data_1GAH # _entry.id 1GAH # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.291 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1GAH WWPDB D_1000173478 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1GAH _pdbx_database_status.recvd_initial_deposition_date 1996-03-06 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site BNL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Aleshin, A.E.' 1 'Stoffer, B.' 2 'Firsov, L.M.' 3 'Svensson, B.' 4 'Honzatko, R.B.' 5 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism. ; Biochemistry 35 8319 8328 1996 BICHAW US 0006-2960 0033 ? 8679589 10.1021/bi960321g 1 'Refined Crystal Structures of Glucoamylase from Aspergillus Awamori Var. X100' J.Mol.Biol. 238 575 ? 1994 JMOBAK UK 0022-2836 0070 ? ? ? 2 'Refined Structure for the Complex of Acarbose with Glucoamylase from Aspergillus Awamori Var. X100 to 2.4-A Resolution' J.Biol.Chem. 269 15631 ? 1994 JBCHA3 US 0021-9258 0071 ? ? ? 3 'Refined Structure for the Complex of 1-Deoxynojirimycin with Glucoamylase from Aspergillus Awamori Var. X100 to 2.4-A Resolution' Biochemistry 32 1618 ? 1993 BICHAW US 0006-2960 0033 ? ? ? 4 'Crystal Structure of Glucoamylase from Aspergillus Awamori Var. X100 to 2.2-A Resolution' J.Biol.Chem. 267 19291 ? 1992 JBCHA3 US 0021-9258 0071 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Aleshin, A.E.' 1 primary 'Stoffer, B.' 2 primary 'Firsov, L.M.' 3 primary 'Svensson, B.' 4 primary 'Honzatko, R.B.' 5 1 'Aleshin, A.E.' 6 1 'Hoffman, C.' 7 1 'Firsov, L.M.' 8 1 'Honzatko, R.B.' 9 2 'Aleshin, A.E.' 10 2 'Firsov, L.M.' 11 2 'Honzatko, R.B.' 12 3 'Harris, E.M.' 13 3 'Aleshin, A.E.' 14 3 'Firsov, L.M.' 15 3 'Honzatko, R.B.' 16 4 'Aleshin, A.' 17 4 'Golubev, A.' 18 4 'Firsov, L.M.' 19 4 'Honzatko, R.B.' 20 # _cell.entry_id 1GAH _cell.length_a 116.800 _cell.length_b 104.100 _cell.length_c 48.400 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1GAH _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # 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-471 50551.832 1 3.2.1.3 ? 'RESIDUES 1-471' 'COMPLEXED WITH ACARBOSE' 2 non-polymer man ALPHA-D-MANNOSE 180.156 18 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man ALPHA-ACARBOSE 645.605 1 ? ? ? ? 6 water nat water 18.015 531 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'GLUCOAMYLASE-II, GLUCAN 1,4-ALPHA-GLUCOSIDASE' # _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 ;ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVIKTLVDLFRNGDTDLLSTIEH YISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSAATEIVWPLVRN DLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPQILCYLQSFWTGSYILANFDSSR SGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDSYYNGNPWFLCT LAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAVKTFADGFVSIVETHAASNGSLSEQ FDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGTYSSVTVTSWPSIVAT ; _entity_poly.pdbx_seq_one_letter_code_can ;ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDSGLVIKTLVDLFRNGDTDLLSTIEH YISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSAATEIVWPLVRN DLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQAPQILCYLQSFWTGSYILANFDSSR SGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGRYPEDSYYNGNPWFLCT LAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAVKTFADGFVSIVETHAASNGSLSEQ FDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGTYSSVTVTSWPSIVAT ; _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 ILE 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 ASP 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 HIS n 1 81 TYR n 1 82 ILE n 1 83 SER n 1 84 SER n 1 85 GLN n 1 86 ALA n 1 87 ILE n 1 88 ILE n 1 89 GLN n 1 90 GLY n 1 91 VAL 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 GLY n 1 103 LEU n 1 104 GLY n 1 105 GLU n 1 106 PRO n 1 107 LYS n 1 108 PHE n 1 109 ASN n 1 110 VAL n 1 111 ASP n 1 112 GLU n 1 113 THR n 1 114 ALA n 1 115 TYR n 1 116 THR n 1 117 GLY n 1 118 SER n 1 119 TRP n 1 120 GLY n 1 121 ARG n 1 122 PRO n 1 123 GLN n 1 124 ARG n 1 125 ASP n 1 126 GLY n 1 127 PRO n 1 128 ALA n 1 129 LEU n 1 130 ARG n 1 131 ALA n 1 132 THR n 1 133 ALA n 1 134 MET n 1 135 ILE n 1 136 GLY n 1 137 PHE n 1 138 GLY n 1 139 GLN n 1 140 TRP n 1 141 LEU n 1 142 LEU n 1 143 ASP n 1 144 ASN n 1 145 GLY n 1 146 TYR n 1 147 THR n 1 148 SER n 1 149 ALA n 1 150 ALA n 1 151 THR n 1 152 GLU n 1 153 ILE n 1 154 VAL n 1 155 TRP n 1 156 PRO n 1 157 LEU n 1 158 VAL n 1 159 ARG n 1 160 ASN n 1 161 ASP n 1 162 LEU n 1 163 SER n 1 164 TYR n 1 165 VAL n 1 166 ALA n 1 167 GLN n 1 168 TYR n 1 169 TRP n 1 170 ASN n 1 171 GLN n 1 172 THR n 1 173 GLY n 1 174 TYR n 1 175 ASP n 1 176 LEU n 1 177 TRP n 1 178 GLU n 1 179 GLU n 1 180 VAL n 1 181 ASN n 1 182 GLY n 1 183 SER n 1 184 SER n 1 185 PHE n 1 186 PHE n 1 187 THR n 1 188 ILE n 1 189 ALA n 1 190 VAL n 1 191 GLN n 1 192 HIS n 1 193 ARG n 1 194 ALA n 1 195 LEU n 1 196 VAL n 1 197 GLU n 1 198 GLY n 1 199 SER n 1 200 ALA n 1 201 PHE n 1 202 ALA n 1 203 THR n 1 204 ALA n 1 205 VAL n 1 206 GLY n 1 207 SER n 1 208 SER n 1 209 CYS n 1 210 SER n 1 211 TRP n 1 212 CYS n 1 213 ASP n 1 214 SER n 1 215 GLN n 1 216 ALA n 1 217 PRO n 1 218 GLN n 1 219 ILE n 1 220 LEU n 1 221 CYS n 1 222 TYR n 1 223 LEU n 1 224 GLN n 1 225 SER n 1 226 PHE n 1 227 TRP n 1 228 THR n 1 229 GLY n 1 230 SER n 1 231 TYR n 1 232 ILE n 1 233 LEU n 1 234 ALA n 1 235 ASN n 1 236 PHE n 1 237 ASP n 1 238 SER n 1 239 SER n 1 240 ARG n 1 241 SER n 1 242 GLY n 1 243 LYS n 1 244 ASP n 1 245 THR n 1 246 ASN n 1 247 THR n 1 248 LEU n 1 249 LEU n 1 250 GLY n 1 251 SER n 1 252 ILE n 1 253 HIS n 1 254 THR n 1 255 PHE n 1 256 ASP n 1 257 PRO n 1 258 GLU n 1 259 ALA n 1 260 GLY n 1 261 CYS n 1 262 ASP n 1 263 ASP n 1 264 SER n 1 265 THR n 1 266 PHE n 1 267 GLN n 1 268 PRO n 1 269 CYS n 1 270 SER n 1 271 PRO n 1 272 ARG n 1 273 ALA n 1 274 LEU n 1 275 ALA n 1 276 ASN n 1 277 HIS n 1 278 LYS n 1 279 GLU n 1 280 VAL n 1 281 VAL n 1 282 ASP n 1 283 SER n 1 284 PHE n 1 285 ARG n 1 286 SER n 1 287 ILE n 1 288 TYR n 1 289 THR n 1 290 LEU n 1 291 ASN n 1 292 ASP n 1 293 GLY n 1 294 LEU n 1 295 SER n 1 296 ASP n 1 297 SER n 1 298 GLU n 1 299 ALA n 1 300 VAL n 1 301 ALA n 1 302 VAL n 1 303 GLY n 1 304 ARG n 1 305 TYR n 1 306 PRO n 1 307 GLU n 1 308 ASP n 1 309 SER n 1 310 TYR n 1 311 TYR n 1 312 ASN n 1 313 GLY n 1 314 ASN n 1 315 PRO n 1 316 TRP n 1 317 PHE n 1 318 LEU n 1 319 CYS n 1 320 THR n 1 321 LEU n 1 322 ALA n 1 323 ALA n 1 324 ALA n 1 325 GLU n 1 326 GLN n 1 327 LEU n 1 328 TYR n 1 329 ASP n 1 330 ALA n 1 331 LEU n 1 332 TYR n 1 333 GLN n 1 334 TRP n 1 335 ASP n 1 336 LYS n 1 337 GLN n 1 338 GLY n 1 339 SER n 1 340 LEU n 1 341 GLU n 1 342 ILE n 1 343 THR n 1 344 ASP n 1 345 VAL n 1 346 SER n 1 347 LEU n 1 348 ASP n 1 349 PHE n 1 350 PHE n 1 351 LYS n 1 352 ALA n 1 353 LEU n 1 354 TYR n 1 355 SER n 1 356 GLY n 1 357 ALA n 1 358 ALA n 1 359 THR n 1 360 GLY n 1 361 THR n 1 362 TYR n 1 363 SER n 1 364 SER n 1 365 SER n 1 366 SER n 1 367 SER n 1 368 THR n 1 369 TYR n 1 370 SER n 1 371 SER n 1 372 ILE n 1 373 VAL n 1 374 SER n 1 375 ALA n 1 376 VAL n 1 377 LYS n 1 378 THR n 1 379 PHE n 1 380 ALA n 1 381 ASP n 1 382 GLY n 1 383 PHE n 1 384 VAL n 1 385 SER n 1 386 ILE n 1 387 VAL n 1 388 GLU n 1 389 THR n 1 390 HIS n 1 391 ALA n 1 392 ALA n 1 393 SER n 1 394 ASN n 1 395 GLY n 1 396 SER n 1 397 LEU n 1 398 SER n 1 399 GLU n 1 400 GLN n 1 401 PHE n 1 402 ASP n 1 403 LYS n 1 404 SER n 1 405 ASP n 1 406 GLY n 1 407 ASP n 1 408 GLU n 1 409 LEU n 1 410 SER n 1 411 ALA n 1 412 ARG n 1 413 ASP n 1 414 LEU n 1 415 THR n 1 416 TRP n 1 417 SER n 1 418 TYR n 1 419 ALA n 1 420 ALA n 1 421 LEU n 1 422 LEU n 1 423 THR n 1 424 ALA n 1 425 ASN n 1 426 ASN n 1 427 ARG n 1 428 ARG n 1 429 ASN n 1 430 SER n 1 431 VAL n 1 432 VAL n 1 433 PRO n 1 434 PRO n 1 435 SER n 1 436 TRP n 1 437 GLY n 1 438 GLU n 1 439 THR n 1 440 SER n 1 441 ALA n 1 442 SER n 1 443 SER n 1 444 VAL n 1 445 PRO n 1 446 GLY n 1 447 THR n 1 448 CYS n 1 449 ALA n 1 450 ALA n 1 451 THR n 1 452 SER n 1 453 ALA n 1 454 SER n 1 455 GLY n 1 456 THR n 1 457 TYR n 1 458 SER n 1 459 SER n 1 460 VAL n 1 461 THR n 1 462 VAL n 1 463 THR n 1 464 SER n 1 465 TRP n 1 466 PRO n 1 467 SER n 1 468 ILE n 1 469 VAL n 1 470 ALA n 1 471 THR 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 awamori' _entity_src_nat.pdbx_ncbi_taxonomy_id 105351 _entity_src_nat.genus Aspergillus _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 X100 _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 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code AMYG_ASPSH _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P22832 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;MSFRSLLALSGLVCSGLASVISKRATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRDS GIVLKTLVDLFRNGDTDLLSTIEHYISSQAIIQGVSNPSGDLSSGGLGEPKFNVDETAYAGSWGRPQRDGPALRATAMIG FGQWLLDNGYTSAATEIVWPLVRNDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATAVGSSCSWCDSQA PQILCYLQSFWTGSYILANFDSSRSGKDTNTLLGSIHTFDPEAGCDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSD SEAVAVGRYPEDSYYNGNPWFLCTLAAAEQLYDALYQWDKQGSLEITDVSLDFFKALYSGAATGTYSSSSSTYSSIVSAV KTFADGFVSIVETHAASNGSLSEQFDKSDGDELSARDLTWSYAALLTANNRRNSVVPPSWGETSASSVPGTCAATSASGT YSSVTVTSWPSIVATGGTTTTATTTGSGGVTSTSKTTTTASKTSTTTSSTSCTTPTAVAVTFDLTATTTYGENIYLVGSI SQLGDWETSDGIALSADKYTSSNPPWYVTVTLPAGESFEYKFIRVESDDSVEWESDPNREYTVPQACGESTATVTDTWR ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1GAH _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 471 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P22832 _struct_ref_seq.db_align_beg 25 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 495 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 472 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 1GAH LEU A 58 ? UNP P22832 ILE 82 CONFLICT 58 1 1 1GAH ILE A 60 ? UNP P22832 LEU 84 CONFLICT 60 2 1 1GAH THR A 116 ? UNP P22832 ALA 140 CONFLICT 117 3 # 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 ACR saccharide . ALPHA-ACARBOSE '1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-TRIHYDROXYCYCLOHEX-5,6-ENYL)AMINO)FRUCTOSE' 'C25 H43 N O18' 645.605 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 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 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 1GAH _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.80 _exptl_crystal.density_percent_sol 56.03 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.0 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'pH 4.0' # _diffrn.id 1 _diffrn.ambient_temp 293 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'AREA DETECTOR' _diffrn_detector.type SIEMENS _diffrn_detector.pdbx_collection_date ? _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 'GRAPHITE(002)' _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type SIEMENS _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1GAH _reflns.observed_criterion_sigma_I 4. _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 15.0 _reflns.d_resolution_high 2.0 _reflns.number_obs 34394 _reflns.number_all ? _reflns.percent_possible_obs 84.6 _reflns.pdbx_Rmerge_I_obs 0.057 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 22.0 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 2.56 _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.00 _reflns_shell.d_res_low 2.13 _reflns_shell.percent_possible_all 54.3 _reflns_shell.Rmerge_I_obs 0.145 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 5.6 _reflns_shell.pdbx_redundancy 1.7 _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1GAH _refine.ls_number_reflns_obs 34143 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 10.0 _refine.ls_d_res_high 2.0 _refine.ls_percent_reflns_obs 84.7 _refine.ls_R_factor_obs 0.131 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.131 _refine.ls_R_factor_R_free 0.159 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean 14.3 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'NATIVE GLUCOAMYLASE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 1GAH _refine_analyze.Luzzati_coordinate_error_obs 0.15 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3569 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 320 _refine_hist.number_atoms_solvent 531 _refine_hist.number_atoms_total 4420 _refine_hist.d_res_high 2.0 _refine_hist.d_res_low 10.0 # 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 x_bond_d 0.008 ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 1.35 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d 21.5 ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d 1.24 ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 PARAH3.CHO NTOPH3.CHO 'X-RAY DIFFRACTION' 2 ACR_SUGARS_XPLOR.PAR ACR_SUGARS_XPLOR.TOP 'X-RAY DIFFRACTION' 3 ACR_VLN.PAR ? 'X-RAY DIFFRACTION' # _struct.entry_id 1GAH _struct.title 'GLUCOAMYLASE-471 COMPLEXED WITH ACARBOSE' _struct.pdbx_descriptor GLUCOAMYLASE-471 _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1GAH _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, GLYCOSIDASE, POLYSACCHARIDE DEGRADATION, GLYCOPROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 3 ? M N N 3 ? N N N 4 ? O N N 2 ? P N N 2 ? Q N N 3 ? R N N 3 ? S N N 4 ? T N N 2 ? U N N 2 ? V N N 2 ? W N N 2 ? X N N 2 ? Y N N 2 ? Z N N 5 ? AA N N 6 ? # _struct_biol.id 1 # 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 THR A 2 ? ASN A 21 ? THR A 2 ASN A 21 1 ? 20 HELX_P HELX_P2 2 THR A 53 ? ARG A 68 ? THR A 53 ARG A 68 1 ? 16 HELX_P HELX_P3 3 THR A 72 ? GLY A 90 ? THR A 72 GLY A 90 5 ? 19 HELX_P HELX_P4 4 GLY A 102 ? GLY A 104 ? GLY A 103 GLY A 105 5 ? 3 HELX_P HELX_P5 5 ASP A 125 ? ASP A 143 ? ASP A 126 ASP A 144 1 ? 19 HELX_P HELX_P6 6 THR A 147 ? GLU A 152 ? THR A 148 GLU A 153 1 ? 6 HELX_P HELX_P7 7 VAL A 154 ? TYR A 168 ? VAL A 155 TYR A 169 1 ? 15 HELX_P HELX_P8 8 PHE A 185 ? ALA A 204 ? PHE A 186 ALA A 205 1 ? 20 HELX_P HELX_P9 9 SER A 210 ? PHE A 226 ? SER A 211 PHE A 227 1 ? 17 HELX_P HELX_P10 10 THR A 245 ? THR A 254 ? THR A 246 THR A 255 5 ? 10 HELX_P HELX_P11 11 PRO A 271 ? PHE A 284 ? PRO A 272 PHE A 285 1 ? 14 HELX_P HELX_P12 12 THR A 289 ? ASN A 291 ? THR A 290 ASN A 292 5 ? 3 HELX_P HELX_P13 13 TYR A 310 ? ASN A 312 ? TYR A 311 ASN A 313 5 ? 3 HELX_P HELX_P14 14 PHE A 317 ? GLN A 337 ? PHE A 318 GLN A 338 1 ? 21 HELX_P HELX_P15 15 LEU A 347 ? LEU A 353 ? LEU A 348 LEU A 354 1 ? 7 HELX_P HELX_P16 16 SER A 367 ? HIS A 390 ? SER A 368 HIS A 391 1 ? 24 HELX_P HELX_P17 17 THR A 415 ? ARG A 428 ? THR A 416 ARG A 429 1 ? 14 HELX_P HELX_P18 18 GLU A 438 ? SER A 440 ? GLU A 439 SER A 441 5 ? 3 # _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 209 SG ? ? ? 1_555 A CYS 212 SG ? ? A CYS 210 A CYS 213 1_555 ? ? ? ? ? ? ? 2.029 ? disulf2 disulf ? ? A CYS 221 SG ? ? ? 1_555 A CYS 448 SG ? ? A CYS 222 A CYS 449 1_555 ? ? ? ? ? ? ? 2.021 ? disulf3 disulf ? ? A CYS 261 SG ? ? ? 1_555 A CYS 269 SG ? ? A CYS 262 A CYS 270 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale ? ? A ASN 170 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 171 A NAG 483 1_555 ? ? ? ? ? ? ? 1.455 ? covale2 covale ? ? A ASN 394 ND2 ? ? ? 1_555 Q NAG . C1 ? ? A ASN 395 A NAG 488 1_555 ? ? ? ? ? ? ? 1.442 ? covale3 covale ? ? A SER 442 OG ? ? ? 1_555 D MAN . C1 ? ? A SER 443 A MAN 475 1_555 ? ? ? ? ? ? ? 1.395 ? covale4 covale ? ? A SER 443 OG ? ? ? 1_555 E MAN . C1 ? ? A SER 444 A MAN 476 1_555 ? ? ? ? ? ? ? 1.397 ? covale5 covale ? ? A SER 452 OG ? ? ? 1_555 F MAN . C1 ? ? A SER 453 A MAN 477 1_555 ? ? ? ? ? ? ? 1.395 ? covale6 covale ? ? A THR 456 OG1 ? ? ? 1_555 G MAN . C1 ? ? A THR 457 A MAN 478 1_555 ? ? ? ? ? ? ? 1.399 ? covale7 covale ? ? A SER 458 OG ? ? ? 1_555 H MAN . C1 ? ? A SER 459 A MAN 479 1_555 ? ? ? ? ? ? ? 1.396 ? covale8 covale ? ? A SER 459 OG ? ? ? 1_555 I MAN . C1 ? ? A SER 460 A MAN 480 1_555 ? ? ? ? ? ? ? 1.396 ? covale9 covale ? ? A THR 461 OG1 ? ? ? 1_555 J MAN . C1 ? ? A THR 462 A MAN 481 1_555 ? ? ? ? ? ? ? 1.396 ? covale10 covale ? ? A THR 463 OG1 ? ? ? 1_555 K MAN . C1 ? ? A THR 464 A MAN 482 1_555 ? ? ? ? ? ? ? 1.405 ? covale11 covale ? ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? A NAG 483 A NAG 484 1_555 ? ? ? ? ? ? ? 1.383 ? covale12 covale ? ? M NAG . O4 ? ? ? 1_555 N BMA . C1 ? ? A NAG 484 A BMA 485 1_555 ? ? ? ? ? ? ? 1.385 ? covale13 covale ? ? N BMA . O3 ? ? ? 1_555 O MAN . C1 ? ? A BMA 485 A MAN 486 1_555 ? ? ? ? ? ? ? 1.405 ? covale14 covale ? ? O MAN . O2 ? ? ? 1_555 P MAN . C1 ? ? A MAN 486 A MAN 487 1_555 ? ? ? ? ? ? ? 1.404 ? covale15 covale ? ? Q NAG . O4 ? ? ? 1_555 R NAG . C1 ? ? A NAG 488 A NAG 489 1_555 ? ? ? ? ? ? ? 1.378 ? covale16 covale ? ? R NAG . O4 ? ? ? 1_555 S BMA . C1 ? ? A NAG 489 A BMA 490 1_555 ? ? ? ? ? ? ? 1.373 ? covale17 covale ? ? S BMA . O3 ? ? ? 1_555 T MAN . C1 ? ? A BMA 490 A MAN 491 1_555 ? ? ? ? ? ? ? 1.394 ? covale18 covale ? ? S BMA . O6 ? ? ? 1_555 U MAN . C1 ? ? A BMA 490 A MAN 492 1_555 ? ? ? ? ? ? ? 1.393 ? covale19 covale ? ? T MAN . O2 ? ? ? 1_555 W MAN . C1 ? ? A MAN 491 A MAN 494 1_555 ? ? ? ? ? ? ? 1.400 ? covale20 covale ? ? U MAN . O3 ? ? ? 1_555 V MAN . C1 ? ? A MAN 492 A MAN 493 1_555 ? ? ? ? ? ? ? 1.399 ? covale21 covale ? ? U MAN . O6 ? ? ? 1_555 Y MAN . C1 ? ? A MAN 492 A MAN 496 1_555 ? ? ? ? ? ? ? 1.403 ? covale22 covale ? ? W MAN . O2 ? ? ? 1_555 X MAN . C1 ? ? A MAN 494 A MAN 495 1_555 ? ? ? ? ? ? ? 1.401 ? covale23 covale ? ? A THR 451 OG1 A ? ? 1_555 B MAN . C1 A ? A THR 452 A MAN 473 1_555 ? ? ? ? ? ? ? 1.400 ? covale24 covale ? ? A THR 451 OG1 B ? ? 1_555 B MAN . C1 B ? A THR 452 A MAN 473 1_555 ? ? ? ? ? ? ? 1.404 ? covale25 covale ? ? A SER 454 OG A ? ? 1_555 C MAN . C1 A ? A SER 455 A MAN 474 1_555 ? ? ? ? ? ? ? 1.394 ? covale26 covale ? ? A SER 454 OG B ? ? 1_555 C MAN . C1 B ? A SER 455 A MAN 474 1_555 ? ? ? ? ? ? ? 1.393 ? # 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 23 A ALA 24 A ? ALA 24 A 1 0.50 2 ASN 45 A . ? ASN 45 A PRO 46 A ? PRO 46 A 1 -0.32 3 ARG 121 A . ? ARG 122 A PRO 122 A ? PRO 123 A 1 -0.15 # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 2 _struct_sheet.details ? # _struct_sheet_order.sheet_id A _struct_sheet_order.range_id_1 1 _struct_sheet_order.range_id_2 2 _struct_sheet_order.offset ? _struct_sheet_order.sense 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 SER A 339 ? ILE A 342 ? SER A 340 ILE A 343 A 2 GLY A 360 ? SER A 363 ? GLY A 361 SER A 364 # _pdbx_struct_sheet_hbond.sheet_id A _pdbx_struct_sheet_hbond.range_id_1 1 _pdbx_struct_sheet_hbond.range_id_2 2 _pdbx_struct_sheet_hbond.range_1_label_atom_id O _pdbx_struct_sheet_hbond.range_1_label_comp_id LEU _pdbx_struct_sheet_hbond.range_1_label_asym_id A _pdbx_struct_sheet_hbond.range_1_label_seq_id 340 _pdbx_struct_sheet_hbond.range_1_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_1_auth_atom_id O _pdbx_struct_sheet_hbond.range_1_auth_comp_id LEU _pdbx_struct_sheet_hbond.range_1_auth_asym_id A _pdbx_struct_sheet_hbond.range_1_auth_seq_id 341 _pdbx_struct_sheet_hbond.range_2_label_atom_id N _pdbx_struct_sheet_hbond.range_2_label_comp_id TYR _pdbx_struct_sheet_hbond.range_2_label_asym_id A _pdbx_struct_sheet_hbond.range_2_label_seq_id 362 _pdbx_struct_sheet_hbond.range_2_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_2_auth_atom_id N _pdbx_struct_sheet_hbond.range_2_auth_comp_id TYR _pdbx_struct_sheet_hbond.range_2_auth_asym_id A _pdbx_struct_sheet_hbond.range_2_auth_seq_id 363 # 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 SB1 Unknown ? ? ? ? 7 'BINDING SUBSITE FOR THE FIRST RESIDUE OF ACARBOSE' SB2 Unknown ? ? ? ? 4 'BINDING SUBSITE FOR THE SECOND RESIDUE OF ACARBOSE' SB3 Unknown ? ? ? ? 2 'BINDING SUBSITE FOR THE THIRD RESIDUE OF ACARBOSE' AC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 473' AC2 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE MAN A 474' AC3 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE MAN A 475' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 476' AC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 477' AC6 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE MAN A 478' AC7 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE MAN A 479' AC8 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 480' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 481' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 482' BC2 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE NAG A 483' BC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 484' BC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 485' BC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 486' BC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 487' BC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 488' BC8 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 489' BC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 490' CC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 491' CC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 492' CC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 493' CC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 494' CC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE MAN A 495' CC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 496' CC7 Software ? ? ? ? 31 'BINDING SITE FOR RESIDUE ACR A 497' # 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 SB1 7 ARG A 54 ? ARG A 54 . ? 1_555 ? 2 SB1 7 ASP A 55 ? ASP A 55 . ? 1_555 ? 3 SB1 7 LEU A 176 ? LEU A 177 . ? 1_555 ? 4 SB1 7 GLU A 178 ? GLU A 179 . ? 1_555 ? 5 SB1 7 ARG A 304 ? ARG A 305 . ? 1_555 ? 6 SB1 7 GLU A 399 ? GLU A 400 . ? 1_555 ? 7 SB1 7 HOH AA . ? HOH A 498 . ? 1_555 ? 8 SB2 4 GLU A 179 ? GLU A 180 . ? 1_555 ? 9 SB2 4 TRP A 177 ? TRP A 178 . ? 1_555 ? 10 SB2 4 GLU A 178 ? GLU A 179 . ? 1_555 ? 11 SB2 4 ARG A 304 ? ARG A 305 . ? 1_555 ? 12 SB3 2 GLU A 178 ? GLU A 179 . ? 1_555 ? 13 SB3 2 GLY A 120 ? GLY A 121 . ? 1_555 ? 14 AC1 8 GLN A 215 ? GLN A 216 . ? 1_555 ? 15 AC1 8 ALA A 449 ? ALA A 450 . ? 1_555 ? 16 AC1 8 THR A 451 ? THR A 452 . ? 1_555 ? 17 AC1 8 SER A 452 ? SER A 453 . ? 1_555 ? 18 AC1 8 MAN F . ? MAN A 477 . ? 1_555 ? 19 AC1 8 HOH AA . ? HOH A 617 . ? 1_555 ? 20 AC1 8 HOH AA . ? HOH A 739 . ? 1_555 ? 21 AC1 8 HOH AA . ? HOH A 755 . ? 1_555 ? 22 AC2 13 SER A 118 ? SER A 119 . ? 2_555 ? 23 AC2 13 TRP A 119 ? TRP A 120 . ? 2_555 ? 24 AC2 13 TYR A 174 ? TYR A 175 . ? 2_555 ? 25 AC2 13 SER A 454 ? SER A 455 . ? 1_555 ? 26 AC2 13 GLY A 455 ? GLY A 456 . ? 1_555 ? 27 AC2 13 TYR A 457 ? TYR A 458 . ? 1_555 ? 28 AC2 13 ACR Z . ? ACR A 497 . ? 2_555 ? 29 AC2 13 HOH AA . ? HOH A 599 . ? 1_555 ? 30 AC2 13 HOH AA . ? HOH A 616 . ? 1_555 ? 31 AC2 13 HOH AA . ? HOH A 625 . ? 1_555 ? 32 AC2 13 HOH AA . ? HOH A 667 . ? 1_555 ? 33 AC2 13 HOH AA . ? HOH A 727 . ? 1_555 ? 34 AC2 13 HOH AA . ? HOH A 907 . ? 2_555 ? 35 AC3 9 ASP A 262 ? ASP A 263 . ? 1_555 ? 36 AC3 9 GLU A 438 ? GLU A 439 . ? 1_555 ? 37 AC3 9 THR A 439 ? THR A 440 . ? 1_555 ? 38 AC3 9 SER A 440 ? SER A 441 . ? 1_555 ? 39 AC3 9 ALA A 441 ? ALA A 442 . ? 1_555 ? 40 AC3 9 SER A 442 ? SER A 443 . ? 1_555 ? 41 AC3 9 SER A 443 ? SER A 444 . ? 1_555 ? 42 AC3 9 HOH AA . ? HOH A 780 . ? 1_555 ? 43 AC3 9 HOH AA . ? HOH A 945 . ? 1_555 ? 44 AC4 6 SER A 443 ? SER A 444 . ? 1_555 ? 45 AC4 6 VAL A 444 ? VAL A 445 . ? 1_555 ? 46 AC4 6 PRO A 445 ? PRO A 446 . ? 1_555 ? 47 AC4 6 HOH AA . ? HOH A 584 . ? 1_555 ? 48 AC4 6 HOH AA . ? HOH A 780 . ? 1_555 ? 49 AC4 6 HOH AA . ? HOH A 927 . ? 1_555 ? 50 AC5 8 SER A 118 ? SER A 119 . ? 2_555 ? 51 AC5 8 GLU A 152 ? GLU A 153 . ? 2_554 ? 52 AC5 8 SER A 452 ? SER A 453 . ? 1_555 ? 53 AC5 8 MAN B . ? MAN A 473 . ? 1_555 ? 54 AC5 8 HOH AA . ? HOH A 694 . ? 1_555 ? 55 AC5 8 HOH AA . ? HOH A 727 . ? 1_555 ? 56 AC5 8 HOH AA . ? HOH A 941 . ? 1_555 ? 57 AC5 8 HOH AA . ? HOH A 959 . ? 2_554 ? 58 AC6 12 ARG A 121 ? ARG A 122 . ? 2_555 ? 59 AC6 12 PRO A 122 ? PRO A 123 . ? 2_555 ? 60 AC6 12 ARG A 124 ? ARG A 125 . ? 2_555 ? 61 AC6 12 ARG A 159 ? ARG A 160 . ? 1_555 ? 62 AC6 12 THR A 172 ? THR A 173 . ? 2_555 ? 63 AC6 12 GLY A 173 ? GLY A 174 . ? 2_555 ? 64 AC6 12 ASN A 181 ? ASN A 182 . ? 2_555 ? 65 AC6 12 THR A 456 ? THR A 457 . ? 1_555 ? 66 AC6 12 MAN H . ? MAN A 479 . ? 1_555 ? 67 AC6 12 HOH AA . ? HOH A 562 . ? 1_555 ? 68 AC6 12 HOH AA . ? HOH A 619 . ? 1_555 ? 69 AC6 12 HOH AA . ? HOH A 700 . ? 2_555 ? 70 AC7 11 ARG A 159 ? ARG A 160 . ? 1_555 ? 71 AC7 11 GLN A 171 ? GLN A 172 . ? 2_555 ? 72 AC7 11 THR A 172 ? THR A 173 . ? 2_555 ? 73 AC7 11 SER A 458 ? SER A 459 . ? 1_555 ? 74 AC7 11 SER A 459 ? SER A 460 . ? 1_555 ? 75 AC7 11 MAN G . ? MAN A 478 . ? 1_555 ? 76 AC7 11 HOH AA . ? HOH A 549 . ? 1_555 ? 77 AC7 11 HOH AA . ? HOH A 568 . ? 1_555 ? 78 AC7 11 HOH AA . ? HOH A 661 . ? 1_555 ? 79 AC7 11 HOH AA . ? HOH A 697 . ? 1_555 ? 80 AC7 11 HOH AA . ? HOH A 974 . ? 1_555 ? 81 AC8 7 ALA A 86 ? ALA A 86 . ? 1_555 ? 82 AC8 7 ILE A 87 ? ILE A 87 . ? 1_555 ? 83 AC8 7 GLY A 90 ? GLY A 90 . ? 1_555 ? 84 AC8 7 SER A 459 ? SER A 460 . ? 1_555 ? 85 AC8 7 VAL A 460 ? VAL A 461 . ? 1_555 ? 86 AC8 7 HOH AA . ? HOH A 596 . ? 1_555 ? 87 AC8 7 HOH AA . ? HOH A 930 . ? 1_555 ? 88 AC9 5 SER A 459 ? SER A 460 . ? 1_555 ? 89 AC9 5 THR A 461 ? THR A 462 . ? 1_555 ? 90 AC9 5 MAN K . ? MAN A 482 . ? 1_555 ? 91 AC9 5 HOH AA . ? HOH A 697 . ? 1_555 ? 92 AC9 5 HOH AA . ? HOH A 837 . ? 1_555 ? 93 BC1 6 THR A 461 ? THR A 462 . ? 1_555 ? 94 BC1 6 THR A 463 ? THR A 464 . ? 1_555 ? 95 BC1 6 MAN J . ? MAN A 481 . ? 1_555 ? 96 BC1 6 HOH AA . ? HOH A 697 . ? 1_555 ? 97 BC1 6 HOH AA . ? HOH A 724 . ? 2_555 ? 98 BC1 6 HOH AA . ? HOH A 1011 . ? 1_555 ? 99 BC2 10 ASN A 170 ? ASN A 171 . ? 1_555 ? 100 BC2 10 TYR A 222 ? TYR A 223 . ? 1_555 ? 101 BC2 10 CYS A 448 ? CYS A 449 . ? 1_555 ? 102 BC2 10 ALA A 450 ? ALA A 451 . ? 1_555 ? 103 BC2 10 NAG M . ? NAG A 484 . ? 1_555 ? 104 BC2 10 HOH AA . ? HOH A 540 . ? 1_555 ? 105 BC2 10 HOH AA . ? HOH A 543 . ? 1_555 ? 106 BC2 10 HOH AA . ? HOH A 578 . ? 1_555 ? 107 BC2 10 HOH AA . ? HOH A 649 . ? 1_555 ? 108 BC2 10 HOH AA . ? HOH A 657 . ? 1_555 ? 109 BC3 5 CYS A 448 ? CYS A 449 . ? 1_555 ? 110 BC3 5 NAG L . ? NAG A 483 . ? 1_555 ? 111 BC3 5 BMA N . ? BMA A 485 . ? 1_555 ? 112 BC3 5 HOH AA . ? HOH A 657 . ? 1_555 ? 113 BC3 5 HOH AA . ? HOH A 985 . ? 1_555 ? 114 BC4 2 NAG M . ? NAG A 484 . ? 1_555 ? 115 BC4 2 MAN O . ? MAN A 486 . ? 1_555 ? 116 BC5 6 SER A 225 ? SER A 226 . ? 1_555 ? 117 BC5 6 TRP A 227 ? TRP A 228 . ? 1_555 ? 118 BC5 6 THR A 228 ? THR A 229 . ? 1_555 ? 119 BC5 6 PHE A 236 ? PHE A 237 . ? 1_555 ? 120 BC5 6 BMA N . ? BMA A 485 . ? 1_555 ? 121 BC5 6 MAN P . ? MAN A 487 . ? 1_555 ? 122 BC6 6 ASN A 235 ? ASN A 236 . ? 1_555 ? 123 BC6 6 PHE A 236 ? PHE A 237 . ? 1_555 ? 124 BC6 6 ASP A 237 ? ASP A 238 . ? 1_555 ? 125 BC6 6 SER A 238 ? SER A 239 . ? 1_555 ? 126 BC6 6 MAN O . ? MAN A 486 . ? 1_555 ? 127 BC6 6 HOH AA . ? HOH A 800 . ? 1_555 ? 128 BC7 7 TRP A 28 ? TRP A 28 . ? 1_555 ? 129 BC7 7 ASN A 394 ? ASN A 395 . ? 1_555 ? 130 BC7 7 SER A 396 ? SER A 397 . ? 1_555 ? 131 BC7 7 ASP A 413 ? ASP A 414 . ? 1_555 ? 132 BC7 7 NAG R . ? NAG A 489 . ? 1_555 ? 133 BC7 7 HOH AA . ? HOH A 676 . ? 1_555 ? 134 BC7 7 HOH AA . ? HOH A 882 . ? 1_555 ? 135 BC8 9 ARG A 412 ? ARG A 413 . ? 1_555 ? 136 BC8 9 NAG Q . ? NAG A 488 . ? 1_555 ? 137 BC8 9 BMA S . ? BMA A 490 . ? 1_555 ? 138 BC8 9 MAN U . ? MAN A 492 . ? 1_555 ? 139 BC8 9 MAN V . ? MAN A 493 . ? 1_555 ? 140 BC8 9 HOH AA . ? HOH A 579 . ? 1_555 ? 141 BC8 9 HOH AA . ? HOH A 627 . ? 1_555 ? 142 BC8 9 HOH AA . ? HOH A 676 . ? 1_555 ? 143 BC8 9 HOH AA . ? HOH A 746 . ? 1_555 ? 144 BC9 5 ARG A 412 ? ARG A 413 . ? 1_555 ? 145 BC9 5 NAG R . ? NAG A 489 . ? 1_555 ? 146 BC9 5 MAN T . ? MAN A 491 . ? 1_555 ? 147 BC9 5 MAN U . ? MAN A 492 . ? 1_555 ? 148 BC9 5 HOH AA . ? HOH A 873 . ? 1_555 ? 149 CC1 4 BMA S . ? BMA A 490 . ? 1_555 ? 150 CC1 4 MAN W . ? MAN A 494 . ? 1_555 ? 151 CC1 4 HOH AA . ? HOH A 725 . ? 1_555 ? 