATOM 811 O O . ALA A 1 115 ? -4.666 5.021 39.374 1.00 13.77 ? 139 ALA A O 1 ATOM 812 C CB . ALA A 1 115 ? -7.761 5.419 38.548 1.00 14.30 ? 139 ALA A CB 1 ATOM 813 N N . TYR A 1 116 ? -4.822 5.180 37.115 1.00 13.57 ? 140 TYR A N 1 ATOM 814 C CA . TYR A 1 116 ? -3.600 5.956 36.932 1.00 13.54 ? 140 TYR A CA 1 ATOM 815 C C . TYR A 1 116 ? -4.024 7.426 36.966 1.00 13.49 ? 140 TYR A C 1 ATOM 816 O O . TYR A 1 116 ? -4.793 7.875 36.122 1.00 13.08 ? 140 TYR A O 1 ATOM 817 C CB . TYR A 1 116 ? -2.899 5.616 35.605 1.00 13.81 ? 140 TYR A CB 1 ATOM 818 C CG . TYR A 1 116 ? -1.661 6.456 35.381 1.00 13.90 ? 140 TYR A CG 1 ATOM 819 C CD1 . TYR A 1 116 ? -0.457 6.135 36.012 1.00 12.82 ? 140 TYR A CD1 1 ATOM 820 C CD2 . TYR A 1 116 ? -1.700 7.603 34.574 1.00 14.13 ? 140 TYR A CD2 1 ATOM 821 C CE1 . TYR A 1 116 ? 0.681 6.908 35.827 1.00 14.36 ? 140 TYR A CE1 1 ATOM 822 C CE2 . TYR A 1 116 ? -0.559 8.390 34.388 1.00 14.07 ? 140 TYR A CE2 1 ATOM 823 C CZ . TYR A 1 116 ? 0.624 8.040 35.023 1.00 14.24 ? 140 TYR A CZ 1 ATOM 824 O OH . TYR A 1 116 ? 1.765 8.807 34.855 1.00 15.10 ? 140 TYR A OH 1 ATOM 825 N N . THR A 1 117 ? -3.542 8.167 37.954 1.00 13.52 ? 141 THR A N 1 ATOM 826 C CA . THR A 1 117 ? -4.084 9.509 38.194 1.00 14.01 ? 141 THR A CA 1 ATOM 827 C C . THR A 1 117 ? -3.313 10.649 37.523 1.00 13.37 ? 141 THR A C 1 ATOM 828 O O . THR A 1 117 ? -3.789 11.791 37.505 1.00 13.82 ? 141 THR A O 1 ATOM 829 C CB . THR A 1 117 ? -4.248 9.802 39.705 1.00 13.89 ? 141 THR A CB 1 ATOM 830 O OG1 . THR A 1 117 ? -2.995 9.621 40.371 1.00 15.23 ? 141 THR A OG1 1 ATOM 831 C CG2 . THR A 1 117 ? -5.285 8.876 40.323 1.00 15.77 ? 141 THR A CG2 1 ATOM 832 N N . GLY A 1 118 ? -2.139 10.347 36.978 1.00 13.02 ? 142 GLY A N 1 ATOM 833 C CA . GLY A 1 118 ? -1.305 11.366 36.336 1.00 12.12 ? 142 GLY A CA 1 ATOM 834 C C . GLY A 1 118 ? -1.884 11.806 34.998 1.00 11.67 ? 142 GLY A C 1 ATOM 835 O O . GLY A 1 118 ? -2.785 11.145 34.444 1.00 11.10 ? 142 GLY A O 1 ATOM 836 N N . SER A 1 119 ? -1.395 12.940 34.491 1.00 10.58 ? 143 SER A N 1 ATOM 837 C CA . SER A 1 119 ? -1.803 13.425 33.169 1.00 9.97 ? 143 SER A CA 1 ATOM 838 C C . SER A 1 119 ? -1.398 12.422 32.087 1.00 9.14 ? 143 SER A C 1 ATOM 839 O O . SER A 1 119 ? -0.372 11.750 32.207 1.00 8.29 ? 143 SER A O 1 ATOM 840 C CB . SER A 1 119 ? -1.182 14.797 32.879 1.00 9.85 ? 143 SER A CB 1 ATOM 841 O OG . SER A 1 119 ? 0.229 14.711 32.840 1.00 10.30 ? 143 SER A OG 1 ATOM 842 N N . TRP A 1 120 ? -2.197 12.356 31.025 1.00 9.18 ? 144 TRP A N 1 ATOM 843 C CA . TRP A 1 120 ? -2.017 11.365 29.976 1.00 9.45 ? 144 TRP A CA 1 ATOM 844 C C . TRP A 1 120 ? -2.816 11.728 28.731 1.00 8.86 ? 144 TRP A C 1 ATOM 845 O O . TRP A 1 120 ? -3.790 12.481 28.805 1.00 8.80 ? 144 TRP A O 1 ATOM 846 C CB . TRP A 1 120 ? -2.437 9.964 30.461 1.00 9.45 ? 144 TRP A CB 1 ATOM 847 C CG . TRP A 1 120 ? -1.719 8.858 29.719 1.00 10.22 ? 144 TRP A CG 1 ATOM 848 C CD1 . TRP A 1 120 ? -2.244 8.030 28.752 1.00 9.62 ? 144 TRP A CD1 1 ATOM 849 C CD2 . TRP A 1 120 ? -0.347 8.476 29.874 1.00 10.57 ? 144 TRP A CD2 1 ATOM 850 N NE1 . TRP A 1 120 ? -1.282 7.160 28.305 1.00 10.36 ? 144 TRP A NE1 1 ATOM 851 C CE2 . TRP A 1 120 ? -0.109 7.404 28.979 1.00 10.64 ? 144 TRP A CE2 1 ATOM 852 C CE3 . TRP A 1 120 ? 0.701 8.923 30.696 1.00 10.73 ? 144 TRP A CE3 1 ATOM 853 C CZ2 . TRP A 1 120 ? 1.145 6.778 28.869 1.00 10.24 ? 144 TRP A CZ2 1 ATOM 854 C CZ3 . TRP A 1 120 ? 1.953 8.303 30.589 1.00 10.19 ? 144 TRP A CZ3 1 ATOM 855 C CH2 . TRP A 1 120 ? 2.163 7.238 29.680 1.00 11.01 ? 144 TRP A CH2 1 ATOM 856 N N . GLY A 1 121 ? -2.391 11.184 27.592 1.00 9.00 ? 145 GLY A N 1 ATOM 857 C CA . GLY A 1 121 ? -3.132 11.329 26.346 1.00 9.51 ? 145 GLY A CA 1 ATOM 858 C C . GLY A 1 121 ? -4.389 10.473 26.384 1.00 10.06 ? 145 GLY A C 1 ATOM 859 O O . GLY A 1 121 ? -4.441 9.405 25.757 1.00 9.41 ? 145 GLY A O 1 ATOM 860 N N . ARG A 1 122 ? -5.386 10.953 27.131 1.00 10.05 ? 146 ARG A N 1 ATOM 861 C CA . ARG A 1 122 ? -6.683 10.279 27.307 1.00 10.38 ? 146 ARG A CA 1 ATOM 862 C C . ARG A 1 122 ? -7.805 11.172 26.804 1.00 10.29 ? 146 ARG A C 1 ATOM 863 O O . ARG A 1 122 ? -7.673 12.398 26.829 1.00 10.39 ? 146 ARG A O 1 ATOM 864 C CB . ARG A 1 122 ? -6.925 9.951 28.788 1.00 10.42 ? 146 ARG A CB 1 ATOM 865 C CG . ARG A 1 122 ? -6.793 11.146 29.732 1.00 11.00 ? 146 ARG A CG 1 ATOM 866 C CD . ARG A 1 122 ? -7.404 10.853 31.110 1.00 10.44 ? 146 ARG A CD 1 ATOM 867 N NE . ARG A 1 122 ? -6.653 9.862 31.880 1.00 10.55 ? 146 ARG A NE 1 ATOM 868 C CZ . ARG A 1 122 ? -5.609 10.148 32.662 1.00 12.45 ? 146 ARG A CZ 1 ATOM 869 N NH1 . ARG A 1 122 ? -5.179 11.407 32.774 1.00 10.33 ? 146 ARG A NH1 1 ATOM 870 N NH2 . ARG A 1 122 ? -4.994 9.179 33.338 1.00 10.46 ? 146 ARG A NH2 1 ATOM 871 N N . PRO A 1 123 ? -8.919 10.574 26.340 1.00 10.51 ? 147 PRO A N 1 ATOM 872 C CA . PRO A 1 123 ? -9.139 9.126 26.188 1.00 10.40 ? 147 PRO A CA 1 ATOM 873 C C . PRO A 1 123 ? -8.504 8.556 24.908 1.00 10.51 ? 147 PRO A C 1 ATOM 874 O O . PRO A 1 123 ? -8.124 9.313 24.019 1.00 10.02 ? 147 PRO A O 1 ATOM 875 C CB . PRO A 1 123 ? -10.660 9.023 26.106 1.00 10.37 ? 147 PRO A CB 1 ATOM 876 C CG . PRO A 1 123 ? -11.078 10.309 25.430 1.00 10.96 ? 147 PRO A CG 1 ATOM 877 C CD . PRO A 1 123 ? -10.108 11.362 25.951 1.00 10.51 ? 147 PRO A CD 1 ATOM 878 N N . GLN A 1 124 ? -8.390 7.228 24.830 1.00 10.42 ? 148 GLN A N 1 ATOM 879 C CA . GLN A 1 124 ? -8.011 6.569 23.578 1.00 9.89 ? 148 GLN A CA 1 ATOM 880 C C . GLN A 1 124 ? -9.117 5.581 23.272 1.00 9.74 ? 148 GLN A C 1 ATOM 881 O O . GLN A 1 124 ? -9.287 4.576 23.989 1.00 9.84 ? 148 GLN A O 1 ATOM 882 C CB . GLN A 1 124 ? -6.673 5.850 23.715 1.00 10.46 ? 148 GLN A CB 1 ATOM 883 C CG . GLN A 1 124 ? -5.458 6.778 23.765 1.00 9.46 ? 148 GLN A CG 1 ATOM 884 C CD . GLN A 1 124 ? -4.230 6.085 24.325 1.00 9.97 ? 148 GLN A CD 1 ATOM 885 O OE1 . GLN A 1 124 ? -4.050 4.871 24.169 1.00 9.63 ? 148 GLN A OE1 1 ATOM 886 N NE2 . GLN A 1 124 ? -3.377 6.854 24.993 1.00 8.68 ? 148 GLN A NE2 1 ATOM 887 N N . ARG A 1 125 ? -9.877 5.877 22.219 1.00 9.35 ? 149 ARG A N 1 ATOM 888 C CA . ARG A 1 125 ? -11.159 5.221 21.988 1.00 9.25 ? 149 ARG A CA 1 ATOM 889 C C . ARG A 1 125 ? -11.066 3.838 21.307 1.00 9.15 ? 149 ARG A C 1 ATOM 890 O O . ARG A 1 125 ? -12.084 3.179 21.128 1.00 8.57 ? 149 ARG A O 1 ATOM 891 C CB . ARG A 1 125 ? -12.117 6.165 21.231 1.00 9.21 ? 149 ARG A CB 1 ATOM 892 C CG . ARG A 1 125 ? -12.188 7.571 21.849 1.00 9.38 ? 149 ARG A CG 1 ATOM 893 C CD . ARG A 1 125 ? -13.427 8.337 21.430 1.00 9.80 ? 149 ARG A CD 1 ATOM 894 N NE . ARG A 1 125 ? -13.414 9.741 21.867 1.00 9.34 ? 149 ARG A NE 1 ATOM 895 C CZ . ARG A 1 125 ? -13.912 10.197 23.019 1.00 9.09 ? 149 ARG A CZ 1 ATOM 896 N NH1 . ARG A 1 125 ? -14.474 9.378 23.897 1.00 8.22 ? 149 ARG A NH1 1 ATOM 897 N NH2 . ARG A 1 125 ? -13.864 11.503 23.290 1.00 10.18 ? 149 ARG A NH2 1 ATOM 898 N N . ASP A 1 126 ? -9.856 3.428 20.925 1.00 9.32 ? 150 ASP A N 1 ATOM 899 C CA . ASP A 1 126 ? -9.602 2.086 20.361 1.00 9.71 ? 150 ASP A CA 1 ATOM 900 C C . ASP A 1 126 ? -9.707 0.972 21.406 1.00 9.62 ? 150 ASP A C 1 ATOM 901 O O . ASP A 1 126 ? -10.026 -0.178 21.070 1.00 10.03 ? 150 ASP A O 1 ATOM 902 C CB . ASP A 1 126 ? -8.219 2.019 19.678 1.00 9.44 ? 150 ASP A CB 1 ATOM 903 C CG . ASP A 1 126 ? -7.052 2.238 20.657 1.00 10.88 ? 150 ASP A CG 1 ATOM 904 O OD1 . ASP A 1 126 ? -7.101 3.204 21.452 1.00 9.88 ? 150 ASP A OD1 1 ATOM 905 O OD2 . ASP A 1 126 ? -6.068 1.463 20.615 1.00 10.78 ? 150 ASP A OD2 1 ATOM 906 N N . GLY A 1 127 ? -9.416 1.313 22.659 1.00 9.75 ? 151 GLY A N 1 ATOM 907 C CA . GLY A 1 127 ? -9.410 0.360 23.769 1.00 10.17 ? 151 GLY A CA 1 ATOM 908 C C . GLY A 1 127 ? -10.643 -0.521 23.893 1.00 10.42 ? 151 GLY A C 1 ATOM 909 O O . GLY A 1 127 ? -10.525 -1.752 23.856 1.00 10.52 ? 151 GLY A O 1 ATOM 910 N N . PRO A 1 128 ? -11.831 0.091 24.081 1.00 10.37 ? 152 PRO A N 1 ATOM 911 C CA . PRO A 1 128 ? -13.056 -0.706 24.174 1.00 10.17 ? 152 PRO A CA 1 ATOM 912 C C . PRO A 1 128 ? -13.299 -1.608 22.968 1.00 9.81 ? 152 PRO A C 1 ATOM 913 O O . PRO A 1 128 ? -13.761 -2.739 23.145 1.00 9.52 ? 152 PRO A O 1 ATOM 914 C CB . PRO A 1 128 ? -14.151 0.359 24.301 1.00 9.94 ? 152 PRO A CB 1 ATOM 915 C CG . PRO A 1 128 ? -13.443 1.489 25.007 1.00 10.48 ? 152 PRO A CG 1 ATOM 916 C CD . PRO A 1 128 ? -12.117 1.526 24.291 1.00 10.19 ? 152 PRO A CD 1 ATOM 917 N N . ALA A 1 129 ? -12.981 -1.119 21.768 1.00 9.47 ? 153 ALA A N 1 ATOM 918 C CA . ALA A 1 129 ? -13.122 -1.924 20.557 1.00 8.97 ? 153 ALA A CA 1 ATOM 919 C C . ALA A 1 129 ? -12.232 -3.173 20.606 1.00 8.88 ? 153 ALA A C 1 ATOM 920 O O . ALA A 1 129 ? -12.698 -4.273 20.321 1.00 8.78 ? 153 ALA A O 1 ATOM 921 C CB . ALA A 1 129 ? -12.835 -1.081 19.304 1.00 8.57 ? 153 ALA A CB 1 ATOM 922 N N . LEU A 1 130 ? -10.972 -2.995 21.010 1.00 8.37 ? 154 LEU A N 1 ATOM 923 C CA . LEU A 1 130 ? -10.002 -4.095 21.081 1.00 8.53 ? 154 LEU A CA 1 ATOM 924 C C . LEU A 1 130 ? -10.327 -5.104 22.173 1.00 8.43 ? 154 LEU A C 1 ATOM 925 O O . LEU A 1 130 ? -10.168 -6.302 21.966 1.00 8.59 ? 154 LEU A O 1 ATOM 926 C CB . LEU A 1 130 ? -8.570 -3.569 21.233 1.00 8.39 ? 154 LEU A CB 1 ATOM 927 C CG . LEU A 1 130 ? -8.068 -2.745 20.029 1.00 9.41 ? 154 LEU A CG 1 ATOM 928 C CD1 . LEU A 1 130 ? -6.695 -2.186 20.356 1.00 10.22 ? 154 LEU A CD1 1 ATOM 929 C CD2 . LEU A 1 130 ? -8.009 -3.566 18.743 1.00 9.84 ? 154 LEU A CD2 1 ATOM 930 N N . ARG A 1 131 ? -10.781 -4.619 23.329 1.00 8.91 ? 155 ARG A N 1 ATOM 931 C CA . ARG A 1 131 ? -11.232 -5.512 24.404 1.00 8.92 ? 155 ARG A CA 1 ATOM 932 C C . ARG A 1 131 ? -12.438 -6.350 23.974 1.00 9.27 ? 155 ARG A C 1 ATOM 933 O O . ARG A 1 131 ? -12.442 -7.570 24.194 1.00 9.74 ? 155 ARG A O 1 ATOM 934 C CB . ARG A 1 131 ? -11.549 -4.738 25.685 1.00 8.56 ? 155 ARG A CB 1 ATOM 935 C CG . ARG A 1 131 ? -12.003 -5.622 26.843 1.00 9.75 ? 155 ARG A CG 1 ATOM 936 C CD . ARG A 1 131 ? -11.906 -4.896 28.170 1.00 10.26 ? 155 ARG A CD 1 ATOM 937 N NE . ARG A 1 131 ? -12.607 -3.619 28.111 1.00 11.13 ? 155 ARG A NE 1 ATOM 938 C CZ . ARG A 1 131 ? -12.387 -2.584 28.916 1.00 10.16 ? 155 ARG A CZ 1 ATOM 939 N NH1 . ARG A 1 131 ? -11.457 -2.636 29.859 1.00 10.55 ? 155 ARG A NH1 1 ATOM 940 N NH2 . ARG A 1 131 ? -13.081 -1.474 28.739 1.00 9.84 ? 155 ARG A NH2 1 ATOM 941 N N . ALA A 1 132 ? -13.439 -5.704 23.363 1.00 9.34 ? 156 ALA A N 1 ATOM 942 C CA . ALA A 1 132 ? -14.617 -6.402 22.833 1.00 9.81 ? 156 ALA A CA 1 ATOM 943 C C . ALA A 1 132 ? -14.184 -7.488 21.860 1.00 9.92 ? 156 ALA A C 1 ATOM 944 O O . ALA A 1 132 ? -14.606 -8.643 21.969 1.00 10.36 ? 156 ALA A O 1 ATOM 945 C CB . ALA A 1 132 ? -15.580 -5.417 22.146 1.00 9.67 ? 156 ALA A CB 1 ATOM 946 N N . THR A 1 133 ? -13.317 -7.127 20.920 1.00 9.87 ? 157 THR A N 1 ATOM 947 C CA . THR A 1 133 ? -12.840 -8.090 19.930 1.00 9.82 ? 157 THR A CA 1 ATOM 948 C C . THR A 1 133 ? -12.160 -9.312 20.576 1.00 9.87 ? 157 THR A C 1 ATOM 949 O O . THR A 1 133 ? -12.384 -10.459 20.150 1.00 10.07 ? 157 THR A O 1 ATOM 950 C CB . THR A 1 133 ? -11.959 -7.404 18.865 1.00 10.04 ? 157 THR A CB 1 ATOM 951 O OG1 . THR A 1 133 ? -12.806 -6.648 17.998 1.00 9.65 ? 157 THR A OG1 1 ATOM 952 C CG2 . THR A 1 133 ? -11.208 -8.425 18.028 1.00 9.74 ? 157 THR A CG2 1 ATOM 953 N N . ALA A 1 134 ? -11.366 -9.075 21.616 1.00 9.52 ? 158 ALA A N 1 ATOM 954 C CA . ALA A 1 134 ? -10.714 -10.162 22.341 1.00 9.75 ? 158 ALA A CA 1 ATOM 955 C C . ALA A 1 134 ? -11.738 -11.054 23.051 1.00 10.10 ? 158 ALA A C 1 ATOM 956 O O . ALA A 1 134 ? -11.636 -12.290 23.016 1.00 9.67 ? 158 ALA A O 1 ATOM 957 C CB . ALA A 1 134 ? -9.697 -9.614 23.352 1.00 9.22 ? 158 ALA A CB 1 ATOM 958 N N . MET A 1 135 ? -12.712 -10.423 23.699 1.00 10.42 ? 159 MET A N 1 ATOM 959 C CA . MET A 1 135 ? -13.698 -11.153 24.494 1.00 11.69 ? 159 MET A CA 1 ATOM 960 C C . MET A 1 135 ? -14.686 -11.935 23.645 1.00 10.98 ? 159 MET A C 1 ATOM 961 O O . MET A 1 135 ? -15.097 -13.025 24.032 1.00 10.46 ? 159 MET A O 1 ATOM 962 C CB . MET A 1 135 ? -14.460 -10.208 25.416 1.00 11.86 ? 159 MET A CB 1 ATOM 963 C CG . MET A 1 135 ? -13.628 -9.669 26.541 1.00 12.63 ? 159 MET A CG 1 ATOM 964 S SD . MET A 1 135 ? -14.666 -8.968 27.825 1.00 14.87 ? 159 MET A SD 1 ATOM 965 C CE . MET A 1 135 ? -13.402 -8.405 28.912 1.00 13.77 ? 159 MET A CE 1 ATOM 966 N N . ILE A 1 136 ? -15.063 -11.365 22.501 1.00 11.14 ? 160 ILE A N 1 ATOM 967 C CA . ILE A 1 136 ? -16.020 -11.989 21.585 1.00 10.96 ? 160 ILE A CA 1 ATOM 968 C C . ILE A 1 136 ? -15.520 -13.356 21.104 1.00 11.46 ? 160 ILE A C 1 ATOM 969 O O . ILE A 1 136 ? -16.261 -14.339 21.144 1.00 11.37 ? 160 ILE A O 1 ATOM 970 C CB . ILE A 1 136 ? -16.369 -11.062 20.401 1.00 10.63 ? 160 ILE A CB 1 ATOM 971 C CG1 . ILE A 1 136 ? -17.243 -9.901 20.895 1.00 11.73 ? 160 ILE A CG1 1 ATOM 972 C CG2 . ILE A 1 136 ? -17.080 -11.844 19.276 1.00 10.38 ? 160 ILE A CG2 1 ATOM 973 C CD1 . ILE A 1 136 ? -17.190 -8.636 20.012 1.00 12.35 ? 160 ILE A CD1 1 ATOM 974 N N . GLY A 1 137 ? -14.261 -13.414 20.671 1.00 11.75 ? 161 GLY A N 1 ATOM 975 C CA . GLY A 1 137 ? -13.615 -14.681 20.320 1.00 11.81 ? 161 GLY A CA 1 ATOM 976 C C . GLY A 1 137 ? -13.788 -15.776 21.362 1.00 11.83 ? 161 GLY A C 1 ATOM 977 O O . GLY A 1 137 ? -14.092 -16.917 21.017 1.00 11.72 ? 161 GLY A O 1 ATOM 978 N N . PHE A 1 138 ? -13.598 -15.432 22.633 1.00 12.34 ? 162 PHE A N 1 ATOM 979 C CA . PHE A 1 138 ? -13.772 -16.394 23.727 1.00 13.03 ? 162 PHE A CA 1 ATOM 980 C C . PHE A 1 138 ? -15.248 -16.721 23.952 1.00 13.18 ? 162 PHE A C 1 ATOM 981 O O . PHE A 1 138 ? -15.596 -17.867 24.251 1.00 12.98 ? 162 PHE A O 1 ATOM 982 C CB . PHE A 1 138 ? -13.134 -15.891 25.030 1.00 13.00 ? 162 PHE A CB 1 ATOM 983 C CG . PHE A 1 138 ? -13.166 -16.901 26.160 1.00 13.61 ? 162 PHE A CG 1 ATOM 984 C CD1 . PHE A 1 138 ? -12.567 -18.155 26.018 1.00 14.09 ? 162 PHE A CD1 1 ATOM 985 C CD2 . PHE A 1 138 ? -13.785 -16.591 27.373 1.00 14.84 ? 162 PHE A CD2 1 ATOM 986 C CE1 . PHE A 1 138 ? -12.589 -19.083 27.060 1.00 14.45 ? 162 PHE A CE1 1 ATOM 987 C CE2 . PHE A 1 138 ? -13.810 -17.516 28.432 1.00 14.88 ? 162 PHE A CE2 1 ATOM 988 C CZ . PHE A 1 138 ? -13.212 -18.764 28.273 1.00 14.16 ? 162 PHE A CZ 1 ATOM 989 N N . GLY A 1 139 ? -16.105 -15.714 23.805 1.00 13.32 ? 163 GLY A N 1 ATOM 990 C CA . GLY A 1 139 ? -17.551 -15.916 23.849 1.00 13.76 ? 163 GLY A CA 1 ATOM 991 C C . GLY A 1 139 ? -18.015 -16.904 22.789 1.00 14.31 ? 163 GLY A C 1 ATOM 992 O O . GLY A 1 139 ? -18.858 -17.763 23.068 1.00 14.16 ? 163 GLY A O 1 ATOM 993 N N . GLN A 1 140 ? -17.448 -16.786 21.583 1.00 14.61 ? 164 GLN A N 1 ATOM 994 C CA . GLN A 1 140 ? -17.733 -17.688 20.461 1.00 14.99 ? 164 GLN A CA 1 ATOM 995 C C . GLN A 1 140 ? -17.366 -19.137 20.822 1.00 14.96 ? 164 GLN A C 1 ATOM 996 O O . GLN A 1 140 ? -18.189 -20.046 20.680 1.00 14.84 ? 164 GLN A O 1 ATOM 997 C CB . GLN A 1 140 ? -17.002 -17.222 19.180 1.00 14.81 ? 164 GLN A CB 1 ATOM 998 C CG . GLN A 1 140 ? -17.436 -15.822 18.650 1.00 15.83 ? 164 GLN A CG 1 ATOM 999 C CD . GLN A 1 140 ? -16.591 -15.273 17.475 1.00 16.35 ? 164 GLN A CD 1 ATOM 1000 O OE1 . GLN A 1 140 ? -15.450 -15.683 17.249 1.00 17.98 ? 164 GLN A OE1 1 ATOM 1001 N NE2 . GLN A 1 140 ? -17.160 -14.321 16.737 1.00 17.85 ? 164 GLN A NE2 1 ATOM 1002 N N . TRP A 1 141 ? -16.141 -19.343 21.308 1.00 14.54 ? 165 TRP A N 1 ATOM 1003 C CA . TRP A 1 141 ? -15.697 -20.665 21.782 1.00 14.19 ? 165 TRP A CA 1 ATOM 1004 C C . TRP A 1 141 ? -16.617 -21.246 22.862 1.00 14.07 ? 165 TRP A C 1 ATOM 1005 O O . TRP A 1 141 ? -16.967 -22.431 22.808 1.00 13.78 ? 165 TRP A O 1 ATOM 1006 C CB . TRP A 1 141 ? -14.239 -20.619 22.287 1.00 13.68 ? 165 TRP A CB 1 ATOM 1007 C CG . TRP A 1 141 ? -13.742 -21.954 22.777 1.00 13.42 ? 165 TRP A CG 1 ATOM 1008 C CD1 . TRP A 1 141 ? -13.113 -22.915 22.039 1.00 13.35 ? 165 TRP A CD1 1 ATOM 1009 C CD2 . TRP A 1 141 ? -13.861 -22.485 24.109 1.00 13.32 ? 165 TRP A CD2 1 ATOM 1010 N NE1 . TRP A 1 141 ? -12.823 -24.007 22.830 1.00 13.67 ? 165 TRP A NE1 1 ATOM 1011 C CE2 . TRP A 1 141 ? -13.276 -23.770 24.101 1.00 12.99 ? 165 TRP A CE2 1 ATOM 1012 C CE3 . TRP A 1 141 ? -14.401 -21.995 25.309 1.00 12.50 ? 165 TRP A CE3 1 ATOM 1013 C CZ2 . TRP A 1 141 ? -13.214 -24.572 25.244 1.00 13.60 ? 165 TRP A CZ2 1 ATOM 1014 C CZ3 . TRP A 1 141 ? -14.343 -22.793 26.441 1.00 12.87 ? 165 TRP A CZ3 1 ATOM 1015 C CH2 . TRP A 1 141 ? -13.753 -24.068 26.401 1.00 13.31 ? 165 TRP A CH2 1 ATOM 1016 N N . LEU A 1 142 ? -16.994 -20.423 23.842 1.00 14.11 ? 166 LEU A N 1 ATOM 1017 C CA . LEU A 1 142 ? -17.837 -20.878 24.954 1.00 14.37 ? 166 LEU A CA 1 ATOM 1018 C C . LEU A 1 142 ? -19.176 -21.419 24.457 1.00 14.81 ? 166 LEU A C 1 ATOM 1019 O O . LEU A 1 142 ? -19.640 -22.468 24.911 1.00 14.52 ? 166 LEU A O 1 ATOM 1020 C CB . LEU A 1 142 ? -18.080 -19.755 25.966 1.00 14.07 ? 166 LEU A CB 1 ATOM 1021 C CG . LEU A 1 142 ? -16.932 -19.315 26.874 1.00 14.28 ? 166 LEU A CG 1 ATOM 1022 C CD1 . LEU A 1 142 ? -17.269 -17.970 27.505 1.00 14.72 ? 166 LEU A CD1 1 ATOM 1023 C CD2 . LEU A 1 142 ? -16.623 -20.353 27.944 1.00 13.83 ? 166 LEU A CD2 1 ATOM 1024 N N . LEU A 1 143 ? -19.782 -20.695 23.519 1.00 15.58 ? 167 LEU A N 1 ATOM 1025 C CA . LEU A 1 143 ? -21.041 -21.117 22.897 1.00 16.13 ? 167 LEU A CA 1 ATOM 1026 C C . LEU A 1 143 ? -20.893 -22.436 22.152 1.00 16.58 ? 167 LEU A C 1 ATOM 1027 O O . LEU A 1 143 ? -21.760 -23.307 22.257 1.00 16.58 ? 167 LEU A O 1 ATOM 1028 C CB . LEU A 1 143 ? -21.556 -20.040 21.937 1.00 16.31 ? 167 LEU A CB 1 ATOM 1029 C CG . LEU A 1 143 ? -22.069 -18.727 22.539 1.00 16.88 ? 167 LEU A CG 1 ATOM 1030 C CD1 . LEU A 1 143 ? -22.255 -17.685 21.433 1.00 17.98 ? 167 LEU A CD1 1 ATOM 1031 C CD2 . LEU A 1 143 ? -23.365 -18.922 23.331 1.00 18.03 ? 167 LEU A CD2 1 ATOM 1032 N N . ASP A 1 144 ? -19.793 -22.571 21.410 1.00 16.87 ? 168 ASP A N 1 ATOM 1033 C CA . ASP A 1 144 ? -19.521 -23.755 20.587 1.00 17.44 ? 168 ASP A CA 1 ATOM 1034 C C . ASP A 1 144 ? -19.278 -25.022 21.404 1.00 17.46 ? 168 ASP A C 1 ATOM 1035 O O . ASP A 1 144 ? -19.448 -26.131 20.899 1.00 17.63 ? 168 ASP A O 1 ATOM 1036 C CB . ASP A 1 144 ? -18.317 -23.503 19.668 1.00 17.78 ? 168 ASP A CB 1 ATOM 1037 C CG . ASP A 1 144 ? -18.622 -22.519 18.546 1.00 18.74 ? 168 ASP A CG 1 ATOM 1038 O OD1 . ASP A 1 144 ? -19.810 -22.310 18.231 1.00 20.31 ? 168 ASP A OD1 1 ATOM 1039 O OD2 . ASP A 1 144 ? -17.666 -21.955 17.972 1.00 20.28 ? 168 ASP A OD2 1 ATOM 1040 N N . ASN A 1 145 ? -18.880 -24.845 22.661 1.00 17.39 ? 169 ASN A N 1 ATOM 1041 C CA . ASN A 1 145 ? -18.510 -25.955 23.535 1.00 17.48 ? 169 ASN A CA 1 ATOM 1042 C C . ASN A 1 145 ? -19.469 -26.121 24.715 1.00 17.52 ? 169 ASN A C 1 ATOM 1043 O O . ASN A 1 145 ? -19.114 -26.701 25.744 1.00 17.52 ? 169 ASN A O 1 ATOM 1044 C CB . ASN A 1 145 ? -17.062 -25.783 24.022 1.00 17.41 ? 169 ASN A CB 1 ATOM 1045 C CG . ASN A 1 145 ? -16.052 -25.904 22.894 1.00 17.56 ? 169 ASN A CG 1 ATOM 1046 O OD1 . ASN A 1 145 ? -15.486 -26.975 22.673 1.00 17.51 ? 169 ASN A OD1 1 ATOM 1047 N ND2 . ASN A 1 145 ? -15.841 -24.819 22.159 1.00 16.48 ? 169 ASN A ND2 1 ATOM 1048 N N . GLY A 1 146 ? -20.678 -25.589 24.562 1.00 17.72 ? 170 GLY A N 1 ATOM 1049 C CA . GLY A 1 146 ? -21.754 -25.801 25.529 1.00 18.06 ? 170 GLY A CA 1 ATOM 1050 C C . GLY A 1 146 ? -21.723 -24.983 26.808 1.00 18.20 ? 170 GLY A C 1 ATOM 1051 O O . GLY A 1 146 ? -22.492 -25.251 27.730 1.00 18.32 ? 170 GLY A O 1 ATOM 1052 N N . TYR A 1 147 ? -20.849 -23.983 26.874 1.00 18.07 ? 171 TYR A N 1 ATOM 1053 C CA . TYR A 1 147 ? -20.792 -23.110 28.044 1.00 18.31 ? 171 TYR A CA 1 ATOM 1054 C C . TYR A 1 147 ? -21.654 -21.852 27.838 1.00 18.64 ? 171 TYR A C 1 ATOM 1055 O O . TYR A 1 147 ? -21.169 -20.716 27.918 1.00 18.23 ? 171 TYR A O 1 ATOM 1056 C CB . TYR A 1 147 ? -19.335 -22.779 28.408 1.00 18.08 ? 171 TYR A CB 1 ATOM 1057 C CG . TYR A 1 147 ? -18.487 -24.009 28.673 1.00 17.71 ? 171 TYR A CG 1 ATOM 1058 C CD1 . TYR A 1 147 ? -18.672 -24.779 29.830 1.00 17.61 ? 171 TYR A CD1 1 ATOM 1059 C CD2 . TYR A 1 147 ? -17.518 -24.419 27.756 1.00 16.91 ? 171 TYR A CD2 1 ATOM 1060 C CE1 . TYR A 1 147 ? -17.899 -25.923 30.071 1.00 17.48 ? 171 TYR A CE1 1 ATOM 1061 C CE2 . TYR A 1 147 ? -16.741 -25.560 27.984 1.00 17.01 ? 171 TYR A CE2 1 ATOM 1062 C CZ . TYR A 1 147 ? -16.932 -26.305 29.142 1.00 17.54 ? 171 TYR A CZ 1 ATOM 1063 O OH . TYR A 1 147 ? -16.162 -27.427 29.365 1.00 17.48 ? 171 TYR A OH 1 ATOM 1064 N N . THR A 1 148 ? -22.943 -22.086 27.585 1.00 19.08 ? 172 THR A N 1 ATOM 1065 C CA . THR A 1 148 ? -23.905 -21.032 27.247 1.00 19.37 ? 172 THR A CA 1 ATOM 1066 C C . THR A 1 148 ? -24.061 -19.999 28.353 1.00 19.50 ? 172 THR A C 1 ATOM 1067 O O . THR A 1 148 ? -24.082 -18.801 28.074 1.00 19.74 ? 172 THR A O 1 ATOM 1068 C CB . THR A 1 148 ? -25.297 -21.613 26.896 1.00 19.54 ? 172 THR A CB 1 ATOM 1069 O OG1 . THR A 1 148 ? -25.141 -22.869 26.230 1.00 19.81 ? 172 THR A OG1 1 ATOM 1070 C CG2 . THR A 1 148 ? -26.076 -20.654 25.994 1.00 19.86 ? 172 THR A CG2 1 ATOM 1071 N N . SER A 1 149 ? -24.155 -20.459 29.600 1.00 19.52 ? 173 SER A N 1 ATOM 1072 C CA . SER A 1 149 ? -24.332 -19.559 30.741 1.00 19.66 ? 173 SER A CA 1 ATOM 1073 C C . SER A 1 149 ? -23.145 -18.608 30.960 1.00 19.47 ? 173 SER A C 1 ATOM 1074 O O . SER A 1 149 ? -23.340 -17.443 31.315 1.00 19.34 ? 173 SER A O 1 ATOM 1075 C CB . SER A 1 149 ? -24.662 -20.338 32.021 1.00 20.02 ? 173 SER A CB 1 ATOM 1076 O OG . SER A 1 149 ? -23.575 -21.144 32.443 1.00 20.98 ? 173 SER A OG 1 ATOM 1077 N N . THR A 1 150 ? -21.925 -19.099 30.746 1.00 19.02 ? 174 THR A N 1 ATOM 1078 C CA . THR A 1 150 ? -20.737 -18.250 30.837 1.00 18.62 ? 174 THR A CA 1 ATOM 1079 C C . THR A 1 150 ? -20.737 -17.197 29.727 1.00 18.30 ? 174 THR A C 1 ATOM 1080 O O . THR A 1 150 ? -20.416 -16.035 29.971 1.00 18.00 ? 174 THR A O 1 ATOM 1081 C CB . THR A 1 150 ? -19.421 -19.074 30.797 1.00 18.66 ? 174 THR A CB 1 ATOM 1082 O OG1 . THR A 1 150 ? -19.489 -20.147 31.747 1.00 18.50 ? 174 THR A OG1 1 ATOM 1083 C CG2 . THR A 1 150 ? -18.224 -18.195 31.131 1.00 18.02 ? 174 THR A CG2 1 ATOM 1084 N N . ALA A 1 151 ? -21.108 -17.612 28.518 1.00 18.04 ? 175 ALA A N 1 ATOM 1085 C CA . ALA A 1 151 ? -21.152 -16.719 27.361 1.00 18.40 ? 175 ALA A CA 1 ATOM 1086 C C . ALA A 1 151 ? -22.239 -15.655 27.477 1.00 18.64 ? 175 ALA A C 1 ATOM 1087 O O . ALA A 1 151 ? -22.054 -14.518 27.030 1.00 18.74 ? 175 ALA A O 1 ATOM 1088 C CB . ALA A 1 151 ? -21.339 -17.522 26.076 1.00 18.44 ? 175 ALA A CB 1 ATOM 1089 N N . THR A 1 152 ? -23.369 -16.029 28.073 1.00 18.64 ? 176 THR A N 1 ATOM 1090 C CA . THR A 1 152 ? -24.543 -15.159 28.117 1.00 18.86 ? 176 THR A CA 1 ATOM 1091 C C . THR A 1 152 ? -24.568 -14.236 29.342 1.00 18.61 ? 176 THR A C 1 ATOM 1092 O O . THR A 1 152 ? -24.972 -13.076 29.237 1.00 18.43 ? 176 THR A O 1 ATOM 1093 C CB . THR A 1 152 ? -25.850 -15.988 28.040 1.00 18.94 ? 176 THR A CB 1 ATOM 1094 O OG1 . THR A 1 152 ? -25.766 -16.897 26.936 1.00 19.15 ? 176 THR A OG1 1 ATOM 1095 C CG2 . THR A 1 152 ? -27.062 -15.084 27.848 1.00 19.45 ? 176 THR A CG2 1 ATOM 1096 N N . ASP A 1 153 ? -24.123 -14.753 30.486 1.00 18.52 ? 177 ASP A N 1 ATOM 1097 C CA . ASP A 1 153 ? -24.199 -14.026 31.762 1.00 18.52 ? 177 ASP A CA 1 ATOM 1098 C C . ASP A 1 153 ? -22.935 -13.243 32.136 1.00 17.99 ? 177 ASP A C 1 ATOM 1099 O O . ASP A 1 153 ? -23.005 -12.305 32.934 1.00 18.08 ? 177 ASP A O 1 ATOM 1100 C CB . ASP A 1 153 ? -24.554 -14.988 32.906 1.00 18.72 ? 177 ASP A CB 1 ATOM 1101 C CG . ASP A 1 153 ? -25.772 -15.853 32.595 1.00 20.03 ? 177 ASP A CG 1 ATOM 1102 O OD1 . ASP A 1 153 ? -26.589 -15.459 31.736 1.00 22.01 ? 177 ASP A OD1 1 ATOM 1103 O OD2 . ASP A 1 153 ? -25.904 -16.934 33.208 1.00 20.99 ? 177 ASP A OD2 1 ATOM 1104 N N . ILE A 1 154 ? -21.788 -13.632 31.578 1.00 16.92 ? 178 ILE A N 1 ATOM 1105 C CA . ILE A 1 154 ? -20.516 -12.983 31.913 1.00 16.04 ? 178 ILE A CA 1 ATOM 1106 C C . ILE A 1 154 ? -19.911 -12.262 30.716 1.00 15.36 ? 178 ILE A C 1 ATOM 1107 O O . ILE A 1 154 ? -19.751 -11.038 30.741 1.00 14.96 ? 178 ILE A O 1 ATOM 1108 C CB . ILE A 1 154 ? -19.483 -13.980 32.494 1.00 16.22 ? 178 ILE A CB 1 ATOM 1109 C CG1 . ILE A 1 154 ? -20.029 -14.657 33.758 1.00 16.61 ? 178 ILE A CG1 1 ATOM 1110 C CG2 . ILE A 1 154 ? -18.155 -13.270 32.770 1.00 15.97 ? 178 ILE A CG2 1 ATOM 1111 C CD1 . ILE A 1 154 ? -19.344 -15.981 34.111 1.00 18.02 ? 178 ILE A CD1 1 ATOM 1112 N N . VAL A 1 155 ? -19.578 -13.015 29.670 1.00 14.42 ? 179 VAL A N 1 ATOM 1113 C CA . VAL A 1 155 ? -18.897 -12.438 28.507 1.00 13.66 ? 179 VAL A CA 1 ATOM 1114 C C . VAL A 1 155 ? -19.752 -11.392 27.781 1.00 13.35 ? 179 VAL A C 1 ATOM 1115 O O . VAL A 1 155 ? -19.285 -10.271 27.538 1.00 12.56 ? 179 VAL A O 1 ATOM 1116 C CB . VAL A 1 155 ? -18.357 -13.526 27.542 1.00 13.84 ? 179 VAL A CB 1 ATOM 1117 C CG1 . VAL A 1 155 ? -17.575 -12.894 26.394 1.00 13.23 ? 179 VAL A CG1 1 ATOM 1118 C CG2 . VAL A 1 155 ? -17.481 -14.501 28.302 1.00 13.75 ? 179 VAL A CG2 1 ATOM 1119 N N . TRP A 1 156 ? -21.002 -11.735 27.464 1.00 12.90 ? 180 TRP A N 1 ATOM 1120 C CA . TRP A 1 156 ? -21.879 -10.788 26.751 1.00 12.98 ? 180 TRP A CA 1 ATOM 1121 C C . TRP A 1 156 ? -22.048 -9.431 27.472 1.00 12.53 ? 180 TRP A C 1 ATOM 1122 O O . TRP A 1 156 ? -21.833 -8.393 26.854 1.00 13.07 ? 180 TRP A O 1 ATOM 1123 C CB . TRP A 1 156 ? -23.228 -11.423 26.362 1.00 13.40 ? 180 TRP A CB 1 ATOM 1124 C CG . TRP A 1 156 ? -24.329 -10.432 26.021 1.00 14.56 ? 180 TRP A CG 1 ATOM 1125 C CD1 . TRP A 1 156 ? -25.562 -10.336 26.621 1.00 14.90 ? 180 TRP A CD1 1 ATOM 1126 C CD2 . TRP A 1 156 ? -24.297 -9.404 25.011 1.00 14.52 ? 180 TRP A CD2 1 ATOM 1127 N NE1 . TRP A 1 156 ? -26.291 -9.322 26.046 1.00 14.77 ? 180 TRP A NE1 1 ATOM 1128 C CE2 . TRP A 1 156 ? -25.543 -8.734 25.059 1.00 14.54 ? 180 TRP A CE2 1 ATOM 1129 C CE3 . TRP A 1 156 ? -23.342 -8.989 24.070 1.00 15.06 ? 180 TRP A CE3 1 ATOM 1130 C CZ2 . TRP A 1 156 ? -25.856 -7.673 24.207 1.00 14.12 ? 180 TRP A CZ2 1 ATOM 1131 C CZ3 . TRP A 1 156 ? -23.657 -7.925 23.219 1.00 14.35 ? 180 TRP A CZ3 1 ATOM 1132 C CH2 . TRP A 1 156 ? -24.903 -7.279 23.302 1.00 15.38 ? 180 TRP A CH2 1 ATOM 1133 N N . PRO A 1 157 ? -22.436 -9.428 28.762 1.00 12.39 ? 181 PRO A N 1 ATOM 1134 C CA . PRO A 1 157 ? -22.526 -8.144 29.481 1.00 12.17 ? 181 PRO A CA 1 ATOM 1135 C C . PRO A 1 157 ? -21.239 -7.299 29.467 1.00 11.63 ? 181 PRO A C 1 ATOM 1136 O O . PRO A 1 157 ? -21.316 -6.073 29.360 1.00 11.49 ? 181 PRO A O 1 ATOM 1137 C CB . PRO A 1 157 ? -22.886 -8.566 30.907 1.00 11.90 ? 181 PRO A CB 1 ATOM 1138 C CG . PRO A 1 157 ? -23.578 -9.854 30.749 1.00 12.68 ? 181 PRO A CG 1 ATOM 1139 C CD . PRO A 1 157 ? -22.875 -10.548 29.613 1.00 12.43 ? 181 PRO A CD 1 ATOM 1140 N N . LEU A 1 158 ? -20.076 -7.942 29.560 1.00 11.27 ? 182 LEU A N 1 ATOM 1141 C CA . LEU A 1 158 ? -18.798 -7.232 29.444 1.00 10.90 ? 182 LEU A CA 1 ATOM 1142 C C . LEU A 1 158 ? -18.647 -6.598 28.063 1.00 10.91 ? 182 LEU A C 1 ATOM 1143 O O . LEU A 1 158 ? -18.261 -5.422 27.930 1.00 10.44 ? 182 LEU A O 1 ATOM 1144 C CB . LEU A 1 158 ? -17.623 -8.170 29.740 1.00 11.12 ? 182 LEU A CB 1 ATOM 1145 C CG . LEU A 1 158 ? -17.504 -8.664 31.184 1.00 10.73 ? 182 LEU A CG 1 ATOM 1146 C CD1 . LEU A 1 158 ? -16.557 -9.837 31.284 1.00 11.09 ? 182 LEU A CD1 1 ATOM 1147 C CD2 . LEU A 1 158 ? -17.061 -7.544 32.112 1.00 11.53 ? 182 LEU A CD2 1 ATOM 1148 N N . VAL A 1 159 ? -18.967 -7.389 27.045 1.00 10.59 ? 183 VAL A N 1 ATOM 1149 C CA . VAL A 1 159 ? -18.888 -6.958 25.656 1.00 10.26 ? 183 VAL A CA 1 ATOM 1150 C C . VAL A 1 159 ? -19.879 -5.831 25.383 1.00 10.37 ? 183 VAL A C 1 ATOM 1151 O O . VAL A 1 159 ? -19.555 -4.874 24.676 1.00 10.82 ? 183 VAL A O 1 ATOM 1152 C CB . VAL A 1 159 ? -19.104 -8.156 24.689 1.00 10.31 ? 183 VAL A CB 1 ATOM 1153 C CG1 . VAL A 1 159 ? -19.345 -7.683 23.257 1.00 9.31 ? 183 VAL A CG1 1 ATOM 1154 C CG2 . VAL A 1 159 ? -17.898 -9.096 24.746 1.00 9.78 ? 183 VAL A CG2 1 ATOM 1155 N N . ARG A 1 160 ? -21.066 -5.938 25.976 1.00 10.35 ? 184 ARG A N 1 ATOM 1156 C CA . ARG A 1 160 ? -22.138 -4.974 25.763 1.00 10.45 ? 184 ARG A CA 1 ATOM 1157 C C . ARG A 1 160 ? -21.724 -3.560 26.195 1.00 10.39 ? 184 ARG A C 1 ATOM 1158 O O . ARG A 1 160 ? -22.052 -2.587 25.514 1.00 9.95 ? 184 ARG A O 1 ATOM 1159 C CB . ARG A 1 160 ? -23.402 -5.432 26.498 1.00 10.76 ? 184 ARG A CB 1 ATOM 1160 C CG . ARG A 1 160 ? -24.672 -4.655 26.134 1.00 11.22 ? 184 ARG A CG 1 ATOM 1161 C CD . ARG A 1 160 ? -25.870 -5.192 26.922 1.00 10.63 ? 184 ARG A CD 1 ATOM 1162 N NE . ARG A 1 160 ? -25.606 -5.235 28.360 1.00 11.39 ? 184 ARG A NE 1 ATOM 1163 C CZ . ARG A 1 160 ? -26.227 -6.044 29.216 1.00 12.82 ? 184 ARG A CZ 1 ATOM 1164 N NH1 . ARG A 1 160 ? -27.164 -6.886 28.787 1.00 12.31 ? 184 ARG A NH1 1 ATOM 1165 N NH2 . ARG A 1 160 ? -25.908 -6.016 30.506 1.00 12.73 ? 184 ARG A NH2 1 ATOM 1166 N N . ASN A 1 161 ? -21.001 -3.455 27.314 1.00 10.51 ? 185 ASN A N 1 ATOM 1167 C CA . ASN A 1 161 ? -20.463 -2.172 27.783 1.00 10.58 ? 185 ASN A CA 1 ATOM 1168 C C . ASN A 1 161 ? -19.536 -1.516 26.757 1.00 10.71 ? 185 ASN A C 1 ATOM 1169 O O . ASN A 1 161 ? -19.651 -0.316 26.463 1.00 11.05 ? 185 ASN A O 1 ATOM 1170 C CB . ASN A 1 161 ? -19.703 -2.347 29.105 1.00 10.30 ? 185 ASN A CB 1 ATOM 1171 C CG . ASN A 1 161 ? -20.629 -2.574 30.293 1.00 10.75 ? 185 ASN A CG 1 ATOM 1172 O OD1 . ASN A 1 161 ? -21.773 -2.125 30.294 1.00 9.85 ? 185 ASN A OD1 1 ATOM 1173 N ND2 . ASN A 1 161 ? -20.128 -3.270 31.317 1.00 9.09 ? 185 ASN A ND2 1 ATOM 1174 N N . ASP A 1 162 ? -18.620 -2.312 26.223 1.00 10.40 ? 186 ASP A N 1 ATOM 1175 C CA . ASP A 1 162 ? -17.627 -1.827 25.272 1.00 10.52 ? 186 ASP A CA 1 ATOM 1176 C C . ASP A 1 162 ? -18.241 -1.487 23.905 1.00 10.36 ? 186 ASP A C 1 ATOM 1177 O O . ASP A 1 162 ? -17.842 -0.509 23.270 1.00 9.55 ? 186 ASP A O 1 ATOM 1178 C CB . ASP A 1 162 ? -16.476 -2.834 25.143 1.00 10.88 ? 186 ASP A CB 1 ATOM 1179 C CG . ASP A 1 162 ? -15.477 -2.755 26.315 1.00 11.95 ? 186 ASP A CG 1 ATOM 1180 O OD1 . ASP A 1 162 ? -15.169 -1.639 26.810 1.00 13.37 ? 186 ASP A OD1 1 ATOM 1181 O OD2 . ASP A 1 162 ? -14.986 -3.822 26.744 1.00 14.46 ? 186 ASP A OD2 1 ATOM 1182 N N . LEU A 1 163 ? -19.213 -2.285 23.460 1.00 10.32 ? 187 LEU A N 1 ATOM 1183 C CA . LEU A 1 163 ? -19.937 -1.983 22.219 1.00 10.77 ? 187 LEU A CA 1 ATOM 1184 C C . LEU A 1 163 ? -20.743 -0.696 22.351 1.00 11.19 ? 187 LEU A C 1 ATOM 1185 O O . LEU A 1 163 ? -20.821 0.101 21.403 1.00 10.66 ? 187 LEU A O 1 ATOM 1186 C CB . LEU A 1 163 ? -20.865 -3.129 21.831 1.00 11.42 ? 187 LEU A CB 1 ATOM 1187 C CG . LEU A 1 163 ? -20.198 -4.469 21.503 1.00 10.59 ? 187 LEU A CG 1 ATOM 1188 C CD1 . LEU A 1 163 ? -21.263 -5.507 21.176 1.00 12.55 ? 187 LEU A CD1 1 ATOM 1189 C CD2 . LEU A 1 163 ? -19.187 -4.318 20.366 1.00 12.23 ? 187 LEU A CD2 1 ATOM 1190 N N . SER A 1 164 ? -21.349 -0.508 23.524 1.00 11.32 ? 188 SER A N 1 ATOM 1191 C CA . SER A 1 164 ? -22.095 0.714 23.808 1.00 11.67 ? 188 SER A CA 1 ATOM 1192 C C . SER A 1 164 ? -21.154 1.922 23.754 1.00 12.01 ? 188 SER A C 1 ATOM 1193 O O . SER A 1 164 ? -21.520 2.975 23.221 1.00 12.27 ? 188 SER A O 1 ATOM 1194 C CB . SER A 1 164 ? -22.805 0.624 25.166 1.00 11.66 ? 188 SER A CB 1 ATOM 1195 O OG . SER A 1 164 ? -23.772 -0.417 25.170 1.00 12.21 ? 188 SER A OG 1 ATOM 1196 N N . TYR A 1 165 ? -19.932 1.759 24.271 1.00 11.77 ? 189 TYR A N 1 ATOM 1197 C CA . TYR A 1 165 ? -18.932 2.837 24.229 1.00 11.43 ? 189 TYR A CA 1 ATOM 1198 C C . TYR A 1 165 ? -18.615 3.249 22.788 1.00 11.62 ? 189 TYR A C 1 ATOM 1199 O O . TYR A 1 165 ? -18.636 4.440 22.451 1.00 11.51 ? 189 TYR A O 1 ATOM 1200 C CB . TYR A 1 165 ? -17.642 2.444 24.985 1.00 11.37 ? 189 TYR A CB 1 ATOM 1201 C CG . TYR A 1 165 ? -16.611 3.554 24.950 1.00 10.71 ? 189 TYR A CG 1 ATOM 1202 C CD1 . TYR A 1 165 ? -15.757 3.700 23.855 1.00 10.74 ? 189 TYR A CD1 1 ATOM 1203 C CD2 . TYR A 1 165 ? -16.533 4.487 25.978 1.00 10.14 ? 189 TYR A CD2 1 ATOM 1204 C CE1 . TYR A 1 165 ? -14.845 4.730 23.793 1.00 10.12 ? 189 TYR A CE1 1 ATOM 1205 C CE2 . TYR A 1 165 ? -15.618 5.527 25.937 1.00 9.32 ? 189 TYR A CE2 1 ATOM 1206 C CZ . TYR A 1 165 ? -14.779 5.638 24.843 1.00 10.68 ? 189 TYR A CZ 1 ATOM 1207 O OH . TYR A 1 165 ? -13.882 6.658 24.781 1.00 10.69 ? 189 TYR A OH 1 ATOM 1208 N N . VAL A 1 166 ? -18.313 2.261 21.946 1.00 11.61 ? 190 VAL A N 1 ATOM 1209 C CA . VAL A 1 166 ? -17.946 2.512 20.551 1.00 12.32 ? 190 VAL A CA 1 ATOM 1210 C C . VAL A 1 166 ? -19.084 3.209 19.776 1.00 12.24 ? 190 VAL A C 1 ATOM 1211 O O . VAL A 1 166 ? -18.847 4.197 19.066 1.00 11.94 ? 190 VAL A O 1 ATOM 1212 C CB . VAL A 1 166 ? -17.474 1.210 19.839 1.00 12.25 ? 190 VAL A CB 1 ATOM 1213 C CG1 . VAL A 1 166 ? -17.229 1.455 18.365 1.00 13.02 ? 190 VAL A CG1 1 ATOM 1214 C CG2 . VAL A 1 166 ? -16.201 0.671 20.502 1.00 11.97 ? 190 VAL A CG2 1 ATOM 1215 N N . ALA A 1 167 ? -20.306 2.695 19.916 1.00 12.21 ? 191 ALA A N 1 ATOM 1216 C CA . ALA A 1 167 ? -21.479 3.290 19.254 1.00 11.94 ? 191 ALA A CA 1 ATOM 1217 C C . ALA A 1 167 ? -21.764 4.730 19.704 1.00 11.98 ? 191 ALA A C 1 ATOM 1218 O O . ALA A 1 167 ? -22.147 5.575 18.891 1.00 12.00 ? 191 ALA A O 1 ATOM 1219 C CB . ALA A 1 167 ? -22.716 2.412 19.457 1.00 11.82 ? 191 ALA A CB 1 ATOM 1220 N N . GLN A 1 168 ? -21.587 5.002 20.993 1.00 11.90 ? 192 GLN A N 1 ATOM 1221 C CA . GLN A 1 168 ? -21.804 6.354 21.525 1.00 12.13 ? 192 GLN A CA 1 ATOM 1222 C C . GLN A 1 168 ? -20.655 7.348 21.205 1.00 12.06 ? 192 GLN A C 1 ATOM 1223 O O . GLN A 1 168 ? -20.907 8.520 20.930 1.00 11.72 ? 192 GLN A O 1 ATOM 1224 C CB . GLN A 1 168 ? -22.096 6.306 23.042 1.00 12.06 ? 192 GLN A CB 1 ATOM 1225 C CG . GLN A 1 168 ? -22.376 7.686 23.678 1.00 12.11 ? 192 GLN A CG 1 ATOM 1226 C CD . GLN A 1 168 ? -22.671 7.644 25.173 1.00 12.59 ? 192 GLN A CD 1 ATOM 1227 O OE1 . GLN A 1 168 ? -22.800 8.690 25.823 1.00 14.82 ? 192 GLN A OE1 1 ATOM 1228 N NE2 . GLN A 1 168 ? -22.788 6.449 25.723 1.00 11.20 ? 192 GLN A NE2 1 ATOM 1229 N N . TYR A 1 169 ? -19.407 6.881 21.223 1.00 12.05 ? 193 TYR A N 1 ATOM 1230 C CA . TYR A 1 169 ? -18.259 7.794 21.201 1.00 11.79 ? 193 TYR A CA 1 ATOM 1231 C C . TYR A 1 169 ? -17.368 7.768 19.950 1.00 11.94 ? 193 TYR A C 1 ATOM 1232 O O . TYR A 1 169 ? -16.394 8.526 19.880 1.00 11.91 ? 193 TYR A O 1 ATOM 1233 C CB . TYR A 1 169 ? -17.391 7.572 22.447 1.00 11.72 ? 193 TYR A CB 1 ATOM 1234 C CG . TYR A 1 169 ? -18.069 7.922 23.765 1.00 12.21 ? 193 TYR A CG 1 ATOM 1235 C CD1 . TYR A 1 169 ? -18.146 9.245 24.201 1.00 13.19 ? 193 TYR A CD1 1 ATOM 1236 C CD2 . TYR A 1 169 ? -18.601 6.926 24.590 1.00 12.48 ? 193 TYR A CD2 1 ATOM 1237 C CE1 . TYR A 1 169 ? -18.753 9.571 25.418 1.00 12.88 ? 193 TYR A CE1 1 ATOM 1238 C CE2 . TYR A 1 169 ? -19.204 7.241 25.813 1.00 11.78 ? 193 TYR A CE2 1 ATOM 1239 C CZ . TYR A 1 169 ? -19.278 8.570 26.214 1.00 12.33 ? 193 TYR A CZ 1 ATOM 1240 O OH . TYR A 1 169 ? -19.869 8.904 27.417 1.00 11.63 ? 193 TYR A OH 1 ATOM 1241 N N . TRP A 1 170 ? -17.686 6.928 18.964 1.00 12.29 ? 194 TRP A N 1 ATOM 1242 C CA . TRP A 1 170 ? -16.793 6.771 17.799 1.00 11.99 ? 194 TRP A CA 1 ATOM 1243 C C . TRP A 1 170 ? -16.512 8.097 17.085 1.00 12.55 ? 194 TRP A C 1 ATOM 1244 O O . TRP A 1 170 ? -15.393 8.333 16.606 1.00 12.47 ? 194 TRP A O 1 ATOM 1245 C CB . TRP A 1 170 ? -17.323 5.725 16.808 1.00 12.15 ? 194 TRP A CB 1 ATOM 1246 C CG . TRP A 1 170 ? -18.553 6.128 16.061 1.00 11.62 ? 194 TRP A CG 1 ATOM 1247 C CD1 . TRP A 1 170 ? -19.842 5.844 16.400 1.00 12.40 ? 194 TRP A CD1 1 ATOM 1248 C CD2 . TRP A 1 170 ? -18.616 6.889 14.844 1.00 12.49 ? 194 TRP A CD2 1 ATOM 1249 N NE1 . TRP A 1 170 ? -20.710 6.384 15.476 1.00 11.91 ? 194 TRP A NE1 1 ATOM 1250 C CE2 . TRP A 1 170 ? -19.982 7.034 14.513 1.00 11.77 ? 194 TRP A CE2 1 ATOM 1251 C CE3 . TRP A 1 170 ? -17.652 7.471 14.007 1.00 11.79 ? 194 TRP A CE3 1 ATOM 1252 C CZ2 . TRP A 1 170 ? -20.408 7.725 13.376 1.00 12.18 ? 194 TRP A CZ2 1 ATOM 1253 C CZ3 . TRP A 1 170 ? -18.077 8.160 12.879 1.00 11.77 ? 194 TRP A CZ3 1 ATOM 1254 C CH2 . TRP A 1 170 ? -19.443 8.278 12.574 1.00 12.54 ? 194 TRP A CH2 1 ATOM 1255 N N . ASN A 1 171 ? -17.525 8.962 17.026 1.00 12.70 ? 195 ASN A N 1 ATOM 1256 C CA . ASN A 1 171 ? -17.454 10.210 16.239 1.00 13.06 ? 195 ASN A CA 1 ATOM 1257 C C . ASN A 1 171 ? -16.895 11.390 17.047 1.00 13.05 ? 195 ASN A C 1 ATOM 1258 O O . ASN A 1 171 ? -17.125 12.557 16.704 1.00 12.66 ? 195 ASN A O 1 ATOM 1259 C CB . ASN A 1 171 ? -18.842 10.530 15.640 1.00 12.93 ? 195 ASN A CB 1 ATOM 1260 C CG . ASN A 1 171 ? -18.792 11.524 14.476 1.00 14.91 ? 195 ASN A CG 1 ATOM 1261 O OD1 . ASN A 1 171 ? -19.733 12.306 14.292 1.00 15.22 ? 195 ASN A OD1 1 ATOM 1262 N ND2 . ASN A 1 171 ? -17.708 11.485 13.683 1.00 16.48 ? 195 ASN A ND2 1 ATOM 1263 N N . GLN A 1 172 ? -16.170 11.069 18.121 1.00 12.81 ? 196 GLN A N 1 ATOM 1264 C CA . GLN A 1 172 ? -15.499 12.054 18.970 1.00 13.41 ? 196 GLN A CA 1 ATOM 1265 C C . GLN A 1 172 ? -13.983 11.890 18.868 1.00 13.24 ? 196 GLN A C 1 ATOM 1266 O O . GLN A 1 172 ? -13.493 10.784 18.688 1.00 12.77 ? 196 GLN A O 1 ATOM 1267 C CB . GLN A 1 172 ? -15.915 11.891 20.444 1.00 13.60 ? 196 GLN A CB 1 ATOM 1268 C CG . GLN A 1 172 ? -17.402 12.121 20.733 1.00 16.61 ? 196 GLN A CG 1 ATOM 1269 C CD . GLN A 1 172 ? -17.912 13.458 20.201 1.00 19.43 ? 196 GLN A CD 1 ATOM 1270 O OE1 . GLN A 1 172 ? -18.878 13.501 19.446 1.00 22.56 ? 196 GLN A OE1 1 ATOM 1271 N NE2 . GLN A 1 172 ? -17.252 14.545 20.576 1.00 20.13 ? 