152 CC1 4 HOH AA . ? HOH A 893 . ? 1_555 ? 153 CC2 4 NAG R . ? NAG A 489 . ? 1_555 ? 154 CC2 4 BMA S . ? BMA A 490 . ? 1_555 ? 155 CC2 4 MAN V . ? MAN A 493 . ? 1_555 ? 156 CC2 4 MAN Y . ? MAN A 496 . ? 1_555 ? 157 CC3 8 SER A 42 ? SER A 42 . ? 1_555 ? 158 CC3 8 ASN A 45 ? ASN A 45 . ? 1_555 ? 159 CC3 8 GLU A 408 ? GLU A 409 . ? 1_555 ? 160 CC3 8 SER A 410 ? SER A 411 . ? 1_555 ? 161 CC3 8 ARG A 412 ? ARG A 413 . ? 1_555 ? 162 CC3 8 NAG R . ? NAG A 489 . ? 1_555 ? 163 CC3 8 MAN U . ? MAN A 492 . ? 1_555 ? 164 CC3 8 HOH AA . ? HOH A 736 . ? 1_555 ? 165 CC4 8 SER A 30 ? SER A 30 . ? 1_555 ? 166 CC4 8 PRO A 41 ? PRO A 41 . ? 1_555 ? 167 CC4 8 THR A 43 ? THR A 43 . ? 1_555 ? 168 CC4 8 MAN T . ? MAN A 491 . ? 1_555 ? 169 CC4 8 MAN X . ? MAN A 495 . ? 1_555 ? 170 CC4 8 HOH AA . ? HOH A 662 . ? 1_555 ? 171 CC4 8 HOH AA . ? HOH A 725 . ? 1_555 ? 172 CC4 8 HOH AA . ? HOH A 768 . ? 1_555 ? 173 CC5 4 THR A 43 ? THR A 43 . ? 1_555 ? 174 CC5 4 MAN W . ? MAN A 494 . ? 1_555 ? 175 CC5 4 HOH AA . ? HOH A 825 . ? 1_555 ? 176 CC5 4 HOH AA . ? HOH A 1004 . ? 1_555 ? 177 CC6 1 MAN U . ? MAN A 492 . ? 1_555 ? 178 CC7 31 TYR A 48 ? TYR A 48 . ? 1_555 ? 179 CC7 31 TRP A 52 ? TRP A 52 . ? 1_555 ? 180 CC7 31 ARG A 54 ? ARG A 54 . ? 1_555 ? 181 CC7 31 ASP A 55 ? ASP A 55 . ? 1_555 ? 182 CC7 31 SER A 118 ? SER A 119 . ? 1_555 ? 183 CC7 31 TRP A 119 ? TRP A 120 . ? 1_555 ? 184 CC7 31 GLY A 120 ? GLY A 121 . ? 1_555 ? 185 CC7 31 THR A 147 ? THR A 148 . ? 1_554 ? 186 CC7 31 TYR A 174 ? TYR A 175 . ? 1_555 ? 187 CC7 31 LEU A 176 ? LEU A 177 . ? 1_555 ? 188 CC7 31 TRP A 177 ? TRP A 178 . ? 1_555 ? 189 CC7 31 GLU A 178 ? GLU A 179 . ? 1_555 ? 190 CC7 31 GLU A 179 ? GLU A 180 . ? 1_555 ? 191 CC7 31 ALA A 204 ? ALA A 205 . ? 1_554 ? 192 CC7 31 ARG A 304 ? ARG A 305 . ? 1_555 ? 193 CC7 31 TRP A 316 ? TRP A 317 . ? 1_555 ? 194 CC7 31 LEU A 414 ? LEU A 415 . ? 1_555 ? 195 CC7 31 TRP A 416 ? TRP A 417 . ? 1_555 ? 196 CC7 31 MAN C . ? MAN A 474 . ? 2_554 ? 197 CC7 31 HOH AA . ? HOH A 498 . ? 1_555 ? 198 CC7 31 HOH AA . ? HOH A 727 . ? 2_554 ? 199 CC7 31 HOH AA . ? HOH A 776 . ? 1_555 ? 200 CC7 31 HOH AA . ? HOH A 809 . ? 1_554 ? 201 CC7 31 HOH AA . ? HOH A 862 . ? 1_554 ? 202 CC7 31 HOH AA . ? HOH A 878 . ? 1_555 ? 203 CC7 31 HOH AA . ? HOH A 906 . ? 1_555 ? 204 CC7 31 HOH AA . ? HOH A 907 . ? 1_555 ? 205 CC7 31 HOH AA . ? HOH A 923 . ? 1_554 ? 206 CC7 31 HOH AA . ? HOH A 929 . ? 1_555 ? 207 CC7 31 HOH AA . ? HOH A 939 . ? 1_554 ? 208 CC7 31 HOH AA . ? HOH A 940 . ? 1_554 ? # _database_PDB_matrix.entry_id 1GAH _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1GAH _atom_sites.fract_transf_matrix[1][1] 0.008562 _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] 0.009606 _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] 0.020661 _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 H 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 . ALA A 1 1 ? 49.130 46.759 21.772 1.00 52.88 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 49.028 47.084 20.315 1.00 52.07 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 47.554 47.064 19.904 1.00 50.91 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 46.672 47.001 20.765 1.00 50.71 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 49.825 46.058 19.493 1.00 52.89 ? 1 ALA A CB 1 ATOM 6 H H1 . ALA A 1 1 ? 48.506 47.414 22.287 1.00 52.88 ? 1 ALA A H1 1 ATOM 7 H H2 . ALA A 1 1 ? 48.750 45.797 21.944 1.00 52.88 ? 1 ALA A H2 1 ATOM 8 H H3 . ALA A 1 1 ? 50.099 46.789 22.128 1.00 52.88 ? 1 ALA A H3 1 ATOM 9 N N . THR A 1 2 ? 47.284 47.151 18.603 1.00 48.99 ? 2 THR A N 1 ATOM 10 C CA . THR A 1 2 ? 45.908 47.091 18.131 1.00 46.51 ? 2 THR A CA 1 ATOM 11 C C . THR A 1 2 ? 45.448 45.633 18.200 1.00 42.12 ? 2 THR A C 1 ATOM 12 O O . THR A 1 2 ? 44.257 45.361 18.284 1.00 40.93 ? 2 THR A O 1 ATOM 13 C CB . THR A 1 2 ? 45.747 47.632 16.691 1.00 48.95 ? 2 THR A CB 1 ATOM 14 O OG1 . THR A 1 2 ? 44.365 47.939 16.452 1.00 52.62 ? 2 THR A OG1 1 ATOM 15 C CG2 . THR A 1 2 ? 46.213 46.599 15.658 1.00 50.11 ? 2 THR A CG2 1 ATOM 16 H H . THR A 1 2 ? 47.983 47.282 17.931 1.00 48.99 ? 2 THR A H 1 ATOM 17 H HG1 . THR A 1 2 ? 43.848 47.115 16.488 1.00 52.62 ? 2 THR A HG1 1 ATOM 18 N N . LEU A 1 3 ? 46.397 44.698 18.162 1.00 38.57 ? 3 LEU A N 1 ATOM 19 C CA . LEU A 1 3 ? 46.046 43.287 18.252 1.00 35.57 ? 3 LEU A CA 1 ATOM 20 C C . LEU A 1 3 ? 45.445 43.019 19.624 1.00 34.26 ? 3 LEU A C 1 ATOM 21 O O . LEU A 1 3 ? 44.399 42.380 19.734 1.00 33.11 ? 3 LEU A O 1 ATOM 22 C CB . LEU A 1 3 ? 47.261 42.384 18.029 1.00 32.93 ? 3 LEU A CB 1 ATOM 23 C CG . LEU A 1 3 ? 46.931 40.892 18.162 1.00 30.59 ? 3 LEU A CG 1 ATOM 24 C CD1 . LEU A 1 3 ? 45.794 40.523 17.219 1.00 27.99 ? 3 LEU A CD1 1 ATOM 25 C CD2 . LEU A 1 3 ? 48.156 40.041 17.894 1.00 29.05 ? 3 LEU A CD2 1 ATOM 26 H H . LEU A 1 3 ? 47.324 44.949 18.014 1.00 38.57 ? 3 LEU A H 1 ATOM 27 N N . ASP A 1 4 ? 46.097 43.544 20.660 1.00 31.28 ? 4 ASP A N 1 ATOM 28 C CA . ASP A 1 4 ? 45.632 43.376 22.030 1.00 29.98 ? 4 ASP A CA 1 ATOM 29 C C . ASP A 1 4 ? 44.215 43.885 22.224 1.00 28.76 ? 4 ASP A C 1 ATOM 30 O O . ASP A 1 4 ? 43.376 43.207 22.825 1.00 26.77 ? 4 ASP A O 1 ATOM 31 C CB . ASP A 1 4 ? 46.564 44.095 22.997 1.00 33.01 ? 4 ASP A CB 1 ATOM 32 C CG . ASP A 1 4 ? 47.924 43.454 23.065 1.00 36.20 ? 4 ASP A CG 1 ATOM 33 O OD1 . ASP A 1 4 ? 48.088 42.536 23.891 1.00 38.47 ? 4 ASP A OD1 1 ATOM 34 O OD2 . ASP A 1 4 ? 48.821 43.855 22.285 1.00 38.77 ? 4 ASP A OD2 1 ATOM 35 H H . ASP A 1 4 ? 46.926 44.028 20.506 1.00 31.28 ? 4 ASP A H 1 ATOM 36 N N . SER A 1 5 ? 43.945 45.078 21.712 1.00 25.95 ? 5 SER A N 1 ATOM 37 C CA . SER A 1 5 ? 42.621 45.664 21.845 1.00 25.70 ? 5 SER A CA 1 ATOM 38 C C . SER A 1 5 ? 41.607 44.935 20.964 1.00 23.17 ? 5 SER A C 1 ATOM 39 O O . SER A 1 5 ? 40.461 44.726 21.381 1.00 22.91 ? 5 SER A O 1 ATOM 40 C CB . SER A 1 5 ? 42.648 47.168 21.525 1.00 26.04 ? 5 SER A CB 1 ATOM 41 O OG . SER A 1 5 ? 43.069 47.409 20.193 1.00 31.95 ? 5 SER A OG 1 ATOM 42 H H . SER A 1 5 ? 44.614 45.579 21.199 1.00 25.95 ? 5 SER A H 1 ATOM 43 H HG . SER A 1 5 ? 42.990 48.335 19.952 1.00 31.95 ? 5 SER A HG 1 ATOM 44 N N . TRP A 1 6 ? 42.015 44.550 19.755 1.00 18.84 ? 6 TRP A N 1 ATOM 45 C CA . TRP A 1 6 ? 41.111 43.829 18.874 1.00 19.96 ? 6 TRP A CA 1 ATOM 46 C C . TRP A 1 6 ? 40.675 42.527 19.556 1.00 20.27 ? 6 TRP A C 1 ATOM 47 O O . TRP A 1 6 ? 39.492 42.182 19.550 1.00 20.03 ? 6 TRP A O 1 ATOM 48 C CB . TRP A 1 6 ? 41.753 43.516 17.522 1.00 19.04 ? 6 TRP A CB 1 ATOM 49 C CG . TRP A 1 6 ? 40.814 42.734 16.620 1.00 19.27 ? 6 TRP A CG 1 ATOM 50 C CD1 . TRP A 1 6 ? 39.771 43.236 15.897 1.00 18.24 ? 6 TRP A CD1 1 ATOM 51 C CD2 . TRP A 1 6 ? 40.802 41.307 16.407 1.00 18.64 ? 6 TRP A CD2 1 ATOM 52 N NE1 . TRP A 1 6 ? 39.105 42.219 15.256 1.00 20.04 ? 6 TRP A NE1 1 ATOM 53 C CE2 . TRP A 1 6 ? 39.713 41.026 15.549 1.00 19.79 ? 6 TRP A CE2 1 ATOM 54 C CE3 . TRP A 1 6 ? 41.598 40.246 16.859 1.00 20.20 ? 6 TRP A CE3 1 ATOM 55 C CZ2 . TRP A 1 6 ? 39.397 39.722 15.133 1.00 20.81 ? 6 TRP A CZ2 1 ATOM 56 C CZ3 . TRP A 1 6 ? 41.283 38.943 16.444 1.00 21.06 ? 6 TRP A CZ3 1 ATOM 57 C CH2 . TRP A 1 6 ? 40.192 38.697 15.591 1.00 19.73 ? 6 TRP A CH2 1 ATOM 58 H H . TRP A 1 6 ? 42.914 44.771 19.441 1.00 18.84 ? 6 TRP A H 1 ATOM 59 H HE1 . TRP A 1 6 ? 38.299 42.360 14.694 1.00 20.04 ? 6 TRP A HE1 1 ATOM 60 N N . LEU A 1 7 ? 41.632 41.826 20.157 1.00 19.94 ? 7 LEU A N 1 ATOM 61 C CA . LEU A 1 7 ? 41.362 40.578 20.859 1.00 20.39 ? 7 LEU A CA 1 ATOM 62 C C . LEU A 1 7 ? 40.400 40.736 22.023 1.00 20.31 ? 7 LEU A C 1 ATOM 63 O O . LEU A 1 7 ? 39.515 39.902 22.219 1.00 21.04 ? 7 LEU A O 1 ATOM 64 C CB . LEU A 1 7 ? 42.658 39.980 21.374 1.00 19.55 ? 7 LEU A CB 1 ATOM 65 C CG . LEU A 1 7 ? 43.432 39.194 20.329 1.00 21.03 ? 7 LEU A CG 1 ATOM 66 C CD1 . LEU A 1 7 ? 44.798 38.849 20.892 1.00 19.88 ? 7 LEU A CD1 1 ATOM 67 C CD2 . LEU A 1 7 ? 42.651 37.931 19.947 1.00 20.35 ? 7 LEU A CD2 1 ATOM 68 H H . LEU A 1 7 ? 42.546 42.168 20.109 1.00 19.94 ? 7 LEU A H 1 ATOM 69 N N . SER A 1 8 ? 40.599 41.782 22.814 1.00 20.29 ? 8 SER A N 1 ATOM 70 C CA . SER A 1 8 ? 39.733 42.053 23.952 1.00 22.31 ? 8 SER A CA 1 ATOM 71 C C . SER A 1 8 ? 38.304 42.259 23.479 1.00 21.68 ? 8 SER A C 1 ATOM 72 O O . SER A 1 8 ? 37.359 41.729 24.076 1.00 22.96 ? 8 SER A O 1 ATOM 73 C CB . SER A 1 8 ? 40.205 43.295 24.710 1.00 24.79 ? 8 SER A CB 1 ATOM 74 O OG . SER A 1 8 ? 41.403 43.020 25.416 1.00 32.93 ? 8 SER A OG 1 ATOM 75 H H . SER A 1 8 ? 41.356 42.380 22.638 1.00 20.29 ? 8 SER A H 1 ATOM 76 H HG . SER A 1 8 ? 42.083 42.654 24.828 1.00 32.93 ? 8 SER A HG 1 ATOM 77 N N . ASN A 1 9 ? 38.136 43.023 22.404 1.00 19.66 ? 9 ASN A N 1 ATOM 78 C CA . ASN A 1 9 ? 36.800 43.250 21.886 1.00 18.29 ? 9 ASN A CA 1 ATOM 79 C C . ASN A 1 9 ? 36.250 42.006 21.187 1.00 15.54 ? 9 ASN A C 1 ATOM 80 O O . ASN A 1 9 ? 35.067 41.683 21.337 1.00 13.57 ? 9 ASN A O 1 ATOM 81 C CB . ASN A 1 9 ? 36.754 44.442 20.934 1.00 22.01 ? 9 ASN A CB 1 ATOM 82 C CG . ASN A 1 9 ? 35.372 44.619 20.303 1.00 27.54 ? 9 ASN A CG 1 ATOM 83 O OD1 . ASN A 1 9 ? 35.216 44.539 19.085 1.00 32.72 ? 9 ASN A OD1 1 ATOM 84 N ND2 . ASN A 1 9 ? 34.358 44.825 21.138 1.00 29.87 ? 9 ASN A ND2 1 ATOM 85 H H . ASN A 1 9 ? 38.909 43.423 21.949 1.00 19.66 ? 9 ASN A H 1 ATOM 86 H HD21 . ASN A 1 9 ? 33.473 44.937 20.730 1.00 29.87 ? 9 ASN A HD21 1 ATOM 87 H HD22 . ASN A 1 9 ? 34.526 44.859 22.100 1.00 29.87 ? 9 ASN A HD22 1 ATOM 88 N N . GLU A 1 10 ? 37.107 41.297 20.456 1.00 13.80 ? 10 GLU A N 1 ATOM 89 C CA . GLU A 1 10 ? 36.680 40.097 19.741 1.00 12.18 ? 10 GLU A CA 1 ATOM 90 C C . GLU A 1 10 ? 36.260 38.991 20.701 1.00 11.88 ? 10 GLU A C 1 ATOM 91 O O . GLU A 1 10 ? 35.310 38.269 20.423 1.00 11.24 ? 10 GLU A O 1 ATOM 92 C CB . GLU A 1 10 ? 37.765 39.600 18.782 1.00 12.89 ? 10 GLU A CB 1 ATOM 93 C CG . GLU A 1 10 ? 37.341 38.419 17.900 1.00 10.89 ? 10 GLU A CG 1 ATOM 94 C CD . GLU A 1 10 ? 36.197 38.733 16.925 1.00 16.37 ? 10 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 10 ? 35.746 39.900 16.839 1.00 14.61 ? 10 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 10 ? 35.744 37.795 16.234 1.00 14.11 ? 10 GLU A OE2 1 ATOM 97 H H . GLU A 1 10 ? 38.034 41.573 20.397 1.00 13.80 ? 10 GLU A H 1 ATOM 98 N N . ALA A 1 11 ? 36.936 38.879 21.846 1.00 10.16 ? 11 ALA A N 1 ATOM 99 C CA . ALA A 1 11 ? 36.575 37.864 22.836 1.00 11.49 ? 11 ALA A CA 1 ATOM 100 C C . ALA A 1 11 ? 35.142 38.083 23.321 1.00 13.26 ? 11 ALA A C 1 ATOM 101 O O . ALA A 1 11 ? 34.421 37.131 23.614 1.00 13.09 ? 11 ALA A O 1 ATOM 102 C CB . ALA A 1 11 ? 37.535 37.893 24.011 1.00 12.59 ? 11 ALA A CB 1 ATOM 103 H H . ALA A 1 11 ? 37.697 39.465 22.014 1.00 10.16 ? 11 ALA A H 1 ATOM 104 N N . THR A 1 12 ? 34.726 39.341 23.392 1.00 12.91 ? 12 THR A N 1 ATOM 105 C CA . THR A 1 12 ? 33.374 39.658 23.813 1.00 14.51 ? 12 THR A CA 1 ATOM 106 C C . THR A 1 12 ? 32.386 39.297 22.703 1.00 13.64 ? 12 THR A C 1 ATOM 107 O O . THR A 1 12 ? 31.300 38.775 22.974 1.00 14.50 ? 12 THR A O 1 ATOM 108 C CB . THR A 1 12 ? 33.253 41.134 24.169 1.00 15.65 ? 12 THR A CB 1 ATOM 109 O OG1 . THR A 1 12 ? 34.071 41.401 25.315 1.00 19.34 ? 12 THR A OG1 1 ATOM 110 C CG2 . THR A 1 12 ? 31.812 41.489 24.479 1.00 17.19 ? 12 THR A CG2 1 ATOM 111 H H . THR A 1 12 ? 35.337 40.074 23.157 1.00 12.91 ? 12 THR A H 1 ATOM 112 H HG1 . THR A 1 12 ? 35.004 41.330 25.085 1.00 19.34 ? 12 THR A HG1 1 ATOM 113 N N . VAL A 1 13 ? 32.767 39.577 21.459 1.00 11.97 ? 13 VAL A N 1 ATOM 114 C CA . VAL A 1 13 ? 31.924 39.251 20.327 1.00 12.09 ? 13 VAL A CA 1 ATOM 115 C C . VAL A 1 13 ? 31.758 37.738 20.197 1.00 11.32 ? 13 VAL A C 1 ATOM 116 O O . VAL A 1 13 ? 30.658 37.255 19.938 1.00 10.00 ? 13 VAL A O 1 ATOM 117 C CB . VAL A 1 13 ? 32.501 39.787 19.022 1.00 13.10 ? 13 VAL A CB 1 ATOM 118 C CG1 . VAL A 1 13 ? 31.682 39.271 17.833 1.00 12.68 ? 13 VAL A CG1 1 ATOM 119 C CG2 . VAL A 1 13 ? 32.494 41.307 19.053 1.00 15.21 ? 13 VAL A CG2 1 ATOM 120 H H . VAL A 1 13 ? 33.637 40.009 21.297 1.00 11.97 ? 13 VAL A H 1 ATOM 121 N N . ALA A 1 14 ? 32.855 37.007 20.381 1.00 9.31 ? 14 ALA A N 1 ATOM 122 C CA . ALA A 1 14 ? 32.871 35.553 20.284 1.00 9.11 ? 14 ALA A CA 1 ATOM 123 C C . ALA A 1 14 ? 31.945 34.907 21.302 1.00 8.39 ? 14 ALA A C 1 ATOM 124 O O . ALA A 1 14 ? 31.167 34.023 20.956 1.00 7.63 ? 14 ALA A O 1 ATOM 125 C CB . ALA A 1 14 ? 34.296 35.017 20.427 1.00 6.52 ? 14 ALA A CB 1 ATOM 126 H H . ALA A 1 14 ? 33.691 37.464 20.561 1.00 9.31 ? 14 ALA A H 1 ATOM 127 N N . ARG A 1 15 ? 31.981 35.387 22.541 1.00 9.47 ? 15 ARG A N 1 ATOM 128 C CA . ARG A 1 15 ? 31.118 34.847 23.589 1.00 8.71 ? 15 ARG A CA 1 ATOM 129 C C . ARG A 1 15 ? 29.639 35.036 23.227 1.00 10.31 ? 15 ARG A C 1 ATOM 130 O O . ARG A 1 15 ? 28.835 34.103 23.340 1.00 12.60 ? 15 ARG A O 1 ATOM 131 C CB . ARG A 1 15 ? 31.413 35.529 24.917 1.00 8.47 ? 15 ARG A CB 1 ATOM 132 C CG . ARG A 1 15 ? 30.610 34.980 26.090 1.00 12.82 ? 15 ARG A CG 1 ATOM 133 C CD . ARG A 1 15 ? 30.774 35.861 27.311 1.00 13.55 ? 15 ARG A CD 1 ATOM 134 N NE . ARG A 1 15 ? 30.030 35.361 28.458 1.00 16.60 ? 15 ARG A NE 1 ATOM 135 C CZ . ARG A 1 15 ? 28.752 35.621 28.706 1.00 18.83 ? 15 ARG A CZ 1 ATOM 136 N NH1 . ARG A 1 15 ? 28.051 36.382 27.877 1.00 21.09 ? 15 ARG A NH1 1 ATOM 137 N NH2 . ARG A 1 15 ? 28.187 35.154 29.810 1.00 19.93 ? 15 ARG A NH2 1 ATOM 138 H H . ARG A 1 15 ? 32.610 36.108 22.758 1.00 9.47 ? 15 ARG A H 1 ATOM 139 H HE . ARG A 1 15 ? 30.467 34.752 29.055 1.00 16.60 ? 15 ARG A HE 1 ATOM 140 H HH11 . ARG A 1 15 ? 28.481 36.795 27.062 1.00 21.09 ? 15 ARG A HH11 1 ATOM 141 H HH12 . ARG A 1 15 ? 27.084 36.583 28.041 1.00 21.09 ? 15 ARG A HH12 1 ATOM 142 H HH21 . ARG A 1 15 ? 28.724 34.609 30.463 1.00 19.93 ? 15 ARG A HH21 1 ATOM 143 H HH22 . ARG A 1 15 ? 27.217 35.331 29.991 1.00 19.93 ? 15 ARG A HH22 1 ATOM 144 N N . THR A 1 16 ? 29.298 36.227 22.751 1.00 9.44 ? 16 THR A N 1 ATOM 145 C CA . THR A 1 16 ? 27.927 36.545 22.367 1.00 10.71 ? 16 THR A CA 1 ATOM 146 C C . THR A 1 16 ? 27.449 35.714 21.185 1.00 9.85 ? 16 THR A C 1 ATOM 147 O O . THR A 1 16 ? 26.342 35.175 21.198 1.00 10.43 ? 16 THR A O 1 ATOM 148 C CB . THR A 1 16 ? 27.793 38.049 22.023 1.00 11.92 ? 16 THR A CB 1 ATOM 149 O OG1 . THR A 1 16 ? 28.187 38.821 23.155 1.00 14.67 ? 16 THR A OG1 1 ATOM 150 C CG2 . THR A 1 16 ? 26.354 38.411 21.673 1.00 16.49 ? 16 THR A CG2 1 ATOM 151 H H . THR A 1 16 ? 29.970 36.940 22.677 1.00 9.44 ? 16 THR A H 1 ATOM 152 H HG1 . THR A 1 16 ? 28.243 39.760 22.891 1.00 14.67 ? 16 THR A HG1 1 ATOM 153 N N . ALA A 1 17 ? 28.296 35.602 20.168 1.00 8.30 ? 17 ALA A N 1 ATOM 154 C CA . ALA A 1 17 ? 27.957 34.845 18.977 1.00 8.98 ? 17 ALA A CA 1 ATOM 155 C C . ALA A 1 17 ? 27.724 33.368 19.309 1.00 9.07 ? 17 ALA A C 1 ATOM 156 O O . ALA A 1 17 ? 26.819 32.751 18.755 1.00 7.81 ? 17 ALA A O 1 ATOM 157 C CB . ALA A 1 17 ? 29.050 34.995 17.918 1.00 8.15 ? 17 ALA A CB 1 ATOM 158 H H . ALA A 1 17 ? 29.170 36.036 20.228 1.00 8.30 ? 17 ALA A H 1 ATOM 159 N N . ILE A 1 18 ? 28.531 32.803 20.210 1.00 6.01 ? 18 ILE A N 1 ATOM 160 C CA . ILE A 1 18 ? 28.345 31.404 20.584 1.00 4.89 ? 18 ILE A CA 1 ATOM 161 C C . ILE A 1 18 ? 26.947 31.215 21.202 1.00 5.42 ? 18 ILE A C 1 ATOM 162 O O . ILE A 1 18 ? 26.188 30.328 20.784 1.00 5.73 ? 18 ILE A O 1 ATOM 163 C CB . ILE A 1 18 ? 29.458 30.903 21.547 1.00 3.94 ? 18 ILE A CB 1 ATOM 164 C CG1 . ILE A 1 18 ? 30.789 30.784 20.783 1.00 3.81 ? 18 ILE A CG1 1 ATOM 165 C CG2 . ILE A 1 18 ? 29.044 29.557 22.170 1.00 3.00 ? 18 ILE A CG2 1 ATOM 166 C CD1 . ILE A 1 18 ? 32.015 30.470 21.650 1.00 5.05 ? 18 ILE A CD1 1 ATOM 167 H H . ILE A 1 18 ? 29.257 33.327 20.624 1.00 6.01 ? 18 ILE A H 1 ATOM 168 N N . LEU A 1 19 ? 26.576 32.100 22.125 1.00 5.42 ? 19 LEU A N 1 ATOM 169 C CA . LEU A 1 19 ? 25.267 32.012 22.774 1.00 6.38 ? 19 LEU A CA 1 ATOM 170 C C . LEU A 1 19 ? 24.113 32.172 21.782 1.00 7.45 ? 19 LEU A C 1 ATOM 171 O O . LEU A 1 19 ? 23.072 31.529 21.927 1.00 8.67 ? 19 LEU A O 1 ATOM 172 C CB . LEU A 1 19 ? 25.152 33.020 23.933 1.00 5.83 ? 19 LEU A CB 1 ATOM 173 C CG . LEU A 1 19 ? 26.083 32.740 25.124 1.00 7.98 ? 19 LEU A CG 1 ATOM 174 C CD1 . LEU A 1 19 ? 25.968 33.842 26.180 1.00 11.83 ? 19 LEU A CD1 1 ATOM 175 C CD2 . LEU A 1 19 ? 25.769 31.385 25.738 1.00 8.49 ? 19 LEU A CD2 1 ATOM 176 H H . LEU A 1 19 ? 27.191 32.827 22.376 1.00 5.42 ? 19 LEU A H 1 ATOM 177 N N . ASN A 1 20 ? 24.310 32.990 20.752 1.00 8.21 ? 20 ASN A N 1 ATOM 178 C CA . ASN A 1 20 ? 23.280 33.195 19.735 1.00 9.01 ? 20 ASN A CA 1 ATOM 179 C C . ASN A 1 20 ? 23.021 31.925 18.938 1.00 8.25 ? 20 ASN A C 1 ATOM 180 O O . ASN A 1 20 ? 22.003 31.820 18.241 1.00 8.02 ? 20 ASN A O 1 ATOM 181 C CB . ASN A 1 20 ? 23.700 34.276 18.736 1.00 9.01 ? 20 ASN A CB 1 ATOM 182 C CG . ASN A 1 20 ? 23.691 35.650 19.331 1.00 10.50 ? 20 ASN A CG 1 ATOM 183 O OD1 . ASN A 1 20 ? 23.104 35.882 20.386 1.00 11.58 ? 20 ASN A OD1 1 ATOM 184 N ND2 . ASN A 1 20 ? 24.338 36.578 18.657 1.00 11.18 ? 20 ASN A ND2 1 ATOM 185 H H . ASN A 1 20 ? 25.155 33.487 20.705 1.00 8.21 ? 20 ASN A H 1 ATOM 186 H HD21 . ASN A 1 20 ? 24.355 37.484 19.034 1.00 11.18 ? 20 ASN A HD21 1 ATOM 187 H HD22 . ASN A 1 20 ? 24.773 36.336 17.817 1.00 11.18 ? 20 ASN A HD22 1 ATOM 188 N N . ASN A 1 21 ? 23.989 31.011 18.963 1.00 5.96 ? 21 ASN A N 1 ATOM 189 C CA . ASN A 1 21 ? 23.890 29.756 18.222 1.00 6.30 ? 21 ASN A CA 1 ATOM 190 C C . ASN A 1 21 ? 23.486 28.547 19.062 1.00 5.76 ? 21 ASN A C 1 ATOM 191 O O . ASN A 1 21 ? 23.640 27.407 18.618 1.00 6.23 ? 21 ASN A O 1 ATOM 192 C CB . ASN A 1 21 ? 25.220 29.452 17.523 1.00 4.75 ? 21 ASN A CB 1 ATOM 193 C CG . ASN A 1 21 ? 25.444 30.292 16.274 1.00 5.94 ? 21 ASN A CG 1 ATOM 194 O OD1 . ASN A 1 21 ? 26.534 30.283 15.711 1.00 9.99 ? 21 ASN A OD1 1 ATOM 195 N ND2 . ASN A 1 21 ? 24.414 30.995 15.818 1.00 4.19 ? 21 ASN A ND2 1 ATOM 196 H H . ASN A 1 21 ? 24.802 31.171 19.490 1.00 5.96 ? 21 ASN A H 1 ATOM 197 H HD21 . ASN A 1 21 ? 24.636 31.516 15.026 1.00 4.19 ? 21 ASN A HD21 1 ATOM 198 H HD22 . ASN A 1 21 ? 23.534 30.985 16.235 1.00 4.19 ? 21 ASN A HD22 1 ATOM 199 N N . ILE A 1 22 ? 23.009 28.775 20.278 1.00 4.48 ? 22 ILE A N 1 ATOM 200 C CA . ILE A 1 22 ? 22.591 27.669 21.131 1.00 4.33 ? 22 ILE A CA 1 ATOM 201 C C . ILE A 1 22 ? 21.094 27.820 21.445 1.00 6.17 ? 22 ILE A C 1 ATOM 202 O O . ILE A 1 22 ? 20.640 28.894 21.861 1.00 4.98 ? 22 ILE A O 1 ATOM 203 C CB . ILE A 1 22 ? 23.414 27.635 22.443 1.00 4.51 ? 22 ILE A CB 1 ATOM 204 C CG1 . ILE A 1 22 ? 24.904 27.447 22.116 1.00 4.62 ? 22 ILE A CG1 1 ATOM 205 C CG2 . ILE A 1 22 ? 22.914 26.508 23.359 1.00 3.00 ? 22 ILE A CG2 1 ATOM 206 C CD1 . ILE A 1 22 ? 25.854 27.686 23.310 1.00 3.00 ? 22 ILE A CD1 1 ATOM 207 H H . ILE A 1 22 ? 22.919 29.689 20.620 1.00 4.48 ? 22 ILE A H 1 ATOM 208 N N . GLY A 1 23 ? 20.325 26.766 21.186 1.00 4.43 ? 23 GLY A N 1 ATOM 209 C CA . GLY A 1 23 ? 18.895 26.794 21.465 1.00 6.66 ? 23 GLY A CA 1 ATOM 210 C C . GLY A 1 23 ? 18.608 26.742 22.965 1.00 6.53 ? 23 GLY A C 1 ATOM 211 O O . GLY A 1 23 ? 19.503 26.419 23.747 1.00 6.91 ? 23 GLY A O 1 ATOM 212 H H . GLY A 1 23 ? 20.744 25.964 20.794 1.00 4.43 ? 23 GLY A H 1 ATOM 213 N N . ALA A 1 24 ? 17.371 27.015 23.384 1.00 6.90 ? 24 ALA A N 1 ATOM 214 C CA . ALA A 1 24 ? 16.263 27.353 22.489 1.00 7.70 ? 24 ALA A CA 1 ATOM 215 C C . ALA A 1 24 ? 15.956 28.852 22.522 1.00 8.88 ? 24 ALA A C 1 ATOM 216 O O . ALA A 1 24 ? 14.892 29.286 22.081 1.00 8.33 ? 24 ALA A O 1 ATOM 217 C CB . ALA A 1 24 ? 15.012 26.560 22.887 1.00 4.93 ? 24 ALA A CB 1 ATOM 218 H H . ALA A 1 24 ? 17.195 27.002 24.356 1.00 6.90 ? 24 ALA A H 1 ATOM 219 N N A ASP A 1 25 ? 16.889 29.621 23.065 0.60 9.31 ? 25 ASP A N 1 ATOM 220 N N B ASP A 1 25 ? 16.892 29.630 23.055 0.40 9.91 ? 25 ASP A N 1 ATOM 221 C CA A ASP A 1 25 ? 16.754 31.064 23.177 0.60 10.97 ? 25 ASP A CA 1 ATOM 222 C CA B ASP A 1 25 ? 16.743 31.078 23.160 0.40 11.53 ? 25 ASP A CA 1 ATOM 223 C C A ASP A 1 25 ? 17.808 31.811 22.355 0.60 11.81 ? 25 ASP A C 1 ATOM 224 C C B ASP A 1 25 ? 17.762 31.811 22.288 0.40 11.83 ? 25 ASP A C 1 ATOM 225 O O A ASP A 1 25 ? 17.841 33.043 22.356 0.60 13.34 ? 25 ASP A O 1 ATOM 226 O O B ASP A 1 25 ? 17.722 33.039 22.184 0.40 13.03 ? 25 ASP A O 1 ATOM 227 C CB A ASP A 1 25 ? 16.818 31.483 24.651 0.60 12.90 ? 25 ASP A CB 1 ATOM 228 C CB B ASP A 1 25 ? 16.940 31.511 24.616 0.40 14.36 ? 25 ASP A CB 1 ATOM 229 C CG A ASP A 1 25 ? 18.065 30.957 25.374 0.60 14.99 ? 25 ASP A CG 1 ATOM 230 C CG B ASP A 1 25 ? 15.693 32.114 25.233 0.40 16.71 ? 25 ASP A CG 1 ATOM 231 O OD1 A ASP A 1 25 ? 18.808 30.104 24.831 0.60 9.06 ? 25 ASP A OD1 1 ATOM 232 O OD1 B ASP A 1 25 ? 14.753 32.498 24.501 0.40 18.41 ? 25 ASP A OD1 1 ATOM 233 O OD2 A ASP A 1 25 ? 18.293 31.400 26.521 0.60 19.08 ? 25 ASP A OD2 1 ATOM 234 O OD2 B ASP A 1 25 ? 15.664 32.215 26.477 0.40 18.77 ? 25 ASP A OD2 1 ATOM 235 H H A ASP A 1 25 ? 17.704 29.199 23.408 0.60 9.31 ? 25 ASP A H 1 ATOM 236 H H B ASP A 1 25 ? 17.704 29.207 23.395 0.40 9.91 ? 25 ASP A H 1 ATOM 237 N N . GLY A 1 26 ? 18.683 31.063 21.678 1.00 11.02 ? 26 GLY A N 1 ATOM 238 C CA . GLY A 1 26 ? 19.707 31.671 20.845 1.00 9.34 ? 26 GLY A CA 1 ATOM 239 C C . GLY A 1 26 ? 19.073 32.460 19.715 1.00 10.67 ? 26 GLY A C 1 ATOM 240 O O . GLY A 1 26 ? 18.284 31.919 18.946 1.00 10.22 ? 26 GLY A O 1 ATOM 241 H H . GLY A 1 26 ? 18.640 30.097 21.744 1.00 11.02 ? 26 GLY A H 1 ATOM 242 N N . ALA A 1 27 ? 19.448 33.731 19.591 1.00 11.89 ? 27 ALA A N 1 ATOM 243 C CA . ALA A 1 27 ? 18.889 34.627 18.571 1.00 12.26 ? 27 ALA A CA 1 ATOM 244 C C . ALA A 1 27 ? 19.036 34.214 17.113 1.00 12.14 ? 27 ALA A C 1 ATOM 245 O O . ALA A 1 27 ? 18.175 34.527 16.300 1.00 12.86 ? 27 ALA A O 1 ATOM 246 C CB . ALA A 1 27 ? 19.438 36.041 18.756 1.00 12.85 ? 27 ALA A CB 1 ATOM 247 H H . ALA A 1 27 ? 20.097 34.072 20.245 1.00 11.89 ? 27 ALA A H 1 ATOM 248 N N . TRP A 1 28 ? 20.099 33.494 16.776 1.00 10.16 ? 28 TRP A N 1 ATOM 249 C CA . TRP A 1 28 ? 20.326 33.097 15.389 1.00 8.24 ? 28 TRP A CA 1 ATOM 250 C C . TRP A 1 28 ? 19.833 31.726 15.009 1.00 8.86 ? 28 TRP A C 1 ATOM 251 O O . TRP A 1 28 ? 19.853 31.371 13.826 1.00 7.46 ? 28 TRP A O 1 ATOM 252 C CB . TRP A 1 28 ? 21.819 33.141 15.074 1.00 8.83 ? 28 TRP A CB 1 ATOM 253 C CG . TRP A 1 28 ? 22.437 34.513 15.115 1.00 12.78 ? 28 TRP A CG 1 ATOM 254 C CD1 . TRP A 1 28 ? 21.792 35.713 15.000 1.00 13.95 ? 28 TRP A CD1 1 ATOM 255 C CD2 . TRP A 1 28 ? 23.831 34.817 15.234 1.00 14.33 ? 28 TRP A CD2 1 ATOM 256 N NE1 . TRP A 1 28 ? 22.700 36.742 15.032 1.00 15.41 ? 28 TRP A NE1 1 ATOM 257 C CE2 . TRP A 1 28 ? 23.959 36.221 15.175 1.00 16.57 ? 28 TRP A CE2 1 ATOM 258 C CE3 . TRP A 1 28 ? 24.986 34.038 15.385 1.00 14.66 ? 28 TRP A CE3 1 ATOM 259 C CZ2 . TRP A 1 28 ? 25.199 36.867 15.258 1.00 17.50 ? 28 TRP A CZ2 1 ATOM 260 C CZ3 . TRP A 1 28 ? 26.219 34.675 15.472 1.00 16.29 ? 28 TRP A CZ3 1 ATOM 261 C CH2 . TRP A 1 28 ? 26.316 36.078 15.406 1.00 18.28 ? 28 TRP A CH2 1 ATOM 262 H H . TRP A 1 28 ? 20.721 33.212 17.477 1.00 10.16 ? 28 TRP A H 1 ATOM 263 H HE1 . TRP A 1 28 ? 22.521 37.702 14.894 1.00 15.41 ? 28 TRP A HE1 1 ATOM 264 N N . VAL A 1 29 ? 19.369 30.960 15.985 1.00 7.07 ? 29 VAL A N 1 ATOM 265 C CA . VAL A 1 29 ? 18.980 29.588 15.705 1.00 7.65 ? 29 VAL A CA 1 ATOM 266 C C . VAL A 1 29 ? 17.598 29.134 16.196 1.00 8.88 ? 29 VAL A C 1 ATOM 267 O O . VAL A 1 29 ? 17.442 28.031 16.750 1.00 9.25 ? 29 VAL A O 1 ATOM 268 C CB . VAL A 1 29 ? 20.082 28.640 16.256 1.00 5.75 ? 29 VAL A CB 1 ATOM 269 C CG1 . VAL A 1 29 ? 21.439 28.946 15.581 1.00 5.22 ? 29 VAL A CG1 1 ATOM 270 C CG2 . VAL A 1 29 ? 20.203 28.834 17.751 1.00 4.94 ? 29 VAL A CG2 1 ATOM 271 H H . VAL A 1 29 ? 19.271 31.307 16.896 1.00 7.07 ? 29 VAL A H 1 ATOM 272 N N . SER A 1 30 ? 16.583 29.950 15.945 1.00 10.96 ? 30 SER A N 1 ATOM 273 C CA . SER A 1 30 ? 15.235 29.585 16.350 1.00 12.18 ? 30 SER A CA 1 ATOM 274 C C . SER A 1 30 ? 14.911 28.244 15.687 1.00 10.64 ? 30 SER A C 1 ATOM 275 O O . SER A 1 30 ? 15.125 28.062 14.484 1.00 9.48 ? 30 SER A O 1 ATOM 276 C CB . SER A 1 30 ? 14.235 30.656 15.919 1.00 15.46 ? 30 SER A CB 1 ATOM 277 O OG . SER A 1 30 ? 13.008 30.475 16.612 1.00 20.80 ? 30 SER A OG 1 ATOM 278 H H . SER A 1 30 ? 16.737 30.776 15.440 1.00 10.96 ? 30 SER A H 1 ATOM 279 H HG . SER A 1 30 ? 13.159 30.714 17.533 1.00 20.80 ? 30 SER A HG 1 ATOM 280 N N . GLY A 1 31 ? 14.453 27.288 16.484 1.00 10.26 ? 31 GLY A N 1 ATOM 281 C CA . GLY A 1 31 ? 14.159 25.967 15.957 1.00 8.76 ? 31 GLY A CA 1 ATOM 282 C C . GLY A 1 31 ? 15.011 24.940 16.678 1.00 9.36 ? 31 GLY A C 1 ATOM 283 O O . GLY A 1 31 ? 14.633 23.767 16.788 1.00 10.04 ? 31 GLY A O 1 ATOM 284 H H . GLY A 1 31 ? 14.314 27.469 17.432 1.00 10.26 ? 31 GLY A H 1 ATOM 285 N N . ALA A 1 32 ? 16.159 25.373 17.192 1.00 7.17 ? 32 ALA A N 1 ATOM 286 C CA . ALA A 1 32 ? 17.045 24.459 17.913 1.00 6.73 ? 32 ALA A CA 1 ATOM 287 C C . ALA A 1 32 ? 16.473 24.202 19.306 1.00 8.91 ? 32 ALA A C 1 ATOM 288 O O . ALA A 1 32 ? 15.965 25.126 19.960 1.00 8.80 ? 32 ALA A O 1 ATOM 289 C CB . ALA A 1 32 ? 18.446 25.052 18.016 1.00 5.09 ? 32 ALA A CB 1 ATOM 290 H H . ALA A 1 32 ? 16.414 26.320 17.113 1.00 7.17 ? 32 ALA A H 1 ATOM 291 N N . ASP A 1 33 ? 16.519 22.949 19.746 1.00 6.69 ? 33 ASP A N 1 ATOM 292 C CA . ASP A 1 33 ? 16.004 22.606 21.058 1.00 7.19 ? 33 ASP A CA 1 ATOM 293 C C . ASP A 1 33 ? 16.932 23.148 22.165 1.00 6.16 ? 33 ASP A C 1 ATOM 294 O O . ASP A 1 33 ? 18.004 23.680 21.885 1.00 6.26 ? 33 ASP A O 1 ATOM 295 C CB . ASP A 1 33 ? 15.811 21.092 21.168 1.00 6.49 ? 33 ASP A CB 1 ATOM 296 C CG . ASP A 1 33 ? 14.711 20.705 22.153 1.00 9.05 ? 33 ASP A CG 1 ATOM 297 O OD1 . ASP A 1 33 ? 14.449 21.453 23.114 1.00 8.51 ? 33 ASP A OD1 1 ATOM 298 O OD2 . ASP A 1 33 ? 14.112 19.629 21.982 1.00 9.96 ? 33 ASP A OD2 1 ATOM 299 H H . ASP A 1 33 ? 16.924 22.253 19.196 1.00 6.69 ? 33 ASP A H 1 ATOM 300 N N . SER A 1 34 ? 16.507 23.034 23.416 1.00 6.41 ? 34 SER A N 1 ATOM 301 C CA . SER A 1 34 ? 17.262 23.532 24.558 1.00 6.29 ? 34 SER A CA 1 ATOM 302 C C . SER A 1 34 ? 18.618 22.845 24.737 1.00 5.44 ? 34 SER A C 1 ATOM 303 O O . SER A 1 34 ? 18.699 21.617 24.849 1.00 6.64 ? 34 SER A O 1 ATOM 304 C CB . SER A 1 34 ? 16.411 23.398 25.830 1.00 8.07 ? 34 SER A CB 1 ATOM 305 O OG . SER A 1 34 ? 17.043 24.001 26.951 1.00 11.38 ? 34 SER A OG 1 ATOM 306 H H . SER A 1 34 ? 15.673 22.641 23.661 1.00 6.41 ? 34 SER A H 1 ATOM 307 H HG . SER A 1 34 ? 16.762 23.472 27.709 1.00 11.38 ? 34 SER A HG 1 ATOM 308 N N . GLY A 1 35 ? 19.678 23.653 24.754 1.00 4.45 ? 35 GLY A N 1 ATOM 309 C CA . GLY A 1 35 ? 21.028 23.143 24.925 1.00 3.93 ? 35 GLY A CA 1 ATOM 310 C C . GLY A 1 35 ? 21.683 22.614 23.664 1.00 5.24 ? 35 GLY A C 1 ATOM 311 O O . GLY A 1 35 ? 22.799 22.099 23.711 1.00 5.39 ? 35 GLY A O 1 ATOM 312 H H . GLY A 1 35 ? 19.549 24.617 24.648 1.00 4.45 ? 35 GLY A H 1 ATOM 313 N N . ILE A 1 36 ? 21.002 22.735 22.535 1.00 4.88 ? 36 ILE A N 1 ATOM 314 C CA . ILE A 1 36 ? 21.544 22.256 21.269 1.00 3.89 ? 36 ILE A CA 1 ATOM 315 C C . ILE A 1 36 ? 22.466 23.301 20.647 1.00 5.06 ? 36 ILE A C 1 ATOM 316 O O . ILE A 1 36 ? 22.023 24.394 20.316 1.00 7.12 ? 36 ILE A O 1 ATOM 317 C CB . ILE A 1 36 ? 20.383 21.880 20.295 1.00 4.18 ? 36 ILE A CB 1 ATOM 318 C CG1 . ILE A 1 36 ? 19.644 20.649 20.824 1.00 3.33 ? 36 ILE A CG1 1 ATOM 319 C CG2 . ILE A 1 36 ? 20.903 21.584 18.905 1.00 4.78 ? 36 ILE A CG2 1 ATOM 320 C CD1 . ILE A 1 36 ? 20.504 19.375 20.869 1.00 6.12 ? 36 ILE A CD1 1 ATOM 321 H H . ILE A 1 36 ? 20.114 23.157 22.536 1.00 4.88 ? 36 ILE A H 1 ATOM 322 N N . VAL A 1 37 ? 23.755 22.982 20.524 1.00 6.56 ? 37 VAL A N 1 ATOM 323 C CA . VAL A 1 37 ? 24.719 23.897 19.908 1.00 4.43 ? 37 VAL A CA 1 ATOM 324 C C . VAL A 1 37 ? 24.647 23.689 18.395 1.00 5.04 ? 37 VAL A C 1 ATOM 325 O O . VAL A 1 37 ? 24.934 22.604 17.889 1.00 6.61 ? 37 VAL A O 1 ATOM 326 C CB . VAL A 1 37 ? 26.165 23.606 20.380 1.00 5.38 ? 37 VAL A CB 1 ATOM 327 C CG1 . VAL A 1 37 ? 27.173 24.574 19.717 1.00 3.00 ? 37 VAL A CG1 1 ATOM 328 C CG2 . VAL A 1 37 ? 