196 GLN A NE2 1 ATOM 1272 N N . THR A 1 173 ? -13.259 13.001 18.999 1.00 13.10 ? 197 THR A N 1 ATOM 1273 C CA . THR A 1 173 ? -11.804 12.998 18.920 1.00 13.45 ? 197 THR A CA 1 ATOM 1274 C C . THR A 1 173 ? -11.218 12.365 20.181 1.00 13.00 ? 197 THR A C 1 ATOM 1275 O O . THR A 1 173 ? -11.857 12.344 21.243 1.00 13.01 ? 197 THR A O 1 ATOM 1276 C CB . THR A 1 173 ? -11.227 14.430 18.750 1.00 13.32 ? 197 THR A CB 1 ATOM 1277 O OG1 . THR A 1 173 ? -11.688 15.256 19.821 1.00 13.93 ? 197 THR A OG1 1 ATOM 1278 C CG2 . THR A 1 173 ? -11.661 15.043 17.431 1.00 14.39 ? 197 THR A CG2 1 ATOM 1279 N N . GLY A 1 174 ? -10.016 11.825 20.044 1.00 12.53 ? 198 GLY A N 1 ATOM 1280 C CA . GLY A 1 174 ? -9.277 11.252 21.170 1.00 12.10 ? 198 GLY A CA 1 ATOM 1281 C C . GLY A 1 174 ? -7.835 11.106 20.748 1.00 11.24 ? 198 GLY A C 1 ATOM 1282 O O . GLY A 1 174 ? -7.442 11.595 19.692 1.00 11.72 ? 198 GLY A O 1 ATOM 1283 N N . TYR A 1 175 ? -7.032 10.430 21.554 1.00 10.54 ? 199 TYR A N 1 ATOM 1284 C CA . TYR A 1 175 ? -5.635 10.234 21.177 1.00 9.97 ? 199 TYR A CA 1 ATOM 1285 C C . TYR A 1 175 ? -5.463 8.952 20.379 1.00 9.64 ? 199 TYR A C 1 ATOM 1286 O O . TYR A 1 175 ? -6.243 8.021 20.534 1.00 9.33 ? 199 TYR A O 1 ATOM 1287 C CB . TYR A 1 175 ? -4.726 10.291 22.416 1.00 9.69 ? 199 TYR A CB 1 ATOM 1288 C CG . TYR A 1 175 ? -4.698 11.675 23.046 1.00 9.56 ? 199 TYR A CG 1 ATOM 1289 C CD1 . TYR A 1 175 ? -5.681 12.070 23.960 1.00 9.16 ? 199 TYR A CD1 1 ATOM 1290 C CD2 . TYR A 1 175 ? -3.692 12.596 22.721 1.00 10.08 ? 199 TYR A CD2 1 ATOM 1291 C CE1 . TYR A 1 175 ? -5.662 13.352 24.548 1.00 9.32 ? 199 TYR A CE1 1 ATOM 1292 C CE2 . TYR A 1 175 ? -3.667 13.887 23.300 1.00 10.38 ? 199 TYR A CE2 1 ATOM 1293 C CZ . TYR A 1 175 ? -4.648 14.250 24.214 1.00 9.56 ? 199 TYR A CZ 1 ATOM 1294 O OH . TYR A 1 175 ? -4.641 15.509 24.788 1.00 8.90 ? 199 TYR A OH 1 ATOM 1295 N N . ASP A 1 176 ? -4.463 8.930 19.501 1.00 9.64 ? 200 ASP A N 1 ATOM 1296 C CA . ASP A 1 176 ? -4.160 7.765 18.674 1.00 9.32 ? 200 ASP A CA 1 ATOM 1297 C C . ASP A 1 176 ? -3.473 6.655 19.487 1.00 9.49 ? 200 ASP A C 1 ATOM 1298 O O . ASP A 1 176 ? -3.166 6.842 20.678 1.00 8.95 ? 200 ASP A O 1 ATOM 1299 C CB . ASP A 1 176 ? -3.294 8.181 17.475 1.00 9.47 ? 200 ASP A CB 1 ATOM 1300 C CG . ASP A 1 176 ? -1.871 8.550 17.879 1.00 8.53 ? 200 ASP A CG 1 ATOM 1301 O OD1 . ASP A 1 176 ? -1.716 9.235 18.888 1.00 6.65 ? 200 ASP A OD1 1 ATOM 1302 O OD2 . ASP A 1 176 ? -0.919 8.154 17.183 1.00 10.63 ? 200 ASP A OD2 1 ATOM 1303 N N . LEU A 1 177 ? -3.219 5.517 18.836 1.00 9.49 ? 201 LEU A N 1 ATOM 1304 C CA . LEU A 1 177 ? -2.607 4.350 19.485 1.00 9.51 ? 201 LEU A CA 1 ATOM 1305 C C . LEU A 1 177 ? -1.196 4.628 20.018 1.00 10.11 ? 201 LEU A C 1 ATOM 1306 O O . LEU A 1 177 ? -0.747 3.959 20.937 1.00 10.82 ? 201 LEU A O 1 ATOM 1307 C CB . LEU A 1 177 ? -2.589 3.129 18.543 1.00 9.46 ? 201 LEU A CB 1 ATOM 1308 C CG . LEU A 1 177 ? -1.502 2.971 17.464 1.00 9.97 ? 201 LEU A CG 1 ATOM 1309 C CD1 . LEU A 1 177 ? -1.537 1.552 16.894 1.00 10.45 ? 201 LEU A CD1 1 ATOM 1310 C CD2 . LEU A 1 177 ? -1.629 4.011 16.346 1.00 9.94 ? 201 LEU A CD2 1 ATOM 1311 N N . TRP A 1 178 ? -0.507 5.612 19.434 1.00 9.95 ? 202 TRP A N 1 ATOM 1312 C CA . TRP A 1 178 ? 0.813 6.021 19.922 1.00 10.20 ? 202 TRP A CA 1 ATOM 1313 C C . TRP A 1 178 ? 0.700 7.012 21.091 1.00 9.98 ? 202 TRP A C 1 ATOM 1314 O O . TRP A 1 178 ? 1.708 7.401 21.678 1.00 10.41 ? 202 TRP A O 1 ATOM 1315 C CB . TRP A 1 178 ? 1.677 6.593 18.785 1.00 9.70 ? 202 TRP A CB 1 ATOM 1316 C CG . TRP A 1 178 ? 1.822 5.689 17.557 1.00 8.56 ? 202 TRP A CG 1 ATOM 1317 C CD1 . TRP A 1 178 ? 1.750 6.078 16.253 1.00 8.65 ? 202 TRP A CD1 1 ATOM 1318 C CD2 . TRP A 1 178 ? 2.069 4.271 17.534 1.00 7.48 ? 202 TRP A CD2 1 ATOM 1319 N NE1 . TRP A 1 178 ? 1.939 5.009 15.417 1.00 9.64 ? 202 TRP A NE1 1 ATOM 1320 C CE2 . TRP A 1 178 ? 2.131 3.883 16.174 1.00 8.17 ? 202 TRP A CE2 1 ATOM 1321 C CE3 . TRP A 1 178 ? 2.264 3.296 18.526 1.00 7.61 ? 202 TRP A CE3 1 ATOM 1322 C CZ2 . TRP A 1 178 ? 2.361 2.567 15.776 1.00 8.38 ? 202 TRP A CZ2 1 ATOM 1323 C CZ3 . TRP A 1 178 ? 2.500 1.972 18.122 1.00 8.77 ? 202 TRP A CZ3 1 ATOM 1324 C CH2 . TRP A 1 178 ? 2.542 1.628 16.758 1.00 8.97 ? 202 TRP A CH2 1 ATOM 1325 N N . GLU A 1 179 ? -0.541 7.384 21.437 1.00 10.33 ? 203 GLU A N 1 ATOM 1326 C CA . GLU A 1 179 ? -0.873 8.214 22.614 1.00 10.65 ? 203 GLU A CA 1 ATOM 1327 C C . GLU A 1 179 ? -0.417 9.681 22.485 1.00 11.50 ? 203 GLU A C 1 ATOM 1328 O O . GLU A 1 179 ? -0.248 10.377 23.494 1.00 11.32 ? 203 GLU A O 1 ATOM 1329 C CB . GLU A 1 179 ? -0.325 7.596 23.924 1.00 11.13 ? 203 GLU A CB 1 ATOM 1330 C CG . GLU A 1 179 ? -0.291 6.047 23.951 1.00 9.13 ? 203 GLU A CG 1 ATOM 1331 C CD . GLU A 1 179 ? -0.055 5.496 25.349 1.00 10.87 ? 203 GLU A CD 1 ATOM 1332 O OE1 . GLU A 1 179 ? 1.110 5.200 25.692 1.00 12.46 ? 203 GLU A OE1 1 ATOM 1333 O OE2 . GLU A 1 179 ? -1.035 5.370 26.112 1.00 10.32 ? 203 GLU A OE2 1 ATOM 1334 N N . GLU A 1 180 ? -0.242 10.143 21.246 1.00 11.72 ? 204 GLU A N 1 ATOM 1335 C CA . GLU A 1 180 ? 0.447 11.412 20.976 1.00 12.09 ? 204 GLU A CA 1 ATOM 1336 C C . GLU A 1 180 ? -0.422 12.431 20.234 1.00 12.58 ? 204 GLU A C 1 ATOM 1337 O O . GLU A 1 180 ? -0.371 13.628 20.528 1.00 13.30 ? 204 GLU A O 1 ATOM 1338 C CB . GLU A 1 180 ? 1.738 11.145 20.174 1.00 12.09 ? 204 GLU A CB 1 ATOM 1339 C CG . GLU A 1 180 ? 2.778 10.327 20.945 1.00 11.99 ? 204 GLU A CG 1 ATOM 1340 C CD . GLU A 1 180 ? 3.858 9.709 20.066 1.00 12.46 ? 204 GLU A CD 1 ATOM 1341 O OE1 . GLU A 1 180 ? 3.668 9.583 18.832 1.00 13.25 ? 204 GLU A OE1 1 ATOM 1342 O OE2 . GLU A 1 180 ? 4.903 9.332 20.627 1.00 13.46 ? 204 GLU A OE2 1 ATOM 1343 N N . VAL A 1 181 ? -1.211 11.956 19.277 1.00 12.21 ? 205 VAL A N 1 ATOM 1344 C CA . VAL A 1 181 ? -1.946 12.856 18.397 1.00 12.49 ? 205 VAL A CA 1 ATOM 1345 C C . VAL A 1 181 ? -3.415 12.882 18.800 1.00 12.47 ? 205 VAL A C 1 ATOM 1346 O O . VAL A 1 181 ? -4.089 11.856 18.738 1.00 12.00 ? 205 VAL A O 1 ATOM 1347 C CB . VAL A 1 181 ? -1.813 12.425 16.917 1.00 12.19 ? 205 VAL A CB 1 ATOM 1348 C CG1 . VAL A 1 181 ? -2.704 13.277 16.015 1.00 13.21 ? 205 VAL A CG1 1 ATOM 1349 C CG2 . VAL A 1 181 ? -0.372 12.522 16.477 1.00 11.95 ? 205 VAL A CG2 1 ATOM 1350 N N . ASN A 1 182 ? -3.898 14.049 19.232 1.00 12.73 ? 206 ASN A N 1 ATOM 1351 C CA . ASN A 1 182 ? -5.330 14.216 19.489 1.00 13.20 ? 206 ASN A CA 1 ATOM 1352 C C . ASN A 1 182 ? -6.051 14.510 18.176 1.00 13.27 ? 206 ASN A C 1 ATOM 1353 O O . ASN A 1 182 ? -5.709 15.456 17.463 1.00 13.78 ? 206 ASN A O 1 ATOM 1354 C CB . ASN A 1 182 ? -5.600 15.306 20.531 1.00 13.44 ? 206 ASN A CB 1 ATOM 1355 C CG . ASN A 1 182 ? -7.053 15.360 20.957 1.00 14.37 ? 206 ASN A CG 1 ATOM 1356 O OD1 . ASN A 1 182 ? -7.793 16.231 20.532 1.00 18.32 ? 206 ASN A OD1 1 ATOM 1357 N ND2 . ASN A 1 182 ? -7.465 14.432 21.803 1.00 16.99 ? 206 ASN A ND2 1 ATOM 1358 N N . GLY A 1 183 ? -7.011 13.658 17.844 1.00 13.21 ? 207 GLY A N 1 ATOM 1359 C CA . GLY A 1 183 ? -7.825 13.825 16.656 1.00 13.03 ? 207 GLY A CA 1 ATOM 1360 C C . GLY A 1 183 ? -8.639 12.571 16.413 1.00 12.97 ? 207 GLY A C 1 ATOM 1361 O O . GLY A 1 183 ? -9.206 11.989 17.347 1.00 12.10 ? 207 GLY A O 1 ATOM 1362 N N . SER A 1 184 ? -8.668 12.150 15.155 1.00 12.73 ? 208 SER A N 1 ATOM 1363 C CA . SER A 1 184 ? -9.349 10.935 14.745 1.00 13.20 ? 208 SER A CA 1 ATOM 1364 C C . SER A 1 184 ? -8.357 10.095 13.957 1.00 12.77 ? 208 SER A C 1 ATOM 1365 O O . SER A 1 184 ? -7.711 10.603 13.043 1.00 13.21 ? 208 SER A O 1 ATOM 1366 C CB . SER A 1 184 ? -10.561 11.308 13.883 1.00 13.61 ? 208 SER A CB 1 ATOM 1367 O OG . SER A 1 184 ? -11.370 10.173 13.626 1.00 16.18 ? 208 SER A OG 1 ATOM 1368 N N . SER A 1 185 ? -8.257 8.808 14.288 1.00 12.08 ? 209 SER A N 1 ATOM 1369 C CA . SER A 1 185 ? -7.148 7.963 13.831 1.00 11.66 ? 209 SER A CA 1 ATOM 1370 C C . SER A 1 185 ? -7.596 6.735 13.043 1.00 10.91 ? 209 SER A C 1 ATOM 1371 O O . SER A 1 185 ? -8.558 6.075 13.426 1.00 11.20 ? 209 SER A O 1 ATOM 1372 C CB . SER A 1 185 ? -6.324 7.523 15.040 1.00 11.59 ? 209 SER A CB 1 ATOM 1373 O OG . SER A 1 185 ? -5.097 6.943 14.631 1.00 12.76 ? 209 SER A OG 1 ATOM 1374 N N . PHE A 1 186 ? -6.914 6.442 11.935 1.00 10.88 ? 210 PHE A N 1 ATOM 1375 C CA . PHE A 1 186 ? -7.322 5.323 11.084 1.00 10.60 ? 210 PHE A CA 1 ATOM 1376 C C . PHE A 1 186 ? -7.448 3.995 11.847 1.00 10.82 ? 210 PHE A C 1 ATOM 1377 O O . PHE A 1 186 ? -8.469 3.308 11.736 1.00 11.30 ? 210 PHE A O 1 ATOM 1378 C CB . PHE A 1 186 ? -6.388 5.143 9.886 1.00 10.58 ? 210 PHE A CB 1 ATOM 1379 C CG . PHE A 1 186 ? -6.718 3.943 9.055 1.00 10.47 ? 210 PHE A CG 1 ATOM 1380 C CD1 . PHE A 1 186 ? -7.739 3.998 8.104 1.00 10.34 ? 210 PHE A CD1 1 ATOM 1381 C CD2 . PHE A 1 186 ? -6.033 2.742 9.236 1.00 9.66 ? 210 PHE A CD2 1 ATOM 1382 C CE1 . PHE A 1 186 ? -8.047 2.889 7.340 1.00 10.27 ? 210 PHE A CE1 1 ATOM 1383 C CE2 . PHE A 1 186 ? -6.347 1.624 8.477 1.00 10.04 ? 210 PHE A CE2 1 ATOM 1384 C CZ . PHE A 1 186 ? -7.365 1.698 7.530 1.00 9.64 ? 210 PHE A CZ 1 ATOM 1385 N N . PHE A 1 187 ? -6.403 3.632 12.594 1.00 10.11 ? 211 PHE A N 1 ATOM 1386 C CA . PHE A 1 187 ? -6.382 2.366 13.321 1.00 9.70 ? 211 PHE A CA 1 ATOM 1387 C C . PHE A 1 187 ? -7.618 2.293 14.199 1.00 9.38 ? 211 PHE A C 1 ATOM 1388 O O . PHE A 1 187 ? -8.314 1.290 14.200 1.00 9.31 ? 211 PHE A O 1 ATOM 1389 C CB . PHE A 1 187 ? -5.113 2.245 14.182 1.00 9.18 ? 211 PHE A CB 1 ATOM 1390 C CG . PHE A 1 187 ? -5.110 1.059 15.119 1.00 10.28 ? 211 PHE A CG 1 ATOM 1391 C CD1 . PHE A 1 187 ? -4.715 -0.200 14.671 1.00 10.12 ? 211 PHE A CD1 1 ATOM 1392 C CD2 . PHE A 1 187 ? -5.476 1.211 16.456 1.00 9.63 ? 211 PHE A CD2 1 ATOM 1393 C CE1 . PHE A 1 187 ? -4.684 -1.299 15.535 1.00 11.41 ? 211 PHE A CE1 1 ATOM 1394 C CE2 . PHE A 1 187 ? -5.446 0.127 17.338 1.00 9.97 ? 211 PHE A CE2 1 ATOM 1395 C CZ . PHE A 1 187 ? -5.049 -1.136 16.880 1.00 10.08 ? 211 PHE A CZ 1 ATOM 1396 N N . THR A 1 188 ? -7.880 3.371 14.932 1.00 8.54 ? 212 THR A N 1 ATOM 1397 C CA . THR A 1 188 ? -8.988 3.413 15.877 1.00 8.73 ? 212 THR A CA 1 ATOM 1398 C C . THR A 1 188 ? -10.336 3.207 15.178 1.00 8.86 ? 212 THR A C 1 ATOM 1399 O O . THR A 1 188 ? -11.116 2.346 15.580 1.00 9.20 ? 212 THR A O 1 ATOM 1400 C CB . THR A 1 188 ? -8.973 4.724 16.674 1.00 8.77 ? 212 THR A CB 1 ATOM 1401 O OG1 . THR A 1 188 ? -7.713 4.834 17.346 1.00 8.38 ? 212 THR A OG1 1 ATOM 1402 C CG2 . THR A 1 188 ? -10.118 4.778 17.695 1.00 7.38 ? 212 THR A CG2 1 ATOM 1403 N N . ILE A 1 189 ? -10.583 3.974 14.122 1.00 8.65 ? 213 ILE A N 1 ATOM 1404 C CA . ILE A 1 189 ? -11.822 3.857 13.344 1.00 8.69 ? 213 ILE A CA 1 ATOM 1405 C C . ILE A 1 189 ? -11.986 2.443 12.743 1.00 9.17 ? 213 ILE A C 1 ATOM 1406 O O . ILE A 1 189 ? -13.065 1.854 12.819 1.00 9.49 ? 213 ILE A O 1 ATOM 1407 C CB . ILE A 1 189 ? -11.935 4.977 12.264 1.00 8.90 ? 213 ILE A CB 1 ATOM 1408 C CG1 . ILE A 1 189 ? -11.875 6.376 12.896 1.00 8.85 ? 213 ILE A CG1 1 ATOM 1409 C CG2 . ILE A 1 189 ? -13.228 4.859 11.451 1.00 8.39 ? 213 ILE A CG2 1 ATOM 1410 C CD1 . ILE A 1 189 ? -12.927 6.632 14.004 1.00 9.20 ? 213 ILE A CD1 1 ATOM 1411 N N . ALA A 1 190 ? -10.917 1.903 12.160 1.00 9.19 ? 214 ALA A N 1 ATOM 1412 C CA . ALA A 1 190 ? -10.970 0.557 11.562 1.00 9.39 ? 214 ALA A CA 1 ATOM 1413 C C . ALA A 1 190 ? -11.375 -0.526 12.573 1.00 9.46 ? 214 ALA A C 1 ATOM 1414 O O . ALA A 1 190 ? -12.277 -1.323 12.299 1.00 9.89 ? 214 ALA A O 1 ATOM 1415 C CB . ALA A 1 190 ? -9.651 0.212 10.880 1.00 8.95 ? 214 ALA A CB 1 ATOM 1416 N N . VAL A 1 191 ? -10.730 -0.537 13.744 1.00 9.39 ? 215 VAL A N 1 ATOM 1417 C CA . VAL A 1 191 ? -11.017 -1.545 14.776 1.00 8.93 ? 215 VAL A CA 1 ATOM 1418 C C . VAL A 1 191 ? -12.362 -1.355 15.461 1.00 9.10 ? 215 VAL A C 1 ATOM 1419 O O . VAL A 1 191 ? -12.971 -2.324 15.900 1.00 9.13 ? 215 VAL A O 1 ATOM 1420 C CB . VAL A 1 191 ? -9.857 -1.711 15.828 1.00 8.75 ? 215 VAL A CB 1 ATOM 1421 C CG1 . VAL A 1 191 ? -8.551 -2.058 15.098 1.00 8.42 ? 215 VAL A CG1 1 ATOM 1422 C CG2 . VAL A 1 191 ? -9.707 -0.462 16.727 1.00 8.86 ? 215 VAL A CG2 1 ATOM 1423 N N . GLN A 1 192 ? -12.813 -0.106 15.556 1.00 9.15 ? 216 GLN A N 1 ATOM 1424 C CA . GLN A 1 192 ? -14.164 0.197 16.039 1.00 9.44 ? 216 GLN A CA 1 ATOM 1425 C C . GLN A 1 192 ? -15.218 -0.361 15.085 1.00 9.64 ? 216 GLN A C 1 ATOM 1426 O O . GLN A 1 192 ? -16.191 -0.963 15.530 1.00 9.79 ? 216 GLN A O 1 ATOM 1427 C CB . GLN A 1 192 ? -14.357 1.713 16.227 1.00 9.16 ? 216 GLN A CB 1 ATOM 1428 C CG . GLN A 1 192 ? -13.708 2.247 17.504 1.00 9.23 ? 216 GLN A CG 1 ATOM 1429 C CD . GLN A 1 192 ? -13.735 3.762 17.607 1.00 10.15 ? 216 GLN A CD 1 ATOM 1430 O OE1 . GLN A 1 192 ? -13.826 4.467 16.605 1.00 9.87 ? 216 GLN A OE1 1 ATOM 1431 N NE2 . GLN A 1 192 ? -13.650 4.269 18.834 1.00 10.82 ? 216 GLN A NE2 1 ATOM 1432 N N . HIS A 1 193 ? -15.013 -0.179 13.780 1.00 10.01 ? 217 HIS A N 1 ATOM 1433 C CA . HIS A 1 193 ? -15.964 -0.693 12.793 1.00 10.25 ? 217 HIS A CA 1 ATOM 1434 C C . HIS A 1 193 ? -16.073 -2.200 12.920 1.00 10.76 ? 217 HIS A C 1 ATOM 1435 O O . HIS A 1 193 ? -17.177 -2.739 13.007 1.00 10.17 ? 217 HIS A O 1 ATOM 1436 C CB . HIS A 1 193 ? -15.587 -0.324 11.362 1.00 10.20 ? 217 HIS A CB 1 ATOM 1437 C CG . HIS A 1 193 ? -16.421 -1.034 10.337 1.00 11.34 ? 217 HIS A CG 1 ATOM 1438 N ND1 . HIS A 1 193 ? -15.921 -2.028 9.526 1.00 11.52 ? 217 HIS A ND1 1 ATOM 1439 C CD2 . HIS A 1 193 ? -17.735 -0.920 10.028 1.00 11.06 ? 217 HIS A CD2 1 ATOM 1440 C CE1 . HIS A 1 193 ? -16.885 -2.480 8.743 1.00 12.44 ? 217 HIS A CE1 1 ATOM 1441 N NE2 . HIS A 1 193 ? -17.995 -1.823 9.027 1.00 10.54 ? 217 HIS A NE2 1 ATOM 1442 N N . ARG A 1 194 ? -14.917 -2.867 12.956 1.00 10.33 ? 218 ARG A N 1 ATOM 1443 C CA . ARG A 1 194 ? -14.851 -4.307 13.155 1.00 10.91 ? 218 ARG A CA 1 ATOM 1444 C C . ARG A 1 194 ? -15.613 -4.753 14.410 1.00 10.99 ? 218 ARG A C 1 ATOM 1445 O O . ARG A 1 194 ? -16.429 -5.682 14.346 1.00 10.86 ? 218 ARG A O 1 ATOM 1446 C CB . ARG A 1 194 ? -13.390 -4.776 13.249 1.00 10.47 ? 218 ARG A CB 1 ATOM 1447 C CG . ARG A 1 194 ? -13.308 -6.231 13.621 1.00 11.29 ? 218 ARG A CG 1 ATOM 1448 C CD . ARG A 1 194 ? -11.913 -6.775 13.848 1.00 11.62 ? 218 ARG A CD 1 ATOM 1449 N NE . ARG A 1 194 ? -12.085 -8.116 14.397 1.00 10.35 ? 218 ARG A NE 1 ATOM 1450 C CZ . ARG A 1 194 ? -11.323 -9.169 14.134 1.00 11.27 ? 218 ARG A CZ 1 ATOM 1451 N NH1 . ARG A 1 194 ? -10.276 -9.075 13.325 1.00 10.22 ? 218 ARG A NH1 1 ATOM 1452 N NH2 . ARG A 1 194 ? -11.631 -10.335 14.684 1.00 10.56 ? 218 ARG A NH2 1 ATOM 1453 N N . ALA A 1 195 ? -15.337 -4.097 15.540 1.00 11.01 ? 219 ALA A N 1 ATOM 1454 C CA . ALA A 1 195 ? -15.940 -4.479 16.820 1.00 11.18 ? 219 ALA A CA 1 ATOM 1455 C C . ALA A 1 195 ? -17.469 -4.454 16.802 1.00 11.91 ? 219 ALA A C 1 ATOM 1456 O O . ALA A 1 195 ? -18.112 -5.373 17.318 1.00 11.84 ? 219 ALA A O 1 ATOM 1457 C CB . ALA A 1 195 ? -15.405 -3.616 17.958 1.00 11.01 ? 219 ALA A CB 1 ATOM 1458 N N . LEU A 1 196 ? -18.045 -3.416 16.202 1.00 12.37 ? 220 LEU A N 1 ATOM 1459 C CA . LEU A 1 196 ? -19.505 -3.301 16.132 1.00 13.20 ? 220 LEU A CA 1 ATOM 1460 C C . LEU A 1 196 ? -20.127 -4.402 15.275 1.00 13.65 ? 220 LEU A C 1 ATOM 1461 O O . LEU A 1 196 ? -21.217 -4.882 15.579 1.00 13.78 ? 220 LEU A O 1 ATOM 1462 C CB . LEU A 1 196 ? -19.922 -1.927 15.601 1.00 13.18 ? 220 LEU A CB 1 ATOM 1463 C CG . LEU A 1 196 ? -19.630 -0.693 16.454 1.00 12.09 ? 220 LEU A CG 1 ATOM 1464 C CD1 . LEU A 1 196 ? -20.417 0.470 15.904 1.00 12.30 ? 220 LEU A CD1 1 ATOM 1465 C CD2 . LEU A 1 196 ? -19.972 -0.907 17.921 1.00 10.89 ? 220 LEU A CD2 1 ATOM 1466 N N . VAL A 1 197 ? -19.427 -4.797 14.210 1.00 14.14 ? 221 VAL A N 1 ATOM 1467 C CA . VAL A 1 197 ? -19.936 -5.815 13.291 1.00 14.56 ? 221 VAL A CA 1 ATOM 1468 C C . VAL A 1 197 ? -19.950 -7.206 13.936 1.00 14.63 ? 221 VAL A C 1 ATOM 1469 O O . VAL A 1 197 ? -20.997 -7.857 13.986 1.00 14.40 ? 221 VAL A O 1 ATOM 1470 C CB . VAL A 1 197 ? -19.161 -5.843 11.961 1.00 14.67 ? 221 VAL A CB 1 ATOM 1471 C CG1 . VAL A 1 197 ? -19.631 -7.015 11.090 1.00 15.48 ? 221 VAL A CG1 1 ATOM 1472 C CG2 . VAL A 1 197 ? -19.332 -4.525 11.218 1.00 15.03 ? 221 VAL A CG2 1 ATOM 1473 N N . GLU A 1 198 ? -18.802 -7.654 14.445 1.00 14.49 ? 222 GLU A N 1 ATOM 1474 C CA . GLU A 1 198 ? -18.748 -8.948 15.130 1.00 14.61 ? 222 GLU A CA 1 ATOM 1475 C C . GLU A 1 198 ? -19.483 -8.914 16.474 1.00 14.26 ? 222 GLU A C 1 ATOM 1476 O O . GLU A 1 198 ? -19.990 -9.934 16.925 1.00 13.68 ? 222 GLU A O 1 ATOM 1477 C CB . GLU A 1 198 ? -17.308 -9.468 15.281 1.00 14.78 ? 222 GLU A CB 1 ATOM 1478 C CG . GLU A 1 198 ? -16.371 -8.550 16.050 1.00 15.26 ? 222 GLU A CG 1 ATOM 1479 C CD . GLU A 1 198 ? -14.921 -9.034 16.061 1.00 15.17 ? 222 GLU A CD 1 ATOM 1480 O OE1 . GLU A 1 198 ? -14.632 -10.180 15.660 1.00 15.98 ? 222 GLU A OE1 1 ATOM 1481 O OE2 . GLU A 1 198 ? -14.061 -8.254 16.489 1.00 15.90 ? 222 GLU A OE2 1 ATOM 1482 N N . GLY A 1 199 ? -19.564 -7.735 17.091 1.00 14.08 ? 223 GLY A N 1 ATOM 1483 C CA . GLY A 1 199 ? -20.300 -7.569 18.353 1.00 14.47 ? 223 GLY A CA 1 ATOM 1484 C C . GLY A 1 199 ? -21.805 -7.780 18.217 1.00 14.85 ? 223 GLY A C 1 ATOM 1485 O O . GLY A 1 199 ? -22.448 -8.350 19.109 1.00 14.46 ? 223 GLY A O 1 ATOM 1486 N N . SER A 1 200 ? -22.357 -7.310 17.100 1.00 14.92 ? 224 SER A N 1 ATOM 1487 C CA . SER A 1 200 ? -23.764 -7.514 16.771 1.00 15.71 ? 224 SER A CA 1 ATOM 1488 C C . SER A 1 200 ? -24.069 -9.001 16.543 1.00 15.87 ? 224 SER A C 1 ATOM 1489 O O . SER A 1 200 ? -25.088 -9.505 17.026 1.00 16.32 ? 224 SER A O 1 ATOM 1490 C CB . SER A 1 200 ? -24.150 -6.684 15.546 1.00 15.69 ? 224 SER A CB 1 ATOM 1491 O OG . SER A 1 200 ? -25.515 -6.870 15.201 1.00 16.34 ? 224 SER A OG 1 ATOM 1492 N N . ALA A 1 201 ? -23.177 -9.697 15.831 1.00 15.48 ? 225 ALA A N 1 ATOM 1493 C CA . ALA A 1 201 ? -23.322 -11.137 15.606 1.00 15.27 ? 225 ALA A CA 1 ATOM 1494 C C . ALA A 1 201 ? -23.226 -11.942 16.898 1.00 15.06 ? 225 ALA A C 1 ATOM 1495 O O . ALA A 1 201 ? -23.955 -12.922 17.073 1.00 15.00 ? 225 ALA A O 1 ATOM 1496 C CB . ALA A 1 201 ? -22.307 -11.630 14.582 1.00 15.57 ? 225 ALA A CB 1 ATOM 1497 N N . PHE A 1 202 ? -22.344 -11.528 17.810 1.00 14.32 ? 226 PHE A N 1 ATOM 1498 C CA . PHE A 1 202 ? -22.263 -12.175 19.122 1.00 14.07 ? 226 PHE A CA 1 ATOM 1499 C C . PHE A 1 202 ? -23.555 -11.968 19.914 1.00 14.35 ? 226 PHE A C 1 ATOM 1500 O O . PHE A 1 202 ? -24.058 -12.905 20.536 1.00 14.40 ? 226 PHE A O 1 ATOM 1501 C CB . PHE A 1 202 ? -21.044 -11.687 19.923 1.00 13.52 ? 226 PHE A CB 1 ATOM 1502 C CG . PHE A 1 202 ? -20.862 -12.397 21.241 1.00 12.31 ? 226 PHE A CG 1 ATOM 1503 C CD1 . PHE A 1 202 ? -20.731 -13.787 21.293 1.00 10.75 ? 226 PHE A CD1 1 ATOM 1504 C CD2 . PHE A 1 202 ? -20.805 -11.679 22.425 1.00 11.43 ? 226 PHE A CD2 1 ATOM 1505 C CE1 . PHE A 1 202 ? -20.563 -14.446 22.509 1.00 10.57 ? 226 PHE A CE1 1 ATOM 1506 C CE2 . PHE A 1 202 ? -20.636 -12.334 23.656 1.00 12.42 ? 226 PHE A CE2 1 ATOM 1507 C CZ . PHE A 1 202 ? -20.513 -13.720 23.693 1.00 11.17 ? 226 PHE A CZ 1 ATOM 1508 N N . ALA A 1 203 ? -24.091 -10.746 19.870 1.00 14.71 ? 227 ALA A N 1 ATOM 1509 C CA . ALA A 1 203 ? -25.350 -10.405 20.550 1.00 15.31 ? 227 ALA A CA 1 ATOM 1510 C C . ALA A 1 203 ? -26.482 -11.330 20.100 1.00 15.71 ? 227 ALA A C 1 ATOM 1511 O O . ALA A 1 203 ? -27.170 -11.928 20.927 1.00 15.57 ? 227 ALA A O 1 ATOM 1512 C CB . ALA A 1 203 ? -25.721 -8.950 20.301 1.00 15.13 ? 227 ALA A CB 1 ATOM 1513 N N . THR A 1 204 ? -26.652 -11.452 18.787 1.00 16.23 ? 228 THR A N 1 ATOM 1514 C CA . THR A 1 204 ? -27.620 -12.377 18.213 1.00 17.04 ? 228 THR A CA 1 ATOM 1515 C C . THR A 1 204 ? -27.374 -13.813 18.714 1.00 17.42 ? 228 THR A C 1 ATOM 1516 O O . THR A 1 204 ? -28.303 -14.472 19.182 1.00 17.39 ? 228 THR A O 1 ATOM 1517 C CB . THR A 1 204 ? -27.621 -12.308 16.669 1.00 17.15 ? 228 THR A CB 1 ATOM 1518 O OG1 . THR A 1 204 ? -27.921 -10.968 16.247 1.00 17.42 ? 228 THR A OG1 1 ATOM 1519 C CG2 . THR A 1 204 ? -28.657 -13.275 16.071 1.00 17.98 ? 228 THR A CG2 1 ATOM 1520 N N . ALA A 1 205 ? -26.120 -14.268 18.653 1.00 17.56 ? 229 ALA A N 1 ATOM 1521 C CA . ALA A 1 205 ? -25.758 -15.630 19.060 1.00 17.94 ? 229 ALA A CA 1 ATOM 1522 C C . ALA A 1 205 ? -26.091 -15.959 20.518 1.00 18.16 ? 229 ALA A C 1 ATOM 1523 O O . ALA A 1 205 ? -26.385 -17.118 20.835 1.00 18.47 ? 229 ALA A O 1 ATOM 1524 C CB . ALA A 1 205 ? -24.297 -15.913 18.773 1.00 18.13 ? 229 ALA A CB 1 ATOM 1525 N N . VAL A 1 206 ? -26.052 -14.954 21.395 1.00 18.05 ? 230 VAL A N 1 ATOM 1526 C CA . VAL A 1 206 ? -26.404 -15.159 22.812 1.00 17.99 ? 230 VAL A CA 1 ATOM 1527 C C . VAL A 1 206 ? -27.900 -14.955 23.090 1.00 18.16 ? 230 VAL A C 1 ATOM 1528 O O . VAL A 1 206 ? -28.334 -14.984 24.244 1.00 17.92 ? 230 VAL A O 1 ATOM 1529 C CB . VAL A 1 206 ? -25.539 -14.305 23.802 1.00 18.06 ? 230 VAL A CB 1 ATOM 1530 C CG1 . VAL A 1 206 ? -24.063 -14.697 23.728 1.00 17.45 ? 230 VAL A CG1 1 ATOM 1531 C CG2 . VAL A 1 206 ? -25.717 -12.807 23.565 1.00 17.91 ? 230 VAL A CG2 1 ATOM 1532 N N . GLY A 1 207 ? -28.682 -14.765 22.029 1.00 18.18 ? 231 GLY A N 1 ATOM 1533 C CA . GLY A 1 207 ? -30.127 -14.577 22.165 1.00 18.88 ? 231 GLY A CA 1 ATOM 1534 C C . GLY A 1 207 ? -30.502 -13.162 22.567 1.00 19.09 ? 231 GLY A C 1 ATOM 1535 O O . GLY A 1 207 ? -31.569 -12.935 23.151 1.00 18.94 ? 231 GLY A O 1 ATOM 1536 N N . SER A 1 208 ? -29.614 -12.214 22.265 1.00 19.08 ? 232 SER A N 1 ATOM 1537 C CA . SER A 1 208 ? -29.859 -10.798 22.535 1.00 19.13 ? 232 SER A CA 1 ATOM 1538 C C . SER A 1 208 ? -29.869 -10.012 21.215 1.00 19.18 ? 232 SER A C 1 ATOM 1539 O O . SER A 1 208 ? -30.191 -10.571 20.158 1.00 18.98 ? 232 SER A O 1 ATOM 1540 C CB . SER A 1 208 ? -28.814 -10.264 23.522 1.00 19.29 ? 232 SER A CB 1 ATOM 1541 O OG . SER A 1 208 ? -29.096 -8.937 23.927 1.00 19.15 ? 232 SER A OG 1 ATOM 1542 N N . SER A 1 209 ? -29.535 -8.723 21.283 1.00 19.20 ? 233 SER A N 1 ATOM 1543 C CA . SER A 1 209 ? -29.440 -7.863 20.099 1.00 19.17 ? 233 SER A CA 1 ATOM 1544 C C . SER A 1 209 ? -28.556 -6.649 20.381 1.00 18.79 ? 233 SER A C 1 ATOM 1545 O O . SER A 1 209 ? -28.324 -6.300 21.540 1.00 18.71 ? 233 SER A O 1 ATOM 1546 C CB . SER A 1 209 ? -30.832 -7.399 19.650 1.00 19.32 ? 233 SER A CB 1 ATOM 1547 O OG . SER A 1 209 ? -31.512 -6.748 20.710 1.00 20.05 ? 233 SER A OG 1 ATOM 1548 N N . CYS A 1 210 ? -28.061 -6.018 19.321 1.00 18.50 ? 234 CYS A N 1 ATOM 1549 C CA . CYS A 1 210 ? -27.288 -4.779 19.455 1.00 18.68 ? 234 CYS A CA 1 ATOM 1550 C C . CYS A 1 210 ? -27.720 -3.796 18.381 1.00 18.33 ? 234 CYS A C 1 ATOM 1551 O O . CYS A 1 210 ? -27.094 -3.711 17.325 1.00 18.48 ? 234 CYS A O 1 ATOM 1552 C CB . CYS A 1 210 ? -25.773 -5.040 19.373 1.00 18.59 ? 234 CYS A CB 1 ATOM 1553 S SG . CYS A 1 210 ? -24.766 -3.611 19.893 1.00 18.89 ? 234 CYS A SG 1 ATOM 1554 N N . SER A 1 211 ? -28.809 -3.074 18.653 1.00 18.38 ? 235 SER A N 1 ATOM 1555 C CA . SER A 1 211 ? -29.359 -2.093 17.709 1.00 18.18 ? 235 SER A CA 1 ATOM 1556 C C . SER A 1 211 ? -28.417 -0.921 17.456 1.00 17.79 ? 235 SER A C 1 ATOM 1557 O O . SER A 1 211 ? -28.329 -0.423 16.331 1.00 17.45 ? 235 SER A O 1 ATOM 1558 C CB . SER A 1 211 ? -30.725 -1.582 18.183 1.00 18.33 ? 235 SER A CB 1 ATOM 1559 O OG . SER A 1 211 ? -30.605 -0.817 19.374 1.00 19.01 ? 235 SER A OG 1 ATOM 1560 N N . TRP A 1 212 ? -27.709 -0.494 18.500 1.00 17.67 ? 236 TRP A N 1 ATOM 1561 C CA . TRP A 1 212 ? -26.692 0.548 18.367 1.00 17.71 ? 236 TRP A CA 1 ATOM 1562 C C . TRP A 1 212 ? -25.469 0.121 17.540 1.00 17.50 ? 236 TRP A C 1 ATOM 1563 O O . TRP A 1 212 ? -24.870 0.950 16.857 1.00 16.85 ? 236 TRP A O 1 ATOM 1564 C CB . TRP A 1 212 ? -26.272 1.101 19.731 1.00 18.02 ? 236 TRP A CB 1 ATOM 1565 C CG . TRP A 1 212 ? -25.769 0.086 20.733 1.00 19.02 ? 236 TRP A CG 1 ATOM 1566 C CD1 . TRP A 1 212 ? -24.463 -0.240 20.991 1.00 19.26 ? 236 TRP A CD1 1 ATOM 1567 C CD2 . TRP A 1 212 ? -26.562 -0.702 21.633 1.00 19.27 ? 236 TRP A CD2 1 ATOM 1568 N NE1 . TRP A 1 212 ? -24.396 -1.187 21.986 1.00 18.45 ? 236 TRP A NE1 1 ATOM 1569 C CE2 . TRP A 1 212 ? -25.669 -1.485 22.402 1.00 19.11 ? 236 TRP A CE2 1 ATOM 1570 C CE3 . TRP A 1 212 ? -27.942 -0.824 21.864 1.00 20.13 ? 236 TRP A CE3 1 ATOM 1571 C CZ2 . TRP A 1 212 ? -26.110 -2.388 23.377 1.00 19.21 ? 236 TRP A CZ2 1 ATOM 1572 C CZ3 . TRP A 1 212 ? -28.381 -1.719 22.840 1.00 19.01 ? 236 TRP A CZ3 1 ATOM 1573 C CH2 . TRP A 1 212 ? -27.464 -2.488 23.584 1.00 19.45 ? 236 TRP A CH2 1 ATOM 1574 N N . CYS A 1 213 ? -25.109 -1.163 17.604 1.00 17.55 ? 237 CYS A N 1 ATOM 1575 C CA . CYS A 1 213 ? -24.073 -1.733 16.726 1.00 17.32 ? 237 CYS A CA 1 ATOM 1576 C C . CYS A 1 213 ? -24.487 -1.633 15.262 1.00 17.11 ? 237 CYS A C 1 ATOM 1577 O O . CYS A 1 213 ? -23.691 -1.250 14.400 1.00 16.83 ? 237 CYS A O 1 ATOM 1578 C CB . CYS A 1 213 ? -23.837 -3.214 17.039 1.00 17.51 ? 237 CYS A CB 1 ATOM 1579 S SG . CYS A 1 213 ? -23.137 -3.582 18.645 1.00 19.14 ? 237 CYS A SG 1 ATOM 1580 N N . ASP A 1 214 ? -25.747 -1.977 15.001 1.00 16.87 ? 238 ASP A N 1 ATOM 1581 C CA . ASP A 1 214 ? -26.274 -2.083 13.645 1.00 16.77 ? 238 ASP A CA 1 ATOM 1582 C C . ASP A 1 214 ? -26.416 -0.731 12.966 1.00 15.99 ? 238 ASP A C 1 ATOM 1583 O O . ASP A 1 214 ? -26.138 -0.599 11.773 1.00 16.42 ? 238 ASP A O 1 ATOM 1584 C CB . ASP A 1 214 ? -27.615 -2.835 13.649 1.00 17.09 ? 238 ASP A CB 1 ATOM 1585 C CG . ASP A 1 214 ? -27.466 -4.300 14.032 1.00 18.73 ? 238 ASP A CG 1 ATOM 1586 O OD1 . ASP A 1 214 ? -26.337 -4.842 13.948 1.00 20.03 ? 238 ASP A OD1 1 ATOM 1587 O OD2 . ASP A 1 214 ? -28.477 -4.915 14.420 1.00 20.01 ? 238 ASP A OD2 1 ATOM 1588 N N . SER A 1 215 ? -26.840 0.275 13.718 1.00 15.39 ? 239 SER A N 1 ATOM 1589 C CA . SER A 1 215 ? -27.002 1.608 13.148 1.00 14.77 ? 239 SER A CA 1 ATOM 1590 C C . SER A 1 215 ? -25.663 2.308 12.954 1.00 14.26 ? 239 SER A C 1 ATOM 1591 O O . SER A 1 215 ? -25.476 3.032 11.974 1.00 13.74 ? 239 SER A O 1 ATOM 1592 C CB . SER A 1 215 ? -27.938 2.464 14.003 1.00 14.74 ? 239 SER A CB 1 ATOM 1593 O OG . SER A 1 215 ? -27.409 2.648 15.300 1.00 15.57 ? 239 SER A OG 1 ATOM 1594 N N . GLN A 1 216 ? -24.724 2.082 13.874 1.00 13.70 ? 240 GLN A N 1 ATOM 1595 C CA . GLN A 1 216 ? -23.449 2.808 13.830 1.00 13.28 ? 240 GLN A CA 1 ATOM 1596 C C . GLN A 1 216 ? -22.380 2.214 12.913 1.00 13.32 ? 240 GLN A C 1 ATOM 1597 O O . GLN A 1 216 ? -21.580 2.963 12.348 1.00 13.68 ? 240 GLN A O 1 ATOM 1598 C CB . GLN A 1 216 ? -22.893 3.057 15.244 1.00 13.01 ? 240 GLN A CB 1 ATOM 1599 C CG . GLN A 1 216 ? -23.783 3.946 16.108 1.00 12.95 ? 240 GLN A CG 1 ATOM 1600 C CD . GLN A 1 216 ? -24.300 5.168 15.354 1.00 14.30 ? 240 GLN A CD 1 ATOM 1601 O OE1 . GLN A 1 216 ? -23.553 6.118 15.082 1.00 12.43 ? 240 GLN A OE1 1 ATOM 1602 N NE2 . GLN A 1 216 ? -25.583 5.141 15.003 1.00 14.33 ? 240 GLN A NE2 1 ATOM 1603 N N . ALA A 1 217 ? -22.361 0.889 12.747 1.00 13.03 ? 241 ALA A N 1 ATOM 1604 C CA . ALA A 1 217 ? -21.310 0.269 11.928 1.00 12.91 ? 241 ALA A CA 1 ATOM 1605 C C . ALA A 1 217 ? -21.166 0.876 10.526 1.00 13.08 ? 241 ALA A C 1 ATOM 1606 O O . ALA A 1 217 ? -20.044 1.244 10.137 1.00 12.48 ? 241 ALA A O 1 ATOM 1607 C CB . ALA A 1 217 ? -21.445 -1.251 11.881 1.00 12.55 ? 241 ALA A CB 1 ATOM 1608 N N . PRO A 1 218 ? -22.284 1.007 9.762 1.00 13.47 ? 242 PRO A N 1 ATOM 1609 C CA . PRO A 1 218 ? -22.124 1.564 8.409 1.00 13.66 ? 242 PRO A CA 1 ATOM 1610 C C . PRO A 1 218 ? -21.650 3.021 8.403 1.00 14.07 ? 242 PRO A C 1 ATOM 1611 O O . PRO A 1 218 ? -20.973 3.440 7.467 1.00 14.33 ? 242 PRO A O 1 ATOM 1612 C CB . PRO A 1 218 ? -23.536 1.454 7.801 1.00 13.89 ? 242 PRO A CB 1 ATOM 1613 C CG . PRO A 1 218 ? -24.290 0.500 8.685 1.00 13.56 ? 242 PRO A CG 1 ATOM 1614 C CD . PRO A 1 218 ? -23.695 0.678 10.048 1.00 13.35 ? 242 PRO A CD 1 ATOM 1615 N N . GLU A 1 219 ? -21.993 3.781 9.443 1.00 14.47 ? 243 GLU A N 1 ATOM 1616 C CA . GLU A 1 219 ? -21.531 5.164 9.571 1.00 14.69 ? 243 GLU A CA 1 ATOM 1617 C C . GLU A 1 219 ? -20.034 5.238 9.860 1.00 14.24 ? 243 GLU A C 1 ATOM 1618 O O . GLU A 1 219 ? -19.351 6.139 9.374 1.00 14.32 ? 243 GLU A O 1 ATOM 1619 C CB . GLU A 1 219 ? -22.313 5.913 10.660 1.00 14.90 ? 243 GLU A CB 1 ATOM 1620 C CG . GLU A 1 219 ? -23.821 6.024 10.401 1.00 17.14 ? 243 GLU A CG 1 ATOM 1621 C CD . GLU A 1 219 ? -24.179 6.831 9.157 1.00 20.73 ? 243 GLU A CD 1 ATOM 1622 O OE1 . GLU A 1 219 ? -25.367 6.783 8.751 1.00 22.19 ? 243 GLU A OE1 1 ATOM 1623 O OE2 . GLU A 1 219 ? -23.293 7.509 8.580 1.00 21.21 ? 243 GLU A OE2 1 ATOM 1624 N N . ILE A 1 220 ? -19.530 4.297 10.659 1.00 14.27 ? 244 ILE A N 1 ATOM 1625 C CA . ILE A 1 220 ? -18.095 4.251 10.950 1.00 13.68 ? 244 ILE A CA 1 ATOM 1626 C C . ILE A 1 220 ? -17.350 3.890 9.670 1.00 13.55 ? 244 ILE A C 1 ATOM 1627 O O . ILE A 1 220 ? -16.353 4.518 9.327 1.00 13.33 ? 244 ILE A O 1 ATOM 1628 C CB . ILE A 1 220 ? -17.746 3.268 12.110 1.00 14.05 ? 244 ILE A CB 1 ATOM 1629 C CG1 . ILE A 1 220 ? -18.508 3.652 13.378 1.00 13.50 ? 244 ILE A CG1 1 ATOM 1630 C CG2 . ILE A 1 220 ? -16.229 3.255 12.369 1.00 12.65 ? 244 ILE A CG2 1 ATOM 1631 C CD1 . ILE A 1 220 ? -18.151 2.827 14.593 1.00 13.38 ? 244 ILE A CD1 1 ATOM 1632 N N . LEU A 1 221 ? -17.867 2.896 8.947 1.00 13.66 ? 245 LEU A N 1 ATOM 1633 C CA . LEU A 1 221 ? -17.299 2.503 7.660 1.00 13.95 ? 245 LEU A CA 1 ATOM 1634 C C . LEU A 1 221 ? -17.330 3.649 6.639 1.00 13.98 ? 245 LEU A C 1 ATOM 1635 O O . LEU A 1 221 ? -16.376 3.846 5.873 1.00 13.42 ? 245 LEU A O 1 ATOM 1636 C CB . LEU A 1 221 ? -18.027 1.274 7.096 1.00 13.67 ? 245 LEU A CB 1 ATOM 1637 C CG . LEU A 1 221 ? -17.379 0.670 5.846 1.00 13.99 ? 245 LEU A CG 1 ATOM 1638 C CD1 . LEU A 1 221 ? -15.981 0.109 6.159 1.00 13.78 ? 245 LEU A CD1 1 ATOM 1639 C CD2 . LEU A 1 221 ? -18.279 -0.393 5.226 1.00 14.52 ? 245 LEU A CD2 1 ATOM 1640 N N . CYS A 1 222 ? -18.432 4.396 6.633 1.00 14.73 ? 246 CYS A N 1 ATOM 1641 C CA . CYS A 1 222 ? -18.562 5.555 5.754 1.00 14.51 ? 246 CYS A CA 1 ATOM 1642 C C . CYS A 1 222 ? -17.425 6.534 6.036 1.00 13.74 ? 246 CYS A C 1 ATOM 1643 O O . CYS A 1 222 ? -16.721 6.970 5.128 1.00 13.33 ? 246 CYS A O 1 ATOM 1644 C CB . CYS A 1 222 ? -19.923 6.226 5.960 1.00 15.10 ? 246 CYS A CB 1 ATOM 1645 S SG . CYS A 1 222 ? -20.497 7.075 4.497 1.00 17.06 ? 246 CYS A SG 1 ATOM 1646 N N . TYR A 1 223 ? -17.223 6.832 7.314 1.00 13.39 ? 247 TYR A N 1 ATOM 1647 C CA . TYR A 1 223 ? -16.174 7.748 7.741 1.00 12.96 ? 247 TYR A CA 1 ATOM 1648 C C . TYR A 1 223 ? -14.779 7.202 7.411 1.00 12.90 ? 247 TYR A C 1 ATOM 1649 O O . TYR A 1 223 ? -13.898 7.956 6.982 1.00 12.96 ? 247 TYR A O 1 ATOM 1650 C CB . TYR A 1 223 ? -16.324 8.057 9.233 1.00 13.42 ? 247 TYR A CB 1 ATOM 1651 C CG . TYR A 1 223 ? -15.230 8.916 9.820 1.00 13.40 ? 247 TYR A CG 1 ATOM 1652 C CD1 . TYR A 1 223 ? -14.749 10.032 9.130 1.00 13.41 ? 247 TYR A CD1 1 ATOM 1653 C CD2 . TYR A 1 223 ? -14.689 8.625 11.073 1.00 13.56 ? 247 TYR A CD2 1 ATOM 1654 C CE1 . TYR A 1 223 ? -13.756 10.825 9.654 1.00 14.76 ? 247 TYR A CE1 1 ATOM 1655 C CE2 . TYR A 1 223 ? -13.691 9.426 11.622 1.00 13.66 ? 247 TYR A CE2 1 ATOM 1656 C CZ . TYR A 1 223 ? -13.228 10.521 10.899 1.00 14.46 ? 247 TYR A CZ 1 ATOM 1657 O OH . TYR A 1 223 ? -12.238 11.330 11.396 1.00 15.90 ? 247 TYR A OH 1 ATOM 1658 N N . LEU A 1 224 ? -14.603 5.890 7.556 1.00 12.49 ? 248 LEU A N 1 ATOM 1659 C CA . LEU A 1 224 ? -13.308 5.254 7.295 1.00 12.55 ? 248 LEU A CA 1 ATOM 1660 C C . LEU A 1 224 ? -12.770 5.537 5.897 1.00 12.58 ? 248 LEU A C 1 ATOM 1661 O O . LEU A 1 224 ? -11.550 5.574 5.699 1.00 12.35 ? 248 LEU A O 1 ATOM 1662 C CB . LEU A 1 224 ? -13.375 3.736 7.553 1.00 12.51 ? 248 LEU A CB 1 ATOM 1663 C CG . LEU A 1 224 ? -12.040 2.980 7.641 1.00 12.42 ? 248 LEU A CG 1 ATOM 1664 C CD1 . LEU A 1 224 ? -11.275 3.357 8.911 1.00 13.16 ? 248 LEU A CD1 1 ATOM 1665 C CD2 . LEU A 1 224 ? -12.274 1.466 7.589 1.00 12.11 ? 248 LEU A CD2 1 ATOM 1666 N N . GLN A 1 225 ? -13.676 5.747 4.931 1.00 12.79 ? 249 GLN A N 1 ATOM 1667 C CA . GLN A 1 225 ? -13.286 6.003 3.541 1.00 12.97 ? 249 GLN A CA 1 ATOM 1668 C C . GLN A 1 225 ? -12.477 7.280 3.387 1.00 13.31 ? 249 GLN A C 1 ATOM 1669 O O . GLN A 1 225 ? -11.639 7.377 2.493 1.00 13.21 ? 249 GLN A O 1 ATOM 1670 C CB . GLN A 1 225 ? -14.505 6.024 2.599 1.00 13.12 ? 249 GLN A CB 1 ATOM 1671 C CG . GLN A 1 225 ? -15.425 4.795 2.698 1.00 12.58 ? 249 GLN A CG 1 ATOM 1672 C CD . GLN A 1 225 ? -14.675 3.457 2.628 1.00 12.95 ? 249 GLN A CD 1 ATOM 1673 O OE1 . GLN A 1 225 ? -14.043 3.129 1.621 1.00 13.06 ? 249 GLN A OE1 1 ATOM 1674 N NE2 . GLN A 1 225 ? -14.745 2.686 3.705 1.00 11.67 ? 249 GLN A NE2 1 ATOM 1675 N N . SER A 1 226 ? -12.721 8.243 4.277 1.00 13.37 ? 250 SER A N 1 ATOM 1676 C CA . SER A 1 226 ? -12.027 9.534 4.277 1.00 13.50 ? 250 SER A CA 1 ATOM 1677 C C . SER A 1 226 ? -10.515 9.429 4.488 1.00 13.27 ? 250 SER A C 1 ATOM 1678 O O . SER A 1 226 ? -9.768 10.327 4.089 1.00 13.14 ? 250 SER A O 1 ATOM 1679 C CB . SER A 1 226 ? -12.635 10.465 5.337 1.00 13.54 ? 250 SER A CB 1 ATOM 1680 O OG . SER A 1 226 ? -13.870 10.996 4.881 1.00 14.83 ? 250 SER A OG 1 ATOM 1681 N N . PHE A 1 227 ? -10.057 8.331 5.092 1.00 13.21 ? 251 PHE A N 1 ATOM 1682 C CA . PHE A 1 227 ? -8.630 8.164 5.354 1.00 13.37 ? 251 PHE A CA 1 ATOM 1683 C C . PHE A 1 227 ? -7.795 7.829 4.107 1.00 13.80 ? 251 PHE A C 1 ATOM 1684 O O . PHE A 1 227 ? -6.570 7.939 4.127 1.00 13.79 ? 251 PHE A O 1 ATOM 1685 C CB . PHE A 1 227 ? -8.408 7.142 6.470 1.00 13.34 ? 251 PHE A CB 1 ATOM 1686 C CG . PHE A 1 227 ? -8.871 7.621 7.812 1.00 12.50 ? 251 PHE A CG 1 ATOM 1687 C CD1 . PHE A 1 227 ? -10.180 7.401 8.225 1.00 11.86 ? 251 PHE A CD1 1 ATOM 1688 C CD2 . PHE A 1 227 ? -8.002 8.319 8.654 1.00 12.72 ? 251 PHE A CD2 1 ATOM 1689 C CE1 . PHE A 1 227 ? -10.617 7.842 9.470 1.00 13.60 ? 251 PHE A CE1 1 ATOM 1690 C CE2 . PHE A 1 227 ? -8.426 8.773 9.904 1.00 12.42 ? 251 PHE A CE2 1 ATOM 1691 C CZ . PHE A 1 227 ? -9.735 8.546 10.310 1.00 13.72 ? 251 PHE A CZ 1 ATOM 1692 N N . TRP A 1 228 ? -8.457 7.453 3.019 1.00 14.20 ? 252 TRP A N 1 ATOM 1693 C CA . TRP A 1 228 ? -7.746 7.206 1.765 1.00 14.67 ? 252 TRP A CA 1 ATOM 1694 C C . TRP A 1 228 ? -7.445 8.543 1.078 1.00 15.30 ? 252 TRP A C 1 ATOM 1695 O O . TRP A 1 228 ? -8.359 9.309 0.764 1.00 14.69 ? 252 TRP A O 1 ATOM 1696 C CB . TRP A 1 228 ? -8.551 6.262 0.866 1.00 14.78 ? 252 TRP A CB 1 ATOM 1697 C CG . TRP A 1 228 ? -7.935 6.002 -0.494 1.00 15.19 ? 252 TRP A CG 1 ATOM 1698 C CD1 . TRP A 1 228 ? -8.461 6.344 -1.709 1.00 15.77 ? 252 TRP A CD1 1 ATOM 1699 C CD2 . TRP A 1 228 ? -6.693 5.339 -0.769 1.00 15.37 ? 252 TRP A CD2 1 ATOM 1700 N NE1 . TRP A 1 228 ? -7.627 5.941 -2.720 1.00 15.16 ? 252 TRP A NE1 1 ATOM 1701 C CE2 . TRP A 1 228 ? -6.531 5.325 -2.173 1.00 16.28 ? 252 TRP A CE2 1 ATOM 1702 C CE3 . TRP A 1 228 ? -5.700 4.759 0.034 1.00 15.72 ? 252 TRP A CE3 1 ATOM 1703 C CZ2 . TRP A 1 228 ? -5.415 4.752 -2.796 1.00 16.14 ? 252 TRP A CZ2 1 ATOM 1704 C CZ3 . TRP A 1 228 ? -4.586 4.187 -0.589 1.00 15.15 ? 252 TRP A CZ3 1 ATOM 1705 C CH2 . TRP A 1 228 ? -4.453 4.195 -1.989 1.00 15.32 ? 252 TRP A CH2 1 ATOM 1706 N N . THR A 1 229 ? -6.157 8.817 0.868 1.00 15.71 ? 253 THR A N 1 ATOM 1707 C CA . THR A 1 229 ? -5.705 10.071 0.282 1.00 16.65 ? 253 THR A CA 1 ATOM 1708 C C . THR A 1 229 ? -5.702 10.024 -1.248 1.00 17.52 ? 253 THR A C 1 ATOM 1709 O O . THR A 1 229 ? -5.666 11.061 -1.908 1.00 17.99 ? 253 THR A O 1 ATOM 1710 C CB . THR A 1 229 ? -4.287 10.438 0.747 1.00 16.67 ? 253 THR A CB 1 ATOM 1711 O OG1 . THR A 1 229 ? -3.329 9.573 0.116 1.00 16.24 ? 253 THR A OG1 1 ATOM 1712 C CG2 . THR A 1 229 ? -4.157 10.338 2.273 1.00 16.21 ? 253 THR A CG2 1 ATOM 1713 N N . GLY A 1 230 ? -5.728 8.819 -1.807 1.00 18.09 ? 254 GLY A N 1 ATOM 1714 C CA . GLY A 1 230 ? -5.539 8.656 -3.247 1.00 18.72 ? 254 GLY A CA 1 ATOM 1715 C C . GLY A 1 230 ? -4.226 7.964 -3.569 1.00 18.90 ? 254 GLY A C 1 ATOM 1716 O O . GLY A 1 230 ? -4.057 7.441 -4.673 1.00 19.38 ? 254 GLY A O 1 ATOM 1717 N N . SER A 1 231 ? -3.292 7.952 -2.617 1.00 18.64 ? 255 SER A N 1 ATOM 1718 C CA . SER A 1 231 ? -2.060 7.176 -2.789 1.00 18.71 ? 255 SER A CA 1 ATOM 1719 C C . SER A 1 231 ? -1.645 6.364 -1.549 1.00 18.07 ? 255 SER A C 1 ATOM 1720 O O . SER A 1 231 ? -0.899 5.389 -1.662 1.00 17.73 ? 255 SER A O 1 ATOM 1721 C CB . SER A 1 231 ? -0.914 8.044 -3.329 1.00 18.74 ? 255 SER A CB 1 ATOM 1722 O OG . SER A 1 231 ? -0.525 9.045 -2.408 1.00 21.07 ? 255 SER A OG 1 ATOM 1723 N N . PHE A 1 232 ? -2.137 6.755 -0.377 1.00 17.13 ? 256 PHE A N 1 ATOM 1724 C CA . PHE A 1 232 ? -1.905 5.981 0.842 1.00 16.32 ? 256 PHE A CA 1 ATOM 1725 C C . PHE A 1 232 ? -3.008 6.236 1.865 1.00 15.84 ? 256 PHE A C 1 ATOM 1726 O O . PHE A 1 232 ? -3.930 7.014 1.609 1.00 15.88 ? 256 PHE A O 1 ATOM 1727 C CB . PHE A 1 232 ? -0.501 6.223 1.423 1.00 16.32 ? 256 PHE A CB 1 ATOM 1728 C CG . PHE A 1 232 ? -0.264 7.630 1.903 1.00 16.45 ? 256 PHE A CG 1 ATOM 1729 C CD1 . PHE A 1 232 ? -0.590 8.000 3.208 1.00 15.44 ? 256 PHE A CD1 1 ATOM 1730 C CD2 . PHE A 1 232 ? 0.307 8.583 1.055 1.00 16.69 ? 256 PHE A CD2 1 ATOM 1731 C CE1 . PHE A 1 232 ? -0.376 9.308 3.660 1.00 16.86 ? 256 PHE A CE1 1 ATOM 1732 C CE2 . PHE A 1 232 ? 0.535 9.895 1.499 1.00 18.03 ? 256 PHE A CE2 1 ATOM 1733 C CZ . PHE A 1 232 ? 0.188 10.260 2.802 1.00 16.22 ? 256 PHE A CZ 1 ATOM 1734 N N . ILE A 1 233 ? -2.911 5.567 3.013 1.00 15.05 ? 