26.246 23.690 21.907 1.00 3.30 ? 37 VAL A CG2 1 ATOM 329 H H . VAL A 1 37 ? 24.056 22.110 20.856 1.00 6.56 ? 37 VAL A H 1 ATOM 330 N N . VAL A 1 38 ? 24.286 24.728 17.668 1.00 3.03 ? 38 VAL A N 1 ATOM 331 C CA . VAL A 1 38 ? 24.192 24.626 16.222 1.00 3.00 ? 38 VAL A CA 1 ATOM 332 C C . VAL A 1 38 ? 25.550 25.033 15.626 1.00 3.60 ? 38 VAL A C 1 ATOM 333 O O . VAL A 1 38 ? 26.179 25.975 16.112 1.00 3.05 ? 38 VAL A O 1 ATOM 334 C CB . VAL A 1 38 ? 23.052 25.532 15.722 1.00 3.99 ? 38 VAL A CB 1 ATOM 335 C CG1 . VAL A 1 38 ? 22.843 25.365 14.214 1.00 3.00 ? 38 VAL A CG1 1 ATOM 336 C CG2 . VAL A 1 38 ? 21.773 25.192 16.484 1.00 3.00 ? 38 VAL A CG2 1 ATOM 337 H H . VAL A 1 38 ? 24.112 25.600 18.090 1.00 3.03 ? 38 VAL A H 1 ATOM 338 N N . ALA A 1 39 ? 26.017 24.314 14.601 1.00 4.14 ? 39 ALA A N 1 ATOM 339 C CA . ALA A 1 39 ? 27.321 24.606 13.991 1.00 4.85 ? 39 ALA A CA 1 ATOM 340 C C . ALA A 1 39 ? 27.398 25.995 13.344 1.00 6.05 ? 39 ALA A C 1 ATOM 341 O O . ALA A 1 39 ? 28.421 26.693 13.435 1.00 5.13 ? 39 ALA A O 1 ATOM 342 C CB . ALA A 1 39 ? 27.691 23.531 12.987 1.00 4.20 ? 39 ALA A CB 1 ATOM 343 H H . ALA A 1 39 ? 25.474 23.572 14.256 1.00 4.14 ? 39 ALA A H 1 ATOM 344 N N . SER A 1 40 ? 26.329 26.376 12.658 1.00 5.38 ? 40 SER A N 1 ATOM 345 C CA . SER A 1 40 ? 26.247 27.678 12.015 1.00 5.06 ? 40 SER A CA 1 ATOM 346 C C . SER A 1 40 ? 24.780 27.929 11.685 1.00 7.42 ? 40 SER A C 1 ATOM 347 O O . SER A 1 40 ? 24.025 26.991 11.439 1.00 6.74 ? 40 SER A O 1 ATOM 348 C CB . SER A 1 40 ? 27.074 27.685 10.733 1.00 4.56 ? 40 SER A CB 1 ATOM 349 O OG . SER A 1 40 ? 26.677 28.737 9.870 1.00 6.12 ? 40 SER A OG 1 ATOM 350 H H . SER A 1 40 ? 25.564 25.773 12.562 1.00 5.38 ? 40 SER A H 1 ATOM 351 H HG . SER A 1 40 ? 27.087 29.524 10.255 1.00 6.12 ? 40 SER A HG 1 ATOM 352 N N . PRO A 1 41 ? 24.348 29.197 11.707 1.00 7.57 ? 41 PRO A N 1 ATOM 353 C CA . PRO A 1 41 ? 22.947 29.492 11.388 1.00 8.37 ? 41 PRO A CA 1 ATOM 354 C C . PRO A 1 41 ? 22.655 29.379 9.884 1.00 8.31 ? 41 PRO A C 1 ATOM 355 O O . PRO A 1 41 ? 21.512 29.487 9.454 1.00 8.19 ? 41 PRO A O 1 ATOM 356 C CB . PRO A 1 41 ? 22.761 30.919 11.912 1.00 8.81 ? 41 PRO A CB 1 ATOM 357 C CG . PRO A 1 41 ? 24.147 31.509 11.845 1.00 9.15 ? 41 PRO A CG 1 ATOM 358 C CD . PRO A 1 41 ? 25.054 30.374 12.240 1.00 6.35 ? 41 PRO A CD 1 ATOM 359 N N . SER A 1 42 ? 23.686 29.113 9.090 1.00 8.77 ? 42 SER A N 1 ATOM 360 C CA . SER A 1 42 ? 23.525 28.979 7.648 1.00 8.60 ? 42 SER A CA 1 ATOM 361 C C . SER A 1 42 ? 22.661 27.758 7.317 1.00 10.26 ? 42 SER A C 1 ATOM 362 O O . SER A 1 42 ? 23.043 26.609 7.566 1.00 8.10 ? 42 SER A O 1 ATOM 363 C CB . SER A 1 42 ? 24.898 28.868 6.984 1.00 10.72 ? 42 SER A CB 1 ATOM 364 O OG . SER A 1 42 ? 24.762 28.809 5.582 1.00 10.23 ? 42 SER A OG 1 ATOM 365 H H . SER A 1 42 ? 24.580 28.968 9.462 1.00 8.77 ? 42 SER A H 1 ATOM 366 H HG . SER A 1 42 ? 24.405 27.951 5.343 1.00 10.23 ? 42 SER A HG 1 ATOM 367 N N . THR A 1 43 ? 21.476 28.015 6.776 1.00 11.10 ? 43 THR A N 1 ATOM 368 C CA . THR A 1 43 ? 20.548 26.938 6.441 1.00 13.39 ? 43 THR A CA 1 ATOM 369 C C . THR A 1 43 ? 20.687 26.475 5.004 1.00 15.34 ? 43 THR A C 1 ATOM 370 O O . THR A 1 43 ? 20.095 25.472 4.616 1.00 17.51 ? 43 THR A O 1 ATOM 371 C CB . THR A 1 43 ? 19.078 27.364 6.651 1.00 12.02 ? 43 THR A CB 1 ATOM 372 O OG1 . THR A 1 43 ? 18.816 28.550 5.890 1.00 13.68 ? 43 THR A OG1 1 ATOM 373 C CG2 . THR A 1 43 ? 18.797 27.636 8.116 1.00 12.38 ? 43 THR A CG2 1 ATOM 374 H H . THR A 1 43 ? 21.187 28.939 6.612 1.00 11.10 ? 43 THR A H 1 ATOM 375 H HG1 . THR A 1 43 ? 17.978 28.360 5.435 1.00 13.68 ? 43 THR A HG1 1 ATOM 376 N N . ASP A 1 44 ? 21.512 27.167 4.231 1.00 16.88 ? 44 ASP A N 1 ATOM 377 C CA . ASP A 1 44 ? 21.663 26.827 2.834 1.00 19.48 ? 44 ASP A CA 1 ATOM 378 C C . ASP A 1 44 ? 22.972 27.366 2.263 1.00 17.31 ? 44 ASP A C 1 ATOM 379 O O . ASP A 1 44 ? 23.398 28.459 2.614 1.00 16.27 ? 44 ASP A O 1 ATOM 380 C CB . ASP A 1 44 ? 20.457 27.416 2.095 1.00 26.53 ? 44 ASP A CB 1 ATOM 381 C CG . ASP A 1 44 ? 20.544 27.254 0.604 1.00 33.84 ? 44 ASP A CG 1 ATOM 382 O OD1 . ASP A 1 44 ? 20.695 26.103 0.131 1.00 37.97 ? 44 ASP A OD1 1 ATOM 383 O OD2 . ASP A 1 44 ? 20.456 28.293 -0.091 1.00 38.50 ? 44 ASP A OD2 1 ATOM 384 H H . ASP A 1 44 ? 22.026 27.918 4.581 1.00 16.88 ? 44 ASP A H 1 ATOM 385 N N . ASN A 1 45 ? 23.618 26.564 1.419 1.00 16.89 ? 45 ASN A N 1 ATOM 386 C CA . ASN A 1 45 ? 24.888 26.899 0.750 1.00 15.91 ? 45 ASN A CA 1 ATOM 387 C C . ASN A 1 45 ? 25.977 27.558 1.611 1.00 14.51 ? 45 ASN A C 1 ATOM 388 O O . ASN A 1 45 ? 26.364 28.703 1.378 1.00 15.58 ? 45 ASN A O 1 ATOM 389 C CB . ASN A 1 45 ? 24.629 27.750 -0.496 1.00 20.20 ? 45 ASN A CB 1 ATOM 390 C CG . ASN A 1 45 ? 23.523 27.180 -1.377 1.00 26.05 ? 45 ASN A CG 1 ATOM 391 O OD1 . ASN A 1 45 ? 23.550 26.007 -1.785 1.00 28.21 ? 45 ASN A OD1 1 ATOM 392 N ND2 . ASN A 1 45 ? 22.534 28.008 -1.664 1.00 27.99 ? 45 ASN A ND2 1 ATOM 393 H H . ASN A 1 45 ? 23.185 25.711 1.195 1.00 16.89 ? 45 ASN A H 1 ATOM 394 H HD21 . ASN A 1 45 ? 21.752 27.664 -2.145 1.00 27.99 ? 45 ASN A HD21 1 ATOM 395 H HD22 . ASN A 1 45 ? 22.573 28.932 -1.344 1.00 27.99 ? 45 ASN A HD22 1 ATOM 396 N N . PRO A 1 46 ? 26.527 26.820 2.585 1.00 12.64 ? 46 PRO A N 1 ATOM 397 C CA . PRO A 1 46 ? 26.161 25.437 2.891 1.00 10.90 ? 46 PRO A CA 1 ATOM 398 C C . PRO A 1 46 ? 25.126 25.351 4.017 1.00 9.40 ? 46 PRO A C 1 ATOM 399 O O . PRO A 1 46 ? 24.886 26.325 4.739 1.00 10.01 ? 46 PRO A O 1 ATOM 400 C CB . PRO A 1 46 ? 27.500 24.841 3.316 1.00 10.72 ? 46 PRO A CB 1 ATOM 401 C CG . PRO A 1 46 ? 28.095 25.965 4.100 1.00 12.52 ? 46 PRO A CG 1 ATOM 402 C CD . PRO A 1 46 ? 27.766 27.205 3.289 1.00 11.46 ? 46 PRO A CD 1 ATOM 403 N N . ASP A 1 47 ? 24.476 24.206 4.132 1.00 8.02 ? 47 ASP A N 1 ATOM 404 C CA . ASP A 1 47 ? 23.511 23.995 5.202 1.00 7.87 ? 47 ASP A CA 1 ATOM 405 C C . ASP A 1 47 ? 24.251 23.407 6.403 1.00 5.88 ? 47 ASP A C 1 ATOM 406 O O . ASP A 1 47 ? 24.561 22.222 6.411 1.00 5.07 ? 47 ASP A O 1 ATOM 407 C CB . ASP A 1 47 ? 22.416 23.018 4.762 1.00 8.16 ? 47 ASP A CB 1 ATOM 408 C CG . ASP A 1 47 ? 21.362 22.782 5.838 1.00 10.53 ? 47 ASP A CG 1 ATOM 409 O OD1 . ASP A 1 47 ? 21.455 23.348 6.949 1.00 9.42 ? 47 ASP A OD1 1 ATOM 410 O OD2 . ASP A 1 47 ? 20.421 22.005 5.571 1.00 12.67 ? 47 ASP A OD2 1 ATOM 411 H H . ASP A 1 47 ? 24.634 23.464 3.503 1.00 8.02 ? 47 ASP A H 1 ATOM 412 N N . TYR A 1 48 ? 24.573 24.245 7.385 1.00 5.92 ? 48 TYR A N 1 ATOM 413 C CA . TYR A 1 48 ? 25.237 23.793 8.609 1.00 5.94 ? 48 TYR A CA 1 ATOM 414 C C . TYR A 1 48 ? 24.255 23.865 9.775 1.00 7.13 ? 48 TYR A C 1 ATOM 415 O O . TYR A 1 48 ? 24.652 23.785 10.943 1.00 7.32 ? 48 TYR A O 1 ATOM 416 C CB . TYR A 1 48 ? 26.468 24.652 8.937 1.00 5.88 ? 48 TYR A CB 1 ATOM 417 C CG . TYR A 1 48 ? 27.749 24.236 8.255 1.00 3.97 ? 48 TYR A CG 1 ATOM 418 C CD1 . TYR A 1 48 ? 27.737 23.658 6.988 1.00 5.45 ? 48 TYR A CD1 1 ATOM 419 C CD2 . TYR A 1 48 ? 28.986 24.445 8.869 1.00 6.90 ? 48 TYR A CD2 1 ATOM 420 C CE1 . TYR A 1 48 ? 28.908 23.301 6.351 1.00 4.35 ? 48 TYR A CE1 1 ATOM 421 C CE2 . TYR A 1 48 ? 30.171 24.096 8.234 1.00 3.00 ? 48 TYR A CE2 1 ATOM 422 C CZ . TYR A 1 48 ? 30.125 23.524 6.983 1.00 4.91 ? 48 TYR A CZ 1 ATOM 423 O OH . TYR A 1 48 ? 31.284 23.174 6.341 1.00 3.97 ? 48 TYR A OH 1 ATOM 424 H H . TYR A 1 48 ? 24.335 25.188 7.289 1.00 5.92 ? 48 TYR A H 1 ATOM 425 H HH . TYR A 1 48 ? 31.944 23.821 6.540 1.00 3.97 ? 48 TYR A HH 1 ATOM 426 N N . PHE A 1 49 ? 22.969 23.984 9.462 1.00 6.55 ? 49 PHE A N 1 ATOM 427 C CA . PHE A 1 49 ? 21.949 24.082 10.493 1.00 5.25 ? 49 PHE A CA 1 ATOM 428 C C . PHE A 1 49 ? 21.654 22.701 11.078 1.00 6.88 ? 49 PHE A C 1 ATOM 429 O O . PHE A 1 49 ? 20.578 22.129 10.851 1.00 7.84 ? 49 PHE A O 1 ATOM 430 C CB . PHE A 1 49 ? 20.683 24.730 9.902 1.00 6.05 ? 49 PHE A CB 1 ATOM 431 C CG . PHE A 1 49 ? 19.758 25.330 10.927 1.00 7.71 ? 49 PHE A CG 1 ATOM 432 C CD1 . PHE A 1 49 ? 20.155 26.416 11.700 1.00 10.64 ? 49 PHE A CD1 1 ATOM 433 C CD2 . PHE A 1 49 ? 18.472 24.829 11.096 1.00 8.33 ? 49 PHE A CD2 1 ATOM 434 C CE1 . PHE A 1 49 ? 19.279 27.000 12.634 1.00 8.64 ? 49 PHE A CE1 1 ATOM 435 C CE2 . PHE A 1 49 ? 17.599 25.404 12.022 1.00 9.69 ? 49 PHE A CE2 1 ATOM 436 C CZ . PHE A 1 49 ? 18.009 26.490 12.789 1.00 9.68 ? 49 PHE A CZ 1 ATOM 437 H H . PHE A 1 49 ? 22.703 24.001 8.521 1.00 6.55 ? 49 PHE A H 1 ATOM 438 N N . TYR A 1 50 ? 22.631 22.173 11.820 1.00 3.68 ? 50 TYR A N 1 ATOM 439 C CA . TYR A 1 50 ? 22.563 20.870 12.467 1.00 3.82 ? 50 TYR A CA 1 ATOM 440 C C . TYR A 1 50 ? 23.435 20.964 13.707 1.00 5.11 ? 50 TYR A C 1 ATOM 441 O O . TYR A 1 50 ? 24.170 21.944 13.892 1.00 6.90 ? 50 TYR A O 1 ATOM 442 C CB . TYR A 1 50 ? 23.199 19.785 11.589 1.00 5.15 ? 50 TYR A CB 1 ATOM 443 C CG . TYR A 1 50 ? 22.549 19.573 10.253 1.00 7.88 ? 50 TYR A CG 1 ATOM 444 C CD1 . TYR A 1 50 ? 21.431 18.744 10.125 1.00 9.33 ? 50 TYR A CD1 1 ATOM 445 C CD2 . TYR A 1 50 ? 23.049 20.200 9.114 1.00 9.40 ? 50 TYR A CD2 1 ATOM 446 C CE1 . TYR A 1 50 ? 20.828 18.547 8.896 1.00 9.80 ? 50 TYR A CE1 1 ATOM 447 C CE2 . TYR A 1 50 ? 22.458 20.014 7.880 1.00 11.54 ? 50 TYR A CE2 1 ATOM 448 C CZ . TYR A 1 50 ? 21.344 19.188 7.776 1.00 14.33 ? 50 TYR A CZ 1 ATOM 449 O OH . TYR A 1 50 ? 20.750 19.008 6.541 1.00 18.95 ? 50 TYR A OH 1 ATOM 450 H H . TYR A 1 50 ? 23.449 22.699 11.972 1.00 3.68 ? 50 TYR A H 1 ATOM 451 H HH . TYR A 1 50 ? 21.125 19.648 5.909 1.00 18.95 ? 50 TYR A HH 1 ATOM 452 N N . THR A 1 51 ? 23.393 19.936 14.543 1.00 4.16 ? 51 THR A N 1 ATOM 453 C CA . THR A 1 51 ? 24.234 19.930 15.718 1.00 3.28 ? 51 THR A CA 1 ATOM 454 C C . THR A 1 51 ? 25.199 18.740 15.606 1.00 4.74 ? 51 THR A C 1 ATOM 455 O O . THR A 1 51 ? 24.771 17.591 15.455 1.00 4.13 ? 51 THR A O 1 ATOM 456 C CB . THR A 1 51 ? 23.409 19.873 17.020 1.00 3.16 ? 51 THR A CB 1 ATOM 457 O OG1 . THR A 1 51 ? 24.294 19.900 18.151 1.00 3.00 ? 51 THR A OG1 1 ATOM 458 C CG2 . THR A 1 51 ? 22.544 18.607 17.067 1.00 3.00 ? 51 THR A CG2 1 ATOM 459 H H . THR A 1 51 ? 22.814 19.159 14.360 1.00 4.16 ? 51 THR A H 1 ATOM 460 H HG1 . THR A 1 51 ? 24.741 20.761 18.198 1.00 3.00 ? 51 THR A HG1 1 ATOM 461 N N . TRP A 1 52 ? 26.495 19.039 15.575 1.00 4.10 ? 52 TRP A N 1 ATOM 462 C CA . TRP A 1 52 ? 27.538 18.019 15.483 1.00 3.49 ? 52 TRP A CA 1 ATOM 463 C C . TRP A 1 52 ? 28.030 17.712 16.894 1.00 4.89 ? 52 TRP A C 1 ATOM 464 O O . TRP A 1 52 ? 28.228 18.628 17.706 1.00 3.00 ? 52 TRP A O 1 ATOM 465 C CB . TRP A 1 52 ? 28.732 18.534 14.663 1.00 3.00 ? 52 TRP A CB 1 ATOM 466 C CG . TRP A 1 52 ? 28.663 18.330 13.184 1.00 3.00 ? 52 TRP A CG 1 ATOM 467 C CD1 . TRP A 1 52 ? 29.324 17.379 12.463 1.00 4.55 ? 52 TRP A CD1 1 ATOM 468 C CD2 . TRP A 1 52 ? 27.995 19.163 12.221 1.00 4.58 ? 52 TRP A CD2 1 ATOM 469 N NE1 . TRP A 1 52 ? 29.133 17.579 11.122 1.00 4.94 ? 52 TRP A NE1 1 ATOM 470 C CE2 . TRP A 1 52 ? 28.325 18.667 10.942 1.00 3.92 ? 52 TRP A CE2 1 ATOM 471 C CE3 . TRP A 1 52 ? 27.151 20.282 12.318 1.00 6.25 ? 52 TRP A CE3 1 ATOM 472 C CZ2 . TRP A 1 52 ? 27.849 19.249 9.759 1.00 5.84 ? 52 TRP A CZ2 1 ATOM 473 C CZ3 . TRP A 1 52 ? 26.667 20.862 11.130 1.00 7.23 ? 52 TRP A CZ3 1 ATOM 474 C CH2 . TRP A 1 52 ? 27.023 20.344 9.872 1.00 5.63 ? 52 TRP A CH2 1 ATOM 475 H H . TRP A 1 52 ? 26.770 19.978 15.642 1.00 4.10 ? 52 TRP A H 1 ATOM 476 H HE1 . TRP A 1 52 ? 29.556 17.037 10.415 1.00 4.94 ? 52 TRP A HE1 1 ATOM 477 N N . THR A 1 53 ? 28.252 16.438 17.184 1.00 5.26 ? 53 THR A N 1 ATOM 478 C CA . THR A 1 53 ? 28.751 16.041 18.500 1.00 5.46 ? 53 THR A CA 1 ATOM 479 C C . THR A 1 53 ? 30.133 16.681 18.748 1.00 5.54 ? 53 THR A C 1 ATOM 480 O O . THR A 1 53 ? 30.415 17.164 19.850 1.00 3.93 ? 53 THR A O 1 ATOM 481 C CB . THR A 1 53 ? 28.831 14.496 18.616 1.00 4.97 ? 53 THR A CB 1 ATOM 482 O OG1 . THR A 1 53 ? 27.518 13.952 18.453 1.00 7.88 ? 53 THR A OG1 1 ATOM 483 C CG2 . THR A 1 53 ? 29.359 14.071 19.970 1.00 3.00 ? 53 THR A CG2 1 ATOM 484 H H . THR A 1 53 ? 28.087 15.743 16.502 1.00 5.26 ? 53 THR A H 1 ATOM 485 H HG1 . THR A 1 53 ? 26.933 14.400 19.092 1.00 7.88 ? 53 THR A HG1 1 ATOM 486 N N . ARG A 1 54 ? 30.973 16.724 17.715 1.00 4.03 ? 54 ARG A N 1 ATOM 487 C CA . ARG A 1 54 ? 32.307 17.315 17.840 1.00 4.00 ? 54 ARG A CA 1 ATOM 488 C C . ARG A 1 54 ? 32.264 18.815 18.130 1.00 3.51 ? 54 ARG A C 1 ATOM 489 O O . ARG A 1 54 ? 32.792 19.259 19.145 1.00 3.02 ? 54 ARG A O 1 ATOM 490 C CB . ARG A 1 54 ? 33.147 17.043 16.580 1.00 3.00 ? 54 ARG A CB 1 ATOM 491 C CG . ARG A 1 54 ? 34.382 17.947 16.402 1.00 3.00 ? 54 ARG A CG 1 ATOM 492 C CD . ARG A 1 54 ? 35.177 17.581 15.128 1.00 3.49 ? 54 ARG A CD 1 ATOM 493 N NE . ARG A 1 54 ? 34.312 17.547 13.943 1.00 3.31 ? 54 ARG A NE 1 ATOM 494 C CZ . ARG A 1 54 ? 33.792 16.437 13.418 1.00 4.25 ? 54 ARG A CZ 1 ATOM 495 N NH1 . ARG A 1 54 ? 34.070 15.251 13.951 1.00 3.00 ? 54 ARG A NH1 1 ATOM 496 N NH2 . ARG A 1 54 ? 32.888 16.522 12.452 1.00 3.00 ? 54 ARG A NH2 1 ATOM 497 H H . ARG A 1 54 ? 30.695 16.349 16.850 1.00 4.03 ? 54 ARG A H 1 ATOM 498 H HE . ARG A 1 54 ? 34.105 18.397 13.480 1.00 3.31 ? 54 ARG A HE 1 ATOM 499 H HH11 . ARG A 1 54 ? 34.663 15.145 14.752 1.00 3.00 ? 54 ARG A HH11 1 ATOM 500 H HH12 . ARG A 1 54 ? 33.651 14.434 13.544 1.00 3.00 ? 54 ARG A HH12 1 ATOM 501 H HH21 . ARG A 1 54 ? 32.599 17.431 12.126 1.00 3.00 ? 54 ARG A HH21 1 ATOM 502 H HH22 . ARG A 1 54 ? 32.483 15.700 12.046 1.00 3.00 ? 54 ARG A HH22 1 ATOM 503 N N . ASP A 1 55 ? 31.641 19.599 17.252 1.00 3.00 ? 55 ASP A N 1 ATOM 504 C CA . ASP A 1 55 ? 31.582 21.053 17.465 1.00 3.21 ? 55 ASP A CA 1 ATOM 505 C C . ASP A 1 55 ? 30.962 21.369 18.816 1.00 3.38 ? 55 ASP A C 1 ATOM 506 O O . ASP A 1 55 ? 31.456 22.222 19.556 1.00 4.47 ? 55 ASP A O 1 ATOM 507 C CB . ASP A 1 55 ? 30.760 21.750 16.379 1.00 3.00 ? 55 ASP A CB 1 ATOM 508 C CG . ASP A 1 55 ? 31.308 21.526 14.992 1.00 4.77 ? 55 ASP A CG 1 ATOM 509 O OD1 . ASP A 1 55 ? 31.667 20.382 14.650 1.00 3.17 ? 55 ASP A OD1 1 ATOM 510 O OD2 . ASP A 1 55 ? 31.347 22.507 14.223 1.00 6.72 ? 55 ASP A OD2 1 ATOM 511 H H . ASP A 1 55 ? 31.242 19.215 16.442 1.00 3.00 ? 55 ASP A H 1 ATOM 512 N N . SER A 1 56 ? 29.871 20.689 19.140 1.00 3.00 ? 56 SER A N 1 ATOM 513 C CA . SER A 1 56 ? 29.205 20.924 20.418 1.00 3.58 ? 56 SER A CA 1 ATOM 514 C C . SER A 1 56 ? 30.130 20.666 21.601 1.00 3.00 ? 56 SER A C 1 ATOM 515 O O . SER A 1 56 ? 30.188 21.465 22.530 1.00 3.25 ? 56 SER A O 1 ATOM 516 C CB . SER A 1 56 ? 27.961 20.033 20.553 1.00 3.00 ? 56 SER A CB 1 ATOM 517 O OG . SER A 1 56 ? 27.033 20.343 19.525 1.00 8.77 ? 56 SER A OG 1 ATOM 518 H H . SER A 1 56 ? 29.512 20.025 18.519 1.00 3.00 ? 56 SER A H 1 ATOM 519 H HG . SER A 1 56 ? 27.414 20.081 18.675 1.00 8.77 ? 56 SER A HG 1 ATOM 520 N N . GLY A 1 57 ? 30.841 19.546 21.563 1.00 3.00 ? 57 GLY A N 1 ATOM 521 C CA . GLY A 1 57 ? 31.723 19.182 22.654 1.00 3.71 ? 57 GLY A CA 1 ATOM 522 C C . GLY A 1 57 ? 32.860 20.162 22.837 1.00 4.22 ? 57 GLY A C 1 ATOM 523 O O . GLY A 1 57 ? 33.241 20.482 23.967 1.00 3.00 ? 57 GLY A O 1 ATOM 524 H H . GLY A 1 57 ? 30.796 18.950 20.785 1.00 3.00 ? 57 GLY A H 1 ATOM 525 N N . LEU A 1 58 ? 33.429 20.608 21.721 1.00 4.24 ? 58 LEU A N 1 ATOM 526 C CA . LEU A 1 58 ? 34.530 21.565 21.745 1.00 3.91 ? 58 LEU A CA 1 ATOM 527 C C . LEU A 1 58 ? 34.069 22.919 22.272 1.00 3.00 ? 58 LEU A C 1 ATOM 528 O O . LEU A 1 58 ? 34.751 23.535 23.098 1.00 3.92 ? 58 LEU A O 1 ATOM 529 C CB . LEU A 1 58 ? 35.145 21.708 20.350 1.00 4.10 ? 58 LEU A CB 1 ATOM 530 C CG . LEU A 1 58 ? 35.999 20.495 19.950 1.00 6.44 ? 58 LEU A CG 1 ATOM 531 C CD1 . LEU A 1 58 ? 36.529 20.630 18.540 1.00 6.46 ? 58 LEU A CD1 1 ATOM 532 C CD2 . LEU A 1 58 ? 37.148 20.346 20.934 1.00 4.30 ? 58 LEU A CD2 1 ATOM 533 H H . LEU A 1 58 ? 33.097 20.281 20.852 1.00 4.24 ? 58 LEU A H 1 ATOM 534 N N . VAL A 1 59 ? 32.908 23.372 21.806 1.00 3.00 ? 59 VAL A N 1 ATOM 535 C CA . VAL A 1 59 ? 32.337 24.640 22.242 1.00 3.00 ? 59 VAL A CA 1 ATOM 536 C C . VAL A 1 59 ? 31.973 24.590 23.739 1.00 5.50 ? 59 VAL A C 1 ATOM 537 O O . VAL A 1 59 ? 32.336 25.498 24.496 1.00 6.33 ? 59 VAL A O 1 ATOM 538 C CB . VAL A 1 59 ? 31.079 25.013 21.385 1.00 4.94 ? 59 VAL A CB 1 ATOM 539 C CG1 . VAL A 1 59 ? 30.340 26.191 21.995 1.00 3.00 ? 59 VAL A CG1 1 ATOM 540 C CG2 . VAL A 1 59 ? 31.498 25.363 19.964 1.00 3.00 ? 59 VAL A CG2 1 ATOM 541 H H . VAL A 1 59 ? 32.427 22.840 21.139 1.00 3.00 ? 59 VAL A H 1 ATOM 542 N N . ILE A 1 60 ? 31.290 23.527 24.171 1.00 3.87 ? 60 ILE A N 1 ATOM 543 C CA . ILE A 1 60 ? 30.905 23.402 25.581 1.00 5.98 ? 60 ILE A CA 1 ATOM 544 C C . ILE A 1 60 ? 32.111 23.298 26.523 1.00 5.62 ? 60 ILE A C 1 ATOM 545 O O . ILE A 1 60 ? 32.085 23.846 27.621 1.00 4.89 ? 60 ILE A O 1 ATOM 546 C CB . ILE A 1 60 ? 29.897 22.241 25.814 1.00 7.74 ? 60 ILE A CB 1 ATOM 547 C CG1 . ILE A 1 60 ? 28.589 22.530 25.064 1.00 7.30 ? 60 ILE A CG1 1 ATOM 548 C CG2 . ILE A 1 60 ? 29.625 22.043 27.305 1.00 5.84 ? 60 ILE A CG2 1 ATOM 549 C CD1 . ILE A 1 60 ? 27.820 23.765 25.561 1.00 6.26 ? 60 ILE A CD1 1 ATOM 550 H H . ILE A 1 60 ? 31.027 22.836 23.525 1.00 3.87 ? 60 ILE A H 1 ATOM 551 N N . LYS A 1 61 ? 33.172 22.613 26.101 1.00 4.35 ? 61 LYS A N 1 ATOM 552 C CA . LYS A 1 61 ? 34.368 22.524 26.938 1.00 5.05 ? 61 LYS A CA 1 ATOM 553 C C . LYS A 1 61 ? 34.938 23.943 27.126 1.00 4.77 ? 61 LYS A C 1 ATOM 554 O O . LYS A 1 61 ? 35.366 24.299 28.222 1.00 5.05 ? 61 LYS A O 1 ATOM 555 C CB . LYS A 1 61 ? 35.415 21.565 26.327 1.00 4.17 ? 61 LYS A CB 1 ATOM 556 C CG . LYS A 1 61 ? 36.806 21.573 26.998 1.00 5.36 ? 61 LYS A CG 1 ATOM 557 C CD . LYS A 1 61 ? 36.752 21.253 28.480 1.00 5.78 ? 61 LYS A CD 1 ATOM 558 C CE . LYS A 1 61 ? 38.107 20.839 29.063 1.00 3.00 ? 61 LYS A CE 1 ATOM 559 N NZ . LYS A 1 61 ? 39.176 21.883 29.031 1.00 4.55 ? 61 LYS A NZ 1 ATOM 560 H H . LYS A 1 61 ? 33.145 22.150 25.238 1.00 4.35 ? 61 LYS A H 1 ATOM 561 H HZ1 . LYS A 1 61 ? 38.869 22.731 29.545 1.00 4.55 ? 61 LYS A HZ1 1 ATOM 562 H HZ2 . LYS A 1 61 ? 40.030 21.509 29.494 1.00 4.55 ? 61 LYS A HZ2 1 ATOM 563 H HZ3 . LYS A 1 61 ? 39.450 22.155 28.067 1.00 4.55 ? 61 LYS A HZ3 1 ATOM 564 N N . THR A 1 62 ? 34.863 24.769 26.081 1.00 4.55 ? 62 THR A N 1 ATOM 565 C CA . THR A 1 62 ? 35.353 26.148 26.151 1.00 4.71 ? 62 THR A CA 1 ATOM 566 C C . THR A 1 62 ? 34.499 26.945 27.128 1.00 3.72 ? 62 THR A C 1 ATOM 567 O O . THR A 1 62 ? 35.024 27.677 27.967 1.00 5.47 ? 62 THR A O 1 ATOM 568 C CB . THR A 1 62 ? 35.307 26.836 24.774 1.00 5.55 ? 62 THR A CB 1 ATOM 569 O OG1 . THR A 1 62 ? 36.079 26.073 23.845 1.00 7.55 ? 62 THR A OG1 1 ATOM 570 C CG2 . THR A 1 62 ? 35.875 28.264 24.843 1.00 3.02 ? 62 THR A CG2 1 ATOM 571 H H . THR A 1 62 ? 34.475 24.445 25.241 1.00 4.55 ? 62 THR A H 1 ATOM 572 H HG1 . THR A 1 62 ? 35.657 25.207 23.779 1.00 7.55 ? 62 THR A HG1 1 ATOM 573 N N . LEU A 1 63 ? 33.186 26.769 27.048 1.00 4.19 ? 63 LEU A N 1 ATOM 574 C CA . LEU A 1 63 ? 32.273 27.462 27.948 1.00 4.07 ? 63 LEU A CA 1 ATOM 575 C C . LEU A 1 63 ? 32.464 27.007 29.394 1.00 4.51 ? 63 LEU A C 1 ATOM 576 O O . LEU A 1 63 ? 32.409 27.830 30.312 1.00 7.18 ? 63 LEU A O 1 ATOM 577 C CB . LEU A 1 63 ? 30.817 27.275 27.513 1.00 4.94 ? 63 LEU A CB 1 ATOM 578 C CG . LEU A 1 63 ? 30.436 27.939 26.185 1.00 6.43 ? 63 LEU A CG 1 ATOM 579 C CD1 . LEU A 1 63 ? 28.926 27.891 26.018 1.00 5.06 ? 63 LEU A CD1 1 ATOM 580 C CD2 . LEU A 1 63 ? 30.925 29.374 26.140 1.00 3.85 ? 63 LEU A CD2 1 ATOM 581 H H . LEU A 1 63 ? 32.820 26.167 26.363 1.00 4.19 ? 63 LEU A H 1 ATOM 582 N N . VAL A 1 64 ? 32.681 25.713 29.605 1.00 4.45 ? 64 VAL A N 1 ATOM 583 C CA . VAL A 1 64 ? 32.909 25.172 30.950 1.00 3.16 ? 64 VAL A CA 1 ATOM 584 C C . VAL A 1 64 ? 34.153 25.810 31.572 1.00 3.74 ? 64 VAL A C 1 ATOM 585 O O . VAL A 1 64 ? 34.126 26.215 32.738 1.00 4.36 ? 64 VAL A O 1 ATOM 586 C CB . VAL A 1 64 ? 33.044 23.635 30.923 1.00 3.80 ? 64 VAL A CB 1 ATOM 587 C CG1 . VAL A 1 64 ? 33.552 23.106 32.265 1.00 3.00 ? 64 VAL A CG1 1 ATOM 588 C CG2 . VAL A 1 64 ? 31.680 23.006 30.611 1.00 3.80 ? 64 VAL A CG2 1 ATOM 589 H H . VAL A 1 64 ? 32.695 25.105 28.847 1.00 4.45 ? 64 VAL A H 1 ATOM 590 N N . ASP A 1 65 ? 35.226 25.947 30.795 1.00 5.23 ? 65 ASP A N 1 ATOM 591 C CA . ASP A 1 65 ? 36.445 26.569 31.311 1.00 5.65 ? 65 ASP A CA 1 ATOM 592 C C . ASP A 1 65 ? 36.228 28.059 31.650 1.00 5.99 ? 65 ASP A C 1 ATOM 593 O O . ASP A 1 65 ? 36.757 28.556 32.653 1.00 6.51 ? 65 ASP A O 1 ATOM 594 C CB . ASP A 1 65 ? 37.620 26.377 30.339 1.00 7.90 ? 65 ASP A CB 1 ATOM 595 C CG . ASP A 1 65 ? 38.129 24.936 30.302 1.00 11.12 ? 65 ASP A CG 1 ATOM 596 O OD1 . ASP A 1 65 ? 37.733 24.122 31.150 1.00 12.18 ? 65 ASP A OD1 1 ATOM 597 O OD2 . ASP A 1 65 ? 38.932 24.598 29.409 1.00 13.50 ? 65 ASP A OD2 1 ATOM 598 H H . ASP A 1 65 ? 35.208 25.608 29.869 1.00 5.23 ? 65 ASP A H 1 ATOM 599 N N . LEU A 1 66 ? 35.436 28.766 30.847 1.00 6.45 ? 66 LEU A N 1 ATOM 600 C CA . LEU A 1 66 ? 35.148 30.180 31.115 1.00 5.96 ? 66 LEU A CA 1 ATOM 601 C C . LEU A 1 66 ? 34.312 30.278 32.390 1.00 7.60 ? 66 LEU A C 1 ATOM 602 O O . LEU A 1 66 ? 34.569 31.122 33.253 1.00 7.66 ? 66 LEU A O 1 ATOM 603 C CB . LEU A 1 66 ? 34.394 30.834 29.954 1.00 4.53 ? 66 LEU A CB 1 ATOM 604 C CG . LEU A 1 66 ? 35.086 30.986 28.585 1.00 8.81 ? 66 LEU A CG 1 ATOM 605 C CD1 . LEU A 1 66 ? 34.152 31.687 27.627 1.00 10.26 ? 66 LEU A CD1 1 ATOM 606 C CD2 . LEU A 1 66 ? 36.378 31.778 28.693 1.00 9.94 ? 66 LEU A CD2 1 ATOM 607 H H . LEU A 1 66 ? 35.046 28.323 30.058 1.00 6.45 ? 66 LEU A H 1 ATOM 608 N N . PHE A 1 67 ? 33.335 29.383 32.514 1.00 6.16 ? 67 PHE A N 1 ATOM 609 C CA . PHE A 1 67 ? 32.456 29.329 33.671 1.00 8.41 ? 67 PHE A CA 1 ATOM 610 C C . PHE A 1 67 ? 33.272 29.118 34.955 1.00 9.74 ? 67 PHE A C 1 ATOM 611 O O . PHE A 1 67 ? 33.141 29.880 35.922 1.00 10.03 ? 67 PHE A O 1 ATOM 612 C CB . PHE A 1 67 ? 31.418 28.196 33.493 1.00 7.14 ? 67 PHE A CB 1 ATOM 613 C CG . PHE A 1 67 ? 30.614 27.904 34.730 1.00 11.27 ? 67 PHE A CG 1 ATOM 614 C CD1 . PHE A 1 67 ? 29.578 28.745 35.117 1.00 8.85 ? 67 PHE A CD1 1 ATOM 615 C CD2 . PHE A 1 67 ? 30.920 26.802 35.531 1.00 12.56 ? 67 PHE A CD2 1 ATOM 616 C CE1 . PHE A 1 67 ? 28.861 28.501 36.276 1.00 11.66 ? 67 PHE A CE1 1 ATOM 617 C CE2 . PHE A 1 67 ? 30.200 26.548 36.702 1.00 14.98 ? 67 PHE A CE2 1 ATOM 618 C CZ . PHE A 1 67 ? 29.173 27.405 37.073 1.00 14.91 ? 67 PHE A CZ 1 ATOM 619 H H . PHE A 1 67 ? 33.182 28.743 31.786 1.00 6.16 ? 67 PHE A H 1 ATOM 620 N N . ARG A 1 68 ? 34.135 28.105 34.945 1.00 6.98 ? 68 ARG A N 1 ATOM 621 C CA . ARG A 1 68 ? 34.965 27.796 36.093 1.00 8.78 ? 68 ARG A CA 1 ATOM 622 C C . ARG A 1 68 ? 35.901 28.949 36.424 1.00 11.56 ? 68 ARG A C 1 ATOM 623 O O . ARG A 1 68 ? 36.329 29.076 37.575 1.00 13.16 ? 68 ARG A O 1 ATOM 624 C CB . ARG A 1 68 ? 35.761 26.508 35.849 1.00 9.74 ? 68 ARG A CB 1 ATOM 625 C CG . ARG A 1 68 ? 34.876 25.286 35.668 1.00 10.68 ? 68 ARG A CG 1 ATOM 626 C CD . ARG A 1 68 ? 35.698 24.036 35.369 1.00 11.83 ? 68 ARG A CD 1 ATOM 627 N NE . ARG A 1 68 ? 36.447 23.620 36.545 1.00 12.02 ? 68 ARG A NE 1 ATOM 628 C CZ . ARG A 1 68 ? 37.114 22.479 36.643 1.00 14.48 ? 68 ARG A CZ 1 ATOM 629 N NH1 . ARG A 1 68 ? 37.147 21.617 35.625 1.00 11.80 ? 68 ARG A NH1 1 ATOM 630 N NH2 . ARG A 1 68 ? 37.706 22.184 37.785 1.00 14.61 ? 68 ARG A NH2 1 ATOM 631 H H . ARG A 1 68 ? 34.206 27.549 34.140 1.00 6.98 ? 68 ARG A H 1 ATOM 632 H HE . ARG A 1 68 ? 36.466 24.233 37.316 1.00 12.02 ? 68 ARG A HE 1 ATOM 633 H HH11 . ARG A 1 68 ? 36.679 21.814 34.760 1.00 11.80 ? 68 ARG A HH11 1 ATOM 634 H HH12 . ARG A 1 68 ? 37.640 20.741 35.699 1.00 11.80 ? 68 ARG A HH12 1 ATOM 635 H HH21 . ARG A 1 68 ? 37.647 22.831 38.550 1.00 14.61 ? 68 ARG A HH21 1 ATOM 636 H HH22 . ARG A 1 68 ? 38.243 21.341 37.891 1.00 14.61 ? 68 ARG A HH22 1 ATOM 637 N N . ASN A 1 69 ? 36.226 29.780 35.432 1.00 11.75 ? 69 ASN A N 1 ATOM 638 C CA . ASN A 1 69 ? 37.092 30.939 35.668 1.00 15.46 ? 69 ASN A CA 1 ATOM 639 C C . ASN A 1 69 ? 36.281 32.157 36.117 1.00 14.93 ? 69 ASN A C 1 ATOM 640 O O . ASN A 1 69 ? 36.810 33.257 36.176 1.00 17.49 ? 69 ASN A O 1 ATOM 641 C CB . ASN A 1 69 ? 37.922 31.312 34.428 1.00 16.47 ? 69 ASN A CB 1 ATOM 642 C CG . ASN A 1 69 ? 39.010 30.294 34.113 1.00 22.07 ? 69 ASN A CG 1 ATOM 643 O OD1 . ASN A 1 69 ? 39.484 29.567 34.991 1.00 22.78 ? 69 ASN A OD1 1 ATOM 644 N ND2 . ASN A 1 69 ? 39.402 30.228 32.844 1.00 24.92 ? 69 ASN A ND2 1 ATOM 645 H H . ASN A 1 69 ? 35.901 29.607 34.524 1.00 11.75 ? 69 ASN A H 1 ATOM 646 H HD21 . ASN A 1 69 ? 40.073 29.557 32.594 1.00 24.92 ? 69 ASN A HD21 1 ATOM 647 H HD22 . ASN A 1 69 ? 38.991 30.851 32.200 1.00 24.92 ? 69 ASN A HD22 1 ATOM 648 N N . GLY A 1 70 ? 34.992 31.976 36.377 1.00 15.02 ? 70 GLY A N 1 ATOM 649 C CA . GLY A 1 70 ? 34.186 33.087 36.849 1.00 14.43 ? 70 GLY A CA 1 ATOM 650 C C . GLY A 1 70 ? 33.018 33.556 36.006 1.00 15.10 ? 70 GLY A C 1 ATOM 651 O O . GLY A 1 70 ? 32.263 34.417 36.446 1.00 14.76 ? 70 GLY A O 1 ATOM 652 H H . GLY A 1 70 ? 34.577 31.103 36.252 1.00 15.02 ? 70 GLY A H 1 ATOM 653 N N . ASP A 1 71 ? 32.854 33.034 34.798 1.00 13.62 ? 71 ASP A N 1 ATOM 654 C CA . ASP A 1 71 ? 31.731 33.470 33.960 1.00 13.49 ? 71 ASP A CA 1 ATOM 655 C C . ASP A 1 71 ? 30.510 32.656 34.405 1.00 13.01 ? 71 ASP A C 1 ATOM 656 O O . ASP A 1 71 ? 30.022 31.786 33.678 1.00 12.69 ? 71 ASP A O 1 ATOM 657 C CB . ASP A 1 71 ? 32.067 33.220 32.481 1.00 12.55 ? 71 ASP A CB 1 ATOM 658 C CG . ASP A 1 71 ? 31.188 34.012 31.530 1.00 14.76 ? 71 ASP A CG 1 ATOM 659 O OD1 . ASP A 1 71 ? 30.085 34.458 31.911 1.00 16.90 ? 71 ASP A OD1 1 ATOM 660 O OD2 . ASP A 1 71 ? 31.599 34.177 30.369 1.00 14.72 ? 71 ASP A OD2 1 ATOM 661 H H . ASP A 1 71 ? 33.472 32.350 34.474 1.00 13.62 ? 71 ASP A H 1 ATOM 662 N N . THR A 1 72 ? 30.007 32.965 35.595 1.00 13.19 ? 72 THR A N 1 ATOM 663 C CA . THR A 1 72 ? 28.899 32.233 36.190 1.00 14.47 ? 72 THR A CA 1 ATOM 664 C C . THR A 1 72 ? 27.592 32.218 35.424 1.00 13.89 ? 72 THR A C 1 ATOM 665 O O . THR A 1 72 ? 26.791 31.291 35.580 1.00 13.05 ? 72 THR A O 1 ATOM 666 C CB . THR A 1 72 ? 28.638 32.691 37.637 1.00 16.11 ? 72 THR A CB 1 ATOM 667 O OG1 . THR A 1 72 ? 28.401 34.100 37.654 1.00 21.85 ? 72 THR A OG1 1 ATOM 668 C CG2 . THR A 1 72 ? 29.826 32.368 38.522 1.00 16.98 ? 72 THR A CG2 1 ATOM 669 H H . THR A 1 72 ? 30.378 33.741 36.074 1.00 13.19 ? 72 THR A H 1 ATOM 670 H HG1 . THR A 1 72 ? 28.278 34.348 38.577 1.00 21.85 ? 72 THR A HG1 1 ATOM 671 N N . ASP A 1 73 ? 27.376 33.235 34.602 1.00 13.60 ? 73 ASP A N 1 ATOM 672 C CA . ASP A 1 73 ? 26.162 33.328 33.801 1.00 16.36 ? 73 ASP A CA 1 ATOM 673 C C . ASP A 1 73 ? 25.990 32.212 32.770 1.00 15.59 ? 73 ASP A C 1 ATOM 674 O O . ASP A 1 73 ? 24.900 32.041 32.235 1.00 16.46 ? 73 ASP A O 1 ATOM 675 C CB . ASP A 1 73 ? 26.086 34.682 33.090 1.00 21.59 ? 73 ASP A CB 1 ATOM 676 C CG . ASP A 1 73 ? 25.745 35.830 34.041 1.00 29.83 ? 73 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 73 ? 25.253 35.573 35.172 1.00 34.56 ? 73 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 73 ? 25.979 37.000 33.649 1.00 34.37 ? 73 ASP A OD2 1 ATOM 679 H H . ASP A 1 73 ? 28.041 33.957 34.548 1.00 13.60 ? 73 ASP A H 1 ATOM 680 N N . LEU A 1 74 ? 27.052 31.460 32.495 1.00 12.19 ? 74 LEU A N 1 ATOM 681 C CA . LEU A 1 74 ? 26.991 30.365 31.527 1.00 11.19 ? 74 LEU A CA 1 ATOM 682 C C . LEU A 1 74 ? 26.390 29.087 32.112 1.00 10.43 ? 74 LEU A C 1 ATOM 683 O O . LEU A 1 74 ? 26.130 28.131 31.385 1.00 10.72 ? 74 LEU A O 1 ATOM 684 C CB . LEU A 1 74 ? 28.397 30.065 31.005 1.00 6.53 ? 74 LEU A CB 1 ATOM 685 C CG . LEU A 1 74 ? 29.069 31.208 30.256 1.00 7.99 ? 74 LEU A CG 1 ATOM 686 C CD1 . LEU A 1 74 ? 30.531 30.854 29.967 1.00 7.29 ? 74 LEU A CD1 1 ATOM 687 C CD2 . LEU A 1 74 ? 28.296 31.495 28.967 1.00 10.82 ? 74 LEU A CD2 1 ATOM 688 H H . LEU A 1 74 ? 27.915 31.651 32.939 1.00 12.19 ? 74 LEU A H 1 ATOM 689 N N . LEU A 1 75 ? 26.139 29.076 33.416 1.00 9.53 ? 75 LEU A N 1 ATOM 690 C CA . LEU A 1 75 ? 25.606 27.894 34.086 1.00 9.69 ? 75 LEU A CA 1 ATOM 691 C C . LEU A 1 75 ? 24.393 27.230 33.421 1.00 9.77 ? 75 LEU A C 1 ATOM 692 O O . LEU A 1 75 ? 24.411 26.024 33.146 1.00 7.35 ? 75 LEU A O 1 ATOM 693 C CB . LEU A 1 75 ? 25.284 28.206 35.557 1.00 10.13 ? 75 LEU A CB 1 ATOM 694 C CG . LEU A 1 75 ? 24.678 27.069 36.393 1.00 11.51 ? 75 LEU A CG 1 ATOM 695 C CD1 . LEU A 1 75 ? 25.669 25.935 36.583 1.00 10.72 ? 75 LEU A CD1 1 ATOM 696 C CD2 . LEU A 1 75 ? 24.228 27.611 37.752 1.00 15.28 ? 75 LEU A CD2 1 ATOM 697 H H . LEU A 1 75 ? 26.312 29.878 33.948 1.00 9.53 ? 75 LEU A H 1 ATOM 698 N N . SER A 1 76 ? 23.353 28.008 33.143 1.00 8.90 ? 76 SER A N 1 ATOM 699 C CA . SER A 1 76 ? 22.145 27.450 32.554 1.00 8.23 ? 76 SER A CA 1 ATOM 700 C C . SER A 1 76 ? 22.394 26.855 31.175 1.00 7.66 ? 76 SER A C 1 ATOM 701 O O . SER A 1 76 ? 21.785 25.853 30.800 1.00 8.29 ? 76 SER A O 1 ATOM 702 C CB . SER A 1 76 ? 21.046 28.513 32.503 1.00 9.04 ? 76 SER A CB 1 ATOM 703 O OG . SER A 1 76 ? 21.425 29.577 31.647 1.00 14.90 ? 76 SER A OG 1 ATOM 704 H H . SER A 1 76 ? 23.374 28.968 33.352 1.00 8.90 ? 76 SER A H 1 ATOM 705 H HG . SER A 1 76 ? 22.255 30.012 31.908 1.00 14.90 ? 76 SER A HG 1 ATOM 706 N N . THR A 1 77 ? 23.288 27.473 30.414 1.00 8.28 ? 77 THR A N 1 ATOM 707 C CA . THR A 1 77 ? 23.615 26.982 29.087 1.00 7.38 ? 77 THR A CA 1 ATOM 708 C C . THR A 1 77 ? 24.226 25.586 29.211 1.00 6.29 ? 77 THR A C 1 ATOM 709 O O . THR A 1 77 ? 23.830 24.662 28.486 1.00 4.59 ? 77 THR A O 1 ATOM 710 C CB . THR A 1 77 ? 24.626 27.909 28.385 1.00 7.53 ? 77 THR A CB 1 ATOM 711 O OG1 . THR A 1 77 ? 24.038 29.199 28.183 1.00 9.83 ? 77 THR A OG1 1 ATOM 712 C CG2 . THR A 1 77 ? 25.047 27.333 27.034 1.00 10.20 ? 77 THR A CG2 1 ATOM 713 H H . THR A 1 77 ? 23.720 28.302 30.717 1.00 8.28 ? 77 THR A H 1 ATOM 714 H HG1 . THR A 1 77 ? 23.314 29.069 27.549 1.00 9.83 ? 77 THR A HG1 1 ATOM 715 N N . ILE A 1 78 ? 25.163 25.432 30.147 1.00 3.50 ? 78 ILE A N 1 ATOM 716 C CA . ILE A 1 78 ? 25.830 24.154 30.359 1.00 4.98 ? 78 ILE A CA 1 ATOM 717 C C . ILE A 1 78 ? 24.842 23.073 30.814 1.00 5.78 ? 78 ILE A C 1 ATOM 718 O O . ILE A 1 78 ? 24.855 21.952 30.297 1.00 5.45 ? 78 ILE A O 1 ATOM 719 C CB . ILE A 1 78 ? 27.045 24.297 31.332 1.00 5.22 ? 78 ILE A CB 1 ATOM 720 C CG1 . ILE A 1 78 ? 28.065 25.269 30.724 1.00 6.63 ? 78 ILE A CG1 1 ATOM 721 C CG2 . ILE A 1 78 ? 27.729 22.957 31.526 1.00 5.49 ? 78 ILE A CG2 1 ATOM 722 C CD1 . ILE A 1 78 ? 29.101 25.799 31.689 1.00 6.11 ? 78 ILE A CD1 1 ATOM 723 H H . ILE A 1 78 ? 25.403 26.203 30.709 1.00 3.50 ? 78 ILE A H 1 ATOM 724 N N . GLU A 1 79 ? 23.947 23.427 31.731 1.00 6.35 ? 79 GLU A N 1 ATOM 725 C CA . GLU A 1 79 ? 22.950 22.475 32.212 1.00 8.22 ? 79 GLU A CA 1 ATOM 726 C C . GLU A 1 79 ? 22.051 22.013 31.078 1.00 6.43 ? 79 GLU A C 1 ATOM 727 O O . GLU A 1 79 ? 21.737 20.827 30.970 1.00 5.71 ? 79 GLU A O 1 ATOM 728 C CB . GLU A 1 79 ? 22.098 23.097 33.311 1.00 8.38 ? 79 GLU A CB 1 ATOM 729 C CG . GLU A 1 79 ? 22.848 23.269 34.617 1.00 13.19 ? 79 GLU A CG 1 ATOM 730 C CD . GLU A 1 79 ? 22.014 23.916 35.694 1.00 14.16 ? 79 GLU A CD 1 ATOM 731 O OE1 . GLU A 1 79 ? 20.992 24.549 35.364 1.00 17.29 ? 79 GLU A OE1 1 ATOM 732 O OE2 . GLU A 1 79 ? 22.383 23.797 36.872 1.00 16.40 ? 79 GLU A OE2 1 ATOM 733 H H . GLU A 1 79 ? 23.975 24.331 32.111 1.00 6.35 ? 79 GLU A H 1 ATOM 734 N N . HIS A 1 80 ? 21.624 22.954 30.242 1.00 4.19 ? 80 HIS A N 1 ATOM 735 C CA . HIS A 1 80 ? 20.753 22.629 29.115 1.00 3.20 ? 80 HIS A CA 1 ATOM 736 C C . HIS A 1 80 ? 21.469 21.683 28.160 1.00 4.13 ? 80 HIS A C 1 ATOM 737 O O . HIS A 1 80 ? 20.862 20.749 27.632 1.00 5.06 ? 80 HIS A O 1 ATOM 738 C CB . HIS A 1 80 ? 20.347 23.896 28.361 1.00 4.52 ? 80 HIS A CB 1 ATOM 739 C CG . HIS A 1 80 ? 19.516 24.848 29.166 1.00 6.78 ? 80 HIS A CG 1 ATOM 740 N ND1 . HIS A 1 80 ? 19.308 26.152 28.780 1.00 8.23 ? 80 HIS A ND1 1 ATOM 741 C CD2 . HIS A 1 80 ? 18.882 24.702 30.352 1.00 8.62 ? 80 HIS A CD2 1 ATOM 742 C CE1 . HIS A 1 80 ? 18.586 26.774 29.694 1.00 5.99 ? 80 HIS A CE1 1 ATOM 743 N NE2 . HIS A 1 80 ? 18.315 25.912 30.660 1.00 7.54 ? 80 HIS A NE2 1 ATOM 744 H H . HIS A 1 80 ? 21.910 23.875 30.387 1.00 4.19 ? 80 HIS A H 1 ATOM 745 H HD1 . HIS A 1 80 ? 19.614 26.575 27.955 1.00 8.23 ? 80 HIS A HD1 1 ATOM 746 H HE2 . HIS A 1 80 ? 17.791 26.118 31.454 1.00 7.54 ? 80 HIS A HE2 1 ATOM 747 N N . TYR A 1 81 ? 22.760 21.922 27.932 1.00 3.33 ? 81 TYR A N 1 ATOM 748 C CA . TYR A 1 81 ? 23.533 21.065 27.044 1.00 4.40 ? 81 TYR A CA 1 ATOM 749 C C . TYR A 1 81 ? 23.559 19.643 27.581 1.00 4.04 ? 81 TYR A C 1 ATOM 750 O O . TYR A 1 81 ? 23.306 18.683 26.869 1.00 4.96 ? 81 TYR A O 1 ATOM 751 C CB . TYR A 1 81 ? 24.974 21.563 26.912 1.00 4.78 ? 81 TYR A CB 1 ATOM 752 C CG . TYR A 1 81 ? 25.901 20.541 26.276 1.00 4.91 ? 81 TYR A CG 1 ATOM 753 C CD1 . TYR A 1 81 ? 25.853 20.279 24.897 1.00 4.02 ? 81 TYR A CD1 1 ATOM 754 C CD2 . TYR A 1 81 ? 26.823 19.839 27.052 1.00 5.25 ? 81 TYR A CD2 1 ATOM 755 C CE1 . TYR A 1 81 ? 26.709 19.342 24.313 1.00 3.00 ? 81 TYR A CE1 1 ATOM 756 C CE2 . TYR A 1 81 ? 27.686 18.904 26.480 1.00 4.44 ? 81 TYR A CE2 1 ATOM 757 C CZ . TYR A 1 81 ? 27.625 18.664 25.117 1.00 6.40 ? 81 TYR A CZ 1 ATOM 758 O OH . TYR A 1 81 ? 28.501 17.759 24.570 1.00 3.91 ? 81 TYR A OH 1 ATOM 759 H H . TYR A 1 81 ? 23.213 22.694 28.354 1.00 3.33 ? 81 TYR A H 1 ATOM 760 H HH . TYR A 1 81 ? 29.029 17.391 25.291 1.00 3.91 ? 81 TYR A HH 1 ATOM 761 N N . ILE A 1 82 ? 23.911 19.506 28.842 1.00 4.89 ? 82 ILE A N 1 ATOM 762 C CA . ILE A 1 82 ? 23.967 18.188 29.449 1.00 6.11 ? 82 ILE A CA 1 ATOM 763 C C . ILE A 1 82 ? 22.590 17.509 29.374 1.00 6.01 ? 82 ILE A C 1 ATOM 764 O O . ILE A 1 82 ? 22.488 16.344 29.008 1.00 3.51 ? 82 ILE A O 1 ATOM 765 C CB . ILE A 1 82 ? 24.528 18.291 30.889 1.00 6.10 ? 82 ILE A CB 1 ATOM 766 C CG1 . ILE A 1 82 ? 26.036 18.551 30.801 1.00 8.13 ? 82 ILE A CG1 1 ATOM 767 C CG2 . ILE A 1 82 ? 24.221 17.040 31.677 1.00 4.12 ? 82 ILE A CG2 1 ATOM 768 C CD1 . ILE A 1 82 ? 26.643 19.075 32.058 1.00 13.32 ? 82 ILE A CD1 1 ATOM 769 H H . ILE A 1 82 ? 24.141 20.309 29.372 1.00 4.89 ? 82 ILE A H 1 ATOM 770 N N . SER A 1 83 ? 21.525 18.251 29.663 1.00 5.76 ? 83 SER A N 1 ATOM 771 C CA . SER A 1 83 ? 20.194 17.676 29.580 1.00 6.06 ? 83 SER A CA 1 ATOM 772 C C . SER A 1 83 ? 19.868 17.192 28.163 1.00 6.00 ? 83 SER A C 1 ATOM 773 O O . SER A 1 83 ? 19.296 16.111 28.003 1.00 5.71 ? 83 SER A O 1 ATOM 774 C CB . SER A 1 83 ? 19.143 18.681 30.062 1.00 9.09 ? 83 SER A CB 1 ATOM 775 O OG . SER A 1 83 ? 19.248 18.838 31.466 1.00 11.77 ? 83 SER A OG 1 ATOM 776 H H . SER A 1 83 ? 21.635 19.183 29.955 1.00 5.76 ? 83 SER A H 1 ATOM 777 H HG . SER A 1 83 ? 18.830 18.060 31.860 1.00 11.77 ? 83 SER A HG 1 ATOM 778 N N . SER A 1 84 ? 20.242 17.979 27.153 1.00 5.09 ? 84 SER A N 1 ATOM 779 C CA . SER A 1 84 ? 19.990 17.634 25.753 1.00 6.62 ? 84 SER A CA 1 ATOM 780 C C . SER A 1 84 ? 20.739 16.360 25.331 1.00 6.72 ? 84 SER A C 1 ATOM 781 O O . SER A 1 84 ? 20.234 15.559 24.533 1.00 6.93 ? 84 SER A O 1 ATOM 782 C CB . SER A 1 84 ? 20.362 18.813 24.818 1.00 6.91 ? 84 SER A CB 1 ATOM 783 O OG . SER A 1 84 ? 21.771 18.953 24.622 1.00 7.96 ? 84 SER A OG 1 ATOM 784 H H . SER A 1 84 ? 20.711 18.826 27.320 1.00 5.09 ? 84 SER A H 1 ATOM 785 H HG . SER A 1 84 ? 21.897 19.792 24.155 1.00 7.96 ? 84 SER A HG 1 ATOM 786 N N . GLN A 1 85 ? 21.919 16.146 25.903 1.00 4.72 ? 85 GLN A N 1 ATOM 787 C CA . GLN A 1 85 ? 22.711 14.980 25.553 1.00 5.49 ? 85 GLN A CA 1 ATOM 788 C C . GLN A 1 85 ? 22.154 13.690 26.123 1.00 4.17 ? 85 GLN A C 1 ATOM 789 O O . GLN A 1 85 ? 22.317 12.641 25.513 1.00 3.23 ? 85 GLN A O 1 ATOM 790 C CB . GLN A 1 85 ? 24.180 15.189 25.916 1.00 5.42 ? 85 GLN A CB 1 ATOM 791 C CG . GLN A 1 85 ? 24.784 16.394 25.191 1.00 3.10 ? 85 GLN A CG 1 ATOM 792 C CD . GLN A 1 85 ? 24.563 16.375 23.677 1.00 5.10 ? 85 GLN A CD 1 ATOM 793 O OE1 . GLN A 1 85 ? 25.133 15.542 22.954 1.00 5.17 ? 85 GLN A OE1 1 ATOM 794 N NE2 . GLN A 1 85 ? 23.760 17.310 23.190 1.00 3.00 ? 85 GLN A NE2 1 ATOM 795 H H . GLN A 1 85 ? 22.259 16.813 26.541 1.00 4.72 ? 85 GLN A H 1 ATOM 796 H HE21 . GLN A 1 85 ? 23.633 17.346 22.218 1.00 3.00 ? 85 GLN A HE21 1 ATOM 797 H HE22 . GLN A 1 85 ? 23.336 17.942 23.818 1.00 3.00 ? 85 GLN A HE22 1 ATOM 798 N N . ALA A 1 86 ? 21.472 13.765 27.268 1.00 3.30 ? 86 ALA A N 1 ATOM 799 C CA . ALA A 1 86 ? 20.837 12.582 27.859 1.00 3.52 ? 86 ALA A CA 1 ATOM 800 C C . ALA A 1 86 ? 19.808 12.044 26.837 1.00 5.80 ? 86 ALA A C 1 ATOM 801 O O . ALA A 1 86 ? 19.639 10.822 26.666 1.00 4.76 ? 86 ALA A O 1 ATOM 802 C CB . ALA A 1 86 ? 20.153 12.948 29.157 1.00 4.33 ? 86 ALA A CB 1 ATOM 803 H H . ALA A 1 86 ? 21.409 14.637 27.723 1.00 3.30 ? 86 ALA A H 1 ATOM 804 N N . ILE A 1 87 ? 19.137 12.965 26.147 1.00 3.88 ? 87 ILE A N 1 ATOM 805 C CA . ILE A 1 87 ? 18.177 12.596 25.121 1.00 6.74 ? 87 ILE A CA 1 ATOM 806 C C . ILE A 1 87 ? 18.907 12.109 23.854 1.00 6.67 ? 87 ILE A C 1 ATOM 807 O O . ILE A 1 87 ? 18.669 10.987 23.389 1.00 7.87 ? 87 ILE A O 1 ATOM 808 C CB . ILE A 1 87 ? 17.244 13.783 24.786 1.00 8.74 ? 87 ILE A CB 1 ATOM 809 C CG1 . ILE A 1 87 ? 16.346 14.064 25.988 1.00 11.88 ? 87 ILE A CG1 1 ATOM 810 C CG2 . ILE A 1 87 ? 16.405 13.486 23.539 1.00 6.93 ? 87 ILE A CG2 1 ATOM 811 C CD1 . ILE A 1 87 ? 15.574 15.347 25.877 1.00 14.99 ? 87 ILE A CD1 1 ATOM 812 H H . ILE A 1 87 ? 19.304 13.913 26.334 1.00 3.88 ? 87 ILE A H 1 ATOM 813 N N . ILE A 1 88 ? 19.819 12.923 23.324 1.00 4.99 ? 88 ILE A N 1 ATOM 814 C CA . ILE A 1 88 ? 20.570 12.574 22.106 1.00 6.31 ? 88 ILE A CA 1 ATOM 815 C C . ILE A 1 88 ? 21.227 11.174 22.158 1.00 5.81 ? 88 ILE A C 1 ATOM 816 O O . ILE A 1 88 ? 21.237 10.449 21.155 1.00 5.63 ? 88 ILE A O 1 ATOM 817 C CB . ILE A 1 88 ? 21.663 13.646 21.790 1.00 8.12 ? 88 ILE A CB 1 ATOM 818 C CG1 . ILE A 1 88 ? 21.025 14.919 21.233 1.00 10.95 ? 88 ILE A CG1 1 ATOM 819 C CG2 . ILE A 1 88 ? 22.673 13.122 20.781 1.00 8.01 ? 88 ILE A CG2 1 ATOM 820 C CD1 . ILE A 1 88 ? 20.372 14.709 19.902 1.00 13.11 ? 88 ILE A CD1 1 ATOM 821 H H . ILE A 1 88 ? 19.980 13.803 23.735 1.00 4.99 ? 88 ILE A H 1 ATOM 822 N N . GLN A 1 89 ? 21.796 10.805 23.309 1.00 4.82 ? 89 GLN A N 1 ATOM 823 C CA . GLN A 1 89 ? 22.435 9.493 23.469 1.00 4.66 ? 89 GLN A CA 1 ATOM 824 C C . GLN A 1 89 ? 21.498 8.326 23.148 1.00 4.62 ? 89 GLN A C 1 ATOM 825 O O . GLN A 1 89 ? 21.934 7.305 22.604 1.00 4.78 ? 89 GLN A O 1 ATOM 826 C CB . GLN A 1 89 ? 22.978 9.324 24.892 1.00 3.06 ? 89 GLN A CB 1 ATOM 827 C CG . GLN A 1 89 ? 24.335 9.976 25.121 1.00 3.27 ? 89 GLN A CG 1 ATOM 828 C CD . GLN A 1 89 ? 24.905 9.662 26.493 1.00 5.43 ? 89 GLN A CD 1 ATOM 829 O OE1 . GLN A 1 89 ? 24.211 9.128 27.366 1.00 4.73 ? 89 GLN A OE1 1 ATOM 830 N NE2 . GLN A 1 89 ? 26.172 9.982 26.690 1.00 3.00 ? 89 GLN A NE2 1 ATOM 831 H H . GLN A 1 89 ? 21.793 11.433 24.061 1.00 4.82 ? 89 GLN A H 1 ATOM 832 H HE21 . GLN A 1 89 ? 26.584 9.797 27.559 1.00 3.00 ? 89 GLN A HE21 1 ATOM 833 H HE22 . GLN A 1 89 ? 26.684 10.400 25.962 1.00 3.00 ? 89 GLN A HE22 1 ATOM 834 N N . GLY A 1 90 ? 20.218 8.492 23.478 1.00 5.01 ? 90 GLY A N 1 ATOM 835 C CA . GLY A 1 90 ? 19.239 7.453 23.229 1.00 6.92 ? 90 GLY A CA 1 ATOM 836 C C . GLY A 1 90 ? 18.570 7.513 21.866 1.00 7.58 ? 90 GLY A C 1 ATOM 837 O O . GLY A 1 90 ? 17.769 6.643 21.535 1.00 6.75 ? 90 GLY A O 1 ATOM 838 H H . GLY A 1 90 ? 19.916 9.316 23.908 1.00 5.01 ? 90 GLY A H 1 ATOM 839 N N . VAL A 1 91 ? 18.885 8.521 21.061 1.00 6.27 ? 91 VAL A N 1 ATOM 840 C CA . VAL A 1 91 ? 18.268 8.628 19.749 1.00 7.79 ? 91 VAL A CA 1 ATOM 841 C C . VAL A 1 91 ? 18.807 7.574 18.767 1.00 8.51 ? 91 VAL A C 1 ATOM 842 O O . VAL A 1 91 ? 20.007 7.536 18.453 1.00 9.14 ? 91 VAL A O 1 ATOM 843 C CB . VAL A 1 91 ? 18.445 10.048 19.154 1.00 8.07 ? 91 VAL A CB 1 ATOM 844 C CG1 . VAL A 1 91 ? 17.897 10.101 17.731 1.00 8.88 ? 91 VAL A CG1 1 ATOM 845 C CG2 . VAL A 1 91 ? 17.715 11.072 20.027 1.00 6.85 ? 91 VAL A CG2 1 ATOM 846 H H . VAL A 1 91 ? 19.554 9.182 21.340 1.00 6.27 ? 91 VAL A H 1 ATOM 847 N N . SER A 1 92 ? 17.909 6.706 18.316 1.00 7.03 ? 92 SER A N 1 ATOM 848 C CA . SER A 1 92 ? 18.227 5.665 17.349 1.00 7.92 ? 92 SER A CA 1 ATOM 849 C C . SER A 1 92 ? 18.614 6.395 16.058 1.00 6.77 ? 92 SER A C 1 ATOM 850 O O . SER A 1 92 ? 17.881 7.248 15.585 1.00 6.72 ? 92 SER A O 1 ATOM 851 C CB . SER A 1 92 ? 16.985 4.812 17.124 1.00 8.84 ? 92 SER A CB 1 ATOM 852 O OG . SER A 1 92 ? 17.291 3.697 16.306 1.00 20.80 ? 92 SER A OG 1 ATOM 853 H H . SER A 1 92 ? 16.983 6.779 18.633 1.00 7.03 ? 92 SER A H 1 ATOM 854 H HG . SER A 1 92 ? 17.211 2.893 16.845 1.00 20.80 ? 92 SER A HG 1 ATOM 855 N N . ASN A 1 93 ? 19.754 6.063 15.474 1.00 6.89 ? 93 ASN A N 1 ATOM 856 C CA . ASN A 1 93 ? 20.196 6.772 14.279 1.00 5.30 ? 93 ASN A CA 1 ATOM 857 C C . ASN A 1 93 ? 20.924 5.820 13.317 1.00 5.17 ? 93 ASN A C 1 ATOM 858 O O . ASN A 1 93 ? 21.076 4.636 13.619 1.00 3.87 ? 93 ASN A O 1 ATOM 859 C CB . ASN A 1 93 ? 21.086 7.957 14.717 1.00 3.93 ? 93 ASN A CB 1 ATOM 860 C CG . ASN A 1 93 ? 22.365 7.505 15.412 1.00 4.42 ? 93 ASN A CG 1 ATOM 861 O OD1 . ASN A 1 93 ? 23.202 6.865 14.794 1.00 5.24 ? 93 ASN A OD1 1 ATOM 862 N ND2 . ASN A 1 93 ? 22.508 7.818 16.698 1.00 3.00 ? 93 ASN A ND2 1 ATOM 863 H H . ASN A 1 93 ? 20.309 5.332 15.841 1.00 6.89 ? 93 ASN A H 1 ATOM 864 H HD21 . ASN A 1 93 ? 23.343 7.592 17.169 1.00 3.00 ? 93 ASN A HD21 1 ATOM 865 H HD22 . ASN A 1 93 ? 21.777 8.291 17.144 1.00 3.00 ? 93 ASN A HD22 1 ATOM 866 N N . PRO A 1 94 ? 21.375 6.310 12.147 1.00 4.13 ? 94 PRO A N 1 ATOM 867 C CA . PRO A 1 94 ? 22.063 5.401 11.224 1.00 3.87 ? 94 PRO A CA 1 ATOM 868 C C . PRO A 1 94 ? 23.299 4.678 11.765 1.00 4.51 ? 94 PRO A C 1 ATOM 869 O O . PRO A 1 94 ? 23.695 3.658 11.210 1.00 3.64 ? 94 PRO A O 1 ATOM 870 C CB . PRO A 1 94 ? 22.384 6.295 10.029 1.00 4.45 ? 94 PRO A CB 1 ATOM 871 C CG . PRO A 1 94 ? 21.222 7.245 10.018 1.00 5.36 ? 94 PRO A CG 1 ATOM 872 C CD . PRO A 1 94 ? 21.140 7.612 11.498 1.00 5.83 ? 94 PRO A CD 1 ATOM 873 N N . SER A 1 95 ? 23.921 5.196 12.821 1.00 3.96 ? 95 SER A N 1 ATOM 874 C CA . SER A 1 95 ? 25.083 4.525 13.419 1.00 4.10 ? 95 SER A CA 1 ATOM 875 C C . SER A 1 95 ? 24.668 3.437 14.433 1.00 5.68 ? 95 SER A C 1 ATOM 876 O O . SER A 1 95 ? 25.490 2.609 14.822 1.00 6.35 ? 95 SER A O 1 ATOM 877 C CB . SER A 1 95 ? 26.022 5.528 14.104 1.00 3.58 ? 95 SER A CB 1 ATOM 878 O OG . SER A 1 95 ? 26.745 6.302 13.168 1.00 4.60 ? 95 SER A OG 1 ATOM 879 H H . SER A 1 95 ? 23.627 6.047 13.207 1.00 3.96 ? 95 SER A H 1 ATOM 880 H HG . SER A 1 95 ? 26.125 6.975 12.915 1.00 4.60 ? 95 SER A HG 1 ATOM 881 N N . GLY A 1 96 ? 23.406 3.447 14.865 1.00 4.55 ? 96 GLY A N 1 ATOM 882 C CA . GLY A 1 96 ? 22.935 2.457 15.816 1.00 4.91 ? 96 GLY A CA 1 ATOM 883 C C . GLY A 1 96 ? 22.141 3.080 16.947 1.00 6.46 ? 96 GLY A C 1 ATOM 884 O O . GLY A 1 96 ? 21.687 4.226 16.842 1.00 5.89 ? 96 GLY A O 1 ATOM 885 H H . GLY A 1 96 ? 22.766 4.136 14.580 1.00 4.55 ? 96 GLY A H 1 ATOM 886 N N . ASP A 1 97 ? 21.939 2.307 18.011 1.00 8.00 ? 97 ASP A N 1 ATOM 887 C CA . ASP A 1 97 ? 21.221 2.758 19.208 1.00 8.16 ? 97 ASP A CA 1 ATOM 888 C C . ASP A 1 97 ? 22.272 3.050 20.267 1.00 6.44 ? 97 ASP A C 1 ATOM 889 O O . ASP A 1 97 ? 23.462 2.830 20.042 1.00 5.60 ? 97 ASP A O 1 ATOM 890 C CB . ASP A 1 97 ? 20.314 1.651 19.762 1.00 15.51 ? 97 ASP A CB 1 ATOM 891 C CG . ASP A 1 97 ? 19.095 1.382 18.894 1.00 25.46 ? 97 ASP A CG 1 ATOM 892 O OD1 . ASP A 1 97 ? 18.719 2.238 18.061 1.00 27.80 ? 97 ASP A OD1 1 ATOM 893 O OD2 . ASP A 1 97 ? 18.489 0.297 19.061 1.00 32.01 ? 97 ASP A OD2 1 ATOM 894 H H . ASP A 1 97 ? 22.297 1.396 18.015 1.00 8.00 ? 97 ASP A H 1 ATOM 895 N N . LEU A 1 98 ? 21.823 3.431 21.452 1.00 4.88 ? 98 LEU A N 1 ATOM 896 C CA . LEU A 1 98 ? 22.718 3.732 22.561 1.00 5.86 ? 98 LEU A CA 1 ATOM 897 C C . LEU A 1 98 ? 23.813 2.683 22.803 1.00 6.30 ? 98 LEU A C 1 ATOM 898 O O . LEU A 1 98 ? 25.001 3.014 22.926 1.00 6.59 ? 98 LEU A O 1 ATOM 899 C CB . LEU A 1 98 ? 21.899 3.915 23.843 1.00 6.41 ? 98 LEU A CB 1 ATOM 900 C CG . LEU A 1 98 ? 22.680 4.005 25.159 1.00 11.59 ? 98 LEU A CG 1 ATOM 901 C CD1 . LEU A 1 98 ? 23.536 5.259 25.214 1.00 11.56 ? 98 LEU A CD1 1 ATOM 902 C CD2 . LEU A 1 98 ? 21.721 3.986 26.323 1.00 14.87 ? 98 LEU A CD2 1 ATOM 903 H H . LEU A 1 98 ? 20.851 3.522 21.578 1.00 4.88 ? 98 LEU A H 1 ATOM 904 N N . SER A 1 99 ? 23.428 1.413 22.868 1.00 6.71 ? 99 SER A N 1 ATOM 905 C CA . SER A 1 99 ? 24.405 0.370 23.139 1.00 8.53 ? 99 SER A CA 1 ATOM 906 C C . SER A 1 99 ? 24.910 -0.367 21.914 1.00 7.52 ? 99 SER A C 1 ATOM 907 O O . SER A 1 99 ? 25.699 -1.295 22.049 1.00 9.16 ? 99 SER A O 1 ATOM 908 C CB . SER A 1 99 ? 23.825 -0.643 24.118 1.00 9.23 ? 99 SER A CB 1 ATOM 909 O OG . SER A 1 99 ? 22.763 -1.357 23.511 1.00 14.04 ? 99 SER A OG 1 ATOM 910 H H . SER A 1 99 ? 22.483 1.185 22.756 1.00 6.71 ? 99 SER A H 1 ATOM 911 H HG . SER A 1 99 ? 21.981 -0.769 23.420 1.00 14.04 ? 99 SER A HG 1 ATOM 912 N N . SER A 1 100 ? 24.504 0.059 20.729 1.00 5.72 ? 100 SER A N 1 ATOM 913 C CA . SER A 1 100 ? 24.930 -0.646 19.535 1.00 7.22 ? 100 SER A CA 1 ATOM 914 C C . SER A 1 100 ? 25.667 0.195 18.507 1.00 7.09 ? 100 SER A C 1 ATOM 915 O O . SER A 1 100 ? 25.666 -0.140 17.319 1.00 8.57 ? 100 SER A O 1 ATOM 916 C CB . SER A 1 100 ? 23.734 -1.347 18.899 1.00 7.58 ? 100 SER A CB 1 ATOM 917 O OG . SER A 1 100 ? 22.689 -0.432 18.644 1.00 9.39 ? 100 SER A OG 1 ATOM 918 H H . SER A 1 100 ? 23.935 0.846 20.632 1.00 5.72 ? 100 SER A H 1 ATOM 919 H HG . SER A 1 100 ? 21.959 -0.986 18.341 1.00 9.39 ? 100 SER A HG 1 ATOM 920 N N . GLY A 1 101 ? 26.275 1.288 18.963 1.00 6.42 ? 101 GLY A N 1 ATOM 921 C CA . GLY A 1 101 ? 27.047 2.159 18.086 1.00 6.16 ? 101 GLY A CA 1 ATOM 922 C C . GLY A 1 101 ? 26.490 3.545 17.788 1.00 6.92 ? 101 GLY A C 1 ATOM 923 O O . GLY A 1 101 ? 27.171 4.364 17.151 1.00 5.97 ? 101 GLY A O 1 ATOM 924 H H . GLY A 1 101 ? 26.252 1.527 19.919 1.00 6.42 ? 101 GLY A H 1 ATOM 925 N N . GLY A 1 102 ? 25.284 3.831 18.272 1.00 5.50 ? 103 GLY A N 1 ATOM 926 C CA . GLY A 1 102 ? 24.654 5.118 18.009 1.00 4.79 ? 103 GLY A CA 1 ATOM 927 C C . GLY A 1 102 ? 25.393 6.355 18.469 1.00 4.51 ? 103 GLY A C 1 ATOM 928 O O . GLY A 1 102 ? 25.198 7.433 17.905 1.00 3.40 ? 103 GLY A O 1 ATOM 929 H H . GLY A 1 102 ? 24.830 3.153 18.817 1.00 5.50 ? 103 GLY A H 1 ATOM 930 N N . LEU A 1 103 ? 26.237 6.195 19.485 1.00 3.00 ? 104 LEU A N 1 ATOM 931 C CA . LEU A 1 103 ? 27.008 7.292 20.041 1.00 3.00 ? 104 LEU A CA 1 ATOM 932 C C . LEU A 1 103 ? 28.064 7.852 19.081 1.00 3.94 ? 104 LEU A C 1 ATOM 933 O O . LEU A 1 103 ? 28.522 8.984 19.251 1.00 3.50 ? 104 LEU A O 1 ATOM 934 C CB . LEU A 1 103 ? 27.655 6.859 21.369 1.00 3.00 ? 104 LEU A CB 1 ATOM 935 C CG . LEU A 1 103 ? 26.689 6.372 22.456 1.00 4.51 ? 104 LEU A CG 1 ATOM 936 C CD1 . LEU A 1 103 ? 27.459 5.998 23.710 1.00 3.55 ? 104 LEU A CD1 1 ATOM 937 C CD2 . LEU A 1 103 ? 25.660 7.451 22.787 1.00 3.60 ? 104 LEU A CD2 1 ATOM 938 H H . LEU A 1 103 ? 26.306 5.303 19.878 1.00 3.00 ? 104 LEU A H 1 ATOM 939 N N . GLY A 1 104 ? 28.446 7.062 18.079 1.00 4.71 ? 105 GLY A N 1 ATOM 940 C CA . GLY A 1 104 ? 29.435 7.506 17.104 1.00 3.19 ? 105 GLY A CA 1 ATOM 941 C C . GLY A 1 104 ? 28.856 8.350 15.972 1.00 5.04 ? 105 GLY A C 1 ATOM 942 O O . GLY A 1 104 ? 29.599 8.836 15.114 1.00 5.02 ? 105 GLY A O 1 ATOM 943 H H . GLY A 1 104 ? 28.045 6.176 17.965 1.00 4.71 ? 105 GLY A H 1 ATOM 944 N N . GLU A 1 105 ? 27.544 8.588 15.998 1.00 3.48 ? 106 GLU A N 1 ATOM 945 C CA . GLU A 1 105 ? 26.870 9.385 14.967 1.00 3.00 ? 106 GLU A CA 1 ATOM 946 C C . GLU A 1 105 ? 27.415 10.818 14.962 1.00 3.77 ? 106 GLU A C 1 ATOM 947 O O . GLU A 1 105 ? 27.476 11.476 16.000 1.00 3.00 ? 106 GLU A O 1 ATOM 948 C CB . GLU A 1 105 ? 25.358 9.367 15.200 1.00 3.00 ? 106 GLU A CB 1 ATOM 949 C CG . GLU A 1 105 ? 24.534 10.125 14.174 1.00 5.13 ? 106 GLU A CG 1 ATOM 950 C CD . GLU A 1 105 ? 24.492 9.487 12.773 1.00 8.65 ? 106 GLU A CD 1 ATOM 951 O OE1 . GLU A 1 105 ? 25.121 8.435 12.534 1.00 5.85 ? 106 GLU A OE1 1 ATOM 952 O OE2 . GLU A 1 105 ? 23.811 10.056 11.893 1.00 7.63 ? 106 GLU A OE2 1 ATOM 953 H H . GLU A 1 105 ? 26.986 8.252 16.732 1.00 3.48 ? 106 GLU A H 1 ATOM 954 N N . PRO A 1 106 ? 27.849 11.309 13.797 1.00 3.27 ? 107 PRO A N 1 ATOM 955 C CA . PRO A 1 106 ? 28.410 12.654 13.641 1.00 3.58 ? 107 PRO A CA 1 ATOM 956 C C . PRO A 1 106 ? 27.505 13.845 13.949 1.00 4.42 ? 107 PRO A C 1 ATOM 957 O O . PRO A 1 106 ? 27.908 14.751 14.689 1.00 5.50 ? 107 PRO A O 1 ATOM 958 C CB . PRO A 1 106 ? 28.854 12.674 12.176 1.00 4.60 ? 107 PRO A CB 1 ATOM 959 C CG . PRO A 1 106 ? 29.084 11.230 11.855 1.00 3.00 ? 107 PRO A CG 1 ATOM 960 C CD . PRO A 1 106 ? 27.944 10.552 12.540 1.00 3.58 ? 107 PRO A CD 1 ATOM 961 N N . LYS A 1 107 ? 26.308 13.868 13.365 1.00 3.80 ? 108 LYS A N 1 ATOM 962 C CA . LYS A 1 107 ? 25.406 14.990 13.570 1.00 4.25 ? 108 LYS A CA 1 ATOM 963 C C . LYS A 1 107 ? 23.933 14.618 13.673 1.00 4.89 ? 108 LYS A C 1 ATOM 964 O O . LYS A 1 107 ? 23.516 13.512 13.285 1.00 3.00 ? 108 LYS A O 1 ATOM 965 C CB . LYS A 1 107 ? 25.594 16.031 12.460 1.00 5.87 ? 108 LYS A CB 1 ATOM 966 C CG . LYS A 1 107 ? 25.074 15.617 11.083 1.00 5.23 ? 108 LYS A CG 1 ATOM 967 C CD . LYS A 1 107 ? 25.260 16.725 10.059 1.00 6.83 ? 108 LYS A CD 1 ATOM 968 C CE . LYS A 1 107 ? 24.570 16.376 8.753 1.00 7.54 ? 108 LYS A CE 1 ATOM 969 N NZ . LYS A 1 107 ? 24.647 17.483 7.766 1.00 9.33 ? 108 LYS A NZ 1 ATOM 970 H H . LYS A 1 107 ? 26.009 13.114 12.804 1.00 3.80 ? 108 LYS A H 1 ATOM 971 H HZ1 . LYS A 1 107 ? 25.631 17.747 7.547 1.00 9.33 ? 108 LYS A HZ1 1 ATOM 972 H HZ2 . LYS A 1 107 ? 24.159 17.257 6.866 1.00 9.33 ? 108 LYS A HZ2 1 ATOM 973 H HZ3 . LYS A 1 107 ? 24.204 18.333 8.159 1.00 9.33 ? 108 LYS A HZ3 1 ATOM 974 N N . PHE A 1 108 ? 23.152 15.554 14.203 1.00 3.00 ? 109 PHE A N 1 ATOM 975 C CA . PHE A 1 108 ? 21.721 15.371 14.375 1.00 3.04 ? 109 PHE A CA 1 ATOM 976 C C . PHE A 1 108 ? 21.029 16.653 13.955 1.00 4.21 ? 109 PHE A C 1 ATOM 977 O O . PHE A 1 108 ? 21.677 17.684 13.780 1.00 6.25 ? 109 PHE A O 1 ATOM 978 C CB . PHE A 1 108 ? 21.408 15.117 15.852 1.00 3.00 ? 109 PHE A CB 1 ATOM 979 C CG . PHE A 1 108 ? 22.047 13.874 16.404 1.00 5.21 ? 109 PHE A CG 1 ATOM 980 C CD1 . PHE A 1 108 ? 23.350 13.900 16.894 1.00 4.64 ? 109 PHE A CD1 1 ATOM 981 C CD2 . PHE A 1 108 ? 21.344 12.672 16.429 1.00 6.19 ? 109 PHE A CD2 1 ATOM 982 C CE1 . PHE A 1 108 ? 23.948 12.746 17.403 1.00 5.52 ? 109 PHE A CE1 1 ATOM 983 C CE2 . PHE A 1 108 ? 21.937 11.504 16.940 1.00 7.00 ? 109 PHE A CE2 1 ATOM 984 C CZ . PHE A 1 108 ? 23.238 11.546 17.424 1.00 4.49 ? 109 PHE A CZ 1 ATOM 985 H H . PHE A 1 108 ? 23.532 16.408 14.490 1.00 3.00 ? 109 PHE A H 1 ATOM 986 N N . ASN A 1 109 ? 19.710 16.587 13.791 1.00 5.30 ? 110 ASN A N 1 ATOM 987 C CA . ASN A 1 109 ? 18.913 17.760 13.461 1.00 5.94 ? 110 ASN A CA 1 ATOM 988 C C . ASN A 1 109 ? 18.789 18.572 14.751 1.00 5.37 ? 110 ASN A C 1 ATOM 989 O O . ASN A 1 109 ? 18.851 18.020 15.855 1.00 3.88 ? 110 ASN A O 1 ATOM 990 C CB . ASN A 1 109 ? 17.538 17.338 12.930 1.00 5.57 ? 110 ASN A CB 1 ATOM 991 C CG . ASN A 1 109 ? 17.622 16.767 11.540 1.00 6.10 ? 110 ASN A CG 1 ATOM 992 O OD1 . ASN A 1 109 ? 18.158 17.412 10.649 1.00 10.60 ? 110 ASN A OD1 1 ATOM 993 N ND2 . ASN A 1 109 ? 17.138 15.539 11.351 1.00 6.52 ? 110 ASN A ND2 1 ATOM 994 H H . ASN A 1 109 ? 19.270 15.723 13.937 1.00 5.30 ? 110 ASN A H 1 ATOM 995 H HD21 . ASN A 1 109 ? 17.186 15.149 10.448 1.00 6.52 ? 110 ASN A HD21 1 ATOM 996 H HD22 . ASN A 1 109 ? 16.746 15.065 12.116 1.00 6.52 ? 110 ASN A HD22 1 ATOM 997 N N . VAL A 1 110 ? 18.633 19.882 14.619 1.00 7.05 ? 111 VAL A N 1 ATOM 998 C CA . VAL A 1 110 ? 18.550 20.767 15.787 1.00 6.79 ? 111 VAL A CA 1 ATOM 999 C C . VAL A 1 110 ? 17.363 20.500 16.727 1.00 6.90 ? 111 VAL A C 1 ATOM 1000 O O . VAL A 1 110 ? 17.368 20.939 17.871 1.00 6.20 ? 111 VAL A O 1 ATOM 1001 C CB . VAL A 1 110 ? 18.617 22.260 15.369 1.00 6.48 ? 111 VAL A CB 1 ATOM 1002 C CG1 . VAL A 1 110 ? 19.878 22.504 14.530 1.00 4.98 ? 111 VAL A CG1 1 ATOM 1003 C CG2 . VAL A 1 110 ? 17.376 22.662 14.579 1.00 5.17 ? 111 VAL A CG2 1 ATOM 1004 H H . VAL A 1 110 ? 18.545 20.244 13.710 1.00 7.05 ? 111 VAL A H 1 ATOM 1005 N N . ASP A 1 111 ? 16.373 19.753 16.247 1.00 5.52 ? 112 ASP A N 1 ATOM 1006 C CA . ASP A 1 111 ? 15.195 19.397 17.033 1.00 6.33 ? 112 ASP A CA 1 ATOM 1007 C C . ASP A 1 111 ? 15.385 18.053 17.764 1.00 6.69 ? 112 ASP A C 1 ATOM 1008 O O . ASP A 1 111 ? 14.439 17.507 18.344 1.00 6.60 ? 112 ASP A O 1 ATOM 1009 C CB . ASP A 1 111 ? 13.939 19.363 16.139 1.00 6.55 ? 112 ASP A CB 1 ATOM 1010 C CG . ASP A 1 111 ? 14.047 18.363 14.987 1.00 10.55 ? 112 ASP A CG 1 ATOM 1011 O OD1 . ASP A 1 111 ? 15.029 17.598 14.911 1.00 8.19 ? 112 ASP A OD1 1 ATOM 1012 O OD2 . ASP A 1 111 ? 13.131 18.335 14.143 1.00 12.22 ? 112 ASP A OD2 1 ATOM 1013 H H . ASP A 1 111 ? 16.398 19.446 15.319 1.00 5.52 ? 112 ASP A H 1 ATOM 1014 N N . GLU A 1 112 ? 16.617 17.539 17.713 1.00 5.35 ? 113 GLU A N 1 ATOM 1015 C CA . GLU A 1 112 ? 17.030 16.285 18.347 1.00 7.39 ? 113 GLU A CA 1 ATOM 1016 C C . GLU A 1 112 ? 16.615 14.996 17.647 1.00 7.24 ? 113 GLU A C 1 ATOM 1017 O O . GLU A 1 112 ? 16.641 13.921 18.239 1.00 9.62 ? 113 GLU A O 1 ATOM 1018 C CB . GLU A 1 112 ? 16.674 16.272 19.837 1.00 5.92 ? 113 GLU A CB 1 ATOM 1019 C CG . GLU A 1 112 ? 17.277 17.481 20.569 1.00 8.05 ? 113 GLU A CG 1 ATOM 1020 C CD . GLU A 1 112 ? 17.020 17.502 22.069 1.00 10.29 ? 113 GLU A CD 1 ATOM 1021 O OE1 . GLU A 1 112 ? 16.402 16.561 22.602 1.00 16.59 ? 113 GLU A OE1 1 ATOM 1022 O OE2 . GLU A 1 112 ? 17.449 18.471 22.730 1.00 9.76 ? 113 GLU A OE2 1 ATOM 1023 H H . GLU A 1 112 ? 17.310 18.036 17.233 1.00 5.35 ? 113 GLU A H 1 ATOM 1024 N N . THR A 1 113 ? 16.225 15.102 16.384 1.00 5.46 ? 114 THR A N 1 ATOM 1025 C CA . THR A 1 113 ? 15.874 13.908 15.622 1.00 6.70 ? 114 THR A CA 1 ATOM 1026 C C . THR A 1 113 ? 17.132 13.495 14.851 1.00 7.19 ? 114 THR A C 1 ATOM 1027 O O . THR A 1 113 ? 18.055 14.297 14.644 1.00 6.57 ? 114 THR A O 1 ATOM 1028 C CB . THR A 1 113 ? 14.717 14.157 14.622 1.00 5.84 ? 114 THR A CB 1 ATOM 1029 O OG1 . THR A 1 113 ? 15.100 15.166 13.676 1.00 5.26 ? 114 THR A OG1 1 ATOM 1030 C CG2 . THR A 1 113 ? 13.440 14.600 15.367 1.00 6.48 ? 114 THR A CG2 1 ATOM 1031 H H . THR A 1 113 ? 16.193 15.978 15.958 1.00 5.46 ? 114 THR A H 1 ATOM 1032 H HG1 . THR A 1 113 ? 15.307 15.949 14.172 1.00 5.26 ? 114 THR A HG1 1 ATOM 1033 N N . ALA A 1 114 ? 17.181 12.244 14.437 1.00 7.11 ? 115 ALA A N 1 ATOM 1034 C CA . ALA A 1 114 ? 18.321 11.739 13.702 1.00 6.97 ? 115 ALA A CA 1 ATOM 1035 C C . ALA A 1 114 ? 18.404 12.310 12.289 1.00 8.29 ? 115 ALA A C 1 ATOM 1036 O O . ALA A 1 114 ? 17.404 12.684 11.687 1.00 8.29 ? 115 ALA A O 1 ATOM 1037 C CB . ALA A 1 114 ? 18.229 10.218 13.627 1.00 4.76 ? 115 ALA A CB 1 ATOM 1038 H H . ALA A 1 114 ? 16.413 11.649 14.606 1.00 7.11 ? 115 ALA A H 1 ATOM 1039 N N . TYR A 1 115 ? 19.620 12.432 11.790 1.00 9.10 ? 116 TYR A N 1 ATOM 1040 C CA . TYR A 1 115 ? 19.845 12.866 10.430 1.00 9.17 ? 116 TYR A CA 1 ATOM 1041 C C . TYR A 1 115 ? 19.996 11.522 9.726 1.00 10.66 ? 116 TYR A C 1 ATOM 1042 O O . TYR A 1 115 ? 20.919 10.759 10.026 1.00 9.40 ? 116 TYR A O 1 ATOM 1043 C CB . TYR A 1 115 ? 21.151 13.639 10.326 1.00 9.31 ? 116 TYR A CB 1 ATOM 1044 C CG . TYR A 1 115 ? 21.471 13.978 8.906 1.00 11.41 ? 116 TYR A CG 1 ATOM 1045 C CD1 . TYR A 1 115 ? 20.748 14.955 8.238 1.00 13.20 ? 116 TYR A CD1 1 ATOM 1046 C CD2 . TYR A 1 115 ? 22.467 13.296 8.207 1.00 11.23 ? 116 TYR A CD2 1 ATOM 1047 C CE1 . TYR A 1 115 ? 20.998 15.249 6.911 1.00 15.13 ? 116 TYR A CE1 1 ATOM 1048 C CE2 . TYR A 1 115 ? 22.734 13.583 6.871 1.00 13.80 ? 116 TYR A CE2 1 ATOM 1049 C CZ . TYR A 1 115 ? 21.993 14.567 6.232 1.00 16.05 ? 116 TYR A CZ 1 ATOM 1050 O OH . TYR A 1 115 ? 22.253 14.914 4.929 1.00 20.21 ? 116 TYR A OH 1 ATOM 1051 H H . TYR A 1 115 ? 20.385 12.215 12.349 1.00 9.10 ? 116 TYR A H 1 ATOM 1052 H HH . TYR A 1 115 ? 22.828 14.281 4.478 1.00 20.21 ? 