257 ILE A N 1 ATOM 1735 C CA . ILE A 1 233 ? -3.882 5.710 4.084 1.00 13.93 ? 257 ILE A CA 1 ATOM 1736 C C . ILE A 1 233 ? -3.349 6.720 5.110 1.00 14.01 ? 257 ILE A C 1 ATOM 1737 O O . ILE A 1 233 ? -2.306 6.490 5.735 1.00 13.36 ? 257 ILE A O 1 ATOM 1738 C CB . ILE A 1 233 ? -4.167 4.349 4.776 1.00 14.51 ? 257 ILE A CB 1 ATOM 1739 C CG1 . ILE A 1 233 ? -4.552 3.270 3.750 1.00 13.44 ? 257 ILE A CG1 1 ATOM 1740 C CG2 . ILE A 1 233 ? -5.232 4.512 5.856 1.00 13.94 ? 257 ILE A CG2 1 ATOM 1741 C CD1 . ILE A 1 233 ? -4.503 1.815 4.294 1.00 13.48 ? 257 ILE A CD1 1 ATOM 1742 N N . LEU A 1 234 ? -4.067 7.829 5.275 1.00 13.28 ? 258 LEU A N 1 ATOM 1743 C CA . LEU A 1 234 ? -3.692 8.860 6.235 1.00 13.36 ? 258 LEU A CA 1 ATOM 1744 C C . LEU A 1 234 ? -3.890 8.336 7.662 1.00 12.85 ? 258 LEU A C 1 ATOM 1745 O O . LEU A 1 234 ? -4.920 7.747 7.975 1.00 12.66 ? 258 LEU A O 1 ATOM 1746 C CB . LEU A 1 234 ? -4.542 10.118 6.004 1.00 14.11 ? 258 LEU A CB 1 ATOM 1747 C CG . LEU A 1 234 ? -4.359 11.306 6.951 1.00 16.00 ? 258 LEU A CG 1 ATOM 1748 C CD1 . LEU A 1 234 ? -3.458 12.396 6.353 1.00 19.08 ? 258 LEU A CD1 1 ATOM 1749 C CD2 . LEU A 1 234 ? -5.728 11.864 7.353 1.00 18.00 ? 258 LEU A CD2 1 ATOM 1750 N N . ALA A 1 235 ? -2.900 8.559 8.518 1.00 12.32 ? 259 ALA A N 1 ATOM 1751 C CA . ALA A 1 235 ? -2.920 8.035 9.883 1.00 11.83 ? 259 ALA A CA 1 ATOM 1752 C C . ALA A 1 235 ? -3.907 8.769 10.801 1.00 11.85 ? 259 ALA A C 1 ATOM 1753 O O . ALA A 1 235 ? -4.596 8.137 11.595 1.00 11.90 ? 259 ALA A O 1 ATOM 1754 C CB . ALA A 1 235 ? -1.516 8.090 10.478 1.00 11.37 ? 259 ALA A CB 1 ATOM 1755 N N . ASN A 1 236 ? -3.940 10.099 10.709 1.00 11.65 ? 260 ASN A N 1 ATOM 1756 C CA . ASN A 1 236 ? -4.746 10.935 11.605 1.00 12.29 ? 260 ASN A CA 1 ATOM 1757 C C . ASN A 1 236 ? -5.300 12.187 10.922 1.00 12.91 ? 260 ASN A C 1 ATOM 1758 O O . ASN A 1 236 ? -4.603 12.819 10.132 1.00 12.63 ? 260 ASN A O 1 ATOM 1759 C CB . ASN A 1 236 ? -3.901 11.413 12.798 1.00 12.10 ? 260 ASN A CB 1 ATOM 1760 C CG . ASN A 1 236 ? -3.437 10.275 13.706 1.00 12.46 ? 260 ASN A CG 1 ATOM 1761 O OD1 . ASN A 1 236 ? -4.211 9.753 14.502 1.00 11.83 ? 260 ASN A OD1 1 ATOM 1762 N ND2 . ASN A 1 236 ? -2.167 9.918 13.606 1.00 11.21 ? 260 ASN A ND2 1 ATOM 1763 N N . PHE A 1 237 ? -6.538 12.541 11.264 1.00 13.93 ? 261 PHE A N 1 ATOM 1764 C CA . PHE A 1 237 ? -7.079 13.894 11.095 1.00 15.23 ? 261 PHE A CA 1 ATOM 1765 C C . PHE A 1 237 ? -7.022 14.591 12.464 1.00 16.47 ? 261 PHE A C 1 ATOM 1766 O O . PHE A 1 237 ? -7.580 14.061 13.428 1.00 17.49 ? 261 PHE A O 1 ATOM 1767 C CB . PHE A 1 237 ? -8.563 13.842 10.720 1.00 14.77 ? 261 PHE A CB 1 ATOM 1768 C CG . PHE A 1 237 ? -8.852 13.275 9.363 1.00 13.87 ? 261 PHE A CG 1 ATOM 1769 C CD1 . PHE A 1 237 ? -9.546 12.075 9.242 1.00 13.44 ? 261 PHE A CD1 1 ATOM 1770 C CD2 . PHE A 1 237 ? -8.478 13.958 8.209 1.00 14.47 ? 261 PHE A CD2 1 ATOM 1771 C CE1 . PHE A 1 237 ? -9.840 11.544 7.991 1.00 13.54 ? 261 PHE A CE1 1 ATOM 1772 C CE2 . PHE A 1 237 ? -8.759 13.430 6.947 1.00 13.99 ? 261 PHE A CE2 1 ATOM 1773 C CZ . PHE A 1 237 ? -9.447 12.222 6.843 1.00 13.57 ? 261 PHE A CZ 1 ATOM 1774 N N . ASP A 1 238 ? -6.407 15.768 12.586 1.00 17.45 ? 262 ASP A N 1 ATOM 1775 C CA . ASP A 1 238 ? -5.646 16.434 11.549 1.00 18.21 ? 262 ASP A CA 1 ATOM 1776 C C . ASP A 1 238 ? -4.225 16.590 12.066 1.00 18.40 ? 262 ASP A C 1 ATOM 1777 O O . ASP A 1 238 ? -4.006 16.888 13.248 1.00 18.25 ? 262 ASP A O 1 ATOM 1778 C CB . ASP A 1 238 ? -6.213 17.831 11.259 1.00 19.00 ? 262 ASP A CB 1 ATOM 1779 C CG . ASP A 1 238 ? -7.616 17.797 10.671 1.00 20.63 ? 262 ASP A CG 1 ATOM 1780 O OD1 . ASP A 1 238 ? -7.881 16.965 9.778 1.00 23.95 ? 262 ASP A OD1 1 ATOM 1781 O OD2 . ASP A 1 238 ? -8.451 18.627 11.087 1.00 22.23 ? 262 ASP A OD2 1 ATOM 1782 N N . SER A 1 239 ? -3.270 16.416 11.159 1.00 18.57 ? 263 SER A N 1 ATOM 1783 C CA . SER A 1 239 ? -1.854 16.432 11.483 1.00 18.40 ? 263 SER A CA 1 ATOM 1784 C C . SER A 1 239 ? -1.103 17.014 10.293 1.00 18.17 ? 263 SER A C 1 ATOM 1785 O O . SER A 1 239 ? -1.520 16.843 9.145 1.00 18.47 ? 263 SER A O 1 ATOM 1786 C CB . SER A 1 239 ? -1.376 15.000 11.772 1.00 18.51 ? 263 SER A CB 1 ATOM 1787 O OG . SER A 1 239 ? 0.017 14.949 12.066 1.00 18.78 ? 263 SER A OG 1 ATOM 1788 N N . SER A 1 240 ? -0.008 17.712 10.563 1.00 17.66 ? 264 SER A N 1 ATOM 1789 C CA . SER A 1 240 ? 0.842 18.215 9.494 1.00 17.54 ? 264 SER A CA 1 ATOM 1790 C C . SER A 1 240 ? 2.028 17.284 9.227 1.00 16.72 ? 264 SER A C 1 ATOM 1791 O O . SER A 1 240 ? 2.943 17.627 8.467 1.00 16.47 ? 264 SER A O 1 ATOM 1792 C CB . SER A 1 240 ? 1.285 19.654 9.774 1.00 17.80 ? 264 SER A CB 1 ATOM 1793 O OG . SER A 1 240 ? 1.729 19.783 11.107 1.00 19.99 ? 264 SER A OG 1 ATOM 1794 N N . ARG A 1 241 ? 2.000 16.098 9.848 1.00 15.80 ? 265 ARG A N 1 ATOM 1795 C CA . ARG A 1 241 ? 2.908 15.011 9.489 1.00 14.89 ? 265 ARG A CA 1 ATOM 1796 C C . ARG A 1 241 ? 2.545 14.531 8.082 1.00 14.78 ? 265 ARG A C 1 ATOM 1797 O O . ARG A 1 241 ? 1.510 14.926 7.539 1.00 13.99 ? 265 ARG A O 1 ATOM 1798 C CB . ARG A 1 241 ? 2.758 13.834 10.458 1.00 14.75 ? 265 ARG A CB 1 ATOM 1799 C CG . ARG A 1 241 ? 3.151 14.100 11.909 1.00 14.29 ? 265 ARG A CG 1 ATOM 1800 C CD . ARG A 1 241 ? 3.050 12.795 12.665 1.00 14.94 ? 265 ARG A CD 1 ATOM 1801 N NE . ARG A 1 241 ? 3.148 12.935 14.115 1.00 12.91 ? 265 ARG A NE 1 ATOM 1802 C CZ . ARG A 1 241 ? 2.785 11.984 14.971 1.00 13.04 ? 265 ARG A CZ 1 ATOM 1803 N NH1 . ARG A 1 241 ? 2.297 10.832 14.516 1.00 10.79 ? 265 ARG A NH1 1 ATOM 1804 N NH2 . ARG A 1 241 ? 2.906 12.181 16.278 1.00 11.79 ? 265 ARG A NH2 1 ATOM 1805 N N . SER A 1 242 ? 3.370 13.655 7.510 1.00 14.74 ? 266 SER A N 1 ATOM 1806 C CA . SER A 1 242 ? 3.063 13.066 6.201 1.00 14.64 ? 266 SER A CA 1 ATOM 1807 C C . SER A 1 242 ? 1.785 12.248 6.273 1.00 14.43 ? 266 SER A C 1 ATOM 1808 O O . SER A 1 242 ? 1.027 12.191 5.307 1.00 14.43 ? 266 SER A O 1 ATOM 1809 C CB . SER A 1 242 ? 4.220 12.191 5.698 1.00 14.90 ? 266 SER A CB 1 ATOM 1810 O OG . SER A 1 242 ? 4.560 11.190 6.652 1.00 15.03 ? 266 SER A OG 1 ATOM 1811 N N . GLY A 1 243 ? 1.542 11.623 7.428 1.00 14.07 ? 267 GLY A N 1 ATOM 1812 C CA . GLY A 1 243 ? 0.396 10.740 7.586 1.00 13.48 ? 267 GLY A CA 1 ATOM 1813 C C . GLY A 1 243 ? 0.710 9.279 7.297 1.00 13.38 ? 267 GLY A C 1 ATOM 1814 O O . GLY A 1 243 ? -0.136 8.421 7.504 1.00 13.45 ? 267 GLY A O 1 ATOM 1815 N N . LYS A 1 244 ? 1.926 9.017 6.808 1.00 12.75 ? 268 LYS A N 1 ATOM 1816 C CA . LYS A 1 244 ? 2.478 7.670 6.653 1.00 12.43 ? 268 LYS A CA 1 ATOM 1817 C C . LYS A 1 244 ? 2.864 7.139 8.034 1.00 11.97 ? 268 LYS A C 1 ATOM 1818 O O . LYS A 1 244 ? 3.659 7.771 8.742 1.00 11.50 ? 268 LYS A O 1 ATOM 1819 C CB . LYS A 1 244 ? 3.692 7.707 5.710 1.00 12.82 ? 268 LYS A CB 1 ATOM 1820 C CG . LYS A 1 244 ? 3.367 8.319 4.331 1.00 13.06 ? 268 LYS A CG 1 ATOM 1821 C CD . LYS A 1 244 ? 4.610 8.494 3.463 1.00 13.43 ? 268 LYS A CD 1 ATOM 1822 C CE . LYS A 1 244 ? 4.272 9.106 2.098 1.00 14.14 ? 268 LYS A CE 1 ATOM 1823 N NZ . LYS A 1 244 ? 5.556 9.495 1.380 1.00 17.71 ? 268 LYS A NZ 1 ATOM 1824 N N . ASP A 1 245 ? 2.297 5.990 8.413 1.00 11.01 ? 269 ASP A N 1 ATOM 1825 C CA . ASP A 1 245 ? 2.347 5.518 9.805 1.00 11.18 ? 269 ASP A CA 1 ATOM 1826 C C . ASP A 1 245 ? 2.021 4.020 9.859 1.00 10.97 ? 269 ASP A C 1 ATOM 1827 O O . ASP A 1 245 ? 1.071 3.547 9.216 1.00 11.28 ? 269 ASP A O 1 ATOM 1828 C CB . ASP A 1 245 ? 1.343 6.327 10.653 1.00 10.92 ? 269 ASP A CB 1 ATOM 1829 C CG . ASP A 1 245 ? 1.590 6.236 12.175 1.00 11.40 ? 269 ASP A CG 1 ATOM 1830 O OD1 . ASP A 1 245 ? 1.959 5.159 12.694 1.00 14.08 ? 269 ASP A OD1 1 ATOM 1831 O OD2 . ASP A 1 245 ? 1.357 7.256 12.867 1.00 10.27 ? 269 ASP A OD2 1 ATOM 1832 N N . ALA A 1 246 ? 2.811 3.275 10.622 1.00 10.79 ? 270 ALA A N 1 ATOM 1833 C CA . ALA A 1 246 ? 2.545 1.847 10.842 1.00 11.00 ? 270 ALA A CA 1 ATOM 1834 C C . ALA A 1 246 ? 1.167 1.591 11.467 1.00 11.29 ? 270 ALA A C 1 ATOM 1835 O O . ALA A 1 246 ? 0.650 0.467 11.395 1.00 11.34 ? 270 ALA A O 1 ATOM 1836 C CB . ALA A 1 246 ? 3.641 1.232 11.679 1.00 11.35 ? 270 ALA A CB 1 ATOM 1837 N N . ASN A 1 247 ? 0.598 2.634 12.091 1.00 11.36 ? 271 ASN A N 1 ATOM 1838 C CA . ASN A 1 247 ? -0.850 2.756 12.390 1.00 11.35 ? 271 ASN A CA 1 ATOM 1839 C C . ASN A 1 247 ? -1.721 2.026 11.356 1.00 11.20 ? 271 ASN A C 1 ATOM 1840 O O . ASN A 1 247 ? -2.598 1.228 11.699 1.00 10.78 ? 271 ASN A O 1 ATOM 1841 C CB . ASN A 1 247 ? -1.204 4.272 12.436 1.00 11.26 ? 271 ASN A CB 1 ATOM 1842 C CG . ASN A 1 247 ? -2.707 4.574 12.572 1.00 12.64 ? 271 ASN A CG 1 ATOM 1843 O OD1 . ASN A 1 247 ? -3.555 3.988 11.894 1.00 13.41 ? 271 ASN A OD1 1 ATOM 1844 N ND2 . ASN A 1 247 ? -3.028 5.553 13.424 1.00 13.42 ? 271 ASN A ND2 1 ATOM 1845 N N . THR A 1 248 ? -1.476 2.314 10.084 1.00 11.17 ? 272 THR A N 1 ATOM 1846 C CA . THR A 1 248 ? -2.365 1.858 9.021 1.00 10.92 ? 272 THR A CA 1 ATOM 1847 C C . THR A 1 248 ? -2.086 0.399 8.594 1.00 10.94 ? 272 THR A C 1 ATOM 1848 O O . THR A 1 248 ? -2.997 -0.310 8.152 1.00 11.38 ? 272 THR A O 1 ATOM 1849 C CB . THR A 1 248 ? -2.291 2.808 7.821 1.00 10.31 ? 272 THR A CB 1 ATOM 1850 O OG1 . THR A 1 248 ? -0.956 2.803 7.295 1.00 9.95 ? 272 THR A OG1 1 ATOM 1851 C CG2 . THR A 1 248 ? -2.670 4.240 8.254 1.00 10.99 ? 272 THR A CG2 1 ATOM 1852 N N . LEU A 1 249 ? -0.834 -0.033 8.730 1.00 10.76 ? 273 LEU A N 1 ATOM 1853 C CA . LEU A 1 249 ? -0.476 -1.457 8.622 1.00 10.84 ? 273 LEU A CA 1 ATOM 1854 C C . LEU A 1 249 ? -1.198 -2.259 9.714 1.00 10.15 ? 273 LEU A C 1 ATOM 1855 O O . LEU A 1 249 ? -1.798 -3.296 9.440 1.00 9.16 ? 273 LEU A O 1 ATOM 1856 C CB . LEU A 1 249 ? 1.037 -1.636 8.779 1.00 10.89 ? 273 LEU A CB 1 ATOM 1857 C CG . LEU A 1 249 ? 2.029 -1.626 7.606 1.00 13.19 ? 273 LEU A CG 1 ATOM 1858 C CD1 . LEU A 1 249 ? 1.620 -0.774 6.394 1.00 13.23 ? 273 LEU A CD1 1 ATOM 1859 C CD2 . LEU A 1 249 ? 3.414 -1.256 8.121 1.00 12.31 ? 273 LEU A CD2 1 ATOM 1860 N N . LEU A 1 250 ? -1.154 -1.741 10.944 1.00 9.81 ? 274 LEU A N 1 ATOM 1861 C CA . LEU A 1 250 ? -1.828 -2.365 12.082 1.00 9.90 ? 274 LEU A CA 1 ATOM 1862 C C . LEU A 1 250 ? -3.353 -2.374 11.917 1.00 10.21 ? 274 LEU A C 1 ATOM 1863 O O . LEU A 1 250 ? -4.007 -3.352 12.257 1.00 10.39 ? 274 LEU A O 1 ATOM 1864 C CB . LEU A 1 250 ? -1.418 -1.686 13.395 1.00 9.32 ? 274 LEU A CB 1 ATOM 1865 C CG . LEU A 1 250 ? 0.046 -1.900 13.836 1.00 8.87 ? 274 LEU A CG 1 ATOM 1866 C CD1 . LEU A 1 250 ? 0.503 -0.807 14.815 1.00 7.99 ? 274 LEU A CD1 1 ATOM 1867 C CD2 . LEU A 1 250 ? 0.269 -3.319 14.430 1.00 6.70 ? 274 LEU A CD2 1 ATOM 1868 N N . GLY A 1 251 ? -3.914 -1.296 11.384 1.00 10.36 ? 275 GLY A N 1 ATOM 1869 C CA . GLY A 1 251 ? -5.357 -1.260 11.101 1.00 10.83 ? 275 GLY A CA 1 ATOM 1870 C C . GLY A 1 251 ? -5.771 -2.388 10.169 1.00 11.03 ? 275 GLY A C 1 ATOM 1871 O O . GLY A 1 251 ? -6.744 -3.105 10.440 1.00 11.57 ? 275 GLY A O 1 ATOM 1872 N N . SER A 1 252 ? -5.019 -2.546 9.078 1.00 10.43 ? 276 SER A N 1 ATOM 1873 C CA . SER A 1 252 ? -5.272 -3.598 8.098 1.00 10.87 ? 276 SER A CA 1 ATOM 1874 C C . SER A 1 252 ? -5.157 -5.003 8.695 1.00 10.41 ? 276 SER A C 1 ATOM 1875 O O . SER A 1 252 ? -6.057 -5.833 8.540 1.00 10.08 ? 276 SER A O 1 ATOM 1876 C CB . SER A 1 252 ? -4.329 -3.447 6.895 1.00 10.89 ? 276 SER A CB 1 ATOM 1877 O OG . SER A 1 252 ? -4.688 -4.362 5.872 1.00 12.70 ? 276 SER A OG 1 ATOM 1878 N N . ILE A 1 253 ? -4.054 -5.291 9.380 1.00 9.85 ? 277 ILE A N 1 ATOM 1879 C CA . ILE A 1 253 ? -3.865 -6.662 9.852 1.00 9.53 ? 277 ILE A CA 1 ATOM 1880 C C . ILE A 1 253 ? -4.802 -7.030 11.003 1.00 9.78 ? 277 ILE A C 1 ATOM 1881 O O . ILE A 1 253 ? -5.199 -8.188 11.132 1.00 10.05 ? 277 ILE A O 1 ATOM 1882 C CB . ILE A 1 253 ? -2.387 -7.006 10.185 1.00 9.38 ? 277 ILE A CB 1 ATOM 1883 C CG1 . ILE A 1 253 ? -1.861 -6.182 11.373 1.00 8.82 ? 277 ILE A CG1 1 ATOM 1884 C CG2 . ILE A 1 253 ? -1.523 -6.855 8.926 1.00 7.94 ? 277 ILE A CG2 1 ATOM 1885 C CD1 . ILE A 1 253 ? -0.516 -6.717 11.943 1.00 9.85 ? 277 ILE A CD1 1 ATOM 1886 N N . HIS A 1 254 ? -5.167 -6.053 11.823 1.00 9.68 ? 278 HIS A N 1 ATOM 1887 C CA . HIS A 1 254 ? -6.069 -6.325 12.939 1.00 10.11 ? 278 HIS A CA 1 ATOM 1888 C C . HIS A 1 254 ? -7.554 -6.314 12.556 1.00 9.94 ? 278 HIS A C 1 ATOM 1889 O O . HIS A 1 254 ? -8.422 -6.642 13.377 1.00 9.58 ? 278 HIS A O 1 ATOM 1890 C CB . HIS A 1 254 ? -5.750 -5.405 14.128 1.00 10.47 ? 278 HIS A CB 1 ATOM 1891 C CG . HIS A 1 254 ? -4.435 -5.728 14.760 1.00 11.39 ? 278 HIS A CG 1 ATOM 1892 N ND1 . HIS A 1 254 ? -4.204 -6.924 15.407 1.00 12.85 ? 278 HIS A ND1 1 ATOM 1893 C CD2 . HIS A 1 254 ? -3.263 -5.051 14.787 1.00 12.38 ? 278 HIS A CD2 1 ATOM 1894 C CE1 . HIS A 1 254 ? -2.951 -6.960 15.826 1.00 13.66 ? 278 HIS A CE1 1 ATOM 1895 N NE2 . HIS A 1 254 ? -2.359 -5.834 15.464 1.00 13.00 ? 278 HIS A NE2 1 ATOM 1896 N N . THR A 1 255 ? -7.831 -5.960 11.306 1.00 10.24 ? 279 THR A N 1 ATOM 1897 C CA . THR A 1 255 ? -9.181 -6.097 10.745 1.00 11.17 ? 279 THR A CA 1 ATOM 1898 C C . THR A 1 255 ? -9.222 -7.056 9.533 1.00 11.76 ? 279 THR A C 1 ATOM 1899 O O . THR A 1 255 ? -10.215 -7.094 8.788 1.00 11.39 ? 279 THR A O 1 ATOM 1900 C CB . THR A 1 255 ? -9.822 -4.721 10.395 1.00 11.12 ? 279 THR A CB 1 ATOM 1901 O OG1 . THR A 1 255 ? -9.049 -4.066 9.388 1.00 11.80 ? 279 THR A OG1 1 ATOM 1902 C CG2 . THR A 1 255 ? -9.903 -3.827 11.626 1.00 11.30 ? 279 THR A CG2 1 ATOM 1903 N N . PHE A 1 256 ? -8.146 -7.827 9.352 1.00 11.96 ? 280 PHE A N 1 ATOM 1904 C CA . PHE A 1 256 ? -8.090 -8.892 8.342 1.00 12.74 ? 280 PHE A CA 1 ATOM 1905 C C . PHE A 1 256 ? -9.161 -9.943 8.620 1.00 13.22 ? 280 PHE A C 1 ATOM 1906 O O . PHE A 1 256 ? -9.294 -10.427 9.739 1.00 12.80 ? 280 PHE A O 1 ATOM 1907 C CB . PHE A 1 256 ? -6.686 -9.527 8.306 1.00 12.21 ? 280 PHE A CB 1 ATOM 1908 C CG . PHE A 1 256 ? -6.601 -10.848 7.552 1.00 12.51 ? 280 PHE A CG 1 ATOM 1909 C CD1 . PHE A 1 256 ? -6.860 -10.919 6.183 1.00 12.21 ? 280 PHE A CD1 1 ATOM 1910 C CD2 . PHE A 1 256 ? -6.218 -12.010 8.217 1.00 14.34 ? 280 PHE A CD2 1 ATOM 1911 C CE1 . PHE A 1 256 ? -6.759 -12.124 5.494 1.00 12.88 ? 280 PHE A CE1 1 ATOM 1912 C CE2 . PHE A 1 256 ? -6.112 -13.226 7.538 1.00 14.57 ? 280 PHE A CE2 1 ATOM 1913 C CZ . PHE A 1 256 ? -6.384 -13.282 6.175 1.00 14.12 ? 280 PHE A CZ 1 ATOM 1914 N N . ASP A 1 257 ? -9.943 -10.250 7.588 1.00 14.05 ? 281 ASP A N 1 ATOM 1915 C CA . ASP A 1 257 ? -10.937 -11.313 7.624 1.00 14.91 ? 281 ASP A CA 1 ATOM 1916 C C . ASP A 1 257 ? -10.537 -12.294 6.541 1.00 15.24 ? 281 ASP A C 1 ATOM 1917 O O . ASP A 1 257 ? -10.505 -11.921 5.361 1.00 15.26 ? 281 ASP A O 1 ATOM 1918 C CB . ASP A 1 257 ? -12.335 -10.760 7.317 1.00 15.05 ? 281 ASP A CB 1 ATOM 1919 C CG . ASP A 1 257 ? -13.448 -11.765 7.605 1.00 15.98 ? 281 ASP A CG 1 ATOM 1920 O OD1 . ASP A 1 257 ? -13.286 -12.966 7.298 1.00 16.96 ? 281 ASP A OD1 1 ATOM 1921 O OD2 . ASP A 1 257 ? -14.496 -11.346 8.144 1.00 17.03 ? 281 ASP A OD2 1 ATOM 1922 N N . PRO A 1 258 ? -10.238 -13.549 6.924 1.00 15.70 ? 282 PRO A N 1 ATOM 1923 C CA . PRO A 1 258 ? -9.783 -14.552 5.955 1.00 16.55 ? 282 PRO A CA 1 ATOM 1924 C C . PRO A 1 258 ? -10.850 -14.946 4.924 1.00 17.37 ? 282 PRO A C 1 ATOM 1925 O O . PRO A 1 258 ? -10.535 -15.646 3.968 1.00 17.51 ? 282 PRO A O 1 ATOM 1926 C CB . PRO A 1 258 ? -9.437 -15.756 6.836 1.00 16.10 ? 282 PRO A CB 1 ATOM 1927 C CG . PRO A 1 258 ? -10.293 -15.596 8.039 1.00 16.18 ? 282 PRO A CG 1 ATOM 1928 C CD . PRO A 1 258 ? -10.333 -14.113 8.285 1.00 15.75 ? 282 PRO A CD 1 ATOM 1929 N N . GLU A 1 259 ? -12.097 -14.530 5.145 1.00 18.58 ? 283 GLU A N 1 ATOM 1930 C CA . GLU A 1 259 ? -13.183 -14.760 4.182 1.00 19.85 ? 283 GLU A CA 1 ATOM 1931 C C . GLU A 1 259 ? -13.245 -13.652 3.136 1.00 19.78 ? 283 GLU A C 1 ATOM 1932 O O . GLU A 1 259 ? -13.843 -13.832 2.077 1.00 19.67 ? 283 GLU A O 1 ATOM 1933 C CB . GLU A 1 259 ? -14.538 -14.808 4.881 1.00 19.74 ? 283 GLU A CB 1 ATOM 1934 C CG . GLU A 1 259 ? -14.804 -16.023 5.736 1.00 21.35 ? 283 GLU A CG 1 ATOM 1935 C CD . GLU A 1 259 ? -16.194 -15.985 6.363 1.00 21.75 ? 283 GLU A CD 1 ATOM 1936 O OE1 . GLU A 1 259 ? -16.521 -16.914 7.132 1.00 24.56 ? 283 GLU A OE1 1 ATOM 1937 O OE2 . GLU A 1 259 ? -16.958 -15.022 6.101 1.00 23.62 ? 283 GLU A OE2 1 ATOM 1938 N N . ALA A 1 260 ? -12.643 -12.503 3.444 1.00 19.70 ? 284 ALA A N 1 ATOM 1939 C CA . ALA A 1 260 ? -12.765 -11.315 2.601 1.00 20.01 ? 284 ALA A CA 1 ATOM 1940 C C . ALA A 1 260 ? -11.994 -11.383 1.287 1.00 20.50 ? 284 ALA A C 1 ATOM 1941 O O . ALA A 1 260 ? -10.888 -11.937 1.216 1.00 20.53 ? 284 ALA A O 1 ATOM 1942 C CB . ALA A 1 260 ? -12.353 -10.075 3.375 1.00 20.07 ? 284 ALA A CB 1 ATOM 1943 N N . ALA A 1 261 ? -12.590 -10.795 0.252 1.00 20.39 ? 285 ALA A N 1 ATOM 1944 C CA . ALA A 1 261 ? -11.884 -10.489 -0.983 1.00 20.50 ? 285 ALA A CA 1 ATOM 1945 C C . ALA A 1 261 ? -10.975 -9.275 -0.760 1.00 20.40 ? 285 ALA A C 1 ATOM 1946 O O . ALA A 1 261 ? -10.847 -8.784 0.368 1.00 20.48 ? 285 ALA A O 1 ATOM 1947 C CB . ALA A 1 261 ? -12.888 -10.233 -2.119 1.00 20.84 ? 285 ALA A CB 1 ATOM 1948 N N . CYS A 1 262 ? -10.328 -8.796 -1.817 1.00 19.72 ? 286 CYS A N 1 ATOM 1949 C CA . CYS A 1 262 ? -9.397 -7.685 -1.674 1.00 19.30 ? 286 CYS A CA 1 ATOM 1950 C C . CYS A 1 262 ? -10.131 -6.333 -1.609 1.00 18.80 ? 286 CYS A C 1 ATOM 1951 O O . CYS A 1 262 ? -9.910 -5.442 -2.438 1.00 18.61 ? 286 CYS A O 1 ATOM 1952 C CB . CYS A 1 262 ? -8.336 -7.728 -2.775 1.00 19.10 ? 286 CYS A CB 1 ATOM 1953 S SG . CYS A 1 262 ? -7.344 -9.259 -2.789 1.00 19.82 ? 286 CYS A SG 1 ATOM 1954 N N . ASP A 1 263 ? -10.979 -6.202 -0.588 1.00 18.34 ? 287 ASP A N 1 ATOM 1955 C CA . ASP A 1 263 ? -11.932 -5.096 -0.461 1.00 18.22 ? 287 ASP A CA 1 ATOM 1956 C C . ASP A 1 263 ? -11.278 -3.802 -0.026 1.00 17.81 ? 287 ASP A C 1 ATOM 1957 O O . ASP A 1 263 ? -10.759 -3.701 1.099 1.00 17.31 ? 287 ASP A O 1 ATOM 1958 C CB . ASP A 1 263 ? -13.049 -5.448 0.525 1.00 18.02 ? 287 ASP A CB 1 ATOM 1959 C CG . ASP A 1 263 ? -14.027 -6.453 -0.028 1.00 19.61 ? 287 ASP A CG 1 ATOM 1960 O OD1 . ASP A 1 263 ? -14.052 -6.663 -1.258 1.00 20.47 ? 287 ASP A OD1 1 ATOM 1961 O OD2 . ASP A 1 263 ? -14.791 -7.032 0.773 1.00 21.01 ? 287 ASP A OD2 1 ATOM 1962 N N . ASP A 1 264 ? -11.311 -2.820 -0.927 1.00 17.15 ? 288 ASP A N 1 ATOM 1963 C CA . ASP A 1 264 ? -10.850 -1.461 -0.633 1.00 17.20 ? 288 ASP A CA 1 ATOM 1964 C C . ASP A 1 264 ? -11.591 -0.806 0.532 1.00 16.43 ? 288 ASP A C 1 ATOM 1965 O O . ASP A 1 264 ? -10.975 -0.121 1.348 1.00 16.18 ? 288 ASP A O 1 ATOM 1966 C CB . ASP A 1 264 ? -10.955 -0.571 -1.878 1.00 17.51 ? 288 ASP A CB 1 ATOM 1967 C CG . ASP A 1 264 ? -9.705 -0.603 -2.729 1.00 18.96 ? 288 ASP A CG 1 ATOM 1968 O OD1 . ASP A 1 264 ? -8.647 -1.039 -2.226 1.00 18.85 ? 288 ASP A OD1 1 ATOM 1969 O OD2 . ASP A 1 264 ? -9.771 -0.169 -3.903 1.00 20.58 ? 288 ASP A OD2 1 ATOM 1970 N N . SER A 1 265 ? -12.904 -1.024 0.621 1.00 16.12 ? 289 SER A N 1 ATOM 1971 C CA . SER A 1 265 ? -13.727 -0.327 1.626 1.00 15.69 ? 289 SER A CA 1 ATOM 1972 C C . SER A 1 265 ? -13.333 -0.643 3.072 1.00 15.57 ? 289 SER A C 1 ATOM 1973 O O . SER A 1 265 ? -13.525 0.188 3.974 1.00 15.19 ? 289 SER A O 1 ATOM 1974 C CB . SER A 1 265 ? -15.211 -0.625 1.417 1.00 16.08 ? 289 SER A CB 1 ATOM 1975 O OG . SER A 1 265 ? -15.497 -1.971 1.733 1.00 15.95 ? 289 SER A OG 1 ATOM 1976 N N . THR A 1 266 ? -12.802 -1.848 3.289 1.00 14.74 ? 290 THR A N 1 ATOM 1977 C CA . THR A 1 266 ? -12.352 -2.274 4.622 1.00 14.10 ? 290 THR A CA 1 ATOM 1978 C C . THR A 1 266 ? -10.830 -2.439 4.671 1.00 13.83 ? 290 THR A C 1 ATOM 1979 O O . THR A 1 266 ? -10.293 -3.002 5.630 1.00 13.88 ? 290 THR A O 1 ATOM 1980 C CB . THR A 1 266 ? -13.032 -3.581 5.056 1.00 14.26 ? 290 THR A CB 1 ATOM 1981 O OG1 . THR A 1 266 ? -12.729 -4.611 4.108 1.00 14.36 ? 290 THR A OG1 1 ATOM 1982 C CG2 . THR A 1 266 ? -14.546 -3.405 5.149 1.00 14.51 ? 290 THR A CG2 1 ATOM 1983 N N . PHE A 1 267 ? -10.146 -1.952 3.632 1.00 12.80 ? 291 PHE A N 1 ATOM 1984 C CA . PHE A 1 267 ? -8.678 -1.894 3.597 1.00 12.85 ? 291 PHE A CA 1 ATOM 1985 C C . PHE A 1 267 ? -8.044 -3.233 3.970 1.00 12.57 ? 291 PHE A C 1 ATOM 1986 O O . PHE A 1 267 ? -7.084 -3.302 4.754 1.00 12.49 ? 291 PHE A O 1 ATOM 1987 C CB . PHE A 1 267 ? -8.144 -0.770 4.496 1.00 12.90 ? 291 PHE A CB 1 ATOM 1988 C CG . PHE A 1 267 ? -8.663 0.602 4.132 1.00 13.04 ? 291 PHE A CG 1 ATOM 1989 C CD1 . PHE A 1 267 ? -9.892 1.049 4.617 1.00 12.84 ? 291 PHE A CD1 1 ATOM 1990 C CD2 . PHE A 1 267 ? -7.925 1.443 3.303 1.00 12.47 ? 291 PHE A CD2 1 ATOM 1991 C CE1 . PHE A 1 267 ? -10.371 2.322 4.289 1.00 12.54 ? 291 PHE A CE1 1 ATOM 1992 C CE2 . PHE A 1 267 ? -8.391 2.719 2.973 1.00 13.43 ? 291 PHE A CE2 1 ATOM 1993 C CZ . PHE A 1 267 ? -9.623 3.159 3.465 1.00 12.40 ? 291 PHE A CZ 1 ATOM 1994 N N . GLN A 1 268 ? -8.600 -4.297 3.397 1.00 11.87 ? 292 GLN A N 1 ATOM 1995 C CA . GLN A 1 268 ? -8.080 -5.638 3.594 1.00 11.87 ? 292 GLN A CA 1 ATOM 1996 C C . GLN A 1 268 ? -6.640 -5.705 3.099 1.00 11.75 ? 292 GLN A C 1 ATOM 1997 O O . GLN A 1 268 ? -6.253 -4.943 2.212 1.00 11.37 ? 292 GLN A O 1 ATOM 1998 C CB . GLN A 1 268 ? -8.965 -6.669 2.880 1.00 11.84 ? 292 GLN A CB 1 ATOM 1999 C CG . GLN A 1 268 ? -10.335 -6.878 3.548 1.00 11.71 ? 292 GLN A CG 1 ATOM 2000 C CD . GLN A 1 268 ? -10.221 -7.386 4.980 1.00 13.39 ? 292 GLN A CD 1 ATOM 2001 O OE1 . GLN A 1 268 ? -9.600 -8.410 5.229 1.00 12.22 ? 292 GLN A OE1 1 ATOM 2002 N NE2 . GLN A 1 268 ? -10.830 -6.671 5.922 1.00 13.52 ? 292 GLN A NE2 1 ATOM 2003 N N . PRO A 1 269 ? -5.834 -6.607 3.684 1.00 11.98 ? 293 PRO A N 1 ATOM 2004 C CA . PRO A 1 269 ? -4.420 -6.699 3.320 1.00 12.53 ? 293 PRO A CA 1 ATOM 2005 C C . PRO A 1 269 ? -4.107 -6.762 1.823 1.00 12.57 ? 293 PRO A C 1 ATOM 2006 O O . PRO A 1 269 ? -3.112 -6.187 1.412 1.00 12.95 ? 293 PRO A O 1 ATOM 2007 C CB . PRO A 1 269 ? -3.956 -7.965 4.042 1.00 12.02 ? 293 PRO A CB 1 ATOM 2008 C CG . PRO A 1 269 ? -4.810 -7.981 5.272 1.00 12.47 ? 293 PRO A CG 1 ATOM 2009 C CD . PRO A 1 269 ? -6.176 -7.550 4.764 1.00 11.93 ? 293 PRO A CD 1 ATOM 2010 N N . CYS A 1 270 ? -4.925 -7.442 1.017 1.00 13.32 ? 294 CYS A N 1 ATOM 2011 C CA . CYS A 1 270 ? -4.633 -7.517 -0.429 1.00 13.84 ? 294 CYS A CA 1 ATOM 2012 C C . CYS A 1 270 ? -5.378 -6.473 -1.269 1.00 13.95 ? 294 CYS A C 1 ATOM 2013 O O . CYS A 1 270 ? -5.244 -6.457 -2.501 1.00 13.57 ? 294 CYS A O 1 ATOM 2014 C CB . CYS A 1 270 ? -4.893 -8.919 -0.996 1.00 14.00 ? 294 CYS A CB 1 ATOM 2015 S SG . CYS A 1 270 ? -6.608 -9.425 -0.884 1.00 14.82 ? 294 CYS A SG 1 ATOM 2016 N N . SER A 1 271 ? -6.163 -5.611 -0.623 1.00 14.05 ? 295 SER A N 1 ATOM 2017 C CA . SER A 1 271 ? -6.839 -4.529 -1.352 1.00 13.92 ? 295 SER A CA 1 ATOM 2018 C C . SER A 1 271 ? -5.795 -3.608 -1.989 1.00 13.92 ? 295 SER A C 1 ATOM 2019 O O . SER A 1 271 ? -4.723 -3.416 -1.417 1.00 14.16 ? 295 SER A O 1 ATOM 2020 C CB . SER A 1 271 ? -7.744 -3.731 -0.416 1.00 13.64 ? 295 SER A CB 1 ATOM 2021 O OG . SER A 1 271 ? -6.972 -2.941 0.471 1.00 13.81 ? 295 SER A OG 1 ATOM 2022 N N . PRO A 1 272 ? -6.087 -3.046 -3.181 1.00 13.78 ? 296 PRO A N 1 ATOM 2023 C CA . PRO A 1 272 ? -5.129 -2.139 -3.832 1.00 13.64 ? 296 PRO A CA 1 ATOM 2024 C C . PRO A 1 272 ? -4.699 -0.972 -2.943 1.00 13.28 ? 296 PRO A C 1 ATOM 2025 O O . PRO A 1 272 ? -3.530 -0.576 -2.960 1.00 13.48 ? 296 PRO A O 1 ATOM 2026 C CB . PRO A 1 272 ? -5.909 -1.616 -5.049 1.00 13.59 ? 296 PRO A CB 1 ATOM 2027 C CG . PRO A 1 272 ? -6.893 -2.671 -5.340 1.00 13.79 ? 296 PRO A CG 1 ATOM 2028 C CD . PRO A 1 272 ? -7.300 -3.236 -4.003 1.00 13.88 ? 296 PRO A CD 1 ATOM 2029 N N . ARG A 1 273 ? -5.643 -0.438 -2.169 1.00 13.03 ? 297 ARG A N 1 ATOM 2030 C CA . ARG A 1 273 ? -5.371 0.639 -1.222 1.00 12.95 ? 297 ARG A CA 1 ATOM 2031 C C . ARG A 1 273 ? -4.330 0.261 -0.157 1.00 12.50 ? 297 ARG A C 1 ATOM 2032 O O . ARG A 1 273 ? -3.356 0.988 0.040 1.00 12.40 ? 297 ARG A O 1 ATOM 2033 C CB . ARG A 1 273 ? -6.664 1.072 -0.534 1.00 12.89 ? 297 ARG A CB 1 ATOM 2034 C CG . ARG A 1 273 ? -7.589 1.916 -1.383 1.00 14.22 ? 297 ARG A CG 1 ATOM 2035 C CD . ARG A 1 273 ? -8.843 2.163 -0.583 1.00 14.99 ? 297 ARG A CD 1 ATOM 2036 N NE . ARG A 1 273 ? -9.784 3.043 -1.256 1.00 17.92 ? 297 ARG A NE 1 ATOM 2037 C CZ . ARG A 1 273 ? -10.963 3.387 -0.744 1.00 18.23 ? 297 ARG A CZ 1 ATOM 2038 N NH1 . ARG A 1 273 ? -11.350 2.909 0.442 1.00 16.76 ? 297 ARG A NH1 1 ATOM 2039 N NH2 . ARG A 1 273 ? -11.754 4.208 -1.422 1.00 18.24 ? 297 ARG A NH2 1 ATOM 2040 N N . ALA A 1 274 ? -4.529 -0.878 0.507 1.00 12.55 ? 298 ALA A N 1 ATOM 2041 C CA . ALA A 1 274 ? -3.601 -1.330 1.567 1.00 12.22 ? 298 ALA A CA 1 ATOM 2042 C C . ALA A 1 274 ? -2.226 -1.726 1.029 1.00 12.10 ? 298 ALA A C 1 ATOM 2043 O O . ALA A 1 274 ? -1.222 -1.558 1.716 1.00 11.88 ? 298 ALA A O 1 ATOM 2044 C CB . ALA A 1 274 ? -4.200 -2.458 2.371 1.00 11.87 ? 298 ALA A CB 1 ATOM 2045 N N . LEU A 1 275 ? -2.184 -2.240 -0.200 1.00 11.72 ? 299 LEU A N 1 ATOM 2046 C CA . LEU A 1 275 ? -0.912 -2.579 -0.845 1.00 11.86 ? 299 LEU A CA 1 ATOM 2047 C C . LEU A 1 275 ? -0.136 -1.338 -1.271 1.00 11.82 ? 299 LEU A C 1 ATOM 2048 O O . LEU A 1 275 ? 1.080 -1.251 -1.054 1.00 12.04 ? 299 LEU A O 1 ATOM 2049 C CB . LEU A 1 275 ? -1.128 -3.516 -2.042 1.00 12.04 ? 299 LEU A CB 1 ATOM 2050 C CG . LEU A 1 275 ? -1.606 -4.944 -1.760 1.00 12.18 ? 299 LEU A CG 1 ATOM 2051 C CD1 . LEU A 1 275 ? -1.850 -5.677 -3.066 1.00 13.09 ? 299 LEU A CD1 1 ATOM 2052 C CD2 . LEU A 1 275 ? -0.625 -5.727 -0.873 1.00 13.57 ? 299 LEU A CD2 1 ATOM 2053 N N . ALA A 1 276 ? -0.832 -0.377 -1.878 1.00 11.34 ? 300 ALA A N 1 ATOM 2054 C CA . ALA A 1 276 ? -0.224 0.911 -2.191 1.00 11.45 ? 300 ALA A CA 1 ATOM 2055 C C . ALA A 1 276 ? 0.316 1.554 -0.898 1.00 11.53 ? 300 ALA A C 1 ATOM 2056 O O . ALA A 1 276 ? 1.459 2.026 -0.853 1.00 11.88 ? 300 ALA A O 1 ATOM 2057 C CB . ALA A 1 276 ? -1.242 1.827 -2.878 1.00 10.91 ? 300 ALA A CB 1 ATOM 2058 N N . ASN A 1 277 ? -0.502 1.535 0.152 1.00 11.11 ? 301 ASN A N 1 ATOM 2059 C CA . ASN A 1 277 ? -0.125 2.110 1.454 1.00 11.66 ? 301 ASN A CA 1 ATOM 2060 C C . ASN A 1 277 ? 1.101 1.412 2.053 1.00 11.53 ? 301 ASN A C 1 ATOM 2061 O O . ASN A 1 277 ? 1.990 2.071 2.604 1.00 11.53 ? 301 ASN A O 1 ATOM 2062 C CB . ASN A 1 277 ? -1.307 2.042 2.430 1.00 11.17 ? 301 ASN A CB 1 ATOM 2063 C CG . ASN A 1 277 ? -0.973 2.614 3.802 1.00 11.29 ? 301 ASN A CG 1 ATOM 2064 O OD1 . ASN A 1 277 ? -0.772 3.820 3.955 1.00 10.79 ? 301 ASN A OD1 1 ATOM 2065 N ND2 . ASN A 1 277 ? -0.923 1.745 4.808 1.00 9.02 ? 301 ASN A ND2 1 ATOM 2066 N N . HIS A 1 278 ? 1.137 0.084 1.931 1.00 11.39 ? 302 HIS A N 1 ATOM 2067 C CA . HIS A 1 278 ? 2.281 -0.711 2.387 1.00 11.76 ? 302 HIS A CA 1 ATOM 2068 C C . HIS A 1 278 ? 3.590 -0.126 1.851 1.00 11.45 ? 302 HIS A C 1 ATOM 2069 O O . HIS A 1 278 ? 4.506 0.150 2.617 1.00 10.85 ? 302 HIS A O 1 ATOM 2070 C CB . HIS A 1 278 ? 2.137 -2.180 1.970 1.00 11.67 ? 302 HIS A CB 1 ATOM 2071 C CG . HIS A 1 278 ? 3.096 -3.101 2.669 1.00 13.02 ? 302 HIS A CG 1 ATOM 2072 N ND1 . HIS A 1 278 ? 4.404 -3.259 2.264 1.00 13.59 ? 302 HIS A ND1 1 ATOM 2073 C CD2 . HIS A 1 278 ? 2.939 -3.896 3.754 1.00 12.56 ? 302 HIS A CD2 1 ATOM 2074 C CE1 . HIS A 1 278 ? 5.009 -4.119 3.063 1.00 13.52 ? 302 HIS A CE1 1 ATOM 2075 N NE2 . HIS A 1 278 ? 4.140 -4.528 3.970 1.00 13.19 ? 302 HIS A NE2 1 ATOM 2076 N N . LYS A 1 279 ? 3.658 0.095 0.538 1.00 11.56 ? 303 LYS A N 1 ATOM 2077 C CA . LYS A 1 279 ? 4.883 0.605 -0.075 1.00 12.04 ? 303 LYS A CA 1 ATOM 2078 C C . LYS A 1 279 ? 5.236 2.003 0.428 1.00 11.94 ? 303 LYS A C 1 ATOM 2079 O O . LYS A 1 279 ? 6.393 2.269 0.750 1.00 11.74 ? 303 LYS A O 1 ATOM 2080 C CB . LYS A 1 279 ? 4.814 0.573 -1.611 1.00 12.37 ? 303 LYS A CB 1 ATOM 2081 C CG . LYS A 1 279 ? 6.021 1.241 -2.284 1.00 13.53 ? 303 LYS A CG 1 ATOM 2082 C CD . LYS A 1 279 ? 6.253 0.739 -3.692 1.00 15.86 ? 303 LYS A CD 1 ATOM 2083 C CE . LYS A 1 279 ? 7.469 1.404 -4.317 1.00 16.52 ? 303 LYS A CE 1 ATOM 2084 N NZ . LYS A 1 279 ? 8.757 1.027 -3.654 1.00 15.72 ? 303 LYS A NZ 1 ATOM 2085 N N . GLU A 1 280 ? 4.237 2.881 0.512 1.00 11.89 ? 304 GLU A N 1 ATOM 2086 C CA . GLU A 1 280 ? 4.455 4.256 0.984 1.00 12.13 ? 304 GLU A CA 1 ATOM 2087 C C . GLU A 1 280 ? 4.970 4.307 2.421 1.00 11.76 ? 304 GLU A C 1 ATOM 2088 O O . GLU A 1 280 ? 5.886 5.067 2.735 1.00 12.02 ? 304 GLU A O 1 ATOM 2089 C CB . GLU A 1 280 ? 3.170 5.081 0.848 1.00 12.48 ? 304 GLU A CB 1 ATOM 2090 C CG . GLU A 1 280 ? 2.719 5.286 -0.590 1.00 13.25 ? 304 GLU A CG 1 ATOM 2091 C CD . GLU A 1 280 ? 3.309 6.516 -1.255 1.00 16.37 ? 304 GLU A CD 1 ATOM 2092 O OE1 . GLU A 1 280 ? 4.129 7.225 -0.636 1.00 17.45 ? 304 GLU A OE1 1 ATOM 2093 O OE2 . GLU A 1 280 ? 2.938 6.786 -2.418 1.00 18.64 ? 304 GLU A OE2 1 ATOM 2094 N N . VAL A 1 281 ? 4.374 3.497 3.290 1.00 11.73 ? 305 VAL A N 1 ATOM 2095 C CA . VAL A 1 281 ? 4.779 3.450 4.690 1.00 11.11 ? 305 VAL A CA 1 ATOM 2096 C C . VAL A 1 281 ? 6.201 2.883 4.804 1.00 11.08 ? 305 VAL A C 1 ATOM 2097 O O . VAL A 1 281 ? 7.083 3.533 5.347 1.00 10.75 ? 305 VAL A O 1 ATOM 2098 C CB . VAL A 1 281 ? 3.760 2.660 5.558 1.00 11.56 ? 305 VAL A CB 1 ATOM 2099 C CG1 . VAL A 1 281 ? 4.236 2.560 7.025 1.00 10.29 ? 305 VAL A CG1 1 ATOM 2100 C CG2 . VAL A 1 281 ? 2.377 3.317 5.497 1.00 11.44 ? 305 VAL A CG2 1 ATOM 2101 N N . VAL A 1 282 ? 6.429 1.693 4.250 1.00 11.55 ? 306 VAL A N 1 ATOM 2102 C CA . VAL A 1 282 ? 7.761 1.056 4.318 1.00 11.43 ? 306 VAL A CA 1 ATOM 2103 C C . VAL A 1 282 ? 8.863 1.958 3.724 1.00 12.26 ? 306 VAL A C 1 ATOM 2104 O O . VAL A 1 282 ? 9.910 2.171 4.355 1.00 11.82 ? 306 VAL A O 1 ATOM 2105 C CB . VAL A 1 282 ? 7.740 -0.380 3.699 1.00 11.55 ? 306 VAL A CB 1 ATOM 2106 C CG1 . VAL A 1 282 ? 9.152 -0.978 3.603 1.00 11.50 ? 306 VAL A CG1 1 ATOM 2107 C CG2 . VAL A 1 282 ? 6.833 -1.304 4.517 1.00 9.79 ? 306 VAL A CG2 1 ATOM 2108 N N . ASP A 1 283 ? 8.614 2.511 2.535 1.00 12.94 ? 307 ASP A N 1 ATOM 2109 C CA . ASP A 1 283 ? 9.561 3.423 1.877 1.00 14.01 ? 307 ASP A CA 1 ATOM 2110 C C . ASP A 1 283 ? 9.975 4.631 2.726 1.00 14.03 ? 307 ASP A C 1 ATOM 2111 O O . ASP A 1 283 ? 11.096 5.122 2.597 1.00 14.06 ? 307 ASP A O 1 ATOM 2112 C CB . ASP A 1 283 ? 9.003 3.939 0.539 1.00 14.69 ? 307 ASP A CB 1 ATOM 2113 C CG . ASP A 1 283 ? 9.033 2.896 -0.579 1.00 16.41 ? 307 ASP A CG 1 ATOM 2114 O OD1 . ASP A 1 283 ? 9.281 1.691 -0.322 1.00 17.99 ? 307 ASP A OD1 1 ATOM 2115 O OD2 . ASP A 1 283 ? 8.771 3.294 -1.735 1.00 18.27 ? 307 ASP A OD2 1 ATOM 2116 N N . SER A 1 284 ? 9.079 5.114 3.591 1.00 14.06 ? 308 SER A N 1 ATOM 2117 C CA . SER A 1 284 ? 9.385 6.271 4.434 1.00 13.83 ? 308 SER A CA 1 ATOM 2118 C C . SER A 1 284 ? 10.542 6.002 5.412 1.00 13.98 ? 308 SER A C 1 ATOM 2119 O O . SER A 1 284 ? 11.118 6.930 5.976 1.00 13.72 ? 308 SER A O 1 ATOM 2120 C CB . SER A 1 284 ? 8.133 6.766 5.182 1.00 13.98 ? 308 SER A CB 1 ATOM 2121 O OG . SER A 1 284 ? 7.847 5.973 6.319 1.00 13.58 ? 308 SER A OG 1 ATOM 2122 N N . PHE A 1 285 ? 10.896 4.733 5.586 1.00 14.20 ? 309 PHE A N 1 ATOM 2123 C CA . PHE A 1 285 ? 11.950 4.376 6.545 1.00 14.52 ? 309 PHE A CA 1 ATOM 2124 C C . PHE A 1 285 ? 13.291 4.041 5.890 1.00 14.99 ? 309 PHE A C 1 ATOM 2125 O O . PHE A 1 285 ? 14.291 3.850 6.584 1.00 14.95 ? 309 PHE A O 1 ATOM 2126 C CB . PHE A 1 285 ? 11.475 3.258 7.478 1.00 13.85 ? 309 PHE A CB 1 ATOM 2127 C CG . PHE A 1 285 ? 10.277 3.645 8.303 1.00 13.15 ? 309 PHE A CG 1 ATOM 2128 C CD1 . PHE A 1 285 ? 10.424 4.463 9.429 1.00 11.08 ? 309 PHE A CD1 1 ATOM 2129 C CD2 . PHE A 1 285 ? 9.004 3.234 7.935 1.00 12.97 ? 309 PHE A CD2 1 ATOM 2130 C CE1 . PHE A 1 285 ? 9.315 4.843 10.188 1.00 10.65 ? 309 PHE A CE1 1 ATOM 2131 C CE2 . PHE A 1 285 ? 7.885 3.600 8.690 1.00 12.18 ? 309 PHE A CE2 1 ATOM 2132 C CZ . PHE A 1 285 ? 8.048 4.413 9.817 1.00 11.82 ? 309 PHE A CZ 1 ATOM 2133 N N . ARG A 1 286 ? 13.308 4.021 4.558 1.00 15.83 ? 310 ARG A N 1 ATOM 2134 C CA . ARG A 1 286 ? 14.480 3.574 3.796 1.00 16.76 ? 310 ARG A CA 1 ATOM 2135 C C . ARG A 1 286 ? 15.708 4.477 3.917 1.00 17.76 ? 310 ARG A C 1 ATOM 2136 O O . ARG A 1 286 ? 16.830 3.974 4.033 1.00 18.70 ? 310 ARG A O 1 ATOM 2137 C CB . ARG A 1 286 ? 14.122 3.316 2.329 1.00 16.35 ? 310 ARG A CB 1 ATOM 2138 C CG . ARG A 1 286 ? 13.226 2.109 2.157 1.00 16.04 ? 310 ARG A CG 1 ATOM 2139 C CD . ARG A 1 286 ? 12.814 1.857 0.714 1.00 16.15 ? 310 ARG A CD 1 ATOM 2140 N NE . ARG A 1 286 ? 11.904 0.713 0.630 1.00 14.56 ? 310 ARG A NE 1 ATOM 2141 C CZ . ARG A 1 286 ? 12.294 -0.562 0.594 1.00 14.05 ? 310 ARG A CZ 1 ATOM 2142 N NH1 . ARG A 1 286 ? 13.586 -0.871 0.611 1.00 13.84 ? 310 ARG A NH1 1 ATOM 2143 N NH2 . ARG A 1 286 ? 11.391 -1.535 0.523 1.00 12.78 ? 310 ARG A NH2 1 ATOM 2144 N N . SER A 1 287 ? 15.496 5.794 3.903 1.00 18.47 ? 311 SER A N 1 ATOM 2145 C CA . SER A 1 287 ? 16.590 6.763 3.904 1.00 18.98 ? 311 SER A CA 1 ATOM 2146 C C . SER A 1 287 ? 16.962 7.262 5.299 1.00 18.73 ? 311 SER A C 1 ATOM 2147 O O . SER A 1 287 ? 18.085 7.724 5.517 1.00 19.38 ? 311 SER A O 1 ATOM 2148 C CB . SER A 1 287 ? 16.244 7.957 3.002 1.00 19.55 ? 311 SER A CB 1 ATOM 2149 O OG . SER A 1 287 ? 15.204 8.757 3.570 1.00 20.89 ? 311 SER A OG 1 ATOM 2150 N N . ILE A 1 288 ? 16.027 7.165 6.238 1.00 17.88 ? 312 ILE A N 1 ATOM 2151 C CA . ILE A 1 288 ? 16.173 7.821 7.539 1.00 17.48 ? 312 ILE A CA 1 ATOM 2152 C C . ILE A 1 288 ? 16.878 6.986 8.617 1.00 16.98 ? 312 ILE A C 1 ATOM 2153 O O . ILE A 1 288 ? 17.266 7.515 9.672 1.00 17.07 ? 312 ILE A O 1 ATOM 2154 C CB . ILE A 1 288 ? 14.809 8.381 8.062 1.00 17.42 ? 312 ILE A CB 1 ATOM 2155 C CG1 . ILE A 1 288 ? 13.799 7.253 8.310 1.00 17.83 ? 312 ILE A CG1 1 ATOM 2156 C CG2 . ILE A 1 288 ? 14.253 9.412 7.071 1.00 17.72 ? 312 ILE A CG2 1 ATOM 2157 C CD1 . ILE A 1 288 ? 12.554 7.675 9.118 1.00 17.39 ? 312 ILE A CD1 1 ATOM 2158 N N . TYR A 1 289 ? 17.022 5.688 8.350 1.00 16.28 ? 313 TYR A N 1 ATOM 2159 C CA . TYR A 1 289 ? 17.747 4.777 9.236 1.00 15.83 ? 313 TYR A CA 1 ATOM 2160 C C . TYR A 1 289 ? 19.028 4.272 8.559 1.00 15.82 ? 313 TYR A C 1 ATOM 2161 O O . TYR A 1 289 ? 18.979 3.712 7.465 1.00 15.74 ? 313 TYR A O 1 ATOM 2162 C CB . TYR A 1 289 ? 16.884 3.567 9.615 1.00 15.28 ? 313 TYR A CB 1 ATOM 2163 C CG . TYR A 1 289 ? 15.558 3.851 10.310 1.00 14.37 ? 313 TYR A CG 1 ATOM 2164 C CD1 . TYR A 1 289 ? 15.365 4.989 11.106 1.00 14.57 ? 313 TYR A CD1 1 ATOM 2165 C CD2 . TYR A 1 289 ? 14.509 2.932 10.215 1.00 14.39 ? 313 TYR A CD2 1 ATOM 2166 C CE1 . TYR A 1 289 ? 14.123 5.224 11.758 1.00 14.50 ? 313 TYR A CE1 1 ATOM 2167 C CE2 . TYR A 1 289 ? 13.294 3.150 10.850 1.00 13.86 ? 313 TYR A CE2 1 ATOM 2168 C CZ . TYR A 1 289 ? 13.102 4.291 11.616 1.00 14.57 ? 313 TYR A CZ 1 ATOM 2169 O OH . TYR A 1 289 ? 11.889 4.471 12.245 1.00 13.60 ? 313 TYR A OH 1 ATOM 2170 N N . THR A 1 290 ? 20.161 4.470 9.223 1.00 16.16 ? 314 THR A N 1 ATOM 2171 C CA . THR A 1 290 ? 21.456 3.943 8.769 1.00 17.16 ? 314 THR A CA 1 ATOM 2172 C C . THR A 1 290 ? 21.453 2.410 8.714 1.00 16.96 ? 314 THR A C 1 ATOM 2173 O O . THR A 1 290 ? 22.168 1.796 7.917 1.00 16.96 ? 314 THR A O 1 ATOM 2174 C CB . THR A 1 290 ? 22.578 4.438 9.694 1.00 16.98 ? 314 THR A CB 1 ATOM 2175 O OG1 . THR A 1 290 ? 22.655 5.868 9.607 1.00 18.87 ? 314 THR A OG1 1 ATOM 2176 C CG2 . THR A 1 290 ? 23.916 3.840 9.307 1.00 18.73 ? 314 THR A CG2 1 ATOM 2177 N N . LEU A 1 291 ? 20.627 1.801 9.559 1.00 17.19 ? 315 LEU A N 1 ATOM 2178 C CA . LEU A 1 291 ? 20.451 0.355 9.583 1.00 17.28 ? 315 LEU A CA 1 ATOM 2179 C C . LEU A 1 291 ? 20.011 -0.163 8.213 1.00 17.55 ? 315 LEU A C 1 ATOM 2180 O O . LEU A 1 291 ? 20.333 -1.293 7.839 1.00 17.20 ? 315 LEU A O 1 ATOM 2181 C CB . LEU A 1 291 ? 19.426 -0.013 10.658 1.00 17.29 ? 315 LEU A CB 1 ATOM 2182 C CG . LEU A 1 291 ? 19.254 -1.451 11.126 1.00 18.09 ? 315 LEU A CG 1 ATOM 2183 C CD1 . LEU A 1 291 ? 20.561 -2.042 11.668 1.00 18.77 ? 315 LEU A CD1 1 ATOM 2184 C CD2 . LEU A 1 291 ? 18.149 -1.499 12.177 1.00 16.77 ? 315 LEU A CD2 1 ATOM 2185 N N . ASN A 1 292 ? 19.303 0.685 7.463 1.00 17.72 ? 316 ASN A N 1 ATOM 2186 C CA . ASN A 1 292 ? 18.792 0.335 6.138 1.00 18.21 ? 316 ASN A CA 1 ATOM 2187 C C . ASN A 1 292 ? 19.711 0.678 4.953 1.00 18.89 ? 316 ASN A C 1 ATOM 2188 O O . ASN A 1 292 ? 19.372 0.392 3.803 1.00 18.88 ? 316 ASN A O 1 ATOM 2189 C CB . ASN A 1 292 ? 17.401 0.950 5.936 1.00 18.22 ? 316 ASN A CB 1 ATOM 2190 C CG . ASN A 1 292 ? 16.353 0.337 6.850 1.00 17.97 ? 316 ASN A CG 1 ATOM 2191 O OD1 . ASN A 1 292 ? 16.489 -0.807 7.290 1.00 18.10 ? 316 ASN A OD1 1 ATOM 2192 N ND2 . ASN A 1 292 ? 15.286 1.092 7.128 1.00 17.78 ? 316 ASN A ND2 1 ATOM 2193 N N . ASP A 1 293 ? 20.868 1.279 5.244 1.00 19.86 ? 317 ASP A N 1 ATOM 2194 C CA . ASP A 1 293 ? 21.842 1.692 4.217 1.00 20.88 ? 317 ASP A CA 1 ATOM 2195 C C . ASP A 1 293 ? 22.176 0.559 3.248 1.00 21.18 ? 317 ASP A C 1 ATOM 2196 O O . ASP A 1 293 ? 22.340 -0.594 3.658 1.00 21.26 ? 317 ASP A O 1 ATOM 2197 C CB . ASP A 1 293 ? 23.140 2.205 4.868 1.00 21.07 ? 317 ASP A CB 1 ATOM 2198 C CG . ASP A 1 293 ? 23.077 3.688 5.267 1.00 22.66 ? 317 ASP A CG 1 ATOM 2199 O OD1 . ASP A 1 293 ? 22.069 4.373 4.974 1.00 23.90 ? 317 ASP A OD1 1 ATOM 2200 O OD2 . ASP A 1 293 ? 24.060 4.179 5.869 1.00 23.15 ? 317 ASP A OD2 1 ATOM 2201 N N . GLY A 1 294 ? 22.256 0.891 1.962 1.00 21.70 ? 318 GLY A N 1 ATOM 2202 C CA . GLY A 1 294 ? 22.683 -0.065 0.938 1.00 21.77 ? 318 GLY A CA 1 ATOM 2203 C C . GLY A 1 294 ? 21.633 -1.046 0.444 1.00 22.23 ? 318 GLY A C 1 ATOM 2204 O O . GLY A 1 294 ? 21.897 -1.812 -0.488 1.00 22.02 ? 