116 TYR A HH 1 ATOM 1053 N N . THR A 1 116 ? 19.118 11.228 8.777 1.00 9.98 ? 117 THR A N 1 ATOM 1054 C CA . THR A 1 116 ? 19.158 9.928 8.113 1.00 11.18 ? 117 THR A CA 1 ATOM 1055 C C . THR A 1 116 ? 19.816 9.807 6.740 1.00 10.52 ? 117 THR A C 1 ATOM 1056 O O . THR A 1 116 ? 19.864 8.713 6.189 1.00 11.76 ? 117 THR A O 1 ATOM 1057 C CB . THR A 1 116 ? 17.744 9.351 8.005 1.00 10.88 ? 117 THR A CB 1 ATOM 1058 O OG1 . THR A 1 116 ? 16.925 10.266 7.269 1.00 13.64 ? 117 THR A OG1 1 ATOM 1059 C CG2 . THR A 1 116 ? 17.144 9.156 9.386 1.00 11.49 ? 117 THR A CG2 1 ATOM 1060 H H . THR A 1 116 ? 18.403 11.855 8.531 1.00 9.98 ? 117 THR A H 1 ATOM 1061 H HG1 . THR A 1 116 ? 17.099 10.176 6.320 1.00 13.64 ? 117 THR A HG1 1 ATOM 1062 N N . GLY A 1 117 ? 20.311 10.908 6.184 1.00 10.42 ? 118 GLY A N 1 ATOM 1063 C CA . GLY A 1 117 ? 20.939 10.844 4.879 1.00 7.53 ? 118 GLY A CA 1 ATOM 1064 C C . GLY A 1 117 ? 22.351 10.305 4.965 1.00 9.64 ? 118 GLY A C 1 ATOM 1065 O O . GLY A 1 117 ? 22.861 10.034 6.064 1.00 10.76 ? 118 GLY A O 1 ATOM 1066 H H . GLY A 1 117 ? 20.261 11.755 6.667 1.00 10.42 ? 118 GLY A H 1 ATOM 1067 N N A SER A 1 118 ? 22.994 10.162 3.814 0.40 8.75 ? 119 SER A N 1 ATOM 1068 N N B SER A 1 118 ? 22.989 10.127 3.813 0.60 8.66 ? 119 SER A N 1 ATOM 1069 C CA A SER A 1 118 ? 24.360 9.666 3.760 0.40 9.22 ? 119 SER A CA 1 ATOM 1070 C CA B SER A 1 118 ? 24.357 9.625 3.782 0.60 9.62 ? 119 SER A CA 1 ATOM 1071 C C A SER A 1 118 ? 25.292 10.683 4.408 0.40 8.99 ? 119 SER A C 1 ATOM 1072 C C B SER A 1 118 ? 25.294 10.666 4.394 0.60 9.50 ? 119 SER A C 1 ATOM 1073 O O A SER A 1 118 ? 25.092 11.894 4.280 0.40 8.21 ? 119 SER A O 1 ATOM 1074 O O B SER A 1 118 ? 25.102 11.873 4.220 0.60 8.44 ? 119 SER A O 1 ATOM 1075 C CB A SER A 1 118 ? 24.764 9.445 2.306 0.40 9.35 ? 119 SER A CB 1 ATOM 1076 C CB B SER A 1 118 ? 24.777 9.300 2.346 0.60 10.02 ? 119 SER A CB 1 ATOM 1077 O OG A SER A 1 118 ? 24.463 10.595 1.538 0.40 9.79 ? 119 SER A OG 1 ATOM 1078 O OG B SER A 1 118 ? 23.984 8.252 1.803 0.60 10.67 ? 119 SER A OG 1 ATOM 1079 H H A SER A 1 118 ? 22.570 10.410 2.961 0.40 8.75 ? 119 SER A H 1 ATOM 1080 H H B SER A 1 118 ? 22.541 10.318 2.957 0.60 8.66 ? 119 SER A H 1 ATOM 1081 H HG A SER A 1 118 ? 24.672 10.430 0.599 0.40 9.79 ? 119 SER A HG 1 ATOM 1082 H HG B SER A 1 118 ? 23.975 7.526 2.434 0.60 10.67 ? 119 SER A HG 1 ATOM 1083 N N . TRP A 1 119 ? 26.310 10.195 5.107 1.00 7.84 ? 120 TRP A N 1 ATOM 1084 C CA . TRP A 1 119 ? 27.257 11.075 5.754 1.00 6.17 ? 120 TRP A CA 1 ATOM 1085 C C . TRP A 1 119 ? 28.431 10.213 6.106 1.00 7.54 ? 120 TRP A C 1 ATOM 1086 O O . TRP A 1 119 ? 28.293 8.982 6.159 1.00 6.78 ? 120 TRP A O 1 ATOM 1087 C CB . TRP A 1 119 ? 26.653 11.649 7.039 1.00 6.38 ? 120 TRP A CB 1 ATOM 1088 C CG . TRP A 1 119 ? 27.306 12.920 7.473 1.00 5.37 ? 120 TRP A CG 1 ATOM 1089 C CD1 . TRP A 1 119 ? 28.164 13.088 8.519 1.00 6.37 ? 120 TRP A CD1 1 ATOM 1090 C CD2 . TRP A 1 119 ? 27.184 14.195 6.843 1.00 5.22 ? 120 TRP A CD2 1 ATOM 1091 N NE1 . TRP A 1 119 ? 28.584 14.391 8.586 1.00 6.00 ? 120 TRP A NE1 1 ATOM 1092 C CE2 . TRP A 1 119 ? 28.000 15.096 7.565 1.00 7.63 ? 120 TRP A CE2 1 ATOM 1093 C CE3 . TRP A 1 119 ? 26.462 14.671 5.741 1.00 6.28 ? 120 TRP A CE3 1 ATOM 1094 C CZ2 . TRP A 1 119 ? 28.123 16.439 7.216 1.00 6.31 ? 120 TRP A CZ2 1 ATOM 1095 C CZ3 . TRP A 1 119 ? 26.584 16.015 5.392 1.00 9.18 ? 120 TRP A CZ3 1 ATOM 1096 C CH2 . TRP A 1 119 ? 27.410 16.883 6.132 1.00 7.75 ? 120 TRP A CH2 1 ATOM 1097 H H . TRP A 1 119 ? 26.439 9.226 5.182 1.00 7.84 ? 120 TRP A H 1 ATOM 1098 H HE1 . TRP A 1 119 ? 29.174 14.744 9.277 1.00 6.00 ? 120 TRP A HE1 1 ATOM 1099 N N . GLY A 1 120 ? 29.596 10.830 6.305 1.00 7.08 ? 121 GLY A N 1 ATOM 1100 C CA . GLY A 1 120 ? 30.770 10.061 6.680 1.00 5.14 ? 121 GLY A CA 1 ATOM 1101 C C . GLY A 1 120 ? 30.620 9.639 8.124 1.00 5.67 ? 121 GLY A C 1 ATOM 1102 O O . GLY A 1 120 ? 30.977 10.389 9.027 1.00 5.73 ? 121 GLY A O 1 ATOM 1103 H H . GLY A 1 120 ? 29.689 11.811 6.199 1.00 7.08 ? 121 GLY A H 1 ATOM 1104 N N . ARG A 1 121 ? 30.110 8.433 8.357 1.00 6.00 ? 122 ARG A N 1 ATOM 1105 C CA . ARG A 1 121 ? 29.905 7.948 9.722 1.00 4.57 ? 122 ARG A CA 1 ATOM 1106 C C . ARG A 1 121 ? 30.508 6.567 9.877 1.00 4.56 ? 122 ARG A C 1 ATOM 1107 O O . ARG A 1 121 ? 30.652 5.849 8.891 1.00 4.57 ? 122 ARG A O 1 ATOM 1108 C CB . ARG A 1 121 ? 28.402 7.880 10.034 1.00 4.39 ? 122 ARG A CB 1 ATOM 1109 C CG . ARG A 1 121 ? 27.577 7.144 8.990 1.00 5.89 ? 122 ARG A CG 1 ATOM 1110 C CD . ARG A 1 121 ? 26.152 6.862 9.466 1.00 4.77 ? 122 ARG A CD 1 ATOM 1111 N NE . ARG A 1 121 ? 25.344 8.069 9.681 1.00 5.79 ? 122 ARG A NE 1 ATOM 1112 C CZ . ARG A 1 121 ? 24.616 8.675 8.745 1.00 7.50 ? 122 ARG A CZ 1 ATOM 1113 N NH1 . ARG A 1 121 ? 24.641 8.245 7.482 1.00 7.44 ? 122 ARG A NH1 1 ATOM 1114 N NH2 . ARG A 1 121 ? 23.895 9.746 9.063 1.00 6.36 ? 122 ARG A NH2 1 ATOM 1115 H H . ARG A 1 121 ? 29.866 7.865 7.597 1.00 6.00 ? 122 ARG A H 1 ATOM 1116 H HE . ARG A 1 121 ? 25.341 8.469 10.571 1.00 5.79 ? 122 ARG A HE 1 ATOM 1117 H HH11 . ARG A 1 121 ? 25.187 7.451 7.196 1.00 7.44 ? 122 ARG A HH11 1 ATOM 1118 H HH12 . ARG A 1 121 ? 24.058 8.694 6.797 1.00 7.44 ? 122 ARG A HH12 1 ATOM 1119 H HH21 . ARG A 1 121 ? 23.901 10.096 10.004 1.00 6.36 ? 122 ARG A HH21 1 ATOM 1120 H HH22 . ARG A 1 121 ? 23.331 10.207 8.374 1.00 6.36 ? 122 ARG A HH22 1 ATOM 1121 N N . PRO A 1 122 ? 30.910 6.191 11.109 1.00 5.61 ? 123 PRO A N 1 ATOM 1122 C CA . PRO A 1 122 ? 30.806 7.031 12.312 1.00 3.98 ? 123 PRO A CA 1 ATOM 1123 C C . PRO A 1 122 ? 32.049 7.921 12.459 1.00 4.94 ? 123 PRO A C 1 ATOM 1124 O O . PRO A 1 122 ? 33.001 7.812 11.683 1.00 4.48 ? 123 PRO A O 1 ATOM 1125 C CB . PRO A 1 122 ? 30.762 5.992 13.427 1.00 4.62 ? 123 PRO A CB 1 ATOM 1126 C CG . PRO A 1 122 ? 31.730 4.960 12.934 1.00 4.64 ? 123 PRO A CG 1 ATOM 1127 C CD . PRO A 1 122 ? 31.415 4.842 11.444 1.00 4.03 ? 123 PRO A CD 1 ATOM 1128 N N . GLN A 1 123 ? 32.028 8.805 13.446 1.00 4.84 ? 124 GLN A N 1 ATOM 1129 C CA . GLN A 1 123 ? 33.160 9.680 13.737 1.00 3.72 ? 124 GLN A CA 1 ATOM 1130 C C . GLN A 1 123 ? 33.373 9.435 15.216 1.00 3.98 ? 124 GLN A C 1 ATOM 1131 O O . GLN A 1 123 ? 32.624 9.925 16.063 1.00 3.83 ? 124 GLN A O 1 ATOM 1132 C CB . GLN A 1 123 ? 32.819 11.139 13.424 1.00 3.68 ? 124 GLN A CB 1 ATOM 1133 C CG . GLN A 1 123 ? 32.922 11.409 11.930 1.00 4.21 ? 124 GLN A CG 1 ATOM 1134 C CD . GLN A 1 123 ? 32.399 12.768 11.517 1.00 3.39 ? 124 GLN A CD 1 ATOM 1135 O OE1 . GLN A 1 123 ? 32.516 13.760 12.254 1.00 4.10 ? 124 GLN A OE1 1 ATOM 1136 N NE2 . GLN A 1 123 ? 31.811 12.823 10.331 1.00 3.00 ? 124 GLN A NE2 1 ATOM 1137 H H . GLN A 1 123 ? 31.234 8.869 14.023 1.00 4.84 ? 124 GLN A H 1 ATOM 1138 H HE21 . GLN A 1 123 ? 31.465 13.685 10.026 1.00 3.00 ? 124 GLN A HE21 1 ATOM 1139 H HE22 . GLN A 1 123 ? 31.734 12.008 9.784 1.00 3.00 ? 124 GLN A HE22 1 ATOM 1140 N N . ARG A 1 124 ? 34.391 8.647 15.522 1.00 5.01 ? 125 ARG A N 1 ATOM 1141 C CA . ARG A 1 124 ? 34.644 8.237 16.897 1.00 3.42 ? 125 ARG A CA 1 ATOM 1142 C C . ARG A 1 124 ? 35.261 9.243 17.859 1.00 3.00 ? 125 ARG A C 1 ATOM 1143 O O . ARG A 1 124 ? 35.448 8.940 19.037 1.00 3.00 ? 125 ARG A O 1 ATOM 1144 C CB . ARG A 1 124 ? 35.399 6.906 16.891 1.00 3.08 ? 125 ARG A CB 1 ATOM 1145 C CG . ARG A 1 124 ? 34.747 5.868 15.957 1.00 4.90 ? 125 ARG A CG 1 ATOM 1146 C CD . ARG A 1 124 ? 35.326 4.481 16.165 1.00 3.00 ? 125 ARG A CD 1 ATOM 1147 N NE . ARG A 1 124 ? 35.129 3.585 15.023 1.00 3.74 ? 125 ARG A NE 1 ATOM 1148 C CZ . ARG A 1 124 ? 34.059 2.814 14.839 1.00 3.89 ? 125 ARG A CZ 1 ATOM 1149 N NH1 . ARG A 1 124 ? 33.060 2.826 15.706 1.00 3.00 ? 125 ARG A NH1 1 ATOM 1150 N NH2 . ARG A 1 124 ? 34.012 2.001 13.797 1.00 5.00 ? 125 ARG A NH2 1 ATOM 1151 H H . ARG A 1 124 ? 35.002 8.344 14.809 1.00 5.01 ? 125 ARG A H 1 ATOM 1152 H HE . ARG A 1 124 ? 35.847 3.575 14.350 1.00 3.74 ? 125 ARG A HE 1 ATOM 1153 H HH11 . ARG A 1 124 ? 33.084 3.430 16.505 1.00 3.00 ? 125 ARG A HH11 1 ATOM 1154 H HH12 . ARG A 1 124 ? 32.250 2.237 15.570 1.00 3.00 ? 125 ARG A HH12 1 ATOM 1155 H HH21 . ARG A 1 124 ? 34.776 1.996 13.145 1.00 5.00 ? 125 ARG A HH21 1 ATOM 1156 H HH22 . ARG A 1 124 ? 33.207 1.423 13.619 1.00 5.00 ? 125 ARG A HH22 1 ATOM 1157 N N . ASP A 1 125 ? 35.544 10.450 17.379 1.00 3.06 ? 126 ASP A N 1 ATOM 1158 C CA . ASP A 1 125 ? 36.094 11.497 18.241 1.00 3.58 ? 126 ASP A CA 1 ATOM 1159 C C . ASP A 1 125 ? 34.982 12.154 19.096 1.00 4.46 ? 126 ASP A C 1 ATOM 1160 O O . ASP A 1 125 ? 35.231 12.587 20.215 1.00 5.26 ? 126 ASP A O 1 ATOM 1161 C CB . ASP A 1 125 ? 36.804 12.569 17.405 1.00 3.68 ? 126 ASP A CB 1 ATOM 1162 C CG . ASP A 1 125 ? 35.861 13.286 16.411 1.00 6.77 ? 126 ASP A CG 1 ATOM 1163 O OD1 . ASP A 1 125 ? 35.121 12.606 15.675 1.00 5.32 ? 126 ASP A OD1 1 ATOM 1164 O OD2 . ASP A 1 125 ? 35.859 14.534 16.356 1.00 4.49 ? 126 ASP A OD2 1 ATOM 1165 H H . ASP A 1 125 ? 35.394 10.648 16.431 1.00 3.06 ? 126 ASP A H 1 ATOM 1166 N N . GLY A 1 126 ? 33.755 12.168 18.581 1.00 4.45 ? 127 GLY A N 1 ATOM 1167 C CA . GLY A 1 126 ? 32.627 12.790 19.272 1.00 3.14 ? 127 GLY A CA 1 ATOM 1168 C C . GLY A 1 126 ? 32.375 12.366 20.710 1.00 3.00 ? 127 GLY A C 1 ATOM 1169 O O . GLY A 1 126 ? 32.304 13.217 21.597 1.00 3.00 ? 127 GLY A O 1 ATOM 1170 H H . GLY A 1 126 ? 33.610 11.764 17.702 1.00 4.45 ? 127 GLY A H 1 ATOM 1171 N N . PRO A 1 127 ? 32.199 11.061 20.978 1.00 3.47 ? 128 PRO A N 1 ATOM 1172 C CA . PRO A 1 127 ? 31.957 10.576 22.347 1.00 3.94 ? 128 PRO A CA 1 ATOM 1173 C C . PRO A 1 127 ? 33.079 11.020 23.309 1.00 4.24 ? 128 PRO A C 1 ATOM 1174 O O . PRO A 1 127 ? 32.811 11.432 24.437 1.00 5.51 ? 128 PRO A O 1 ATOM 1175 C CB . PRO A 1 127 ? 31.907 9.051 22.162 1.00 3.00 ? 128 PRO A CB 1 ATOM 1176 C CG . PRO A 1 127 ? 31.294 8.929 20.788 1.00 4.16 ? 128 PRO A CG 1 ATOM 1177 C CD . PRO A 1 127 ? 32.069 9.964 19.998 1.00 4.02 ? 128 PRO A CD 1 ATOM 1178 N N . ALA A 1 128 ? 34.322 10.998 22.826 1.00 3.00 ? 129 ALA A N 1 ATOM 1179 C CA . ALA A 1 128 ? 35.491 11.407 23.607 1.00 3.00 ? 129 ALA A CA 1 ATOM 1180 C C . ALA A 1 128 ? 35.401 12.893 23.977 1.00 4.23 ? 129 ALA A C 1 ATOM 1181 O O . ALA A 1 128 ? 35.584 13.262 25.140 1.00 3.00 ? 129 ALA A O 1 ATOM 1182 C CB . ALA A 1 128 ? 36.776 11.141 22.812 1.00 3.00 ? 129 ALA A CB 1 ATOM 1183 H H . ALA A 1 128 ? 34.461 10.705 21.908 1.00 3.00 ? 129 ALA A H 1 ATOM 1184 N N . LEU A 1 129 ? 35.113 13.732 22.984 1.00 4.60 ? 130 LEU A N 1 ATOM 1185 C CA . LEU A 1 129 ? 34.983 15.177 23.176 1.00 3.03 ? 130 LEU A CA 1 ATOM 1186 C C . LEU A 1 129 ? 33.803 15.514 24.075 1.00 3.98 ? 130 LEU A C 1 ATOM 1187 O O . LEU A 1 129 ? 33.891 16.417 24.918 1.00 3.79 ? 130 LEU A O 1 ATOM 1188 C CB . LEU A 1 129 ? 34.832 15.892 21.828 1.00 3.00 ? 130 LEU A CB 1 ATOM 1189 C CG . LEU A 1 129 ? 36.058 15.826 20.913 1.00 4.46 ? 130 LEU A CG 1 ATOM 1190 C CD1 . LEU A 1 129 ? 35.744 16.494 19.583 1.00 5.61 ? 130 LEU A CD1 1 ATOM 1191 C CD2 . LEU A 1 129 ? 37.253 16.516 21.571 1.00 3.24 ? 130 LEU A CD2 1 ATOM 1192 H H . LEU A 1 129 ? 34.993 13.369 22.081 1.00 4.60 ? 130 LEU A H 1 ATOM 1193 N N . ARG A 1 130 ? 32.686 14.823 23.890 1.00 3.00 ? 131 ARG A N 1 ATOM 1194 C CA . ARG A 1 130 ? 31.536 15.082 24.743 1.00 3.00 ? 131 ARG A CA 1 ATOM 1195 C C . ARG A 1 130 ? 31.869 14.678 26.197 1.00 3.26 ? 131 ARG A C 1 ATOM 1196 O O . ARG A 1 130 ? 31.562 15.406 27.124 1.00 3.00 ? 131 ARG A O 1 ATOM 1197 C CB . ARG A 1 130 ? 30.302 14.340 24.227 1.00 3.23 ? 131 ARG A CB 1 ATOM 1198 C CG . ARG A 1 130 ? 29.082 14.521 25.112 1.00 3.30 ? 131 ARG A CG 1 ATOM 1199 C CD . ARG A 1 130 ? 27.812 14.031 24.429 1.00 3.00 ? 131 ARG A CD 1 ATOM 1200 N NE . ARG A 1 130 ? 27.914 12.649 23.975 1.00 4.41 ? 131 ARG A NE 1 ATOM 1201 C CZ . ARG A 1 130 ? 27.138 12.109 23.036 1.00 6.36 ? 131 ARG A CZ 1 ATOM 1202 N NH1 . ARG A 1 130 ? 26.195 12.838 22.447 1.00 3.97 ? 131 ARG A NH1 1 ATOM 1203 N NH2 . ARG A 1 130 ? 27.327 10.847 22.662 1.00 3.65 ? 131 ARG A NH2 1 ATOM 1204 H H . ARG A 1 130 ? 32.638 14.147 23.187 1.00 3.00 ? 131 ARG A H 1 ATOM 1205 H HE . ARG A 1 130 ? 28.614 12.094 24.370 1.00 4.41 ? 131 ARG A HE 1 ATOM 1206 H HH11 . ARG A 1 130 ? 26.041 13.808 22.670 1.00 3.97 ? 131 ARG A HH11 1 ATOM 1207 H HH12 . ARG A 1 130 ? 25.640 12.413 21.724 1.00 3.97 ? 131 ARG A HH12 1 ATOM 1208 H HH21 . ARG A 1 130 ? 28.048 10.284 23.064 1.00 3.65 ? 131 ARG A HH21 1 ATOM 1209 H HH22 . ARG A 1 130 ? 26.743 10.457 21.934 1.00 3.65 ? 131 ARG A HH22 1 ATOM 1210 N N . ALA A 1 131 ? 32.541 13.547 26.387 1.00 3.41 ? 132 ALA A N 1 ATOM 1211 C CA . ALA A 1 131 ? 32.920 13.096 27.733 1.00 5.25 ? 132 ALA A CA 1 ATOM 1212 C C . ALA A 1 131 ? 33.826 14.120 28.412 1.00 4.87 ? 132 ALA A C 1 ATOM 1213 O O . ALA A 1 131 ? 33.641 14.456 29.586 1.00 5.40 ? 132 ALA A O 1 ATOM 1214 C CB . ALA A 1 131 ? 33.615 11.749 27.664 1.00 4.43 ? 132 ALA A CB 1 ATOM 1215 H H . ALA A 1 131 ? 32.784 12.991 25.618 1.00 3.41 ? 132 ALA A H 1 ATOM 1216 N N . THR A 1 132 ? 34.793 14.629 27.668 1.00 3.36 ? 133 THR A N 1 ATOM 1217 C CA . THR A 1 132 ? 35.722 15.623 28.189 1.00 3.64 ? 133 THR A CA 1 ATOM 1218 C C . THR A 1 132 ? 35.012 16.923 28.604 1.00 5.29 ? 133 THR A C 1 ATOM 1219 O O . THR A 1 132 ? 35.304 17.488 29.662 1.00 6.27 ? 133 THR A O 1 ATOM 1220 C CB . THR A 1 132 ? 36.840 15.880 27.158 1.00 4.51 ? 133 THR A CB 1 ATOM 1221 O OG1 . THR A 1 132 ? 37.742 14.767 27.158 1.00 3.00 ? 133 THR A OG1 1 ATOM 1222 C CG2 . THR A 1 132 ? 37.593 17.155 27.456 1.00 3.00 ? 133 THR A CG2 1 ATOM 1223 H H . THR A 1 132 ? 34.913 14.310 26.754 1.00 3.36 ? 133 THR A H 1 ATOM 1224 H HG1 . THR A 1 132 ? 38.042 14.595 28.051 1.00 3.00 ? 133 THR A HG1 1 ATOM 1225 N N . ALA A 1 133 ? 34.025 17.356 27.825 1.00 3.97 ? 134 ALA A N 1 ATOM 1226 C CA . ALA A 1 133 ? 33.285 18.574 28.157 1.00 4.58 ? 134 ALA A CA 1 ATOM 1227 C C . ALA A 1 133 ? 32.480 18.384 29.443 1.00 5.39 ? 134 ALA A C 1 ATOM 1228 O O . ALA A 1 133 ? 32.454 19.259 30.311 1.00 6.57 ? 134 ALA A O 1 ATOM 1229 C CB . ALA A 1 133 ? 32.356 18.970 27.006 1.00 3.00 ? 134 ALA A CB 1 ATOM 1230 H H . ALA A 1 133 ? 33.784 16.854 27.019 1.00 3.97 ? 134 ALA A H 1 ATOM 1231 N N . MET A 1 134 ? 31.836 17.228 29.568 1.00 3.97 ? 135 MET A N 1 ATOM 1232 C CA . MET A 1 134 ? 31.026 16.935 30.742 1.00 4.40 ? 135 MET A CA 1 ATOM 1233 C C . MET A 1 134 ? 31.838 16.718 31.998 1.00 4.30 ? 135 MET A C 1 ATOM 1234 O O . MET A 1 134 ? 31.424 17.161 33.067 1.00 4.49 ? 135 MET A O 1 ATOM 1235 C CB . MET A 1 134 ? 30.134 15.717 30.504 1.00 3.56 ? 135 MET A CB 1 ATOM 1236 C CG . MET A 1 134 ? 29.057 15.968 29.492 1.00 3.73 ? 135 MET A CG 1 ATOM 1237 S SD . MET A 1 134 ? 27.842 14.698 29.547 1.00 7.03 ? 135 MET A SD 1 ATOM 1238 C CE . MET A 1 134 ? 26.836 15.125 28.112 1.00 6.12 ? 135 MET A CE 1 ATOM 1239 H H . MET A 1 134 ? 31.895 16.551 28.854 1.00 3.97 ? 135 MET A H 1 ATOM 1240 N N . ILE A 1 135 ? 32.963 16.011 31.878 1.00 3.00 ? 136 ILE A N 1 ATOM 1241 C CA . ILE A 1 135 ? 33.829 15.736 33.022 1.00 5.26 ? 136 ILE A CA 1 ATOM 1242 C C . ILE A 1 135 ? 34.290 17.034 33.695 1.00 4.78 ? 136 ILE A C 1 ATOM 1243 O O . ILE A 1 135 ? 34.353 17.111 34.925 1.00 5.52 ? 136 ILE A O 1 ATOM 1244 C CB . ILE A 1 135 ? 35.043 14.842 32.611 1.00 4.88 ? 136 ILE A CB 1 ATOM 1245 C CG1 . ILE A 1 135 ? 34.565 13.405 32.374 1.00 3.49 ? 136 ILE A CG1 1 ATOM 1246 C CG2 . ILE A 1 135 ? 36.171 14.891 33.678 1.00 3.00 ? 136 ILE A CG2 1 ATOM 1247 C CD1 . ILE A 1 135 ? 35.544 12.548 31.566 1.00 3.00 ? 136 ILE A CD1 1 ATOM 1248 H H . ILE A 1 135 ? 33.187 15.635 30.999 1.00 3.00 ? 136 ILE A H 1 ATOM 1249 N N . GLY A 1 136 ? 34.566 18.059 32.894 1.00 5.20 ? 137 GLY A N 1 ATOM 1250 C CA . GLY A 1 136 ? 35.001 19.332 33.440 1.00 6.54 ? 137 GLY A CA 1 ATOM 1251 C C . GLY A 1 136 ? 33.934 19.956 34.322 1.00 7.01 ? 137 GLY A C 1 ATOM 1252 O O . GLY A 1 136 ? 34.235 20.501 35.385 1.00 7.83 ? 137 GLY A O 1 ATOM 1253 H H . GLY A 1 136 ? 34.475 17.944 31.923 1.00 5.20 ? 137 GLY A H 1 ATOM 1254 N N . PHE A 1 137 ? 32.677 19.864 33.895 1.00 6.58 ? 138 PHE A N 1 ATOM 1255 C CA . PHE A 1 137 ? 31.579 20.421 34.690 1.00 6.18 ? 138 PHE A CA 1 ATOM 1256 C C . PHE A 1 137 ? 31.343 19.528 35.913 1.00 4.59 ? 138 PHE A C 1 ATOM 1257 O O . PHE A 1 137 ? 31.100 20.029 37.005 1.00 4.06 ? 138 PHE A O 1 ATOM 1258 C CB . PHE A 1 137 ? 30.301 20.565 33.844 1.00 5.34 ? 138 PHE A CB 1 ATOM 1259 C CG . PHE A 1 137 ? 29.185 21.304 34.539 1.00 6.93 ? 138 PHE A CG 1 ATOM 1260 C CD1 . PHE A 1 137 ? 29.326 22.641 34.882 1.00 9.86 ? 138 PHE A CD1 1 ATOM 1261 C CD2 . PHE A 1 137 ? 27.991 20.655 34.843 1.00 7.46 ? 138 PHE A CD2 1 ATOM 1262 C CE1 . PHE A 1 137 ? 28.293 23.324 35.520 1.00 11.11 ? 138 PHE A CE1 1 ATOM 1263 C CE2 . PHE A 1 137 ? 26.954 21.325 35.475 1.00 9.10 ? 138 PHE A CE2 1 ATOM 1264 C CZ . PHE A 1 137 ? 27.107 22.665 35.815 1.00 10.55 ? 138 PHE A CZ 1 ATOM 1265 H H . PHE A 1 137 ? 32.474 19.420 33.044 1.00 6.58 ? 138 PHE A H 1 ATOM 1266 N N . GLY A 1 138 ? 31.435 18.212 35.728 1.00 3.49 ? 139 GLY A N 1 ATOM 1267 C CA . GLY A 1 138 ? 31.255 17.284 36.836 1.00 3.62 ? 139 GLY A CA 1 ATOM 1268 C C . GLY A 1 138 ? 32.271 17.555 37.940 1.00 4.86 ? 139 GLY A C 1 ATOM 1269 O O . GLY A 1 138 ? 31.959 17.416 39.127 1.00 3.94 ? 139 GLY A O 1 ATOM 1270 H H . GLY A 1 138 ? 31.616 17.870 34.831 1.00 3.49 ? 139 GLY A H 1 ATOM 1271 N N . GLN A 1 139 ? 33.483 17.944 37.548 1.00 5.89 ? 140 GLN A N 1 ATOM 1272 C CA . GLN A 1 139 ? 34.545 18.257 38.502 1.00 7.57 ? 140 GLN A CA 1 ATOM 1273 C C . GLN A 1 139 ? 34.126 19.487 39.309 1.00 8.46 ? 140 GLN A C 1 ATOM 1274 O O . GLN A 1 139 ? 34.283 19.519 40.532 1.00 6.37 ? 140 GLN A O 1 ATOM 1275 C CB . GLN A 1 139 ? 35.862 18.540 37.772 1.00 9.00 ? 140 GLN A CB 1 ATOM 1276 C CG . GLN A 1 139 ? 36.497 17.331 37.113 1.00 13.95 ? 140 GLN A CG 1 ATOM 1277 C CD . GLN A 1 139 ? 37.662 17.680 36.161 1.00 17.78 ? 140 GLN A CD 1 ATOM 1278 O OE1 . GLN A 1 139 ? 37.934 18.856 35.860 1.00 17.84 ? 140 GLN A OE1 1 ATOM 1279 N NE2 . GLN A 1 139 ? 38.352 16.646 35.684 1.00 17.91 ? 140 GLN A NE2 1 ATOM 1280 H H . GLN A 1 139 ? 33.667 18.009 36.590 1.00 5.89 ? 140 GLN A H 1 ATOM 1281 H HE21 . GLN A 1 139 ? 39.086 16.830 35.060 1.00 17.91 ? 140 GLN A HE21 1 ATOM 1282 H HE22 . GLN A 1 139 ? 38.103 15.738 35.968 1.00 17.91 ? 140 GLN A HE22 1 ATOM 1283 N N . TRP A 1 140 ? 33.617 20.511 38.621 1.00 7.90 ? 141 TRP A N 1 ATOM 1284 C CA . TRP A 1 140 ? 33.170 21.710 39.311 1.00 7.90 ? 141 TRP A CA 1 ATOM 1285 C C . TRP A 1 140 ? 32.061 21.334 40.311 1.00 8.22 ? 141 TRP A C 1 ATOM 1286 O O . TRP A 1 140 ? 32.101 21.749 41.470 1.00 8.03 ? 141 TRP A O 1 ATOM 1287 C CB . TRP A 1 140 ? 32.659 22.757 38.313 1.00 8.78 ? 141 TRP A CB 1 ATOM 1288 C CG . TRP A 1 140 ? 32.259 24.048 38.976 1.00 7.40 ? 141 TRP A CG 1 ATOM 1289 C CD1 . TRP A 1 140 ? 33.066 25.115 39.242 1.00 7.38 ? 141 TRP A CD1 1 ATOM 1290 C CD2 . TRP A 1 140 ? 30.952 24.396 39.468 1.00 6.04 ? 141 TRP A CD2 1 ATOM 1291 N NE1 . TRP A 1 140 ? 32.344 26.107 39.875 1.00 8.13 ? 141 TRP A NE1 1 ATOM 1292 C CE2 . TRP A 1 140 ? 31.047 25.692 40.025 1.00 8.85 ? 141 TRP A CE2 1 ATOM 1293 C CE3 . TRP A 1 140 ? 29.713 23.740 39.489 1.00 5.26 ? 141 TRP A CE3 1 ATOM 1294 C CZ2 . TRP A 1 140 ? 29.951 26.343 40.603 1.00 7.58 ? 141 TRP A CZ2 1 ATOM 1295 C CZ3 . TRP A 1 140 ? 28.621 24.384 40.063 1.00 9.16 ? 141 TRP A CZ3 1 ATOM 1296 C CH2 . TRP A 1 140 ? 28.750 25.678 40.614 1.00 9.76 ? 141 TRP A CH2 1 ATOM 1297 H H . TRP A 1 140 ? 33.545 20.447 37.642 1.00 7.90 ? 141 TRP A H 1 ATOM 1298 H HE1 . TRP A 1 140 ? 32.698 26.982 40.159 1.00 8.13 ? 141 TRP A HE1 1 ATOM 1299 N N . LEU A 1 141 ? 31.083 20.549 39.859 1.00 8.33 ? 142 LEU A N 1 ATOM 1300 C CA . LEU A 1 141 ? 29.977 20.114 40.700 1.00 8.56 ? 142 LEU A CA 1 ATOM 1301 C C . LEU A 1 141 ? 30.506 19.449 41.969 1.00 11.16 ? 142 LEU A C 1 ATOM 1302 O O . LEU A 1 141 ? 30.075 19.787 43.072 1.00 10.69 ? 142 LEU A O 1 ATOM 1303 C CB . LEU A 1 141 ? 29.064 19.150 39.937 1.00 5.63 ? 142 LEU A CB 1 ATOM 1304 C CG . LEU A 1 141 ? 28.226 19.753 38.807 1.00 8.74 ? 142 LEU A CG 1 ATOM 1305 C CD1 . LEU A 1 141 ? 27.510 18.651 38.040 1.00 5.33 ? 142 LEU A CD1 1 ATOM 1306 C CD2 . LEU A 1 141 ? 27.230 20.755 39.369 1.00 7.33 ? 142 LEU A CD2 1 ATOM 1307 H H . LEU A 1 141 ? 31.111 20.265 38.922 1.00 8.33 ? 142 LEU A H 1 ATOM 1308 N N . LEU A 1 142 ? 31.466 18.538 41.818 1.00 11.42 ? 143 LEU A N 1 ATOM 1309 C CA . LEU A 1 142 ? 32.068 17.853 42.969 1.00 14.24 ? 143 LEU A CA 1 ATOM 1310 C C . LEU A 1 142 ? 32.747 18.828 43.933 1.00 13.83 ? 143 LEU A C 1 ATOM 1311 O O . LEU A 1 142 ? 32.548 18.759 45.147 1.00 15.37 ? 143 LEU A O 1 ATOM 1312 C CB . LEU A 1 142 ? 33.111 16.830 42.508 1.00 13.41 ? 143 LEU A CB 1 ATOM 1313 C CG . LEU A 1 142 ? 32.608 15.501 41.967 1.00 16.23 ? 143 LEU A CG 1 ATOM 1314 C CD1 . LEU A 1 142 ? 33.797 14.670 41.525 1.00 17.65 ? 143 LEU A CD1 1 ATOM 1315 C CD2 . LEU A 1 142 ? 31.804 14.771 43.043 1.00 15.84 ? 143 LEU A CD2 1 ATOM 1316 H H . LEU A 1 142 ? 31.772 18.318 40.917 1.00 11.42 ? 143 LEU A H 1 ATOM 1317 N N . ASP A 1 143 ? 33.573 19.706 43.377 1.00 13.79 ? 144 ASP A N 1 ATOM 1318 C CA . ASP A 1 143 ? 34.305 20.693 44.147 1.00 14.08 ? 144 ASP A CA 1 ATOM 1319 C C . ASP A 1 143 ? 33.396 21.650 44.912 1.00 14.75 ? 144 ASP A C 1 ATOM 1320 O O . ASP A 1 143 ? 33.721 22.086 46.009 1.00 13.41 ? 144 ASP A O 1 ATOM 1321 C CB . ASP A 1 143 ? 35.205 21.510 43.217 1.00 13.78 ? 144 ASP A CB 1 ATOM 1322 C CG . ASP A 1 143 ? 36.322 20.692 42.602 1.00 17.06 ? 144 ASP A CG 1 ATOM 1323 O OD1 . ASP A 1 143 ? 36.513 19.527 43.016 1.00 15.08 ? 144 ASP A OD1 1 ATOM 1324 O OD2 . ASP A 1 143 ? 37.023 21.232 41.712 1.00 19.24 ? 144 ASP A OD2 1 ATOM 1325 H H . ASP A 1 143 ? 33.721 19.687 42.408 1.00 13.79 ? 144 ASP A H 1 ATOM 1326 N N . ASN A 1 144 ? 32.248 21.981 44.339 1.00 15.10 ? 145 ASN A N 1 ATOM 1327 C CA . ASN A 1 144 ? 31.359 22.920 44.986 1.00 15.39 ? 145 ASN A CA 1 ATOM 1328 C C . ASN A 1 144 ? 30.185 22.327 45.750 1.00 15.81 ? 145 ASN A C 1 ATOM 1329 O O . ASN A 1 144 ? 29.201 23.008 45.994 1.00 15.54 ? 145 ASN A O 1 ATOM 1330 C CB . ASN A 1 144 ? 30.916 23.976 43.977 1.00 18.07 ? 145 ASN A CB 1 ATOM 1331 C CG . ASN A 1 144 ? 32.079 24.818 43.486 1.00 19.87 ? 145 ASN A CG 1 ATOM 1332 O OD1 . ASN A 1 144 ? 32.235 25.965 43.887 1.00 26.78 ? 145 ASN A OD1 1 ATOM 1333 N ND2 . ASN A 1 144 ? 32.922 24.239 42.645 1.00 18.83 ? 145 ASN A ND2 1 ATOM 1334 H H . ASN A 1 144 ? 32.008 21.577 43.481 1.00 15.10 ? 145 ASN A H 1 ATOM 1335 H HD21 . ASN A 1 144 ? 33.686 24.760 42.323 1.00 18.83 ? 145 ASN A HD21 1 ATOM 1336 H HD22 . ASN A 1 144 ? 32.751 23.313 42.377 1.00 18.83 ? 145 ASN A HD22 1 ATOM 1337 N N . GLY A 1 145 ? 30.293 21.050 46.112 1.00 17.29 ? 146 GLY A N 1 ATOM 1338 C CA . GLY A 1 145 ? 29.256 20.388 46.892 1.00 20.31 ? 146 GLY A CA 1 ATOM 1339 C C . GLY A 1 145 ? 27.948 19.931 46.263 1.00 20.40 ? 146 GLY A C 1 ATOM 1340 O O . GLY A 1 145 ? 26.964 19.713 46.975 1.00 21.72 ? 146 GLY A O 1 ATOM 1341 H H . GLY A 1 145 ? 31.089 20.541 45.852 1.00 17.29 ? 146 GLY A H 1 ATOM 1342 N N . TYR A 1 146 ? 27.916 19.772 44.947 1.00 18.43 ? 147 TYR A N 1 ATOM 1343 C CA . TYR A 1 146 ? 26.704 19.310 44.283 1.00 16.28 ? 147 TYR A CA 1 ATOM 1344 C C . TYR A 1 146 ? 27.003 17.894 43.810 1.00 17.14 ? 147 TYR A C 1 ATOM 1345 O O . TYR A 1 146 ? 26.920 17.562 42.625 1.00 16.07 ? 147 TYR A O 1 ATOM 1346 C CB . TYR A 1 146 ? 26.346 20.239 43.126 1.00 15.11 ? 147 TYR A CB 1 ATOM 1347 C CG . TYR A 1 146 ? 26.074 21.661 43.569 1.00 15.74 ? 147 TYR A CG 1 ATOM 1348 C CD1 . TYR A 1 146 ? 24.865 22.006 44.184 1.00 16.97 ? 147 TYR A CD1 1 ATOM 1349 C CD2 . TYR A 1 146 ? 27.019 22.663 43.370 1.00 15.26 ? 147 TYR A CD2 1 ATOM 1350 C CE1 . TYR A 1 146 ? 24.612 23.320 44.579 1.00 18.87 ? 147 TYR A CE1 1 ATOM 1351 C CE2 . TYR A 1 146 ? 26.778 23.974 43.763 1.00 15.94 ? 147 TYR A CE2 1 ATOM 1352 C CZ . TYR A 1 146 ? 25.576 24.298 44.364 1.00 16.95 ? 147 TYR A CZ 1 ATOM 1353 O OH . TYR A 1 146 ? 25.323 25.604 44.718 1.00 20.47 ? 147 TYR A OH 1 ATOM 1354 H H . TYR A 1 146 ? 28.718 19.929 44.412 1.00 18.43 ? 147 TYR A H 1 ATOM 1355 H HH . TYR A 1 146 ? 26.099 26.160 44.546 1.00 20.47 ? 147 TYR A HH 1 ATOM 1356 N N . THR A 1 147 ? 27.377 17.064 44.775 1.00 19.22 ? 148 THR A N 1 ATOM 1357 C CA . THR A 1 147 ? 27.747 15.676 44.539 1.00 20.93 ? 148 THR A CA 1 ATOM 1358 C C . THR A 1 147 ? 26.681 14.887 43.816 1.00 20.01 ? 148 THR A C 1 ATOM 1359 O O . THR A 1 147 ? 26.998 14.081 42.938 1.00 20.64 ? 148 THR A O 1 ATOM 1360 C CB . THR A 1 147 ? 28.046 14.966 45.862 1.00 23.59 ? 148 THR A CB 1 ATOM 1361 O OG1 . THR A 1 147 ? 28.836 15.831 46.685 1.00 26.89 ? 148 THR A OG1 1 ATOM 1362 C CG2 . THR A 1 147 ? 28.805 13.675 45.612 1.00 23.11 ? 148 THR A CG2 1 ATOM 1363 H H . THR A 1 147 ? 27.427 17.381 45.702 1.00 19.22 ? 148 THR A H 1 ATOM 1364 H HG1 . THR A 1 147 ? 29.783 15.722 46.496 1.00 26.89 ? 148 THR A HG1 1 ATOM 1365 N N . SER A 1 148 ? 25.431 15.086 44.210 1.00 18.60 ? 149 SER A N 1 ATOM 1366 C CA . SER A 1 148 ? 24.328 14.381 43.589 1.00 20.21 ? 149 SER A CA 1 ATOM 1367 C C . SER A 1 148 ? 24.292 14.606 42.094 1.00 18.14 ? 149 SER A C 1 ATOM 1368 O O . SER A 1 148 ? 24.244 13.647 41.334 1.00 19.51 ? 149 SER A O 1 ATOM 1369 C CB . SER A 1 148 ? 22.997 14.805 44.200 1.00 22.84 ? 149 SER A CB 1 ATOM 1370 O OG . SER A 1 148 ? 23.004 14.537 45.590 1.00 33.59 ? 149 SER A OG 1 ATOM 1371 H H . SER A 1 148 ? 25.230 15.712 44.940 1.00 18.60 ? 149 SER A H 1 ATOM 1372 H HG . SER A 1 148 ? 22.137 14.780 45.961 1.00 33.59 ? 149 SER A HG 1 ATOM 1373 N N . ALA A 1 149 ? 24.340 15.862 41.667 1.00 13.03 ? 150 ALA A N 1 ATOM 1374 C CA . ALA A 1 149 ? 24.302 16.154 40.246 1.00 10.88 ? 150 ALA A CA 1 ATOM 1375 C C . ALA A 1 149 ? 25.462 15.464 39.527 1.00 9.97 ? 150 ALA A C 1 ATOM 1376 O O . ALA A 1 149 ? 25.288 14.887 38.460 1.00 9.81 ? 150 ALA A O 1 ATOM 1377 C CB . ALA A 1 149 ? 24.324 17.656 40.011 1.00 10.50 ? 150 ALA A CB 1 ATOM 1378 H H . ALA A 1 149 ? 24.401 16.600 42.323 1.00 13.03 ? 150 ALA A H 1 ATOM 1379 N N . ALA A 1 150 ? 26.641 15.475 40.132 1.00 9.63 ? 151 ALA A N 1 ATOM 1380 C CA . ALA A 1 150 ? 27.783 14.833 39.505 1.00 9.29 ? 151 ALA A CA 1 ATOM 1381 C C . ALA A 1 150 ? 27.630 13.320 39.383 1.00 9.80 ? 151 ALA A C 1 ATOM 1382 O O . ALA A 1 150 ? 27.837 12.759 38.310 1.00 9.60 ? 151 ALA A O 1 ATOM 1383 C CB . ALA A 1 150 ? 29.054 15.162 40.261 1.00 6.15 ? 151 ALA A CB 1 ATOM 1384 H H . ALA A 1 150 ? 26.743 15.943 40.991 1.00 9.63 ? 151 ALA A H 1 ATOM 1385 N N A THR A 1 151 ? 27.209 12.688 40.472 0.60 9.72 ? 152 THR A N 1 ATOM 1386 N N B THR A 1 151 ? 27.226 12.664 40.469 0.40 9.67 ? 152 THR A N 1 ATOM 1387 C CA A THR A 1 151 ? 27.061 11.238 40.540 0.60 9.76 ? 152 THR A CA 1 ATOM 1388 C CA B THR A 1 151 ? 27.087 11.207 40.478 0.40 9.53 ? 152 THR A CA 1 ATOM 1389 C C A THR A 1 151 ? 25.863 10.659 39.799 0.60 9.93 ? 152 THR A C 1 ATOM 1390 C C B THR A 1 151 ? 25.862 10.655 39.761 0.40 9.77 ? 152 THR A C 1 ATOM 1391 O O A THR A 1 151 ? 25.966 9.615 39.169 0.60 9.96 ? 152 THR A O 1 ATOM 1392 O O B THR A 1 151 ? 25.941 9.614 39.114 0.40 9.95 ? 152 THR A O 1 ATOM 1393 C CB A THR A 1 151 ? 26.993 10.773 42.013 0.60 9.73 ? 152 THR A CB 1 ATOM 1394 C CB B THR A 1 151 ? 27.103 10.624 41.918 0.40 9.49 ? 152 THR A CB 1 ATOM 1395 O OG1 A THR A 1 151 ? 28.074 11.361 42.750 0.60 9.53 ? 152 THR A OG1 1 ATOM 1396 O OG1 B THR A 1 151 ? 25.942 11.062 42.637 0.40 8.14 ? 152 THR A OG1 1 ATOM 1397 C CG2 A THR A 1 151 ? 27.084 9.260 42.100 0.60 8.46 ? 152 THR A CG2 1 ATOM 1398 C CG2 B THR A 1 151 ? 28.349 11.067 42.661 0.40 9.47 ? 152 THR A CG2 1 ATOM 1399 H H A THR A 1 151 ? 26.966 13.220 41.250 0.60 9.72 ? 152 THR A H 1 ATOM 1400 H H B THR A 1 151 ? 26.982 13.144 41.285 0.40 9.67 ? 152 THR A H 1 ATOM 1401 H HG1 A THR A 1 151 ? 27.906 12.308 42.788 0.60 9.53 ? 152 THR A HG1 1 ATOM 1402 H HG1 B THR A 1 151 ? 25.792 10.582 43.466 0.40 8.14 ? 152 THR A HG1 1 ATOM 1403 N N . GLU A 1 152 ? 24.722 11.328 39.892 1.00 9.76 ? 