318 GLY A O 1 ATOM 2205 N N . LEU A 1 295 ? 20.445 -1.037 1.057 1.00 22.09 ? 319 LEU A N 1 ATOM 2206 C CA . LEU A 1 295 ? 19.358 -1.911 0.617 1.00 22.36 ? 319 LEU A CA 1 ATOM 2207 C C . LEU A 1 295 ? 18.573 -1.275 -0.521 1.00 22.45 ? 319 LEU A C 1 ATOM 2208 O O . LEU A 1 295 ? 18.368 -0.063 -0.541 1.00 22.62 ? 319 LEU A O 1 ATOM 2209 C CB . LEU A 1 295 ? 18.419 -2.262 1.777 1.00 22.38 ? 319 LEU A CB 1 ATOM 2210 C CG . LEU A 1 295 ? 19.025 -3.052 2.946 1.00 22.56 ? 319 LEU A CG 1 ATOM 2211 C CD1 . LEU A 1 295 ? 18.145 -2.959 4.184 1.00 21.41 ? 319 LEU A CD1 1 ATOM 2212 C CD2 . LEU A 1 295 ? 19.282 -4.505 2.566 1.00 22.78 ? 319 LEU A CD2 1 ATOM 2213 N N . SER A 1 296 ? 18.137 -2.098 -1.467 1.00 22.45 ? 320 SER A N 1 ATOM 2214 C CA . SER A 1 296 ? 17.373 -1.609 -2.611 1.00 22.57 ? 320 SER A CA 1 ATOM 2215 C C . SER A 1 296 ? 15.864 -1.676 -2.336 1.00 22.48 ? 320 SER A C 1 ATOM 2216 O O . SER A 1 296 ? 15.432 -2.291 -1.358 1.00 22.36 ? 320 SER A O 1 ATOM 2217 C CB . SER A 1 296 ? 17.754 -2.379 -3.885 1.00 22.54 ? 320 SER A CB 1 ATOM 2218 O OG . SER A 1 296 ? 17.136 -3.649 -3.930 1.00 22.91 ? 320 SER A OG 1 ATOM 2219 N N . ASP A 1 297 ? 15.073 -1.042 -3.203 1.00 22.38 ? 321 ASP A N 1 ATOM 2220 C CA . ASP A 1 297 ? 13.609 -0.972 -3.047 1.00 22.11 ? 321 ASP A CA 1 ATOM 2221 C C . ASP A 1 297 ? 12.856 -2.306 -3.167 1.00 21.21 ? 321 ASP A C 1 ATOM 2222 O O . ASP A 1 297 ? 11.651 -2.358 -2.910 1.00 20.65 ? 321 ASP A O 1 ATOM 2223 C CB . ASP A 1 297 ? 13.007 0.053 -4.023 1.00 22.75 ? 321 ASP A CB 1 ATOM 2224 C CG . ASP A 1 297 ? 13.186 1.496 -3.558 1.00 24.96 ? 321 ASP A CG 1 ATOM 2225 O OD1 . ASP A 1 297 ? 12.730 2.408 -4.289 1.00 27.38 ? 321 ASP A OD1 1 ATOM 2226 O OD2 . ASP A 1 297 ? 13.778 1.733 -2.478 1.00 26.94 ? 321 ASP A OD2 1 ATOM 2227 N N . SER A 1 298 ? 13.551 -3.371 -3.563 1.00 20.00 ? 322 SER A N 1 ATOM 2228 C CA . SER A 1 298 ? 12.947 -4.705 -3.626 1.00 19.36 ? 322 SER A CA 1 ATOM 2229 C C . SER A 1 298 ? 13.190 -5.491 -2.340 1.00 18.51 ? 322 SER A C 1 ATOM 2230 O O . SER A 1 298 ? 12.661 -6.588 -2.165 1.00 18.43 ? 322 SER A O 1 ATOM 2231 C CB . SER A 1 298 ? 13.499 -5.499 -4.813 1.00 19.40 ? 322 SER A CB 1 ATOM 2232 O OG . SER A 1 298 ? 14.899 -5.658 -4.687 1.00 20.18 ? 322 SER A OG 1 ATOM 2233 N N . GLU A 1 299 ? 13.987 -4.915 -1.446 1.00 17.83 ? 323 GLU A N 1 ATOM 2234 C CA . GLU A 1 299 ? 14.388 -5.587 -0.214 1.00 17.00 ? 323 GLU A CA 1 ATOM 2235 C C . GLU A 1 299 ? 13.657 -5.031 1.005 1.00 16.43 ? 323 GLU A C 1 ATOM 2236 O O . GLU A 1 299 ? 13.332 -3.841 1.064 1.00 16.04 ? 323 GLU A O 1 ATOM 2237 C CB . GLU A 1 299 ? 15.894 -5.445 -0.010 1.00 17.10 ? 323 GLU A CB 1 ATOM 2238 C CG . GLU A 1 299 ? 16.721 -5.835 -1.211 1.00 17.50 ? 323 GLU A CG 1 ATOM 2239 C CD . GLU A 1 299 ? 18.201 -5.808 -0.911 1.00 19.74 ? 323 GLU A CD 1 ATOM 2240 O OE1 . GLU A 1 299 ? 18.860 -4.814 -1.267 1.00 20.32 ? 323 GLU A OE1 1 ATOM 2241 O OE2 . GLU A 1 299 ? 18.700 -6.772 -0.299 1.00 20.72 ? 323 GLU A OE2 1 ATOM 2242 N N . ALA A 1 300 ? 13.413 -5.896 1.983 1.00 15.64 ? 324 ALA A N 1 ATOM 2243 C CA . ALA A 1 300 ? 12.811 -5.467 3.241 1.00 15.10 ? 324 ALA A CA 1 ATOM 2244 C C . ALA A 1 300 ? 13.767 -4.573 4.011 1.00 14.84 ? 324 ALA A C 1 ATOM 2245 O O . ALA A 1 300 ? 14.993 -4.627 3.808 1.00 15.08 ? 324 ALA A O 1 ATOM 2246 C CB . ALA A 1 300 ? 12.416 -6.657 4.076 1.00 14.99 ? 324 ALA A CB 1 ATOM 2247 N N . VAL A 1 301 ? 13.194 -3.728 4.868 1.00 13.96 ? 325 VAL A N 1 ATOM 2248 C CA . VAL A 1 301 ? 13.956 -2.795 5.685 1.00 13.28 ? 325 VAL A CA 1 ATOM 2249 C C . VAL A 1 301 ? 13.371 -2.764 7.093 1.00 12.96 ? 325 VAL A C 1 ATOM 2250 O O . VAL A 1 301 ? 12.258 -3.239 7.308 1.00 12.73 ? 325 VAL A O 1 ATOM 2251 C CB . VAL A 1 301 ? 13.989 -1.348 5.080 1.00 13.82 ? 325 VAL A CB 1 ATOM 2252 C CG1 . VAL A 1 301 ? 14.678 -1.329 3.726 1.00 12.85 ? 325 VAL A CG1 1 ATOM 2253 C CG2 . VAL A 1 301 ? 12.584 -0.728 4.990 1.00 11.98 ? 325 VAL A CG2 1 ATOM 2254 N N . ALA A 1 302 ? 14.133 -2.232 8.048 1.00 12.80 ? 326 ALA A N 1 ATOM 2255 C CA . ALA A 1 302 ? 13.608 -1.972 9.390 1.00 12.35 ? 326 ALA A CA 1 ATOM 2256 C C . ALA A 1 302 ? 12.539 -0.888 9.306 1.00 12.18 ? 326 ALA A C 1 ATOM 2257 O O . ALA A 1 302 ? 12.745 0.166 8.677 1.00 11.76 ? 326 ALA A O 1 ATOM 2258 C CB . ALA A 1 302 ? 14.725 -1.555 10.344 1.00 12.26 ? 326 ALA A CB 1 ATOM 2259 N N . VAL A 1 303 ? 11.402 -1.169 9.938 1.00 11.45 ? 327 VAL A N 1 ATOM 2260 C CA . VAL A 1 303 ? 10.226 -0.311 9.902 1.00 11.60 ? 327 VAL A CA 1 ATOM 2261 C C . VAL A 1 303 ? 9.924 0.246 11.299 1.00 11.66 ? 327 VAL A C 1 ATOM 2262 O O . VAL A 1 303 ? 9.827 -0.515 12.267 1.00 11.91 ? 327 VAL A O 1 ATOM 2263 C CB . VAL A 1 303 ? 8.997 -1.104 9.370 1.00 11.17 ? 327 VAL A CB 1 ATOM 2264 C CG1 . VAL A 1 303 ? 7.734 -0.245 9.371 1.00 11.28 ? 327 VAL A CG1 1 ATOM 2265 C CG2 . VAL A 1 303 ? 9.274 -1.654 7.946 1.00 11.85 ? 327 VAL A CG2 1 ATOM 2266 N N . GLY A 1 304 ? 9.801 1.570 11.399 1.00 11.48 ? 328 GLY A N 1 ATOM 2267 C CA . GLY A 1 304 ? 9.376 2.217 12.647 1.00 11.29 ? 328 GLY A CA 1 ATOM 2268 C C . GLY A 1 304 ? 7.892 2.547 12.660 1.00 11.00 ? 328 GLY A C 1 ATOM 2269 O O . GLY A 1 304 ? 7.104 1.937 11.935 1.00 11.04 ? 328 GLY A O 1 ATOM 2270 N N . ARG A 1 305 ? 7.519 3.526 13.482 1.00 11.46 ? 329 ARG A N 1 ATOM 2271 C CA . ARG A 1 305 ? 6.127 3.968 13.612 1.00 11.51 ? 329 ARG A CA 1 ATOM 2272 C C . ARG A 1 305 ? 5.722 4.944 12.502 1.00 11.79 ? 329 ARG A C 1 ATOM 2273 O O . ARG A 1 305 ? 4.810 4.668 11.722 1.00 12.11 ? 329 ARG A O 1 ATOM 2274 C CB . ARG A 1 305 ? 5.897 4.564 15.005 1.00 11.49 ? 329 ARG A CB 1 ATOM 2275 C CG . ARG A 1 305 ? 6.135 3.541 16.135 1.00 11.58 ? 329 ARG A CG 1 ATOM 2276 C CD . ARG A 1 305 ? 5.605 4.027 17.478 1.00 10.95 ? 329 ARG A CD 1 ATOM 2277 N NE . ARG A 1 305 ? 6.210 5.297 17.878 1.00 9.18 ? 329 ARG A NE 1 ATOM 2278 C CZ . ARG A 1 305 ? 5.851 5.996 18.951 1.00 9.43 ? 329 ARG A CZ 1 ATOM 2279 N NH1 . ARG A 1 305 ? 4.892 5.548 19.753 1.00 7.73 ? 329 ARG A NH1 1 ATOM 2280 N NH2 . ARG A 1 305 ? 6.453 7.148 19.218 1.00 10.44 ? 329 ARG A NH2 1 ATOM 2281 N N . TYR A 1 306 ? 6.422 6.069 12.426 1.00 12.11 ? 330 TYR A N 1 ATOM 2282 C CA . TYR A 1 306 ? 6.183 7.089 11.402 1.00 12.30 ? 330 TYR A CA 1 ATOM 2283 C C . TYR A 1 306 ? 7.493 7.852 11.232 1.00 12.58 ? 330 TYR A C 1 ATOM 2284 O O . TYR A 1 306 ? 8.257 7.967 12.189 1.00 12.89 ? 330 TYR A O 1 ATOM 2285 C CB . TYR A 1 306 ? 5.028 8.028 11.793 1.00 11.93 ? 330 TYR A CB 1 ATOM 2286 C CG . TYR A 1 306 ? 5.126 8.584 13.202 1.00 11.16 ? 330 TYR A CG 1 ATOM 2287 C CD1 . TYR A 1 306 ? 4.661 7.854 14.291 1.00 11.08 ? 330 TYR A CD1 1 ATOM 2288 C CD2 . TYR A 1 306 ? 5.667 9.849 13.437 1.00 10.94 ? 330 TYR A CD2 1 ATOM 2289 C CE1 . TYR A 1 306 ? 4.755 8.355 15.580 1.00 10.52 ? 330 TYR A CE1 1 ATOM 2290 C CE2 . TYR A 1 306 ? 5.763 10.358 14.718 1.00 10.56 ? 330 TYR A CE2 1 ATOM 2291 C CZ . TYR A 1 306 ? 5.303 9.604 15.787 1.00 11.45 ? 330 TYR A CZ 1 ATOM 2292 O OH . TYR A 1 306 ? 5.410 10.107 17.066 1.00 12.23 ? 330 TYR A OH 1 ATOM 2293 N N . PRO A 1 307 ? 7.773 8.352 10.015 1.00 12.76 ? 331 PRO A N 1 ATOM 2294 C CA . PRO A 1 307 ? 9.093 8.962 9.763 1.00 12.99 ? 331 PRO A CA 1 ATOM 2295 C C . PRO A 1 307 ? 9.461 10.208 10.593 1.00 13.22 ? 331 PRO A C 1 ATOM 2296 O O . PRO A 1 307 ? 10.649 10.514 10.730 1.00 13.78 ? 331 PRO A O 1 ATOM 2297 C CB . PRO A 1 307 ? 9.058 9.281 8.259 1.00 13.08 ? 331 PRO A CB 1 ATOM 2298 C CG . PRO A 1 307 ? 7.614 9.341 7.900 1.00 12.36 ? 331 PRO A CG 1 ATOM 2299 C CD . PRO A 1 307 ? 6.922 8.359 8.807 1.00 12.33 ? 331 PRO A CD 1 ATOM 2300 N N . GLU A 1 308 ? 8.464 10.899 11.143 1.00 12.61 ? 332 GLU A N 1 ATOM 2301 C CA . GLU A 1 308 ? 8.665 12.086 11.966 1.00 12.34 ? 332 GLU A CA 1 ATOM 2302 C C . GLU A 1 308 ? 8.909 11.779 13.455 1.00 12.18 ? 332 GLU A C 1 ATOM 2303 O O . GLU A 1 308 ? 9.128 12.693 14.239 1.00 11.67 ? 332 GLU A O 1 ATOM 2304 C CB . GLU A 1 308 ? 7.465 13.044 11.834 1.00 12.55 ? 332 GLU A CB 1 ATOM 2305 C CG . GLU A 1 308 ? 7.054 13.416 10.391 1.00 12.59 ? 332 GLU A CG 1 ATOM 2306 C CD . GLU A 1 308 ? 6.101 12.420 9.721 1.00 12.71 ? 332 GLU A CD 1 ATOM 2307 O OE1 . GLU A 1 308 ? 5.720 11.395 10.336 1.00 10.95 ? 332 GLU A OE1 1 ATOM 2308 O OE2 . GLU A 1 308 ? 5.722 12.677 8.554 1.00 11.96 ? 332 GLU A OE2 1 ATOM 2309 N N . ASP A 1 309 ? 8.879 10.498 13.829 1.00 12.02 ? 333 ASP A N 1 ATOM 2310 C CA . ASP A 1 309 ? 9.017 10.043 15.230 1.00 12.30 ? 333 ASP A CA 1 ATOM 2311 C C . ASP A 1 309 ? 10.326 10.498 15.875 1.00 13.07 ? 333 ASP A C 1 ATOM 2312 O O . ASP A 1 309 ? 11.403 10.358 15.274 1.00 13.12 ? 333 ASP A O 1 ATOM 2313 C CB . ASP A 1 309 ? 8.929 8.509 15.257 1.00 12.19 ? 333 ASP A CB 1 ATOM 2314 C CG . ASP A 1 309 ? 8.666 7.921 16.651 1.00 11.35 ? 333 ASP A CG 1 ATOM 2315 O OD1 . ASP A 1 309 ? 8.493 8.662 17.644 1.00 9.95 ? 333 ASP A OD1 1 ATOM 2316 O OD2 . ASP A 1 309 ? 8.597 6.667 16.726 1.00 11.85 ? 333 ASP A OD2 1 ATOM 2317 N N . THR A 1 310 ? 10.237 11.037 17.092 1.00 13.39 ? 334 THR A N 1 ATOM 2318 C CA . THR A 1 310 ? 11.437 11.437 17.841 1.00 14.04 ? 334 THR A CA 1 ATOM 2319 C C . THR A 1 310 ? 11.570 10.719 19.184 1.00 13.73 ? 334 THR A C 1 ATOM 2320 O O . THR A 1 310 ? 12.486 11.020 19.956 1.00 14.08 ? 334 THR A O 1 ATOM 2321 C CB . THR A 1 310 ? 11.538 12.978 18.062 1.00 14.06 ? 334 THR A CB 1 ATOM 2322 O OG1 . THR A 1 310 ? 10.468 13.420 18.906 1.00 16.11 ? 334 THR A OG1 1 ATOM 2323 C CG2 . THR A 1 310 ? 11.501 13.739 16.735 1.00 15.30 ? 334 THR A CG2 1 ATOM 2324 N N . TYR A 1 311 ? 10.662 9.772 19.450 1.00 13.67 ? 335 TYR A N 1 ATOM 2325 C CA . TYR A 1 311 ? 10.683 8.971 20.672 1.00 13.35 ? 335 TYR A CA 1 ATOM 2326 C C . TYR A 1 311 ? 11.922 8.076 20.646 1.00 13.22 ? 335 TYR A C 1 ATOM 2327 O O . TYR A 1 311 ? 12.098 7.265 19.734 1.00 12.74 ? 335 TYR A O 1 ATOM 2328 C CB . TYR A 1 311 ? 9.386 8.151 20.795 1.00 13.61 ? 335 TYR A CB 1 ATOM 2329 C CG . TYR A 1 311 ? 9.224 7.368 22.083 1.00 13.40 ? 335 TYR A CG 1 ATOM 2330 C CD1 . TYR A 1 311 ? 9.443 7.972 23.322 1.00 13.23 ? 335 TYR A CD1 1 ATOM 2331 C CD2 . TYR A 1 311 ? 8.812 6.039 22.061 1.00 12.39 ? 335 TYR A CD2 1 ATOM 2332 C CE1 . TYR A 1 311 ? 9.287 7.270 24.503 1.00 12.92 ? 335 TYR A CE1 1 ATOM 2333 C CE2 . TYR A 1 311 ? 8.650 5.322 23.237 1.00 12.55 ? 335 TYR A CE2 1 ATOM 2334 C CZ . TYR A 1 311 ? 8.899 5.943 24.456 1.00 13.79 ? 335 TYR A CZ 1 ATOM 2335 O OH . TYR A 1 311 ? 8.750 5.256 25.633 1.00 12.97 ? 335 TYR A OH 1 ATOM 2336 N N . TYR A 1 312 ? 12.794 8.273 21.632 1.00 13.14 ? 336 TYR A N 1 ATOM 2337 C CA . TYR A 1 312 ? 14.119 7.646 21.666 1.00 13.61 ? 336 TYR A CA 1 ATOM 2338 C C . TYR A 1 312 ? 14.962 7.970 20.427 1.00 13.83 ? 336 TYR A C 1 ATOM 2339 O O . TYR A 1 312 ? 15.799 7.165 20.017 1.00 13.69 ? 336 TYR A O 1 ATOM 2340 C CB . TYR A 1 312 ? 14.005 6.122 21.885 1.00 13.50 ? 336 TYR A CB 1 ATOM 2341 C CG . TYR A 1 312 ? 13.797 5.730 23.330 1.00 13.53 ? 336 TYR A CG 1 ATOM 2342 C CD1 . TYR A 1 312 ? 14.894 5.456 24.157 1.00 13.97 ? 336 TYR A CD1 1 ATOM 2343 C CD2 . TYR A 1 312 ? 12.517 5.647 23.879 1.00 13.55 ? 336 TYR A CD2 1 ATOM 2344 C CE1 . TYR A 1 312 ? 14.719 5.099 25.484 1.00 14.03 ? 336 TYR A CE1 1 ATOM 2345 C CE2 . TYR A 1 312 ? 12.326 5.286 25.212 1.00 12.87 ? 336 TYR A CE2 1 ATOM 2346 C CZ . TYR A 1 312 ? 13.438 5.014 26.008 1.00 14.31 ? 336 TYR A CZ 1 ATOM 2347 O OH . TYR A 1 312 ? 13.282 4.657 27.325 1.00 13.65 ? 336 TYR A OH 1 ATOM 2348 N N . ASN A 1 313 ? 14.743 9.159 19.858 1.00 14.04 ? 337 ASN A N 1 ATOM 2349 C CA . ASN A 1 313 ? 15.386 9.609 18.599 1.00 14.76 ? 337 ASN A CA 1 ATOM 2350 C C . ASN A 1 313 ? 14.657 9.166 17.326 1.00 14.10 ? 337 ASN A C 1 ATOM 2351 O O . ASN A 1 313 ? 14.980 9.628 16.229 1.00 14.53 ? 337 ASN A O 1 ATOM 2352 C CB . ASN A 1 313 ? 16.865 9.179 18.499 1.00 15.34 ? 337 ASN A CB 1 ATOM 2353 C CG . ASN A 1 313 ? 17.769 9.897 19.486 1.00 17.90 ? 337 ASN A CG 1 ATOM 2354 O OD1 . ASN A 1 313 ? 17.640 11.099 19.719 1.00 21.87 ? 337 ASN A OD1 1 ATOM 2355 N ND2 . ASN A 1 313 ? 18.719 9.158 20.052 1.00 20.72 ? 337 ASN A ND2 1 ATOM 2356 N N . GLY A 1 314 ? 13.692 8.261 17.465 1.00 13.59 ? 338 GLY A N 1 ATOM 2357 C CA . GLY A 1 314 ? 12.951 7.753 16.315 1.00 12.53 ? 338 GLY A CA 1 ATOM 2358 C C . GLY A 1 314 ? 13.599 6.504 15.738 1.00 12.38 ? 338 GLY A C 1 ATOM 2359 O O . GLY A 1 314 ? 14.588 6.580 15.006 1.00 12.02 ? 338 GLY A O 1 ATOM 2360 N N . ASN A 1 315 ? 13.032 5.352 16.065 1.00 12.01 ? 339 ASN A N 1 ATOM 2361 C CA . ASN A 1 315 ? 13.658 4.071 15.738 1.00 11.83 ? 339 ASN A CA 1 ATOM 2362 C C . ASN A 1 315 ? 12.716 3.055 15.112 1.00 11.92 ? 339 ASN A C 1 ATOM 2363 O O . ASN A 1 315 ? 11.495 3.172 15.249 1.00 11.48 ? 339 ASN A O 1 ATOM 2364 C CB . ASN A 1 315 ? 14.251 3.447 16.998 1.00 11.33 ? 339 ASN A CB 1 ATOM 2365 C CG . ASN A 1 315 ? 15.362 4.274 17.592 1.00 11.53 ? 339 ASN A CG 1 ATOM 2366 O OD1 . ASN A 1 315 ? 16.471 4.345 17.046 1.00 12.27 ? 339 ASN A OD1 1 ATOM 2367 N ND2 . ASN A 1 315 ? 15.075 4.912 18.713 1.00 9.35 ? 339 ASN A ND2 1 ATOM 2368 N N . PRO A 1 316 ? 13.287 2.036 14.434 1.00 12.03 ? 340 PRO A N 1 ATOM 2369 C CA . PRO A 1 316 ? 12.530 0.836 14.091 1.00 11.80 ? 340 PRO A CA 1 ATOM 2370 C C . PRO A 1 316 ? 11.869 0.229 15.328 1.00 11.44 ? 340 PRO A C 1 ATOM 2371 O O . PRO A 1 316 ? 12.459 0.261 16.419 1.00 11.25 ? 340 PRO A O 1 ATOM 2372 C CB . PRO A 1 316 ? 13.602 -0.124 13.589 1.00 11.94 ? 340 PRO A CB 1 ATOM 2373 C CG . PRO A 1 316 ? 14.733 0.714 13.167 1.00 12.23 ? 340 PRO A CG 1 ATOM 2374 C CD . PRO A 1 316 ? 14.675 1.989 13.929 1.00 12.12 ? 340 PRO A CD 1 ATOM 2375 N N . TRP A 1 317 ? 10.651 -0.290 15.160 1.00 10.58 ? 341 TRP A N 1 ATOM 2376 C CA . TRP A 1 317 ? 9.976 -1.057 16.216 1.00 10.49 ? 341 TRP A CA 1 ATOM 2377 C C . TRP A 1 317 ? 9.767 -2.506 15.766 1.00 10.11 ? 341 TRP A C 1 ATOM 2378 O O . TRP A 1 317 ? 9.390 -2.764 14.614 1.00 9.59 ? 341 TRP A O 1 ATOM 2379 C CB . TRP A 1 317 ? 8.609 -0.450 16.568 1.00 10.59 ? 341 TRP A CB 1 ATOM 2380 C CG . TRP A 1 317 ? 8.629 0.791 17.424 1.00 10.69 ? 341 TRP A CG 1 ATOM 2381 C CD1 . TRP A 1 317 ? 9.492 1.842 17.334 1.00 10.69 ? 341 TRP A CD1 1 ATOM 2382 C CD2 . TRP A 1 317 ? 7.707 1.116 18.482 1.00 10.26 ? 341 TRP A CD2 1 ATOM 2383 N NE1 . TRP A 1 317 ? 9.181 2.799 18.281 1.00 9.99 ? 341 TRP A NE1 1 ATOM 2384 C CE2 . TRP A 1 317 ? 8.093 2.375 19.002 1.00 11.41 ? 341 TRP A CE2 1 ATOM 2385 C CE3 . TRP A 1 317 ? 6.596 0.461 19.044 1.00 11.22 ? 341 TRP A CE3 1 ATOM 2386 C CZ2 . TRP A 1 317 ? 7.402 3.002 20.055 1.00 10.10 ? 341 TRP A CZ2 1 ATOM 2387 C CZ3 . TRP A 1 317 ? 5.910 1.080 20.103 1.00 10.46 ? 341 TRP A CZ3 1 ATOM 2388 C CH2 . TRP A 1 317 ? 6.310 2.345 20.585 1.00 10.70 ? 341 TRP A CH2 1 ATOM 2389 N N . PHE A 1 318 ? 9.967 -3.448 16.679 1.00 9.91 ? 342 PHE A N 1 ATOM 2390 C CA . PHE A 1 318 ? 9.731 -4.861 16.354 1.00 10.22 ? 342 PHE A CA 1 ATOM 2391 C C . PHE A 1 318 ? 8.308 -5.085 15.843 1.00 9.76 ? 342 PHE A C 1 ATOM 2392 O O . PHE A 1 318 ? 8.111 -5.639 14.762 1.00 9.62 ? 342 PHE A O 1 ATOM 2393 C CB . PHE A 1 318 ? 10.017 -5.768 17.555 1.00 10.32 ? 342 PHE A CB 1 ATOM 2394 C CG . PHE A 1 318 ? 11.473 -5.893 17.877 1.00 10.98 ? 342 PHE A CG 1 ATOM 2395 C CD1 . PHE A 1 318 ? 12.293 -6.737 17.127 1.00 10.92 ? 342 PHE A CD1 1 ATOM 2396 C CD2 . PHE A 1 318 ? 12.030 -5.160 18.929 1.00 12.02 ? 342 PHE A CD2 1 ATOM 2397 C CE1 . PHE A 1 318 ? 13.650 -6.858 17.420 1.00 11.77 ? 342 PHE A CE1 1 ATOM 2398 C CE2 . PHE A 1 318 ? 13.391 -5.266 19.234 1.00 11.11 ? 342 PHE A CE2 1 ATOM 2399 C CZ . PHE A 1 318 ? 14.201 -6.116 18.484 1.00 11.65 ? 342 PHE A CZ 1 ATOM 2400 N N . LEU A 1 319 ? 7.320 -4.617 16.596 1.00 9.82 ? 343 LEU A N 1 ATOM 2401 C CA . LEU A 1 319 ? 5.924 -4.836 16.206 1.00 9.78 ? 343 LEU A CA 1 ATOM 2402 C C . LEU A 1 319 ? 5.555 -4.187 14.861 1.00 9.98 ? 343 LEU A C 1 ATOM 2403 O O . LEU A 1 319 ? 4.686 -4.703 14.154 1.00 10.40 ? 343 LEU A O 1 ATOM 2404 C CB . LEU A 1 319 ? 4.961 -4.412 17.325 1.00 9.34 ? 343 LEU A CB 1 ATOM 2405 C CG . LEU A 1 319 ? 4.732 -2.928 17.629 1.00 9.77 ? 343 LEU A CG 1 ATOM 2406 C CD1 . LEU A 1 319 ? 3.521 -2.413 16.834 1.00 9.88 ? 343 LEU A CD1 1 ATOM 2407 C CD2 . LEU A 1 319 ? 4.498 -2.749 19.122 1.00 10.22 ? 343 LEU A CD2 1 ATOM 2408 N N . CYS A 1 320 ? 6.193 -3.067 14.518 1.00 9.94 ? 344 CYS A N 1 ATOM 2409 C CA . CYS A 1 320 ? 5.932 -2.402 13.232 1.00 10.32 ? 344 CYS A CA 1 ATOM 2410 C C . CYS A 1 320 ? 6.587 -3.130 12.054 1.00 10.65 ? 344 CYS A C 1 ATOM 2411 O O . CYS A 1 320 ? 6.007 -3.215 10.961 1.00 10.54 ? 344 CYS A O 1 ATOM 2412 C CB . CYS A 1 320 ? 6.363 -0.926 13.259 1.00 10.34 ? 344 CYS A CB 1 ATOM 2413 S SG . CYS A 1 320 ? 5.443 0.133 14.442 1.00 10.97 ? 344 CYS A SG 1 ATOM 2414 N N . THR A 1 321 ? 7.797 -3.646 12.270 1.00 10.28 ? 345 THR A N 1 ATOM 2415 C CA . THR A 1 321 ? 8.462 -4.466 11.259 1.00 10.91 ? 345 THR A CA 1 ATOM 2416 C C . THR A 1 321 ? 7.686 -5.775 11.034 1.00 10.52 ? 345 THR A C 1 ATOM 2417 O O . THR A 1 321 ? 7.548 -6.242 9.903 1.00 10.57 ? 345 THR A O 1 ATOM 2418 C CB . THR A 1 321 ? 9.932 -4.758 11.646 1.00 10.95 ? 345 THR A CB 1 ATOM 2419 O OG1 . THR A 1 321 ? 10.601 -3.523 11.910 1.00 12.20 ? 345 THR A OG1 1 ATOM 2420 C CG2 . THR A 1 321 ? 10.655 -5.487 10.519 1.00 11.57 ? 345 THR A CG2 1 ATOM 2421 N N . LEU A 1 322 ? 7.156 -6.349 12.112 1.00 10.36 ? 346 LEU A N 1 ATOM 2422 C CA . LEU A 1 322 ? 6.354 -7.571 12.003 1.00 10.21 ? 346 LEU A CA 1 ATOM 2423 C C . LEU A 1 322 ? 5.018 -7.328 11.297 1.00 10.02 ? 346 LEU A C 1 ATOM 2424 O O . LEU A 1 322 ? 4.561 -8.179 10.536 1.00 9.55 ? 346 LEU A O 1 ATOM 2425 C CB . LEU A 1 322 ? 6.127 -8.186 13.378 1.00 10.11 ? 346 LEU A CB 1 ATOM 2426 C CG . LEU A 1 322 ? 7.408 -8.814 13.946 1.00 9.90 ? 346 LEU A CG 1 ATOM 2427 C CD1 . LEU A 1 322 ? 7.288 -8.979 15.457 1.00 9.18 ? 346 LEU A CD1 1 ATOM 2428 C CD2 . LEU A 1 322 ? 7.699 -10.150 13.251 1.00 10.51 ? 346 LEU A CD2 1 ATOM 2429 N N . ALA A 1 323 ? 4.418 -6.161 11.540 1.00 10.38 ? 347 ALA A N 1 ATOM 2430 C CA . ALA A 1 323 ? 3.181 -5.762 10.852 1.00 10.54 ? 347 ALA A CA 1 ATOM 2431 C C . ALA A 1 323 ? 3.368 -5.680 9.333 1.00 10.73 ? 347 ALA A C 1 ATOM 2432 O O . ALA A 1 323 ? 2.492 -6.098 8.580 1.00 10.77 ? 347 ALA A O 1 ATOM 2433 C CB . ALA A 1 323 ? 2.660 -4.429 11.405 1.00 11.07 ? 347 ALA A CB 1 ATOM 2434 N N . ALA A 1 324 ? 4.504 -5.142 8.888 1.00 10.91 ? 348 ALA A N 1 ATOM 2435 C CA . ALA A 1 324 ? 4.835 -5.113 7.456 1.00 10.95 ? 348 ALA A CA 1 ATOM 2436 C C . ALA A 1 324 ? 4.868 -6.531 6.859 1.00 11.16 ? 348 ALA A C 1 ATOM 2437 O O . ALA A 1 324 ? 4.318 -6.770 5.778 1.00 10.91 ? 348 ALA A O 1 ATOM 2438 C CB . ALA A 1 324 ? 6.153 -4.403 7.225 1.00 11.18 ? 348 ALA A CB 1 ATOM 2439 N N . ALA A 1 325 ? 5.494 -7.468 7.575 1.00 11.22 ? 349 ALA A N 1 ATOM 2440 C CA . ALA A 1 325 ? 5.464 -8.878 7.191 1.00 11.62 ? 349 ALA A CA 1 ATOM 2441 C C . ALA A 1 325 ? 4.051 -9.484 7.216 1.00 11.37 ? 349 ALA A C 1 ATOM 2442 O O . ALA A 1 325 ? 3.644 -10.146 6.261 1.00 11.81 ? 349 ALA A O 1 ATOM 2443 C CB . ALA A 1 325 ? 6.416 -9.694 8.063 1.00 11.55 ? 349 ALA A CB 1 ATOM 2444 N N . GLU A 1 326 ? 3.309 -9.251 8.298 1.00 11.10 ? 350 GLU A N 1 ATOM 2445 C CA . GLU A 1 326 ? 1.985 -9.854 8.477 1.00 10.75 ? 350 GLU A CA 1 ATOM 2446 C C . GLU A 1 326 ? 0.968 -9.466 7.395 1.00 10.43 ? 350 GLU A C 1 ATOM 2447 O O . GLU A 1 326 ? 0.211 -10.313 6.931 1.00 9.88 ? 350 GLU A O 1 ATOM 2448 C CB . GLU A 1 326 ? 1.434 -9.565 9.880 1.00 11.04 ? 350 GLU A CB 1 ATOM 2449 C CG . GLU A 1 326 ? 0.015 -10.101 10.129 1.00 11.34 ? 350 GLU A CG 1 ATOM 2450 C CD . GLU A 1 326 ? -0.296 -10.296 11.604 1.00 12.52 ? 350 GLU A CD 1 ATOM 2451 O OE1 . GLU A 1 326 ? 0.653 -10.264 12.421 1.00 13.48 ? 350 GLU A OE1 1 ATOM 2452 O OE2 . GLU A 1 326 ? -1.484 -10.496 11.947 1.00 11.68 ? 350 GLU A OE2 1 ATOM 2453 N N . GLN A 1 327 ? 0.964 -8.205 6.971 1.00 11.10 ? 351 GLN A N 1 ATOM 2454 C CA . GLN A 1 327 ? 0.011 -7.780 5.932 1.00 11.43 ? 351 GLN A CA 1 ATOM 2455 C C . GLN A 1 327 ? 0.245 -8.556 4.646 1.00 11.71 ? 351 GLN A C 1 ATOM 2456 O O . GLN A 1 327 ? -0.709 -8.965 3.965 1.00 11.79 ? 351 GLN A O 1 ATOM 2457 C CB . GLN A 1 327 ? 0.127 -6.283 5.647 1.00 11.49 ? 351 GLN A CB 1 ATOM 2458 C CG . GLN A 1 327 ? -1.068 -5.751 4.853 1.00 12.16 ? 351 GLN A CG 1 ATOM 2459 C CD . GLN A 1 327 ? -0.778 -4.414 4.221 1.00 12.78 ? 351 GLN A CD 1 ATOM 2460 O OE1 . GLN A 1 327 ? -0.216 -3.522 4.862 1.00 12.79 ? 351 GLN A OE1 1 ATOM 2461 N NE2 . GLN A 1 327 ? -1.148 -4.267 2.955 1.00 14.13 ? 351 GLN A NE2 1 ATOM 2462 N N . LEU A 1 328 ? 1.520 -8.746 4.321 1.00 12.00 ? 352 LEU A N 1 ATOM 2463 C CA . LEU A 1 328 ? 1.919 -9.527 3.140 1.00 12.30 ? 352 LEU A CA 1 ATOM 2464 C C . LEU A 1 328 ? 1.537 -11.011 3.252 1.00 12.30 ? 352 LEU A C 1 ATOM 2465 O O . LEU A 1 328 ? 0.986 -11.576 2.306 1.00 12.30 ? 352 LEU A O 1 ATOM 2466 C CB . LEU A 1 328 ? 3.409 -9.345 2.840 1.00 12.43 ? 352 LEU A CB 1 ATOM 2467 C CG . LEU A 1 328 ? 3.874 -7.902 2.593 1.00 13.15 ? 352 LEU A CG 1 ATOM 2468 C CD1 . LEU A 1 328 ? 5.368 -7.849 2.426 1.00 13.73 ? 352 LEU A CD1 1 ATOM 2469 C CD2 . LEU A 1 328 ? 3.159 -7.264 1.396 1.00 14.21 ? 352 LEU A CD2 1 ATOM 2470 N N . TYR A 1 329 ? 1.806 -11.638 4.403 1.00 12.01 ? 353 TYR A N 1 ATOM 2471 C CA . TYR A 1 329 ? 1.341 -13.011 4.643 1.00 11.93 ? 353 TYR A CA 1 ATOM 2472 C C . TYR A 1 329 ? -0.190 -13.127 4.510 1.00 12.05 ? 353 TYR A C 1 ATOM 2473 O O . TYR A 1 329 ? -0.697 -14.099 3.939 1.00 11.40 ? 353 TYR A O 1 ATOM 2474 C CB . TYR A 1 329 ? 1.813 -13.534 6.012 1.00 12.18 ? 353 TYR A CB 1 ATOM 2475 C CG . TYR A 1 329 ? 3.326 -13.680 6.171 1.00 12.70 ? 353 TYR A CG 1 ATOM 2476 C CD1 . TYR A 1 329 ? 4.109 -14.247 5.159 1.00 13.72 ? 353 TYR A CD1 1 ATOM 2477 C CD2 . TYR A 1 329 ? 3.968 -13.272 7.347 1.00 12.90 ? 353 TYR A CD2 1 ATOM 2478 C CE1 . TYR A 1 329 ? 5.496 -14.383 5.304 1.00 13.70 ? 353 TYR A CE1 1 ATOM 2479 C CE2 . TYR A 1 329 ? 5.361 -13.414 7.505 1.00 13.51 ? 353 TYR A CE2 1 ATOM 2480 C CZ . TYR A 1 329 ? 6.113 -13.970 6.480 1.00 13.87 ? 353 TYR A CZ 1 ATOM 2481 O OH . TYR A 1 329 ? 7.485 -14.104 6.616 1.00 13.61 ? 353 TYR A OH 1 ATOM 2482 N N . ASP A 1 330 ? -0.911 -12.121 5.015 1.00 11.88 ? 354 ASP A N 1 ATOM 2483 C CA . ASP A 1 330 ? -2.379 -12.043 4.891 1.00 12.28 ? 354 ASP A CA 1 ATOM 2484 C C . ASP A 1 330 ? -2.804 -11.941 3.424 1.00 12.12 ? 354 ASP A C 1 ATOM 2485 O O . ASP A 1 330 ? -3.728 -12.629 2.988 1.00 12.86 ? 354 ASP A O 1 ATOM 2486 C CB . ASP A 1 330 ? -2.937 -10.825 5.659 1.00 11.59 ? 354 ASP A CB 1 ATOM 2487 C CG . ASP A 1 330 ? -2.940 -11.008 7.178 1.00 12.58 ? 354 ASP A CG 1 ATOM 2488 O OD1 . ASP A 1 330 ? -2.708 -12.137 7.661 1.00 11.58 ? 354 ASP A OD1 1 ATOM 2489 O OD2 . ASP A 1 330 ? -3.189 -10.003 7.895 1.00 11.95 ? 354 ASP A OD2 1 ATOM 2490 N N . ALA A 1 331 ? -2.133 -11.078 2.666 1.00 12.76 ? 355 ALA A N 1 ATOM 2491 C CA . ALA A 1 331 ? -2.401 -10.961 1.219 1.00 12.80 ? 355 ALA A CA 1 ATOM 2492 C C . ALA A 1 331 ? -2.182 -12.283 0.476 1.00 12.96 ? 355 ALA A C 1 ATOM 2493 O O . ALA A 1 331 ? -2.980 -12.662 -0.392 1.00 12.54 ? 355 ALA A O 1 ATOM 2494 C CB . ALA A 1 331 ? -1.554 -9.851 0.599 1.00 13.17 ? 355 ALA A CB 1 ATOM 2495 N N . LEU A 1 332 ? -1.096 -12.977 0.813 1.00 12.90 ? 356 LEU A N 1 ATOM 2496 C CA . LEU A 1 332 ? -0.782 -14.276 0.208 1.00 13.13 ? 356 LEU A CA 1 ATOM 2497 C C . LEU A 1 332 ? -1.881 -15.296 0.443 1.00 13.18 ? 356 LEU A C 1 ATOM 2498 O O . LEU A 1 332 ? -2.264 -16.018 -0.474 1.00 13.51 ? 356 LEU A O 1 ATOM 2499 C CB . LEU A 1 332 ? 0.571 -14.804 0.709 1.00 12.67 ? 356 LEU A CB 1 ATOM 2500 C CG . LEU A 1 332 ? 1.802 -14.074 0.171 1.00 13.59 ? 356 LEU A CG 1 ATOM 2501 C CD1 . LEU A 1 332 ? 3.028 -14.345 1.042 1.00 14.71 ? 356 LEU A CD1 1 ATOM 2502 C CD2 . LEU A 1 332 ? 2.073 -14.413 -1.301 1.00 12.16 ? 356 LEU A CD2 1 ATOM 2503 N N . TYR A 1 333 ? -2.394 -15.338 1.669 1.00 13.20 ? 357 TYR A N 1 ATOM 2504 C CA . TYR A 1 333 ? -3.481 -16.236 2.028 1.00 13.81 ? 357 TYR A CA 1 ATOM 2505 C C . TYR A 1 333 ? -4.750 -15.952 1.214 1.00 14.11 ? 357 TYR A C 1 ATOM 2506 O O . TYR A 1 333 ? -5.414 -16.883 0.729 1.00 13.69 ? 357 TYR A O 1 ATOM 2507 C CB . TYR A 1 333 ? -3.782 -16.136 3.530 1.00 14.14 ? 357 TYR A CB 1 ATOM 2508 C CG . TYR A 1 333 ? -4.946 -16.981 3.965 1.00 15.18 ? 357 TYR A CG 1 ATOM 2509 C CD1 . TYR A 1 333 ? -4.756 -18.297 4.412 1.00 15.59 ? 357 TYR A CD1 1 ATOM 2510 C CD2 . TYR A 1 333 ? -6.248 -16.482 3.906 1.00 16.00 ? 357 TYR A CD2 1 ATOM 2511 C CE1 . TYR A 1 333 ? -5.843 -19.084 4.804 1.00 17.07 ? 357 TYR A CE1 1 ATOM 2512 C CE2 . TYR A 1 333 ? -7.329 -17.257 4.283 1.00 16.22 ? 357 TYR A CE2 1 ATOM 2513 C CZ . TYR A 1 333 ? -7.126 -18.552 4.732 1.00 16.32 ? 357 TYR A CZ 1 ATOM 2514 O OH . TYR A 1 333 ? -8.215 -19.300 5.111 1.00 16.87 ? 357 TYR A OH 1 ATOM 2515 N N . GLN A 1 334 ? -5.088 -14.670 1.098 1.00 14.31 ? 358 GLN A N 1 ATOM 2516 C CA . GLN A 1 334 ? -6.272 -14.233 0.350 1.00 14.98 ? 358 GLN A CA 1 ATOM 2517 C C . GLN A 1 334 ? -6.136 -14.530 -1.136 1.00 15.04 ? 358 GLN A C 1 ATOM 2518 O O . GLN A 1 334 ? -7.056 -15.083 -1.734 1.00 15.78 ? 358 GLN A O 1 ATOM 2519 C CB . GLN A 1 334 ? -6.527 -12.742 0.564 1.00 14.95 ? 358 GLN A CB 1 ATOM 2520 C CG . GLN A 1 334 ? -6.899 -12.384 1.989 1.00 15.41 ? 358 GLN A CG 1 ATOM 2521 C CD . GLN A 1 334 ? -7.195 -10.912 2.153 1.00 16.36 ? 358 GLN A CD 1 ATOM 2522 O OE1 . GLN A 1 334 ? -6.289 -10.082 2.116 1.00 15.30 ? 358 GLN A OE1 1 ATOM 2523 N NE2 . GLN A 1 334 ? -8.469 -10.580 2.349 1.00 17.74 ? 358 GLN A NE2 1 ATOM 2524 N N . TRP A 1 335 ? -4.998 -14.168 -1.727 1.00 15.50 ? 359 TRP A N 1 ATOM 2525 C CA . TRP A 1 335 ? -4.756 -14.456 -3.147 1.00 16.24 ? 359 TRP A CA 1 ATOM 2526 C C . TRP A 1 335 ? -4.888 -15.957 -3.457 1.00 16.90 ? 359 TRP A C 1 ATOM 2527 O O . TRP A 1 335 ? -5.485 -16.342 -4.471 1.00 17.17 ? 359 TRP A O 1 ATOM 2528 C CB . TRP A 1 335 ? -3.387 -13.952 -3.599 1.00 15.90 ? 359 TRP A CB 1 ATOM 2529 C CG . TRP A 1 335 ? -3.214 -12.455 -3.641 1.00 15.97 ? 359 TRP A CG 1 ATOM 2530 C CD1 . TRP A 1 335 ? -4.173 -11.515 -3.891 1.00 15.75 ? 359 TRP A CD1 1 ATOM 2531 C CD2 . TRP A 1 335 ? -1.985 -11.737 -3.470 1.00 15.87 ? 359 TRP A CD2 1 ATOM 2532 N NE1 . TRP A 1 335 ? -3.621 -10.261 -3.864 1.00 16.14 ? 359 TRP A NE1 1 ATOM 2533 C CE2 . TRP A 1 335 ? -2.279 -10.367 -3.610 1.00 16.10 ? 359 TRP A CE2 1 ATOM 2534 C CE3 . TRP A 1 335 ? -0.663 -12.121 -3.199 1.00 16.34 ? 359 TRP A CE3 1 ATOM 2535 C CZ2 . TRP A 1 335 ? -1.302 -9.374 -3.487 1.00 16.60 ? 359 TRP A CZ2 1 ATOM 2536 C CZ3 . TRP A 1 335 ? 0.314 -11.132 -3.083 1.00 16.32 ? 359 TRP A CZ3 1 ATOM 2537 C CH2 . TRP A 1 335 ? -0.013 -9.775 -3.231 1.00 15.75 ? 359 TRP A CH2 1 ATOM 2538 N N . ASP A 1 336 ? -4.335 -16.795 -2.580 1.00 17.34 ? 360 ASP A N 1 ATOM 2539 C CA . ASP A 1 336 ? -4.441 -18.252 -2.719 1.00 18.13 ? 360 ASP A CA 1 ATOM 2540 C C . ASP A 1 336 ? -5.870 -18.781 -2.555 1.00 18.47 ? 360 ASP A C 1 ATOM 2541 O O . ASP A 1 336 ? -6.304 -19.654 -3.316 1.00 18.49 ? 360 ASP A O 1 ATOM 2542 C CB . ASP A 1 336 ? -3.481 -18.979 -1.765 1.00 18.05 ? 360 ASP A CB 1 ATOM 2543 C CG . ASP A 1 336 ? -3.613 -20.495 -1.852 1.00 19.14 ? 360 ASP A CG 1 ATOM 2544 O OD1 . ASP A 1 336 ? -2.898 -21.104 -2.675 1.00 18.79 ? 360 ASP A OD1 1 ATOM 2545 O OD2 . ASP A 1 336 ? -4.457 -21.070 -1.127 1.00 20.03 ? 360 ASP A OD2 1 ATOM 2546 N N . LYS A 1 337 ? -6.598 -18.265 -1.568 1.00 18.79 ? 361 LYS A N 1 ATOM 2547 C CA . LYS A 1 337 ? -7.988 -18.661 -1.360 1.00 19.52 ? 361 LYS A CA 1 ATOM 2548 C C . LYS A 1 337 ? -8.874 -18.278 -2.560 1.00 20.01 ? 361 LYS A C 1 ATOM 2549 O O . LYS A 1 337 ? -9.717 -19.067 -2.991 1.00 20.02 ? 361 LYS A O 1 ATOM 2550 C CB . LYS A 1 337 ? -8.535 -18.055 -0.069 1.00 19.33 ? 361 LYS A CB 1 ATOM 2551 C CG . LYS A 1 337 ? -9.831 -18.666 0.403 1.00 19.94 ? 361 LYS A CG 1 ATOM 2552 C CD . LYS A 1 337 ? -10.293 -18.030 1.704 1.00 21.00 ? 361 LYS A CD 1 ATOM 2553 C CE . LYS A 1 337 ? -11.372 -18.850 2.380 1.00 21.36 ? 361 LYS A CE 1 ATOM 2554 N NZ . LYS A 1 337 ? -10.874 -20.186 2.827 1.00 22.41 ? 361 LYS A NZ 1 ATOM 2555 N N . GLN A 1 338 ? -8.660 -17.072 -3.085 1.00 20.69 ? 362 GLN A N 1 ATOM 2556 C CA . GLN A 1 338 ? -9.358 -16.561 -4.274 1.00 21.43 ? 362 GLN A CA 1 ATOM 2557 C C . GLN A 1 338 ? -9.010 -17.311 -5.548 1.00 21.51 ? 362 GLN A C 1 ATOM 2558 O O . GLN A 1 338 ? -9.839 -17.435 -6.455 1.00 21.65 ? 362 GLN A O 1 ATOM 2559 C CB . GLN A 1 338 ? -8.946 -15.121 -4.523 1.00 21.59 ? 362 GLN A CB 1 ATOM 2560 C CG . GLN A 1 338 ? -9.669 -14.083 -3.736 1.00 22.98 ? 362 GLN A CG 1 ATOM 2561 C CD . GLN A 1 338 ? -9.510 -12.723 -4.367 1.00 23.32 ? 362 GLN A CD 1 ATOM 2562 O OE1 . GLN A 1 338 ? -10.439 -11.923 -4.359 1.00 26.19 ? 362 GLN A OE1 1 ATOM 2563 N NE2 . GLN A 1 338 ? -8.341 -12.465 -4.950 1.00 23.05 ? 362 GLN A NE2 1 ATOM 2564 N N . GLY A 1 339 ? -7.761 -17.760 -5.627 1.00 21.62 ? 363 GLY A N 1 ATOM 2565 C CA . GLY A 1 339 ? -7.233 -18.398 -6.822 1.00 21.73 ? 363 GLY A CA 1 ATOM 2566 C C . GLY A 1 339 ? -6.784 -17.401 -7.869 1.00 21.74 ? 363 GLY A C 1 ATOM 2567 O O . GLY A 1 339 ? -6.671 -17.744 -9.048 1.00 21.77 ? 363 GLY A O 1 ATOM 2568 N N . SER A 1 340 ? -6.523 -16.165 -7.443 1.00 21.39 ? 364 SER A N 1 ATOM 2569 C CA . SER A 1 340 ? -6.089 -15.100 -8.352 1.00 21.35 ? 364 SER A CA 1 ATOM 2570 C C . SER A 1 340 ? -5.502 -13.896 -7.621 1.00 21.05 ? 364 SER A C 1 ATOM 2571 O O . SER A 1 340 ? -5.692 -13.722 -6.416 1.00 20.92 ? 364 SER A O 1 ATOM 2572 C CB . SER A 1 340 ? -7.241 -14.636 -9.261 1.00 21.37 ? 364 SER A CB 1 ATOM 2573 O OG . SER A 1 340 ? -8.329 -14.124 -8.505 1.00 22.23 ? 364 SER A OG 1 ATOM 2574 N N . LEU A 1 341 ? -4.812 -13.065 -8.390 1.00 20.89 ? 365 LEU A N 1 ATOM 2575 C CA . LEU A 1 341 ? -4.168 -11.851 -7.920 1.00 20.80 ? 365 LEU A CA 1 ATOM 2576 C C . LEU A 1 341 ? -4.395 -10.758 -8.973 1.00 20.66 ? 365 LEU A C 1 ATOM 2577 O O . LEU A 1 341 ? -4.380 -11.043 -10.177 1.00 20.46 ? 365 LEU A O 1 ATOM 2578 C CB . LEU A 1 341 ? -2.680 -12.150 -7.746 1.00 21.00 ? 365 LEU A CB 1 ATOM 2579 C CG . LEU A 1 341 ? -1.525 -11.170 -7.624 1.00 21.21 ? 365 LEU A CG 1 ATOM 2580 C CD1 . LEU A 1 341 ? -0.317 -12.010 -7.248 1.00 21.21 ? 365 LEU A CD1 1 ATOM 2581 C CD2 . LEU A 1 341 ? -1.260 -10.408 -8.910 1.00 20.99 ? 365 LEU A CD2 1 ATOM 2582 N N . GLU A 1 342 ? -4.614 -9.522 -8.524 1.00 20.30 ? 366 GLU A N 1 ATOM 2583 C CA . GLU A 1 342 ? -4.817 -8.388 -9.436 1.00 20.31 ? 366 GLU A CA 1 ATOM 2584 C C . GLU A 1 342 ? -3.794 -7.269 -9.229 1.00 19.74 ? 366 GLU A C 1 ATOM 2585 O O . GLU A 1 342 ? -3.471 -6.901 -8.090 1.00 19.81 ? 366 GLU A O 1 ATOM 2586 C CB . GLU A 1 342 ? -6.241 -7.829 -9.314 1.00 20.36 ? 366 GLU A CB 1 ATOM 2587 C CG . GLU A 1 342 ? -6.625 -6.865 -10.445 1.00 21.27 ? 366 GLU A CG 1 ATOM 2588 C CD . GLU A 1 342 ? -7.964 -6.170 -10.244 1.00 21.46 ? 366 GLU A CD 1 ATOM 2589 O OE1 . GLU A 1 342 ? -8.577 -6.305 -9.161 1.00 23.33 ? 366 GLU A OE1 1 ATOM 2590 O OE2 . GLU A 1 342 ? -8.406 -5.475 -11.185 1.00 23.53 ? 366 GLU A OE2 1 ATOM 2591 N N . VAL A 1 343 ? -3.282 -6.751 -10.342 1.00 18.79 ? 367 VAL A N 1 ATOM 2592 C CA . VAL A 1 343 ? -2.436 -5.565 -10.358 1.00 18.45 ? 367 VAL A CA 1 ATOM 2593 C C . VAL A 1 343 ? -3.257 -4.399 -10.926 1.00 18.23 ? 367 VAL A C 1 ATOM 2594 O O . VAL A 1 343 ? -3.768 -4.482 -12.046 1.00 18.39 ? 367 VAL A O 1 ATOM 2595 C CB . VAL A 1 343 ? -1.159 -5.788 -11.215 1.00 18.52 ? 367 VAL A CB 1 ATOM 2596 C CG1 . VAL A 1 343 ? -0.258 -4.571 -11.178 1.00 18.47 ? 367 VAL A CG1 1 ATOM 2597 C CG2 . VAL A 1 343 ? -0.398 -7.028 -10.750 1.00 18.50 ? 367 VAL A CG2 1 ATOM 2598 N N . THR A 1 344 ? -3.404 -3.330 -10.146 1.00 17.65 ? 368 THR A N 1 ATOM 2599 C CA . THR A 1 344 ? -4.190 -2.165 -10.569 1.00 16.98 ? 368 THR A CA 1 ATOM 2600 C C . THR A 1 344 ? -3.286 -0.949 -10.693 1.00 16.83 ? 368 THR A C 1 ATOM 2601 O O . THR A 1 344 ? -2.115 -1.012 -10.339 1.00 16.81 ? 368 THR A O 1 ATOM 2602 C CB . THR A 1 344 ? -5.342 -1.844 -9.582 1.00 17.22 ? 368 THR A CB 1 ATOM 2603 O OG1 . THR A 1 344 ? -4.808 -1.272 -8.381 1.00 16.45 ? 368 THR A OG1 1 ATOM 2604 C CG2 . THR A 1 344 ? -6.167 -3.098 -9.244 1.00 16.44 ? 368 THR A CG2 1 ATOM 2605 N N . ASP A 1 345 ? -3.822 0.157 -11.205 1.00 16.55 ? 369 ASP A N 1 ATOM 2606 C CA . ASP A 1 345 ? -3.063 1.404 -11.285 1.00 16.41 ? 369 ASP A CA 1 ATOM 2607 C C . ASP A 1 345 ? -2.631 1.862 -9.888 1.00 16.21 ? 369 ASP A C 1 ATOM 2608 O O . ASP A 1 345 ? -1.482 2.278 -9.688 1.00 15.83 ? 369 ASP A O 1 ATOM 2609 C CB . ASP A 1 345 ? -3.889 2.482 -11.982 1.00 16.76 ? 369 ASP A CB 1 ATOM 2610 C CG . ASP A 1 345 ? -4.262 2.090 -13.407 1.00 18.23 ? 369 ASP A CG 1 ATOM 2611 O OD1 . ASP A 1 345 ? -3.342 1.966 -14.246 1.00 18.19 ? 369 ASP A OD1 1 ATOM 2612 O OD2 . ASP A 1 345 ? -5.467 1.886 -13.675 1.00 19.97 ? 369 ASP A OD2 1 ATOM 2613 N N . VAL A 1 346 ? -3.551 1.747 -8.932 1.00 15.85 ? 370 VAL A N 1 ATOM 2614 C CA . VAL A 1 346 ? -3.280 2.079 -7.527 1.00 16.19 ? 370 VAL A CA 1 ATOM 2615 C C . VAL A 1 346 ? -2.123 1.247 -6.936 1.00 16.23 ? 370 VAL A C 1 ATOM 2616 O O . VAL A 1 346 ? -1.217 1.798 -6.308 1.00 16.61 ? 370 VAL A O 1 ATOM 2617 C CB . VAL A 1 346 ? -4.567 1.932 -6.664 1.00 16.07 ? 370 VAL A CB 1 ATOM 2618 C CG1 . VAL A 1 346 ? -4.263 2.089 -5.159 1.00 15.94 ? 370 VAL A CG1 1 ATOM 2619 C CG2 . VAL A 1 346 ? -5.627 2.946 -7.110 1.00 15.91 ? 370 VAL A CG2 1 ATOM 2620 N N . SER A 1 347 ? -2.147 -0.062 -7.167 1.00 16.64 ? 371 SER A N 1 ATOM 2621 C CA . SER A 1 347 ? -1.167 -0.974 -6.567 1.00 17.01 ? 371 SER A CA 1 ATOM 2622 C C . SER A 1 347 ? 0.049 -1.290 -7.442 1.00 17.23 ? 371 SER A C 1 ATOM 2623 O O . SER A 1 347 ? 0.949 -2.012 -7.007 1.00 17.20 ? 371 SER A O 1 ATOM 2624 C CB . SER A 1 347 ? -1.850 -2.267 -6.122 1.00 16.89 ? 371 SER A CB 1 ATOM 2625 O OG . SER A 1 347 ? -2.386 -2.975 -7.225 1.00 17.23 ? 371 SER A OG 1 ATOM 2626 N N . LEU A 1 348 ? 0.088 -0.739 -8.659 1.00 17.29 ? 372 LEU A N 1 ATOM 2627 C CA . LEU A 1 348 ? 1.185 -1.007 -9.598 1.00 17.29 ? 372 LEU A CA 1 ATOM 2628 C C . LEU A 1 348 ? 2.583 -0.768 -9.021 1.00 17.37 ? 372 LEU A C 1 ATOM 2629 O O . LEU A 1 348 ? 3.464 -1.608 -9.193 1.00 17.85 ? 372 LEU A O 1 ATOM 2630 C CB . LEU A 1 348 ? 1.006 -0.239 -10.924 1.00 17.08 ? 372 LEU A CB 1 ATOM 2631 C CG . LEU A 1 348 ? 2.106 -0.424 -11.987 1.00 17.42 ? 372 LEU A CG 1 ATOM 2632 C CD1 . LEU A 1 348 ? 2.218 -1.889 -12.427 1.00 16.81 ? 372 LEU A CD1 1 ATOM 2633 C CD2 . LEU A 1 348 ? 1.895 0.500 -13.197 1.00 16.98 ? 372 LEU A CD2 1 ATOM 2634 N N . ASP A 1 349 ? 2.789 0.356 -8.336 1.00 17.43 ? 373 ASP A N 1 ATOM 2635 C CA . ASP A 1 349 ? 4.115 0.679 -7.796 1.00 17.71 ? 373 ASP A CA 1 ATOM 2636 C C . ASP A 1 349 ? 4.596 -0.336 -6.765 1.00 17.18 ? 373 ASP A C 1 ATOM 2637 O O . ASP A 1 349 ? 5.791 -0.643 -6.716 1.00 16.95 ? 373 ASP A O 1 ATOM 2638 C CB . ASP A 1 349 ? 4.160 2.089 -7.201 1.00 18.19 ? 373 ASP A CB 1 ATOM 2639 C CG . ASP A 1 349 ? 4.317 3.170 -8.259 1.00 20.56 ? 373 ASP A CG 1 ATOM 2640 O OD1 . ASP A 1 349 ? 4.312 2.838 -9.470 1.00 21.98 ? 373 ASP A OD1 1 ATOM 2641 O OD2 . ASP A 1 349 ? 4.455 4.353 -7.871 1.00 22.14 ? 373 ASP A OD2 1 ATOM 2642 N N . PHE A 1 350 ? 3.663 -0.839 -5.952 1.00 16.71 ? 374 PHE A N 1 ATOM 2643 C CA . PHE A 1 350 ? 3.947 -1.894 -4.984 1.00 16.64 ? 374 PHE A CA 1 ATOM 2644 C C . PHE A 1 350 ? 4.487 -3.131 -5.700 1.00 17.03 ? 374 PHE A C 1 ATOM 2645 O O . PHE A 1 350 ? 5.533 -3.669 -5.328 1.00 17.25 ? 374 PHE A O 1 ATOM 2646 C CB . PHE A 1 350 ? 2.689 -2.258 -4.178 1.00 16.08 ? 374 PHE A CB 1 ATOM 2647 C CG . PHE A 1 350 ? 2.820 -3.543 -3.395 1.00 15.08 ? 374 PHE A CG 1 ATOM 2648 C CD1 . PHE A 1 350 ? 2.328 -4.740 -3.904 1.00 13.24 ? 374 PHE A CD1 1 ATOM 2649 C CD2 . PHE A 1 350 ? 3.447 -3.555 -2.149 1.00 14.64 ? 374 PHE A CD2 1 ATOM 2650 C CE1 . PHE A 1 350 ? 2.464 -5.939 -3.186 1.00 13.47 ? 374 PHE A CE1 1 ATOM 2651 C CE2 . PHE A 1 350 ? 3.584 -4.755 -1.422 1.00 13.48 ? 374 PHE A CE2 1 ATOM 2652 C CZ . PHE A 1 350 ? 3.089 -5.941 -1.945 1.00 12.91 ? 374 PHE A CZ 1 ATOM 2653 N N . PHE A 1 351 ? 3.762 -3.573 -6.727 1.00 17.38 ? 375 PHE A N 1 ATOM 2654 C CA . PHE A 1 351 ? 4.113 -4.794 -7.452 1.00 17.73 ? 375 PHE A CA 1 ATOM 2655 C C . PHE A 1 351 ? 5.400 -4.626 -8.259 1.00 18.37 ? 375 PHE A C 1 ATOM 2656 O O . PHE A 1 351 ? 6.279 -5.491 -8.217 1.00 18.85 ? 375 PHE A O 1 ATOM 2657 C CB . PHE A 1 351 ? 2.954 -5.249 -8.348 1.00 17.27 ? 375 PHE A CB 1 ATOM 2658 C CG . PHE A 1 351 ? 1.819 -5.899 -7.600 1.00 16.48 ? 375 PHE A CG 1 ATOM 2659 C CD1 . PHE A 1 351 ? 1.937 -7.200 -7.114 1.00 16.07 ? 375 PHE A CD1 1 ATOM 2660 C CD2 . PHE A 1 351 ? 0.620 -5.214 -7.394 1.00 16.55 ? 375 PHE A CD2 1 ATOM 2661 C CE1 . PHE A 1 351 ? 0.885 -7.807 -6.424 1.00 16.41 ? 375 PHE A CE1 1 ATOM 2662 C CE2 . PHE A 1 351 ? -0.441 -5.807 -6.711 1.00 14.88 ? 375 PHE A CE2 1 ATOM 2663 C CZ . PHE A 1 351 ? -0.311 -7.113 -6.229 1.00 16.61 ? 375 PHE A CZ 1 ATOM 2664 N N . LYS A 1 352 ? 5.520 -3.495 -8.954 1.00 18.83 ? 376 LYS A N 1 ATOM 2665 C CA . LYS A 1 352 ? 6.677 -3.199 -9.808 1.00 19.50 ? 376 LYS A CA 1 ATOM 2666 C C . LYS A 1 352 ? 8.015 -3.264 -9.064 1.00 19.41 ? 376 LYS A C 1 ATOM 2667 O O . LYS A 1 352 ? 9.020 -3.727 -9.624 1.00 19.06 ? 376 LYS A O 1 ATOM 2668 C CB . LYS A 1 352 ? 6.501 -1.833 -10.503 1.00 19.89 ? 376 LYS A CB 1 ATOM 2669 C CG . LYS A 1 352 ? 7.771 -1.260 -11.137 1.00 21.99 ? 376 LYS A CG 1 ATOM 2670 C CD . LYS A 1 352 ? 7.491 -0.508 -12.440 1.00 25.48 ? 