153 GLU A N 1 ATOM 1404 C CA . GLU A 1 152 ? 23.509 10.843 39.248 1.00 11.29 ? 153 GLU A CA 1 ATOM 1405 C C . GLU A 1 152 ? 23.200 11.338 37.837 1.00 10.43 ? 153 GLU A C 1 ATOM 1406 O O . GLU A 1 152 ? 22.479 10.675 37.091 1.00 10.23 ? 153 GLU A O 1 ATOM 1407 C CB . GLU A 1 152 ? 22.329 11.070 40.181 1.00 13.19 ? 153 GLU A CB 1 ATOM 1408 C CG . GLU A 1 152 ? 22.526 10.372 41.520 1.00 19.69 ? 153 GLU A CG 1 ATOM 1409 C CD . GLU A 1 152 ? 21.563 10.849 42.587 1.00 23.91 ? 153 GLU A CD 1 ATOM 1410 O OE1 . GLU A 1 152 ? 20.495 11.413 42.247 1.00 28.21 ? 153 GLU A OE1 1 ATOM 1411 O OE2 . GLU A 1 152 ? 21.883 10.651 43.781 1.00 30.10 ? 153 GLU A OE2 1 ATOM 1412 H H . GLU A 1 152 ? 24.710 12.140 40.425 1.00 9.76 ? 153 GLU A H 1 ATOM 1413 N N . ILE A 1 153 ? 23.729 12.498 37.463 1.00 9.60 ? 154 ILE A N 1 ATOM 1414 C CA . ILE A 1 153 ? 23.476 13.016 36.123 1.00 8.62 ? 154 ILE A CA 1 ATOM 1415 C C . ILE A 1 153 ? 24.716 12.900 35.232 1.00 8.30 ? 154 ILE A C 1 ATOM 1416 O O . ILE A 1 153 ? 24.719 12.145 34.273 1.00 7.24 ? 154 ILE A O 1 ATOM 1417 C CB . ILE A 1 153 ? 22.984 14.504 36.154 1.00 10.01 ? 154 ILE A CB 1 ATOM 1418 C CG1 . ILE A 1 153 ? 21.687 14.632 36.966 1.00 10.75 ? 154 ILE A CG1 1 ATOM 1419 C CG2 . ILE A 1 153 ? 22.734 15.020 34.730 1.00 9.94 ? 154 ILE A CG2 1 ATOM 1420 C CD1 . ILE A 1 153 ? 21.236 16.079 37.192 1.00 5.65 ? 154 ILE A CD1 1 ATOM 1421 H H . ILE A 1 153 ? 24.298 13.010 38.075 1.00 9.60 ? 154 ILE A H 1 ATOM 1422 N N . VAL A 1 154 ? 25.789 13.598 35.598 1.00 7.01 ? 155 VAL A N 1 ATOM 1423 C CA . VAL A 1 154 ? 26.998 13.625 34.785 1.00 5.58 ? 155 VAL A CA 1 ATOM 1424 C C . VAL A 1 154 ? 27.705 12.278 34.592 1.00 6.38 ? 155 VAL A C 1 ATOM 1425 O O . VAL A 1 154 ? 27.912 11.843 33.457 1.00 4.53 ? 155 VAL A O 1 ATOM 1426 C CB . VAL A 1 154 ? 27.996 14.694 35.304 1.00 7.48 ? 155 VAL A CB 1 ATOM 1427 C CG1 . VAL A 1 154 ? 29.188 14.816 34.352 1.00 4.27 ? 155 VAL A CG1 1 ATOM 1428 C CG2 . VAL A 1 154 ? 27.286 16.046 35.432 1.00 6.47 ? 155 VAL A CG2 1 ATOM 1429 H H . VAL A 1 154 ? 25.766 14.086 36.448 1.00 7.01 ? 155 VAL A H 1 ATOM 1430 N N . TRP A 1 155 ? 28.062 11.616 35.689 1.00 3.00 ? 156 TRP A N 1 ATOM 1431 C CA . TRP A 1 155 ? 28.746 10.340 35.611 1.00 4.22 ? 156 TRP A CA 1 ATOM 1432 C C . TRP A 1 155 ? 28.055 9.310 34.697 1.00 4.17 ? 156 TRP A C 1 ATOM 1433 O O . TRP A 1 155 ? 28.699 8.742 33.815 1.00 5.81 ? 156 TRP A O 1 ATOM 1434 C CB . TRP A 1 155 ? 29.018 9.775 37.025 1.00 5.38 ? 156 TRP A CB 1 ATOM 1435 C CG . TRP A 1 155 ? 29.451 8.329 37.043 1.00 5.53 ? 156 TRP A CG 1 ATOM 1436 C CD1 . TRP A 1 155 ? 28.856 7.302 37.732 1.00 6.32 ? 156 TRP A CD1 1 ATOM 1437 C CD2 . TRP A 1 155 ? 30.529 7.748 36.302 1.00 5.34 ? 156 TRP A CD2 1 ATOM 1438 N NE1 . TRP A 1 155 ? 29.500 6.120 37.459 1.00 5.24 ? 156 TRP A NE1 1 ATOM 1439 C CE2 . TRP A 1 155 ? 30.525 6.360 36.582 1.00 6.68 ? 156 TRP A CE2 1 ATOM 1440 C CE3 . TRP A 1 155 ? 31.498 8.258 35.422 1.00 8.93 ? 156 TRP A CE3 1 ATOM 1441 C CZ2 . TRP A 1 155 ? 31.453 5.475 36.011 1.00 6.93 ? 156 TRP A CZ2 1 ATOM 1442 C CZ3 . TRP A 1 155 ? 32.423 7.374 34.853 1.00 8.17 ? 156 TRP A CZ3 1 ATOM 1443 C CH2 . TRP A 1 155 ? 32.389 5.999 35.153 1.00 6.59 ? 156 TRP A CH2 1 ATOM 1444 H H . TRP A 1 155 ? 27.866 12.000 36.570 1.00 3.00 ? 156 TRP A H 1 ATOM 1445 H HE1 . TRP A 1 155 ? 29.200 5.251 37.800 1.00 5.24 ? 156 TRP A HE1 1 ATOM 1446 N N . PRO A 1 156 ? 26.741 9.071 34.868 1.00 5.22 ? 157 PRO A N 1 ATOM 1447 C CA . PRO A 1 156 ? 26.109 8.081 33.981 1.00 4.42 ? 157 PRO A CA 1 ATOM 1448 C C . PRO A 1 156 ? 26.189 8.418 32.477 1.00 4.44 ? 157 PRO A C 1 ATOM 1449 O O . PRO A 1 156 ? 26.295 7.506 31.645 1.00 4.06 ? 157 PRO A O 1 ATOM 1450 C CB . PRO A 1 156 ? 24.660 8.051 34.481 1.00 6.46 ? 157 PRO A CB 1 ATOM 1451 C CG . PRO A 1 156 ? 24.789 8.403 35.930 1.00 7.04 ? 157 PRO A CG 1 ATOM 1452 C CD . PRO A 1 156 ? 25.790 9.533 35.897 1.00 3.99 ? 157 PRO A CD 1 ATOM 1453 N N . LEU A 1 157 ? 26.133 9.710 32.132 1.00 3.92 ? 158 LEU A N 1 ATOM 1454 C CA . LEU A 1 157 ? 26.217 10.151 30.734 1.00 3.76 ? 158 LEU A CA 1 ATOM 1455 C C . LEU A 1 157 ? 27.633 9.925 30.233 1.00 4.35 ? 158 LEU A C 1 ATOM 1456 O O . LEU A 1 157 ? 27.848 9.430 29.124 1.00 4.61 ? 158 LEU A O 1 ATOM 1457 C CB . LEU A 1 157 ? 25.865 11.626 30.604 1.00 3.00 ? 158 LEU A CB 1 ATOM 1458 C CG . LEU A 1 157 ? 24.388 11.978 30.772 1.00 6.23 ? 158 LEU A CG 1 ATOM 1459 C CD1 . LEU A 1 157 ? 24.218 13.483 30.888 1.00 7.15 ? 158 LEU A CD1 1 ATOM 1460 C CD2 . LEU A 1 157 ? 23.587 11.441 29.599 1.00 5.20 ? 158 LEU A CD2 1 ATOM 1461 H H . LEU A 1 157 ? 26.031 10.393 32.828 1.00 3.92 ? 158 LEU A H 1 ATOM 1462 N N . VAL A 1 158 ? 28.599 10.283 31.066 1.00 3.34 ? 159 VAL A N 1 ATOM 1463 C CA . VAL A 1 158 ? 29.999 10.091 30.744 1.00 3.86 ? 159 VAL A CA 1 ATOM 1464 C C . VAL A 1 158 ? 30.329 8.598 30.597 1.00 4.55 ? 159 VAL A C 1 ATOM 1465 O O . VAL A 1 158 ? 31.025 8.200 29.665 1.00 6.10 ? 159 VAL A O 1 ATOM 1466 C CB . VAL A 1 158 ? 30.892 10.739 31.821 1.00 3.39 ? 159 VAL A CB 1 ATOM 1467 C CG1 . VAL A 1 158 ? 32.337 10.369 31.609 1.00 3.00 ? 159 VAL A CG1 1 ATOM 1468 C CG2 . VAL A 1 158 ? 30.747 12.261 31.748 1.00 4.49 ? 159 VAL A CG2 1 ATOM 1469 H H . VAL A 1 158 ? 28.369 10.702 31.926 1.00 3.34 ? 159 VAL A H 1 ATOM 1470 N N . ARG A 1 159 ? 29.800 7.771 31.492 1.00 4.09 ? 160 ARG A N 1 ATOM 1471 C CA . ARG A 1 159 ? 30.048 6.332 31.456 1.00 3.16 ? 160 ARG A CA 1 ATOM 1472 C C . ARG A 1 159 ? 29.668 5.707 30.099 1.00 4.69 ? 160 ARG A C 1 ATOM 1473 O O . ARG A 1 159 ? 30.336 4.782 29.628 1.00 3.00 ? 160 ARG A O 1 ATOM 1474 C CB . ARG A 1 159 ? 29.290 5.651 32.603 1.00 4.10 ? 160 ARG A CB 1 ATOM 1475 C CG . ARG A 1 159 ? 29.703 4.195 32.876 1.00 6.48 ? 160 ARG A CG 1 ATOM 1476 C CD . ARG A 1 159 ? 28.921 3.634 34.064 1.00 4.82 ? 160 ARG A CD 1 ATOM 1477 N NE . ARG A 1 159 ? 27.485 3.768 33.826 1.00 5.41 ? 160 ARG A NE 1 ATOM 1478 C CZ . ARG A 1 159 ? 26.534 3.609 34.743 1.00 6.29 ? 160 ARG A CZ 1 ATOM 1479 N NH1 . ARG A 1 159 ? 26.841 3.281 35.995 1.00 5.99 ? 160 ARG A NH1 1 ATOM 1480 N NH2 . ARG A 1 159 ? 25.275 3.883 34.423 1.00 4.96 ? 160 ARG A NH2 1 ATOM 1481 H H . ARG A 1 159 ? 29.235 8.137 32.196 1.00 4.09 ? 160 ARG A H 1 ATOM 1482 H HE . ARG A 1 159 ? 27.197 3.970 32.906 1.00 5.41 ? 160 ARG A HE 1 ATOM 1483 H HH11 . ARG A 1 159 ? 27.796 3.127 36.278 1.00 5.99 ? 160 ARG A HH11 1 ATOM 1484 H HH12 . ARG A 1 159 ? 26.117 3.172 36.677 1.00 5.99 ? 160 ARG A HH12 1 ATOM 1485 H HH21 . ARG A 1 159 ? 25.034 4.203 33.498 1.00 4.96 ? 160 ARG A HH21 1 ATOM 1486 H HH22 . ARG A 1 159 ? 24.539 3.757 35.092 1.00 4.96 ? 160 ARG A HH22 1 ATOM 1487 N N . ASN A 1 160 ? 28.585 6.200 29.488 1.00 3.32 ? 161 ASN A N 1 ATOM 1488 C CA . ASN A 1 160 ? 28.142 5.722 28.178 1.00 3.00 ? 161 ASN A CA 1 ATOM 1489 C C . ASN A 1 160 ? 29.188 6.029 27.095 1.00 3.00 ? 161 ASN A C 1 ATOM 1490 O O . ASN A 1 160 ? 29.609 5.133 26.345 1.00 3.00 ? 161 ASN A O 1 ATOM 1491 C CB . ASN A 1 160 ? 26.795 6.357 27.782 1.00 3.00 ? 161 ASN A CB 1 ATOM 1492 C CG . ASN A 1 160 ? 25.608 5.714 28.493 1.00 5.16 ? 161 ASN A CG 1 ATOM 1493 O OD1 . ASN A 1 160 ? 25.668 4.549 28.874 1.00 4.45 ? 161 ASN A OD1 1 ATOM 1494 N ND2 . ASN A 1 160 ? 24.521 6.475 28.668 1.00 3.00 ? 161 ASN A ND2 1 ATOM 1495 H H . ASN A 1 160 ? 28.064 6.890 29.957 1.00 3.32 ? 161 ASN A H 1 ATOM 1496 H HD21 . ASN A 1 160 ? 23.725 6.102 29.110 1.00 3.00 ? 161 ASN A HD21 1 ATOM 1497 H HD22 . ASN A 1 160 ? 24.547 7.402 28.340 1.00 3.00 ? 161 ASN A HD22 1 ATOM 1498 N N . ASP A 1 161 ? 29.636 7.284 27.045 1.00 3.00 ? 162 ASP A N 1 ATOM 1499 C CA . ASP A 1 161 ? 30.612 7.720 26.061 1.00 3.00 ? 162 ASP A CA 1 ATOM 1500 C C . ASP A 1 161 ? 31.969 7.046 26.212 1.00 3.81 ? 162 ASP A C 1 ATOM 1501 O O . ASP A 1 161 ? 32.583 6.658 25.218 1.00 4.38 ? 162 ASP A O 1 ATOM 1502 C CB . ASP A 1 161 ? 30.751 9.240 26.071 1.00 3.00 ? 162 ASP A CB 1 ATOM 1503 C CG . ASP A 1 161 ? 29.585 9.934 25.387 1.00 6.89 ? 162 ASP A CG 1 ATOM 1504 O OD1 . ASP A 1 161 ? 29.129 9.437 24.337 1.00 4.95 ? 162 ASP A OD1 1 ATOM 1505 O OD2 . ASP A 1 161 ? 29.115 10.975 25.893 1.00 5.80 ? 162 ASP A OD2 1 ATOM 1506 H H . ASP A 1 161 ? 29.307 7.949 27.690 1.00 3.00 ? 162 ASP A H 1 ATOM 1507 N N . LEU A 1 162 ? 32.429 6.876 27.448 1.00 3.00 ? 163 LEU A N 1 ATOM 1508 C CA . LEU A 1 162 ? 33.710 6.220 27.680 1.00 3.00 ? 163 LEU A CA 1 ATOM 1509 C C . LEU A 1 162 ? 33.661 4.745 27.261 1.00 3.31 ? 163 LEU A C 1 ATOM 1510 O O . LEU A 1 162 ? 34.662 4.195 26.821 1.00 3.14 ? 163 LEU A O 1 ATOM 1511 C CB . LEU A 1 162 ? 34.105 6.309 29.151 1.00 3.00 ? 163 LEU A CB 1 ATOM 1512 C CG . LEU A 1 162 ? 34.313 7.707 29.720 1.00 7.03 ? 163 LEU A CG 1 ATOM 1513 C CD1 . LEU A 1 162 ? 34.589 7.581 31.200 1.00 6.03 ? 163 LEU A CD1 1 ATOM 1514 C CD2 . LEU A 1 162 ? 35.442 8.420 29.000 1.00 5.45 ? 163 LEU A CD2 1 ATOM 1515 H H . LEU A 1 162 ? 31.899 7.227 28.197 1.00 3.00 ? 163 LEU A H 1 ATOM 1516 N N . SER A 1 163 ? 32.512 4.099 27.461 1.00 3.04 ? 164 SER A N 1 ATOM 1517 C CA . SER A 1 163 ? 32.319 2.703 27.082 1.00 3.21 ? 164 SER A CA 1 ATOM 1518 C C . SER A 1 163 ? 32.439 2.591 25.567 1.00 3.85 ? 164 SER A C 1 ATOM 1519 O O . SER A 1 163 ? 33.044 1.647 25.055 1.00 4.78 ? 164 SER A O 1 ATOM 1520 C CB . SER A 1 163 ? 30.952 2.179 27.563 1.00 3.13 ? 164 SER A CB 1 ATOM 1521 O OG . SER A 1 163 ? 30.916 2.101 28.984 1.00 3.92 ? 164 SER A OG 1 ATOM 1522 H H . SER A 1 163 ? 31.758 4.569 27.878 1.00 3.04 ? 164 SER A H 1 ATOM 1523 H HG . SER A 1 163 ? 30.747 2.978 29.350 1.00 3.92 ? 164 SER A HG 1 ATOM 1524 N N . TYR A 1 164 ? 31.864 3.554 24.850 1.00 4.18 ? 165 TYR A N 1 ATOM 1525 C CA . TYR A 1 164 ? 31.958 3.558 23.401 1.00 3.69 ? 165 TYR A CA 1 ATOM 1526 C C . TYR A 1 164 ? 33.423 3.699 22.974 1.00 3.00 ? 165 TYR A C 1 ATOM 1527 O O . TYR A 1 164 ? 33.887 2.964 22.107 1.00 4.04 ? 165 TYR A O 1 ATOM 1528 C CB . TYR A 1 164 ? 31.138 4.704 22.803 1.00 4.02 ? 165 TYR A CB 1 ATOM 1529 C CG . TYR A 1 164 ? 31.247 4.779 21.293 1.00 5.64 ? 165 TYR A CG 1 ATOM 1530 C CD1 . TYR A 1 164 ? 32.315 5.445 20.680 1.00 4.98 ? 165 TYR A CD1 1 ATOM 1531 C CD2 . TYR A 1 164 ? 30.307 4.166 20.481 1.00 5.09 ? 165 TYR A CD2 1 ATOM 1532 C CE1 . TYR A 1 164 ? 32.441 5.493 19.301 1.00 3.51 ? 165 TYR A CE1 1 ATOM 1533 C CE2 . TYR A 1 164 ? 30.424 4.205 19.088 1.00 4.84 ? 165 TYR A CE2 1 ATOM 1534 C CZ . TYR A 1 164 ? 31.493 4.871 18.511 1.00 4.49 ? 165 TYR A CZ 1 ATOM 1535 O OH . TYR A 1 164 ? 31.617 4.916 17.147 1.00 6.94 ? 165 TYR A OH 1 ATOM 1536 H H . TYR A 1 164 ? 31.348 4.262 25.294 1.00 4.18 ? 165 TYR A H 1 ATOM 1537 H HH . TYR A 1 164 ? 30.889 4.435 16.756 1.00 6.94 ? 165 TYR A HH 1 ATOM 1538 N N . VAL A 1 165 ? 34.159 4.621 23.593 1.00 3.66 ? 166 VAL A N 1 ATOM 1539 C CA . VAL A 1 165 ? 35.561 4.838 23.235 1.00 3.56 ? 166 VAL A CA 1 ATOM 1540 C C . VAL A 1 165 ? 36.427 3.586 23.438 1.00 5.26 ? 166 VAL A C 1 ATOM 1541 O O . VAL A 1 165 ? 37.213 3.213 22.557 1.00 4.21 ? 166 VAL A O 1 ATOM 1542 C CB . VAL A 1 165 ? 36.176 6.041 24.034 1.00 4.76 ? 166 VAL A CB 1 ATOM 1543 C CG1 . VAL A 1 165 ? 37.684 6.151 23.779 1.00 3.00 ? 166 VAL A CG1 1 ATOM 1544 C CG2 . VAL A 1 165 ? 35.466 7.349 23.661 1.00 3.00 ? 166 VAL A CG2 1 ATOM 1545 H H . VAL A 1 165 ? 33.738 5.171 24.282 1.00 3.66 ? 166 VAL A H 1 ATOM 1546 N N . ALA A 1 166 ? 36.259 2.935 24.591 1.00 4.35 ? 167 ALA A N 1 ATOM 1547 C CA . ALA A 1 166 ? 37.037 1.757 24.939 1.00 4.34 ? 167 ALA A CA 1 ATOM 1548 C C . ALA A 1 166 ? 36.705 0.563 24.039 1.00 6.04 ? 167 ALA A C 1 ATOM 1549 O O . ALA A 1 166 ? 37.575 -0.247 23.701 1.00 5.03 ? 167 ALA A O 1 ATOM 1550 C CB . ALA A 1 166 ? 36.811 1.397 26.418 1.00 3.00 ? 167 ALA A CB 1 ATOM 1551 H H . ALA A 1 166 ? 35.609 3.265 25.246 1.00 4.35 ? 167 ALA A H 1 ATOM 1552 N N . GLN A 1 167 ? 35.452 0.494 23.608 1.00 4.76 ? 168 GLN A N 1 ATOM 1553 C CA . GLN A 1 167 ? 35.003 -0.599 22.782 1.00 5.26 ? 168 GLN A CA 1 ATOM 1554 C C . GLN A 1 167 ? 35.378 -0.483 21.307 1.00 7.31 ? 168 GLN A C 1 ATOM 1555 O O . GLN A 1 167 ? 35.696 -1.479 20.673 1.00 8.24 ? 168 GLN A O 1 ATOM 1556 C CB . GLN A 1 167 ? 33.481 -0.752 22.931 1.00 4.85 ? 168 GLN A CB 1 ATOM 1557 C CG . GLN A 1 167 ? 32.906 -1.920 22.163 1.00 6.41 ? 168 GLN A CG 1 ATOM 1558 C CD . GLN A 1 167 ? 31.416 -2.141 22.371 1.00 8.53 ? 168 GLN A CD 1 ATOM 1559 O OE1 . GLN A 1 167 ? 30.846 -3.051 21.778 1.00 11.12 ? 168 GLN A OE1 1 ATOM 1560 N NE2 . GLN A 1 167 ? 30.779 -1.321 23.187 1.00 4.14 ? 168 GLN A NE2 1 ATOM 1561 H H . GLN A 1 167 ? 34.823 1.198 23.866 1.00 4.76 ? 168 GLN A H 1 ATOM 1562 H HE21 . GLN A 1 167 ? 29.817 -1.473 23.239 1.00 4.14 ? 168 GLN A HE21 1 ATOM 1563 H HE22 . GLN A 1 167 ? 31.238 -0.610 23.674 1.00 4.14 ? 168 GLN A HE22 1 ATOM 1564 N N . TYR A 1 168 ? 35.434 0.735 20.781 1.00 5.96 ? 169 TYR A N 1 ATOM 1565 C CA . TYR A 1 168 ? 35.687 0.899 19.357 1.00 6.31 ? 169 TYR A CA 1 ATOM 1566 C C . TYR A 1 168 ? 36.907 1.687 18.908 1.00 5.13 ? 169 TYR A C 1 ATOM 1567 O O . TYR A 1 168 ? 37.064 1.918 17.719 1.00 5.36 ? 169 TYR A O 1 ATOM 1568 C CB . TYR A 1 168 ? 34.460 1.547 18.715 1.00 4.86 ? 169 TYR A CB 1 ATOM 1569 C CG . TYR A 1 168 ? 33.180 0.770 18.883 1.00 6.78 ? 169 TYR A CG 1 ATOM 1570 C CD1 . TYR A 1 168 ? 32.930 -0.365 18.119 1.00 9.36 ? 169 TYR A CD1 1 ATOM 1571 C CD2 . TYR A 1 168 ? 32.192 1.210 19.754 1.00 7.31 ? 169 TYR A CD2 1 ATOM 1572 C CE1 . TYR A 1 168 ? 31.715 -1.036 18.207 1.00 11.21 ? 169 TYR A CE1 1 ATOM 1573 C CE2 . TYR A 1 168 ? 30.985 0.551 19.859 1.00 10.34 ? 169 TYR A CE2 1 ATOM 1574 C CZ . TYR A 1 168 ? 30.746 -0.569 19.075 1.00 11.88 ? 169 TYR A CZ 1 ATOM 1575 O OH . TYR A 1 168 ? 29.522 -1.195 19.136 1.00 15.36 ? 169 TYR A OH 1 ATOM 1576 H H . TYR A 1 168 ? 35.291 1.529 21.340 1.00 5.96 ? 169 TYR A H 1 ATOM 1577 H HH . TYR A 1 168 ? 29.477 -1.856 18.424 1.00 15.36 ? 169 TYR A HH 1 ATOM 1578 N N . TRP A 1 169 ? 37.791 2.062 19.817 1.00 3.69 ? 170 TRP A N 1 ATOM 1579 C CA . TRP A 1 169 ? 38.930 2.876 19.408 1.00 4.71 ? 170 TRP A CA 1 ATOM 1580 C C . TRP A 1 169 ? 39.795 2.276 18.302 1.00 4.68 ? 170 TRP A C 1 ATOM 1581 O O . TRP A 1 169 ? 40.290 2.997 17.428 1.00 3.83 ? 170 TRP A O 1 ATOM 1582 C CB . TRP A 1 169 ? 39.796 3.235 20.619 1.00 4.94 ? 170 TRP A CB 1 ATOM 1583 C CG . TRP A 1 169 ? 40.562 2.082 21.209 1.00 4.01 ? 170 TRP A CG 1 ATOM 1584 C CD1 . TRP A 1 169 ? 40.198 1.318 22.283 1.00 4.08 ? 170 TRP A CD1 1 ATOM 1585 C CD2 . TRP A 1 169 ? 41.838 1.582 20.773 1.00 5.18 ? 170 TRP A CD2 1 ATOM 1586 N NE1 . TRP A 1 169 ? 41.170 0.376 22.542 1.00 4.31 ? 170 TRP A NE1 1 ATOM 1587 C CE2 . TRP A 1 169 ? 42.184 0.513 21.632 1.00 3.89 ? 170 TRP A CE2 1 ATOM 1588 C CE3 . TRP A 1 169 ? 42.722 1.939 19.743 1.00 4.64 ? 170 TRP A CE3 1 ATOM 1589 C CZ2 . TRP A 1 169 ? 43.379 -0.208 21.495 1.00 6.44 ? 170 TRP A CZ2 1 ATOM 1590 C CZ3 . TRP A 1 169 ? 43.919 1.218 19.605 1.00 7.19 ? 170 TRP A CZ3 1 ATOM 1591 C CH2 . TRP A 1 169 ? 44.232 0.157 20.480 1.00 7.05 ? 170 TRP A CH2 1 ATOM 1592 H H . TRP A 1 169 ? 37.679 1.824 20.765 1.00 3.69 ? 170 TRP A H 1 ATOM 1593 H HE1 . TRP A 1 169 ? 41.122 -0.305 23.248 1.00 4.31 ? 170 TRP A HE1 1 ATOM 1594 N N . ASN A 1 170 ? 39.930 0.953 18.325 1.00 4.08 ? 171 ASN A N 1 ATOM 1595 C CA . ASN A 1 170 ? 40.779 0.217 17.388 1.00 5.40 ? 171 ASN A CA 1 ATOM 1596 C C . ASN A 1 170 ? 40.096 -0.166 16.077 1.00 6.48 ? 171 ASN A C 1 ATOM 1597 O O . ASN A 1 170 ? 40.505 -1.120 15.420 1.00 7.74 ? 171 ASN A O 1 ATOM 1598 C CB . ASN A 1 170 ? 41.361 -1.014 18.104 1.00 3.01 ? 171 ASN A CB 1 ATOM 1599 C CG . ASN A 1 170 ? 42.564 -1.629 17.388 1.00 7.71 ? 171 ASN A CG 1 ATOM 1600 O OD1 . ASN A 1 170 ? 42.723 -2.848 17.410 1.00 8.88 ? 171 ASN A OD1 1 ATOM 1601 N ND2 . ASN A 1 170 ? 43.436 -0.816 16.797 1.00 5.61 ? 171 ASN A ND2 1 ATOM 1602 H H . ASN A 1 170 ? 39.439 0.439 19.005 1.00 4.08 ? 171 ASN A H 1 ATOM 1603 H HD21 . ASN A 1 170 ? 43.305 0.154 16.784 1.00 5.61 ? 171 ASN A HD21 1 ATOM 1604 N N . GLN A 1 171 ? 39.044 0.572 15.717 1.00 5.40 ? 172 GLN A N 1 ATOM 1605 C CA . GLN A 1 171 ? 38.297 0.355 14.477 1.00 5.76 ? 172 GLN A CA 1 ATOM 1606 C C . GLN A 1 171 ? 38.366 1.626 13.629 1.00 5.99 ? 172 GLN A C 1 ATOM 1607 O O . GLN A 1 171 ? 38.359 2.740 14.163 1.00 8.23 ? 172 GLN A O 1 ATOM 1608 C CB . GLN A 1 171 ? 36.814 0.054 14.764 1.00 5.47 ? 172 GLN A CB 1 ATOM 1609 C CG . GLN A 1 171 ? 36.557 -1.251 15.496 1.00 6.69 ? 172 GLN A CG 1 ATOM 1610 C CD . GLN A 1 171 ? 37.097 -2.476 14.746 1.00 8.76 ? 172 GLN A CD 1 ATOM 1611 O OE1 . GLN A 1 171 ? 37.843 -3.279 15.312 1.00 11.15 ? 172 GLN A OE1 1 ATOM 1612 N NE2 . GLN A 1 171 ? 36.713 -2.630 13.489 1.00 4.32 ? 172 GLN A NE2 1 ATOM 1613 H H . GLN A 1 171 ? 38.741 1.317 16.276 1.00 5.40 ? 172 GLN A H 1 ATOM 1614 H HE21 . GLN A 1 171 ? 36.963 -3.469 13.039 1.00 4.32 ? 172 GLN A HE21 1 ATOM 1615 H HE22 . GLN A 1 171 ? 36.151 -1.940 13.072 1.00 4.32 ? 172 GLN A HE22 1 ATOM 1616 N N . THR A 1 172 ? 38.368 1.472 12.311 1.00 3.89 ? 173 THR A N 1 ATOM 1617 C CA . THR A 1 172 ? 38.417 2.627 11.429 1.00 5.38 ? 173 THR A CA 1 ATOM 1618 C C . THR A 1 172 ? 37.100 3.417 11.508 1.00 7.54 ? 173 THR A C 1 ATOM 1619 O O . THR A 1 172 ? 36.084 2.899 11.984 1.00 6.90 ? 173 THR A O 1 ATOM 1620 C CB . THR A 1 172 ? 38.669 2.193 9.972 1.00 6.48 ? 173 THR A CB 1 ATOM 1621 O OG1 . THR A 1 172 ? 37.673 1.234 9.575 1.00 4.21 ? 173 THR A OG1 1 ATOM 1622 C CG2 . THR A 1 172 ? 40.065 1.569 9.842 1.00 3.79 ? 173 THR A CG2 1 ATOM 1623 H H . THR A 1 172 ? 38.322 0.576 11.912 1.00 3.89 ? 173 THR A H 1 ATOM 1624 H HG1 . THR A 1 172 ? 37.836 1.024 8.629 1.00 4.21 ? 173 THR A HG1 1 ATOM 1625 N N . GLY A 1 173 ? 37.142 4.667 11.053 1.00 7.73 ? 174 GLY A N 1 ATOM 1626 C CA . GLY A 1 173 ? 35.980 5.545 11.038 1.00 6.59 ? 174 GLY A CA 1 ATOM 1627 C C . GLY A 1 173 ? 36.392 6.823 10.312 1.00 7.29 ? 174 GLY A C 1 ATOM 1628 O O . GLY A 1 173 ? 37.524 6.919 9.834 1.00 6.12 ? 174 GLY A O 1 ATOM 1629 H H . GLY A 1 173 ? 37.981 5.031 10.706 1.00 7.73 ? 174 GLY A H 1 ATOM 1630 N N . TYR A 1 174 ? 35.511 7.813 10.215 1.00 5.19 ? 175 TYR A N 1 ATOM 1631 C CA . TYR A 1 174 ? 35.895 9.039 9.519 1.00 5.14 ? 175 TYR A CA 1 ATOM 1632 C C . TYR A 1 174 ? 36.637 9.998 10.435 1.00 4.76 ? 175 TYR A C 1 ATOM 1633 O O . TYR A 1 174 ? 36.453 9.973 11.663 1.00 3.00 ? 175 TYR A O 1 ATOM 1634 C CB . TYR A 1 174 ? 34.690 9.726 8.859 1.00 3.27 ? 175 TYR A CB 1 ATOM 1635 C CG . TYR A 1 174 ? 34.228 9.004 7.624 1.00 4.55 ? 175 TYR A CG 1 ATOM 1636 C CD1 . TYR A 1 174 ? 33.420 7.870 7.723 1.00 6.20 ? 175 TYR A CD1 1 ATOM 1637 C CD2 . TYR A 1 174 ? 34.656 9.399 6.363 1.00 5.66 ? 175 TYR A CD2 1 ATOM 1638 C CE1 . TYR A 1 174 ? 33.058 7.142 6.609 1.00 7.35 ? 175 TYR A CE1 1 ATOM 1639 C CE2 . TYR A 1 174 ? 34.293 8.673 5.226 1.00 8.79 ? 175 TYR A CE2 1 ATOM 1640 C CZ . TYR A 1 174 ? 33.496 7.545 5.366 1.00 7.79 ? 175 TYR A CZ 1 ATOM 1641 O OH . TYR A 1 174 ? 33.153 6.805 4.271 1.00 12.61 ? 175 TYR A OH 1 ATOM 1642 H H . TYR A 1 174 ? 34.637 7.730 10.649 1.00 5.19 ? 175 TYR A H 1 ATOM 1643 H HH . TYR A 1 174 ? 32.399 6.208 4.451 1.00 12.61 ? 175 TYR A HH 1 ATOM 1644 N N . ASP A 1 175 ? 37.523 10.794 9.839 1.00 4.52 ? 176 ASP A N 1 ATOM 1645 C CA . ASP A 1 175 ? 38.307 11.778 10.583 1.00 3.00 ? 176 ASP A CA 1 ATOM 1646 C C . ASP A 1 175 ? 37.448 12.988 10.967 1.00 4.00 ? 176 ASP A C 1 ATOM 1647 O O . ASP A 1 175 ? 36.268 13.067 10.600 1.00 3.07 ? 176 ASP A O 1 ATOM 1648 C CB . ASP A 1 175 ? 39.523 12.225 9.757 1.00 3.00 ? 176 ASP A CB 1 ATOM 1649 C CG . ASP A 1 175 ? 39.136 12.991 8.503 1.00 4.47 ? 176 ASP A CG 1 ATOM 1650 O OD1 . ASP A 1 175 ? 38.203 12.561 7.795 1.00 4.61 ? 176 ASP A OD1 1 ATOM 1651 O OD2 . ASP A 1 175 ? 39.768 14.023 8.223 1.00 3.75 ? 176 ASP A OD2 1 ATOM 1652 H H . ASP A 1 175 ? 37.651 10.722 8.865 1.00 4.52 ? 176 ASP A H 1 ATOM 1653 N N . LEU A 1 176 ? 38.046 13.947 11.674 1.00 3.84 ? 177 LEU A N 1 ATOM 1654 C CA . LEU A 1 176 ? 37.320 15.133 12.111 1.00 3.72 ? 177 LEU A CA 1 ATOM 1655 C C . LEU A 1 176 ? 36.798 15.964 10.950 1.00 4.52 ? 177 LEU A C 1 ATOM 1656 O O . LEU A 1 176 ? 35.843 16.724 11.127 1.00 3.22 ? 177 LEU A O 1 ATOM 1657 C CB . LEU A 1 176 ? 38.184 16.012 13.027 1.00 3.89 ? 177 LEU A CB 1 ATOM 1658 C CG . LEU A 1 176 ? 39.287 16.948 12.469 1.00 4.42 ? 177 LEU A CG 1 ATOM 1659 C CD1 . LEU A 1 176 ? 39.808 17.835 13.597 1.00 3.73 ? 177 LEU A CD1 1 ATOM 1660 C CD2 . LEU A 1 176 ? 40.426 16.171 11.829 1.00 3.00 ? 177 LEU A CD2 1 ATOM 1661 H H . LEU A 1 176 ? 38.980 13.830 11.956 1.00 3.84 ? 177 LEU A H 1 ATOM 1662 N N . TRP A 1 177 ? 37.460 15.888 9.796 1.00 3.93 ? 178 TRP A N 1 ATOM 1663 C CA . TRP A 1 177 ? 37.018 16.653 8.635 1.00 4.17 ? 178 TRP A CA 1 ATOM 1664 C C . TRP A 1 177 ? 35.936 15.886 7.865 1.00 4.99 ? 178 TRP A C 1 ATOM 1665 O O . TRP A 1 177 ? 35.521 16.313 6.783 1.00 3.45 ? 178 TRP A O 1 ATOM 1666 C CB . TRP A 1 177 ? 38.180 16.990 7.693 1.00 3.91 ? 178 TRP A CB 1 ATOM 1667 C CG . TRP A 1 177 ? 39.397 17.671 8.300 1.00 3.23 ? 178 TRP A CG 1 ATOM 1668 C CD1 . TRP A 1 177 ? 40.700 17.361 8.034 1.00 3.40 ? 178 TRP A CD1 1 ATOM 1669 C CD2 . TRP A 1 177 ? 39.435 18.817 9.185 1.00 3.28 ? 178 TRP A CD2 1 ATOM 1670 N NE1 . TRP A 1 177 ? 41.538 18.236 8.677 1.00 3.35 ? 178 TRP A NE1 1 ATOM 1671 C CE2 . TRP A 1 177 ? 40.797 19.142 9.386 1.00 3.00 ? 178 TRP A CE2 1 ATOM 1672 C CE3 . TRP A 1 177 ? 38.451 19.603 9.810 1.00 3.00 ? 178 TRP A CE3 1 ATOM 1673 C CZ2 . TRP A 1 177 ? 41.209 20.220 10.190 1.00 3.62 ? 178 TRP A CZ2 1 ATOM 1674 C CZ3 . TRP A 1 177 ? 38.858 20.681 10.614 1.00 5.53 ? 178 TRP A CZ3 1 ATOM 1675 C CH2 . TRP A 1 177 ? 40.227 20.981 10.790 1.00 3.00 ? 178 TRP A CH2 1 ATOM 1676 H H . TRP A 1 177 ? 38.253 15.326 9.727 1.00 3.93 ? 178 TRP A H 1 ATOM 1677 H HE1 . TRP A 1 177 ? 42.498 18.246 8.570 1.00 3.35 ? 178 TRP A HE1 1 ATOM 1678 N N . GLU A 1 178 ? 35.555 14.714 8.380 1.00 4.45 ? 179 GLU A N 1 ATOM 1679 C CA . GLU A 1 178 ? 34.487 13.885 7.796 1.00 4.35 ? 179 GLU A CA 1 ATOM 1680 C C . GLU A 1 178 ? 34.726 13.390 6.363 1.00 7.32 ? 179 GLU A C 1 ATOM 1681 O O . GLU A 1 178 ? 33.773 13.144 5.629 1.00 5.61 ? 179 GLU A O 1 ATOM 1682 C CB . GLU A 1 178 ? 33.174 14.674 7.829 1.00 4.33 ? 179 GLU A CB 1 ATOM 1683 C CG . GLU A 1 178 ? 33.020 15.593 9.047 1.00 3.06 ? 179 GLU A CG 1 ATOM 1684 C CD . GLU A 1 178 ? 31.625 16.162 9.178 1.00 5.86 ? 179 GLU A CD 1 ATOM 1685 O OE1 . GLU A 1 178 ? 30.782 15.538 9.843 1.00 6.80 ? 179 GLU A OE1 1 ATOM 1686 O OE2 . GLU A 1 178 ? 31.365 17.247 8.634 1.00 5.90 ? 179 GLU A OE2 1 ATOM 1687 H H . GLU A 1 178 ? 35.988 14.383 9.180 1.00 4.45 ? 179 GLU A H 1 ATOM 1688 N N . GLU A 1 179 ? 35.977 13.154 5.988 1.00 5.47 ? 180 GLU A N 1 ATOM 1689 C CA . GLU A 1 179 ? 36.261 12.748 4.612 1.00 6.58 ? 180 GLU A CA 1 ATOM 1690 C C . GLU A 1 179 ? 37.073 11.465 4.463 1.00 7.16 ? 180 GLU A C 1 ATOM 1691 O O . GLU A 1 179 ? 36.869 10.713 3.514 1.00 8.65 ? 180 GLU A O 1 ATOM 1692 C CB . GLU A 1 179 ? 36.998 13.892 3.889 1.00 6.50 ? 180 GLU A CB 1 ATOM 1693 C CG . GLU A 1 179 ? 36.264 15.225 3.939 1.00 6.04 ? 180 GLU A CG 1 ATOM 1694 C CD . GLU A 1 179 ? 37.173 16.414 3.734 1.00 6.41 ? 180 GLU A CD 1 ATOM 1695 O OE1 . GLU A 1 179 ? 38.364 16.339 4.096 1.00 6.56 ? 180 GLU A OE1 1 ATOM 1696 O OE2 . GLU A 1 179 ? 36.688 17.447 3.239 1.00 7.75 ? 180 GLU A OE2 1 ATOM 1697 H H . GLU A 1 179 ? 36.691 13.265 6.632 1.00 5.47 ? 180 GLU A H 1 ATOM 1698 N N . VAL A 1 180 ? 38.000 11.224 5.380 1.00 5.00 ? 181 VAL A N 1 ATOM 1699 C CA . VAL A 1 180 ? 38.847 10.049 5.301 1.00 5.95 ? 181 VAL A CA 1 ATOM 1700 C C . VAL A 1 180 ? 38.392 8.907 6.188 1.00 5.97 ? 181 VAL A C 1 ATOM 1701 O O . VAL A 1 180 ? 38.354 9.031 7.406 1.00 5.67 ? 181 VAL A O 1 ATOM 1702 C CB . VAL A 1 180 ? 40.322 10.400 5.657 1.00 6.98 ? 181 VAL A CB 1 ATOM 1703 C CG1 . VAL A 1 180 ? 41.210 9.186 5.501 1.00 8.21 ? 181 VAL A CG1 1 ATOM 1704 C CG2 . VAL A 1 180 ? 40.834 11.509 4.767 1.00 6.50 ? 181 VAL A CG2 1 ATOM 1705 H H . VAL A 1 180 ? 38.144 11.859 6.080 1.00 5.00 ? 181 VAL A H 1 ATOM 1706 N N . ASN A 1 181 ? 38.044 7.789 5.568 1.00 4.59 ? 182 ASN A N 1 ATOM 1707 C CA . ASN A 1 181 ? 37.654 6.605 6.312 1.00 5.67 ? 182 ASN A CA 1 ATOM 1708 C C . ASN A 1 181 ? 38.941 5.829 6.632 1.00 6.95 ? 182 ASN A C 1 ATOM 1709 O O . ASN A 1 181 ? 39.508 5.182 5.750 1.00 7.23 ? 182 ASN A O 1 ATOM 1710 C CB . ASN A 1 181 ? 36.719 5.740 5.473 1.00 7.92 ? 182 ASN A CB 1 ATOM 1711 C CG . ASN A 1 181 ? 36.276 4.488 6.205 1.00 13.40 ? 182 ASN A CG 1 ATOM 1712 O OD1 . ASN A 1 181 ? 36.023 3.461 5.591 1.00 21.29 ? 182 ASN A OD1 1 ATOM 1713 N ND2 . ASN A 1 181 ? 36.155 4.577 7.518 1.00 12.45 ? 182 ASN A ND2 1 ATOM 1714 H H . ASN A 1 181 ? 38.061 7.772 4.588 1.00 4.59 ? 182 ASN A H 1 ATOM 1715 H HD21 . ASN A 1 181 ? 35.801 3.797 7.955 1.00 12.45 ? 182 ASN A HD21 1 ATOM 1716 H HD22 . ASN A 1 181 ? 36.370 5.383 8.019 1.00 12.45 ? 182 ASN A HD22 1 ATOM 1717 N N . GLY A 1 182 ? 39.414 5.929 7.873 1.00 6.48 ? 183 GLY A N 1 ATOM 1718 C CA . GLY A 1 182 ? 40.630 5.244 8.274 1.00 7.48 ? 183 GLY A CA 1 ATOM 1719 C C . GLY A 1 182 ? 40.867 5.398 9.763 1.00 7.80 ? 183 GLY A C 1 ATOM 1720 O O . GLY A 1 182 ? 39.935 5.243 10.554 1.00 8.89 ? 183 GLY A O 1 ATOM 1721 H H . GLY A 1 182 ? 38.967 6.489 8.543 1.00 6.48 ? 183 GLY A H 1 ATOM 1722 N N . SER A 1 183 ? 42.104 5.675 10.159 1.00 6.87 ? 184 SER A N 1 ATOM 1723 C CA . SER A 1 183 ? 42.437 5.857 11.569 1.00 6.52 ? 184 SER A CA 1 ATOM 1724 C C . SER A 1 183 ? 43.133 7.214 11.643 1.00 6.07 ? 184 SER A C 1 ATOM 1725 O O . SER A 1 183 ? 44.156 7.417 10.999 1.00 5.25 ? 184 SER A O 1 ATOM 1726 C CB . SER A 1 183 ? 43.345 4.737 12.058 1.00 6.72 ? 184 SER A CB 1 ATOM 1727 O OG . SER A 1 183 ? 43.418 4.756 13.473 1.00 7.24 ? 184 SER A OG 1 ATOM 1728 H H . SER A 1 183 ? 42.815 5.758 9.487 1.00 6.87 ? 184 SER A H 1 ATOM 1729 H HG . SER A 1 183 ? 42.505 4.761 13.814 1.00 7.24 ? 184 SER A HG 1 ATOM 1730 N N . SER A 1 184 ? 42.645 8.086 12.514 1.00 5.23 ? 185 SER A N 1 ATOM 1731 C CA . SER A 1 184 ? 43.122 9.474 12.584 1.00 5.34 ? 185 SER A CA 1 ATOM 1732 C C . SER A 1 184 ? 43.798 9.920 13.895 1.00 5.70 ? 185 SER A C 1 ATOM 1733 O O . SER A 1 184 ? 43.332 9.596 14.995 1.00 6.56 ? 185 SER A O 1 ATOM 1734 C CB . SER A 1 184 ? 41.908 10.366 12.269 1.00 4.89 ? 185 SER A CB 1 ATOM 1735 O OG . SER A 1 184 ? 42.259 11.669 11.843 1.00 5.72 ? 185 SER A OG 1 ATOM 1736 H H . SER A 1 184 ? 41.978 7.808 13.163 1.00 5.23 ? 185 SER A H 1 ATOM 1737 H HG . SER A 1 184 ? 42.728 11.557 10.998 1.00 5.72 ? 185 SER A HG 1 ATOM 1738 N N . PHE A 1 185 ? 44.860 10.716 13.773 1.00 4.42 ? 186 PHE A N 1 ATOM 1739 C CA . PHE A 1 185 ? 45.613 11.197 14.934 1.00 3.23 ? 186 PHE A CA 1 ATOM 1740 C C . PHE A 1 185 ? 44.769 11.955 15.953 1.00 3.95 ? 186 PHE A C 1 ATOM 1741 O O . PHE A 1 185 ? 44.757 11.600 17.141 1.00 3.00 ? 186 PHE A O 1 ATOM 1742 C CB . PHE A 1 185 ? 46.791 12.077 14.495 1.00 4.44 ? 186 PHE A CB 1 ATOM 1743 C CG . PHE A 1 185 ? 47.575 12.658 15.644 1.00 4.41 ? 186 PHE A CG 1 ATOM 1744 C CD1 . PHE A 1 185 ? 48.519 11.891 16.319 1.00 5.09 ? 186 PHE A CD1 1 ATOM 1745 C CD2 . PHE A 1 185 ? 47.350 13.965 16.071 1.00 6.37 ? 186 PHE A CD2 1 ATOM 1746 C CE1 . PHE A 1 185 ? 49.232 12.419 17.409 1.00 3.51 ? 186 PHE A CE1 1 ATOM 1747 C CE2 . PHE A 1 185 ? 48.055 14.498 17.159 1.00 4.13 ? 186 PHE A CE2 1 ATOM 1748 C CZ . PHE A 1 185 ? 48.994 13.721 17.823 1.00 4.90 ? 186 PHE A CZ 1 ATOM 1749 H H . PHE A 1 185 ? 45.148 10.989 12.881 1.00 4.42 ? 186 PHE A H 1 ATOM 1750 N N . PHE A 1 186 ? 44.081 13.006 15.502 1.00 3.00 ? 187 PHE A N 1 ATOM 1751 C CA . PHE A 1 186 ? 43.250 13.812 16.393 1.00 3.00 ? 187 PHE A CA 1 ATOM 1752 C C . PHE A 1 186 ? 42.326 12.924 17.215 1.00 4.32 ? 187 PHE A C 1 ATOM 1753 O O . PHE A 1 186 ? 42.241 13.042 18.444 1.00 5.36 ? 187 PHE A O 1 ATOM 1754 C CB . PHE A 1 186 ? 42.417 14.809 15.580 1.00 3.00 ? 187 PHE A CB 1 ATOM 1755 C CG . PHE A 1 186 ? 41.359 15.535 16.385 1.00 4.03 ? 187 PHE A CG 1 ATOM 1756 C CD1 . PHE A 1 186 ? 41.668 16.709 17.074 1.00 4.56 ? 187 PHE A CD1 1 ATOM 1757 C CD2 . PHE A 1 186 ? 