376 LYS A CD 1 ATOM 2671 C CE . LYS A 1 352 ? 8.799 -0.070 -13.102 1.00 26.70 ? 376 LYS A CE 1 ATOM 2672 N NZ . LYS A 1 352 ? 8.603 0.376 -14.515 1.00 28.55 ? 376 LYS A NZ 1 ATOM 2673 N N . ALA A 1 353 ? 8.019 -2.803 -7.811 1.00 18.90 ? 377 ALA A N 1 ATOM 2674 C CA . ALA A 1 353 ? 9.240 -2.773 -6.999 1.00 19.09 ? 377 ALA A CA 1 ATOM 2675 C C . ALA A 1 353 ? 9.759 -4.171 -6.678 1.00 18.99 ? 377 ALA A C 1 ATOM 2676 O O . ALA A 1 353 ? 10.964 -4.363 -6.499 1.00 19.30 ? 377 ALA A O 1 ATOM 2677 C CB . ALA A 1 353 ? 9.012 -1.988 -5.717 1.00 18.79 ? 377 ALA A CB 1 ATOM 2678 N N . LEU A 1 354 ? 8.841 -5.131 -6.612 1.00 19.01 ? 378 LEU A N 1 ATOM 2679 C CA . LEU A 1 354 ? 9.151 -6.518 -6.255 1.00 19.40 ? 378 LEU A CA 1 ATOM 2680 C C . LEU A 1 354 ? 9.270 -7.435 -7.473 1.00 20.14 ? 378 LEU A C 1 ATOM 2681 O O . LEU A 1 354 ? 9.966 -8.454 -7.429 1.00 20.06 ? 378 LEU A O 1 ATOM 2682 C CB . LEU A 1 354 ? 8.073 -7.069 -5.320 1.00 18.96 ? 378 LEU A CB 1 ATOM 2683 C CG . LEU A 1 354 ? 7.771 -6.274 -4.047 1.00 17.81 ? 378 LEU A CG 1 ATOM 2684 C CD1 . LEU A 1 354 ? 6.588 -6.889 -3.312 1.00 16.32 ? 378 LEU A CD1 1 ATOM 2685 C CD2 . LEU A 1 354 ? 9.007 -6.204 -3.157 1.00 17.18 ? 378 LEU A CD2 1 ATOM 2686 N N . TYR A 1 355 ? 8.560 -7.071 -8.538 1.00 20.90 ? 379 TYR A N 1 ATOM 2687 C CA . TYR A 1 355 ? 8.538 -7.818 -9.787 1.00 21.78 ? 379 TYR A CA 1 ATOM 2688 C C . TYR A 1 355 ? 8.507 -6.824 -10.953 1.00 21.96 ? 379 TYR A C 1 ATOM 2689 O O . TYR A 1 355 ? 7.450 -6.289 -11.303 1.00 22.04 ? 379 TYR A O 1 ATOM 2690 C CB . TYR A 1 355 ? 7.333 -8.763 -9.816 1.00 22.11 ? 379 TYR A CB 1 ATOM 2691 C CG . TYR A 1 355 ? 7.162 -9.528 -11.112 1.00 23.45 ? 379 TYR A CG 1 ATOM 2692 C CD1 . TYR A 1 355 ? 8.143 -10.418 -11.559 1.00 23.83 ? 379 TYR A CD1 1 ATOM 2693 C CD2 . TYR A 1 355 ? 6.010 -9.371 -11.887 1.00 23.16 ? 379 TYR A CD2 1 ATOM 2694 C CE1 . TYR A 1 355 ? 7.984 -11.125 -12.750 1.00 24.65 ? 379 TYR A CE1 1 ATOM 2695 C CE2 . TYR A 1 355 ? 5.840 -10.071 -13.077 1.00 24.47 ? 379 TYR A CE2 1 ATOM 2696 C CZ . TYR A 1 355 ? 6.830 -10.944 -13.505 1.00 24.31 ? 379 TYR A CZ 1 ATOM 2697 O OH . TYR A 1 355 ? 6.666 -11.642 -14.682 1.00 23.96 ? 379 TYR A OH 1 ATOM 2698 N N . SER A 1 356 ? 9.683 -6.590 -11.534 1.00 22.13 ? 380 SER A N 1 ATOM 2699 C CA . SER A 1 356 ? 9.919 -5.539 -12.535 1.00 22.47 ? 380 SER A CA 1 ATOM 2700 C C . SER A 1 356 ? 8.984 -5.554 -13.747 1.00 22.35 ? 380 SER A C 1 ATOM 2701 O O . SER A 1 356 ? 8.758 -4.511 -14.363 1.00 22.63 ? 380 SER A O 1 ATOM 2702 C CB . SER A 1 356 ? 11.363 -5.606 -13.027 1.00 22.51 ? 380 SER A CB 1 ATOM 2703 O OG . SER A 1 356 ? 11.605 -6.841 -13.681 1.00 23.29 ? 380 SER A OG 1 ATOM 2704 N N . ASP A 1 357 ? 8.464 -6.727 -14.092 1.00 22.21 ? 381 ASP A N 1 ATOM 2705 C CA . ASP A 1 357 ? 7.605 -6.878 -15.266 1.00 22.36 ? 381 ASP A CA 1 ATOM 2706 C C . ASP A 1 357 ? 6.114 -6.745 -14.951 1.00 21.92 ? 381 ASP A C 1 ATOM 2707 O O . ASP A 1 357 ? 5.276 -6.946 -15.833 1.00 21.84 ? 381 ASP A O 1 ATOM 2708 C CB . ASP A 1 357 ? 7.874 -8.218 -15.968 1.00 22.73 ? 381 ASP A CB 1 ATOM 2709 C CG . ASP A 1 357 ? 9.160 -8.215 -16.784 1.00 23.78 ? 381 ASP A CG 1 ATOM 2710 O OD1 . ASP A 1 357 ? 9.960 -7.253 -16.694 1.00 24.54 ? 381 ASP A OD1 1 ATOM 2711 O OD2 . ASP A 1 357 ? 9.370 -9.199 -17.525 1.00 26.28 ? 381 ASP A OD2 1 ATOM 2712 N N . ALA A 1 358 ? 5.790 -6.404 -13.702 1.00 21.19 ? 382 ALA A N 1 ATOM 2713 C CA . ALA A 1 358 ? 4.397 -6.232 -13.278 1.00 20.56 ? 382 ALA A CA 1 ATOM 2714 C C . ALA A 1 358 ? 3.629 -5.283 -14.197 1.00 20.01 ? 382 ALA A C 1 ATOM 2715 O O . ALA A 1 358 ? 4.147 -4.246 -14.605 1.00 19.88 ? 382 ALA A O 1 ATOM 2716 C CB . ALA A 1 358 ? 4.327 -5.739 -11.837 1.00 20.56 ? 382 ALA A CB 1 ATOM 2717 N N . ALA A 1 359 ? 2.395 -5.663 -14.513 1.00 19.53 ? 383 ALA A N 1 ATOM 2718 C CA . ALA A 1 359 ? 1.509 -4.860 -15.347 1.00 19.49 ? 383 ALA A CA 1 ATOM 2719 C C . ALA A 1 359 ? 0.066 -5.053 -14.896 1.00 19.39 ? 383 ALA A C 1 ATOM 2720 O O . ALA A 1 359 ? -0.299 -6.116 -14.399 1.00 19.10 ? 383 ALA A O 1 ATOM 2721 C CB . ALA A 1 359 ? 1.669 -5.241 -16.817 1.00 19.41 ? 383 ALA A CB 1 ATOM 2722 N N . THR A 1 360 ? -0.756 -4.022 -15.074 1.00 19.68 ? 384 THR A N 1 ATOM 2723 C CA . THR A 1 360 ? -2.153 -4.077 -14.648 1.00 19.87 ? 384 THR A CA 1 ATOM 2724 C C . THR A 1 360 ? -2.877 -5.255 -15.286 1.00 19.98 ? 384 THR A C 1 ATOM 2725 O O . THR A 1 360 ? -2.694 -5.537 -16.472 1.00 20.30 ? 384 THR A O 1 ATOM 2726 C CB . THR A 1 360 ? -2.905 -2.764 -14.955 1.00 19.97 ? 384 THR A CB 1 ATOM 2727 O OG1 . THR A 1 360 ? -2.812 -2.468 -16.352 1.00 20.79 ? 384 THR A OG1 1 ATOM 2728 C CG2 . THR A 1 360 ? -2.312 -1.607 -14.163 1.00 19.72 ? 384 THR A CG2 1 ATOM 2729 N N . GLY A 1 361 ? -3.688 -5.943 -14.492 1.00 19.93 ? 385 GLY A N 1 ATOM 2730 C CA . GLY A 1 361 ? -4.402 -7.129 -14.954 1.00 20.10 ? 385 GLY A CA 1 ATOM 2731 C C . GLY A 1 361 ? -4.673 -8.141 -13.856 1.00 20.19 ? 385 GLY A C 1 ATOM 2732 O O . GLY A 1 361 ? -4.320 -7.926 -12.692 1.00 20.09 ? 385 GLY A O 1 ATOM 2733 N N . THR A 1 362 ? -5.307 -9.246 -14.238 1.00 20.09 ? 386 THR A N 1 ATOM 2734 C CA . THR A 1 362 ? -5.696 -10.303 -13.307 1.00 20.25 ? 386 THR A CA 1 ATOM 2735 C C . THR A 1 362 ? -4.991 -11.607 -13.678 1.00 20.29 ? 386 THR A C 1 ATOM 2736 O O . THR A 1 362 ? -5.064 -12.062 -14.825 1.00 20.05 ? 386 THR A O 1 ATOM 2737 C CB . THR A 1 362 ? -7.231 -10.506 -13.291 1.00 20.11 ? 386 THR A CB 1 ATOM 2738 O OG1 . THR A 1 362 ? -7.872 -9.268 -12.964 1.00 20.15 ? 386 THR A OG1 1 ATOM 2739 C CG2 . THR A 1 362 ? -7.641 -11.560 -12.263 1.00 20.67 ? 386 THR A CG2 1 ATOM 2740 N N . TYR A 1 363 ? -4.309 -12.196 -12.699 1.00 20.20 ? 387 TYR A N 1 ATOM 2741 C CA . TYR A 1 363 ? -3.494 -13.386 -12.926 1.00 20.21 ? 387 TYR A CA 1 ATOM 2742 C C . TYR A 1 363 ? -3.927 -14.537 -12.024 1.00 20.43 ? 387 TYR A C 1 ATOM 2743 O O . TYR A 1 363 ? -3.875 -14.427 -10.797 1.00 20.66 ? 387 TYR A O 1 ATOM 2744 C CB . TYR A 1 363 ? -2.009 -13.049 -12.743 1.00 19.90 ? 387 TYR A CB 1 ATOM 2745 C CG . TYR A 1 363 ? -1.592 -11.815 -13.510 1.00 20.04 ? 387 TYR A CG 1 ATOM 2746 C CD1 . TYR A 1 363 ? -1.351 -11.877 -14.884 1.00 20.16 ? 387 TYR A CD1 1 ATOM 2747 C CD2 . TYR A 1 363 ? -1.464 -10.576 -12.871 1.00 20.09 ? 387 TYR A CD2 1 ATOM 2748 C CE1 . TYR A 1 363 ? -0.980 -10.743 -15.600 1.00 19.74 ? 387 TYR A CE1 1 ATOM 2749 C CE2 . TYR A 1 363 ? -1.095 -9.435 -13.581 1.00 19.88 ? 387 TYR A CE2 1 ATOM 2750 C CZ . TYR A 1 363 ? -0.859 -9.529 -14.948 1.00 19.85 ? 387 TYR A CZ 1 ATOM 2751 O OH . TYR A 1 363 ? -0.493 -8.419 -15.667 1.00 19.37 ? 387 TYR A OH 1 ATOM 2752 N N . SER A 1 364 ? -4.356 -15.631 -12.653 1.00 20.53 ? 388 SER A N 1 ATOM 2753 C CA . SER A 1 364 ? -4.880 -16.822 -11.970 1.00 20.96 ? 388 SER A CA 1 ATOM 2754 C C . SER A 1 364 ? -3.804 -17.536 -11.158 1.00 21.07 ? 388 SER A C 1 ATOM 2755 O O . SER A 1 364 ? -2.634 -17.474 -11.505 1.00 20.79 ? 388 SER A O 1 ATOM 2756 C CB . SER A 1 364 ? -5.459 -17.792 -13.000 1.00 21.10 ? 388 SER A CB 1 ATOM 2757 O OG . SER A 1 364 ? -6.183 -18.836 -12.374 1.00 21.77 ? 388 SER A OG 1 ATOM 2758 N N . SER A 1 365 ? -4.203 -18.220 -10.085 1.00 21.71 ? 389 SER A N 1 ATOM 2759 C CA . SER A 1 365 ? -3.239 -18.931 -9.229 1.00 22.44 ? 389 SER A CA 1 ATOM 2760 C C . SER A 1 365 ? -2.506 -20.036 -9.993 1.00 23.00 ? 389 SER A C 1 ATOM 2761 O O . SER A 1 365 ? -1.341 -20.349 -9.706 1.00 23.28 ? 389 SER A O 1 ATOM 2762 C CB . SER A 1 365 ? -3.900 -19.476 -7.962 1.00 22.18 ? 389 SER A CB 1 ATOM 2763 O OG . SER A 1 365 ? -4.954 -20.370 -8.261 1.00 22.64 ? 389 SER A OG 1 ATOM 2764 N N . SER A 1 366 ? -3.188 -20.594 -10.988 1.00 23.63 ? 390 SER A N 1 ATOM 2765 C CA . SER A 1 366 ? -2.583 -21.552 -11.912 1.00 23.94 ? 390 SER A CA 1 ATOM 2766 C C . SER A 1 366 ? -1.568 -20.891 -12.858 1.00 24.00 ? 390 SER A C 1 ATOM 2767 O O . SER A 1 366 ? -0.715 -21.576 -13.430 1.00 24.01 ? 390 SER A O 1 ATOM 2768 C CB . SER A 1 366 ? -3.674 -22.268 -12.715 1.00 24.02 ? 390 SER A CB 1 ATOM 2769 O OG . SER A 1 366 ? -4.449 -21.346 -13.468 1.00 24.36 ? 390 SER A OG 1 ATOM 2770 N N . SER A 1 367 ? -1.646 -19.568 -13.004 1.00 23.73 ? 391 SER A N 1 ATOM 2771 C CA . SER A 1 367 ? -0.862 -18.862 -14.024 1.00 23.71 ? 391 SER A CA 1 ATOM 2772 C C . SER A 1 367 ? 0.598 -18.672 -13.641 1.00 23.63 ? 391 SER A C 1 ATOM 2773 O O . SER A 1 367 ? 0.958 -18.729 -12.465 1.00 23.88 ? 391 SER A O 1 ATOM 2774 C CB . SER A 1 367 ? -1.495 -17.508 -14.369 1.00 23.93 ? 391 SER A CB 1 ATOM 2775 O OG . SER A 1 367 ? -1.210 -16.535 -13.373 1.00 23.75 ? 391 SER A OG 1 ATOM 2776 N N . SER A 1 368 ? 1.425 -18.426 -14.652 1.00 23.64 ? 392 SER A N 1 ATOM 2777 C CA . SER A 1 368 ? 2.862 -18.210 -14.482 1.00 23.49 ? 392 SER A CA 1 ATOM 2778 C C . SER A 1 368 ? 3.201 -16.910 -13.748 1.00 23.31 ? 392 SER A C 1 ATOM 2779 O O . SER A 1 368 ? 4.064 -16.900 -12.863 1.00 23.38 ? 392 SER A O 1 ATOM 2780 C CB . SER A 1 368 ? 3.553 -18.231 -15.848 1.00 23.65 ? 392 SER A CB 1 ATOM 2781 O OG . SER A 1 368 ? 4.900 -17.804 -15.753 1.00 23.69 ? 392 SER A OG 1 ATOM 2782 N N . THR A 1 369 ? 2.532 -15.818 -14.132 1.00 22.90 ? 393 THR A N 1 ATOM 2783 C CA . THR A 1 369 ? 2.802 -14.482 -13.584 1.00 22.00 ? 393 THR A CA 1 ATOM 2784 C C . THR A 1 369 ? 2.533 -14.436 -12.077 1.00 21.50 ? 393 THR A C 1 ATOM 2785 O O . THR A 1 369 ? 3.294 -13.830 -11.322 1.00 21.04 ? 393 THR A O 1 ATOM 2786 C CB . THR A 1 369 ? 1.961 -13.394 -14.305 1.00 22.23 ? 393 THR A CB 1 ATOM 2787 O OG1 . THR A 1 369 ? 2.041 -13.584 -15.728 1.00 22.55 ? 393 THR A OG1 1 ATOM 2788 C CG2 . THR A 1 369 ? 2.457 -11.987 -13.949 1.00 21.54 ? 393 THR A CG2 1 ATOM 2789 N N . TYR A 1 370 ? 1.443 -15.083 -11.670 1.00 21.08 ? 394 TYR A N 1 ATOM 2790 C CA . TYR A 1 370 ? 1.054 -15.226 -10.272 1.00 20.95 ? 394 TYR A CA 1 ATOM 2791 C C . TYR A 1 370 ? 2.190 -15.844 -9.471 1.00 21.24 ? 394 TYR A C 1 ATOM 2792 O O . TYR A 1 370 ? 2.554 -15.333 -8.411 1.00 21.31 ? 394 TYR A O 1 ATOM 2793 C CB . TYR A 1 370 ? -0.193 -16.093 -10.190 1.00 20.43 ? 394 TYR A CB 1 ATOM 2794 C CG . TYR A 1 370 ? -0.713 -16.422 -8.805 1.00 20.18 ? 394 TYR A CG 1 ATOM 2795 C CD1 . TYR A 1 370 ? -0.179 -17.485 -8.068 1.00 19.45 ? 394 TYR A CD1 1 ATOM 2796 C CD2 . TYR A 1 370 ? -1.781 -15.712 -8.257 1.00 18.93 ? 394 TYR A CD2 1 ATOM 2797 C CE1 . TYR A 1 370 ? -0.673 -17.806 -6.811 1.00 19.56 ? 394 TYR A CE1 1 ATOM 2798 C CE2 . TYR A 1 370 ? -2.285 -16.029 -7.001 1.00 19.11 ? 394 TYR A CE2 1 ATOM 2799 C CZ . TYR A 1 370 ? -1.725 -17.077 -6.282 1.00 19.56 ? 394 TYR A CZ 1 ATOM 2800 O OH . TYR A 1 370 ? -2.220 -17.404 -5.037 1.00 19.53 ? 394 TYR A OH 1 ATOM 2801 N N . SER A 1 371 ? 2.756 -16.932 -9.997 1.00 21.37 ? 395 SER A N 1 ATOM 2802 C CA . SER A 1 371 ? 3.849 -17.639 -9.332 1.00 21.40 ? 395 SER A CA 1 ATOM 2803 C C . SER A 1 371 ? 5.034 -16.739 -9.039 1.00 21.16 ? 395 SER A C 1 ATOM 2804 O O . SER A 1 371 ? 5.557 -16.767 -7.932 1.00 21.52 ? 395 SER A O 1 ATOM 2805 C CB . SER A 1 371 ? 4.303 -18.856 -10.144 1.00 21.43 ? 395 SER A CB 1 ATOM 2806 O OG . SER A 1 371 ? 3.398 -19.929 -9.976 1.00 22.35 ? 395 SER A OG 1 ATOM 2807 N N . SER A 1 372 ? 5.448 -15.943 -10.022 1.00 20.86 ? 396 SER A N 1 ATOM 2808 C CA . SER A 1 372 ? 6.575 -15.028 -9.840 1.00 20.87 ? 396 SER A CA 1 ATOM 2809 C C . SER A 1 372 ? 6.287 -13.946 -8.798 1.00 20.54 ? 396 SER A C 1 ATOM 2810 O O . SER A 1 372 ? 7.166 -13.589 -8.008 1.00 20.26 ? 396 SER A O 1 ATOM 2811 C CB . SER A 1 372 ? 6.982 -14.388 -11.168 1.00 21.06 ? 396 SER A CB 1 ATOM 2812 O OG . SER A 1 372 ? 7.420 -15.371 -12.092 1.00 21.66 ? 396 SER A OG 1 ATOM 2813 N N . ILE A 1 373 ? 5.054 -13.440 -8.795 1.00 20.04 ? 397 ILE A N 1 ATOM 2814 C CA . ILE A 1 373 ? 4.682 -12.362 -7.881 1.00 19.54 ? 397 ILE A CA 1 ATOM 2815 C C . ILE A 1 373 ? 4.585 -12.861 -6.443 1.00 19.28 ? 397 ILE A C 1 ATOM 2816 O O . ILE A 1 373 ? 5.180 -12.260 -5.548 1.00 19.54 ? 397 ILE A O 1 ATOM 2817 C CB . ILE A 1 373 ? 3.379 -11.620 -8.302 1.00 19.59 ? 397 ILE A CB 1 ATOM 2818 C CG1 . ILE A 1 373 ? 3.610 -10.817 -9.589 1.00 19.00 ? 397 ILE A CG1 1 ATOM 2819 C CG2 . ILE A 1 373 ? 2.923 -10.675 -7.185 1.00 18.76 ? 397 ILE A CG2 1 ATOM 2820 C CD1 . ILE A 1 373 ? 2.343 -10.231 -10.209 1.00 19.31 ? 397 ILE A CD1 1 ATOM 2821 N N . VAL A 1 374 ? 3.855 -13.955 -6.229 1.00 19.14 ? 398 VAL A N 1 ATOM 2822 C CA . VAL A 1 374 ? 3.683 -14.497 -4.874 1.00 18.93 ? 398 VAL A CA 1 ATOM 2823 C C . VAL A 1 374 ? 5.030 -14.927 -4.278 1.00 18.89 ? 398 VAL A C 1 ATOM 2824 O O . VAL A 1 374 ? 5.246 -14.797 -3.073 1.00 18.63 ? 398 VAL A O 1 ATOM 2825 C CB . VAL A 1 374 ? 2.615 -15.632 -4.782 1.00 18.86 ? 398 VAL A CB 1 ATOM 2826 C CG1 . VAL A 1 374 ? 1.223 -15.102 -5.156 1.00 18.86 ? 398 VAL A CG1 1 ATOM 2827 C CG2 . VAL A 1 374 ? 2.989 -16.847 -5.632 1.00 18.77 ? 398 VAL A CG2 1 ATOM 2828 N N . ASP A 1 375 ? 5.933 -15.403 -5.140 1.00 18.67 ? 399 ASP A N 1 ATOM 2829 C CA . ASP A 1 375 ? 7.280 -15.800 -4.728 1.00 18.52 ? 399 ASP A CA 1 ATOM 2830 C C . ASP A 1 375 ? 8.059 -14.599 -4.247 1.00 17.88 ? 399 ASP A C 1 ATOM 2831 O O . ASP A 1 375 ? 8.688 -14.653 -3.191 1.00 17.62 ? 399 ASP A O 1 ATOM 2832 C CB . ASP A 1 375 ? 8.040 -16.491 -5.871 1.00 18.55 ? 399 ASP A CB 1 ATOM 2833 C CG . ASP A 1 375 ? 7.726 -17.977 -5.983 1.00 20.25 ? 399 ASP A CG 1 ATOM 2834 O OD1 . ASP A 1 375 ? 6.815 -18.482 -5.276 1.00 21.05 ? 399 ASP A OD1 1 ATOM 2835 O OD2 . ASP A 1 375 ? 8.396 -18.651 -6.807 1.00 21.70 ? 399 ASP A OD2 1 ATOM 2836 N N . ALA A 1 376 ? 8.000 -13.510 -5.017 1.00 17.21 ? 400 ALA A N 1 ATOM 2837 C CA . ALA A 1 376 ? 8.644 -12.261 -4.642 1.00 16.81 ? 400 ALA A CA 1 ATOM 2838 C C . ALA A 1 376 ? 8.021 -11.686 -3.366 1.00 16.71 ? 400 ALA A C 1 ATOM 2839 O O . ALA A 1 376 ? 8.747 -11.238 -2.481 1.00 16.48 ? 400 ALA A O 1 ATOM 2840 C CB . ALA A 1 376 ? 8.568 -11.252 -5.779 1.00 16.94 ? 400 ALA A CB 1 ATOM 2841 N N . VAL A 1 377 ? 6.688 -11.704 -3.280 1.00 16.44 ? 401 VAL A N 1 ATOM 2842 C CA . VAL A 1 377 ? 5.979 -11.183 -2.099 1.00 16.54 ? 401 VAL A CA 1 ATOM 2843 C C . VAL A 1 377 ? 6.377 -11.963 -0.839 1.00 16.75 ? 401 VAL A C 1 ATOM 2844 O O . VAL A 1 377 ? 6.652 -11.362 0.209 1.00 16.76 ? 401 VAL A O 1 ATOM 2845 C CB . VAL A 1 377 ? 4.429 -11.175 -2.284 1.00 16.84 ? 401 VAL A CB 1 ATOM 2846 C CG1 . VAL A 1 377 ? 3.714 -10.747 -0.995 1.00 15.31 ? 401 VAL A CG1 1 ATOM 2847 C CG2 . VAL A 1 377 ? 4.037 -10.243 -3.421 1.00 16.63 ? 401 VAL A CG2 1 ATOM 2848 N N . LYS A 1 378 ? 6.418 -13.292 -0.958 1.00 16.60 ? 402 LYS A N 1 ATOM 2849 C CA . LYS A 1 378 ? 6.807 -14.172 0.142 1.00 16.82 ? 402 LYS A CA 1 ATOM 2850 C C . LYS A 1 378 ? 8.237 -13.905 0.627 1.00 16.68 ? 402 LYS A C 1 ATOM 2851 O O . LYS A 1 378 ? 8.485 -13.848 1.830 1.00 16.64 ? 402 LYS A O 1 ATOM 2852 C CB . LYS A 1 378 ? 6.610 -15.650 -0.255 1.00 17.10 ? 402 LYS A CB 1 ATOM 2853 C CG . LYS A 1 378 ? 6.971 -16.685 0.816 1.00 18.02 ? 402 LYS A CG 1 ATOM 2854 C CD . LYS A 1 378 ? 6.101 -16.562 2.052 1.00 20.07 ? 402 LYS A CD 1 ATOM 2855 C CE . LYS A 1 378 ? 6.635 -17.414 3.196 1.00 21.31 ? 402 LYS A CE 1 ATOM 2856 N NZ . LYS A 1 378 ? 6.320 -18.852 3.037 1.00 22.61 ? 402 LYS A NZ 1 ATOM 2857 N N . THR A 1 379 ? 9.166 -13.738 -0.315 1.00 16.68 ? 403 THR A N 1 ATOM 2858 C CA . THR A 1 379 ? 10.564 -13.428 -0.006 1.00 16.75 ? 403 THR A CA 1 ATOM 2859 C C . THR A 1 379 ? 10.707 -12.070 0.699 1.00 16.94 ? 403 THR A C 1 ATOM 2860 O O . THR A 1 379 ? 11.468 -11.939 1.664 1.00 16.70 ? 403 THR A O 1 ATOM 2861 C CB . THR A 1 379 ? 11.432 -13.471 -1.293 1.00 16.98 ? 403 THR A CB 1 ATOM 2862 O OG1 . THR A 1 379 ? 11.355 -14.782 -1.867 1.00 16.75 ? 403 THR A OG1 1 ATOM 2863 C CG2 . THR A 1 379 ? 12.894 -13.139 -0.996 1.00 17.56 ? 403 THR A CG2 1 ATOM 2864 N N . PHE A 1 380 ? 9.965 -11.077 0.205 1.00 16.34 ? 404 PHE A N 1 ATOM 2865 C CA . PHE A 1 380 ? 9.917 -9.720 0.771 1.00 16.02 ? 404 PHE A CA 1 ATOM 2866 C C . PHE A 1 380 ? 9.427 -9.760 2.231 1.00 15.87 ? 404 PHE A C 1 ATOM 2867 O O . PHE A 1 380 ? 10.095 -9.241 3.128 1.00 16.02 ? 404 PHE A O 1 ATOM 2868 C CB . PHE A 1 380 ? 8.993 -8.861 -0.117 1.00 15.57 ? 404 PHE A CB 1 ATOM 2869 C CG . PHE A 1 380 ? 9.014 -7.378 0.174 1.00 14.97 ? 404 PHE A CG 1 ATOM 2870 C CD1 . PHE A 1 380 ? 10.208 -6.668 0.277 1.00 14.18 ? 404 PHE A CD1 1 ATOM 2871 C CD2 . PHE A 1 380 ? 7.809 -6.676 0.264 1.00 13.67 ? 404 PHE A CD2 1 ATOM 2872 C CE1 . PHE A 1 380 ? 10.202 -5.281 0.525 1.00 15.25 ? 404 PHE A CE1 1 ATOM 2873 C CE2 . PHE A 1 380 ? 7.785 -5.298 0.497 1.00 13.71 ? 404 PHE A CE2 1 ATOM 2874 C CZ . PHE A 1 380 ? 8.980 -4.596 0.628 1.00 15.16 ? 404 PHE A CZ 1 ATOM 2875 N N . ALA A 1 381 ? 8.277 -10.392 2.451 1.00 15.93 ? 405 ALA A N 1 ATOM 2876 C CA . ALA A 1 381 ? 7.699 -10.584 3.786 1.00 16.09 ? 405 ALA A CA 1 ATOM 2877 C C . ALA A 1 381 ? 8.679 -11.293 4.732 1.00 16.79 ? 405 ALA A C 1 ATOM 2878 O O . ALA A 1 381 ? 8.891 -10.849 5.862 1.00 16.46 ? 405 ALA A O 1 ATOM 2879 C CB . ALA A 1 381 ? 6.405 -11.367 3.687 1.00 15.51 ? 405 ALA A CB 1 ATOM 2880 N N . ASP A 1 382 ? 9.285 -12.381 4.250 1.00 17.25 ? 406 ASP A N 1 ATOM 2881 C CA . ASP A 1 382 ? 10.320 -13.104 5.000 1.00 17.80 ? 406 ASP A CA 1 ATOM 2882 C C . ASP A 1 382 ? 11.494 -12.206 5.357 1.00 18.05 ? 406 ASP A C 1 ATOM 2883 O O . ASP A 1 382 ? 12.110 -12.372 6.413 1.00 18.74 ? 406 ASP A O 1 ATOM 2884 C CB . ASP A 1 382 ? 10.821 -14.323 4.214 1.00 17.64 ? 406 ASP A CB 1 ATOM 2885 C CG . ASP A 1 382 ? 9.858 -15.500 4.264 1.00 18.27 ? 406 ASP A CG 1 ATOM 2886 O OD1 . ASP A 1 382 ? 8.762 -15.389 4.864 1.00 17.84 ? 406 ASP A OD1 1 ATOM 2887 O OD2 . ASP A 1 382 ? 10.205 -16.561 3.701 1.00 19.30 ? 406 ASP A OD2 1 ATOM 2888 N N . GLY A 1 383 ? 11.801 -11.267 4.465 1.00 17.77 ? 407 GLY A N 1 ATOM 2889 C CA . GLY A 1 383 ? 12.856 -10.286 4.677 1.00 17.53 ? 407 GLY A CA 1 ATOM 2890 C C . GLY A 1 383 ? 12.662 -9.450 5.931 1.00 17.42 ? 407 GLY A C 1 ATOM 2891 O O . GLY A 1 383 ? 13.633 -9.165 6.638 1.00 17.04 ? 407 GLY A O 1 ATOM 2892 N N . PHE A 1 384 ? 11.416 -9.048 6.195 1.00 16.74 ? 408 PHE A N 1 ATOM 2893 C CA . PHE A 1 384 ? 11.084 -8.278 7.397 1.00 16.72 ? 408 PHE A CA 1 ATOM 2894 C C . PHE A 1 384 ? 11.301 -9.110 8.666 1.00 16.96 ? 408 PHE A C 1 ATOM 2895 O O . PHE A 1 384 ? 11.878 -8.617 9.641 1.00 17.25 ? 408 PHE A O 1 ATOM 2896 C CB . PHE A 1 384 ? 9.641 -7.746 7.335 1.00 16.51 ? 408 PHE A CB 1 ATOM 2897 C CG . PHE A 1 384 ? 9.423 -6.701 6.270 1.00 15.53 ? 408 PHE A CG 1 ATOM 2898 C CD1 . PHE A 1 384 ? 9.815 -5.384 6.476 1.00 14.98 ? 408 PHE A CD1 1 ATOM 2899 C CD2 . PHE A 1 384 ? 8.825 -7.040 5.056 1.00 15.75 ? 408 PHE A CD2 1 ATOM 2900 C CE1 . PHE A 1 384 ? 9.622 -4.412 5.490 1.00 15.70 ? 408 PHE A CE1 1 ATOM 2901 C CE2 . PHE A 1 384 ? 8.622 -6.074 4.055 1.00 14.42 ? 408 PHE A CE2 1 ATOM 2902 C CZ . PHE A 1 384 ? 9.025 -4.763 4.269 1.00 15.16 ? 408 PHE A CZ 1 ATOM 2903 N N . VAL A 1 385 ? 10.853 -10.368 8.632 1.00 17.14 ? 409 VAL A N 1 ATOM 2904 C CA . VAL A 1 385 ? 10.983 -11.283 9.779 1.00 17.44 ? 409 VAL A CA 1 ATOM 2905 C C . VAL A 1 385 ? 12.462 -11.554 10.094 1.00 17.51 ? 409 VAL A C 1 ATOM 2906 O O . VAL A 1 385 ? 12.851 -11.588 11.265 1.00 17.59 ? 409 VAL A O 1 ATOM 2907 C CB . VAL A 1 385 ? 10.183 -12.602 9.569 1.00 17.37 ? 409 VAL A CB 1 ATOM 2908 C CG1 . VAL A 1 385 ? 10.424 -13.589 10.710 1.00 18.39 ? 409 VAL A CG1 1 ATOM 2909 C CG2 . VAL A 1 385 ? 8.684 -12.315 9.446 1.00 17.19 ? 409 VAL A CG2 1 ATOM 2910 N N . SER A 1 386 ? 13.271 -11.723 9.045 1.00 17.20 ? 410 SER A N 1 ATOM 2911 C CA . SER A 1 386 ? 14.725 -11.901 9.167 1.00 17.29 ? 410 SER A CA 1 ATOM 2912 C C . SER A 1 386 ? 15.413 -10.730 9.870 1.00 17.26 ? 410 SER A C 1 ATOM 2913 O O . SER A 1 386 ? 16.339 -10.935 10.664 1.00 17.39 ? 410 SER A O 1 ATOM 2914 C CB . SER A 1 386 ? 15.354 -12.108 7.787 1.00 17.32 ? 410 SER A CB 1 ATOM 2915 O OG . SER A 1 386 ? 14.862 -13.292 7.184 1.00 19.72 ? 410 SER A OG 1 ATOM 2916 N N . ILE A 1 387 ? 14.964 -9.509 9.578 1.00 16.15 ? 411 ILE A N 1 ATOM 2917 C CA . ILE A 1 387 ? 15.486 -8.317 10.244 1.00 15.69 ? 411 ILE A CA 1 ATOM 2918 C C . ILE A 1 387 ? 15.165 -8.371 11.739 1.00 15.56 ? 411 ILE A C 1 ATOM 2919 O O . ILE A 1 387 ? 16.042 -8.144 12.568 1.00 15.16 ? 411 ILE A O 1 ATOM 2920 C CB . ILE A 1 387 ? 14.982 -7.009 9.571 1.00 15.42 ? 411 ILE A CB 1 ATOM 2921 C CG1 . ILE A 1 387 ? 15.591 -6.877 8.173 1.00 15.49 ? 411 ILE A CG1 1 ATOM 2922 C CG2 . ILE A 1 387 ? 15.338 -5.766 10.397 1.00 15.86 ? 411 ILE A CG2 1 ATOM 2923 C CD1 . ILE A 1 387 ? 14.940 -5.823 7.306 1.00 14.33 ? 411 ILE A CD1 1 ATOM 2924 N N . VAL A 1 388 ? 13.916 -8.703 12.069 1.00 15.25 ? 412 VAL A N 1 ATOM 2925 C CA . VAL A 1 388 ? 13.497 -8.930 13.454 1.00 15.32 ? 412 VAL A CA 1 ATOM 2926 C C . VAL A 1 388 ? 14.385 -9.991 14.129 1.00 15.83 ? 412 VAL A C 1 ATOM 2927 O O . VAL A 1 388 ? 14.864 -9.784 15.251 1.00 15.24 ? 412 VAL A O 1 ATOM 2928 C CB . VAL A 1 388 ? 12.004 -9.361 13.524 1.00 15.49 ? 412 VAL A CB 1 ATOM 2929 C CG1 . VAL A 1 388 ? 11.616 -9.817 14.932 1.00 14.54 ? 412 VAL A CG1 1 ATOM 2930 C CG2 . VAL A 1 388 ? 11.100 -8.230 13.045 1.00 15.20 ? 412 VAL A CG2 1 ATOM 2931 N N . GLU A 1 389 ? 14.609 -11.104 13.431 1.00 16.29 ? 413 GLU A N 1 ATOM 2932 C CA . GLU A 1 389 ? 15.401 -12.218 13.960 1.00 17.78 ? 413 GLU A CA 1 ATOM 2933 C C . GLU A 1 389 ? 16.839 -11.784 14.241 1.00 17.56 ? 413 GLU A C 1 ATOM 2934 O O . GLU A 1 389 ? 17.424 -12.152 15.265 1.00 17.44 ? 413 GLU A O 1 ATOM 2935 C CB . GLU A 1 389 ? 15.341 -13.439 13.024 1.00 17.65 ? 413 GLU A CB 1 ATOM 2936 C CG . GLU A 1 389 ? 16.637 -13.805 12.302 1.00 19.46 ? 413 GLU A CG 1 ATOM 2937 C CD . GLU A 1 389 ? 16.673 -15.259 11.848 1.00 19.67 ? 413 GLU A CD 1 ATOM 2938 O OE1 . GLU A 1 389 ? 15.810 -15.654 11.031 1.00 22.09 ? 413 GLU A OE1 1 ATOM 2939 O OE2 . GLU A 1 389 ? 17.576 -16.001 12.304 1.00 22.45 ? 413 GLU A OE2 1 ATOM 2940 N N . THR A 1 390 ? 17.380 -10.970 13.336 1.00 17.48 ? 414 THR A N 1 ATOM 2941 C CA . THR A 1 390 ? 18.715 -10.407 13.474 1.00 17.58 ? 414 THR A CA 1 ATOM 2942 C C . THR A 1 390 ? 18.873 -9.577 14.752 1.00 17.52 ? 414 THR A C 1 ATOM 2943 O O . THR A 1 390 ? 19.958 -9.544 15.344 1.00 17.79 ? 414 THR A O 1 ATOM 2944 C CB . THR A 1 390 ? 19.063 -9.566 12.231 1.00 17.84 ? 414 THR A CB 1 ATOM 2945 O OG1 . THR A 1 390 ? 19.039 -10.417 11.074 1.00 17.96 ? 414 THR A OG1 1 ATOM 2946 C CG2 . THR A 1 390 ? 20.445 -8.925 12.349 1.00 18.43 ? 414 THR A CG2 1 ATOM 2947 N N . HIS A 1 391 ? 17.793 -8.935 15.198 1.00 16.81 ? 415 HIS A N 1 ATOM 2948 C CA . HIS A 1 391 ? 17.908 -7.979 16.302 1.00 16.45 ? 415 HIS A CA 1 ATOM 2949 C C . HIS A 1 391 ? 17.263 -8.390 17.619 1.00 16.17 ? 415 HIS A C 1 ATOM 2950 O O . HIS A 1 391 ? 17.421 -7.708 18.635 1.00 15.97 ? 415 HIS A O 1 ATOM 2951 C CB . HIS A 1 391 ? 17.479 -6.582 15.845 1.00 16.42 ? 415 HIS A CB 1 ATOM 2952 C CG . HIS A 1 391 ? 18.245 -6.103 14.651 1.00 16.45 ? 415 HIS A CG 1 ATOM 2953 N ND1 . HIS A 1 391 ? 19.596 -5.830 14.699 1.00 16.22 ? 415 HIS A ND1 1 ATOM 2954 C CD2 . HIS A 1 391 ? 17.865 -5.893 13.369 1.00 16.36 ? 415 HIS A CD2 1 ATOM 2955 C CE1 . HIS A 1 391 ? 20.013 -5.461 13.500 1.00 16.31 ? 415 HIS A CE1 1 ATOM 2956 N NE2 . HIS A 1 391 ? 18.981 -5.488 12.675 1.00 15.95 ? 415 HIS A NE2 1 ATOM 2957 N N . ALA A 1 392 ? 16.566 -9.523 17.604 1.00 15.90 ? 416 ALA A N 1 ATOM 2958 C CA . ALA A 1 392 ? 16.104 -10.149 18.842 1.00 15.97 ? 416 ALA A CA 1 ATOM 2959 C C . ALA A 1 392 ? 17.332 -10.662 19.604 1.00 15.89 ? 416 ALA A C 1 ATOM 2960 O O . ALA A 1 392 ? 18.357 -10.973 18.984 1.00 15.66 ? 416 ALA A O 1 ATOM 2961 C CB . ALA A 1 392 ? 15.145 -11.280 18.535 1.00 16.05 ? 416 ALA A CB 1 ATOM 2962 N N . ALA A 1 393 ? 17.248 -10.721 20.933 1.00 15.49 ? 417 ALA A N 1 ATOM 2963 C CA . ALA A 1 393 ? 18.360 -11.241 21.737 1.00 15.95 ? 417 ALA A CA 1 ATOM 2964 C C . ALA A 1 393 ? 18.584 -12.732 21.450 1.00 16.08 ? 417 ALA A C 1 ATOM 2965 O O . ALA A 1 393 ? 17.690 -13.424 20.940 1.00 15.90 ? 417 ALA A O 1 ATOM 2966 C CB . ALA A 1 393 ? 18.118 -11.003 23.226 1.00 15.78 ? 417 ALA A CB 1 ATOM 2967 N N . SER A 1 394 ? 19.778 -13.224 21.775 1.00 16.34 ? 418 SER A N 1 ATOM 2968 C CA . SER A 1 394 ? 20.108 -14.628 21.540 1.00 16.21 ? 418 SER A CA 1 ATOM 2969 C C . SER A 1 394 ? 19.135 -15.581 22.265 1.00 15.90 ? 418 SER A C 1 ATOM 2970 O O . SER A 1 394 ? 18.858 -16.675 21.769 1.00 15.94 ? 418 SER A O 1 ATOM 2971 C CB . SER A 1 394 ? 21.571 -14.917 21.897 1.00 16.64 ? 418 SER A CB 1 ATOM 2972 O OG . SER A 1 394 ? 21.825 -14.649 23.264 1.00 17.75 ? 418 SER A OG 1 ATOM 2973 N N . ASN A 1 395 ? 18.601 -15.157 23.413 1.00 15.07 ? 419 ASN A N 1 ATOM 2974 C CA . ASN A 1 395 ? 17.567 -15.938 24.118 1.00 14.42 ? 419 ASN A CA 1 ATOM 2975 C C . ASN A 1 395 ? 16.125 -15.668 23.639 1.00 13.87 ? 419 ASN A C 1 ATOM 2976 O O . ASN A 1 395 ? 15.155 -16.191 24.201 1.00 13.41 ? 419 ASN A O 1 ATOM 2977 C CB . ASN A 1 395 ? 17.707 -15.827 25.653 1.00 14.76 ? 419 ASN A CB 1 ATOM 2978 C CG . ASN A 1 395 ? 17.334 -14.450 26.213 1.00 15.98 ? 419 ASN A CG 1 ATOM 2979 O OD1 . ASN A 1 395 ? 16.986 -13.514 25.479 1.00 15.02 ? 419 ASN A OD1 1 ATOM 2980 N ND2 . ASN A 1 395 ? 17.394 -14.343 27.545 1.00 18.84 ? 419 ASN A ND2 1 ATOM 2981 N N . GLY A 1 396 ? 16.004 -14.860 22.586 1.00 13.35 ? 420 GLY A N 1 ATOM 2982 C CA . GLY A 1 396 ? 14.707 -14.556 21.982 1.00 12.69 ? 420 GLY A CA 1 ATOM 2983 C C . GLY A 1 396 ? 13.996 -13.317 22.501 1.00 12.56 ? 420 GLY A C 1 ATOM 2984 O O . GLY A 1 396 ? 12.906 -12.992 22.030 1.00 11.83 ? 420 GLY A O 1 ATOM 2985 N N . SER A 1 397 ? 14.594 -12.621 23.466 1.00 12.58 ? 421 SER A N 1 ATOM 2986 C CA . SER A 1 397 ? 13.989 -11.399 24.007 1.00 12.63 ? 421 SER A CA 1 ATOM 2987 C C . SER A 1 397 ? 13.803 -10.336 22.934 1.00 12.31 ? 421 SER A C 1 ATOM 2988 O O . SER A 1 397 ? 14.663 -10.152 22.076 1.00 12.06 ? 421 SER A O 1 ATOM 2989 C CB . SER A 1 397 ? 14.810 -10.827 25.175 1.00 12.44 ? 421 SER A CB 1 ATOM 2990 O OG . SER A 1 397 ? 14.390 -11.368 26.421 1.00 13.83 ? 421 SER A OG 1 ATOM 2991 N N . MET A 1 398 ? 12.663 -9.653 22.990 1.00 12.80 ? 422 MET A N 1 ATOM 2992 C CA . MET A 1 398 ? 12.390 -8.496 22.145 1.00 13.69 ? 422 MET A CA 1 ATOM 2993 C C . MET A 1 398 ? 11.899 -7.318 22.975 1.00 12.88 ? 422 MET A C 1 ATOM 2994 O O . MET A 1 398 ? 10.916 -7.425 23.719 1.00 12.99 ? 422 MET A O 1 ATOM 2995 C CB . MET A 1 398 ? 11.340 -8.819 21.071 1.00 13.73 ? 422 MET A CB 1 ATOM 2996 C CG . MET A 1 398 ? 11.859 -9.610 19.880 1.00 14.99 ? 422 MET A CG 1 ATOM 2997 S SD . MET A 1 398 ? 10.550 -9.920 18.668 1.00 16.69 ? 422 MET A SD 1 ATOM 2998 C CE . MET A 1 398 ? 9.491 -10.967 19.651 1.00 13.22 ? 422 MET A CE 1 ATOM 2999 N N . SER A 1 399 ? 12.616 -6.210 22.834 1.00 12.39 ? 423 SER A N 1 ATOM 3000 C CA A SER A 1 399 ? 12.228 -4.930 23.411 0.50 12.31 ? 423 SER A CA 1 ATOM 3001 C CA B SER A 1 399 ? 12.223 -4.934 23.415 0.50 12.09 ? 423 SER A CA 1 ATOM 3002 C C . SER A 1 399 ? 11.142 -4.274 22.557 1.00 12.03 ? 423 SER A C 1 ATOM 3003 O O . SER A 1 399 ? 10.574 -4.903 21.658 1.00 11.96 ? 423 SER A O 1 ATOM 3004 C CB A SER A 1 399 ? 13.442 -4.006 23.518 0.50 12.13 ? 423 SER A CB 1 ATOM 3005 C CB B SER A 1 399 ? 13.436 -4.018 23.525 0.50 11.86 ? 423 SER A CB 1 ATOM 3006 O OG A SER A 1 399 ? 14.416 -4.529 24.405 0.50 13.07 ? 423 SER A OG 1 ATOM 3007 O OG B SER A 1 399 ? 14.091 -3.912 22.275 0.50 11.47 ? 423 SER A OG 1 ATOM 3008 N N . GLU A 1 400 ? 10.851 -3.008 22.844 1.00 11.68 ? 424 GLU A N 1 ATOM 3009 C CA . GLU A 1 400 ? 9.924 -2.236 22.022 1.00 11.16 ? 424 GLU A CA 1 ATOM 3010 C C . GLU A 1 400 ? 10.609 -1.850 20.713 1.00 10.70 ? 424 GLU A C 1 ATOM 3011 O O . GLU A 1 400 ? 10.028 -1.979 19.631 1.00 10.62 ? 424 GLU A O 1 ATOM 3012 C CB . GLU A 1 400 ? 9.511 -0.990 22.791 1.00 11.12 ? 424 GLU A CB 1 ATOM 3013 C CG . GLU A 1 400 ? 8.525 -0.081 22.089 1.00 12.12 ? 424 GLU A CG 1 ATOM 3014 C CD . GLU A 1 400 ? 8.328 1.201 22.874 1.00 12.30 ? 424 GLU A CD 1 ATOM 3015 O OE1 . GLU A 1 400 ? 9.270 2.025 22.914 1.00 12.90 ? 424 GLU A OE1 1 ATOM 3016 O OE2 . GLU A 1 400 ? 7.249 1.354 23.474 1.00 11.17 ? 424 GLU A OE2 1 ATOM 3017 N N . GLN A 1 401 ? 11.856 -1.388 20.827 1.00 10.13 ? 425 GLN A N 1 ATOM 3018 C CA . GLN A 1 401 ? 12.582 -0.819 19.701 1.00 9.81 ? 425 GLN A CA 1 ATOM 3019 C C . GLN A 1 401 ? 13.947 -1.466 19.475 1.00 10.09 ? 425 GLN A C 1 ATOM 3020 O O . GLN A 1 401 ? 14.533 -2.081 20.379 1.00 9.22 ? 425 GLN A O 1 ATOM 3021 C CB . GLN A 1 401 ? 12.773 0.694 19.904 1.00 9.71 ? 425 GLN A CB 1 ATOM 3022 C CG . GLN A 1 401 ? 11.476 1.478 20.160 1.00 10.17 ? 425 GLN A CG 1 ATOM 3023 C CD . GLN A 1 401 ? 11.699 2.983 20.348 1.00 10.51 ? 425 GLN A CD 1 ATOM 3024 O OE1 . GLN A 1 401 ? 12.557 3.579 19.708 1.00 10.86 ? 425 GLN A OE1 1 ATOM 3025 N NE2 . GLN A 1 401 ? 10.905 3.595 21.229 1.00 11.46 ? 425 GLN A NE2 1 ATOM 3026 N N . TYR A 1 402 ? 14.450 -1.300 18.259 1.00 10.00 ? 426 TYR A N 1 ATOM 3027 C CA . TYR A 1 402 ? 15.846 -1.582 17.960 1.00 10.58 ? 426 TYR A CA 1 ATOM 3028 C C . TYR A 1 402 ? 16.454 -0.391 17.223 1.00 10.89 ? 426 TYR A C 1 ATOM 3029 O O . TYR A 1 402 ? 15.759 0.327 16.506 1.00 10.24 ? 426 TYR A O 1 ATOM 3030 C CB . TYR A 1 402 ? 16.025 -2.924 17.238 1.00 10.44 ? 426 TYR A CB 1 ATOM 3031 C CG . TYR A 1 402 ? 15.267 -3.116 15.945 1.00 10.57 ? 426 TYR A CG 1 ATOM 3032 C CD1 . TYR A 1 402 ? 13.888 -3.388 15.942 1.00 10.81 ? 426 TYR A CD1 1 ATOM 3033 C CD2 . TYR A 1 402 ? 15.933 -3.079 14.724 1.00 9.53 ? 426 TYR A CD2 1 ATOM 3034 C CE1 . TYR A 1 402 ? 13.200 -3.594 14.755 1.00 9.38 ? 426 TYR A CE1 1 ATOM 3035 C CE2 . TYR A 1 402 ? 15.253 -3.283 13.527 1.00 10.63 ? 426 TYR A CE2 1 ATOM 3036 C CZ . TYR A 1 402 ? 13.884 -3.533 13.551 1.00 10.90 ? 426 TYR A CZ 1 ATOM 3037 O OH . TYR A 1 402 ? 13.207 -3.742 12.366 1.00 10.74 ? 426 TYR A OH 1 ATOM 3038 N N . ASP A 1 403 ? 17.751 -0.169 17.437 1.00 11.40 ? 427 ASP A N 1 ATOM 3039 C CA . ASP A 1 403 ? 18.376 1.102 17.110 1.00 12.10 ? 427 ASP A CA 1 ATOM 3040 C C . ASP A 1 403 ? 18.455 1.403 15.610 1.00 12.38 ? 427 ASP A C 1 ATOM 3041 O O . ASP A 1 403 ? 18.801 0.540 14.806 1.00 12.09 ? 427 ASP A O 1 ATOM 3042 C CB . ASP A 1 403 ? 19.752 1.191 17.775 1.00 12.23 ? 427 ASP A CB 1 ATOM 3043 C CG . ASP A 1 403 ? 20.397 2.533 17.595 1.00 12.59 ? 427 ASP A CG 1 ATOM 3044 O OD1 . ASP A 1 403 ? 21.011 2.760 16.528 1.00 14.76 ? 427 ASP A OD1 1 ATOM 3045 O OD2 . ASP A 1 403 ? 20.302 3.357 18.525 1.00 12.39 ? 427 ASP A OD2 1 ATOM 3046 N N . LYS A 1 404 ? 18.132 2.649 15.266 1.00 13.01 ? 428 LYS A N 1 ATOM 3047 C CA . LYS A 1 404 ? 18.117 3.139 13.883 1.00 13.38 ? 428 LYS A CA 1 ATOM 3048 C C . LYS A 1 404 ? 19.463 3.021 13.139 1.00 14.27 ? 428 LYS A C 1 ATOM 3049 O O . LYS A 1 404 ? 19.488 2.913 11.906 1.00 14.01 ? 428 LYS A O 1 ATOM 3050 C CB . LYS A 1 404 ? 17.623 4.593 13.853 1.00 13.52 ? 428 LYS A CB 1 ATOM 3051 C CG . LYS A 1 404 ? 18.551 5.615 14.555 1.00 13.22 ? 428 LYS A CG 1 ATOM 3052 C CD . LYS A 1 404 ? 17.833 6.915 14.882 1.00 13.22 ? 428 LYS A CD 1 ATOM 3053 C CE . LYS A 1 404 ? 17.220 7.568 13.650 1.00 13.54 ? 428 LYS A CE 1 ATOM 3054 N NZ . LYS A 1 404 ? 16.324 8.700 14.045 1.00 13.80 ? 428 LYS A NZ 1 ATOM 3055 N N . SER A 1 405 ? 20.566 3.065 13.887 1.00 15.15 ? 429 SER A N 1 ATOM 3056 C CA . SER A 1 405 ? 21.914 2.943 13.312 1.00 16.14 ? 429 SER A CA 1 ATOM 3057 C C . SER A 1 405 ? 22.484 1.526 13.457 1.00 16.70 ? 429 SER A C 1 ATOM 3058 O O . SER A 1 405 ? 22.915 0.930 12.464 1.00 17.06 ? 429 SER A O 1 ATOM 3059 C CB . SER A 1 405 ? 22.866 3.960 13.944 1.00 16.01 ? 429 SER A CB 1 ATOM 3060 O OG . SER A 1 405 ? 22.413 5.287 13.732 1.00 16.88 ? 429 SER A OG 1 ATOM 3061 N N . ASP A 1 406 ? 22.455 0.984 14.678 1.00 17.20 ? 430 ASP A N 1 ATOM 3062 C CA . ASP A 1 406 ? 23.138 -0.283 14.984 1.00 17.71 ? 430 ASP A CA 1 ATOM 3063 C C . ASP A 1 406 ? 22.248 -1.475 15.365 1.00 17.71 ? 430 ASP A C 1 ATOM 3064 O O . ASP A 1 406 ? 22.757 -2.565 15.643 1.00 17.82 ? 430 ASP A O 1 ATOM 3065 C CB . ASP A 1 406 ? 24.250 -0.071 16.035 1.00 17.84 ? 430 ASP A CB 1 ATOM 3066 C CG . ASP A 1 406 ? 23.723 0.389 17.388 1.00 19.00 ? 430 ASP A CG 1 ATOM 3067 O OD1 . ASP A 1 406 ? 22.575 0.065 17.749 1.00 19.43 ? 430 ASP A OD1 1 ATOM 3068 O OD2 . ASP A 1 406 ? 24.479 1.066 18.118 1.00 20.30 ? 430 ASP A OD2 1 ATOM 3069 N N . GLY A 1 407 ? 20.931 -1.273 15.388 1.00 17.47 ? 431 GLY A N 1 ATOM 3070 C CA . GLY A 1 407 ? 19.993 -2.359 15.679 1.00 16.97 ? 431 GLY A CA 1 ATOM 3071 C C . GLY A 1 407 ? 19.986 -2.883 17.109 1.00 16.92 ? 431 GLY A C 1 ATOM 3072 O O . GLY A 1 407 ? 19.301 -3.866 17.405 1.00 16.63 ? 431 GLY A O 1 ATOM 3073 N N . GLU A 1 408 ? 20.749 -2.239 17.993 1.00 16.80 ? 432 GLU A N 1 ATOM 3074 C CA . GLU A 1 408 ? 20.758 -2.581 19.419 1.00 16.88 ? 432 GLU A CA 1 ATOM 3075 C C . GLU A 1 408 ? 19.384 -2.307 20.031 1.00 16.24 ? 432 GLU A C 1 ATOM 3076 O O . GLU A 1 408 ? 18.762 -1.292 19.730 1.00 15.99 ? 432 GLU A O 1 ATOM 3077 C CB . GLU A 1 408 ? 21.813 -1.760 20.163 1.00 17.23 ? 432 GLU A CB 1 ATOM 3078 C CG . GLU A 1 408 ? 23.249 -2.223 19.934 1.00 19.85 ? 432 GLU A CG 1 ATOM 3079 C CD . GLU A 1 408 ? 23.597 -3.412 20.796 1.00 22.93 ? 432 GLU A CD 1 ATOM 3080 O OE1 . GLU A 1 408 ? 23.532 -4.548 20.285 1.00 24.47 ? 432 GLU A OE1 1 ATOM 3081 O OE2 . GLU A 1 408 ? 23.905 -3.211 21.996 1.00 25.69 ? 432 GLU A OE2 1 ATOM 3082 N N . GLN A 1 409 ? 18.925 -3.204 20.899 1.00 15.69 ? 433 GLN A N 1 ATOM 3083 C CA . GLN A 1 409 ? 17.604 -3.056 21.522 1.00 15.24 ? 433 GLN A CA 1 ATOM 3084 C C . GLN A 1 409 ? 17.558 -1.845 22.451 1.00 14.47 ? 433 GLN A C 1 ATOM 3085 O O . GLN A 1 409 ? 18.510 -1.576 23.186 1.00 13.69 ? 433 GLN A O 1 ATOM 3086 C CB . GLN A 1 409 ? 17.204 -4.331 22.281 1.00 15.22 ? 433 GLN A CB 1 ATOM 3087 C CG . GLN A 1 409 ? 17.084 -5.573 21.402 1.00 16.11 ? 433 GLN A CG 1 ATOM 3088 C CD . GLN A 1 409 ? 16.264 -6.701 22.031 1.00 16.53 ? 433 GLN A CD 1 ATOM 3089 O OE1 . GLN A 1 409 ? 15.993 -6.715 23.238 1.00 17.81 ? 433 GLN A OE1 1 ATOM 3090 N NE2 . GLN A 1 409 ? 15.874 -7.660 21.205 1.00 18.84 ? 433 GLN A NE2 1 ATOM 3091 N N . LEU A 1 410 ? 16.447 -1.117 22.418 1.00 13.74 ? 434 LEU A N 1 ATOM 3092 C CA . LEU A 1 410 ? 16.261 0.024 23.315 1.00 13.50 ? 434 LEU A CA 1 ATOM 3093 C C . LEU A 1 410 ? 14.796 0.216 23.703 1.00 13.17 ? 434 LEU A C 1 ATOM 3094 O O . LEU A 1 410 ? 13.913 -0.518 23.225 1.00 12.50 ? 434 LEU A O 1 ATOM 3095 C CB . LEU A 1 410 ? 16.873 1.313 22.735 1.00 14.12 ? 434 LEU A CB 1 ATOM 3096 C CG . LEU A 1 410 ? 16.303 2.055 21.529 1.00 13.68 ? 434 LEU A CG 1 ATOM 3097 C CD1 . LEU A 1 410 ? 16.969 3.430 21.384 1.00 14.30 ? 434 LEU A CD1 1 ATOM 3098 C CD2 . LEU A 1 410 ? 16.515 1.269 20.277 1.00 13.65 ? 434 LEU A CD2 1 ATOM 3099 N N . SER A 1 411 ? 14.558 1.197 24.574 1.00 12.29 ? 435 SER A N 1 ATOM 3100 C CA . SER A 1 411 ? 13.256 1.400 25.217 1.00 12.11 ? 435 SER A CA 1 ATOM 3101 C C . SER A 1 411 ? 12.877 0.176 26.063 1.00 11.89 ? 435 SER A C 1 ATOM 3102 O O . SER A 1 411 ? 13.768 -0.544 26.531 1.00 11.55 ? 435 SER A O 1 ATOM 3103 C CB . SER A 1 411 ? 12.166 1.774 24.199 1.00 11.69 ? 435 SER A CB 1 ATOM 3104 O OG . SER A 1 411 ? 10.986 2.188 24.878 1.00 12.56 ? 435 SER A OG 1 ATOM 3105 N N . ALA A 1 412 ? 11.576 -0.049 26.277 1.00 11.73 ? 436 ALA A N 1 ATOM 3106 C CA . ALA A 1 412 ? 11.107 -1.072 27.221 1.00 11.46 ? 436 ALA A CA 1 ATOM 3107 C C . ALA A 1 412 ? 11.509 -2.495 26.827 1.00 11.23 ? 436 ALA A C 1 ATOM 3108 O O . ALA A 1 412 ? 11.253 -2.939 25.707 1.00 10.89 ? 436 ALA A O 1 ATOM 3109 C CB . ALA A 1 412 ? 9.598 -0.977 27.412 1.00 11.94 ? 436 ALA A CB 1 ATOM 3110 N N . ARG A 1 413 ? 12.147 -3.205 27.755 1.00 10.50 ? 437 ARG A N 1 ATOM 3111 C CA . ARG A 1 413 ? 12.541 -4.596 27.508 1.00 9.91 ? 437 ARG A CA 1 ATOM 3112 C C . ARG A 1 413 ? 11.327 -5.516 27.520 1.00 10.10 ? 437 ARG A C 1 ATOM 3113 O O . ARG A 1 413 ? 10.339 -5.246 28.216 1.00 9.25 ? 437 ARG A O 1 ATOM 3114 C CB . ARG A 1 413 ? 13.551 -5.068 28.568 1.00 10.19 ? 437 ARG A CB 1 ATOM 3115 C CG . ARG A 1 413 ? 12.949 -5.280 29.960 1.00 9.76 ? 437 ARG A CG 1 ATOM 3116 C CD . ARG A 1 413 ? 14.011 -5.746 30.968 1.00 9.88 ? 437 ARG A CD 1 ATOM 3117 N NE . ARG A 1 413 ? 13.476 -5.739 32.333 1.00 11.88 ? 437 ARG A NE 1 ATOM 3118 C CZ . ARG A 1 413 ? 13.481 -4.688 33.153 1.00 12.01 ? 437 ARG A CZ 1 ATOM 3119 N NH1 . ARG A 1 413 ? 13.997 -3.520 32.771 1.00 12.35 ? 437 ARG A NH1 1 ATOM 3120 N NH2 . ARG A 1 413 ? 12.951 -4.802 34.361 1.00 11.28 ? 437 ARG A NH2 1 ATOM 3121 N N . ASP A 1 414 ? 11.404 -6.608 26.759 1.00 10.30 ? 438 ASP A N 1 ATOM 3122 C CA . ASP A 1 414 ? 10.408 -7.679 26.874 1.00 10.73 ? 438 ASP A CA 1 ATOM 3123 C C . ASP A 1 414 ? 8.980 -7.144 26.730 1.00 10.53 ? 438 ASP A C 1 ATOM 3124 O O . ASP A 1 414 ? 8.105 -7.373 27.584 1.00 10.28 ? 438 ASP A O 1 ATOM 3125 C CB . ASP A 1 414 ? 10.605 -8.438 28.194 1.00 10.75 ? 438 ASP A CB 1 ATOM 3126 C CG . ASP A 1 414 ? 11.896 -9.238 28.207 1.00 11.56 ? 438 ASP A CG 1 ATOM 3127 O OD1 . ASP A 1 414 ? 12.063 -10.098 27.313 1.00 12.04 ? 438 ASP A OD1 1 ATOM 3128 O OD2 . ASP A 1 414 ? 12.745 -9.004 29.097 1.00 11.79 ? 438 ASP A OD2 1 ATOM 3129 N N . LEU A 1 415 ? 8.762 -6.406 25.649 1.00 10.39 ? 439 LEU A N 1 ATOM 3130 C CA . LEU A 1 415 ? 7.464 -5.797 25.400 1.00 10.15 ? 439 LEU A CA 1 ATOM 3131 C C . LEU A 1 415 ? 6.475 -6.879 24.974 1.00 10.03 ? 439 LEU A C 1 ATOM 3132 O O . LEU A 1 415 ? 6.677 -7.549 23.965 1.00 10.46 ? 439 LEU A O 1 ATOM 3133 C CB . LEU A 1 415 ? 7.575 -4.692 24.344 1.00 10.64 ? 439 LEU A CB 1 ATOM 3134 C CG . LEU A 1 415 ? 6.321 -3.822 24.165 1.00 10.74 ? 439 LEU A CG 1 ATOM 3135 C CD1 . LEU A 1 415 ? 6.204 -2.795 25.301 1.00 11.20 ? 439 LEU A CD1 1 ATOM 3136 C CD2 . LEU A 1 415 ? 6.310 -3.130 22.797 1.00 9.87 ? 439 LEU A CD2 1 ATOM 3137 N N . THR A 1 416 ? 5.426 -7.060 25.774 1.00 9.91 ? 440 THR A N 1 ATOM 3138 C CA . THR A 1 416 ? 4.407 -8.097 25.542 1.00 9.48 ? 440 THR A CA 1 ATOM 3139 C C . THR A 1 416 ? 3.859 -8.027 24.111 1.00 9.46 ? 440 THR A C 1 ATOM 3140 O O . THR A 1 416 ? 3.706 -9.055 23.443 1.00 8.41 ? 440 THR A O 1 ATOM 3141 C CB . THR A 1 416 ? 3.247 -7.977 26.579 1.00 9.42 ? 440 THR A CB 1 ATOM 3142 O OG1 . THR A 1 416 ? 3.822 -7.800 27.880 1.00 9.68 ? 440 THR A OG1 1 ATOM 3143 C CG2 . THR A 1 416 ? 2.389 -9.242 26.608 1.00 9.11 ? 440 THR A CG2 1 ATOM 3144 N N . TRP A 1 417 ? 3.571 -6.813 23.651 1.00 9.23 ? 441 TRP A N 1 ATOM 3145 C CA . TRP A 1 417 ? 3.027 -6.606 22.310 1.00 9.34 ? 441 TRP A CA 1 ATOM 3146 C C . TRP A 1 417 ? 4.031 -7.034 21.217 1.00 9.13 ? 441 TRP A C 1 ATOM 3147 O O . TRP A 1 417 ? 3.629 -7.536 20.170 1.00 8.61 ? 441 TRP A O 1 ATOM 3148 C CB . TRP A 1 417 ? 2.597 -5.141 22.148 1.00 10.03 ? 441 TRP A CB 1 ATOM 3149 C CG . TRP A 1 417 ? 1.867 -4.776 20.858 1.00 10.26 ? 441 TRP A CG 1 ATOM 3150 C CD1 . TRP A 1 417 ? 1.616 -5.580 19.781 1.00 10.78 ? 441 TRP A CD1 1 ATOM 3151 C CD2 . TRP A 1 417 ? 1.350 -3.486 20.518 1.00 10.61 ? 441 TRP A CD2 1 ATOM 3152 N NE1 . TRP A 1 417 ? 0.968 -4.879 18.800 1.00 9.39 ? 441 TRP A NE1 1 ATOM 3153 C CE2 . TRP A 1 417 ? 0.793 -3.588 19.221 1.00 11.17 ? 441 TRP A CE2 1 ATOM 3154 C CE3 . TRP A 1 417 ? 1.294 -2.256 21.188 1.00 10.59 ? 441 TRP A CE3 1 ATOM 3155 C CZ2 . TRP A 1 417 ? 0.180 -2.502 18.576 1.00 10.43 ? 441 TRP A CZ2 1 ATOM 3156 C CZ3 . TRP A 1 417 ? 0.693 -1.170 20.544 1.00 10.94 ? 441 TRP A CZ3 1 ATOM 3157 C CH2 . TRP A 1 417 ? 0.140 -1.305 19.248 1.00 10.88 ? 441 TRP A CH2 1 ATOM 3158 N N . SER A 1 418 ? 5.331 -6.862 21.452 1.00 8.62 ? 442 SER A N 1 ATOM 3159 C CA . SER A 1 418 ? 6.315 -7.413 20.505 1.00 8.81 ? 442 SER A CA 1 ATOM 3160 C C . SER A 1 418 ? 6.171 -8.947 20.366 1.00 8.34 ? 442 SER A C 1 ATOM 3161 O O . SER A 1 418 ? 6.222 -9.505 19.260 1.00 7.74 ? 442 SER A O 1 ATOM 3162 C CB . SER A 1 418 ? 7.757 -7.023 20.885 1.00 8.45 ? 442 SER A CB 1 ATOM 3163 O OG . SER A 1 418 ? 7.980 -5.628 20.736 1.00 9.66 ? 442 SER A OG 1 ATOM 3164 N N . TYR A 1 419 ? 5.974 -9.624 21.490 1.00 8.48 ? 443 TYR A N 1 ATOM 3165 C CA . TYR A 1 419 ? 5.802 -11.077 21.479 1.00 8.39 ? 443 TYR A CA 1 ATOM 3166 C C . TYR A 1 419 ? 4.535 -11.506 20.739 1.00 8.40 ? 443 TYR A C 1 ATOM 3167 O O . TYR A 1 419 ? 4.584 -12.438 19.940 1.00 8.34 ? 443 TYR A O 1 ATOM 3168 C CB . TYR A 1 419 ? 5.857 -11.650 22.895 1.00 8.78 ? 443 TYR A CB 1 ATOM 3169 C CG . TYR A 1 419 ? 7.223 -11.462 23.527 1.00 9.66 ? 443 TYR A CG 1 ATOM 3170 C CD1 . TYR A 1 419 ? 8.356 -12.021 22.943 1.00 10.84 ? 443 TYR A CD1 1 ATOM 3171 C CD2 . TYR A 1 419 ? 7.378 -10.719 24.691 1.00 10.68 ? 443 TYR A CD2 1 ATOM 3172 C CE1 . TYR A 1 419 ? 9.624 -11.853 23.512 1.00 10.83 ? 443 TYR A CE1 1 ATOM 3173 C CE2 . TYR A 1 419 ? 8.637 -10.527 25.258 1.00 9.55 ? 443 TYR A CE2 1 ATOM 3174 C CZ . TYR A 1 419 ? 9.746 -11.100 24.667 1.00 9.92 ? 443 TYR A CZ 1 ATOM 3175 O OH . TYR A 1 419 ? 10.980 -10.918 25.215 1.00 9.54 ? 443 TYR A OH 1 ATOM 3176 N N . ALA A 1 420 ? 3.435 -10.797 20.979 1.00 8.03 ? 444 ALA A N 1 ATOM 3177 C CA . ALA A 1 420 ? 2.154 -11.083 20.316 1.00 8.32 ? 444 ALA A CA 1 ATOM 3178 C C . ALA A 1 420 ? 2.254 -10.874 18.803 1.00 8.54 ? 444 ALA A C 1 ATOM 3179 O O . ALA A 1 420 ? 1.769 -11.698 18.025 1.00 8.47 ? 444 ALA A O 1 ATOM 3180 C CB . ALA A 1 420 ? 1.046 -10.242 20.913 1.00 8.55 ? 444 ALA A CB 1 ATOM 3181 N N . ALA A 1 421 ? 2.931 -9.805 18.392 1.00 8.15 ? 445 ALA A N 1 ATOM 3182 C CA . ALA A 1 421 ? 3.162 -9.530 16.966 1.00 8.76 ? 445 ALA A CA 1 ATOM 3183 C C . ALA A 1 421 ? 3.939 -10.651 16.277 1.00 9.28 ? 445 ALA A C 1 ATOM 3184 O O . ALA A 1 421 ? 3.682 -10.973 15.106 1.00 8.89 ? 445 ALA A O 1 ATOM 3185 C CB . ALA A 1 421 ? 3.884 -8.221 16.799 1.00 8.42 ? 445 ALA A CB 1 ATOM 3186 N N . LEU A 1 422 ? 4.908 -11.218 16.993 1.00 9.54 ? 446 LEU A N 1 ATOM 3187 C CA A LEU A 1 422 ? 5.710 -12.311 16.458 0.50 9.87 ? 446 LEU A CA 1 ATOM 3188 C CA B LEU A 1 422 ? 5.703 -12.307 16.458 0.50 10.08 ? 446 LEU A CA 1 ATOM 3189 C C . LEU A 1 422 ? 4.832 -13.534 16.220 1.00 10.06 ? 446 LEU A C 1 ATOM 3190 O O . LEU A 1 422 ? 4.899 -14.145 15.152 1.00 9.83 ? 446 LEU A O 1 ATOM 3191 C CB A LEU A 1 422 ? 6.882 -12.658 17.391 0.50 9.79 ? 446 LEU A CB 1 ATOM 3192 C CB B LEU A 1 422 ? 6.866 -12.642 17.390 0.50 10.17 ? 446 LEU A CB 1 ATOM 3193 C CG A LEU A 1 422 ? 7.990 -13.624 16.925 0.50 10.19 ? 446 LEU A CG 1 ATOM 3194 C CG B LEU A 1 422 ? 7.845 -13.671 16.830 0.50 11.55 ? 446 LEU A CG 1 ATOM 3195 C CD1 A LEU A 1 422 ? 7.554 -15.086 17.019 0.50 11.53 ? 446 LEU A CD1 1 ATOM 3196 C CD1 B LEU A 1 422 ? 9.259 -13.183 16.993 0.50 12.26 ? 446 LEU A CD1 1 ATOM 3197 C CD2 A LEU A 1 422 ? 8.510 -13.310 15.516 0.50 10.03 ? 446 LEU A CD2 1 ATOM 3198 C CD2 B LEU A 1 422 ? 7.640 -15.027 17.485 0.50 13.08 ? 446 LEU A CD2 1 ATOM 3199 N N . LEU A 1 423 ? 4.029 -13.877 17.226 1.00 9.89 ? 447 LEU A N 1 ATOM 3200 C CA . LEU A 1 423 ? 3.133 -15.028 17.172 1.00 10.55 ? 447 LEU A CA 1 ATOM 3201 C C . LEU A 1 423 ? 2.097 -14.906 16.058 1.00 10.80 ? 447 LEU A C 1 ATOM 3202 O O . LEU A 1 423 ? 1.825 -15.888 15.356 1.00 10.41 ? 447 LEU A O 1 ATOM 3203 C CB . LEU A 1 423 ? 2.438 -15.244 18.521 1.00 10.38 ? 447 LEU A CB 1 ATOM 3204 C CG . LEU A 1 423 ? 3.338 -15.845 19.608 1.00 11.55 ? 447 LEU A CG 1 ATOM 3205 C CD1 . LEU A 1 423 ? 2.746 -15.634 20.979 1.00 12.28 ? 447 LEU A CD1 1 ATOM 3206 C CD2 . LEU A 1 423 ? 3.610 -17.324 19.362 1.00 11.47 ? 447 LEU A CD2 1 ATOM 3207 N N . THR A 1 424 ? 1.527 -13.710 15.889 1.00 11.15 ? 448 THR A N 1 ATOM 3208 C CA . THR A 1 424 ? 0.554 -13.512 14.805 1.00 11.04 ? 448 THR A CA 1 ATOM 3209 C C . THR A 1 424 ? 1.220 -13.555 13.424 1.00 11.10 ? 448 THR A C 1 ATOM 3210 O O . THR A 1 424 ? 0.696 -14.193 12.505 1.00 10.83 ? 448 THR A O 1 ATOM 3211 C CB . THR A 1 424 ? -0.331 -12.248 14.977 1.00 11.67 ? 448 THR A CB 1 ATOM 3212 O OG1 . THR A 1 424 ? 0.482 -11.072 14.978 1.00 12.42 ? 448 THR A OG1 1 ATOM 3213 C CG2 . THR A 1 424 ? -1.139 -12.316 16.267 1.00 12.05 ? 448 THR A CG2 1 ATOM 3214 N N . ALA A 1 425 ? 2.377 -12.905 13.286 1.00 10.83 ? 449 ALA A N 1 ATOM 3215 C CA . ALA A 1 425 ? 3.099 -12.886 12.002 1.00 10.88 ? 449 ALA A CA 1 ATOM 3216 C C . ALA A 1 425 ? 3.492 -14.305 11.583 1.00 11.13 ? 449 ALA A C 1 ATOM 3217 O O . ALA A 1 425 ? 3.261 -14.712 10.439 1.00 10.36 ? 449 ALA A O 1 ATOM 3218 C CB . ALA A 1 425 ? 4.314 -12.001 12.072 1.00 10.61 ? 449 ALA A CB 1 ATOM 3219 N N . ASN A 1 426 ? 4.077 -15.044 12.524 1.00 11.13 ? 450 ASN A N 1 ATOM 3220 C CA . ASN A 1 426 ? 4.433 -16.451 12.315 1.00 11.82 ? 450 ASN A CA 1 ATOM 3221 C C . ASN A 1 426 ? 3.224 -17.321 11.921 1.00 11.65 ? 450 ASN A C 1 ATOM 3222 O O . ASN A 1 426 ? 3.313 -18.121 10.993 1.00 11.21 ? 450 ASN A O 1 ATOM 3223 C CB . ASN A 1 426 ? 5.121 -17.018 13.571 1.00 11.85 ? 450 ASN A CB 1 ATOM 3224 C CG . ASN A 1 426 ? 5.632 -18.437 13.374 1.00 13.49 ? 450 ASN A CG 1 ATOM 3225 O OD1 . ASN A 1 426 ? 5.219 -19.363 14.079 1.00 15.78 ? 450 ASN A OD1 1 ATOM 3226 N ND2 . ASN A 1 426 ? 6.517 -18.617 12.409 1.00 13.64 ? 450 ASN A ND2 1 ATOM 3227 N N . ASN A 1 427 ? 2.104 -17.156 12.623 1.00 11.71 ? 451 ASN A N 1 ATOM 3228 C CA . ASN A 1 427 ? 0.865 -17.864 12.277 1.00 12.58 ? 451 ASN A CA 1 ATOM 3229 C C . ASN A 1 427 ? 0.410 -17.626 10.834 1.00 12.46 ? 451 ASN A C 1 ATOM 3230 O O . ASN A 1 427 ? 0.144 -18.580 10.112 1.00 12.48 ? 451 ASN A O 1 ATOM 3231 C CB . ASN A 1 427 ? -0.269 -17.514 13.249 1.00 12.71 ? 451 ASN A CB 1 ATOM 3232 C CG . ASN A 1 427 ? -0.454 -18.559 14.352 1.00 16.29 ? 451 ASN A CG 1 ATOM 3233 O OD1 . ASN A 1 427 ? -1.546 -18.690 14.908 1.00 20.22 ? 451 ASN A OD1 1 ATOM 3234 N ND2 . ASN A 1 427 ? 0.601 -19.318 14.655 1.00 17.18 ? 451 ASN A ND2 1 ATOM 3235 N N . ARG A 1 428 ? 0.324 -16.359 10.415 1.00 12.55 ? 452 ARG A N 1 ATOM 3236 C CA . ARG A 1 428 ? -0.152 -16.040 9.063 1.00 12.49 ? 452 ARG A CA 1 ATOM 3237 C C . ARG A 1 428 ? 0.805 -16.559 7.999 1.00 13.04 ? 452 ARG A C 1 ATOM 3238 O O . ARG A 1 428 ? 0.380 -16.955 6.917 1.00 12.44 ? 452 ARG A O 1 ATOM 3239 C CB . ARG A 1 428 ? -0.382 -14.536 8.870 1.00 12.41 ? 452 ARG A CB 1 ATOM 3240 C CG . ARG A 1 428 ? -1.296 -13.890 9.909 1.00 12.29 ? 452 ARG A CG 1 ATOM 3241 C CD . ARG A 1 428 ? -2.783 -14.297 9.824 1.00 12.08 ? 452 ARG A CD 1 ATOM 3242 N NE . ARG A 1 428 ? -3.460 -13.556 10.879 1.00 12.24 ? 452 ARG A NE 1 ATOM 3243 C CZ . ARG A 1 428 ? -3.605 -13.969 12.135 1.00 13.11 ? 452 ARG A CZ 1 ATOM 3244 N NH1 . ARG A 1 428 ? -3.212 -15.185 12.499 1.00 13.26 ? 452 ARG A NH1 1 ATOM 3245 N NH2 . ARG A 1 428 ? -4.183 -13.167 13.026 1.00 13.58 ? 452 ARG A NH2 1 ATOM 3246 N N . ARG A 1 429 ? 2.098 -16.540 8.312 1.00 13.57 ? 453 ARG A N 1 ATOM 3247 C CA . ARG A 1 429 ? 3.108 -17.146 7.454 1.00 14.41 ? 453 ARG A CA 1 ATOM 3248 C C . ARG A 1 429 ? 2.834 -18.643 7.254 1.00 14.88 ? 453 ARG A C 1 ATOM 3249 O O . ARG A 1 429 ? 3.070 -19.186 6.178 1.00 14.73 ? 453 ARG A O 1 ATOM 3250 C CB . ARG A 1 429 ? 4.498 -16.922 8.046 1.00 14.57 ? 453 ARG A CB 1 ATOM 3251 C CG . ARG A 1 429 ? 5.623 -17.467 7.196 1.00 15.62 ? 453 ARG A CG 1 ATOM 3252 C CD . ARG A 1 429 ? 6.967 -17.184 7.829 1.00 18.40 ? 453 ARG A CD 1 ATOM 3253 N NE . ARG A 1 429 ? 8.052 -17.513 6.910 1.00 20.74 ? 453 ARG A NE 1 ATOM 3254 C CZ . ARG A 1 429 ? 8.646 -18.700 6.846 1.00 23.34 ? 453 ARG A CZ 1 ATOM 3255 N NH1 . ARG A 1 429 ? 8.266 -19.683 7.657 1.00 25.01 ? 453 ARG A NH1 1 ATOM 3256 N NH2 . ARG A 1 429 ? 9.621 -18.908 5.969 1.00 23.68 ? 453 ARG A NH2 1 ATOM 3257 N N . ASN A 1 430 ? 2.322 -19.287 8.300 1.00 15.76 ? 454 ASN A N 1 ATOM 3258 C CA . ASN A 1 430 ? 1.946 -20.700 8.270 1.00 16.33 ? 454 ASN A CA 1 ATOM 3259 C C . ASN A 1 430 ? 0.516 -20.932 7.770 1.00 15.90 ? 454 ASN A C 1 ATOM 3260 O O . ASN A 1 430 ? -0.024 -22.022 7.927 1.00 15.96 ? 454 ASN A O 1 ATOM 3261 C CB . ASN A 1 430 ? 2.114 -21.312 9.672 1.00 16.55 ? 454 ASN A CB 1 ATOM 3262 C CG . ASN A 1 430 ? 3.566 -21.309 10.151 1.00 18.30 ? 454 ASN A CG 1 ATOM 3263 O OD1 . ASN A 1 430 ? 4.496 -21.188 9.359 1.00 19.17 ? 454 ASN A OD1 1 ATOM 3264 N ND2 . ASN A 1 430 ? 3.759 -21.455 11.467 1.00 19.50 ? 454 ASN A ND2 1 ATOM 3265 N N . SER A 1 431 ? -0.085 -19.902 7.171 1.00 15.77 ? 455 SER A N 1 ATOM 3266 C CA . SER A 1 431 ? -1.487 -19.921 6.724 1.00 15.89 ? 455 SER A CA 1 ATOM 3267 C C . SER A 1 431 ? -2.497 -20.185 7.853 1.00 15.69 ? 455 SER A C 1 ATOM 3268 O O . SER A 1 431 ? -3.598 -20.682 7.606 1.00 15.86 ? 455 SER A O 1 ATOM 3269 C CB . SER A 1 431 ? -1.696 -20.897 5.551 1.00 15.62 ? 455 SER A CB 1 ATOM 3270 O OG . SER A 1 431 ? -0.863 -20.558 4.456 1.00 17.63 ? 455 SER A OG 1 ATOM 3271 N N . VAL A 1 432 ? -2.121 -19.848 9.086 1.00 15.76 ? 456 VAL A N 1 ATOM 3272 C CA . VAL A 1 432 ? -3.018 -20.000 10.232 1.00 15.77 ? 456 VAL A CA 1 ATOM 3273 C C . VAL A 1 432 ? -3.716 -18.668 10.474 1.00 15.72 ? 456 VAL A C 1 ATOM 3274 O O . VAL A 1 432 ? -3.075 -17.680 10.826 1.00 15.68 ? 456 VAL A O 1 ATOM 3275 C CB . VAL A 1 432 ? -2.281 -20.451 11.525 1.00 15.76 ? 456 VAL A CB 1 ATOM 3276 C CG1 . VAL A 1 432 ? -3.271 -20.600 12.664 1.00 16.24 ? 456 VAL A CG1 1 ATOM 3277 C CG2 . VAL A 1 432 ? -1.529 -21.767 11.304 1.00 16.20 ? 456 VAL A CG2 1 ATOM 3278 N N . VAL A 1 433 ? -5.031 -18.659 10.286 1.00 15.81 ? 457 VAL A N 1 ATOM 3279 C CA . VAL A 1 433 ? -5.818 -17.420 10.266 1.00 15.94 ? 457 VAL A CA 1 ATOM 3280 C C . VAL A 1 433 ? -6.853 -17.396 11.392 1.00 16.19 ? 457 VAL A C 1 ATOM 3281 O O . VAL A 1 433 ? -7.231 -18.457 11.898 1.00 16.35 ? 457 VAL A O 1 ATOM 3282 C CB . VAL A 1 433 ? -6.485 -17.194 8.875 1.00 15.77 ? 457 VAL A CB 1 ATOM 3283 C CG1 . VAL A 1 433 ? -5.416 -16.893 7.829 1.00 15.71 ? 457 VAL A CG1 1 ATOM 3284 C CG2 . VAL A 1 433 ? -7.332 -18.404 8.459 1.00 15.58 ? 457 VAL A CG2 1 ATOM 3285 N N . PRO A 1 434 ? -7.286 -16.187 11.815 1.00 16.28 ? 458 PRO A N 1 ATOM 3286 C CA . PRO A 1 434 ? -8.277 -16.102 12.886 1.00 16.50 ? 458 PRO A CA 1 ATOM 3287 C C . PRO A 1 434 ? -9.704 -16.335 12.383 1.00 16.53 ? 458 PRO A C 1 ATOM 3288 O O . PRO A 1 434 ? -9.919 -16.453 11.178 1.00 16.68 ? 458 PRO A O 1 ATOM 3289 C CB . PRO A 1 434 ? -8.104 -14.672 13.414 1.00 16.55 ? 458 PRO A CB 1 ATOM 3290 C CG . PRO A 1 434 ? -7.545 -13.893 12.281 1.00 16.58 ? 458 PRO A CG 1 ATOM 3291 C CD . PRO A 1 434 ? -6.863 -14.856 11.334 1.00 16.21 ? 458 PRO A CD 1 ATOM 3292 N N . ALA A 1 435 ? -10.665 -16.408 13.301 1.00 16.57 ? 459 ALA A N 1 ATOM 3293 C CA . ALA A 1 435 ? -12.075 -16.490 12.926 1.00 16.31 ? 459 ALA A CA 1 ATOM 3294 C C . ALA A 1 435 ? -12.479 -15.259 12.114 1.00 16.31 ? 459 ALA A C 1 ATOM 3295 O O . ALA A 1 435 ? -11.944 -14.163 12.307 1.00 15.53 ? 459 ALA A O 1 ATOM 3296 C CB . ALA A 1 435 ? -12.963 -16.630 14.165 1.00 16.44 ? 459 ALA A CB 1 ATOM 3297 N N . SER A 1 436 ? -13.411 -15.463 11.190 1.00 16.00 ? 460 SER A N 1 ATOM 3298 C CA . SER A 1 436 ? -13.994 -14.378 10.418 1.00 16.05 ? 460 SER A CA 1 ATOM 3299 C C . SER A 1 436 ? -14.736 -13.419 11.343 1.00 15.94 ? 460 SER A C 1 ATOM 3300 O O . SER A 1 436 ? -15.190 -13.824 12.419 1.00 16.11 ? 460 SER A O 1 ATOM 3301 C CB . SER A 1 436 ? -14.965 -14.960 9.392 1.00 16.46 ? 460 SER A CB 1 ATOM 3302 O OG . SER A 1 436 ? -15.809 -13.953 8.873 1.00 16.62 ? 460 SER A OG 1 ATOM 3303 N N . TRP A 1 437 ? -14.853 -12.152 10.940 1.00 15.52 ? 461 TRP A N 1 ATOM 3304 C CA . TRP A 1 437 ? -15.635 -11.200 11.728 1.00 15.57 ? 461 TRP A CA 1 ATOM 3305 C C . TRP A 1 437 ? -16.890 -10.654 11.038 1.00 15.86 ? 461 TRP A C 1 ATOM 3306 O O . TRP A 1 437 ? -17.595 -9.825 11.611 1.00 15.87 ? 461 TRP A O 1 ATOM 3307 C CB . TRP A 1 437 ? -14.767 -10.063 12.297 1.00 14.56 ? 461 TRP A CB 1 ATOM 3308 C CG . TRP A 1 437 ? -14.023 -9.230 11.294 1.00 13.86 ? 461 TRP A CG 1 ATOM 3309 C CD1 . TRP A 1 437 ? -12.734 -9.411 10.878 1.00 12.93 ? 461 TRP A CD1 1 ATOM 3310 C CD2 . TRP A 1 437 ? -14.495 -8.043 10.633 1.00 14.26 ? 461 TRP A CD2 1 ATOM 3311 N NE1 . TRP A 1 437 ? -12.382 -8.430 9.978 1.00 12.89 ? 461 TRP A NE1 1 ATOM 3312 C CE2 . TRP A 1 437 ? -13.442 -7.577 9.810 1.00 13.56 ? 461 TRP A CE2 1 ATOM 3313 C CE3 . TRP A 1 437 ? -15.712 -7.341 10.639 1.00 12.84 ? 461 TRP A CE3 1 ATOM 3314 C CZ2 . TRP A 1 437 ? -13.566 -6.436 9.005 1.00 13.44 ? 461 TRP A CZ2 1 ATOM 3315 C CZ3 . TRP A 1 437 ? -15.834 -6.208 9.839 1.00 13.17 ? 461 TRP A CZ3 1 ATOM 3316 C CH2 . TRP A 1 437 ? -14.767 -5.769 9.035 1.00 13.65 ? 461 TRP A CH2 1 ATOM 3317 N N . GLY A 1 438 ? -17.163 -11.129 9.825 1.00 16.49 ? 462 GLY A N 1 ATOM 3318 C CA . GLY A 1 438 ? -18.392 -10.769 9.107 1.00 17.00 ? 462 GLY A CA 1 ATOM 3319 C C . GLY A 1 438 ? -18.205 -9.694 8.055 1.00 17.30 ? 462 GLY A C 1 ATOM 3320 O O . GLY A 1 438 ? -19.182 -9.136 7.546 1.00 17.14 ? 462 GLY A O 1 ATOM 3321 N N . GLU A 1 439 ? -16.948 -9.420 7.712 1.00 17.44 ? 463 GLU A N 1 ATOM 3322 C CA . GLU A 1 439 ? -16.600 -8.407 6.712 1.00 17.84 ? 463 GLU A CA 1 ATOM 3323 C C . GLU A 1 439 ? -17.374 -8.563 5.398 1.00 18.13 ? 463 GLU A C 1 ATOM 3324 O O . GLU A 1 439 ? -17.682 -7.568 4.750 1.00 17.93 ? 463 GLU A O 1 ATOM 3325 C CB . GLU A 1 439 ? -15.085 -8.423 6.443 1.00 17.70 ? 463 GLU A CB 1 ATOM 3326 C CG . GLU A 1 439 ? -14.551 -7.262 5.607 1.00 17.78 ? 463 GLU A CG 1 ATOM 3327 C CD . GLU A 1 439 ? -14.702 -7.450 4.089 1.00 18.43 ? 463 GLU A CD 1 ATOM 3328 O OE1 . GLU A 1 439 ? -15.129 -8.532 3.628 1.00 18.88 ? 463 GLU A OE1 1 ATOM 3329 O OE2 . GLU A 1 439 ? -14.381 -6.504 3.350 1.00 17.92 ? 463 GLU A OE2 1 ATOM 3330 N N . THR A 1 440 ? -17.665 -9.806 5.004 1.00 18.68 ? 464 THR A N 1 ATOM 3331 C CA . THR A 1 440 ? -18.302 -10.081 3.703 1.00 19.29 ? 464 THR A CA 1 ATOM 3332 C C . THR A 1 440 ? -19.720 -9.511 3.592 1.00 19.77 ? 464 THR A C 1 ATOM 3333 O O . THR A 1 440 ? -20.240 -9.345 2.483 1.00 20.06 ? 464 THR A O 1 ATOM 3334 C CB . THR A 1 440 ? -18.347 -11.597 3.371 1.00 19.23 ? 464 THR A CB 1 ATOM 3335 O OG1 . THR A 1 440 ? -19.083 -12.292 4.386 1.00 19.56 ? 464 THR A OG1 1 ATOM 3336 C CG2 . THR A 1 440 ? -16.933 -12.182 3.257 1.00 19.33 ? 464 THR A CG2 1 ATOM 3337 N N . SER A 1 441 ? -20.350 -9.246 4.736 1.00 20.23 ? 465 SER A N 1 ATOM 3338 C CA . SER A 1 441 ? -21.631 -8.529 4.758 1.00 21.08 ? 465 SER A CA 1 ATOM 3339 C C . SER A 1 441 ? -21.549 -7.206 5.549 1.00 21.21 ? 465 SER A C 1 ATOM 3340 O O . SER A 1 441 ? -22.540 -6.729 6.109 1.00 21.27 ? 465 SER A O 1 ATOM 3341 C CB . SER A 1 441 ? -22.768 -9.434 5.244 1.00 20.90 ? 465 SER A CB 1 ATOM 3342 O OG . SER A 1 441 ? -22.539 -9.897 6.559 1.00 22.52 ? 465 SER A OG 1 ATOM 3343 N N . ALA A 1 442 ? -20.358 -6.609 5.561 1.00 21.41 ? 466 ALA A N 1 ATOM 3344 C CA . ALA A 1 442 ? -20.133 -5.333 6.238 1.00 21.72 ? 466 ALA A CA 1 ATOM 3345 C C . ALA A 1 442 ? -19.060 -4.501 5.537 1.00 21.84 ? 466 ALA A C 1 ATOM 3346 O O . ALA A 1 442 ? -18.214 -3.885 6.187 1.00 21.75 ? 466 ALA A O 1 ATOM 3347 C CB . ALA A 1 442 ? -19.770 -5.569 7.698 1.00 21.66 ? 466 ALA A CB 1 ATOM 3348 N N . SER A 1 443 ? -19.103 -4.489 4.207 1.00 22.25 ? 467 SER A N 1 ATOM 3349 C CA . SER A 1 443 ? -18.159 -3.717 3.399 1.00 22.74 ? 467 SER A CA 1 ATOM 3350 C C . SER A 1 443 ? -18.883 -2.719 2.482 1.00 22.81 ? 467 SER A C 1 ATOM 3351 O O . SER A 1 443 ? -18.256 -2.029 1.669 1.00 22.57 ? 467 SER A O 1 ATOM 3352 C CB . SER A 1 443 ? -17.249 -4.655 2.588 1.00 23.12 ? 467 SER A CB 1 ATOM 3353 O OG . SER A 1 443 ? -17.906 -5.163 1.434 1.00 24.57 ? 467 SER A OG 1 ATOM 3354 N N . SER A 1 444 ? -20.204 -2.654 2.623 1.00 23.04 ? 468 SER A N 1 ATOM 3355 C CA . SER A 1 444 ? -21.026 -1.712 1.864 1.00 23.46 ? 468 SER A CA 1 ATOM 3356 C C . SER A 1 444 ? -20.989 -0.309 2.487 1.00 22.63 ? 468 SER A C 1 ATOM 3357 O O . SER A 1 444 ? -21.389 -0.117 3.638 1.00 22.34 ? 468 SER A O 1 ATOM 3358 C CB . SER A 1 444 ? -22.472 -2.224 1.754 1.00 24.21 ? 468 SER A CB 1 ATOM 3359 O OG . SER A 1 444 ? -23.314 -1.255 1.140 1.00 27.17 ? 468 SER A OG 1 ATOM 3360 N N . VAL A 1 445 ? -20.496 0.657 1.714 1.00 22.09 ? 469 VAL A N 1 ATOM 3361 C CA . VAL A 1 445 ? -20.397 2.056 2.149 1.00 21.61 ? 469 VAL A CA 1 ATOM 3362 C C . VAL A 1 445 ? -21.685 2.825 1.818 1.00 21.40 ? 469 VAL A C 1 ATOM 3363 O O . VAL A 1 445 ? -22.099 2.860 0.656 1.00 20.98 ? 469 VAL A O 1 ATOM 3364 C CB . VAL A 1 445 ? -19.196 2.775 1.483 1.00 21.66 ? 469 VAL A CB 1 ATOM 3365 C CG1 . VAL A 1 445 ? -19.052 4.205 2.011 1.00 21.72 ? 469 VAL A CG1 1 ATOM 3366 C CG2 . VAL A 1 445 ? -17.905 1.987 1.696 1.00 21.19 ? 469 VAL A CG2 1 ATOM 3367 N N . PRO A 1 446 ? -22.321 3.436 2.839 1.00 21.23 ? 470 PRO A N 1 ATOM 3368 C CA . PRO A 1 446 ? -23.478 4.317 2.617 1.00 21.14 ? 470 PRO A CA 1 ATOM 3369 C C . PRO A 1 446 ? -23.173 5.444 1.632 1.00 21.23 ? 470 PRO A C 1 ATOM 3370 O O . PRO A 1 446 ? -22.020 5.897 1.533 1.00 21.14 ? 470 PRO A O 1 ATOM 3371 C CB . PRO A 1 446 ? -23.754 4.893 4.012 1.00 21.28 ? 470 PRO A CB 1 ATOM 3372 C CG . PRO A 1 446 ? -23.228 3.855 4.949 1.00 21.08 ? 470 PRO A CG 1 ATOM 3373 C CD . PRO A 1 446 ? -22.000 3.311 4.274 1.00 21.11 ? 470 PRO A CD 1 ATOM 3374 N N . GLY A 1 447 ? -24.199 5.882 0.903 1.00 21.13 ? 471 GLY A N 1 ATOM 3375 C CA . GLY A 1 447 ? -24.043 6.936 -0.097 1.00 20.88 ? 471 GLY A CA 1 ATOM 3376 C C . GLY A 1 447 ? -23.659 8.272 0.508 1.00 20.76 ? 471 GLY A C 1 ATOM 3377 O O . GLY A 1 447 ? -22.981 9.077 -0.134 1.00 20.96 ? 471 GLY A O 1 ATOM 3378 N N . THR A 1 448 ? -24.092 8.494 1.746 1.00 20.59 ? 472 THR A N 1 ATOM 3379 C CA . THR A 1 448 ? -23.853 9.743 2.467 1.00 20.80 ? 472 THR A CA 1 ATOM 3380 C C . THR A 1 448 ? -23.494 9.423 3.916 1.00 20.39 ? 472 THR A C 1 ATOM 3381 O O . THR A 1 448 ? -24.187 8.648 4.579 1.00 20.77 ? 472 THR A O 1 ATOM 3382 C CB . THR A 1 448 ? -25.108 10.668 2.411 1.00 20.90 ? 472 THR A CB 1 ATOM 3383 O OG1 . THR A 1 448 ? -25.298 11.133 1.071 1.00 21.42 ? 472 THR A OG1 1 ATOM 3384 C CG2 . THR A 1 448 ? -24.960 11.880 3.333 1.00 21.31 ? 472 THR A CG2 1 ATOM 3385 N N . CYS A 1 449 ? -22.411 10.018 4.404 1.00 20.09 ? 473 CYS A N 1 ATOM 3386 C CA . CYS A 1 449 ? -21.958 9.770 5.772 1.00 19.52 ? 473 CYS A CA 1 ATOM 3387 C C . CYS A 1 449 ? -22.590 10.757 6.744 1.00 19.41 ? 473 CYS A C 1 ATOM 3388 O O . CYS A 1 449 ? -22.774 11.929 6.418 1.00 19.36 ? 473 CYS A O 1 ATOM 3389 C CB . CYS A 1 449 ? -20.433 9.828 5.856 1.00 19.43 ? 473 CYS A CB 1 ATOM 3390 S SG . CYS A 1 449 ? -19.547 8.870 4.567 1.00 18.79 ? 473 CYS A SG 1 ATOM 3391 N N . ALA A 1 450 ? -22.917 10.270 7.937 1.00 19.35 ? 474 ALA A N 1 ATOM 3392 C CA . ALA A 1 450 ? -23.548 11.080 8.977 1.00 19.52 ? 474 ALA A CA 1 ATOM 3393 C C . ALA A 1 450 ? -22.644 11.223 10.201 1.00 19.74 ? 474 ALA A C 1 ATOM 3394 O O . ALA A 1 450 ? -22.103 10.230 10.697 1.00 19.75 ? 474 ALA A O 1 ATOM 3395 C CB . ALA A 1 450 ? -24.874 10.455 9.389 1.00 19.45 ? 474 ALA A CB 1 ATOM 3396 N N . ALA A 1 451 ? -22.479 12.454 10.679 1.00 19.59 ? 475 ALA A N 1 ATOM 3397 C CA . ALA A 1 451 ? -21.843 12.686 11.968 1.00 19.92 ? 475 ALA A CA 1 ATOM 3398 C C . ALA A 1 451 ? -22.870 12.353 13.043 1.00 20.40 ? 475 ALA A C 1 ATOM 3399 O O . ALA A 1 451 ? -23.809 13.118 13.279 1.00 20.04 ? 475 ALA A O 1 ATOM 3400 C CB . ALA A 1 451 ? -21.373 14.129 12.091 1.00 19.58 ? 475 ALA A CB 1 ATOM 3401 N N . THR A 1 452 ? -22.710 11.201 13.680 1.00 21.15 ? 476 THR A N 1 ATOM 3402 C CA . THR A 1 452 ? -23.754 10.697 14.563 1.00 22.26 ? 476 THR A CA 1 ATOM 3403 C C . THR A 1 452 ? -23.246 9.745 15.647 1.00 22.11 ? 476 THR A C 1 ATOM 3404 O O . THR A 1 452 ? -22.053 9.453 15.726 1.00 21.58 ? 476 THR A O 1 ATOM 3405 C CB . THR A 1 452 ? -24.932 10.062 13.735 1.00 22.97 ? 476 THR A CB 1 ATOM 3406 O OG1 . THR A 1 452 ? -26.075 9.859 14.578 1.00 26.28 ? 476 THR A OG1 1 ATOM 3407 C CG2 . THR A 1 452 ? -24.527 8.732 13.089 1.00 22.40 ? 476 THR A CG2 1 ATOM 3408 N N . SER A 1 453 ? -24.173 9.292 16.486 1.00 22.31 ? 477 SER A N 1 ATOM 3409 C CA . SER A 1 453 ? -23.906 8.346 17.561 1.00 22.91 ? 477 SER A CA 1 ATOM 3410 C C . SER A 1 453 ? -25.176 7.528 17.809 1.00 22.18 ? 477 SER A C 1 ATOM 3411 O O . SER A 1 453 ? -26.240 7.851 17.277 1.00 22.09 ? 477 SER A O 1 ATOM 3412 C CB . SER A 1 453 ? -23.515 9.091 18.840 1.00 23.53 ? 477 SER A CB 1 ATOM 3413 O OG . SER A 1 453 ? -24.672 9.577 19.502 1.00 27.07 ? 477 SER A OG 1 ATOM 3414 N N . ALA A 1 454 ? -25.057 6.468 18.603 1.00 21.38 ? 478 ALA A N 1 ATOM 3415 C CA . ALA A 1 454 ? -26.214 5.762 19.141 1.00 20.88 ? 478 ALA A CA 1 ATOM 3416 C C . ALA A 1 454 ? -25.924 5.379 20.589 1.00 20.64 ? 478 ALA A C 1 ATOM 3417 O O . ALA A 1 454 ? -24.762 5.190 20.965 1.00 20.38 ? 478 ALA A O 1 ATOM 3418 C CB . ALA A 1 454 ? -26.535 4.537 18.310 1.00 20.79 ? 478 ALA A CB 1 ATOM 3419 N N . ILE A 1 455 ? -26.972 5.273 21.398 1.00 20.24 ? 479 ILE A N 1 ATOM 3420 C CA . ILE A 1 455 ? -26.815 4.985 22.823 1.00 19.92 ? 479 ILE A CA 1 ATOM 3421 C C . ILE A 1 455 ? -27.140 3.521 23.121 1.00 19.90 ? 479 ILE A C 1 ATOM 3422 O O . ILE A 1 455 ? -28.187 3.005 22.709 1.00 19.95 ? 479 ILE A O 1 ATOM 3423 C CB . ILE A 1 455 ? -27.686 5.933 23.708 1.00 20.06 ? 479 ILE A CB 1 ATOM 3424 C CG1 . ILE A 1 455 ? -27.375 7.411 23.425 1.00 19.97 ? 479 ILE A CG1 1 ATOM 3425 C CG2 . ILE A 1 455 ? -27.537 5.603 25.200 1.00 20.20 ? 479 ILE A CG2 1 ATOM 3426 C CD1 . ILE A 1 455 ? -26.004 7.900 23.908 1.00 20.54 ? 479 ILE A CD1 1 ATOM 3427 N N . GLY A 1 456 ? -26.224 2.857 23.824 1.00 19.48 ? 480 GLY A N 1 ATOM 3428 C CA . GLY A 1 456 ? -26.433 1.488 24.280 1.00 19.10 ? 480 GLY A CA 1 ATOM 3429 C C . GLY A 1 456 ? -26.754 1.459 25.761 1.00 18.95 ? 480 GLY A C 1 ATOM 3430 O O . GLY A 1 456 ? -27.558 2.262 26.246 1.00 19.33 ? 480 GLY A O 1 ATOM 3431 N N . THR A 1 457 ? -26.119 0.539 26.480 1.00 18.48 ? 481 THR A N 1 ATOM 3432 C CA . THR A 1 457 ? -26.348 0.379 27.913 1.00 17.99 ? 481 THR A CA 1 ATOM 3433 C C . THR A 1 457 ? -25.016 0.124 28.596 1.00 17.22 ? 481 THR A C 1 ATOM 3434 O O . THR A 1 457 ? -24.172 -0.595 28.048 1.00 17.00 ? 481 THR A O 1 ATOM 3435 C CB . THR A 1 457 ? -27.278 -0.834 28.235 1.00 17.90 ? 481 THR A CB 1 ATOM 3436 O OG1 . THR A 1 457 ? -28.236 -1.030 27.186 1.00 19.77 ? 481 THR A OG1 1 ATOM 3437 C CG2 . THR A 1 457 ? -28.005 -0.616 29.557 1.00 18.03 ? 481 THR A CG2 1 ATOM 3438 N N . TYR A 1 458 ? -24.832 0.722 29.775 1.00 16.44 ? 482 TYR A N 1 ATOM 3439 C CA . TYR A 1 458 ? -23.686 0.427 30.631 1.00 16.11 ? 482 TYR A CA 1 ATOM 3440 C C . TYR A 1 458 ? -24.143 -0.208 31.936 1.00 16.88 ? 482 TYR A C 1 ATOM 3441 O O . TYR A 1 458 ? -25.041 0.312 32.611 1.00 16.85 ? 482 TYR A O 1 ATOM 3442 C CB . TYR A 1 458 ? -22.853 1.685 30.917 1.00 15.14 ? 482 TYR A CB 1 ATOM 3443 C CG . TYR A 1 458 ? -22.397 2.404 29.665 1.00 14.02 ? 482 TYR A CG 1 ATOM 3444 C CD1 . TYR A 1 458 ? -22.963 3.627 29.296 1.00 12.67 ? 482 TYR A CD1 1 ATOM 3445 C CD2 . TYR A 1 458 ? -21.418 1.848 28.833 1.00 12.18 ? 482 TYR A CD2 1 ATOM 3446 C CE1 . TYR A 1 458 ? -22.550 4.292 28.131 1.00 12.10 ? 482 TYR A CE1 1 ATOM 3447 C CE2 . TYR A 1 458 ? -21.008 2.495 27.674 1.00 12.09 ? 482 TYR A CE2 1 ATOM 3448 C CZ . TYR A 1 458 ? -21.577 3.717 27.329 1.00 12.14 ? 482 TYR A CZ 1 ATOM 3449 O OH . TYR A 1 458 ? -21.165 4.365 26.187 1.00 12.65 ? 482 TYR A OH 1 ATOM 3450 N N . SER A 1 459 ? -23.520 -1.331 32.293 1.00 17.16 ? 483 SER A N 1 ATOM 3451 C CA . SER A 1 459 ? -23.822 -1.996 33.553 1.00 17.90 ? 483 SER A CA 1 ATOM 3452 C C . SER A 1 459 ? -22.652 -2.809 34.090 1.00 17.67 ? 483 SER A C 1 ATOM 3453 O O . SER A 1 459 ? -22.026 -3.588 33.362 1.00 17.37 ? 483 SER A O 1 ATOM 3454 C CB . SER A 1 459 ? -25.067 -2.868 33.420 1.00 18.22 ? 483 SER A CB 1 ATOM 3455 O OG . SER A 1 459 ? -25.491 -3.294 34.701 1.00 20.54 ? 483 SER A OG 1 ATOM 3456 N N . SER A 1 460 ? -22.367 -2.611 35.372 1.00 17.63 ? 484 SER A N 1 ATOM 3457 C CA . SER A 1 460 ? -21.238 -3.248 36.027 1.00 17.94 ? 484 SER A CA 1 ATOM 3458 C C . SER A 1 460 ? -21.419 -4.746 36.236 1.00 17.84 ? 484 SER A C 1 ATOM 3459 O O . SER A 1 460 ? -22.404 -5.198 36.821 1.00 17.61 ? 484 SER A O 1 ATOM 3460 C CB . SER A 1 460 ? -20.949 -2.573 37.361 1.00 18.12 ? 484 SER A CB 1 ATOM 3461 O OG . SER A 1 460 ? -19.957 -3.286 38.076 1.00 20.08 ? 484 SER A OG 1 ATOM 3462 N N . VAL A 1 461 ? -20.437 -5.500 35.757 1.00 17.92 ? 485 VAL A N 1 ATOM 3463 C CA . VAL A 1 461 ? -20.447 -6.956 35.816 1.00 17.84 ? 485 VAL A CA 1 ATOM 3464 C C . VAL A 1 461 ? -19.594 -7.429 36.989 1.00 18.49 ? 485 VAL A C 1 ATOM 3465 O O . VAL A 1 461 ? -18.517 -6.883 37.257 1.00 18.16 ? 485 VAL A O 1 ATOM 3466 C CB . VAL A 1 461 ? -19.913 -7.558 34.494 1.00 17.93 ? 485 VAL A CB 1 ATOM 3467 C CG1 . VAL A 1 461 ? -20.083 -9.083 34.466 1.00 17.19 ? 485 VAL A CG1 1 ATOM 3468 C CG2 . VAL A 1 461 ? -20.609 -6.922 33.301 1.00 16.87 ? 485 VAL A CG2 1 ATOM 3469 N N . THR A 1 462 ? -20.091 -8.448 37.683 1.00 19.25 ? 486 THR A N 1 ATOM 3470 C CA . THR A 1 462 ? -19.409 -9.050 38.826 1.00 20.52 ? 486 THR A CA 1 ATOM 3471 C C . THR A 1 462 ? -19.269 -10.544 38.530 1.00 20.63 ? 486 THR A C 1 ATOM 3472 O O . THR A 1 462 ? -20.244 -11.201 38.167 1.00 20.67 ? 486 THR A O 1 ATOM 3473 C CB . THR A 1 462 ? -20.194 -8.810 40.152 1.00 20.92 ? 486 THR A CB 1 ATOM 3474 O OG1 . THR A 1 462 ? -20.408 -7.401 40.340 1.00 23.27 ? 486 THR A OG1 1 ATOM 3475 C CG2 . THR A 1 462 ? -19.424 -9.346 41.355 1.00 20.57 ? 486 THR A CG2 1 ATOM 3476 N N . VAL A 1 463 ? -18.052 -11.063 38.663 1.00 21.20 ? 487 VAL A N 1 ATOM 3477 C CA . VAL A 1 463 ? -17.750 -12.446 38.270 1.00 21.63 ? 487 VAL A CA 1 ATOM 3478 C C . VAL A 1 463 ? -17.500 -13.377 39.463 1.00 21.87 ? 487 VAL A C 1 ATOM 3479 O O . VAL A 1 463 ? -17.190 -12.933 40.571 1.00 22.36 ? 487 VAL A O 1 ATOM 3480 C CB . VAL A 1 463 ? -16.563 -12.498 37.270 1.00 21.66 ? 487 VAL A CB 1 ATOM 3481 C CG1 . VAL A 1 463 ? -16.169 -13.941 36.962 1.00 22.37 ? 487 VAL A CG1 1 ATOM 3482 C CG2 . VAL A 1 463 ? -16.927 -11.768 35.979 1.00 21.58 ? 487 VAL A CG2 1 HETATM 3483 C C1 . NAG B 2 . ? -17.666 12.447 12.599 1.00 21.48 ? 501 NAG A C1 1 HETATM 3484 C C2 . NAG B 2 . ? -16.214 12.806 12.260 1.00 22.48 ? 501 NAG A C2 1 HETATM 3485 C C3 . NAG B 2 . ? -16.157 13.735 11.048 1.00 23.47 ? 501 NAG A C3 1 HETATM 3486 C C4 . NAG B 2 . ? -16.917 13.156 9.857 1.00 25.36 ? 501 NAG A C4 1 HETATM 3487 C C5 . NAG B 2 . ? -18.321 12.763 10.316 1.00 25.76 ? 501 NAG A C5 1 HETATM 3488 C C6 . NAG B 2 . ? -19.102 12.060 9.209 1.00 26.78 ? 501 NAG A C6 1 HETATM 3489 C C7 . NAG B 2 . ? -14.849 12.696 14.304 1.00 21.37 ? 501 NAG A C7 1 HETATM 3490 C C8 . NAG B 2 . ? -14.088 13.482 15.324 1.00 20.55 ? 501 NAG A C8 1 HETATM 3491 N N2 . NAG B 2 . ? -15.505 13.408 13.379 1.00 21.64 ? 501 NAG A N2 1 HETATM 3492 O O3 . NAG B 2 . ? -14.815 13.987 10.710 1.00 24.88 ? 501 NAG A O3 1 HETATM 3493 O O4 . NAG B 2 . ? -17.032 14.112 8.827 1.00 27.17 ? 501 NAG A O4 1 HETATM 3494 O O5 . NAG B 2 . ? -18.236 11.885 11.425 1.00 23.96 ? 501 NAG A O5 1 HETATM 3495 O O6 . NAG B 2 . ? -18.399 10.906 8.782 1.00 27.37 ? 501 NAG A O6 1 HETATM 3496 O O7 . NAG B 2 . ? -14.847 11.462 14.359 1.00 21.24 ? 501 NAG A O7 1 HETATM 3497 C C1 . NAG C 2 . ? -16.102 13.913 7.754 1.00 29.30 ? 502 NAG A C1 1 HETATM 3498 C C2 . NAG C 2 . ? -16.592 14.742 6.571 1.00 30.54 ? 502 NAG A C2 1 HETATM 3499 C C3 . NAG C 2 . ? -15.620 14.626 5.403 1.00 31.03 ? 502 NAG A C3 1 HETATM 3500 C C4 . NAG C 2 . ? -14.198 14.939 5.852 1.00 31.36 ? 502 NAG A C4 1 HETATM 3501 C C5 . NAG C 2 . ? -13.838 14.053 7.048 1.00 30.45 ? 502 NAG A C5 1 HETATM 3502 C C6 . NAG C 2 . ? -12.428 14.323 7.572 1.00 30.22 ? 502 NAG A C6 1 HETATM 3503 C C7 . NAG C 2 . ? -19.020 14.980 6.543 1.00 32.65 ? 502 NAG A C7 1 HETATM 3504 C C8 . NAG C 2 . ? -20.336 14.443 6.057 1.00 32.67 ? 502 NAG A C8 1 HETATM 3505 N N2 . NAG C 2 . ? -17.926 14.316 6.172 1.00 31.85 ? 502 NAG A N2 1 HETATM 3506 O O3 . NAG C 2 . ? -16.006 15.521 4.389 1.00 31.15 ? 502 NAG A O3 1 HETATM 3507 O O4 . NAG C 2 . ? -13.311 14.737 4.768 1.00 32.90 ? 502 NAG A O4 1 HETATM 3508 O O5 . NAG C 2 . ? -14.771 14.278 8.090 1.00 29.74 ? 502 NAG A O5 1 HETATM 3509 O O6 . NAG C 2 . ? -12.359 15.651 8.049 1.00 31.38 ? 502 NAG A O6 1 HETATM 3510 O O7 . NAG C 2 . ? -18.980 15.993 7.248 1.00 33.53 ? 502 NAG A O7 1 HETATM 3511 C C1 . BMA D 3 . ? -12.573 15.949 4.525 1.00 36.82 ? 503 BMA A C1 1 HETATM 3512 C C2 . BMA D 3 . ? -11.198 15.596 3.957 1.00 37.27 ? 503 BMA A C2 1 HETATM 3513 C C3 . BMA D 3 . ? -10.379 16.844 3.591 1.00 39.19 ? 503 BMA A C3 1 HETATM 3514 C C4 . BMA D 3 . ? -11.216 17.900 2.866 1.00 40.09 ? 503 BMA A C4 1 HETATM 3515 C C5 . BMA D 3 . ? -12.547 18.126 3.600 1.00 40.08 ? 503 BMA A C5 1 HETATM 3516 C C6 . BMA D 3 . ? -13.447 19.173 2.936 1.00 41.19 ? 503 BMA A C6 1 HETATM 3517 O O2 . BMA D 3 . ? -11.357 14.740 2.819 1.00 36.36 ? 503 BMA A O2 1 HETATM 3518 O O3 . BMA D 3 . ? -9.234 16.518 2.781 1.00 39.91 ? 503 BMA A O3 1 HETATM 3519 O O4 . BMA D 3 . ? -10.450 19.112 2.785 1.00 41.45 ? 503 BMA A O4 1 HETATM 3520 O O5 . BMA D 3 . ? -13.248 16.880 3.673 1.00 38.55 ? 503 BMA A O5 1 HETATM 3521 O O6 . BMA D 3 . ? -13.648 18.830 1.557 1.00 42.72 ? 503 BMA A O6 1 HETATM 3522 C C1 . MAN E 4 . ? -8.242 15.875 3.610 1.00 39.76 ? 504 MAN A C1 1 HETATM 3523 C C2 . MAN E 4 . ? -6.836 16.297 3.204 1.00 40.22 ? 504 MAN A C2 1 HETATM 3524 C C3 . MAN E 4 . ? -6.514 15.763 1.808 1.00 39.65 ? 504 MAN A C3 1 HETATM 3525 C C4 . MAN E 4 . ? -6.780 14.254 1.729 1.00 39.55 ? 504 MAN A C4 1 HETATM 3526 C C5 . MAN E 4 . ? -8.197 13.957 2.240 1.00 39.57 ? 504 MAN A C5 1 HETATM 3527 C C6 . MAN E 4 . ? -8.574 12.476 2.236 1.00 39.43 ? 504 MAN A C6 1 HETATM 3528 O O2 . MAN E 4 . ? -5.914 15.777 4.147 1.00 39.89 ? 504 MAN A O2 1 HETATM 3529 O O3 . MAN E 4 . ? -5.174 16.071 1.489 1.00 39.98 ? 504 MAN A O3 1 HETATM 3530 O O4 . MAN E 4 . ? -6.620 13.790 0.403 1.00 39.25 ? 504 MAN A O4 1 HETATM 3531 O O5 . MAN E 4 . ? -8.337 14.466 3.556 1.00 39.61 ? 504 MAN A O5 1 HETATM 3532 O O6 . MAN E 4 . ? -9.949 12.322 2.551 1.00 36.79 ? 504 MAN A O6 1 HETATM 3533 C C1 . NAG F 2 . ? 17.171 -13.014 28.059 1.00 24.32 ? 551 NAG A C1 1 HETATM 3534 C C2 . NAG F 2 . ? 15.901 -13.076 28.911 1.00 26.55 ? 551 NAG A C2 1 HETATM 3535 C C3 . NAG F 2 . ? 15.649 -11.724 29.582 1.00 27.37 ? 551 NAG A C3 1 HETATM 3536 C C4 . NAG F 2 . ? 16.888 -11.188 30.301 1.00 28.20 ? 551 NAG A C4 1 HETATM 3537 C C5 . NAG F 2 . ? 18.107 -11.261 29.369 1.00 28.01 ? 551 NAG A C5 1 HETATM 3538 C C6 . NAG F 2 . ? 19.418 -10.879 30.051 1.00 30.24 ? 551 NAG A C6 1 HETATM 3539 C C7 . NAG F 2 . ? 14.127 -14.539 28.043 1.00 27.25 ? 551 NAG A C7 1 HETATM 3540 C C8 . NAG F 2 . ? 13.099 -14.711 26.962 1.00 24.86 ? 551 NAG A C8 1 HETATM 3541 N N2 . NAG F 2 . ? 14.761 -13.371 28.062 1.00 26.58 ? 551 NAG A N2 1 HETATM 3542 O O3 . NAG F 2 . ? 14.568 -11.828 30.483 1.00 28.19 ? 551 NAG A O3 1 HETATM 3543 O O4 . NAG F 2 . ? 16.617 -9.842 30.640 1.00 29.14 ? 551 NAG A O4 1 HETATM 3544 O O5 . NAG F 2 . ? 18.256 -12.571 28.862 1.00 26.95 ? 551 NAG A O5 1 HETATM 3545 O O6 . NAG F 2 . ? 19.487 -11.525 31.309 1.00 32.68 ? 551 NAG A O6 1 HETATM 3546 O O7 . NAG F 2 . ? 14.351 -15.437 28.846 1.00 28.80 ? 551 NAG A O7 1 HETATM 3547 C C1 . NAG G 2 . ? 16.772 -9.543 32.039 1.00 29.39 ? 552 NAG A C1 1 HETATM 3548 C C2 . NAG G 2 . ? 16.982 -8.029 32.156 1.00 30.23 ? 552 NAG A C2 1 HETATM 3549 C C3 . NAG G 2 . ? 17.025 -7.560 33.605 1.00 31.50 ? 552 NAG A C3 1 HETATM 3550 C C4 . NAG G 2 . ? 15.881 -8.154 34.433 1.00 32.88 ? 552 NAG A C4 1 HETATM 3551 C C5 . NAG G 2 . ? 15.761 -9.655 34.170 1.00 32.78 ? 552 NAG A C5 1 HETATM 3552 C C6 . NAG G 2 . ? 14.558 -10.266 34.876 1.00 34.27 ? 552 NAG A C6 1 HETATM 3553 C C7 . NAG G 2 . ? 18.158 -7.137 30.217 1.00 29.93 ? 552 NAG A C7 1 HETATM 3554 C C8 . NAG G 2 . ? 19.478 -6.993 29.517 1.00 29.28 ? 552 NAG A C8 1 HETATM 3555 N N2 . NAG G 2 . ? 18.190 -7.616 31.460 1.00 28.54 ? 552 NAG A N2 1 HETATM 3556 O O3 . NAG G 2 . ? 16.948 -6.150 33.601 1.00 32.03 ? 552 NAG A O3 1 HETATM 3557 O O4 . NAG G 2 . ? 16.126 -7.976 35.814 1.00 35.01 ? 552 NAG A O4 1 HETATM 3558 O O5 . NAG G 2 . ? 15.644 -9.921 32.789 1.00 31.07 ? 552 NAG A O5 1 HETATM 3559 O O6 . NAG G 2 . ? 14.848 -11.611 35.185 1.00 35.00 ? 552 NAG A O6 1 HETATM 3560 O O7 . NAG G 2 . ? 17.111 -6.824 29.643 1.00 29.22 ? 552 NAG A O7 1 HETATM 3561 C C1 . BMA H 3 . ? 15.498 -6.794 36.340 1.00 37.64 ? 553 BMA A C1 1 HETATM 3562 C C2 . BMA H 3 . ? 15.054 -7.069 37.773 1.00 39.33 ? 553 BMA A C2 1 HETATM 3563 C C3 . BMA H 3 . ? 14.499 -5.798 38.442 1.00 40.31 ? 553 BMA A C3 1 HETATM 3564 C C4 . BMA H 3 . ? 15.403 -4.583 38.241 1.00 39.87 ? 553 BMA A C4 1 HETATM 3565 C C5 . BMA H 3 . ? 15.764 -4.448 36.766 1.00 39.10 ? 553 BMA A C5 1 HETATM 3566 C C6 . BMA H 3 . ? 16.720 -3.289 36.520 1.00 39.50 ? 553 BMA A C6 1 HETATM 3567 O O2 . BMA H 3 . ? 16.155 -7.620 38.517 1.00 39.71 ? 553 BMA A O2 1 HETATM 3568 O O3 . BMA H 3 . ? 14.270 -6.026 39.842 1.00 42.39 ? 553 BMA A O3 1 HETATM 3569 O O4 . BMA H 3 . ? 14.729 -3.398 38.676 1.00 41.02 ? 553 BMA A O4 1 HETATM 3570 O O5 . BMA H 3 . ? 16.374 -5.661 36.313 1.00 37.67 ? 553 BMA A O5 1 HETATM 3571 O O6 . BMA H 3 . ? 17.157 -3.395 35.162 1.00 39.34 ? 553 BMA A O6 1 HETATM 3572 C C1 . MAN I 4 . ? 12.858 -6.214 40.074 1.00 44.35 ? 554 MAN A C1 1 HETATM 3573 C C2 . MAN I 4 . ? 12.521 -6.043 41.552 1.00 45.61 ? 554 MAN A C2 1 HETATM 3574 C C3 . MAN I 4 . ? 13.197 -7.185 42.319 1.00 46.45 ? 554 MAN A C3 1 HETATM 3575 C C4 . MAN I 4 . ? 12.781 -8.559 41.773 1.00 46.78 ? 554 MAN A C4 1 HETATM 3576 C C5 . MAN I 4 . ? 12.910 -8.627 40.246 1.00 46.40 ? 554 MAN A C5 1 HETATM 3577 C C6 . MAN I 4 . ? 12.241 -9.875 39.671 1.00 46.89 ? 554 MAN A C6 1 HETATM 3578 O O2 . MAN I 4 . ? 11.126 -6.176 41.746 1.00 45.52 ? 554 MAN A O2 1 HETATM 3579 O O3 . MAN I 4 . ? 12.881 -7.086 43.690 1.00 47.05 ? 554 MAN A O3 1 HETATM 3580 O O4 . MAN I 4 . ? 13.575 -9.574 42.354 1.00 47.83 ? 554 MAN A O4 1 HETATM 3581 O O5 . MAN I 4 . ? 12.356 -7.469 39.632 1.00 45.32 ? 554 MAN A O5 1 HETATM 3582 O O6 . MAN I 4 . ? 12.000 -9.728 38.283 1.00 47.66 ? 554 MAN A O6 1 HETATM 3583 C C1 . MAN J 4 . ? 10.326 -5.002 41.478 1.00 45.74 ? 555 MAN A C1 1 HETATM 3584 C C2 . MAN J 4 . ? 9.061 -5.150 42.321 1.00 46.53 ? 555 MAN A C2 1 HETATM 3585 C C3 . MAN J 4 . ? 8.328 -6.399 41.829 1.00 45.02 ? 555 MAN A C3 1 HETATM 3586 C C4 . MAN J 4 . ? 7.963 -6.218 40.350 1.00 43.80 ? 555 MAN A C4 1 HETATM 3587 C C5 . MAN J 4 . ? 9.204 -5.885 39.515 1.00 43.66 ? 555 MAN A C5 1 HETATM 3588 C C6 . MAN J 4 . ? 8.816 -5.521 38.081 1.00 42.86 ? 555 MAN A C6 1 HETATM 3589 O O2 . MAN J 4 . ? 8.214 -4.031 42.158 1.00 48.56 ? 555 MAN A O2 1 HETATM 3590 O O3 . MAN J 4 . ? 7.186 -6.645 42.615 1.00 45.11 ? 555 MAN A O3 1 HETATM 3591 O O4 . MAN J 4 . ? 7.345 -7.383 39.861 1.00 42.76 ? 555 MAN A O4 1 HETATM 3592 O O5 . MAN J 4 . ? 9.953 -4.826 40.109 1.00 44.94 ? 555 MAN A O5 1 HETATM 3593 O O6 . MAN J 4 . ? 9.957 -5.326 37.277 1.00 41.80 ? 555 MAN A O6 1 HETATM 3594 C C1 . MAN K 4 . ? 8.328 -3.093 43.250 1.00 50.93 ? 556 MAN A C1 1 HETATM 3595 C C2 . MAN K 4 . ? 6.962 -2.461 43.514 1.00 51.77 ? 556 MAN A C2 1 HETATM 3596 C C3 . MAN K 4 . ? 