40.052 15.050 16.445 1.00 5.47 ? 187 PHE A CD2 1 ATOM 1758 C CE1 . PHE A 1 186 ? 40.692 17.396 17.816 1.00 4.65 ? 187 PHE A CE1 1 ATOM 1759 C CE2 . PHE A 1 186 ? 39.070 15.727 17.182 1.00 4.88 ? 187 PHE A CE2 1 ATOM 1760 C CZ . PHE A 1 186 ? 39.393 16.901 17.866 1.00 4.95 ? 187 PHE A CZ 1 ATOM 1761 H H . PHE A 1 186 ? 44.152 13.279 14.557 1.00 3.00 ? 187 PHE A H 1 ATOM 1762 N N . THR A 1 187 ? 41.637 12.026 16.523 1.00 3.31 ? 188 THR A N 1 ATOM 1763 C CA . THR A 1 187 ? 40.697 11.127 17.158 1.00 3.44 ? 188 THR A CA 1 ATOM 1764 C C . THR A 1 187 ? 41.338 10.246 18.230 1.00 3.69 ? 188 THR A C 1 ATOM 1765 O O . THR A 1 187 ? 40.857 10.191 19.365 1.00 4.17 ? 188 THR A O 1 ATOM 1766 C CB . THR A 1 187 ? 40.024 10.274 16.094 1.00 5.77 ? 188 THR A CB 1 ATOM 1767 O OG1 . THR A 1 187 ? 39.420 11.141 15.123 1.00 4.75 ? 188 THR A OG1 1 ATOM 1768 C CG2 . THR A 1 187 ? 38.987 9.334 16.719 1.00 3.20 ? 188 THR A CG2 1 ATOM 1769 H H . THR A 1 187 ? 41.721 11.973 15.550 1.00 3.31 ? 188 THR A H 1 ATOM 1770 H HG1 . THR A 1 187 ? 38.518 10.835 14.930 1.00 4.75 ? 188 THR A HG1 1 ATOM 1771 N N . ILE A 1 188 ? 42.435 9.580 17.875 1.00 4.36 ? 189 ILE A N 1 ATOM 1772 C CA . ILE A 1 188 ? 43.146 8.702 18.803 1.00 3.40 ? 189 ILE A CA 1 ATOM 1773 C C . ILE A 1 188 ? 43.668 9.496 20.000 1.00 3.97 ? 189 ILE A C 1 ATOM 1774 O O . ILE A 1 188 ? 43.553 9.055 21.142 1.00 5.12 ? 189 ILE A O 1 ATOM 1775 C CB . ILE A 1 188 ? 44.300 7.952 18.091 1.00 3.00 ? 189 ILE A CB 1 ATOM 1776 C CG1 . ILE A 1 188 ? 43.729 7.049 16.985 1.00 5.04 ? 189 ILE A CG1 1 ATOM 1777 C CG2 . ILE A 1 188 ? 45.106 7.126 19.077 1.00 3.00 ? 189 ILE A CG2 1 ATOM 1778 C CD1 . ILE A 1 188 ? 42.678 6.047 17.459 1.00 4.31 ? 189 ILE A CD1 1 ATOM 1779 H H . ILE A 1 188 ? 42.781 9.689 16.962 1.00 4.36 ? 189 ILE A H 1 ATOM 1780 N N . ALA A 1 189 ? 44.195 10.690 19.740 1.00 3.47 ? 190 ALA A N 1 ATOM 1781 C CA . ALA A 1 189 ? 44.715 11.542 20.805 1.00 3.37 ? 190 ALA A CA 1 ATOM 1782 C C . ALA A 1 189 ? 43.629 11.973 21.800 1.00 3.47 ? 190 ALA A C 1 ATOM 1783 O O . ALA A 1 189 ? 43.839 11.892 23.009 1.00 4.97 ? 190 ALA A O 1 ATOM 1784 C CB . ALA A 1 189 ? 45.410 12.775 20.206 1.00 3.73 ? 190 ALA A CB 1 ATOM 1785 H H . ALA A 1 189 ? 44.222 11.007 18.818 1.00 3.47 ? 190 ALA A H 1 ATOM 1786 N N . VAL A 1 190 ? 42.479 12.446 21.312 1.00 4.59 ? 191 VAL A N 1 ATOM 1787 C CA . VAL A 1 190 ? 41.409 12.877 22.222 1.00 4.02 ? 191 VAL A CA 1 ATOM 1788 C C . VAL A 1 190 ? 40.733 11.708 22.923 1.00 3.00 ? 191 VAL A C 1 ATOM 1789 O O . VAL A 1 190 ? 40.200 11.870 24.016 1.00 3.00 ? 191 VAL A O 1 ATOM 1790 C CB . VAL A 1 190 ? 40.348 13.832 21.558 1.00 3.86 ? 191 VAL A CB 1 ATOM 1791 C CG1 . VAL A 1 190 ? 41.039 15.054 20.982 1.00 4.13 ? 191 VAL A CG1 1 ATOM 1792 C CG2 . VAL A 1 190 ? 39.532 13.122 20.497 1.00 3.00 ? 191 VAL A CG2 1 ATOM 1793 H H . VAL A 1 190 ? 42.359 12.517 20.338 1.00 4.59 ? 191 VAL A H 1 ATOM 1794 N N . GLN A 1 191 ? 40.768 10.529 22.312 1.00 3.00 ? 192 GLN A N 1 ATOM 1795 C CA . GLN A 1 191 ? 40.192 9.336 22.944 1.00 3.00 ? 192 GLN A CA 1 ATOM 1796 C C . GLN A 1 191 ? 41.059 8.900 24.130 1.00 3.13 ? 192 GLN A C 1 ATOM 1797 O O . GLN A 1 191 ? 40.542 8.509 25.174 1.00 3.31 ? 192 GLN A O 1 ATOM 1798 C CB . GLN A 1 191 ? 40.058 8.201 21.936 1.00 3.00 ? 192 GLN A CB 1 ATOM 1799 C CG . GLN A 1 191 ? 38.921 8.423 20.951 1.00 3.00 ? 192 GLN A CG 1 ATOM 1800 C CD . GLN A 1 191 ? 38.859 7.322 19.904 1.00 6.40 ? 192 GLN A CD 1 ATOM 1801 O OE1 . GLN A 1 191 ? 39.886 6.758 19.526 1.00 3.98 ? 192 GLN A OE1 1 ATOM 1802 N NE2 . GLN A 1 191 ? 37.656 7.006 19.438 1.00 3.46 ? 192 GLN A NE2 1 ATOM 1803 H H . GLN A 1 191 ? 41.162 10.453 21.412 1.00 3.00 ? 192 GLN A H 1 ATOM 1804 H HE21 . GLN A 1 191 ? 37.611 6.293 18.768 1.00 3.46 ? 192 GLN A HE21 1 ATOM 1805 H HE22 . GLN A 1 191 ? 36.871 7.495 19.778 1.00 3.46 ? 192 GLN A HE22 1 ATOM 1806 N N . HIS A 1 192 ? 42.379 8.957 23.968 1.00 3.38 ? 193 HIS A N 1 ATOM 1807 C CA . HIS A 1 192 ? 43.301 8.599 25.053 1.00 4.17 ? 193 HIS A CA 1 ATOM 1808 C C . HIS A 1 192 ? 43.045 9.543 26.219 1.00 4.28 ? 193 HIS A C 1 ATOM 1809 O O . HIS A 1 192 ? 42.933 9.112 27.365 1.00 5.65 ? 193 HIS A O 1 ATOM 1810 C CB . HIS A 1 192 ? 44.766 8.755 24.607 1.00 4.24 ? 193 HIS A CB 1 ATOM 1811 C CG . HIS A 1 192 ? 45.764 8.630 25.724 1.00 5.35 ? 193 HIS A CG 1 ATOM 1812 N ND1 . HIS A 1 192 ? 46.538 9.687 26.154 1.00 5.23 ? 193 HIS A ND1 1 ATOM 1813 C CD2 . HIS A 1 192 ? 46.100 7.574 26.505 1.00 4.39 ? 193 HIS A CD2 1 ATOM 1814 C CE1 . HIS A 1 192 ? 47.306 9.290 27.157 1.00 4.18 ? 193 HIS A CE1 1 ATOM 1815 N NE2 . HIS A 1 192 ? 47.059 8.016 27.388 1.00 5.32 ? 193 HIS A NE2 1 ATOM 1816 H H . HIS A 1 192 ? 42.735 9.212 23.089 1.00 3.38 ? 193 HIS A H 1 ATOM 1817 H HD1 . HIS A 1 192 ? 46.542 10.594 25.783 1.00 5.23 ? 193 HIS A HD1 1 ATOM 1818 H HE2 . HIS A 1 192 ? 47.506 7.497 28.086 1.00 5.32 ? 193 HIS A HE2 1 ATOM 1819 N N . ARG A 1 193 ? 42.964 10.837 25.924 1.00 3.33 ? 194 ARG A N 1 ATOM 1820 C CA . ARG A 1 193 ? 42.731 11.817 26.969 1.00 4.02 ? 194 ARG A CA 1 ATOM 1821 C C . ARG A 1 193 ? 41.441 11.524 27.727 1.00 3.88 ? 194 ARG A C 1 ATOM 1822 O O . ARG A 1 193 ? 41.426 11.489 28.965 1.00 3.74 ? 194 ARG A O 1 ATOM 1823 C CB . ARG A 1 193 ? 42.679 13.242 26.396 1.00 3.96 ? 194 ARG A CB 1 ATOM 1824 C CG . ARG A 1 193 ? 42.205 14.262 27.438 1.00 3.62 ? 194 ARG A CG 1 ATOM 1825 C CD . ARG A 1 193 ? 41.975 15.685 26.915 1.00 5.35 ? 194 ARG A CD 1 ATOM 1826 N NE . ARG A 1 193 ? 41.337 16.434 27.994 1.00 3.69 ? 194 ARG A NE 1 ATOM 1827 C CZ . ARG A 1 193 ? 41.474 17.728 28.235 1.00 4.25 ? 194 ARG A CZ 1 ATOM 1828 N NH1 . ARG A 1 193 ? 42.231 18.485 27.452 1.00 3.60 ? 194 ARG A NH1 1 ATOM 1829 N NH2 . ARG A 1 193 ? 40.897 18.238 29.319 1.00 3.00 ? 194 ARG A NH2 1 ATOM 1830 H H . ARG A 1 193 ? 43.070 11.134 24.995 1.00 3.33 ? 194 ARG A H 1 ATOM 1831 H HE . ARG A 1 193 ? 40.789 15.929 28.615 1.00 3.69 ? 194 ARG A HE 1 ATOM 1832 H HH11 . ARG A 1 193 ? 42.687 18.109 26.644 1.00 3.60 ? 194 ARG A HH11 1 ATOM 1833 H HH12 . ARG A 1 193 ? 42.332 19.459 27.655 1.00 3.60 ? 194 ARG A HH12 1 ATOM 1834 H HH21 . ARG A 1 193 ? 40.374 17.649 29.943 1.00 3.00 ? 194 ARG A HH21 1 ATOM 1835 H HH22 . ARG A 1 193 ? 40.993 19.210 29.549 1.00 3.00 ? 194 ARG A HH22 1 ATOM 1836 N N . ALA A 1 194 ? 40.363 11.291 26.981 1.00 3.11 ? 195 ALA A N 1 ATOM 1837 C CA . ALA A 1 194 ? 39.053 11.037 27.585 1.00 4.08 ? 195 ALA A CA 1 ATOM 1838 C C . ALA A 1 194 ? 39.058 9.858 28.550 1.00 4.45 ? 195 ALA A C 1 ATOM 1839 O O . ALA A 1 194 ? 38.528 9.959 29.661 1.00 5.04 ? 195 ALA A O 1 ATOM 1840 C CB . ALA A 1 194 ? 37.987 10.845 26.494 1.00 3.06 ? 195 ALA A CB 1 ATOM 1841 H H . ALA A 1 194 ? 40.439 11.294 26.005 1.00 3.11 ? 195 ALA A H 1 ATOM 1842 N N . LEU A 1 195 ? 39.677 8.753 28.158 1.00 4.46 ? 196 LEU A N 1 ATOM 1843 C CA . LEU A 1 195 ? 39.722 7.598 29.049 1.00 6.26 ? 196 LEU A CA 1 ATOM 1844 C C . LEU A 1 195 ? 40.492 7.885 30.336 1.00 6.97 ? 196 LEU A C 1 ATOM 1845 O O . LEU A 1 195 ? 40.079 7.458 31.418 1.00 7.11 ? 196 LEU A O 1 ATOM 1846 C CB . LEU A 1 195 ? 40.295 6.372 28.348 1.00 4.52 ? 196 LEU A CB 1 ATOM 1847 C CG . LEU A 1 195 ? 39.467 5.808 27.191 1.00 5.27 ? 196 LEU A CG 1 ATOM 1848 C CD1 . LEU A 1 195 ? 40.102 4.491 26.744 1.00 3.16 ? 196 LEU A CD1 1 ATOM 1849 C CD2 . LEU A 1 195 ? 38.018 5.572 27.606 1.00 3.86 ? 196 LEU A CD2 1 ATOM 1850 H H . LEU A 1 195 ? 40.104 8.708 27.270 1.00 4.46 ? 196 LEU A H 1 ATOM 1851 N N . VAL A 1 196 ? 41.590 8.628 30.226 1.00 6.20 ? 197 VAL A N 1 ATOM 1852 C CA . VAL A 1 196 ? 42.393 8.977 31.395 1.00 5.19 ? 197 VAL A CA 1 ATOM 1853 C C . VAL A 1 196 ? 41.622 9.856 32.392 1.00 6.11 ? 197 VAL A C 1 ATOM 1854 O O . VAL A 1 196 ? 41.532 9.519 33.582 1.00 4.96 ? 197 VAL A O 1 ATOM 1855 C CB . VAL A 1 196 ? 43.723 9.649 30.983 1.00 3.13 ? 197 VAL A CB 1 ATOM 1856 C CG1 . VAL A 1 196 ? 44.507 10.122 32.219 1.00 4.32 ? 197 VAL A CG1 1 ATOM 1857 C CG2 . VAL A 1 196 ? 44.557 8.651 30.193 1.00 3.39 ? 197 VAL A CG2 1 ATOM 1858 H H . VAL A 1 196 ? 41.869 8.943 29.338 1.00 6.20 ? 197 VAL A H 1 ATOM 1859 N N . GLU A 1 197 ? 41.050 10.970 31.934 1.00 4.99 ? 198 GLU A N 1 ATOM 1860 C CA . GLU A 1 197 ? 40.316 11.814 32.871 1.00 6.69 ? 198 GLU A CA 1 ATOM 1861 C C . GLU A 1 197 ? 38.986 11.181 33.273 1.00 6.16 ? 198 GLU A C 1 ATOM 1862 O O . GLU A 1 197 ? 38.464 11.457 34.349 1.00 6.92 ? 198 GLU A O 1 ATOM 1863 C CB . GLU A 1 197 ? 40.168 13.271 32.374 1.00 9.75 ? 198 GLU A CB 1 ATOM 1864 C CG . GLU A 1 197 ? 39.559 13.434 31.023 1.00 8.56 ? 198 GLU A CG 1 ATOM 1865 C CD . GLU A 1 197 ? 39.531 14.879 30.521 1.00 8.06 ? 198 GLU A CD 1 ATOM 1866 O OE1 . GLU A 1 197 ? 39.723 15.846 31.276 1.00 7.59 ? 198 GLU A OE1 1 ATOM 1867 O OE2 . GLU A 1 197 ? 39.281 15.051 29.324 1.00 8.64 ? 198 GLU A OE2 1 ATOM 1868 H H . GLU A 1 197 ? 41.121 11.218 30.984 1.00 4.99 ? 198 GLU A H 1 ATOM 1869 N N . GLY A 1 198 ? 38.508 10.244 32.456 1.00 6.35 ? 199 GLY A N 1 ATOM 1870 C CA . GLY A 1 198 ? 37.279 9.540 32.758 1.00 5.44 ? 199 GLY A CA 1 ATOM 1871 C C . GLY A 1 198 ? 37.492 8.604 33.941 1.00 6.96 ? 199 GLY A C 1 ATOM 1872 O O . GLY A 1 198 ? 36.634 8.477 34.810 1.00 5.41 ? 199 GLY A O 1 ATOM 1873 H H . GLY A 1 198 ? 38.965 10.035 31.611 1.00 6.35 ? 199 GLY A H 1 ATOM 1874 N N . SER A 1 199 ? 38.637 7.934 33.981 1.00 6.34 ? 200 SER A N 1 ATOM 1875 C CA . SER A 1 199 ? 38.931 7.045 35.090 1.00 8.91 ? 200 SER A CA 1 ATOM 1876 C C . SER A 1 199 ? 39.075 7.856 36.388 1.00 7.41 ? 200 SER A C 1 ATOM 1877 O O . SER A 1 199 ? 38.577 7.460 37.434 1.00 9.35 ? 200 SER A O 1 ATOM 1878 C CB . SER A 1 199 ? 40.207 6.261 34.821 1.00 8.78 ? 200 SER A CB 1 ATOM 1879 O OG . SER A 1 199 ? 40.501 5.449 35.936 1.00 14.46 ? 200 SER A OG 1 ATOM 1880 H H . SER A 1 199 ? 39.280 8.011 33.243 1.00 6.34 ? 200 SER A H 1 ATOM 1881 H HG . SER A 1 199 ? 39.998 4.622 35.876 1.00 14.46 ? 200 SER A HG 1 ATOM 1882 N N . ALA A 1 200 ? 39.741 9.000 36.312 1.00 5.73 ? 201 ALA A N 1 ATOM 1883 C CA . ALA A 1 200 ? 39.905 9.840 37.483 1.00 5.37 ? 201 ALA A CA 1 ATOM 1884 C C . ALA A 1 200 ? 38.548 10.314 38.002 1.00 6.23 ? 201 ALA A C 1 ATOM 1885 O O . ALA A 1 200 ? 38.303 10.300 39.213 1.00 5.98 ? 201 ALA A O 1 ATOM 1886 C CB . ALA A 1 200 ? 40.797 11.028 37.167 1.00 4.26 ? 201 ALA A CB 1 ATOM 1887 H H . ALA A 1 200 ? 40.148 9.277 35.461 1.00 5.73 ? 201 ALA A H 1 ATOM 1888 N N . PHE A 1 201 ? 37.665 10.726 37.094 1.00 4.92 ? 202 PHE A N 1 ATOM 1889 C CA . PHE A 1 201 ? 36.330 11.183 37.487 1.00 4.22 ? 202 PHE A CA 1 ATOM 1890 C C . PHE A 1 201 ? 35.512 10.027 38.096 1.00 5.67 ? 202 PHE A C 1 ATOM 1891 O O . PHE A 1 201 ? 34.843 10.206 39.109 1.00 5.99 ? 202 PHE A O 1 ATOM 1892 C CB . PHE A 1 201 ? 35.603 11.788 36.275 1.00 4.17 ? 202 PHE A CB 1 ATOM 1893 C CG . PHE A 1 201 ? 34.264 12.387 36.600 1.00 5.37 ? 202 PHE A CG 1 ATOM 1894 C CD1 . PHE A 1 201 ? 34.154 13.453 37.491 1.00 5.84 ? 202 PHE A CD1 1 ATOM 1895 C CD2 . PHE A 1 201 ? 33.103 11.879 36.022 1.00 6.05 ? 202 PHE A CD2 1 ATOM 1896 C CE1 . PHE A 1 201 ? 32.910 13.998 37.805 1.00 6.23 ? 202 PHE A CE1 1 ATOM 1897 C CE2 . PHE A 1 201 ? 31.854 12.419 36.331 1.00 6.93 ? 202 PHE A CE2 1 ATOM 1898 C CZ . PHE A 1 201 ? 31.754 13.475 37.221 1.00 6.60 ? 202 PHE A CZ 1 ATOM 1899 H H . PHE A 1 201 ? 37.922 10.741 36.150 1.00 4.92 ? 202 PHE A H 1 ATOM 1900 N N . ALA A 1 202 ? 35.564 8.843 37.487 1.00 5.25 ? 203 ALA A N 1 ATOM 1901 C CA . ALA A 1 202 ? 34.833 7.688 38.010 1.00 4.34 ? 203 ALA A CA 1 ATOM 1902 C C . ALA A 1 202 ? 35.255 7.410 39.462 1.00 6.25 ? 203 ALA A C 1 ATOM 1903 O O . ALA A 1 202 ? 34.416 7.198 40.339 1.00 5.58 ? 203 ALA A O 1 ATOM 1904 C CB . ALA A 1 202 ? 35.088 6.463 37.139 1.00 3.00 ? 203 ALA A CB 1 ATOM 1905 H H . ALA A 1 202 ? 36.092 8.745 36.666 1.00 5.25 ? 203 ALA A H 1 ATOM 1906 N N . THR A 1 203 ? 36.552 7.423 39.722 1.00 4.75 ? 204 THR A N 1 ATOM 1907 C CA . THR A 1 203 ? 37.033 7.189 41.070 1.00 9.09 ? 204 THR A CA 1 ATOM 1908 C C . THR A 1 203 ? 36.506 8.270 42.030 1.00 10.29 ? 204 THR A C 1 ATOM 1909 O O . THR A 1 203 ? 36.075 7.974 43.162 1.00 11.06 ? 204 THR A O 1 ATOM 1910 C CB . THR A 1 203 ? 38.571 7.157 41.086 1.00 9.89 ? 204 THR A CB 1 ATOM 1911 O OG1 . THR A 1 203 ? 39.021 6.065 40.274 1.00 13.36 ? 204 THR A OG1 1 ATOM 1912 C CG2 . THR A 1 203 ? 39.092 6.971 42.492 1.00 11.29 ? 204 THR A CG2 1 ATOM 1913 H H . THR A 1 203 ? 37.223 7.574 39.017 1.00 4.75 ? 204 THR A H 1 ATOM 1914 H HG1 . THR A 1 203 ? 38.685 5.237 40.658 1.00 13.36 ? 204 THR A HG1 1 ATOM 1915 N N . ALA A 1 204 ? 36.484 9.511 41.554 1.00 9.37 ? 205 ALA A N 1 ATOM 1916 C CA . ALA A 1 204 ? 36.023 10.648 42.353 1.00 8.39 ? 205 ALA A CA 1 ATOM 1917 C C . ALA A 1 204 ? 34.565 10.557 42.788 1.00 9.26 ? 205 ALA A C 1 ATOM 1918 O O . ALA A 1 204 ? 34.210 11.018 43.871 1.00 11.67 ? 205 ALA A O 1 ATOM 1919 C CB . ALA A 1 204 ? 36.251 11.947 41.601 1.00 7.01 ? 205 ALA A CB 1 ATOM 1920 H H . ALA A 1 204 ? 36.809 9.691 40.648 1.00 9.37 ? 205 ALA A H 1 ATOM 1921 N N . VAL A 1 205 ? 33.712 9.965 41.960 1.00 9.30 ? 206 VAL A N 1 ATOM 1922 C CA . VAL A 1 205 ? 32.303 9.853 42.323 1.00 8.95 ? 206 VAL A CA 1 ATOM 1923 C C . VAL A 1 205 ? 32.002 8.526 43.027 1.00 9.71 ? 206 VAL A C 1 ATOM 1924 O O . VAL A 1 205 ? 30.841 8.189 43.242 1.00 11.02 ? 206 VAL A O 1 ATOM 1925 C CB . VAL A 1 205 ? 31.360 10.068 41.103 1.00 6.32 ? 206 VAL A CB 1 ATOM 1926 C CG1 . VAL A 1 205 ? 31.730 11.350 40.386 1.00 5.00 ? 206 VAL A CG1 1 ATOM 1927 C CG2 . VAL A 1 205 ? 31.405 8.891 40.151 1.00 4.90 ? 206 VAL A CG2 1 ATOM 1928 H H . VAL A 1 205 ? 34.036 9.633 41.095 1.00 9.30 ? 206 VAL A H 1 ATOM 1929 N N . GLY A 1 206 ? 33.058 7.797 43.394 1.00 9.88 ? 207 GLY A N 1 ATOM 1930 C CA . GLY A 1 206 ? 32.909 6.519 44.082 1.00 10.60 ? 207 GLY A CA 1 ATOM 1931 C C . GLY A 1 206 ? 32.617 5.316 43.201 1.00 10.04 ? 207 GLY A C 1 ATOM 1932 O O . GLY A 1 206 ? 32.108 4.297 43.671 1.00 11.34 ? 207 GLY A O 1 ATOM 1933 H H . GLY A 1 206 ? 33.968 8.115 43.217 1.00 9.88 ? 207 GLY A H 1 ATOM 1934 N N . SER A 1 207 ? 32.927 5.421 41.920 1.00 9.41 ? 208 SER A N 1 ATOM 1935 C CA . SER A 1 207 ? 32.675 4.319 41.012 1.00 8.50 ? 208 SER A CA 1 ATOM 1936 C C . SER A 1 207 ? 34.018 3.871 40.413 1.00 9.89 ? 208 SER A C 1 ATOM 1937 O O . SER A 1 207 ? 35.079 4.046 41.026 1.00 8.06 ? 208 SER A O 1 ATOM 1938 C CB . SER A 1 207 ? 31.671 4.756 39.938 1.00 9.36 ? 208 SER A CB 1 ATOM 1939 O OG . SER A 1 207 ? 31.233 3.675 39.129 1.00 10.45 ? 208 SER A OG 1 ATOM 1940 H H . SER A 1 207 ? 33.366 6.234 41.603 1.00 9.41 ? 208 SER A H 1 ATOM 1941 H HG . SER A 1 207 ? 30.590 4.031 38.495 1.00 10.45 ? 208 SER A HG 1 ATOM 1942 N N . SER A 1 208 ? 33.982 3.302 39.215 1.00 9.82 ? 209 SER A N 1 ATOM 1943 C CA . SER A 1 208 ? 35.198 2.832 38.570 1.00 9.18 ? 209 SER A CA 1 ATOM 1944 C C . SER A 1 208 ? 35.026 2.748 37.055 1.00 8.77 ? 209 SER A C 1 ATOM 1945 O O . SER A 1 208 ? 33.908 2.718 36.533 1.00 6.92 ? 209 SER A O 1 ATOM 1946 C CB . SER A 1 208 ? 35.536 1.434 39.096 1.00 9.79 ? 209 SER A CB 1 ATOM 1947 O OG . SER A 1 208 ? 34.451 0.548 38.830 1.00 11.12 ? 209 SER A OG 1 ATOM 1948 H H . SER A 1 208 ? 33.139 3.176 38.728 1.00 9.82 ? 209 SER A H 1 ATOM 1949 H HG . SER A 1 208 ? 33.777 0.667 39.522 1.00 11.12 ? 209 SER A HG 1 ATOM 1950 N N . CYS A 1 209 ? 36.145 2.691 36.354 1.00 8.42 ? 210 CYS A N 1 ATOM 1951 C CA . CYS A 1 209 ? 36.118 2.561 34.914 1.00 8.29 ? 210 CYS A CA 1 ATOM 1952 C C . CYS A 1 209 ? 37.263 1.642 34.524 1.00 7.36 ? 210 CYS A C 1 ATOM 1953 O O . CYS A 1 209 ? 38.321 2.101 34.075 1.00 7.21 ? 210 CYS A O 1 ATOM 1954 C CB . CYS A 1 209 ? 36.244 3.931 34.228 1.00 7.20 ? 210 CYS A CB 1 ATOM 1955 S SG . CYS A 1 209 ? 36.008 3.782 32.437 1.00 6.17 ? 210 CYS A SG 1 ATOM 1956 H H . CYS A 1 209 ? 37.021 2.767 36.801 1.00 8.42 ? 210 CYS A H 1 ATOM 1957 N N . SER A 1 210 ? 37.063 0.342 34.736 1.00 6.37 ? 211 SER A N 1 ATOM 1958 C CA . SER A 1 210 ? 38.089 -0.650 34.408 1.00 6.59 ? 211 SER A CA 1 ATOM 1959 C C . SER A 1 210 ? 38.470 -0.578 32.936 1.00 5.24 ? 211 SER A C 1 ATOM 1960 O O . SER A 1 210 ? 39.652 -0.666 32.604 1.00 5.76 ? 211 SER A O 1 ATOM 1961 C CB . SER A 1 210 ? 37.614 -2.058 34.753 1.00 7.00 ? 211 SER A CB 1 ATOM 1962 O OG . SER A 1 210 ? 36.494 -2.405 33.956 1.00 7.64 ? 211 SER A OG 1 ATOM 1963 H H . SER A 1 210 ? 36.219 0.035 35.137 1.00 6.37 ? 211 SER A H 1 ATOM 1964 H HG . SER A 1 210 ? 35.717 -2.200 34.503 1.00 7.64 ? 211 SER A HG 1 ATOM 1965 N N . TRP A 1 211 ? 37.478 -0.360 32.065 1.00 4.58 ? 212 TRP A N 1 ATOM 1966 C CA . TRP A 1 211 ? 37.729 -0.256 30.623 1.00 6.08 ? 212 TRP A CA 1 ATOM 1967 C C . TRP A 1 211 ? 38.559 0.984 30.257 1.00 5.23 ? 212 TRP A C 1 ATOM 1968 O O . TRP A 1 211 ? 39.301 0.951 29.291 1.00 6.31 ? 212 TRP A O 1 ATOM 1969 C CB . TRP A 1 211 ? 36.425 -0.352 29.801 1.00 6.57 ? 212 TRP A CB 1 ATOM 1970 C CG . TRP A 1 211 ? 35.341 0.667 30.146 1.00 8.60 ? 212 TRP A CG 1 ATOM 1971 C CD1 . TRP A 1 211 ? 35.103 1.862 29.519 1.00 6.98 ? 212 TRP A CD1 1 ATOM 1972 C CD2 . TRP A 1 211 ? 34.370 0.569 31.200 1.00 6.20 ? 212 TRP A CD2 1 ATOM 1973 N NE1 . TRP A 1 211 ? 34.053 2.511 30.121 1.00 8.05 ? 212 TRP A NE1 1 ATOM 1974 C CE2 . TRP A 1 211 ? 33.584 1.741 31.153 1.00 7.79 ? 212 TRP A CE2 1 ATOM 1975 C CE3 . TRP A 1 211 ? 34.086 -0.395 32.177 1.00 7.49 ? 212 TRP A CE3 1 ATOM 1976 C CZ2 . TRP A 1 211 ? 32.543 1.979 32.055 1.00 8.16 ? 212 TRP A CZ2 1 ATOM 1977 C CZ3 . TRP A 1 211 ? 33.053 -0.160 33.070 1.00 7.20 ? 212 TRP A CZ3 1 ATOM 1978 C CH2 . TRP A 1 211 ? 32.291 1.015 33.001 1.00 9.04 ? 212 TRP A CH2 1 ATOM 1979 H H . TRP A 1 211 ? 36.563 -0.322 32.401 1.00 4.58 ? 212 TRP A H 1 ATOM 1980 H HE1 . TRP A 1 211 ? 33.714 3.393 29.850 1.00 8.05 ? 212 TRP A HE1 1 ATOM 1981 N N . CYS A 1 212 ? 38.439 2.062 31.027 1.00 4.55 ? 213 CYS A N 1 ATOM 1982 C CA . CYS A 1 212 ? 39.255 3.253 30.793 1.00 5.34 ? 213 CYS A CA 1 ATOM 1983 C C . CYS A 1 212 ? 40.690 2.852 31.089 1.00 6.71 ? 213 CYS A C 1 ATOM 1984 O O . CYS A 1 212 ? 41.612 3.180 30.343 1.00 5.02 ? 213 CYS A O 1 ATOM 1985 C CB . CYS A 1 212 ? 38.926 4.351 31.796 1.00 4.84 ? 213 CYS A CB 1 ATOM 1986 S SG . CYS A 1 212 ? 37.302 5.128 31.642 1.00 8.53 ? 213 CYS A SG 1 ATOM 1987 H H . CYS A 1 212 ? 37.786 2.074 31.762 1.00 4.55 ? 213 CYS A H 1 ATOM 1988 N N . ASP A 1 213 ? 40.864 2.160 32.212 1.00 8.57 ? 214 ASP A N 1 ATOM 1989 C CA . ASP A 1 213 ? 42.179 1.734 32.684 1.00 7.81 ? 214 ASP A CA 1 ATOM 1990 C C . ASP A 1 213 ? 42.940 0.775 31.795 1.00 8.42 ? 214 ASP A C 1 ATOM 1991 O O . ASP A 1 213 ? 44.152 0.939 31.599 1.00 8.28 ? 214 ASP A O 1 ATOM 1992 C CB . ASP A 1 213 ? 42.091 1.140 34.095 1.00 10.55 ? 214 ASP A CB 1 ATOM 1993 C CG . ASP A 1 213 ? 41.666 2.156 35.132 1.00 12.02 ? 214 ASP A CG 1 ATOM 1994 O OD1 . ASP A 1 213 ? 41.831 3.368 34.898 1.00 11.84 ? 214 ASP A OD1 1 ATOM 1995 O OD2 . ASP A 1 213 ? 41.160 1.744 36.192 1.00 14.79 ? 214 ASP A OD2 1 ATOM 1996 H H . ASP A 1 213 ? 40.082 1.949 32.764 1.00 8.57 ? 214 ASP A H 1 ATOM 1997 N N . SER A 1 214 ? 42.264 -0.236 31.272 1.00 6.22 ? 215 SER A N 1 ATOM 1998 C CA . SER A 1 214 ? 42.951 -1.188 30.419 1.00 5.77 ? 215 SER A CA 1 ATOM 1999 C C . SER A 1 214 ? 43.225 -0.635 29.027 1.00 7.74 ? 215 SER A C 1 ATOM 2000 O O . SER A 1 214 ? 44.282 -0.897 28.454 1.00 8.06 ? 215 SER A O 1 ATOM 2001 C CB . SER A 1 214 ? 42.146 -2.479 30.311 1.00 7.67 ? 215 SER A CB 1 ATOM 2002 O OG . SER A 1 214 ? 40.931 -2.258 29.621 1.00 5.09 ? 215 SER A OG 1 ATOM 2003 H H . SER A 1 214 ? 41.312 -0.356 31.456 1.00 6.22 ? 215 SER A H 1 ATOM 2004 H HG . SER A 1 214 ? 40.374 -3.024 29.811 1.00 5.09 ? 215 SER A HG 1 ATOM 2005 N N . GLN A 1 215 ? 42.311 0.178 28.504 1.00 6.39 ? 216 GLN A N 1 ATOM 2006 C CA . GLN A 1 215 ? 42.485 0.700 27.156 1.00 4.67 ? 216 GLN A CA 1 ATOM 2007 C C . GLN A 1 215 ? 43.367 1.933 26.960 1.00 3.96 ? 216 GLN A C 1 ATOM 2008 O O . GLN A 1 215 ? 44.051 2.034 25.942 1.00 7.12 ? 216 GLN A O 1 ATOM 2009 C CB . GLN A 1 215 ? 41.131 0.900 26.469 1.00 3.73 ? 216 GLN A CB 1 ATOM 2010 C CG . GLN A 1 215 ? 40.284 -0.371 26.387 1.00 5.53 ? 216 GLN A CG 1 ATOM 2011 C CD . GLN A 1 215 ? 41.061 -1.559 25.838 1.00 8.16 ? 216 GLN A CD 1 ATOM 2012 O OE1 . GLN A 1 215 ? 41.368 -1.623 24.643 1.00 4.81 ? 216 GLN A OE1 1 ATOM 2013 N NE2 . GLN A 1 215 ? 41.378 -2.506 26.708 1.00 6.28 ? 216 GLN A NE2 1 ATOM 2014 H H . GLN A 1 215 ? 41.500 0.405 29.013 1.00 6.39 ? 216 GLN A H 1 ATOM 2015 H HE21 . GLN A 1 215 ? 41.866 -3.288 26.399 1.00 6.28 ? 216 GLN A HE21 1 ATOM 2016 H HE22 . GLN A 1 215 ? 41.092 -2.370 27.641 1.00 6.28 ? 216 GLN A HE22 1 ATOM 2017 N N . ALA A 1 216 ? 43.395 2.855 27.920 1.00 4.41 ? 217 ALA A N 1 ATOM 2018 C CA . ALA A 1 216 ? 44.205 4.070 27.756 1.00 4.97 ? 217 ALA A CA 1 ATOM 2019 C C . ALA A 1 216 ? 45.667 3.806 27.343 1.00 4.96 ? 217 ALA A C 1 ATOM 2020 O O . ALA A 1 216 ? 46.126 4.361 26.334 1.00 5.51 ? 217 ALA A O 1 ATOM 2021 C CB . ALA A 1 216 ? 44.122 4.979 29.020 1.00 3.69 ? 217 ALA A CB 1 ATOM 2022 H H . ALA A 1 216 ? 42.869 2.740 28.743 1.00 4.41 ? 217 ALA A H 1 ATOM 2023 N N . PRO A 1 217 ? 46.396 2.918 28.065 1.00 6.61 ? 218 PRO A N 1 ATOM 2024 C CA . PRO A 1 217 ? 47.795 2.636 27.702 1.00 6.42 ? 218 PRO A CA 1 ATOM 2025 C C . PRO A 1 217 ? 47.928 2.044 26.295 1.00 6.92 ? 218 PRO A C 1 ATOM 2026 O O . PRO A 1 217 ? 48.911 2.316 25.607 1.00 6.26 ? 218 PRO A O 1 ATOM 2027 C CB . PRO A 1 217 ? 48.237 1.626 28.762 1.00 8.60 ? 218 PRO A CB 1 ATOM 2028 C CG . PRO A 1 217 ? 47.402 1.971 29.939 1.00 8.49 ? 218 PRO A CG 1 ATOM 2029 C CD . PRO A 1 217 ? 46.043 2.206 29.307 1.00 6.15 ? 218 PRO A CD 1 ATOM 2030 N N . GLN A 1 218 ? 46.943 1.255 25.864 1.00 5.58 ? 219 GLN A N 1 ATOM 2031 C CA . GLN A 1 218 ? 46.972 0.654 24.526 1.00 7.19 ? 219 GLN A CA 1 ATOM 2032 C C . GLN A 1 218 ? 46.705 1.684 23.427 1.00 7.65 ? 219 GLN A C 1 ATOM 2033 O O . GLN A 1 218 ? 47.224 1.563 22.315 1.00 6.06 ? 219 GLN A O 1 ATOM 2034 C CB . GLN A 1 218 ? 45.983 -0.515 24.414 1.00 9.53 ? 219 GLN A CB 1 ATOM 2035 C CG . GLN A 1 218 ? 46.433 -1.753 25.166 1.00 13.11 ? 219 GLN A CG 1 ATOM 2036 C CD . GLN A 1 218 ? 47.826 -2.172 24.757 1.00 14.56 ? 219 GLN A CD 1 ATOM 2037 O OE1 . GLN A 1 218 ? 48.188 -2.091 23.584 1.00 15.50 ? 219 GLN A OE1 1 ATOM 2038 N NE2 . GLN A 1 218 ? 48.625 -2.601 25.720 1.00 19.67 ? 219 GLN A NE2 1 ATOM 2039 H H . GLN A 1 218 ? 46.179 1.076 26.453 1.00 5.58 ? 219 GLN A H 1 ATOM 2040 H HE21 . GLN A 1 218 ? 49.539 -2.858 25.493 1.00 19.67 ? 219 GLN A HE21 1 ATOM 2041 H HE22 . GLN A 1 218 ? 48.293 -2.653 26.642 1.00 19.67 ? 219 GLN A HE22 1 ATOM 2042 N N . ILE A 1 219 ? 45.862 2.670 23.722 1.00 5.61 ? 220 ILE A N 1 ATOM 2043 C CA . ILE A 1 219 ? 45.584 3.729 22.760 1.00 4.22 ? 220 ILE A CA 1 ATOM 2044 C C . ILE A 1 219 ? 46.870 4.556 22.640 1.00 4.01 ? 220 ILE A C 1 ATOM 2045 O O . ILE A 1 219 ? 47.315 4.874 21.531 1.00 3.34 ? 220 ILE A O 1 ATOM 2046 C CB . ILE A 1 219 ? 44.433 4.629 23.231 1.00 4.88 ? 220 ILE A CB 1 ATOM 2047 C CG1 . ILE A 1 219 ? 43.131 3.832 23.243 1.00 6.80 ? 220 ILE A CG1 1 ATOM 2048 C CG2 . ILE A 1 219 ? 44.275 5.834 22.307 1.00 3.00 ? 220 ILE A CG2 1 ATOM 2049 C CD1 . ILE A 1 219 ? 41.951 4.638 23.719 1.00 5.58 ? 220 ILE A CD1 1 ATOM 2050 H H . ILE A 1 219 ? 45.414 2.678 24.590 1.00 5.61 ? 220 ILE A H 1 ATOM 2051 N N . LEU A 1 220 ? 47.487 4.868 23.778 1.00 3.00 ? 221 LEU A N 1 ATOM 2052 C CA . LEU A 1 220 ? 48.737 5.625 23.777 1.00 4.71 ? 221 LEU A CA 1 ATOM 2053 C C . LEU A 1 220 ? 49.833 4.872 23.009 1.00 4.99 ? 221 LEU A C 1 ATOM 2054 O O . LEU A 1 220 ? 50.589 5.477 22.255 1.00 5.82 ? 221 LEU A O 1 ATOM 2055 C CB . LEU A 1 220 ? 49.207 5.906 25.200 1.00 4.51 ? 221 LEU A CB 1 ATOM 2056 C CG . LEU A 1 220 ? 50.501 6.724 25.320 1.00 7.68 ? 221 LEU A CG 1 ATOM 2057 C CD1 . LEU A 1 220 ? 50.318 8.109 24.713 1.00 6.04 ? 221 LEU A CD1 1 ATOM 2058 C CD2 . LEU A 1 220 ? 50.895 6.847 26.786 1.00 8.93 ? 221 LEU A CD2 1 ATOM 2059 H H . LEU A 1 220 ? 47.094 4.596 24.634 1.00 3.00 ? 221 LEU A H 1 ATOM 2060 N N . CYS A 1 221 ? 49.876 3.550 23.159 1.00 5.54 ? 222 CYS A N 1 ATOM 2061 C CA . CYS A 1 221 ? 50.862 2.714 22.467 1.00 6.51 ? 222 CYS A CA 1 ATOM 2062 C C . CYS A 1 221 ? 50.678 2.893 20.956 1.00 8.43 ? 222 CYS A C 1 ATOM 2063 O O . CYS A 1 221 ? 51.646 3.127 20.223 1.00 6.28 ? 222 CYS A O 1 ATOM 2064 C CB . CYS A 1 221 ? 50.670 1.246 22.845 1.00 8.84 ? 222 CYS A CB 1 ATOM 2065 S SG . CYS A 1 221 ? 52.134 0.201 22.569 1.00 12.37 ? 222 CYS A SG 1 ATOM 2066 H H . CYS A 1 221 ? 49.241 3.124 23.774 1.00 5.54 ? 222 CYS A H 1 ATOM 2067 N N . TYR A 1 222 ? 49.423 2.824 20.509 1.00 6.66 ? 223 TYR A N 1 ATOM 2068 C CA . TYR A 1 222 ? 49.081 2.995 19.097 1.00 5.67 ? 223 TYR A CA 1 ATOM 2069 C C . TYR A 1 222 ? 49.377 4.418 18.598 1.00 6.19 ? 223 TYR A C 1 ATOM 2070 O O . TYR A 1 222 ? 49.817 4.610 17.457 1.00 7.07 ? 223 TYR A O 1 ATOM 2071 C CB . TYR A 1 222 ? 47.595 2.670 18.885 1.00 3.68 ? 223 TYR A CB 1 ATOM 2072 C CG . TYR A 1 222 ? 47.119 2.883 17.474 1.00 3.62 ? 223 TYR A CG 1 ATOM 2073 C CD1 . TYR A 1 222 ? 47.905 2.489 16.379 1.00 3.74 ? 223 TYR A CD1 1 ATOM 2074 C CD2 . TYR A 1 222 ? 45.888 3.486 17.224 1.00 3.00 ? 223 TYR A CD2 1 ATOM 2075 C CE1 . TYR A 1 222 ? 47.478 2.690 15.081 1.00 3.03 ? 223 TYR A CE1 1 ATOM 2076 C CE2 . TYR A 1 222 ? 45.453 3.700 15.925 1.00 4.78 ? 223 TYR A CE2 1 ATOM 2077 C CZ . TYR A 1 222 ? 46.248 3.294 14.858 1.00 5.93 ? 223 TYR A CZ 1 ATOM 2078 O OH . TYR A 1 222 ? 45.801 3.480 13.573 1.00 6.32 ? 223 TYR A OH 1 ATOM 2079 H H . TYR A 1 222 ? 48.688 2.652 21.139 1.00 6.66 ? 223 TYR A H 1 ATOM 2080 H HH . TYR A 1 222 ? 44.949 3.905 13.674 1.00 6.32 ? 223 TYR A HH 1 ATOM 2081 N N . LEU A 1 223 ? 49.136 5.408 19.453 1.00 5.45 ? 224 LEU A N 1 ATOM 2082 C CA . LEU A 1 223 ? 49.359 6.807 19.108 1.00 6.81 ? 224 LEU A CA 1 ATOM 2083 C C . LEU A 1 223 ? 50.800 7.062 18.627 1.00 6.05 ? 224 LEU A C 1 ATOM 2084 O O . LEU A 1 223 ? 51.023 7.899 17.756 1.00 6.02 ? 224 LEU A O 1 ATOM 2085 C CB . LEU A 1 223 ? 49.020 7.712 20.308 1.00 6.61 ? 224 LEU A CB 1 ATOM 2086 C CG . LEU A 1 223 ? 48.960 9.220 20.033 1.00 9.10 ? 224 LEU A CG 1 ATOM 2087 C CD1 . LEU A 1 223 ? 47.819 9.526 19.075 1.00 6.97 ? 224 LEU A CD1 1 ATOM 2088 C CD2 . LEU A 1 223 ? 48.767 9.992 21.329 1.00 8.99 ? 224 LEU A CD2 1 ATOM 2089 H H . LEU A 1 223 ? 48.777 5.194 20.340 1.00 5.45 ? 224 LEU A H 1 ATOM 2090 N N . GLN A 1 224 ? 51.764 6.319 19.163 1.00 4.55 ? 225 GLN A N 1 ATOM 2091 C CA . GLN A 1 224 ? 53.166 6.472 18.767 1.00 3.71 ? 225 GLN A CA 1 ATOM 2092 C C . GLN A 1 224 ? 53.423 6.190 17.278 1.00 6.08 ? 225 GLN A C 1 ATOM 2093 O O . GLN A 1 224 ? 54.337 6.761 16.681 1.00 7.03 ? 225 GLN A O 1 ATOM 2094 C CB . GLN A 1 224 ? 54.053 5.559 19.613 1.00 5.37 ? 225 GLN A CB 1 ATOM 2095 C CG . GLN A 1 224 ? 53.850 5.694 21.126 1.00 4.30 ? 225 GLN A CG 1 ATOM 2096 C CD . GLN A 1 224 ? 53.774 7.152 21.582 1.00 5.27 ? 225 GLN A CD 1 ATOM 2097 O OE1 . GLN A 1 224 ? 54.739 7.906 21.466 1.00 5.89 ? 225 GLN A OE1 1 ATOM 2098 N NE2 . GLN A 1 224 ? 52.626 7.548 22.082 1.00 3.00 ? 225 GLN A NE2 1 ATOM 2099 H H . GLN A 1 224 ? 51.515 5.648 19.837 1.00 4.55 ? 225 GLN A H 1 ATOM 2100 H HE21 . GLN A 1 224 ? 52.547 8.481 22.366 1.00 3.00 ? 225 GLN A HE21 1 ATOM 2101 H HE22 . GLN A 1 224 ? 51.881 6.911 22.145 1.00 3.00 ? 225 GLN A HE22 1 ATOM 2102 N N . SER A 1 225 ? 52.613 5.330 16.669 1.00 6.34 ? 226 SER A N 1 ATOM 2103 C CA . SER A 1 225 ? 52.766 4.991 15.252 1.00 8.97 ? 226 SER A CA 1 ATOM 2104 C C . SER A 1 225 ? 52.524 6.155 14.304 1.00 9.23 ? 226 SER A C 1 ATOM 2105 O O . SER A 1 225 ? 52.861 6.070 13.133 1.00 7.85 ? 226 SER A O 1 ATOM 2106 C CB . SER A 1 225 ? 51.791 3.877 14.857 1.00 9.45 ? 226 SER A CB 1 ATOM 2107 O OG . SER A 1 225 ? 52.250 2.604 15.271 1.00 12.85 ? 226 SER A OG 1 ATOM 2108 H H . SER A 1 225 ? 51.880 4.914 17.169 1.00 6.34 ? 226 SER A H 1 ATOM 2109 H HG . SER A 1 225 ? 52.338 2.574 16.233 1.00 12.85 ? 226 SER A HG 1 ATOM 2110 N N . PHE A 1 226 ? 51.876 7.212 14.774 1.00 6.16 ? 