6.538 -1.592 42.324 1.00 52.15 ? 556 MAN A C3 1 HETATM 3597 C C4 . MAN K 4 . ? 7.652 -0.634 41.878 1.00 52.08 ? 556 MAN A C4 1 HETATM 3598 C C5 . MAN K 4 . ? 9.028 -1.308 41.824 1.00 51.94 ? 556 MAN A C5 1 HETATM 3599 C C6 . MAN K 4 . ? 10.142 -0.280 41.660 1.00 52.95 ? 556 MAN A C6 1 HETATM 3600 O O2 . MAN K 4 . ? 7.012 -1.689 44.699 1.00 52.52 ? 556 MAN A O2 1 HETATM 3601 O O3 . MAN K 4 . ? 5.354 -0.885 42.638 1.00 51.83 ? 556 MAN A O3 1 HETATM 3602 O O4 . MAN K 4 . ? 7.339 -0.132 40.600 1.00 52.47 ? 556 MAN A O4 1 HETATM 3603 O O5 . MAN K 4 . ? 9.277 -2.071 42.997 1.00 51.72 ? 556 MAN A O5 1 HETATM 3604 O O6 . MAN K 4 . ? 11.400 -0.921 41.720 1.00 53.58 ? 556 MAN A O6 1 HETATM 3605 C C1 . MAN L 4 . ? 17.975 -2.272 34.796 1.00 39.11 ? 571 MAN A C1 1 HETATM 3606 C C2 . MAN L 4 . ? 17.778 -2.033 33.300 1.00 38.57 ? 571 MAN A C2 1 HETATM 3607 C C3 . MAN L 4 . ? 18.448 -3.129 32.456 1.00 37.72 ? 571 MAN A C3 1 HETATM 3608 C C4 . MAN L 4 . ? 19.879 -3.424 32.912 1.00 39.13 ? 571 MAN A C4 1 HETATM 3609 C C5 . MAN L 4 . ? 19.912 -3.609 34.434 1.00 40.53 ? 571 MAN A C5 1 HETATM 3610 C C6 . MAN L 4 . ? 21.308 -3.902 34.995 1.00 42.12 ? 571 MAN A C6 1 HETATM 3611 O O2 . MAN L 4 . ? 18.296 -0.774 32.950 1.00 38.45 ? 571 MAN A O2 1 HETATM 3612 O O3 . MAN L 4 . ? 18.465 -2.775 31.088 1.00 35.36 ? 571 MAN A O3 1 HETATM 3613 O O4 . MAN L 4 . ? 20.340 -4.580 32.241 1.00 39.23 ? 571 MAN A O4 1 HETATM 3614 O O5 . MAN L 4 . ? 19.352 -2.467 35.074 1.00 40.20 ? 571 MAN A O5 1 HETATM 3615 O O6 . MAN L 4 . ? 22.223 -2.902 34.594 1.00 44.13 ? 571 MAN A O6 1 HETATM 3616 C C1 . MAN M 4 . ? 17.372 -3.431 30.401 1.00 32.34 ? 572 MAN A C1 1 HETATM 3617 C C2 . MAN M 4 . ? 17.717 -3.575 28.923 1.00 31.53 ? 572 MAN A C2 1 HETATM 3618 C C3 . MAN M 4 . ? 17.621 -2.225 28.215 1.00 31.13 ? 572 MAN A C3 1 HETATM 3619 C C4 . MAN M 4 . ? 16.258 -1.562 28.488 1.00 30.93 ? 572 MAN A C4 1 HETATM 3620 C C5 . MAN M 4 . ? 16.046 -1.476 30.000 1.00 29.75 ? 572 MAN A C5 1 HETATM 3621 C C6 . MAN M 4 . ? 14.740 -0.784 30.388 1.00 29.37 ? 572 MAN A C6 1 HETATM 3622 O O2 . MAN M 4 . ? 16.846 -4.519 28.337 1.00 29.57 ? 572 MAN A O2 1 HETATM 3623 O O3 . MAN M 4 . ? 17.876 -2.419 26.840 1.00 29.70 ? 572 MAN A O3 1 HETATM 3624 O O4 . MAN M 4 . ? 16.173 -0.266 27.921 1.00 30.97 ? 572 MAN A O4 1 HETATM 3625 O O5 . MAN M 4 . ? 16.116 -2.782 30.555 1.00 31.46 ? 572 MAN A O5 1 HETATM 3626 O O6 . MAN M 4 . ? 13.607 -1.540 30.007 1.00 25.27 ? 572 MAN A O6 1 HETATM 3627 C C1 . MAN N 4 . ? -18.440 -6.478 1.685 1.00 31.04 ? 600 MAN A C1 1 HETATM 3628 C C2 . MAN N 4 . ? -18.391 -7.227 0.353 1.00 34.94 ? 600 MAN A C2 1 HETATM 3629 C C3 . MAN N 4 . ? -19.482 -6.724 -0.599 1.00 35.23 ? 600 MAN A C3 1 HETATM 3630 C C4 . MAN N 4 . ? -20.847 -6.776 0.079 1.00 35.42 ? 600 MAN A C4 1 HETATM 3631 C C5 . MAN N 4 . ? -20.784 -5.964 1.375 1.00 34.38 ? 600 MAN A C5 1 HETATM 3632 C C6 . MAN N 4 . ? -22.123 -5.977 2.104 1.00 33.97 ? 600 MAN A C6 1 HETATM 3633 O O2 . MAN N 4 . ? -18.538 -8.612 0.598 1.00 35.02 ? 600 MAN A O2 1 HETATM 3634 O O3 . MAN N 4 . ? -19.490 -7.502 -1.773 1.00 37.31 ? 600 MAN A O3 1 HETATM 3635 O O4 . MAN N 4 . ? -21.859 -6.311 -0.800 1.00 35.50 ? 600 MAN A O4 1 HETATM 3636 O O5 . MAN N 4 . ? -19.756 -6.476 2.228 1.00 33.91 ? 600 MAN A O5 1 HETATM 3637 O O6 . MAN N 4 . ? -22.029 -5.229 3.299 1.00 35.20 ? 600 MAN A O6 1 HETATM 3638 C C1 . MAN O 4 . ? -24.712 -1.541 1.376 1.00 35.19 ? 601 MAN A C1 1 HETATM 3639 C C2 . MAN O 4 . ? -25.573 -0.538 0.602 1.00 39.36 ? 601 MAN A C2 1 HETATM 3640 C C3 . MAN O 4 . ? -25.499 0.841 1.270 1.00 40.69 ? 601 MAN A C3 1 HETATM 3641 C C4 . MAN O 4 . ? -25.894 0.749 2.742 1.00 41.25 ? 601 MAN A C4 1 HETATM 3642 C C5 . MAN O 4 . ? -25.093 -0.351 3.458 1.00 40.62 ? 601 MAN A C5 1 HETATM 3643 C C6 . MAN O 4 . ? -25.604 -0.588 4.879 1.00 41.36 ? 601 MAN A C6 1 HETATM 3644 O O2 . MAN O 4 . ? -26.906 -1.006 0.580 1.00 39.05 ? 601 MAN A O2 1 HETATM 3645 O O3 . MAN O 4 . ? -26.315 1.789 0.613 1.00 42.18 ? 601 MAN A O3 1 HETATM 3646 O O4 . MAN O 4 . ? -25.673 2.011 3.335 1.00 43.07 ? 601 MAN A O4 1 HETATM 3647 O O5 . MAN O 4 . ? -25.132 -1.586 2.738 1.00 37.59 ? 601 MAN A O5 1 HETATM 3648 O O6 . MAN O 4 . ? -24.879 -1.636 5.494 1.00 43.52 ? 601 MAN A O6 1 HETATM 3649 C C1 . MAN P 4 . ? -27.015 10.950 14.441 1.00 36.76 ? 602 MAN A C1 1 HETATM 3650 C C2 . MAN P 4 . ? -27.945 10.651 15.624 1.00 41.01 ? 602 MAN A C2 1 HETATM 3651 C C3 . MAN P 4 . ? -28.800 9.414 15.367 1.00 42.21 ? 602 MAN A C3 1 HETATM 3652 C C4 . MAN P 4 . ? -29.448 9.425 13.984 1.00 42.68 ? 602 MAN A C4 1 HETATM 3653 C C5 . MAN P 4 . ? -28.479 9.832 12.863 1.00 42.06 ? 602 MAN A C5 1 HETATM 3654 C C6 . MAN P 4 . ? -29.264 10.123 11.585 1.00 43.22 ? 602 MAN A C6 1 HETATM 3655 O O2 . MAN P 4 . ? -28.787 11.751 15.896 1.00 42.42 ? 602 MAN A O2 1 HETATM 3656 O O3 . MAN P 4 . ? -29.798 9.330 16.361 1.00 42.68 ? 602 MAN A O3 1 HETATM 3657 O O4 . MAN P 4 . ? -29.945 8.129 13.724 1.00 45.24 ? 602 MAN A O4 1 HETATM 3658 O O5 . MAN P 4 . ? -27.718 10.988 13.199 1.00 39.45 ? 602 MAN A O5 1 HETATM 3659 O O6 . MAN P 4 . ? -28.445 9.920 10.455 1.00 43.71 ? 602 MAN A O6 1 HETATM 3660 C C1 . MAN Q 4 . ? -24.382 10.735 20.315 1.00 37.34 ? 603 MAN A C1 1 HETATM 3661 C C2 . MAN Q 4 . ? -25.562 10.580 21.289 1.00 41.53 ? 603 MAN A C2 1 HETATM 3662 C C3 . MAN Q 4 . ? -26.910 10.948 20.662 1.00 43.26 ? 603 MAN A C3 1 HETATM 3663 C C4 . MAN Q 4 . ? -26.856 12.248 19.868 1.00 43.65 ? 603 MAN A C4 1 HETATM 3664 C C5 . MAN Q 4 . ? -25.653 12.253 18.917 1.00 43.04 ? 603 MAN A C5 1 HETATM 3665 C C6 . MAN Q 4 . ? -25.530 13.577 18.162 1.00 44.23 ? 603 MAN A C6 1 HETATM 3666 O O2 . MAN Q 4 . ? -25.369 11.372 22.436 1.00 42.09 ? 603 MAN A O2 1 HETATM 3667 O O3 . MAN Q 4 . ? -27.895 11.064 21.669 1.00 46.25 ? 603 MAN A O3 1 HETATM 3668 O O4 . MAN Q 4 . ? -28.071 12.369 19.156 1.00 44.55 ? 603 MAN A O4 1 HETATM 3669 O O5 . MAN Q 4 . ? -24.437 11.980 19.617 1.00 40.51 ? 603 MAN A O5 1 HETATM 3670 O O6 . MAN Q 4 . ? -25.171 13.332 16.812 1.00 45.26 ? 603 MAN A O6 1 HETATM 3671 C C1 . MAN R 4 . ? -26.524 -4.286 34.549 1.00 26.49 ? 604 MAN A C1 1 HETATM 3672 C C2 . MAN R 4 . ? -27.050 -4.359 35.989 1.00 29.12 ? 604 MAN A C2 1 HETATM 3673 C C3 . MAN R 4 . ? -26.051 -5.021 36.942 1.00 30.33 ? 604 MAN A C3 1 HETATM 3674 C C4 . MAN R 4 . ? -25.502 -6.324 36.351 1.00 29.67 ? 604 MAN A C4 1 HETATM 3675 C C5 . MAN R 4 . ? -24.990 -6.062 34.932 1.00 29.50 ? 604 MAN A C5 1 HETATM 3676 C C6 . MAN R 4 . ? -24.341 -7.279 34.273 1.00 29.15 ? 604 MAN A C6 1 HETATM 3677 O O2 . MAN R 4 . ? -28.252 -5.088 35.959 1.00 29.73 ? 604 MAN A O2 1 HETATM 3678 O O3 . MAN R 4 . ? -26.667 -5.246 38.195 1.00 32.18 ? 604 MAN A O3 1 HETATM 3679 O O4 . MAN R 4 . ? -24.457 -6.818 37.154 1.00 30.13 ? 604 MAN A O4 1 HETATM 3680 O O5 . MAN R 4 . ? -26.045 -5.552 34.129 1.00 27.39 ? 604 MAN A O5 1 HETATM 3681 O O6 . MAN R 4 . ? -25.311 -8.276 34.043 1.00 30.57 ? 604 MAN A O6 1 HETATM 3682 C C1 . MAN S 4 . ? -18.659 -2.686 37.869 1.00 25.61 ? 605 MAN A C1 1 HETATM 3683 C C2 . MAN S 4 . ? -17.631 -3.653 38.448 1.00 27.18 ? 605 MAN A C2 1 HETATM 3684 C C3 . MAN S 4 . ? -17.761 -3.724 39.976 1.00 28.67 ? 605 MAN A C3 1 HETATM 3685 C C4 . MAN S 4 . ? -17.740 -2.332 40.606 1.00 29.91 ? 605 MAN A C4 1 HETATM 3686 C C5 . MAN S 4 . ? -18.721 -1.399 39.894 1.00 28.94 ? 605 MAN A C5 1 HETATM 3687 C C6 . MAN S 4 . ? -18.612 0.043 40.385 1.00 31.17 ? 605 MAN A C6 1 HETATM 3688 O O2 . MAN S 4 . ? -16.327 -3.241 38.089 1.00 26.03 ? 605 MAN A O2 1 HETATM 3689 O O3 . MAN S 4 . ? -16.745 -4.549 40.512 1.00 29.19 ? 605 MAN A O3 1 HETATM 3690 O O4 . MAN S 4 . ? -18.097 -2.414 41.967 1.00 32.15 ? 605 MAN A O4 1 HETATM 3691 O O5 . MAN S 4 . ? -18.511 -1.412 38.488 1.00 27.16 ? 605 MAN A O5 1 HETATM 3692 O O6 . MAN S 4 . ? -17.329 0.556 40.089 1.00 33.41 ? 605 MAN A O6 1 HETATM 3693 C C1 . MAN T 4 . ? -21.799 -7.032 40.181 1.00 29.18 ? 606 MAN A C1 1 HETATM 3694 C C2 . MAN T 4 . ? -21.660 -5.513 40.006 1.00 31.11 ? 606 MAN A C2 1 HETATM 3695 C C3 . MAN T 4 . ? -21.394 -4.772 41.314 1.00 32.23 ? 606 MAN A C3 1 HETATM 3696 C C4 . MAN T 4 . ? -22.304 -5.263 42.447 1.00 33.92 ? 606 MAN A C4 1 HETATM 3697 C C5 . MAN T 4 . ? -22.239 -6.788 42.535 1.00 33.89 ? 606 MAN A C5 1 HETATM 3698 C C6 . MAN T 4 . ? -23.126 -7.361 43.634 1.00 35.99 ? 606 MAN A C6 1 HETATM 3699 O O2 . MAN T 4 . ? -22.834 -4.980 39.435 1.00 30.22 ? 606 MAN A O2 1 HETATM 3700 O O3 . MAN T 4 . ? -21.597 -3.397 41.094 1.00 31.95 ? 606 MAN A O3 1 HETATM 3701 O O4 . MAN T 4 . ? -21.873 -4.685 43.655 1.00 35.05 ? 606 MAN A O4 1 HETATM 3702 O O5 . MAN T 4 . ? -22.636 -7.343 41.293 1.00 32.53 ? 606 MAN A O5 1 HETATM 3703 O O6 . MAN T 4 . ? -22.438 -8.442 44.233 1.00 38.11 ? 606 MAN A O6 1 HETATM 3704 C C . TRS U 5 . ? 2.368 1.813 24.198 1.00 36.71 ? 701 TRS A C 1 HETATM 3705 C C1 . TRS U 5 . ? 0.890 1.775 24.584 1.00 36.56 ? 701 TRS A C1 1 HETATM 3706 C C2 . TRS U 5 . ? 2.657 2.657 22.944 1.00 37.34 ? 701 TRS A C2 1 HETATM 3707 C C3 . TRS U 5 . ? 2.915 0.393 24.013 1.00 37.18 ? 701 TRS A C3 1 HETATM 3708 N N . TRS U 5 . ? 3.056 2.433 25.335 1.00 36.97 ? 701 TRS A N 1 HETATM 3709 O O1 . TRS U 5 . ? 0.187 0.819 23.834 1.00 34.65 ? 701 TRS A O1 1 HETATM 3710 O O2 . TRS U 5 . ? 1.516 2.945 22.151 1.00 36.90 ? 701 TRS A O2 1 HETATM 3711 O O3 . TRS U 5 . ? 2.948 -0.288 25.254 1.00 36.14 ? 701 TRS A O3 1 HETATM 3712 C C1 . GOL V 6 . ? 4.813 5.285 24.524 1.00 47.09 ? 801 GOL A C1 1 HETATM 3713 O O1 . GOL V 6 . ? 4.393 5.207 25.875 1.00 46.78 ? 801 GOL A O1 1 HETATM 3714 C C2 . GOL V 6 . ? 4.258 6.547 23.862 1.00 46.66 ? 801 GOL A C2 1 HETATM 3715 O O2 . GOL V 6 . ? 4.186 6.386 22.458 1.00 44.93 ? 801 GOL A O2 1 HETATM 3716 C C3 . GOL V 6 . ? 5.154 7.734 24.210 1.00 47.02 ? 801 GOL A C3 1 HETATM 3717 O O3 . GOL V 6 . ? 4.960 8.772 23.272 1.00 47.93 ? 801 GOL A O3 1 HETATM 3718 O O . HOH W 7 . ? 1.660 9.822 11.882 1.00 17.78 ? 1002 HOH A O 1 HETATM 3719 O O . HOH W 7 . ? -8.623 2.757 26.013 1.00 17.57 ? 1003 HOH A O 1 HETATM 3720 O O . HOH W 7 . ? -12.433 1.539 32.995 1.00 16.67 ? 1004 HOH A O 1 HETATM 3721 O O . HOH W 7 . ? -8.561 3.363 41.518 1.00 22.42 ? 1005 HOH A O 1 HETATM 3722 O O . HOH W 7 . ? -1.987 12.280 9.443 1.00 20.77 ? 1006 HOH A O 1 HETATM 3723 O O . HOH W 7 . ? 1.247 -0.055 37.995 1.00 17.97 ? 1007 HOH A O 1 HETATM 3724 O O . HOH W 7 . ? 7.886 11.791 18.995 1.00 41.82 ? 1008 HOH A O 1 HETATM 3725 O O . HOH W 7 . ? 1.005 -15.965 33.873 1.00 24.11 ? 1009 HOH A O 1 HETATM 3726 O O . HOH W 7 . ? -9.478 -25.277 21.362 1.00 30.67 ? 1010 HOH A O 1 HETATM 3727 O O . HOH W 7 . ? 5.972 -2.570 0.039 1.00 22.09 ? 1011 HOH A O 1 HETATM 3728 O O . HOH W 7 . ? -4.956 5.061 16.568 1.00 14.74 ? 1012 HOH A O 1 HETATM 3729 O O . HOH W 7 . ? -5.654 10.860 16.542 1.00 25.15 ? 1013 HOH A O 1 HETATM 3730 O O . HOH W 7 . ? 6.737 -2.958 -2.722 1.00 28.03 ? 1015 HOH A O 1 HETATM 3731 O O . HOH W 7 . ? -14.627 3.085 34.000 1.00 23.08 ? 1016 HOH A O 1 HETATM 3732 O O . HOH W 7 . ? 14.849 -17.730 19.828 1.00 42.05 ? 1017 HOH A O 1 HETATM 3733 O O . HOH W 7 . ? -11.326 8.766 18.544 1.00 16.34 ? 1018 HOH A O 1 HETATM 3734 O O . HOH W 7 . ? 4.163 -13.055 39.637 1.00 22.35 ? 1019 HOH A O 1 HETATM 3735 O O . HOH W 7 . ? -9.178 8.046 20.310 1.00 15.16 ? 1020 HOH A O 1 HETATM 3736 O O . HOH W 7 . ? 1.576 11.225 33.935 1.00 19.38 ? 1021 HOH A O 1 HETATM 3737 O O . HOH W 7 . ? 6.175 -21.941 24.524 1.00 17.16 ? 1022 HOH A O 1 HETATM 3738 O O . HOH W 7 . ? -5.165 -7.340 31.140 1.00 20.56 ? 1023 HOH A O 1 HETATM 3739 O O . HOH W 7 . ? 13.992 -7.253 25.626 1.00 19.02 ? 1024 HOH A O 1 HETATM 3740 O O . HOH W 7 . ? -3.661 -10.468 10.404 1.00 20.10 ? 1025 HOH A O 1 HETATM 3741 O O . HOH W 7 . ? -27.658 -9.448 30.252 1.00 36.78 ? 1026 HOH A O 1 HETATM 3742 O O . HOH W 7 . ? -13.795 8.137 27.049 1.00 14.07 ? 1027 HOH A O 1 HETATM 3743 O O . HOH W 7 . ? -9.765 -17.339 15.972 1.00 32.32 ? 1028 HOH A O 1 HETATM 3744 O O . HOH W 7 . ? -1.044 7.384 14.556 1.00 15.02 ? 1029 HOH A O 1 HETATM 3745 O O . HOH W 7 . ? -8.255 -7.200 20.269 1.00 16.84 ? 1030 HOH A O 1 HETATM 3746 O O . HOH W 7 . ? 8.923 -21.988 27.079 1.00 17.32 ? 1031 HOH A O 1 HETATM 3747 O O . HOH W 7 . ? 3.197 10.471 9.554 1.00 17.80 ? 1032 HOH A O 1 HETATM 3748 O O . HOH W 7 . ? -3.457 -15.090 34.476 1.00 29.24 ? 1033 HOH A O 1 HETATM 3749 O O . HOH W 7 . ? -4.979 13.949 31.326 1.00 18.19 ? 1034 HOH A O 1 HETATM 3750 O O . HOH W 7 . ? -24.067 -1.118 37.149 1.00 24.64 ? 1035 HOH A O 1 HETATM 3751 O O . HOH W 7 . ? -14.557 -2.392 -1.417 1.00 34.11 ? 1036 HOH A O 1 HETATM 3752 O O . HOH W 7 . ? 9.653 5.103 14.854 1.00 19.66 ? 1037 HOH A O 1 HETATM 3753 O O . HOH W 7 . ? -1.044 -4.094 28.909 1.00 18.00 ? 1038 HOH A O 1 HETATM 3754 O O . HOH W 7 . ? -8.061 -4.945 27.485 1.00 16.23 ? 1039 HOH A O 1 HETATM 3755 O O . HOH W 7 . ? -13.361 -11.590 18.059 1.00 23.77 ? 1040 HOH A O 1 HETATM 3756 O O . HOH W 7 . ? 3.560 16.788 5.493 1.00 49.66 ? 1041 HOH A O 1 HETATM 3757 O O . HOH W 7 . ? 20.203 -13.343 25.234 1.00 26.49 ? 1042 HOH A O 1 HETATM 3758 O O . HOH W 7 . ? 1.395 9.496 16.869 1.00 17.87 ? 1043 HOH A O 1 HETATM 3759 O O . HOH W 7 . ? 4.670 1.398 37.332 1.00 20.75 ? 1044 HOH A O 1 HETATM 3760 O O . HOH W 7 . ? 3.080 -4.637 25.492 1.00 15.01 ? 1045 HOH A O 1 HETATM 3761 O O . HOH W 7 . ? -1.410 6.710 39.598 1.00 25.84 ? 1046 HOH A O 1 HETATM 3762 O O . HOH W 7 . ? -13.031 10.127 15.747 1.00 19.01 ? 1047 HOH A O 1 HETATM 3763 O O . HOH W 7 . ? 2.385 13.987 34.608 1.00 20.79 ? 1048 HOH A O 1 HETATM 3764 O O . HOH W 7 . ? -9.084 8.175 16.839 1.00 29.70 ? 1049 HOH A O 1 HETATM 3765 O O . HOH W 7 . ? -4.383 6.396 31.399 1.00 18.72 ? 1050 HOH A O 1 HETATM 3766 O O . HOH W 7 . ? 12.259 -7.755 34.578 1.00 37.49 ? 1051 HOH A O 1 HETATM 3767 O O . HOH W 7 . ? -13.623 -22.151 18.689 1.00 27.73 ? 1052 HOH A O 1 HETATM 3768 O O . HOH W 7 . ? -13.212 7.013 17.570 1.00 17.98 ? 1053 HOH A O 1 HETATM 3769 O O . HOH W 7 . ? -4.013 -4.897 -6.432 1.00 33.82 ? 1054 HOH A O 1 HETATM 3770 O O . HOH W 7 . ? -10.960 -14.889 -8.053 1.00 49.28 ? 1055 HOH A O 1 HETATM 3771 O O . HOH W 7 . ? 2.304 -6.274 14.378 1.00 16.88 ? 1056 HOH A O 1 HETATM 3772 O O . HOH W 7 . ? 0.328 -6.308 16.156 1.00 14.24 ? 1057 HOH A O 1 HETATM 3773 O O . HOH W 7 . ? -2.277 -26.407 25.463 1.00 19.84 ? 1058 HOH A O 1 HETATM 3774 O O . HOH W 7 . ? -24.167 -2.983 29.358 1.00 28.26 ? 1059 HOH A O 1 HETATM 3775 O O . HOH W 7 . ? -12.777 11.364 28.730 1.00 26.74 ? 1060 HOH A O 1 HETATM 3776 O O . HOH W 7 . ? 7.726 -3.579 19.136 1.00 17.68 ? 1061 HOH A O 1 HETATM 3777 O O . HOH W 7 . ? -6.381 4.816 34.989 1.00 20.58 ? 1062 HOH A O 1 HETATM 3778 O O . HOH W 7 . ? -11.625 -4.750 16.470 1.00 16.98 ? 1063 HOH A O 1 HETATM 3779 O O . HOH W 7 . ? -18.035 -4.453 34.463 1.00 20.93 ? 1064 HOH A O 1 HETATM 3780 O O . HOH W 7 . ? -6.063 -4.703 31.577 1.00 20.62 ? 1065 HOH A O 1 HETATM 3781 O O . HOH W 7 . ? 12.067 9.430 12.810 1.00 23.57 ? 1066 HOH A O 1 HETATM 3782 O O . HOH W 7 . ? -20.464 -1.795 8.009 1.00 23.48 ? 1067 HOH A O 1 HETATM 3783 O O . HOH W 7 . ? -1.122 12.422 40.323 1.00 50.00 ? 1068 HOH A O 1 HETATM 3784 O O . HOH W 7 . ? 10.666 5.517 18.084 1.00 19.20 ? 1069 HOH A O 1 HETATM 3785 O O . HOH W 7 . ? -9.647 14.242 23.431 1.00 30.33 ? 1070 HOH A O 1 HETATM 3786 O O . HOH W 7 . ? -4.852 1.441 25.926 1.00 14.55 ? 1071 HOH A O 1 HETATM 3787 O O . HOH W 7 . ? -1.522 -1.031 4.566 1.00 25.75 ? 1072 HOH A O 1 HETATM 3788 O O . HOH W 7 . ? -13.924 3.180 41.045 1.00 28.59 ? 1073 HOH A O 1 HETATM 3789 O O . HOH W 7 . ? 15.096 8.837 33.712 1.00 39.07 ? 1074 HOH A O 1 HETATM 3790 O O . HOH W 7 . ? -10.390 -2.202 -5.886 1.00 35.89 ? 1075 HOH A O 1 HETATM 3791 O O . HOH W 7 . ? -7.834 -9.774 11.981 1.00 33.66 ? 1076 HOH A O 1 HETATM 3792 O O . HOH W 7 . ? 15.809 3.327 28.271 1.00 34.27 ? 1077 HOH A O 1 HETATM 3793 O O . HOH W 7 . ? -3.499 -15.266 38.309 1.00 25.37 ? 1078 HOH A O 1 HETATM 3794 O O . HOH W 7 . ? -22.833 11.133 24.124 1.00 33.26 ? 1079 HOH A O 1 HETATM 3795 O O . HOH W 7 . ? -25.777 3.898 32.820 1.00 31.39 ? 1080 HOH A O 1 HETATM 3796 O O . HOH W 7 . ? 13.687 -13.087 2.281 1.00 26.37 ? 1081 HOH A O 1 HETATM 3797 O O . HOH W 7 . ? -20.468 8.712 17.927 1.00 26.45 ? 1082 HOH A O 1 HETATM 3798 O O . HOH W 7 . ? 1.363 0.995 -5.384 1.00 25.18 ? 1083 HOH A O 1 HETATM 3799 O O . HOH W 7 . ? -6.081 -18.271 14.371 1.00 36.56 ? 1084 HOH A O 1 HETATM 3800 O O . HOH W 7 . ? -20.040 8.887 9.105 1.00 22.24 ? 1085 HOH A O 1 HETATM 3801 O O . HOH W 7 . ? -9.920 1.358 29.101 1.00 18.24 ? 1086 HOH A O 1 HETATM 3802 O O . HOH W 7 . ? -7.142 5.487 19.769 1.00 20.44 ? 1087 HOH A O 1 HETATM 3803 O O . HOH W 7 . ? -6.857 -0.012 -12.143 1.00 35.17 ? 1088 HOH A O 1 HETATM 3804 O O . HOH W 7 . ? 24.351 -3.176 32.111 1.00 52.74 ? 1089 HOH A O 1 HETATM 3805 O O . HOH W 7 . ? -10.548 15.156 13.839 1.00 39.68 ? 1090 HOH A O 1 HETATM 3806 O O . HOH W 7 . ? -13.880 -1.864 39.879 1.00 32.00 ? 1091 HOH A O 1 HETATM 3807 O O . HOH W 7 . ? 18.613 5.598 18.560 1.00 26.66 ? 1092 HOH A O 1 HETATM 3808 O O . HOH W 7 . ? -0.097 10.011 26.429 1.00 22.16 ? 1093 HOH A O 1 HETATM 3809 O O . HOH W 7 . ? 16.863 2.180 26.118 1.00 25.19 ? 1094 HOH A O 1 HETATM 3810 O O . HOH W 7 . ? -19.420 -12.696 16.796 1.00 31.16 ? 1095 HOH A O 1 HETATM 3811 O O . HOH W 7 . ? -14.975 10.902 26.371 1.00 31.59 ? 1096 HOH A O 1 HETATM 3812 O O . HOH W 7 . ? -6.089 -8.791 16.219 1.00 31.71 ? 1097 HOH A O 1 HETATM 3813 O O . HOH W 7 . ? -13.069 -2.308 9.867 1.00 24.20 ? 1098 HOH A O 1 HETATM 3814 O O . HOH W 7 . ? 0.055 5.244 6.294 1.00 13.74 ? 1099 HOH A O 1 HETATM 3815 O O . HOH W 7 . ? 10.895 9.555 5.125 1.00 25.72 ? 1100 HOH A O 1 HETATM 3816 O O . HOH W 7 . ? -2.215 16.485 19.389 1.00 34.00 ? 1101 HOH A O 1 HETATM 3817 O O . HOH W 7 . ? 11.433 6.809 13.208 1.00 24.54 ? 1102 HOH A O 1 HETATM 3818 O O . HOH W 7 . ? -12.337 -17.968 -2.589 1.00 46.68 ? 1103 HOH A O 1 HETATM 3819 O O . HOH W 7 . ? -1.409 -4.484 -18.636 1.00 35.87 ? 1104 HOH A O 1 HETATM 3820 O O . HOH W 7 . ? -17.341 11.130 6.109 1.00 29.96 ? 1105 HOH A O 1 HETATM 3821 O O . HOH W 7 . ? -9.095 -5.651 15.870 1.00 22.97 ? 1106 HOH A O 1 HETATM 3822 O O . HOH W 7 . ? 15.333 -8.362 28.036 1.00 23.69 ? 1107 HOH A O 1 HETATM 3823 O O . HOH W 7 . ? -15.575 -6.347 25.852 1.00 28.18 ? 1108 HOH A O 1 HETATM 3824 O O . HOH W 7 . ? 16.008 -8.968 5.399 1.00 23.32 ? 1109 HOH A O 1 HETATM 3825 O O . HOH W 7 . ? -0.471 -9.005 16.617 1.00 21.90 ? 1110 HOH A O 1 HETATM 3826 O O . HOH W 7 . ? -13.865 -10.368 38.549 1.00 31.58 ? 1111 HOH A O 1 HETATM 3827 O O . HOH W 7 . ? -7.923 -3.274 29.990 1.00 20.78 ? 1112 HOH A O 1 HETATM 3828 O O . HOH W 7 . ? -19.421 -19.223 17.429 1.00 49.51 ? 1113 HOH A O 1 HETATM 3829 O O . HOH W 7 . ? -11.095 -15.290 18.388 1.00 32.82 ? 1114 HOH A O 1 HETATM 3830 O O . HOH W 7 . ? -24.000 14.615 9.525 1.00 37.87 ? 1115 HOH A O 1 HETATM 3831 O O . HOH W 7 . ? -26.691 2.612 30.740 1.00 38.40 ? 1116 HOH A O 1 HETATM 3832 O O . HOH W 7 . ? -3.327 -9.953 13.787 1.00 36.29 ? 1117 HOH A O 1 HETATM 3833 O O . HOH W 7 . ? -7.587 -5.430 43.023 1.00 40.78 ? 1118 HOH A O 1 HETATM 3834 O O . HOH W 7 . ? -8.031 1.059 -5.358 1.00 26.64 ? 1119 HOH A O 1 HETATM 3835 O O . HOH W 7 . ? -4.484 -5.920 44.685 1.00 46.59 ? 1120 HOH A O 1 HETATM 3836 O O . HOH W 7 . ? 6.813 -19.969 10.126 1.00 37.87 ? 1121 HOH A O 1 HETATM 3837 O O . HOH W 7 . ? -25.930 8.132 6.603 1.00 42.98 ? 1122 HOH A O 1 HETATM 3838 O O . HOH W 7 . ? -13.215 14.521 22.713 1.00 37.00 ? 1123 HOH A O 1 HETATM 3839 O O . HOH W 7 . ? 2.709 -8.837 13.398 1.00 20.51 ? 1124 HOH A O 1 HETATM 3840 O O . HOH W 7 . ? -16.424 -18.151 15.221 1.00 30.67 ? 1125 HOH A O 1 HETATM 3841 O O . HOH W 7 . ? 0.536 -23.431 29.122 1.00 23.16 ? 1126 HOH A O 1 HETATM 3842 O O . HOH W 7 . ? 12.629 -2.571 -7.219 1.00 43.39 ? 1127 HOH A O 1 HETATM 3843 O O . HOH W 7 . ? 13.751 -8.854 1.493 1.00 33.26 ? 1128 HOH A O 1 HETATM 3844 O O . HOH W 7 . ? -15.751 -9.240 39.711 1.00 29.49 ? 1129 HOH A O 1 HETATM 3845 O O . HOH W 7 . ? -20.376 11.457 18.945 1.00 32.51 ? 1130 HOH A O 1 HETATM 3846 O O . HOH W 7 . ? -4.475 -13.716 16.232 1.00 36.07 ? 1131 HOH A O 1 HETATM 3847 O O . HOH W 7 . ? 3.125 -18.528 15.960 1.00 33.23 ? 1132 HOH A O 1 HETATM 3848 O O . HOH W 7 . ? 16.690 -6.771 4.178 1.00 32.06 ? 1133 HOH A O 1 HETATM 3849 O O . HOH W 7 . ? 6.965 6.984 1.156 1.00 32.29 ? 1134 HOH A O 1 HETATM 3850 O O . HOH W 7 . ? -2.323 -7.876 -18.590 1.00 47.96 ? 1135 HOH A O 1 HETATM 3851 O O . HOH W 7 . ? -23.238 8.822 28.904 1.00 35.81 ? 1136 HOH A O 1 HETATM 3852 O O . HOH W 7 . ? 15.534 -3.576 -6.300 1.00 42.90 ? 1137 HOH A O 1 HETATM 3853 O O . HOH W 7 . ? -11.402 -13.239 14.756 1.00 23.83 ? 1138 HOH A O 1 HETATM 3854 O O . HOH W 7 . ? -15.714 -12.716 14.925 1.00 30.82 ? 1139 HOH A O 1 HETATM 3855 O O . HOH W 7 . ? -0.885 -16.357 -2.746 1.00 27.74 ? 1140 HOH A O 1 HETATM 3856 O O . HOH W 7 . ? -15.244 -9.468 0.818 1.00 29.72 ? 1141 HOH A O 1 HETATM 3857 O O . HOH W 7 . ? 20.157 6.285 11.355 1.00 41.05 ? 1142 HOH A O 1 HETATM 3858 O O . HOH W 7 . ? -19.970 7.650 0.687 1.00 41.20 ? 1143 HOH A O 1 HETATM 3859 O O . HOH W 7 . ? -6.545 -3.036 43.909 1.00 42.62 ? 1144 HOH A O 1 HETATM 3860 O O . HOH W 7 . ? -14.958 15.388 19.324 1.00 27.24 ? 1145 HOH A O 1 HETATM 3861 O O . HOH W 7 . ? 18.717 0.082 25.931 1.00 29.45 ? 1146 HOH A O 1 HETATM 3862 O O . HOH W 7 . ? 1.375 -10.652 41.444 1.00 26.78 ? 1147 HOH A O 1 HETATM 3863 O O . HOH W 7 . ? -12.341 13.858 11.714 1.00 30.94 ? 1148 HOH A O 1 HETATM 3864 O O . HOH W 7 . ? -11.033 -2.508 8.080 1.00 29.08 ? 1149 HOH A O 1 HETATM 3865 O O . HOH W 7 . ? 15.007 -13.518 4.579 1.00 36.42 ? 1150 HOH A O 1 HETATM 3866 O O . HOH W 7 . ? -10.045 -19.450 35.944 1.00 43.54 ? 1151 HOH A O 1 HETATM 3867 O O . HOH W 7 . ? 9.894 -13.538 -8.672 1.00 36.36 ? 1152 HOH A O 1 HETATM 3868 O O . HOH W 7 . ? -11.156 9.027 0.509 1.00 34.84 ? 1153 HOH A O 1 HETATM 3869 O O . HOH W 7 . ? -20.800 11.184 21.936 1.00 38.24 ? 1154 HOH A O 1 HETATM 3870 O O . HOH W 7 . ? -27.067 3.328 9.906 1.00 38.60 ? 1155 HOH A O 1 HETATM 3871 O O . HOH W 7 . ? -8.081 -9.470 38.809 1.00 25.93 ? 1156 HOH A O 1 HETATM 3872 O O . HOH W 7 . ? -23.173 -5.004 31.146 1.00 27.43 ? 1157 HOH A O 1 HETATM 3873 O O . HOH W 7 . ? 12.726 -9.155 -1.326 1.00 27.77 ? 1158 HOH A O 1 HETATM 3874 O O . HOH W 7 . ? 14.672 9.185 12.026 1.00 30.16 ? 1159 HOH A O 1 HETATM 3875 O O . HOH W 7 . ? 12.995 7.494 2.695 1.00 30.93 ? 1160 HOH A O 1 HETATM 3876 O O . HOH W 7 . ? 8.421 -10.135 39.334 1.00 36.70 ? 1161 HOH A O 1 HETATM 3877 O O . HOH W 7 . ? 6.207 -22.178 13.336 1.00 33.75 ? 1163 HOH A O 1 HETATM 3878 O O . HOH W 7 . ? -28.697 -7.046 26.576 1.00 35.64 ? 1164 HOH A O 1 HETATM 3879 O O . HOH W 7 . ? 2.022 -8.523 -13.676 1.00 37.14 ? 1165 HOH A O 1 HETATM 3880 O O . HOH W 7 . ? 7.829 0.646 -8.179 1.00 33.62 ? 1166 HOH A O 1 HETATM 3881 O O . HOH W 7 . ? -16.353 -6.745 38.937 1.00 33.62 ? 1167 HOH A O 1 HETATM 3882 O O . HOH W 7 . ? -11.767 1.587 -4.400 1.00 35.21 ? 1168 HOH A O 1 HETATM 3883 O O . HOH W 7 . ? 11.305 -8.694 -19.292 1.00 36.24 ? 1169 HOH A O 1 HETATM 3884 O O . HOH W 7 . ? 1.031 2.688 -8.526 1.00 33.97 ? 1170 HOH A O 1 HETATM 3885 O O . HOH W 7 . ? 20.346 -8.454 33.007 1.00 37.66 ? 1171 HOH A O 1 HETATM 3886 O O . HOH W 7 . ? 18.961 -4.815 9.918 1.00 30.52 ? 1172 HOH A O 1 HETATM 3887 O O . HOH W 7 . ? -0.847 4.347 -5.962 1.00 29.63 ? 1173 HOH A O 1 HETATM 3888 O O . HOH W 7 . ? 0.636 15.823 14.635 1.00 26.73 ? 1174 HOH A O 1 HETATM 3889 O O . HOH W 7 . ? -30.501 -0.468 14.769 1.00 39.85 ? 1175 HOH A O 1 HETATM 3890 O O . HOH W 7 . ? 2.243 2.811 -3.440 1.00 28.52 ? 1176 HOH A O 1 HETATM 3891 O O . HOH W 7 . ? -14.334 0.395 41.303 1.00 38.28 ? 1177 HOH A O 1 HETATM 3892 O O . HOH W 7 . ? 11.266 -10.535 -3.160 1.00 29.03 ? 1178 HOH A O 1 HETATM 3893 O O . HOH W 7 . ? 12.914 -9.068 31.719 1.00 38.59 ? 1179 HOH A O 1 HETATM 3894 O O . HOH W 7 . ? -2.138 -24.328 8.094 1.00 46.12 ? 1180 HOH A O 1 HETATM 3895 O O . HOH W 7 . ? -5.241 -8.692 -5.840 1.00 36.84 ? 1181 HOH A O 1 HETATM 3896 O O . HOH W 7 . ? 6.365 -5.267 -18.495 1.00 42.09 ? 1182 HOH A O 1 HETATM 3897 O O . HOH W 7 . ? -5.085 -10.946 41.596 1.00 31.14 ? 1183 HOH A O 1 HETATM 3898 O O . HOH W 7 . ? -15.857 16.287 13.684 1.00 38.72 ? 1185 HOH A O 1 HETATM 3899 O O . HOH W 7 . ? 20.660 -5.322 21.879 1.00 28.02 ? 1186 HOH A O 1 HETATM 3900 O O . HOH W 7 . ? 0.995 -1.449 -16.230 1.00 34.45 ? 1187 HOH A O 1 HETATM 3901 O O . HOH W 7 . ? -6.697 -9.255 -16.877 1.00 38.06 ? 1188 HOH A O 1 HETATM 3902 O O . HOH W 7 . ? 16.045 0.995 0.351 1.00 38.29 ? 1189 HOH A O 1 HETATM 3903 O O . HOH W 7 . ? -18.333 -14.428 9.610 1.00 44.09 ? 1190 HOH A O 1 HETATM 3904 O O . HOH W 7 . ? -7.235 0.009 -7.748 1.00 36.85 ? 1191 HOH A O 1 HETATM 3905 O O . HOH W 7 . ? -7.784 -26.021 29.276 1.00 29.47 ? 1192 HOH A O 1 HETATM 3906 O O . HOH W 7 . ? -6.770 16.979 15.094 1.00 28.97 ? 1193 HOH A O 1 HETATM 3907 O O . HOH W 7 . ? 4.376 -20.575 20.504 1.00 23.01 ? 1194 HOH A O 1 HETATM 3908 O O . HOH W 7 . ? -16.740 3.780 37.382 1.00 27.63 ? 1195 HOH A O 1 HETATM 3909 O O . HOH W 7 . ? 17.797 -6.264 25.351 1.00 44.67 ? 1196 HOH A O 1 HETATM 3910 O O . HOH W 7 . ? -13.916 -27.663 27.345 1.00 36.16 ? 1197 HOH A O 1 HETATM 3911 O O . HOH W 7 . ? -29.456 2.980 17.001 1.00 30.28 ? 1198 HOH A O 1 HETATM 3912 O O . HOH W 7 . ? 3.509 6.847 33.666 1.00 32.60 ? 1199 HOH A O 1 HETATM 3913 O O . HOH W 7 . ? -30.389 -10.321 17.473 1.00 37.48 ? 1200 HOH A O 1 HETATM 3914 O O . HOH W 7 . ? 12.364 12.277 9.423 1.00 43.31 ? 1201 HOH A O 1 HETATM 3915 O O . HOH W 7 . ? -30.514 -3.600 20.990 1.00 46.29 ? 1202 HOH A O 1 HETATM 3916 O O . HOH W 7 . ? 0.654 4.938 -3.732 1.00 25.36 ? 1203 HOH A O 1 HETATM 3917 O O . HOH W 7 . ? -19.927 11.364 28.337 1.00 33.05 ? 1204 HOH A O 1 HETATM 3918 O O . HOH W 7 . ? -8.099 -9.747 -6.102 1.00 40.95 ? 1206 HOH A O 1 HETATM 3919 O O . HOH W 7 . ? -0.714 -15.806 36.187 1.00 33.50 ? 1207 HOH A O 1 HETATM 3920 O O . HOH W 7 . ? 6.607 5.277 -1.807 1.00 40.10 ? 1208 HOH A O 1 HETATM 3921 O O . HOH W 7 . ? -9.686 -14.558 -0.495 1.00 40.34 ? 1209 HOH A O 1 HETATM 3922 O O . HOH W 7 . ? -11.827 -24.674 18.911 1.00 37.65 ? 1210 HOH A O 1 HETATM 3923 O O . HOH W 7 . ? -10.460 -11.771 11.866 1.00 30.88 ? 1211 HOH A O 1 HETATM 3924 O O . HOH W 7 . ? -23.737 -4.459 12.942 1.00 42.17 ? 1212 HOH A O 1 HETATM 3925 O O . HOH W 7 . ? -14.475 4.136 -0.750 1.00 31.96 ? 1213 HOH A O 1 HETATM 3926 O O . HOH W 7 . ? 9.418 -17.455 -1.683 1.00 43.32 ? 1214 HOH A O 1 HETATM 3927 O O . HOH W 7 . ? -13.484 -6.068 -3.788 1.00 33.02 ? 1215 HOH A O 1 HETATM 3928 O O . HOH W 7 . ? 10.188 5.946 36.886 1.00 45.84 ? 1216 HOH A O 1 HETATM 3929 O O . HOH W 7 . ? -10.911 5.193 41.088 1.00 26.51 ? 1217 HOH A O 1 HETATM 3930 O O . HOH W 7 . ? 14.880 -18.212 26.172 1.00 30.61 ? 1218 HOH A O 1 HETATM 3931 O O . HOH W 7 . ? -2.674 -9.256 18.248 1.00 42.53 ? 1219 HOH A O 1 HETATM 3932 O O . HOH W 7 . ? -12.806 -14.078 16.761 1.00 33.76 ? 1220 HOH A O 1 HETATM 3933 O O . HOH W 7 . ? -21.522 -3.504 -1.260 1.00 42.14 ? 1221 HOH A O 1 HETATM 3934 O O . HOH W 7 . ? -1.610 -20.065 -4.615 1.00 31.79 ? 1222 HOH A O 1 HETATM 3935 O O . HOH W 7 . ? -10.775 16.430 10.260 1.00 36.38 ? 1223 HOH A O 1 HETATM 3936 O O . HOH W 7 . ? -27.492 6.064 12.750 1.00 35.31 ? 1224 HOH A O 1 HETATM 3937 O O . HOH W 7 . ? 11.826 -8.492 -5.424 1.00 34.04 ? 1225 HOH A O 1 HETATM 3938 O O . HOH W 7 . ? 21.394 -6.548 16.775 1.00 36.40 ? 1226 HOH A O 1 HETATM 3939 O O . HOH W 7 . ? -10.192 -5.019 -5.021 1.00 36.60 ? 1227 HOH A O 1 HETATM 3940 O O . HOH W 7 . ? -20.146 4.229 37.404 1.00 42.67 ? 1228 HOH A O 1 HETATM 3941 O O . HOH W 7 . ? 15.864 -2.570 25.384 1.00 33.31 ? 1229 HOH A O 1 HETATM 3942 O O . HOH W 7 . ? 16.516 0.251 -5.437 1.00 39.99 ? 1230 HOH A O 1 HETATM 3943 O O . HOH W 7 . ? 11.548 -14.807 -4.479 1.00 43.50 ? 1231 HOH A O 1 HETATM 3944 O O . HOH W 7 . ? -24.701 -4.798 4.214 1.00 40.31 ? 1232 HOH A O 1 HETATM 3945 O O . HOH W 7 . ? -24.190 14.076 6.394 1.00 41.24 ? 1233 HOH A O 1 HETATM 3946 O O . HOH W 7 . ? 8.655 -19.699 1.662 1.00 41.80 ? 1235 HOH A O 1 HETATM 3947 O O . HOH W 7 . ? 12.239 1.089 39.341 1.00 44.37 ? 1237 HOH A O 1 HETATM 3948 O O . HOH W 7 . ? -0.793 2.787 -14.132 1.00 34.89 ? 1238 HOH A O 1 HETATM 3949 O O . HOH W 7 . ? -21.404 -8.901 8.716 1.00 40.96 ? 1239 HOH A O 1 HETATM 3950 O O . HOH W 7 . ? 16.927 1.402 31.983 1.00 37.18 ? 1240 HOH A O 1 HETATM 3951 O O . HOH W 7 . ? 0.324 -16.663 4.292 1.00 28.22 ? 1241 HOH A O 1 HETATM 3952 O O . HOH W 7 . ? -10.159 0.936 41.912 1.00 46.63 ? 1243 HOH A O 1 HETATM 3953 O O . HOH W 7 . ? -9.405 -3.109 -11.024 1.00 45.36 ? 1244 HOH A O 1 HETATM 3954 O O . HOH W 7 . ? -22.497 1.210 36.701 1.00 44.55 ? 1245 HOH A O 1 HETATM 3955 O O . HOH W 7 . ? -2.305 -21.481 16.281 1.00 30.49 ? 1246 HOH A O 1 HETATM 3956 O O . HOH W 7 . ? -6.430 -21.293 10.155 1.00 34.40 ? 1247 HOH A O 1 HETATM 3957 O O . HOH W 7 . ? -4.946 5.456 41.948 1.00 34.78 ? 1248 HOH A O 1 HETATM 3958 O O . HOH W 7 . ? -0.875 -18.532 2.892 1.00 35.96 ? 1249 HOH A O 1 HETATM 3959 O O . HOH W 7 . ? -5.474 -22.299 6.583 1.00 37.63 ? 1250 HOH A O 1 HETATM 3960 O O . HOH W 7 . ? 18.693 6.625 21.007 1.00 41.01 ? 1251 HOH A O 1 HETATM 3961 O O . HOH W 7 . ? -23.940 4.037 24.706 1.00 38.53 ? 1252 HOH A O 1 HETATM 3962 O O . HOH W 7 . ? -26.724 4.170 28.147 1.00 41.37 ? 1253 HOH A O 1 HETATM 3963 O O . HOH W 7 . ? 12.581 -16.546 2.426 1.00 44.38 ? 1254 HOH A O 1 HETATM 3964 O O . HOH W 7 . ? 19.371 4.381 4.652 1.00 47.20 ? 1255 HOH A O 1 HETATM 3965 O O . HOH W 7 . ? 16.929 -6.747 40.920 1.00 43.91 ? 1256 HOH A O 1 HETATM 3966 O O . HOH W 7 . ? -16.324 -16.264 13.307 1.00 39.48 ? 1257 HOH A O 1 HETATM 3967 O O . HOH W 7 . ? -22.812 -9.274 37.192 1.00 36.24 ? 1258 HOH A O 1 HETATM 3968 O O . HOH W 7 . ? -24.832 -14.586 15.083 1.00 33.30 ? 1259 HOH A O 1 HETATM 3969 O O . HOH W 7 . ? -21.178 -22.136 31.166 1.00 42.59 ? 1260 HOH A O 1 HETATM 3970 O O . HOH W 7 . ? -16.592 -21.815 31.531 1.00 43.71 ? 1261 HOH A O 1 HETATM 3971 O O . HOH W 7 . ? -3.117 -20.470 31.156 1.00 26.44 ? 1262 HOH A O 1 HETATM 3972 O O . HOH W 7 . ? -28.836 -5.650 24.436 1.00 42.29 ? 1263 HOH A O 1 HETATM 3973 O O . HOH W 7 . ? 20.647 -2.916 23.909 1.00 36.80 ? 1264 HOH A O 1 HETATM 3974 O O . HOH W 7 . ? 21.664 3.766 0.957 1.00 50.97 ? 1266 HOH A O 1 HETATM 3975 O O . HOH W 7 . ? -17.564 17.227 9.736 1.00 42.81 ? 1268 HOH A O 1 HETATM 3976 O O . HOH W 7 . ? -29.493 6.369 20.164 1.00 33.14 ? 1270 HOH A O 1 HETATM 3977 O O . HOH W 7 . ? -16.207 11.919 31.520 1.00 34.06 ? 1271 HOH A O 1 HETATM 3978 O O . HOH W 7 . ? -22.490 12.670 17.947 1.00 48.03 ? 1272 HOH A O 1 HETATM 3979 O O . HOH W 7 . ? 0.976 -15.880 -16.508 1.00 38.23 ? 1273 HOH A O 1 HETATM 3980 O O . HOH W 7 . ? -0.351 14.833 36.355 1.00 31.90 ? 1274 HOH A O 1 HETATM 3981 O O . HOH W 7 . ? -12.846 -3.156 -3.393 1.00 32.81 ? 1275 HOH A O 1 HETATM 3982 O O . HOH W 7 . ? -14.726 -25.203 19.343 1.00 45.57 ? 1276 HOH A O 1 HETATM 3983 O O . HOH W 7 . ? -30.615 1.287 23.919 1.00 50.27 ? 1277 HOH A O 1 HETATM 3984 O O . HOH W 7 . ? -0.001 3.198 -11.670 1.00 37.33 ? 1278 HOH A O 1 HETATM 3985 O O . HOH W 7 . ? 2.747 -17.555 3.659 1.00 39.14 ? 1279 HOH A O 1 HETATM 3986 O O . HOH W 7 . ? -10.437 -16.069 36.874 1.00 42.11 ? 1280 HOH A O 1 HETATM 3987 O O . HOH W 7 . ? 17.641 -3.497 8.036 1.00 35.30 ? 1281 HOH A O 1 HETATM 3988 O O . HOH W 7 . ? -10.748 -9.605 -4.545 1.00 39.79 ? 1282 HOH A O 1 HETATM 3989 O O . HOH W 7 . ? -22.865 15.549 14.927 1.00 46.01 ? 1283 HOH A O 1 HETATM 3990 O O . HOH W 7 . ? 4.153 -17.442 -2.148 1.00 48.55 ? 1284 HOH A O 1 HETATM 3991 O O . HOH W 7 . ? -25.364 6.800 27.773 1.00 40.99 ? 1285 HOH A O 1 HETATM 3992 O O . HOH W 7 . ? 24.397 -0.733 11.059 1.00 46.64 ? 1287 HOH A O 1 HETATM 3993 O O . HOH W 7 . ? -6.038 -24.065 -0.733 1.00 50.54 ? 1288 HOH A O 1 HETATM 3994 O O . HOH W 7 . ? 3.497 3.119 39.434 1.00 40.26 ? 1289 HOH A O 1 HETATM 3995 O O . HOH W 7 . ? 14.644 -12.877 32.694 1.00 37.95 ? 1290 HOH A O 1 HETATM 3996 O O . HOH W 7 . ? -2.337 0.624 -17.052 1.00 34.02 ? 1291 HOH A O 1 HETATM 3997 O O . HOH W 7 . ? 20.304 7.937 17.160 1.00 39.40 ? 1292 HOH A O 1 HETATM 3998 O O . HOH W 7 . ? -7.683 -11.124 -8.639 1.00 33.17 ? 1293 HOH A O 1 HETATM 3999 O O . HOH W 7 . ? -8.895 -7.214 -14.281 1.00 44.63 ? 1294 HOH A O 1 HETATM 4000 O O . HOH W 7 . ? -29.010 7.010 17.514 1.00 40.91 ? 1296 HOH A O 1 HETATM 4001 O O . HOH W 7 . ? -13.473 -14.022 39.196 1.00 44.93 ? 1297 HOH A O 1 HETATM 4002 O O . HOH W 7 . ? 11.675 6.644 33.233 1.00 37.06 ? 1299 HOH A O 1 HETATM 4003 O O . HOH W 7 . ? -25.310 -6.116 40.063 1.00 40.58 ? 1300 HOH A O 1 HETATM 4004 O O . HOH W 7 . ? 7.179 14.559 7.136 1.00 40.79 ? 1301 HOH A O 1 HETATM 4005 O O . HOH W 7 . ? -1.444 11.474 -0.564 1.00 37.49 ? 1302 HOH A O 1 HETATM 4006 O O . HOH W 7 . ? -19.816 -10.868 12.296 1.00 38.77 ? 1304 HOH A O 1 HETATM 4007 O O . HOH W 7 . ? 18.065 -7.749 2.044 1.00 35.48 ? 1305 HOH A O 1 HETATM 4008 O O . HOH W 7 . ? -3.620 3.671 43.465 1.00 45.65 ? 1306 HOH A O 1 HETATM 4009 O O . HOH W 7 . ? -15.827 14.714 22.748 1.00 45.84 ? 1309 HOH A O 1 HETATM 4010 O O . HOH W 7 . ? 0.202 -19.244 -17.162 1.00 38.32 ? 1310 HOH A O 1 HETATM 4011 O O . HOH W 7 . ? 21.751 -11.328 22.748 1.00 30.02 ? 1311 HOH A O 1 HETATM 4012 O O . HOH W 7 . ? -18.697 -12.724 14.314 1.00 41.78 ? 1312 HOH A O 1 HETATM 4013 O O . HOH W 7 . ? -29.977 2.807 27.958 1.00 39.04 ? 1313 HOH A O 1 HETATM 4014 O O . HOH W 7 . ? -14.150 18.659 6.435 1.00 42.11 ? 1314 HOH A O 1 HETATM 4015 O O . HOH W 7 . ? -10.545 4.882 -3.583 1.00 51.03 ? 1315 HOH A O 1 HETATM 4016 O O . HOH W 7 . ? 22.798 -10.985 14.949 1.00 43.60 ? 1319 HOH A O 1 HETATM 4017 O O . HOH W 7 . ? 10.721 -10.498 -8.895 1.00 37.58 ? 1320 HOH A O 1 HETATM 4018 O O . HOH W 7 . ? 12.574 10.083 24.011 1.00 23.12 ? 1323 HOH A O 1 HETATM 4019 O O . HOH W 7 . ? -6.669 2.212 24.134 1.00 18.70 ? 1325 HOH A O 1 HETATM 4020 O O . HOH W 7 . ? -0.417 11.575 11.716 1.00 20.48 ? 1326 HOH A O 1 HETATM 4021 O O . HOH W 7 . ? -11.704 0.300 30.836 1.00 22.73 ? 1327 HOH A O 1 HETATM 4022 O O . HOH W 7 . ? -0.977 14.250 7.892 1.00 22.83 ? 1328 HOH A O 1 HETATM 4023 O O . HOH W 7 . ? 6.932 10.912 21.329 1.00 29.17 ? 1329 HOH A O 1 HETATM 4024 O O . HOH W 7 . ? 8.665 -0.866 0.106 1.00 23.02 ? 1330 HOH A O 1 HETATM 4025 O O . HOH W 7 . ? 11.783 -2.989 38.268 1.00 37.48 ? 1331 HOH A O 1 HETATM 4026 O O . HOH W 7 . ? -1.546 -16.680 33.080 1.00 25.40 ? 1332 HOH A O 1 HETATM 4027 O O . HOH W 7 . ? -7.950 -19.369 16.113 1.00 28.97 ? 1333 HOH A O 1 HETATM 4028 O O . HOH W 7 . ? 8.993 -1.705 -2.448 1.00 32.85 ? 1334 HOH A O 1 HETATM 4029 O O . HOH W 7 . ? -7.357 9.554 17.920 1.00 29.64 ? 1335 HOH A O 1 HETATM 4030 O O . HOH W 7 . ? -24.985 2.526 34.778 1.00 39.38 ? 1336 HOH A O 1 HETATM 4031 O O . HOH W 7 . ? 6.132 12.866 17.466 1.00 44.06 ? 1337 HOH A O 1 HETATM 4032 O O . HOH W 7 . ? -27.072 -8.177 32.257 1.00 40.90 ? 1338 HOH A O 1 HETATM 4033 O O . HOH W 7 . ? -11.295 -26.477 22.679 1.00 35.61 ? 1339 HOH A O 1 HETATM 4034 O O . HOH W 7 . ? 10.535 -8.175 36.552 1.00 29.33 ? 1340 HOH A O 1 HETATM 4035 O O . HOH W 7 . ? -7.299 -10.393 14.645 1.00 34.38 ? 1341 HOH A O 1 HETATM 4036 O O . HOH W 7 . ? -5.936 -6.210 -5.005 1.00 33.14 ? 1342 HOH A O 1 HETATM 4037 O O . HOH W 7 . ? -15.964 9.529 4.530 1.00 30.50 ? 1343 HOH A O 1 HETATM 4038 O O . HOH W 7 . ? -5.294 -19.774 1.386 1.00 29.32 ? 1346 HOH A O 1 HETATM 4039 O O . HOH W 7 . ? 13.846 -1.375 34.735 1.00 40.40 ? 1348 HOH A O 1 HETATM 4040 O O . HOH W 7 . ? -30.318 -13.835 25.652 1.00 46.87 ? 1349 HOH A O 1 HETATM 4041 O O . HOH W 7 . ? -2.459 15.723 5.149 1.00 37.11 ? 1350 HOH A O 1 HETATM 4042 O O . HOH W 7 . ? -4.782 17.239 5.606 1.00 36.01 ? 1351 HOH A O 1 HETATM 4043 O O . HOH W 7 . ? -4.609 15.250 8.553 1.00 29.35 ? 1352 HOH A O 1 HETATM 4044 O O . HOH W 7 . ? 0.494 16.267 3.787 1.00 39.70 ? 1353 HOH A O 1 HETATM 4045 O O . HOH W 7 . ? 0.939 17.255 6.033 1.00 38.58 ? 1354 HOH A O 1 HETATM 4046 O O . HOH W 7 . ? -14.069 -16.101 34.826 1.00 44.38 ? 1363 HOH A O 1 HETATM 4047 O O . HOH W 7 . ? 4.076 4.738 31.035 1.00 23.69 ? 1364 HOH A O 1 HETATM 4048 O O . HOH W 7 . ? -8.158 -6.047 -6.288 1.00 35.52 ? 1365 HOH A O 1 HETATM 4049 O O . HOH W 7 . ? 4.503 4.066 -3.790 1.00 29.43 ? 1366 HOH A O 1 HETATM 4050 O O . HOH W 7 . ? -0.476 19.508 6.029 1.00 45.06 ? 1367 HOH A O 1 HETATM 4051 O O . HOH W 7 . ? -17.925 10.021 33.496 1.00 36.49 ? 1368 HOH A O 1 HETATM 4052 O O . HOH W 7 . ? -3.602 17.020 16.334 1.00 32.28 ? 1369 HOH A O 1 HETATM 4053 O O . HOH W 7 . ? 10.124 -16.965 27.169 1.00 27.58 ? 1370 HOH A O 1 HETATM 4054 O O . HOH W 7 . ? -21.669 -1.931 5.630 1.00 36.16 ? 1371 HOH A O 1 HETATM 4055 O O . HOH W 7 . ? -16.859 -3.349 -1.056 1.00 39.91 ? 1372 HOH A O 1 HETATM 4056 O O . HOH W 7 . ? -14.429 17.532 8.895 1.00 38.33 ? 1373 HOH A O 1 HETATM 4057 O O . HOH W 7 . ? 6.686 6.921 35.345 1.00 51.26 ? 1374 HOH A O 1 HETATM 4058 O O . HOH W 7 . ? -21.306 13.416 16.061 1.00 36.09 ? 1375 HOH A O 1 HETATM 4059 O O . HOH W 7 . ? 3.465 -1.972 -16.398 1.00 37.72 ? 1376 HOH A O 1 HETATM 4060 O O . HOH W 7 . ? 12.537 -12.574 36.896 1.00 40.34 ? 1377 HOH A O 1 HETATM 4061 O O . HOH W 7 . ? 0.952 4.822 39.550 1.00 40.48 ? 1378 HOH A O 1 HETATM 4062 O O . HOH W 7 . ? 1.654 -21.387 4.582 1.00 38.92 ? 1379 HOH A O 1 HETATM 4063 O O . HOH W 7 . ? 8.881 -4.260 -18.078 1.00 46.90 ? 1380 HOH A O 1 HETATM 4064 O O . HOH W 7 . ? -27.200 -11.840 29.985 1.00 41.58 ? 1381 HOH A O 1 HETATM 4065 O O . HOH W 7 . ? -7.541 17.969 18.296 1.00 36.03 ? 1382 HOH A O 1 HETATM 4066 O O . HOH W 7 . ? -15.495 16.825 1.603 1.00 62.75 ? 1383 HOH A O 1 HETATM 4067 O O . HOH W 7 . ? -26.201 4.138 7.515 1.00 42.33 ? 1384 HOH A O 1 HETATM 4068 O O . HOH W 7 . ? 10.547 -10.927 -15.939 1.00 47.23 ? 1385 HOH A O 1 HETATM 4069 O O . HOH W 7 . ? -16.017 -8.214 -2.353 1.00 41.51 ? 1386 HOH A O 1 HETATM 4070 O O . HOH W 7 . ? 10.076 -21.676 6.879 1.00 38.96 ? 1387 HOH A O 1 HETATM 4071 O O . HOH W 7 . ? -12.486 -13.677 -1.957 1.00 56.35 ? 1388 HOH A O 1 HETATM 4072 O O . HOH W 7 . ? 14.290 12.108 22.420 1.00 42.94 ? 1389 HOH A O 1 HETATM 4073 O O . HOH W 7 . ? -0.466 -19.439 34.631 1.00 43.08 ? 1391 HOH A O 1 HETATM 4074 O O . HOH W 7 . ? -7.786 -7.479 17.709 1.00 19.75 ? 1392 HOH A O 1 HETATM 4075 O O . HOH W 7 . ? -12.768 14.420 29.347 1.00 30.80 ? 1394 HOH A O 1 HETATM 4076 O O . HOH W 7 . ? -11.195 15.476 27.441 1.00 28.38 ? 1395 HOH A O 1 HETATM 4077 O O . HOH W 7 . ? -20.557 -17.227 18.269 1.00 32.59 ? 1396 HOH A O 1 HETATM 4078 O O . HOH W 7 . ? -13.741 -19.799 36.060 1.00 40.73 ? 1397 HOH A O 1 HETATM 4079 O O . HOH W 7 . ? -14.813 -16.381 32.283 1.00 45.34 ? 1398 HOH A O 1 HETATM 4080 O O . HOH W 7 . ? -0.994 16.676 16.869 1.00 31.85 ? 1399 HOH A O 1 HETATM 4081 O O . HOH W 7 . ? 5.286 13.329 21.606 1.00 20.80 ? 1400 HOH A O 1 HETATM 4082 O O . HOH W 7 . ? 13.622 12.731 13.415 1.00 39.72 ? 1401 HOH A O 1 HETATM 4083 O O . HOH W 7 . ? -25.385 -9.827 12.893 1.00 39.61 ? 1402 HOH A O 1 HETATM 4084 O O . HOH W 7 . ? -31.095 4.578 12.961 1.00 40.32 ? 1403 HOH A O 1 HETATM 4085 O O . HOH W 7 . ? 19.194 4.690 1.481 1.00 50.37 ? 1404 HOH A O 1 HETATM 4086 O O . HOH W 7 . ? 10.109 10.732 25.489 1.00 26.30 ? 1405 HOH A O 1 HETATM 4087 O O . HOH W 7 . ? 1.094 -18.182 -1.955 1.00 30.87 ? 1406 HOH A O 1 HETATM 4088 O O . HOH W 7 . ? -0.109 1.231 -15.894 1.00 36.30 ? 1407 HOH A O 1 HETATM 4089 O O . HOH W 7 . ? 11.811 -9.034 -10.900 1.00 39.92 ? 1408 HOH A O 1 HETATM 4090 O O . HOH W 7 . ? 0.010 -2.316 -19.036 1.00 39.92 ? 1409 HOH A O 1 HETATM 4091 O O . HOH W 7 . ? 12.804 -22.575 12.040 1.00 48.23 ? 1411 HOH A O 1 HETATM 4092 O O . HOH W 7 . ? 19.728 -10.446 26.281 1.00 32.35 ? 1412 HOH A O 1 HETATM 4093 O O . HOH W 7 . ? 17.419 -9.019 26.280 1.00 29.56 ? 1413 HOH A O 1 HETATM 4094 O O . HOH W 7 . ? -4.295 -10.900 16.628 1.00 34.29 ? 1414 HOH A O 1 HETATM 4095 O O . HOH W 7 . ? 2.991 -20.498 18.071 1.00 25.48 ? 1415 HOH A O 1 HETATM 4096 O O . HOH W 7 . ? -2.076 -23.972 14.690 1.00 36.98 ? 1416 HOH A O 1 HETATM 4097 O O . HOH W 7 . ? -18.956 -2.402 -1.914 1.00 46.42 ? 1417 HOH A O 1 HETATM 4098 O O . HOH W 7 . ? -29.129 -1.911 32.838 1.00 40.65 ? 1418 HOH A O 1 HETATM 4099 O O . HOH W 7 . ? -31.513 -1.308 27.164 1.00 46.47 ? 1419 HOH A O 1 HETATM 4100 O O . HOH W 7 . ? 4.827 5.202 28.508 1.00 37.60 ? 1420 HOH A O 1 HETATM 4101 O O . HOH W 7 . ? 5.798 7.156 31.824 1.00 33.01 ? 1421 HOH A O 1 HETATM 4102 O O . HOH W 7 . ? -31.662 2.420 14.846 1.00 49.24 ? 1423 HOH A O 1 HETATM 4103 O O . HOH W 7 . ? -15.047 -18.449 33.680 1.00 47.29 ? 1424 HOH A O 1 HETATM 4104 O O . HOH W 7 . ? 9.418 -27.498 14.409 1.00 38.74 ? 1425 HOH A O 1 HETATM 4105 O O . HOH W 7 . ? -1.854 17.555 3.758 1.00 37.22 ? 1426 HOH A O 1 HETATM 4106 O O . HOH W 7 . ? -6.219 18.498 7.392 1.00 32.89 ? 1427 HOH A O 1 HETATM 4107 O O . HOH W 7 . ? 12.922 -19.243 10.741 1.00 42.35 ? 1428 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 ALA 1 25 ? ? ? A . n A 1 2 THR 2 26 ? ? ? A . n A 1 3 LEU 3 27 ? ? ? A . n A 1 4 ASP 4 28 ? ? ? A . n A 1 5 SER 5 29 ? ? ? A . n A 1 6 TRP 6 30 30 TRP TRP A . n A 1 7 LEU 7 31 31 LEU LEU A . n A 1 8 SER 8 32 32 SER SER A . n A 1 9 ASN 9 33 33 ASN ASN A . n A 1 10 GLU 10 34 34 GLU GLU A . n A 1 11 ALA 11 35 35 ALA ALA A . n A 1 12 THR 12 36 36 THR THR A . n A 1 13 VAL 13 37 37 VAL VAL A . n A 1 14 ALA 14 38 38 ALA ALA A . n A 1 15 ARG 15 39 39 ARG ARG A . n A 1 16 THR 16 40 40 THR THR A . n A 1 17 ALA 17 41 41 ALA ALA A . n A 1 18 ILE 18 42 42 ILE ILE A . n A 1 19 LEU 19 43 43 LEU LEU A . n A 1 20 ASN 20 44 44 ASN ASN A . n A 1 21 ASN 21 45 45 ASN ASN A . n A 1 22 ILE 22 46 46 ILE ILE A . n A 1 23 GLY 23 47 47 GLY GLY A . n A 1 24 ALA 24 48 48 ALA ALA A . n A 1 25 ASP 25 49 49 ASP ASP A . n A 1 26 GLY 26 50 50 GLY GLY A . n A 1 27 ALA 27 51 51 ALA ALA A . n A 1 28 TRP 28 52 52 TRP TRP A . n A 1 29 VAL 29 53 53 VAL VAL A . n A 1 30 SER 30 54 54 SER SER A . n A 1 31 GLY 31 55 55 GLY GLY A . n A 1 32 ALA 32 56 56 ALA ALA A . n A 1 33 ASP 33 57 57 ASP ASP A . n A 1 34 SER 34 58 58 SER SER A . n A 1 35 GLY 35 59 59 GLY GLY A . n A 1 36 ILE 36 60 60 ILE ILE A . n A 1 37 VAL 37 61 61 VAL VAL A . n A 1 38 VAL 38 62 62 VAL VAL A . n A 1 39 ALA 39 63 63 ALA ALA A . n A 1 40 SER 40 64 64 SER SER A . n A 1 41 PRO 41 65 65 PRO PRO A . n A 1 42 SER 42 66 66 SER SER A . n A 1 43 THR 43 67 67 THR THR A . n A 1 44 ASP 44 68 68 ASP ASP A . n A 1 45 ASN 45 69 69 ASN ASN A . n A 1 46 PRO 46 70 70 PRO PRO A . n A 1 47 ASP 47 71 71 ASP ASP A . n A 1 48 TYR 48 72 72 TYR TYR A . n A 1 49 PHE 49 73 73 PHE PHE A . n A 1 50 TYR 50 74 74 TYR TYR A . n A 1 51 THR 51 75 75 THR THR A . n A 1 52 TRP 52 76 76 TRP TRP A . n A 1 53 THR 53 77 77 THR THR A . n A 1 54 ARG 54 78 78 ARG ARG A . n A 1 55 ASP 55 79 79 ASP ASP A . n A 1 56 SER 56 80 80 SER SER A . n A 1 57 GLY 57 81 81 GLY GLY A . n A 1 58 LEU 58 82 82 LEU LEU A . n A 1 59 VAL 59 83 83 VAL VAL A . n A 1 60 LEU 60 84 84 LEU LEU A . n A 1 61 LYS 61 85 85 LYS LYS A . n A 1 62 THR 62 86 86 THR THR A . n A 1 63 LEU 63 87 87 LEU LEU A . n A 1 64 VAL 64 88 88 VAL VAL A . n A 1 65 ASP 65 89 89 ASP ASP A . n A 1 66 LEU 66 90 90 LEU LEU A . n A 1 67 PHE 67 91 91 PHE PHE A . n A 1 68 ARG 68 92 92 ARG ARG A . n A 1 69 ASN 69 93 93 ASN ASN A . n A 1 70 GLY 70 94 94 GLY GLY A . n A 1 71 ASP 71 95 95 ASP ASP A . n A 1 72 THR 72 96 96 THR THR A . n A 1 73 SER 73 97 97 SER SER A . n A 1 74 LEU 74 98 98 LEU LEU A . n A 1 75 LEU 75 99 99 LEU LEU A . n A 1 76 SER 76 100 100 SER SER A . n A 1 77 THR 77 101 101 THR THR A . n A 1 78 ILE 78 102 102 ILE ILE A . n A 1 79 GLU 79 103 103 GLU GLU A . n A 1 80 ASN 80 104 104 ASN ASN A . n A 1 81 TYR 81 105 105 TYR TYR A . n A 1 82 ILE 82 106 106 ILE ILE A . n A 1 83 SER 83 107 107 SER SER A . n A 1 84 ALA 84 108 108 ALA ALA A . n A 1 85 GLN 85 109 109 GLN GLN A . n A 1 86 ALA 86 110 110 ALA ALA A . n A 1 87 ILE 87 111 111 ILE ILE A . n A 1 88 VAL 88 112 112 VAL VAL A . n A 1 89 GLN 89 113 113 GLN GLN A . n A 1 90 GLY 90 114 114 GLY GLY A . n A 1 91 ILE 91 115 115 ILE ILE A . n A 1 92 SER 92 116 116 SER SER A . n A 1 93 ASN 93 117 117 ASN ASN A . n A 1 94 PRO 94 118 118 PRO PRO A . n A 1 95 SER 95 119 119 SER SER A . n A 1 96 GLY 96 120 120 GLY GLY A . n A 1 97 ASP 97 121 121 ASP ASP A . n A 1 98 LEU 98 122 122 LEU LEU A . n A 1 99 SER 99 123 123 SER SER A . n A 1 100 SER 100 124 124 SER SER A . n A 1 101 GLY 101 125 125 GLY GLY A . n A 1 102 ALA 102 126 126 ALA ALA A . n A 1 103 GLY 103 127 127 GLY GLY A . n A 1 104 LEU 104 128 128 LEU LEU A . n A 1 105 GLY 105 129 129 GLY GLY A . n A 1 106 GLU 106 130 130 GLU GLU A . n A 1 107 PRO 107 131 131 PRO PRO A . n A 1 108 LYS 108 132 132 LYS LYS A . n A 1 109 PHE 109 133 133 PHE PHE A . n A 1 110 ASN 110 134 134 ASN ASN A . n A 1 111 VAL 111 135 135 VAL VAL A . n A 1 112 ASP 112 136 136 ASP ASP A . n A 1 113 GLU 113 137 137 GLU GLU A . n A 1 114 THR 114 138 138 THR THR A . n A 1 115 ALA 115 139 139 ALA ALA A . n A 1 116 TYR 116 140 140 TYR TYR A . n A 1 117 THR 117 141 141 THR THR A . n A 1 118 GLY 118 142 142 GLY GLY A . n A 1 119 SER 119 143 143 SER SER A . n A 1 120 TRP 120 144 144 TRP TRP A . n A 1 121 GLY 121 145 145 GLY GLY A . n A 1 122 ARG 122 146 146 ARG ARG A . n A 1 123 PRO 123 147 147 PRO PRO A . n A 1 124 GLN 124 148 148 GLN GLN A . n A 1 125 ARG 125 149 149 ARG ARG A . n A 1 126 ASP 126 150 150 ASP ASP A . n A 1 127 GLY 127 151 151 GLY GLY A . n A 1 128 PRO 128 152 152 PRO PRO A . n A 1 129 ALA 129 153 153 ALA ALA A . n A 1 130 LEU 130 154 154 LEU LEU A . n A 1 131 ARG 131 155 155 ARG ARG A . n A 1 132 ALA 132 156 156 ALA ALA A . n A 1 133 THR 133 157 157 THR THR A . n A 1 134 ALA 134 158 158 ALA ALA A . n A 1 135 MET 135 159 159 MET MET A . n A 1 136 ILE 136 160 160 ILE ILE A . n A 1 137 GLY 137 161 161 GLY GLY A . n A 1 138 PHE 138 162 162 PHE PHE A . n A 1 139 GLY 139 163 163 GLY GLY A . n A 1 140 GLN 140 164 164 GLN GLN A . n A 1 141 TRP 141 165 165 TRP TRP A . n A 1 142 LEU 142 166 166 LEU LEU A . n A 1 143 LEU 143 167 167 LEU LEU A . n A 1 144 ASP 144 168 168 ASP ASP A . n A 1 145 ASN 145 169 169 ASN ASN A . n A 1 146 GLY 146 170 170 GLY GLY A . n A 1 147 TYR 147 171 171 TYR TYR A . n A 1 148 THR 148 172 172 THR THR A . n A 1 149 SER 149 173 173 SER SER A . n A 1 150 THR 150 174 174 THR THR A . n A 1 151 ALA 151 175 175 ALA ALA A . n A 1 152 THR 152 176 176 THR THR A . n A 1 153 ASP 153 177 177 ASP ASP A . n A 1 154 ILE 154 178 178 ILE ILE A . n A 1 155 VAL 155 179 179 VAL VAL A . n A 1 156 TRP 156 180 180 TRP TRP A . n A 1 157 PRO 157 181 181 PRO PRO A . n A 1 158 LEU 158 182 182 LEU LEU A . n A 1 159 VAL 159 183 183 VAL VAL A . n A 1 160 ARG 160 184 184 ARG ARG A . n A 1 161 ASN 161 185 185 ASN ASN A . n A 1 162 ASP 162 186 186 ASP ASP A . n A 1 163 LEU 163 187 187 LEU LEU A . n A 1 164 SER 164 188 188 SER SER A . n A 1 165 TYR 165 189 189 TYR TYR A . n A 1 166 VAL 166 190 190 VAL VAL A . n A 1 167 ALA 167 191 191 ALA ALA A . n A 1 168 GLN 168 192 192 GLN GLN A . n A 1 169 TYR 169 193 193 TYR TYR A . n A 1 170 TRP 170 194 194 TRP TRP A . n A 1 171 ASN 171 195 195 ASN ASN A . n A 1 172 GLN 172 196 196 GLN GLN A . n A 1 173 THR 173 197 197 THR THR A . n A 1 174 GLY 174 198 198 GLY GLY A . n A 1 175 TYR 175 199 199 TYR TYR A . n A 1 176 ASP 176 200 200 ASP ASP A . n A 1 177 LEU 177 201 201 LEU LEU A . n A 1 178 TRP 178 202 202 TRP TRP A . n A 1 179 GLU 179 203 203 GLU GLU A . n A 1 180 GLU 180 204 204 GLU GLU A . n A 1 181 VAL 181 205 205 VAL VAL A . n A 1 182 ASN 182 206 206 ASN ASN A . n A 1 183 GLY 183 207 207 GLY GLY A . n A 1 184 SER 184 208 208 SER SER A . n A 1 185 SER 185 209 209 SER SER A . n A 1 186 PHE 186 210 210 PHE PHE A . n A 1 187 PHE 187 211 211 PHE PHE A . n A 1 188 THR 188 212 212 THR THR A . n A 1 189 ILE 189 213 213 ILE ILE A . n A 1 190 ALA 190 214 214 ALA ALA A . n A 1 191 VAL 191 215 215 VAL VAL A . n A 1 192 GLN 192 216 216 GLN GLN A . n A 1 193 HIS 193 217 217 HIS HIS A . n A 1 194 ARG 194 218 218 ARG ARG A . n A 1 195 ALA 195 219 219 ALA ALA A . n A 1 196 LEU 196 220 220 LEU LEU A . n A 1 197 VAL 197 221 221 VAL VAL A . n A 1 198 GLU 198 222 222 GLU GLU A . n A 1 199 GLY 199 223 223 GLY GLY A . n A 1 200 SER 200 224 224 SER SER A . n A 1 201 ALA 201 225 225 ALA ALA A . n A 1 202 PHE 202 226 226 PHE PHE A . n A 1 203 ALA 203 227 227 ALA ALA A . n A 1 204 THR 204 228 228 THR THR A . n A 1 205 ALA 205 229 229 ALA ALA A . n A 1 206 VAL 206 230 230 VAL VAL A . n A 1 207 GLY 207 231 231 GLY GLY A . n A 1 208 SER 208 232 232 SER SER A . n A 1 209 SER 209 233 233 SER SER A . n A 1 210 CYS 210 234 234 CYS CYS A . n A 1 211 SER 211 235 235 SER SER A . n A 1 212 TRP 212 236 236 TRP TRP A . n A 1 213 CYS 213 237 237 CYS CYS A . n A 1 214 ASP 214 238 238 ASP ASP A . n A 1 215 SER 215 239 239 SER SER A . n A 1 216 GLN 216 240 240 GLN GLN A . n A 1 217 ALA 217 241 241 ALA ALA A . n A 1 218 PRO 218 242 242 PRO PRO A . n A 1 219 GLU 219 243 243 GLU GLU A . n A 1 220 ILE 220 244 244 ILE ILE A . n A 1 221 LEU 221 245 245 LEU LEU A . n A 1 222 CYS 222 246 246 CYS CYS A . n A 1 223 TYR 223 247 247 TYR TYR A . n A 1 224 LEU 224 248 248 LEU LEU A . n A 1 225 GLN 225 249 249 GLN GLN A . n A 1 226 SER 226 250 250 SER SER A . n A 1 227 PHE 227 251 251 PHE PHE A . n A 1 228 TRP 228 252 252 TRP TRP A . n A 1 229 THR 229 253 253 THR THR A . n A 1 230 GLY 230 254 254 GLY GLY A . n A 1 231 SER 231 255 255 SER SER A . n A 1 232 PHE 232 256 256 PHE PHE A . n A 1 233 ILE 233 257 257 ILE ILE A . n A 1 234 LEU 234 258 258 LEU LEU A . n A 1 235 ALA 235 259 259 ALA ALA A . n A 1 236 ASN 236 260 260 ASN ASN A . n A 1 237 PHE 237 261 261 PHE PHE A . n A 1 238 ASP 238 262 262 ASP ASP A . n A 1 239 SER 239 263 263 SER SER A . n A 1 240 SER 240 264 264 SER SER A . n A 1 241 ARG 241 265 265 ARG ARG A . n A 1 242 SER 242 266 266 SER SER A . n A 1 243 GLY 243 267 267 GLY GLY A . n A 1 244 LYS 244 268 268 LYS LYS A . n A 1 245 ASP 245 269 269 ASP ASP A . n A 1 246 ALA 246 270 270 ALA ALA A . n A 1 247 ASN 247 271 271 ASN ASN A . n A 1 248 THR 248 272 272 THR THR A . n A 1 249 LEU 249 273 273 LEU LEU A . n A 1 250 LEU 250 274 274 LEU LEU A . n A 1 251 GLY 251 275 275 GLY GLY A . n A 1 252 SER 252 276 276 SER SER A . n A 1 253 ILE 253 277 277 ILE ILE A . n A 1 254 HIS 254 278 278 HIS HIS A . n A 1 255 THR 255 279 279 THR THR A . n A 1 256 PHE 256 280 280 PHE PHE A . n A 1 257 ASP 257 281 281 ASP ASP A . n A 1 258 PRO 258 282 282 PRO PRO A . n A 1 259 GLU 259 283 283 GLU GLU A . n A 1 260 ALA 260 284 284 ALA ALA A . n A 1 261 ALA 261 285 285 ALA ALA A . n A 1 262 CYS 262 286 286 CYS CYS A . n A 1 263 ASP 263 287 287 ASP ASP A . n A 1 264 ASP 264 288 288 ASP ASP A . n A 1 265 SER 265 289 289 SER SER A . n A 1 266 THR 266 290 290 THR THR A . n A 1 267 PHE 267 291 291 PHE PHE A . n A 1 268 GLN 268 292 292 GLN GLN A . n A 1 269 PRO 269 293 293 PRO PRO A . n A 1 270 CYS 270 294 294 CYS CYS A . n A 1 271 SER 271 295 295 SER SER A . n A 1 272 PRO 272 296 296 PRO PRO A . n A 1 273 ARG 273 297 297 ARG ARG A . n A 1 274 ALA 274 298 298 ALA ALA A . n A 1 275 LEU 275 299 299 LEU LEU A . n A 1 276 ALA 276 300 300 ALA ALA A . n A 1 277 ASN 277 301 301 ASN ASN A . n A 1 278 HIS 278 302 302 HIS HIS A . n A 1 279 LYS 279 303 303 LYS LYS A . n A 1 280 GLU 280 304 304 GLU GLU A . n A 1 281 VAL 281 305 305 VAL VAL A . n A 1 282 VAL 282 306 306 VAL VAL A . n A 1 283 ASP 283 307 307 ASP ASP A . n A 1 284 SER 284 308 308 SER SER A . n A 1 285 PHE 285 309 309 PHE PHE A . n A 1 286 ARG 286 310 310 ARG ARG A . n A 1 287 SER 287 311 311 SER SER A . n A 1 288 ILE 288 312 312 ILE ILE A . n A 1 289 TYR 289 313 313 TYR TYR A . n A 1 290 THR 290 314 314 THR THR A . n A 1 291 LEU 291 315 315 LEU LEU A . n A 1 292 ASN 292 316 316 ASN ASN A . n A 1 293 ASP 293 317 317 ASP ASP A . n A 1 294 GLY 294 318 318 GLY GLY A . n A 1 295 LEU 295 319 319 LEU LEU A . n A 1 296 SER 296 320 320 SER SER A . n A 1 297 ASP 297 321 321 ASP ASP A . n A 1 298 SER 298 322 322 SER SER A . n A 1 299 GLU 299 323 323 GLU GLU A . n A 1 300 ALA 300 324 324 ALA ALA A . n A 1 301 VAL 301 325 325 VAL VAL A . n A 1 302 ALA 302 326 326 ALA ALA A . n A 1 303 VAL 303 327 327 VAL VAL A . n A 1 304 GLY 304 328 328 GLY GLY A . n A 1 305 ARG 305 329 329 ARG ARG A . n A 1 306 TYR 306 330 330 TYR TYR A . n A 1 307 PRO 307 331 331 PRO PRO A . n A 1 308 GLU 308 332 332 GLU GLU A . n A 1 309 ASP 309 333 333 ASP ASP A . n A 1 310 THR 310 334 334 THR THR A . n A 1 311 TYR 311 335 335 TYR TYR A . n A 1 312 TYR 312 336 336 TYR TYR A . n A 1 313 ASN 313 337 337 ASN ASN A . n A 1 314 GLY 314 338 338 GLY GLY A . n A 1 315 ASN 315 339 339 ASN ASN A . n A 1 316 PRO 316 340 340 PRO PRO A . n A 1 317 TRP 317 341 341 TRP TRP A . n A 1 318 PHE 318 342 342 PHE PHE A . n A 1 319 LEU 319 343 343 LEU LEU A . n A 1 320 CYS 320 344 344 CYS CYS A . n A 1 321 THR 321 345 345 THR THR A . n A 1 322 LEU 322 346 346 LEU LEU A . n A 1 323 ALA 323 347 347 ALA ALA A . n A 1 324 ALA 324 348 348 ALA ALA A . n A 1 325 ALA 325 349 349 ALA ALA A . n A 1 326 GLU 326 350 350 GLU GLU A . n A 1 327 GLN 327 351 351 GLN GLN A . n A 1 328 LEU 328 352 352 LEU LEU A . n A 1 329 TYR 329 353 353 TYR TYR A . n A 1 330 ASP 330 354 354 ASP ASP A . n A 1 331 ALA 331 355 355 ALA ALA A . n A 1 332 LEU 332 356 356 LEU LEU A . n A 1 333 TYR 333 357 357 TYR TYR A . n A 1 334 GLN 334 358 358 GLN GLN A . n A 1 335 TRP 335 359 359 TRP TRP A . n A 1 336 ASP 336 360 360 ASP ASP A . n A 1 337 LYS 337 361 361 LYS LYS A . n A 1 338 GLN 338 362 362 GLN GLN A . n A 1 339 GLY 339 363 363 GLY GLY A . n A 1 340 SER 340 364 364 SER SER A . n A 1 341 LEU 341 365 365 LEU LEU A . n A 1 342 GLU 342 366 366 GLU GLU A . n A 1 343 VAL 343 367 367 VAL VAL A . n A 1 344 THR 344 368 368 THR THR A . n A 1 345 ASP 345 369 369 ASP ASP A . n A 1 346 VAL 346 370 370 VAL VAL A . n A 1 347 SER 347 371 371 SER SER A . n A 1 348 LEU 348 372 372 LEU LEU A . n A 1 349 ASP 349 373 373 ASP ASP A . n A 1 350 PHE 350 374 374 PHE PHE A . n A 1 351 PHE 351 375 375 PHE PHE A . n A 1 352 LYS 352 376 376 LYS LYS A . n A 1 353 ALA 353 377 377 ALA ALA A . n A 1 354 LEU 354 378 378 LEU LEU A . n A 1 355 TYR 355 379 379 TYR TYR A . n A 1 356 SER 356 380 380 SER SER A . n A 1 357 ASP 357 381 381 ASP ASP A . n A 1 358 ALA 358 382 382 ALA ALA A . n A 1 359 ALA 359 383 383 ALA ALA A . n A 1 360 THR 360 384 384 THR THR A . n A 1 361 GLY 361 385 385 GLY GLY A . n A 1 362 THR 362 386 386 THR THR A . n A 1 363 TYR 363 387 387 TYR TYR A . n A 1 364 SER 364 388 388 SER SER A . n A 1 365 SER 365 389 389 SER SER A . n A 1 366 SER 366 390 390 SER SER A . n A 1 367 SER 367 391 391 SER SER A . n A 1 368 SER 368 392 392 SER SER A . n A 1 369 THR 369 393 393 THR THR A . n A 1 370 TYR 370 394 394 TYR TYR A . n A 1 371 SER 371 395 395 SER SER A . n A 1 372 SER 372 396 396 SER SER A . n A 1 373 ILE 373 397 397 ILE ILE A . n A 1 374 VAL 374 398 398 VAL VAL A . n A 1 375 ASP 375 399 399 ASP ASP A . n A 1 376 ALA 376 400 400 ALA ALA A . n A 1 377 VAL 377 401 401 VAL VAL A . n A 1 378 LYS 378 402 402 LYS LYS A . n A 1 379 THR 379 403 403 THR THR A . n A 1 380 PHE 380 404 404 PHE PHE A . n A 1 381 ALA 381 405 405 ALA ALA A . n A 1 382 ASP 382 406 406 ASP ASP A . n A 1 383 GLY 383 407 407 GLY GLY A . n A 1 384 PHE 384 408 408 PHE PHE A . n A 1 385 VAL 385 409 409 VAL VAL A . n A 1 386 SER 386 410 410 SER SER A . n A 1 387 ILE 387 411 411 ILE ILE A . n A 1 388 VAL 388 412 412 VAL VAL A . n A 1 389 GLU 389 413 413 GLU GLU A . n A 1 390 THR 390 414 414 THR THR A . n A 1 391 HIS 391 415 415 HIS HIS A . n A 1 392 ALA 392 416 416 ALA ALA A . n A 1 393 ALA 393 417 417 ALA ALA A . n A 1 394 SER 394 418 418 SER SER A . n A 1 395 ASN 395 419 419 ASN ASN A . n A 1 396 GLY 396 420 420 GLY GLY A . n A 1 397 SER 397 421 421 SER SER A . n A 1 398 MET 398 422 422 MET MET A . n A 1 399 SER 399 423 423 SER SER A . n A 1 400 GLU 400 424 424 GLU GLU A . n A 1 401 GLN 401 425 425 GLN GLN A . n A 1 402 TYR 402 426 426 TYR TYR A . n A 1 403 ASP 403 427 427 ASP ASP A . n A 1 404 LYS 404 428 428 LYS LYS A . n A 1 405 SER 405 429 429 SER SER A . n A 1 406 ASP 406 430 430 ASP ASP A . n A 1 407 GLY 407 431 431 GLY GLY A . n A 1 408 GLU 408 432 432 GLU GLU A . n A 1 409 GLN 409 433 433 GLN GLN A . n A 1 410 LEU 410 434 434 LEU LEU A . n A 1 411 SER 411 435 435 SER SER A . n A 1 412 ALA 412 436 436 ALA ALA A . n A 1 413 ARG 413 437 437 ARG ARG A . n A 1 414 ASP 414 438 438 ASP ASP A . n A 1 415 LEU 415 439 439 LEU LEU A . n A 1 416 THR 416 440 440 THR THR A . n A 1 417 TRP 417 441 441 TRP TRP A . n A 1 418 SER 418 442 442 SER SER A . n A 1 419 TYR 419 443 443 TYR TYR A . n A 1 420 ALA 420 444 444 ALA ALA A . n A 1 421 ALA 421 445 445 ALA ALA A . n A 1 422 LEU 422 446 446 LEU LEU A . n A 1 423 LEU 423 447 447 LEU LEU A . n A 1 424 THR 424 448 448 THR THR A . n A 1 425 ALA 425 449 449 ALA ALA A . n A 1 426 ASN 426 450 450 ASN ASN A . n A 1 427 ASN 427 451 451 ASN ASN A . n A 1 428 ARG 428 452 452 ARG ARG A . n A 1 429 ARG 429 453 453 ARG ARG A . n A 1 430 ASN 430 454 454 ASN ASN A . n A 1 431 SER 431 455 455 SER SER A . n A 1 432 VAL 432 456 456 VAL VAL A . n A 1 433 VAL 433 457 457 VAL VAL A . n A 1 434 PRO 434 458 458 PRO PRO A . n A 1 435 ALA 435 459 459 ALA ALA A . n A 1 436 SER 436 460 460 SER SER A . n A 1 437 TRP 437 461 461 TRP TRP A . n A 1 438 GLY 438 462 462 GLY GLY A . n A 1 439 GLU 439 463 463 GLU GLU A . n A 1 440 THR 440 464 464 THR THR A . n A 1 441 SER 441 465 465 SER SER A . n A 1 442 ALA 442 466 466 ALA ALA A . n A 1 443 SER 443 467 467 SER SER A . n A 1 444 SER 444 468 468 SER SER A . n A 1 445 VAL 445 469 469 VAL VAL A . n A 1 446 PRO 446 470 470 PRO PRO A . n A 1 447 GLY 447 471 471 GLY GLY A . n A 1 448 THR 448 472 472 THR THR A . n A 1 449 CYS 449 473 473 CYS CYS A . n A 1 450 ALA 450 474 474 ALA ALA A . n A 1 451 ALA 451 475 475 ALA ALA A . n A 1 452 THR 452 476 476 THR THR A . n A 1 453 SER 453 477 477 SER SER A . n A 1 454 ALA 454 478 478 ALA ALA A . n A 1 455 ILE 455 479 479 ILE ILE A . n A 1 456 GLY 456 480 480 GLY GLY A . n A 1 457 THR 457 481 481 THR THR A . n A 1 458 TYR 458 482 482 TYR TYR A . n A 1 459 SER 459 483 483 SER SER A . n A 1 460 SER 460 484 484 SER SER A . n A 1 461 VAL 461 485 485 VAL VAL A . n A 1 462 THR 462 486 486 THR THR A . n A 1 463 VAL 463 487 487 VAL VAL A . n A 1 464 THR 464 488 ? ? ? A . n A 1 465 SER 465 489 ? ? ? A . n A 1 466 TRP 466 490 ? ? ? A . n A 1 467 PRO 467 491 ? ? ? A . n A 1 468 SER 468 492 ? ? ? A . n A 1 469 ILE 469 493 ? ? ? A . n A 1 470 VAL 470 494 ? ? ? 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 1 501 501 NAG NAG A . C 2 NAG 2 502 502 NAG NAG A . D 3 BMA 3 503 503 BMA BMA A . E 4 MAN 4 504 504 MAN MAN A . F 2 NAG 1 551 551 NAG NAG A . G 2 NAG 2 552 552 NAG NAG A . H 3 BMA 3 553 553 BMA BMA A . I 4 MAN 4 554 554 MAN MAN A . J 4 MAN 5 555 555 MAN MAN A . K 4 MAN 6 556 556 MAN MAN A . L 4 MAN 7 571 571 MAN MAN A . M 4 MAN 8 572 572 MAN MAN A . N 4 MAN 1 600 600 MAN MAN A . O 4 MAN 1 601 601 MAN MAN A . P 4 MAN 1 602 602 MAN MAN A . Q 4 MAN 1 603 603 MAN MAN A . R 4 MAN 1 604 604 MAN MAN A . S 4 MAN 1 605 605 MAN MAN A . T 4 MAN 1 606 606 MAN MAN A . U 5 TRS 1 701 701 TRS TRS A . V 6 GOL 1 801 801 GOL GOL A . W 7 HOH 1 1002 1002 HOH HOH A . W 7 HOH 2 1003 1003 HOH HOH A . W 7 HOH 3 1004 1004 HOH HOH A . W 7 HOH 4 1005 1005 HOH HOH A . W 7 HOH 5 1006 1006 HOH HOH A . W 7 HOH 6 1007 1007 HOH HOH A . W 7 HOH 7 1008 1008 HOH HOH A . W 7 HOH 8 1009 1009 HOH HOH A . W 7 HOH 9 1010 1010 HOH HOH A . W 7 HOH 10 1011 1011 HOH HOH A . W 7 HOH 11 1012 1012 HOH HOH A . W 7 HOH 12 1013 1013 HOH HOH A . W 7 HOH 13 1015 1015 HOH HOH A . W 7 HOH 14 1016 1016 HOH HOH A . W 7 HOH 15 1017 1017 HOH HOH A . W 7 HOH 16 1018 1018 HOH HOH A . W 7 HOH 17 1019 1019 HOH HOH A . W 7 HOH 18 1020 1020 HOH HOH A . W 7 HOH 19 1021 1021 HOH HOH A . W 7 HOH 20 1022 1022 HOH HOH A . W 7 HOH 21 1023 1023 HOH HOH A . W 7 HOH 22 1024 1024 HOH HOH A . W 7 HOH 23 1025 1025 HOH HOH A . W 7 HOH 24 1026 1026 HOH HOH A . W 7 HOH 25 1027 1027 HOH HOH A . W 7 HOH 26 1028 1028 HOH HOH A . W 7 HOH 27 1029 1029 HOH HOH A . W 7 HOH 28 1030 1030 HOH HOH A . W 7 HOH 29 1031 1031 HOH HOH A . W 7 HOH 30 1032 1032 HOH HOH A . W 7 HOH 31 1033 1033 HOH HOH A . W 7 HOH 32 1034 1034 HOH HOH A . W 7 HOH 33 1035 1035 HOH HOH A . W 7 HOH 34 1036 1036 HOH HOH A . W 7 HOH 35 1037 1037 HOH HOH A . W 7 HOH 36 1038 1038 HOH HOH A . W 7 HOH 37 1039 1039 HOH HOH A . W 7 HOH 38 1040 1040 HOH HOH A . W 7 HOH 39 1041 1041 HOH HOH A . W 7 HOH 40 1042 1042 HOH HOH A . W 7 HOH 41 1043 1043 HOH HOH A . W 7 HOH 42 1044 1044 HOH HOH A . W 7 HOH 43 1045 1045 HOH HOH A . W 7 HOH 44 1046 1046 HOH HOH A . W 7 HOH 45 1047 1047 HOH HOH A . W 7 HOH 46 1048 1048 HOH HOH A . W 7 HOH 47 1049 1049 HOH HOH A . W 7 HOH 48 1050 1050 HOH HOH A . W 7 HOH 49 1051 1051 HOH HOH A . W 7 HOH 50 1052 1052 HOH HOH A . W 7 HOH 51 1053 1053 HOH HOH A . W 7 HOH 52 1054 1054 HOH HOH A . W 7 HOH 53 1055 1055 HOH HOH A . W 7 HOH 54 1056 1056 HOH HOH A . W 7 HOH 55 1057 1057 HOH HOH A . W 7 HOH 56 1058 1058 HOH HOH A . W 7 HOH 57 1059 1059 HOH HOH A . W 7 HOH 58 1060 1060 HOH HOH A . W 7 HOH 59 1061 1061 HOH HOH A . W 7 HOH 60 1062 1062 HOH HOH A . W 7 HOH 61 1063 1063 HOH HOH A . W 7 HOH 62 1064 1064 HOH HOH A . W 7 HOH 63 1065 1065 HOH HOH A . W 7 HOH 64 1066 1066 HOH HOH A . W 7 HOH 65 1067 1067 HOH HOH A . W 7 HOH 66 1068 1068 HOH HOH A . W 7 HOH 67 1069 1069 HOH HOH A . W 7 HOH 68 1070 1070 HOH HOH A . W 7 HOH 69 1071 1071 HOH HOH A . W 7 HOH 70 1072 1072 HOH HOH A . W 7 HOH 71 1073 1073 HOH HOH A . W 7 HOH 72 1074 1074 HOH HOH A . W 7 HOH 73 1075 1075 HOH HOH A . W 7 HOH 74 1076 1076 HOH HOH A . W 7 HOH 75 1077 1077 HOH HOH A . W 7 HOH 76 1078 1078 HOH HOH A . W 7 HOH 77 1079 1079 HOH HOH A . W 7 HOH 78 1080 1080 HOH HOH A . W 7 HOH 79 1081 1081 HOH HOH A . W 7 HOH 80 1082 1082 HOH HOH A . W 7 HOH 81 1083 1083 HOH HOH A . W 7 HOH 82 1084 1084 HOH HOH A . W 7 HOH 83 1085 1085 HOH HOH A . W 7 HOH 84 1086 1086 HOH HOH A . W 7 HOH 85 1087 1087 HOH HOH A . W 7 HOH 86 1088 1088 HOH HOH A . W 7 HOH 87 1089 1089 HOH HOH A . W 7 HOH 88 1090 1090 HOH HOH A . W 7 HOH 89 1091 1091 HOH HOH A . W 7 HOH 90 1092 1092 HOH HOH A . W 7 HOH 91 1093 1093 HOH HOH A . W 7 HOH 92 1094 1094 HOH HOH A . W 7 HOH 93 1095 1095 HOH HOH A . W 7 HOH 94 1096 1096 HOH HOH A . W 7 HOH 95 1097 1097 HOH HOH A . W 7 HOH 96 1098 1098 HOH HOH A . W 7 HOH 97 1099 1099 HOH HOH A . W 7 HOH 98 1100 1100 HOH HOH A . W 7 HOH 99 1101 1101 HOH HOH A . W 7 HOH 100 1102 1102 HOH HOH A . W 7 HOH 101 1103 1103 HOH HOH A . W 7 HOH 102 1104 1104 HOH HOH A . W 7 HOH 103 1105 1105 HOH HOH A . W 7 HOH 104 1106 1106 HOH HOH A . W 7 HOH 105 1107 1107 HOH HOH A . W 7 HOH 106 1108 1108 HOH HOH A . W 7 HOH 107 1109 1109 HOH HOH A . W 7 HOH 108 1110 1110 HOH HOH A . W 7 HOH 109 1111 1111 HOH HOH A . W 7 HOH 110 1112 1112 HOH HOH A . W 7 HOH 111 1113 1113 HOH HOH A . W 7 HOH 112 1114 1114 HOH HOH A . W 7 HOH 113 1115 1115 HOH HOH A . W 7 HOH 114 1116 1116 HOH HOH A . W 7 HOH 115 1117 1117 HOH HOH A . W 7 HOH 116 1118 1118 HOH HOH A . W 7 HOH 117 1119 1119 HOH HOH A . W 7 HOH 118 1120 1120 HOH HOH A . W 7 HOH 119 1121 1121 HOH HOH A . W 7 HOH 120 1122 1122 HOH HOH A . W 7 HOH 121 1123 1123 HOH HOH A . W 7 HOH 122 1124 1124 HOH HOH A . W 7 HOH 123 1125 1125 HOH HOH A . W 7 HOH 124 1126 1126 HOH HOH A . W 7 HOH 125 1127 1127 HOH HOH A . W 7 HOH 126 1128 1128 HOH HOH A . W 7 HOH 127 1129 1129 HOH HOH A . W 7 HOH 128 1130 1130 HOH HOH A . W 7 HOH 129 1131 1131 HOH HOH A . W 7 HOH 130 1132 1132 HOH HOH A . W 7 HOH 131 1133 1133 HOH HOH A . W 7 HOH 132 1134 1134 HOH HOH A . W 7 HOH 133 1135 1135 HOH HOH A . W 7 HOH 134 1136 1136 HOH HOH A . W 7 HOH 135 1137 1137 HOH HOH A . W 7 HOH 136 1138 1138 HOH HOH A . W 7 HOH 137 1139 1139 HOH HOH A . W 7 HOH 138 1140 1140 HOH HOH A . W 7 HOH 139 1141 1141 HOH HOH A . W 7 HOH 140 1142 1142 HOH HOH A . W 7 HOH 141 1143 1143 HOH HOH A . W 7 HOH 142 1144 1144 HOH HOH A . W 7 HOH 143 1145 1145 HOH HOH A . W 7 HOH 144 1146 1146 HOH HOH A . W 7 HOH 145 1147 1147 HOH HOH A . W 7 HOH 146 1148 1148 HOH HOH A . W 7 HOH 147 1149 1149 HOH HOH A . W 7 HOH 148 1150 1150 HOH HOH A . W 7 HOH 149 1151 1151 HOH HOH A . W 7 HOH 150 1152 1152 HOH HOH A . W 7 HOH 151 1153 1153 HOH HOH A . W 7 HOH 152 1154 1154 HOH HOH A . W 7 HOH 153 1155 1155 HOH HOH A . W 7 HOH 154 1156 1156 HOH HOH A . W 7 HOH 155 1157 1157 HOH HOH A . W 7 HOH 156 1158 1158 HOH HOH A . W 7 HOH 157 1159 1159 HOH HOH A . W 7 HOH 158 1160 1160 HOH HOH A . W 7 HOH 159 1161 1161 HOH HOH A . W 7 HOH 160 1163 1163 HOH HOH A . W 7 HOH 161 1164 1164 HOH HOH A . W 7 HOH 162 1165 1165 HOH HOH A . W 7 HOH 163 1166 1166 HOH HOH A . W 7 HOH 164 1167 1167 HOH HOH A . W 7 HOH 165 1168 1168 HOH HOH A . W 7 HOH 166 1169 1169 HOH HOH A . W 7 HOH 167 1170 1170 HOH HOH A . W 7 HOH 168 1171 1171 HOH HOH A . W 7 HOH 169 1172 1172 HOH HOH A . W 7 HOH 170 1173 1173 HOH HOH A . W 7 HOH 171 1174 1174 HOH HOH A . W 7 HOH 172 1175 1175 HOH HOH A . W 7 HOH 173 1176 1176 HOH HOH A . W 7 HOH 174 1177 1177 HOH HOH A . W 7 HOH 175 1178 1178 HOH HOH A . W 7 HOH 176 1179 1179 HOH HOH A . W 7 HOH 177 1180 1180 HOH HOH A . W 7 HOH 178 1181 1181 HOH HOH A . W 7 HOH 179 1182 1182 HOH HOH A . W 7 HOH 180 1183 1183 HOH HOH A . W 7 HOH 181 1185 1185 HOH HOH A . W 7 HOH 182 1186 1186 HOH HOH A . W 7 HOH 183 1187 1187 HOH HOH A . W 7 HOH 184 1188 1188 HOH HOH A . W 7 HOH 185 1189 1189 HOH HOH A . W 7 HOH 186 1190 1190 HOH HOH A . W 7 HOH 187 1191 1191 HOH HOH A . W 7 HOH 188 1192 1192 HOH HOH A . W 7 HOH 189 1193 1193 HOH HOH A . W 7 HOH 190 1194 1194 HOH HOH A . W 7 HOH 191 1195 1195 HOH HOH A . W 7 HOH 192 1196 1196 HOH HOH A . W 7 HOH 193 1197 1197 HOH HOH A . W 7 HOH 194 1198 1198 HOH HOH A . W 7 HOH 195 1199 1199 HOH HOH A . W 7 HOH 196 1200 1200 HOH HOH A . W 7 HOH 197 1201 1201 HOH HOH A . W 7 HOH 198 1202 1202 HOH HOH A . W 7 HOH 199 1203 1203 HOH HOH A . W 7 HOH 200 1204 1204 HOH HOH A . W 7 HOH 201 1206 1206 HOH HOH A . W 7 HOH 202 1207 1207 HOH HOH A . W 7 HOH 203 1208 1208 HOH HOH A . W 7 HOH 204 1209 1209 HOH HOH A . W 7 HOH 205 1210 1210 HOH HOH A . W 7 HOH 206 1211 1211 HOH HOH A . W 7 HOH 207 1212 1212 HOH HOH A . W 7 HOH 208 1213 1213 HOH HOH A . W 7 HOH 209 1214 1214 HOH HOH A . W 7 HOH 210 1215 1215 HOH HOH A . W 7 HOH 211 1216 1216 HOH HOH A . W 7 HOH 212 1217 1217 HOH HOH A . W 7 HOH 213 1218 1218 HOH HOH A . W 7 HOH 214 1219 1219 HOH HOH A . W 7 HOH 215 1220 1220 HOH HOH A . W 7 HOH 216 1221 1221 HOH HOH A . W 7 HOH 217 1222 1222 HOH HOH A . W 7 HOH 218 1223 1223 HOH HOH A . W 7 HOH 219 1224 1224 HOH HOH A . W 7 HOH 220 1225 1225 HOH HOH A . W 7 HOH 221 1226 1226 HOH HOH A . W 7 HOH 222 1227 1227 HOH HOH A . W 7 HOH 223 1228 1228 HOH HOH A . W 7 HOH 224 1229 1229 HOH HOH A . W 7 HOH 225 1230 1230 HOH HOH A . W 7 HOH 226 1231 1231 HOH HOH A . W 7 HOH 227 1232 1232 HOH HOH A . W 7 HOH 228 1233 1233 HOH HOH A . W 7 HOH 229 1235 1235 HOH HOH A . W 7 HOH 230 1237 1237 HOH HOH A . W 7 HOH 231 1238 1238 HOH HOH A . W 7 HOH 232 1239 1239 HOH HOH A . W 7 HOH 233 1240 1240 HOH HOH A . W 7 HOH 234 1241 1241 HOH HOH A . W 7 HOH 235 1243 1243 HOH HOH A . W 7 HOH 236 1244 1244 HOH HOH A . W 7 HOH 237 1245 1245 HOH HOH A . W 7 HOH 238 1246 1246 HOH HOH A . W 7 HOH 239 1247 1247 HOH HOH A . W 7 HOH 240 1248 1248 HOH HOH A . W 7 HOH 241 1249 1249 HOH HOH A . W 7 HOH 242 1250 1250 HOH HOH A . W 7 HOH 243 1251 1251 HOH HOH A . W 7 HOH 244 1252 1252 HOH HOH A . W 7 HOH 245 1253 1253 HOH HOH A . W 7 HOH 246 1254 1254 HOH HOH A . W 7 HOH 247 1255 1255 HOH HOH A . W 7 HOH 248 1256 1256 HOH HOH A . W 7 HOH 249 1257 1257 HOH HOH A . W 7 HOH 250 1258 1258 HOH HOH A . W 7 HOH 251 1259 1259 HOH HOH A . W 7 HOH 252 1260 1260 HOH HOH A . W 7 HOH 253 1261 1261 HOH HOH A . W 7 HOH 254 1262 1262 HOH HOH A . W 7 HOH 255 1263 1263 HOH HOH A . W 7 HOH 256 1264 1264 HOH HOH A . W 7 HOH 257 1266 1266 HOH HOH A . W 7 HOH 258 1268 1268 HOH HOH A . W 7 HOH 259 1270 1270 HOH HOH A . W 7 HOH 260 1271 1271 HOH HOH A . W 7 HOH 261 1272 1272 HOH HOH A . W 7 HOH 262 1273 1273 HOH HOH A . W 7 HOH 263 1274 1274 HOH HOH A . W 7 HOH 264 1275 1275 HOH HOH A . W 7 HOH 265 1276 1276 HOH HOH A . W 7 HOH 266 1277 1277 HOH HOH A . W 7 HOH 267 1278 1278 HOH HOH A . W 7 HOH 268 1279 1279 HOH HOH A . W 7 HOH 269 1280 1280 HOH HOH A . W 7 HOH 270 1281 1281 HOH HOH A . W 7 HOH 271 1282 1282 HOH HOH A . W 7 HOH 272 1283 1283 HOH HOH A . W 7 HOH 273 1284 1284 HOH HOH A . W 7 HOH 274 1285 1285 HOH HOH A . W 7 HOH 275 1287 1287 HOH HOH A . W 7 HOH 276 1288 1288 HOH HOH A . W 7 HOH 277 1289 1289 HOH HOH A . W 7 HOH 278 1290 1290 HOH HOH A . W 7 HOH 279 1291 1291 HOH HOH A . W 7 HOH 280 1292 1292 HOH HOH A . W 7 HOH 281 1293 1293 HOH HOH A . W 7 HOH 282 1294 1294 HOH HOH A . W 7 HOH 283 1296 1296 HOH HOH A . W 7 HOH 284 1297 1297 HOH HOH A . W 7 HOH 285 1299 1299 HOH HOH A . W 7 HOH 286 1300 1300 HOH HOH A . W 7 HOH 287 1301 1301 HOH HOH A . W 7 HOH 288 1302 1302 HOH HOH A . W 7 HOH 289 1304 1304 HOH HOH A . W 7 HOH 290 1305 1305 HOH HOH A . W 7 HOH 291 1306 1306 HOH HOH A . W 7 HOH 292 1309 1309 HOH HOH A . W 7 HOH 293 1310 1310 HOH HOH A . W 7 HOH 294 1311 1311 HOH HOH A . W 7 HOH 295 1312 1312 HOH HOH A . W 7 HOH 296 1313 1313 HOH HOH A . W 7 HOH 297 1314 1314 HOH HOH A . W 7 HOH 298 1315 1315 HOH HOH A . W 7 HOH 299 1319 1319 HOH HOH A . W 7 HOH 300 1320 1320 HOH HOH A . W 7 HOH 301 1323 1323 HOH HOH A . W 7 HOH 302 1325 1325 HOH HOH A . W 7 HOH 303 1326 1326 HOH HOH A . W 7 HOH 304 1327 1327 HOH HOH A . W 7 HOH 305 1328 1328 HOH HOH A . W 7 HOH 306 1329 1329 HOH HOH A . W 7 HOH 307 1330 1330 HOH HOH A . W 7 HOH 308 1331 1331 HOH HOH A . W 7 HOH 309 1332 1332 HOH HOH A . W 7 HOH 310 1333 1333 HOH HOH A . W 7 HOH 311 1334 1334 HOH HOH A . W 7 HOH 312 1335 1335 HOH HOH A . W 7 HOH 313 1336 1336 HOH HOH A . W 7 HOH 314 1337 1337 HOH HOH A . W 7 HOH 315 1338 1338 HOH HOH A . W 7 HOH 316 1339 1339 HOH HOH A . W 7 HOH 317 1340 1340 HOH HOH A . W 7 HOH 318 1341 1341 HOH HOH A . W 7 HOH 319 1342 1342 HOH HOH A . W 7 HOH 320 1343 1343 HOH HOH A . W 7 HOH 321 1346 1346 HOH HOH A . W 7 HOH 322 1348 1348 HOH HOH A . W 7 HOH 323 1349 1349 HOH HOH A . W 7 HOH 324 1350 1350 HOH HOH A . W 7 HOH 325 1351 1351 HOH HOH A . W 7 HOH 326 1352 1352 HOH HOH A . W 7 HOH 327 1353 1353 HOH HOH A . W 7 HOH 328 1354 1354 HOH HOH A . W 7 HOH 329 1363 1363 HOH HOH A . W 7 HOH 330 1364 1364 HOH HOH A . W 7 HOH 331 1365 1365 HOH HOH A . W 7 HOH 332 1366 1366 HOH HOH A . W 7 HOH 333 1367 1367 HOH HOH A . W 7 HOH 334 1368 1368 HOH HOH A . W 7 HOH 335 1369 1369 HOH HOH A . W 7 HOH 336 1370 1370 HOH HOH A . W 7 HOH 337 1371 1371 HOH HOH A . W 7 HOH 338 1372 1372 HOH HOH A . W 7 HOH 339 1373 1373 HOH HOH A . W 7 HOH 340 1374 1374 HOH HOH A . W 7 HOH 341 1375 1375 HOH HOH A . W 7 HOH 342 1376 1376 HOH HOH A . W 7 HOH 343 1377 1377 HOH HOH A . W 7 HOH 344 1378 1378 HOH HOH A . W 7 HOH 345 1379 1379 HOH HOH A . W 7 HOH 346 1380 1380 HOH HOH A . W 7 HOH 347 1381 1381 HOH HOH A . W 7 HOH 348 1382 1382 HOH HOH A . W 7 HOH 349 1383 1383 HOH HOH A . W 7 HOH 350 1384 1384 HOH HOH A . W 7 HOH 351 1385 1385 HOH HOH A . W 7 HOH 352 1386 1386 HOH HOH A . W 7 HOH 353 1387 1387 HOH HOH A . W 7 HOH 354 1388 1388 HOH HOH A . W 7 HOH 355 1389 1389 HOH HOH A . W 7 HOH 356 1391 1391 HOH HOH A . W 7 HOH 357 1392 1392 HOH HOH A . W 7 HOH 358 1394 1394 HOH HOH A . W 7 HOH 359 1395 1395 HOH HOH A . W 7 HOH 360 1396 1396 HOH HOH A . W 7 HOH 361 1397 1397 HOH HOH A . W 7 HOH 362 1398 1398 HOH HOH A . W 7 HOH 363 1399 1399 HOH HOH A . W 7 HOH 364 1400 1400 HOH HOH A . W 7 HOH 365 1401 1401 HOH HOH A . W 7 HOH 366 1402 1402 HOH HOH A . W 7 HOH 367 1403 1403 HOH HOH A . W 7 HOH 368 1404 1404 HOH HOH A . W 7 HOH 369 1405 1405 HOH HOH A . W 7 HOH 370 1406 1406 HOH HOH A . W 7 HOH 371 1407 1407 HOH HOH A . W 7 HOH 372 1408 1408 HOH HOH A . W 7 HOH 373 1409 1409 HOH HOH A . W 7 HOH 374 1411 1411 HOH HOH A . W 7 HOH 375 1412 1412 HOH HOH A . W 7 HOH 376 1413 1413 HOH HOH A . W 7 HOH 377 1414 1414 HOH HOH A . W 7 HOH 378 1415 1415 HOH HOH A . W 7 HOH 379 1416 1416 HOH HOH A . W 7 HOH 380 1417 1417 HOH HOH A . W 7 HOH 381 1418 1418 HOH HOH A . W 7 HOH 382 1419 1419 HOH HOH A . W 7 HOH 383 1420 1420 HOH HOH A . W 7 HOH 384 1421 1421 HOH HOH A . W 7 HOH 385 1423 1423 HOH HOH A . W 7 HOH 386 1424 1424 HOH HOH A . W 7 HOH 387 1425 1425 HOH HOH A . W 7 HOH 388 1426 1426 HOH HOH A . W 7 HOH 389 1427 1427 HOH HOH A . W 7 HOH 390 1428 1428 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 171 A ASN 195 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 395 A ASN 419 ? ASN 'GLYCOSYLATION SITE' 3 A SER 443 A SER 467 ? SER 'GLYCOSYLATION SITE' 4 A SER 444 A SER 468 ? SER 'GLYCOSYLATION SITE' 5 A THR 452 A THR 476 ? THR 'GLYCOSYLATION SITE' 6 A SER 453 A SER 477 ? SER 'GLYCOSYLATION SITE' 7 A SER 459 A SER 483 ? SER 'GLYCOSYLATION SITE' 8 A SER 460 A SER 484 ? SER 'GLYCOSYLATION SITE' 9 A THR 462 A THR 486 ? THR 'GLYCOSYLATION SITE' # _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,M,N,O,P,Q,R,S,T,U,V,W # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2009-10-13 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-10-25 # _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' 'Non-polymer description' 2 2 'Structure model' 'Version format compliance' 3 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 3 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal BOS 'data collection' . ? 1 PHASER phasing . ? 2 REFMAC refinement 5.0 ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # 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 TYR A 171 ? ? -93.94 58.13 2 1 SER A 232 ? ? -117.99 -153.40 3 1 ASN A 271 ? ? -29.94 -51.24 4 1 ASN A 337 ? ? 85.76 -11.14 5 1 SER A 423 ? ? -78.61 -169.40 6 1 SER A 423 ? ? -79.07 -169.12 7 1 SER A 435 ? ? 61.50 -154.34 8 1 ALA A 466 ? ? -148.49 41.60 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A ALA 25 ? A ALA 1 2 1 Y 1 A THR 26 ? A THR 2 3 1 Y 1 A LEU 27 ? A LEU 3 4 1 Y 1 A ASP 28 ? A ASP 4 5 1 Y 1 A SER 29 ? A SER 5 6 1 Y 1 A THR 488 ? A THR 464 7 1 Y 1 A SER 489 ? A SER 465 8 1 Y 1 A TRP 490 ? A TRP 466 9 1 Y 1 A PRO 491 ? A PRO 467 10 1 Y 1 A SER 492 ? A SER 468 11 1 Y 1 A ILE 493 ? A ILE 469 12 1 Y 1 A VAL 494 ? A VAL 470 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL TRS 6 GLYCEROL GOL 7 water HOH #