227 PHE A N 1 ATOM 2111 C CA . PHE A 1 226 ? 51.599 8.322 13.890 1.00 7.02 ? 227 PHE A CA 1 ATOM 2112 C C . PHE A 1 226 ? 52.812 9.199 13.623 1.00 8.42 ? 227 PHE A C 1 ATOM 2113 O O . PHE A 1 226 ? 52.796 9.982 12.683 1.00 9.85 ? 227 PHE A O 1 ATOM 2114 C CB . PHE A 1 226 ? 50.419 9.154 14.395 1.00 6.79 ? 227 PHE A CB 1 ATOM 2115 C CG . PHE A 1 226 ? 49.098 8.440 14.316 1.00 6.12 ? 227 PHE A CG 1 ATOM 2116 C CD1 . PHE A 1 226 ? 48.692 7.590 15.338 1.00 5.44 ? 227 PHE A CD1 1 ATOM 2117 C CD2 . PHE A 1 226 ? 48.259 8.625 13.223 1.00 6.43 ? 227 PHE A CD2 1 ATOM 2118 C CE1 . PHE A 1 226 ? 47.459 6.934 15.277 1.00 7.60 ? 227 PHE A CE1 1 ATOM 2119 C CE2 . PHE A 1 226 ? 47.016 7.970 13.150 1.00 6.72 ? 227 PHE A CE2 1 ATOM 2120 C CZ . PHE A 1 226 ? 46.618 7.130 14.169 1.00 6.64 ? 227 PHE A CZ 1 ATOM 2121 H H . PHE A 1 226 ? 51.585 7.261 15.708 1.00 6.16 ? 227 PHE A H 1 ATOM 2122 N N . TRP A 1 227 ? 53.868 9.060 14.423 1.00 8.45 ? 228 TRP A N 1 ATOM 2123 C CA . TRP A 1 227 ? 55.081 9.864 14.212 1.00 8.91 ? 228 TRP A CA 1 ATOM 2124 C C . TRP A 1 227 ? 55.871 9.230 13.059 1.00 10.54 ? 228 TRP A C 1 ATOM 2125 O O . TRP A 1 227 ? 56.239 8.060 13.139 1.00 9.76 ? 228 TRP A O 1 ATOM 2126 C CB . TRP A 1 227 ? 55.934 9.904 15.487 1.00 7.95 ? 228 TRP A CB 1 ATOM 2127 C CG . TRP A 1 227 ? 57.280 10.593 15.307 1.00 9.56 ? 228 TRP A CG 1 ATOM 2128 C CD1 . TRP A 1 227 ? 58.521 10.012 15.399 1.00 11.34 ? 228 TRP A CD1 1 ATOM 2129 C CD2 . TRP A 1 227 ? 57.511 11.974 15.000 1.00 9.09 ? 228 TRP A CD2 1 ATOM 2130 N NE1 . TRP A 1 227 ? 59.499 10.943 15.166 1.00 10.08 ? 228 TRP A NE1 1 ATOM 2131 C CE2 . TRP A 1 227 ? 58.911 12.157 14.916 1.00 11.87 ? 228 TRP A CE2 1 ATOM 2132 C CE3 . TRP A 1 227 ? 56.674 13.076 14.789 1.00 9.20 ? 228 TRP A CE3 1 ATOM 2133 C CZ2 . TRP A 1 227 ? 59.493 13.397 14.630 1.00 10.96 ? 228 TRP A CZ2 1 ATOM 2134 C CZ3 . TRP A 1 227 ? 57.259 14.315 14.507 1.00 11.51 ? 228 TRP A CZ3 1 ATOM 2135 C CH2 . TRP A 1 227 ? 58.653 14.459 14.430 1.00 12.99 ? 228 TRP A CH2 1 ATOM 2136 H H . TRP A 1 227 ? 53.859 8.401 15.157 1.00 8.45 ? 228 TRP A H 1 ATOM 2137 H HE1 . TRP A 1 227 ? 60.477 10.797 15.200 1.00 10.08 ? 228 TRP A HE1 1 ATOM 2138 N N . THR A 1 228 ? 56.117 9.992 11.992 1.00 10.38 ? 229 THR A N 1 ATOM 2139 C CA . THR A 1 228 ? 56.832 9.459 10.834 1.00 12.57 ? 229 THR A CA 1 ATOM 2140 C C . THR A 1 228 ? 58.347 9.602 10.904 1.00 15.15 ? 229 THR A C 1 ATOM 2141 O O . THR A 1 228 ? 59.055 9.003 10.100 1.00 16.64 ? 229 THR A O 1 ATOM 2142 C CB . THR A 1 228 ? 56.417 10.163 9.527 1.00 12.46 ? 229 THR A CB 1 ATOM 2143 O OG1 . THR A 1 228 ? 56.957 11.493 9.528 1.00 11.37 ? 229 THR A OG1 1 ATOM 2144 C CG2 . THR A 1 228 ? 54.903 10.230 9.394 1.00 9.46 ? 229 THR A CG2 1 ATOM 2145 H H . THR A 1 228 ? 55.781 10.913 11.948 1.00 10.38 ? 229 THR A H 1 ATOM 2146 H HG1 . THR A 1 228 ? 57.162 11.669 8.590 1.00 11.37 ? 229 THR A HG1 1 ATOM 2147 N N . GLY A 1 229 ? 58.837 10.417 11.834 1.00 14.33 ? 230 GLY A N 1 ATOM 2148 C CA . GLY A 1 229 ? 60.261 10.667 11.925 1.00 13.77 ? 230 GLY A CA 1 ATOM 2149 C C . GLY A 1 229 ? 60.514 12.132 11.584 1.00 14.56 ? 230 GLY A C 1 ATOM 2150 O O . GLY A 1 229 ? 61.563 12.690 11.937 1.00 16.01 ? 230 GLY A O 1 ATOM 2151 H H . GLY A 1 229 ? 58.213 10.844 12.445 1.00 14.33 ? 230 GLY A H 1 ATOM 2152 N N . SER A 1 230 ? 59.566 12.761 10.891 1.00 11.89 ? 231 SER A N 1 ATOM 2153 C CA . SER A 1 230 ? 59.695 14.175 10.537 1.00 11.67 ? 231 SER A CA 1 ATOM 2154 C C . SER A 1 230 ? 58.441 14.997 10.853 1.00 9.39 ? 231 SER A C 1 ATOM 2155 O O . SER A 1 230 ? 58.522 16.203 11.071 1.00 10.67 ? 231 SER A O 1 ATOM 2156 C CB . SER A 1 230 ? 60.139 14.349 9.078 1.00 12.50 ? 231 SER A CB 1 ATOM 2157 O OG . SER A 1 230 ? 59.335 13.601 8.191 1.00 19.87 ? 231 SER A OG 1 ATOM 2158 H H . SER A 1 230 ? 58.779 12.270 10.579 1.00 11.89 ? 231 SER A H 1 ATOM 2159 H HG . SER A 1 230 ? 58.441 13.943 8.098 1.00 19.87 ? 231 SER A HG 1 ATOM 2160 N N . TYR A 1 231 ? 57.285 14.348 10.887 1.00 9.13 ? 232 TYR A N 1 ATOM 2161 C CA . TYR A 1 231 ? 56.035 15.030 11.240 1.00 8.76 ? 232 TYR A CA 1 ATOM 2162 C C . TYR A 1 231 ? 55.006 13.992 11.687 1.00 7.45 ? 232 TYR A C 1 ATOM 2163 O O . TYR A 1 231 ? 55.280 12.793 11.665 1.00 4.87 ? 232 TYR A O 1 ATOM 2164 C CB . TYR A 1 231 ? 55.501 15.896 10.085 1.00 8.31 ? 232 TYR A CB 1 ATOM 2165 C CG . TYR A 1 231 ? 55.159 15.133 8.838 1.00 11.46 ? 232 TYR A CG 1 ATOM 2166 C CD1 . TYR A 1 231 ? 56.132 14.855 7.884 1.00 14.52 ? 232 TYR A CD1 1 ATOM 2167 C CD2 . TYR A 1 231 ? 53.865 14.654 8.628 1.00 13.85 ? 232 TYR A CD2 1 ATOM 2168 C CE1 . TYR A 1 231 ? 55.827 14.114 6.755 1.00 16.39 ? 232 TYR A CE1 1 ATOM 2169 C CE2 . TYR A 1 231 ? 53.548 13.912 7.512 1.00 14.18 ? 232 TYR A CE2 1 ATOM 2170 C CZ . TYR A 1 231 ? 54.532 13.645 6.574 1.00 16.52 ? 232 TYR A CZ 1 ATOM 2171 O OH . TYR A 1 231 ? 54.220 12.910 5.452 1.00 17.79 ? 232 TYR A OH 1 ATOM 2172 H H . TYR A 1 231 ? 57.200 13.389 10.688 1.00 9.13 ? 232 TYR A H 1 ATOM 2173 H HH . TYR A 1 231 ? 53.280 12.663 5.459 1.00 17.79 ? 232 TYR A HH 1 ATOM 2174 N N . ILE A 1 232 ? 53.841 14.459 12.123 1.00 8.16 ? 233 ILE A N 1 ATOM 2175 C CA . ILE A 1 232 ? 52.779 13.575 12.582 1.00 6.68 ? 233 ILE A CA 1 ATOM 2176 C C . ILE A 1 232 ? 51.835 13.245 11.431 1.00 7.31 ? 233 ILE A C 1 ATOM 2177 O O . ILE A 1 232 ? 51.262 14.137 10.818 1.00 7.34 ? 233 ILE A O 1 ATOM 2178 C CB . ILE A 1 232 ? 51.984 14.224 13.729 1.00 6.49 ? 233 ILE A CB 1 ATOM 2179 C CG1 . ILE A 1 232 ? 52.934 14.614 14.872 1.00 6.63 ? 233 ILE A CG1 1 ATOM 2180 C CG2 . ILE A 1 232 ? 50.914 13.258 14.259 1.00 5.27 ? 233 ILE A CG2 1 ATOM 2181 C CD1 . ILE A 1 232 ? 52.261 15.386 15.998 1.00 5.02 ? 233 ILE A CD1 1 ATOM 2182 H H . ILE A 1 232 ? 53.652 15.418 12.098 1.00 8.16 ? 233 ILE A H 1 ATOM 2183 N N . LEU A 1 233 ? 51.708 11.962 11.114 1.00 6.75 ? 234 LEU A N 1 ATOM 2184 C CA . LEU A 1 233 ? 50.824 11.517 10.047 1.00 6.82 ? 234 LEU A CA 1 ATOM 2185 C C . LEU A 1 233 ? 49.392 11.776 10.514 1.00 6.50 ? 234 LEU A C 1 ATOM 2186 O O . LEU A 1 233 ? 49.007 11.325 11.584 1.00 6.30 ? 234 LEU A O 1 ATOM 2187 C CB . LEU A 1 233 ? 51.016 10.019 9.815 1.00 9.35 ? 234 LEU A CB 1 ATOM 2188 C CG . LEU A 1 233 ? 50.425 9.423 8.541 1.00 10.94 ? 234 LEU A CG 1 ATOM 2189 C CD1 . LEU A 1 233 ? 51.092 10.058 7.342 1.00 11.12 ? 234 LEU A CD1 1 ATOM 2190 C CD2 . LEU A 1 233 ? 50.659 7.912 8.535 1.00 14.61 ? 234 LEU A CD2 1 ATOM 2191 H H . LEU A 1 233 ? 52.210 11.302 11.618 1.00 6.75 ? 234 LEU A H 1 ATOM 2192 N N . ALA A 1 234 ? 48.608 12.506 9.732 1.00 4.39 ? 235 ALA A N 1 ATOM 2193 C CA . ALA A 1 234 ? 47.239 12.787 10.141 1.00 5.74 ? 235 ALA A CA 1 ATOM 2194 C C . ALA A 1 234 ? 46.334 11.551 10.125 1.00 6.42 ? 235 ALA A C 1 ATOM 2195 O O . ALA A 1 234 ? 45.520 11.366 11.026 1.00 6.37 ? 235 ALA A O 1 ATOM 2196 C CB . ALA A 1 234 ? 46.648 13.860 9.269 1.00 4.21 ? 235 ALA A CB 1 ATOM 2197 H H . ALA A 1 234 ? 48.967 12.899 8.904 1.00 4.39 ? 235 ALA A H 1 ATOM 2198 N N . ASN A 1 235 ? 46.458 10.725 9.087 1.00 7.00 ? 236 ASN A N 1 ATOM 2199 C CA . ASN A 1 235 ? 45.625 9.540 8.953 1.00 7.78 ? 236 ASN A CA 1 ATOM 2200 C C . ASN A 1 235 ? 46.333 8.374 8.296 1.00 8.09 ? 236 ASN A C 1 ATOM 2201 O O . ASN A 1 235 ? 47.146 8.564 7.389 1.00 8.36 ? 236 ASN A O 1 ATOM 2202 C CB . ASN A 1 235 ? 44.417 9.810 8.032 1.00 5.89 ? 236 ASN A CB 1 ATOM 2203 C CG . ASN A 1 235 ? 43.541 10.958 8.490 1.00 5.74 ? 236 ASN A CG 1 ATOM 2204 O OD1 . ASN A 1 235 ? 42.662 10.774 9.319 1.00 6.48 ? 236 ASN A OD1 1 ATOM 2205 N ND2 . ASN A 1 235 ? 43.716 12.129 7.882 1.00 3.83 ? 236 ASN A ND2 1 ATOM 2206 H H . ASN A 1 235 ? 47.124 10.903 8.390 1.00 7.00 ? 236 ASN A H 1 ATOM 2207 H HD21 . ASN A 1 235 ? 43.174 12.878 8.210 1.00 3.83 ? 236 ASN A HD21 1 ATOM 2208 H HD22 . ASN A 1 235 ? 44.372 12.213 7.151 1.00 3.83 ? 236 ASN A HD22 1 ATOM 2209 N N . PHE A 1 236 ? 45.980 7.174 8.737 1.00 7.48 ? 237 PHE A N 1 ATOM 2210 C CA . PHE A 1 236 ? 46.448 5.956 8.107 1.00 8.56 ? 237 PHE A CA 1 ATOM 2211 C C . PHE A 1 236 ? 45.322 5.694 7.096 1.00 10.62 ? 237 PHE A C 1 ATOM 2212 O O . PHE A 1 236 ? 44.225 6.254 7.225 1.00 10.42 ? 237 PHE A O 1 ATOM 2213 C CB . PHE A 1 236 ? 46.557 4.812 9.114 1.00 9.40 ? 237 PHE A CB 1 ATOM 2214 C CG . PHE A 1 236 ? 47.833 4.825 9.894 1.00 8.85 ? 237 PHE A CG 1 ATOM 2215 C CD1 . PHE A 1 236 ? 49.052 4.622 9.249 1.00 9.62 ? 237 PHE A CD1 1 ATOM 2216 C CD2 . PHE A 1 236 ? 47.831 5.094 11.259 1.00 9.99 ? 237 PHE A CD2 1 ATOM 2217 C CE1 . PHE A 1 236 ? 50.256 4.692 9.953 1.00 8.34 ? 237 PHE A CE1 1 ATOM 2218 C CE2 . PHE A 1 236 ? 49.035 5.167 11.984 1.00 9.22 ? 237 PHE A CE2 1 ATOM 2219 C CZ . PHE A 1 236 ? 50.247 4.968 11.324 1.00 10.43 ? 237 PHE A CZ 1 ATOM 2220 H H . PHE A 1 236 ? 45.369 7.105 9.498 1.00 7.48 ? 237 PHE A H 1 ATOM 2221 N N . ASP A 1 237 ? 45.602 4.897 6.072 1.00 11.33 ? 238 ASP A N 1 ATOM 2222 C CA . ASP A 1 237 ? 44.636 4.557 5.026 1.00 12.80 ? 238 ASP A CA 1 ATOM 2223 C C . ASP A 1 237 ? 44.356 5.753 4.130 1.00 13.24 ? 238 ASP A C 1 ATOM 2224 O O . ASP A 1 237 ? 43.293 5.844 3.522 1.00 14.18 ? 238 ASP A O 1 ATOM 2225 C CB . ASP A 1 237 ? 43.307 4.053 5.622 1.00 13.76 ? 238 ASP A CB 1 ATOM 2226 C CG . ASP A 1 237 ? 43.505 2.972 6.666 1.00 17.95 ? 238 ASP A CG 1 ATOM 2227 O OD1 . ASP A 1 237 ? 44.195 1.974 6.373 1.00 18.40 ? 238 ASP A OD1 1 ATOM 2228 O OD2 . ASP A 1 237 ? 42.986 3.128 7.789 1.00 19.53 ? 238 ASP A OD2 1 ATOM 2229 H H . ASP A 1 237 ? 46.496 4.545 6.022 1.00 11.33 ? 238 ASP A H 1 ATOM 2230 N N . SER A 1 238 ? 45.290 6.688 4.068 1.00 14.56 ? 239 SER A N 1 ATOM 2231 C CA . SER A 1 238 ? 45.113 7.867 3.234 1.00 16.55 ? 239 SER A CA 1 ATOM 2232 C C . SER A 1 238 ? 46.235 7.966 2.203 1.00 17.12 ? 239 SER A C 1 ATOM 2233 O O . SER A 1 238 ? 47.358 7.529 2.450 1.00 17.43 ? 239 SER A O 1 ATOM 2234 C CB . SER A 1 238 ? 45.098 9.121 4.099 1.00 16.74 ? 239 SER A CB 1 ATOM 2235 O OG . SER A 1 238 ? 44.951 10.289 3.309 1.00 15.96 ? 239 SER A OG 1 ATOM 2236 H H . SER A 1 238 ? 46.129 6.598 4.569 1.00 14.56 ? 239 SER A H 1 ATOM 2237 H HG . SER A 1 238 ? 45.040 11.015 3.954 1.00 15.96 ? 239 SER A HG 1 ATOM 2238 N N . SER A 1 239 ? 45.925 8.558 1.057 1.00 16.79 ? 240 SER A N 1 ATOM 2239 C CA . SER A 1 239 ? 46.904 8.729 -0.005 1.00 18.33 ? 240 SER A CA 1 ATOM 2240 C C . SER A 1 239 ? 47.536 10.121 0.013 1.00 16.41 ? 240 SER A C 1 ATOM 2241 O O . SER A 1 239 ? 48.373 10.429 -0.826 1.00 18.88 ? 240 SER A O 1 ATOM 2242 C CB . SER A 1 239 ? 46.247 8.471 -1.376 1.00 21.52 ? 240 SER A CB 1 ATOM 2243 O OG . SER A 1 239 ? 45.082 9.274 -1.561 1.00 28.20 ? 240 SER A OG 1 ATOM 2244 H H . SER A 1 239 ? 45.013 8.901 0.904 1.00 16.79 ? 240 SER A H 1 ATOM 2245 H HG . SER A 1 239 ? 44.681 9.012 -2.393 1.00 28.20 ? 240 SER A HG 1 ATOM 2246 N N . ARG A 1 240 ? 47.123 10.971 0.946 1.00 12.55 ? 241 ARG A N 1 ATOM 2247 C CA . ARG A 1 240 ? 47.666 12.322 1.020 1.00 10.03 ? 241 ARG A CA 1 ATOM 2248 C C . ARG A 1 240 ? 49.047 12.328 1.663 1.00 9.74 ? 241 ARG A C 1 ATOM 2249 O O . ARG A 1 240 ? 49.521 11.298 2.135 1.00 9.49 ? 241 ARG A O 1 ATOM 2250 C CB . ARG A 1 240 ? 46.749 13.197 1.851 1.00 7.82 ? 241 ARG A CB 1 ATOM 2251 C CG . ARG A 1 240 ? 45.337 13.217 1.378 1.00 8.17 ? 241 ARG A CG 1 ATOM 2252 C CD . ARG A 1 240 ? 44.529 13.955 2.386 1.00 6.74 ? 241 ARG A CD 1 ATOM 2253 N NE . ARG A 1 240 ? 43.109 13.956 2.069 1.00 6.71 ? 241 ARG A NE 1 ATOM 2254 C CZ . ARG A 1 240 ? 42.157 14.248 2.948 1.00 5.54 ? 241 ARG A CZ 1 ATOM 2255 N NH1 . ARG A 1 240 ? 42.487 14.553 4.199 1.00 3.00 ? 241 ARG A NH1 1 ATOM 2256 N NH2 . ARG A 1 240 ? 40.883 14.275 2.563 1.00 3.64 ? 241 ARG A NH2 1 ATOM 2257 H H . ARG A 1 240 ? 46.447 10.670 1.591 1.00 12.55 ? 241 ARG A H 1 ATOM 2258 H HE . ARG A 1 240 ? 42.837 13.742 1.149 1.00 6.71 ? 241 ARG A HE 1 ATOM 2259 H HH11 . ARG A 1 240 ? 43.448 14.564 4.503 1.00 3.00 ? 241 ARG A HH11 1 ATOM 2260 H HH12 . ARG A 1 240 ? 41.777 14.764 4.882 1.00 3.00 ? 241 ARG A HH12 1 ATOM 2261 H HH21 . ARG A 1 240 ? 40.629 14.082 1.611 1.00 3.64 ? 241 ARG A HH21 1 ATOM 2262 H HH22 . ARG A 1 240 ? 40.167 14.502 3.223 1.00 3.64 ? 241 ARG A HH22 1 ATOM 2263 N N . SER A 1 241 ? 49.672 13.497 1.732 1.00 7.75 ? 242 SER A N 1 ATOM 2264 C CA . SER A 1 241 ? 50.979 13.602 2.371 1.00 9.38 ? 242 SER A CA 1 ATOM 2265 C C . SER A 1 241 ? 50.833 13.273 3.858 1.00 8.72 ? 242 SER A C 1 ATOM 2266 O O . SER A 1 241 ? 51.719 12.675 4.445 1.00 10.80 ? 242 SER A O 1 ATOM 2267 C CB . SER A 1 241 ? 51.542 15.023 2.231 1.00 6.52 ? 242 SER A CB 1 ATOM 2268 O OG . SER A 1 241 ? 50.689 15.976 2.851 1.00 5.26 ? 242 SER A OG 1 ATOM 2269 H H . SER A 1 241 ? 49.262 14.294 1.352 1.00 7.75 ? 242 SER A H 1 ATOM 2270 H HG . SER A 1 241 ? 50.714 16.755 2.277 1.00 5.26 ? 242 SER A HG 1 ATOM 2271 N N . GLY A 1 242 ? 49.722 13.677 4.468 1.00 8.37 ? 243 GLY A N 1 ATOM 2272 C CA . GLY A 1 242 ? 49.541 13.419 5.889 1.00 8.79 ? 243 GLY A CA 1 ATOM 2273 C C . GLY A 1 242 ? 49.786 14.656 6.748 1.00 7.83 ? 243 GLY A C 1 ATOM 2274 O O . GLY A 1 242 ? 49.648 14.595 7.969 1.00 9.46 ? 243 GLY A O 1 ATOM 2275 H H . GLY A 1 242 ? 49.039 14.191 3.975 1.00 8.37 ? 243 GLY A H 1 ATOM 2276 N N . LYS A 1 243 ? 50.247 15.741 6.134 1.00 5.43 ? 244 LYS A N 1 ATOM 2277 C CA . LYS A 1 243 ? 50.456 17.010 6.849 1.00 5.50 ? 244 LYS A CA 1 ATOM 2278 C C . LYS A 1 243 ? 49.041 17.575 6.927 1.00 4.86 ? 244 LYS A C 1 ATOM 2279 O O . LYS A 1 243 ? 48.395 17.763 5.894 1.00 4.82 ? 244 LYS A O 1 ATOM 2280 C CB . LYS A 1 243 ? 51.369 17.929 6.039 1.00 5.89 ? 244 LYS A CB 1 ATOM 2281 C CG . LYS A 1 243 ? 52.784 17.389 5.952 1.00 9.33 ? 244 LYS A CG 1 ATOM 2282 C CD . LYS A 1 243 ? 53.666 18.177 5.011 1.00 11.29 ? 244 LYS A CD 1 ATOM 2283 C CE . LYS A 1 243 ? 55.013 17.456 4.838 1.00 11.17 ? 244 LYS A CE 1 ATOM 2284 N NZ . LYS A 1 243 ? 55.945 18.231 3.967 1.00 15.83 ? 244 LYS A NZ 1 ATOM 2285 H H . LYS A 1 243 ? 50.417 15.719 5.171 1.00 5.43 ? 244 LYS A H 1 ATOM 2286 H HZ1 . LYS A 1 243 ? 55.540 18.405 3.031 1.00 15.83 ? 244 LYS A HZ1 1 ATOM 2287 H HZ2 . LYS A 1 243 ? 56.156 19.148 4.416 1.00 15.83 ? 244 LYS A HZ2 1 ATOM 2288 H HZ3 . LYS A 1 243 ? 56.837 17.703 3.849 1.00 15.83 ? 244 LYS A HZ3 1 ATOM 2289 N N . ASP A 1 244 ? 48.571 17.877 8.130 1.00 3.00 ? 245 ASP A N 1 ATOM 2290 C CA . ASP A 1 244 ? 47.188 18.309 8.297 1.00 3.00 ? 245 ASP A CA 1 ATOM 2291 C C . ASP A 1 244 ? 47.068 18.996 9.666 1.00 4.04 ? 245 ASP A C 1 ATOM 2292 O O . ASP A 1 244 ? 47.613 18.507 10.651 1.00 3.28 ? 245 ASP A O 1 ATOM 2293 C CB . ASP A 1 244 ? 46.359 17.002 8.261 1.00 3.66 ? 245 ASP A CB 1 ATOM 2294 C CG . ASP A 1 244 ? 44.859 17.212 8.194 1.00 4.58 ? 245 ASP A CG 1 ATOM 2295 O OD1 . ASP A 1 244 ? 44.324 18.143 8.823 1.00 4.62 ? 245 ASP A OD1 1 ATOM 2296 O OD2 . ASP A 1 244 ? 44.200 16.386 7.533 1.00 3.00 ? 245 ASP A OD2 1 ATOM 2297 H H . ASP A 1 244 ? 49.142 17.783 8.932 1.00 3.00 ? 245 ASP A H 1 ATOM 2298 N N A THR A 1 245 ? 46.345 20.113 9.735 0.40 3.00 ? 246 THR A N 1 ATOM 2299 N N B THR A 1 245 ? 46.334 20.103 9.719 0.60 3.00 ? 246 THR A N 1 ATOM 2300 C CA A THR A 1 245 ? 46.180 20.820 11.005 0.40 4.18 ? 246 THR A CA 1 ATOM 2301 C CA B THR A 1 245 ? 46.129 20.847 10.959 0.60 4.85 ? 246 THR A CA 1 ATOM 2302 C C A THR A 1 245 ? 45.458 19.956 12.041 0.40 4.46 ? 246 THR A C 1 ATOM 2303 C C B THR A 1 245 ? 45.409 19.985 12.016 0.60 4.90 ? 246 THR A C 1 ATOM 2304 O O A THR A 1 245 ? 45.399 20.292 13.227 0.40 4.80 ? 246 THR A O 1 ATOM 2305 O O B THR A 1 245 ? 45.344 20.329 13.198 0.60 5.52 ? 246 THR A O 1 ATOM 2306 C CB A THR A 1 245 ? 45.504 22.183 10.821 0.40 3.92 ? 246 THR A CB 1 ATOM 2307 C CB B THR A 1 245 ? 45.400 22.161 10.650 0.60 4.46 ? 246 THR A CB 1 ATOM 2308 O OG1 A THR A 1 245 ? 44.381 22.053 9.945 0.40 3.78 ? 246 THR A OG1 1 ATOM 2309 O OG1 B THR A 1 245 ? 46.198 22.899 9.714 0.60 4.84 ? 246 THR A OG1 1 ATOM 2310 C CG2 A THR A 1 245 ? 46.495 23.166 10.234 0.40 3.68 ? 246 THR A CG2 1 ATOM 2311 C CG2 B THR A 1 245 ? 45.201 22.990 11.907 0.60 4.41 ? 246 THR A CG2 1 ATOM 2312 H H A THR A 1 245 ? 45.878 20.467 8.951 0.40 3.00 ? 246 THR A H 1 ATOM 2313 H H B THR A 1 245 ? 45.929 20.456 8.906 0.60 3.00 ? 246 THR A H 1 ATOM 2314 H HG1 A THR A 1 245 ? 44.120 22.918 9.605 0.40 3.78 ? 246 THR A HG1 1 ATOM 2315 H HG1 B THR A 1 245 ? 45.634 23.577 9.319 0.60 4.84 ? 246 THR A HG1 1 ATOM 2316 N N . ASN A 1 246 ? 44.948 18.822 11.574 1.00 4.39 ? 247 ASN A N 1 ATOM 2317 C CA . ASN A 1 246 ? 44.302 17.810 12.412 1.00 3.00 ? 247 ASN A CA 1 ATOM 2318 C C . ASN A 1 246 ? 45.277 17.548 13.574 1.00 3.71 ? 247 ASN A C 1 ATOM 2319 O O . ASN A 1 246 ? 44.872 17.416 14.732 1.00 3.20 ? 247 ASN A O 1 ATOM 2320 C CB . ASN A 1 246 ? 44.208 16.559 11.510 1.00 3.81 ? 247 ASN A CB 1 ATOM 2321 C CG . ASN A 1 246 ? 44.118 15.217 12.257 1.00 6.85 ? 247 ASN A CG 1 ATOM 2322 O OD1 . ASN A 1 246 ? 44.771 14.966 13.280 1.00 3.56 ? 247 ASN A OD1 1 ATOM 2323 N ND2 . ASN A 1 246 ? 43.381 14.294 11.647 1.00 5.64 ? 247 ASN A ND2 1 ATOM 2324 H H . ASN A 1 246 ? 45.011 18.645 10.617 1.00 4.39 ? 247 ASN A H 1 ATOM 2325 H HD21 . ASN A 1 246 ? 43.271 13.417 12.061 1.00 5.64 ? 247 ASN A HD21 1 ATOM 2326 H HD22 . ASN A 1 246 ? 42.965 14.530 10.788 1.00 5.64 ? 247 ASN A HD22 1 ATOM 2327 N N . THR A 1 247 ? 46.568 17.513 13.256 1.00 3.00 ? 248 THR A N 1 ATOM 2328 C CA . THR A 1 247 ? 47.595 17.234 14.241 1.00 3.49 ? 248 THR A CA 1 ATOM 2329 C C . THR A 1 247 ? 47.880 18.364 15.215 1.00 3.11 ? 248 THR A C 1 ATOM 2330 O O . THR A 1 247 ? 48.243 18.113 16.360 1.00 5.25 ? 248 THR A O 1 ATOM 2331 C CB . THR A 1 247 ? 48.867 16.726 13.562 1.00 4.74 ? 248 THR A CB 1 ATOM 2332 O OG1 . THR A 1 247 ? 49.338 17.704 12.632 1.00 5.53 ? 248 THR A OG1 1 ATOM 2333 C CG2 . THR A 1 247 ? 48.553 15.439 12.807 1.00 3.00 ? 248 THR A CG2 1 ATOM 2334 H H . THR A 1 247 ? 46.880 17.670 12.343 1.00 3.00 ? 248 THR A H 1 ATOM 2335 H HG1 . THR A 1 247 ? 49.760 17.303 11.842 1.00 5.53 ? 248 THR A HG1 1 ATOM 2336 N N . LEU A 1 248 ? 47.703 19.604 14.783 1.00 4.85 ? 249 LEU A N 1 ATOM 2337 C CA . LEU A 1 248 ? 47.900 20.745 15.674 1.00 5.73 ? 249 LEU A CA 1 ATOM 2338 C C . LEU A 1 248 ? 46.715 20.760 16.660 1.00 5.86 ? 249 LEU A C 1 ATOM 2339 O O . LEU A 1 248 ? 46.882 21.007 17.856 1.00 6.43 ? 249 LEU A O 1 ATOM 2340 C CB . LEU A 1 248 ? 47.924 22.054 14.872 1.00 4.92 ? 249 LEU A CB 1 ATOM 2341 C CG . LEU A 1 248 ? 49.274 22.532 14.331 1.00 8.54 ? 249 LEU A CG 1 ATOM 2342 C CD1 . LEU A 1 248 ? 49.904 21.479 13.454 1.00 7.17 ? 249 LEU A CD1 1 ATOM 2343 C CD2 . LEU A 1 248 ? 49.104 23.828 13.569 1.00 7.94 ? 249 LEU A CD2 1 ATOM 2344 H H . LEU A 1 248 ? 47.400 19.757 13.868 1.00 4.85 ? 249 LEU A H 1 ATOM 2345 N N . LEU A 1 249 ? 45.525 20.449 16.152 1.00 4.59 ? 250 LEU A N 1 ATOM 2346 C CA . LEU A 1 249 ? 44.314 20.423 16.971 1.00 4.83 ? 250 LEU A CA 1 ATOM 2347 C C . LEU A 1 249 ? 44.417 19.328 18.017 1.00 4.82 ? 250 LEU A C 1 ATOM 2348 O O . LEU A 1 249 ? 44.056 19.538 19.170 1.00 5.31 ? 250 LEU A O 1 ATOM 2349 C CB . LEU A 1 249 ? 43.072 20.249 16.091 1.00 4.01 ? 250 LEU A CB 1 ATOM 2350 C CG . LEU A 1 249 ? 42.715 21.498 15.260 1.00 5.55 ? 250 LEU A CG 1 ATOM 2351 C CD1 . LEU A 1 249 ? 41.743 21.182 14.117 1.00 3.64 ? 250 LEU A CD1 1 ATOM 2352 C CD2 . LEU A 1 249 ? 42.153 22.584 16.177 1.00 5.03 ? 250 LEU A CD2 1 ATOM 2353 H H . LEU A 1 249 ? 45.453 20.251 15.192 1.00 4.59 ? 250 LEU A H 1 ATOM 2354 N N . GLY A 1 250 ? 44.986 18.191 17.622 1.00 4.12 ? 251 GLY A N 1 ATOM 2355 C CA . GLY A 1 250 ? 45.167 17.076 18.532 1.00 3.90 ? 251 GLY A CA 1 ATOM 2356 C C . GLY A 1 250 ? 46.056 17.494 19.684 1.00 6.96 ? 251 GLY A C 1 ATOM 2357 O O . GLY A 1 250 ? 45.823 17.119 20.829 1.00 9.04 ? 251 GLY A O 1 ATOM 2358 H H . GLY A 1 250 ? 45.255 18.098 16.679 1.00 4.12 ? 251 GLY A H 1 ATOM 2359 N N . SER A 1 251 ? 47.072 18.291 19.378 1.00 5.97 ? 252 SER A N 1 ATOM 2360 C CA . SER A 1 251 ? 47.999 18.770 20.384 1.00 5.77 ? 252 SER A CA 1 ATOM 2361 C C . SER A 1 251 ? 47.370 19.802 21.324 1.00 4.58 ? 252 SER A C 1 ATOM 2362 O O . SER A 1 251 ? 47.362 19.616 22.542 1.00 5.33 ? 252 SER A O 1 ATOM 2363 C CB . SER A 1 251 ? 49.250 19.358 19.708 1.00 5.92 ? 252 SER A CB 1 ATOM 2364 O OG . SER A 1 251 ? 50.238 19.699 20.660 1.00 6.67 ? 252 SER A OG 1 ATOM 2365 H H . SER A 1 251 ? 47.216 18.561 18.445 1.00 5.97 ? 252 SER A H 1 ATOM 2366 H HG . SER A 1 251 ? 50.586 18.874 21.039 1.00 6.67 ? 252 SER A HG 1 ATOM 2367 N N . ILE A 1 252 ? 46.795 20.863 20.783 1.00 4.66 ? 253 ILE A N 1 ATOM 2368 C CA . ILE A 1 252 ? 46.224 21.878 21.658 1.00 4.28 ? 253 ILE A CA 1 ATOM 2369 C C . ILE A 1 252 ? 45.038 21.405 22.504 1.00 5.58 ? 253 ILE A C 1 ATOM 2370 O O . ILE A 1 252 ? 44.854 21.880 23.628 1.00 5.48 ? 253 ILE A O 1 ATOM 2371 C CB . ILE A 1 252 ? 45.871 23.192 20.900 1.00 5.09 ? 253 ILE A CB 1 ATOM 2372 C CG1 . ILE A 1 252 ? 44.685 22.991 19.945 1.00 3.36 ? 253 ILE A CG1 1 ATOM 2373 C CG2 . ILE A 1 252 ? 47.114 23.726 20.188 1.00 3.35 ? 253 ILE A CG2 1 ATOM 2374 C CD1 . ILE A 1 252 ? 44.072 24.303 19.422 1.00 4.73 ? 253 ILE A CD1 1 ATOM 2375 H H . ILE A 1 252 ? 46.769 20.983 19.807 1.00 4.66 ? 253 ILE A H 1 ATOM 2376 N N . HIS A 1 253 ? 44.271 20.432 22.005 1.00 4.37 ? 254 HIS A N 1 ATOM 2377 C CA . HIS A 1 253 ? 43.123 19.925 22.758 1.00 4.32 ? 254 HIS A CA 1 ATOM 2378 C C . HIS A 1 253 ? 43.445 18.832 23.758 1.00 4.46 ? 254 HIS A C 1 ATOM 2379 O O . HIS A 1 253 ? 42.560 18.349 24.481 1.00 4.84 ? 254 HIS A O 1 ATOM 2380 C CB . HIS A 1 253 ? 41.979 19.542 21.829 1.00 4.63 ? 254 HIS A CB 1 ATOM 2381 C CG . HIS A 1 253 ? 41.326 20.731 21.204 1.00 5.97 ? 254 HIS A CG 1 ATOM 2382 N ND1 . HIS A 1 253 ? 40.738 21.726 21.953 1.00 7.35 ? 254 HIS A ND1 1 ATOM 2383 C CD2 . HIS A 1 253 ? 41.259 21.141 19.916 1.00 6.65 ? 254 HIS A CD2 1 ATOM 2384 C CE1 . HIS A 1 253 ? 40.339 22.703 21.155 1.00 8.73 ? 254 HIS A CE1 1 ATOM 2385 N NE2 . HIS A 1 253 ? 40.645 22.369 19.911 1.00 7.21 ? 254 HIS A NE2 1 ATOM 2386 H H . HIS A 1 253 ? 44.473 20.066 21.119 1.00 4.37 ? 254 HIS A H 1 ATOM 2387 H HD1 . HIS A 1 253 ? 40.655 21.739 22.932 1.00 7.35 ? 254 HIS A HD1 1 ATOM 2388 H HE2 . HIS A 1 253 ? 40.436 22.927 19.126 1.00 7.21 ? 254 HIS A HE2 1 ATOM 2389 N N . THR A 1 254 ? 44.707 18.413 23.780 1.00 4.51 ? 255 THR A N 1 ATOM 2390 C CA . THR A 1 254 ? 45.149 17.432 24.763 1.00 5.26 ? 255 THR A CA 1 ATOM 2391 C C . THR A 1 254 ? 46.293 18.055 25.565 1.00 6.13 ? 255 THR A C 1 ATOM 2392 O O . THR A 1 254 ? 47.009 17.362 26.284 1.00 8.55 ? 255 THR A O 1 ATOM 2393 C CB . THR A 1 254 ? 45.588 16.091 24.153 1.00 5.07 ? 255 THR A CB 1 ATOM 2394 O OG1 . THR A 1 254 ? 46.684 16.298 23.261 1.00 3.00 ? 255 THR A OG1 1 ATOM 2395 C CG2 . THR A 1 254 ? 44.423 15.421 23.410 1.00 4.95 ? 255 THR A CG2 1 ATOM 2396 H H . THR A 1 254 ? 45.382 18.741 23.144 1.00 4.51 ? 255 THR A H 1 ATOM 2397 H HG1 . THR A 1 254 ? 46.373 16.715 22.458 1.00 3.00 ? 255 THR A HG1 1 ATOM 2398 N N . PHE A 1 255 ? 46.451 19.373 25.441 1.00 5.10 ? 256 PHE A N 1 ATOM 2399 C CA . PHE A 1 255 ? 47.470 20.117 26.189 1.00 4.18 ? 256 PHE A CA 1 ATOM 2400 C C . PHE A 1 255 ? 47.160 20.048 27.690 1.00 4.95 ? 256 PHE A C 1 ATOM 2401 O O . PHE A 1 255 ? 46.025 20.279 28.114 1.00 3.29 ? 256 PHE A O 1 ATOM 2402 C CB . PHE A 1 255 ? 47.484 21.592 25.734 1.00 4.93 ? 256 PHE A CB 1 ATOM 2403 C CG . PHE A 1 255 ? 48.190 22.532 26.690 1.00 6.29 ? 256 PHE A CG 1 ATOM 2404 C CD1 . PHE A 1 255 ? 49.495 22.286 27.107 1.00 5.86 ? 256 PHE A CD1 1 ATOM 2405 C CD2 . PHE A 1 255 ? 47.537 23.667 27.171 1.00 7.46 ? 256 PHE A CD2 1 ATOM 2406 C CE1 . PHE A 1 255 ? 50.139 23.152 27.981 1.00 7.47 ? 256 PHE A CE1 1 ATOM 2407 C CE2 . PHE A 1 255 ? 48.172 24.545 28.049 1.00 5.59 ? 256 PHE A CE2 1 ATOM 2408 C CZ . PHE A 1 255 ? 49.482 24.281 28.452 1.00 9.02 ? 256 PHE A CZ 1 ATOM 2409 H H . PHE A 1 255 ? 45.890 19.881 24.816 1.00 5.10 ? 256 PHE A H 1 ATOM 2410 N N . ASP A 1 256 ? 48.166 19.723 28.492 1.00 3.93 ? 257 ASP A N 1 ATOM 2411 C CA . ASP A 1 256 ? 47.998 19.666 29.935 1.00 4.74 ? 257 ASP A CA 1 ATOM 2412 C C . ASP A 1 256 ? 49.022 20.658 30.501 1.00 4.53 ? 257 ASP A C 1 ATOM 2413 O O . ASP A 1 256 ? 50.221 20.475 30.306 1.00 4.04 ? 257 ASP A O 1 ATOM 2414 C CB . ASP A 1 256 ? 48.273 18.241 30.449 1.00 5.49 ? 257 ASP A CB 1 ATOM 2415 C CG . ASP A 1 256 ? 47.943 18.070 31.919 1.00 7.87 ? 257 ASP A CG 1 ATOM 2416 O OD1 . ASP A 1 256 ? 48.232 18.980 32.716 1.00 10.95 ? 257 ASP A OD1 1 ATOM 2417 O OD2 . ASP A 1 256 ? 47.376 17.022 32.292 1.00 11.92 ? 257 ASP A OD2 1 ATOM 2418 H H . ASP A 1 256 ? 49.049 19.518 28.115 1.00 3.93 ? 257 ASP A H 1 ATOM 2419 N N . PRO A 1 257 ? 48.566 21.728 31.190 1.00 6.83 ? 258 PRO A N 1 ATOM 2420 C CA . PRO A 1 257 ? 49.497 22.715 31.760 1.00 7.95 ? 258 PRO A CA 1 ATOM 2421 C C . PRO A 1 257 ? 50.547 22.157 32.729 1.00 8.75 ? 258 PRO A C 1 ATOM 2422 O O . PRO A 1 257 ? 51.555 22.805 32.992 1.00 10.94 ? 258 PRO A O 1 ATOM 2423 C CB . PRO A 1 257 ? 48.565 23.735 32.439 1.00 7.25 ? 258 PRO A CB 1 ATOM 2424 C CG . PRO A 1 257 ? 47.302 22.941 32.722 1.00 7.78 ? 258 PRO A CG 1 ATOM 2425 C CD . PRO A 1 257 ? 47.166 22.114 31.464 1.00 6.05 ? 258 PRO A CD 1 ATOM 2426 N N . GLU A 1 258 ? 50.312 20.970 33.269 1.00 9.36 ? 259 GLU A N 1 ATOM 2427 C CA . GLU A 1 258 ? 51.254 20.335 34.192 1.00 12.40 ? 259 GLU A CA 1 ATOM 2428 C C . GLU A 1 258 ? 52.260 19.429 33.483 1.00 11.97 ? 259 GLU A C 1 ATOM 2429 O O . GLU A 1 258 ? 53.191 18.924 34.115 1.00 10.90 ? 259 GLU A O 1 ATOM 2430 C CB . GLU A 1 258 ? 50.508 19.484 35.218 1.00 16.18 ? 259 GLU A CB 1 ATOM 2431 C CG . GLU A 1 258 ? 49.724 20.266 36.265 1.00 25.33 ? 259 GLU A CG 1 ATOM 2432 C CD . GLU A 1 258 ? 48.975 19.345 37.245 1.00 31.49 ? 259 GLU A CD 1 ATOM 2433 O OE1 . GLU A 1 258 ? 49.132 18.099 37.161 1.00 35.62 ? 259 GLU A OE1 1 ATOM 2434 O OE2 . GLU A 1 258 ? 48.213 19.862 38.096 1.00 34.89 ? 259 GLU A OE2 1 ATOM 2435 H H . GLU A 1 258 ? 49.482 20.501 33.058 1.00 9.36 ? 259 GLU A H 1 ATOM 2436 N N . ALA A 1 259 ? 52.058 19.208 32.187 1.00 9.73 ? 260 ALA A N 1 ATOM 2437 C CA . ALA A 1 259 ? 52.921 18.336 31.408 1.00 9.79 ? 260 ALA A CA 1 ATOM 2438 C C . ALA A 1 259 ? 54.218 18.990 30.991 1.00 9.93 ? 260 ALA A C 1 ATOM 2439 O O . ALA A 1 259 ? 54.285 20.207 30.837 1.00 8.99 ? 260 ALA A O 1 ATOM 2440 C CB . ALA A 1 259 ? 52.181 17.857 30.159 1.00 9.19 ? 260 ALA A CB 1 ATOM 2441 H H . ALA A 1 259 ? 51.319 19.644 31.720 1.00 9.73 ? 260 ALA A H 1 ATOM 2442 N N . GLY A 1 260 ? 55.258 18.177 30.843 1.00 9.27 ? 261 GLY A N 1 ATOM 2443 C CA . GLY A 1 260 ? 56.523 18.692 30.352 1.00 9.00 ? 261 GLY A CA 1 ATOM 2444 C C . GLY A 1 260 ? 56.409 18.600 28.833 1.00 8.91 ? 261 GLY A C 1 ATOM 2445 O O . GLY A 1 260 ? 55.314 18.368 28.296 1.00 8.78 ? 261 GLY A O 1 ATOM 2446 H H . GLY A 1 260 ? 55.172 17.223 31.060 1.00 9.27 ? 261 GLY A H 1 ATOM 2447 N N . CYS A 1 261 ? 57.516 18.750 28.120 1.00 8.27 ? 262 CYS A N 1 ATOM 2448 C CA . CYS A 1 261 ? 57.479 18.675 26.667 1.00 7.22 ? 262 CYS A CA 1 ATOM 2449 C C . CYS A 1 261 ? 57.548 17.211 26.234 1.00 8.38 ? 262 CYS A C 1 ATOM 2450 O O . CYS A 1 261 ? 58.477 16.806 25.543 1.00 6.09 ? 262 CYS A O 1 ATOM 2451 C CB . CYS A 1 261 ? 58.639 19.481 26.083 1.00 6.67 ? 262 CYS A CB 1 ATOM 2452 S SG . CYS A 1 261 ? 58.604 21.212 26.659 1.00 5.26 ? 262 CYS A SG 1 ATOM 2453 H H . CYS A 1 261 ? 58.372 18.886 28.575 1.00 8.27 ? 262 CYS A H 1 ATOM 2454 N N . ASP A 1 262 ? 56.515 16.451 26.603 1.00 8.57 ? 263 ASP A N 1 ATOM 2455 C CA . ASP A 1 262 ? 56.417 15.020 26.335 1.00 8.62 ? 263 ASP A CA 1 ATOM 2456 C C . ASP A 1 262 ? 56.072 14.632 24.912 1.00 7.86 ? 263 ASP A C 1 ATOM 2457 O O . ASP A 1 262 ? 54.999 14.964 24.396 1.00 5.54 ? 263 ASP A O 1 ATOM 2458 C CB . ASP A 1 262 ? 55.399 14.368 27.277 1.00 10.19 ? 263 ASP A CB 1 ATOM 2459 C CG . ASP A 1 262 ? 55.772 14.526 28.740 1.00 14.53 ? 263 ASP A CG 1 ATOM 2460 O OD1 . ASP A 1 262 ? 56.926 14.910 29.035 1.00 13.73 ? 263 ASP A OD1 1 ATOM 2461 O OD2 . ASP A 1 262 ? 54.918 14.247 29.603 1.00 15.42 ? 263 ASP A OD2 1 ATOM 2462 H H . ASP A 1 262 ? 55.768 16.861 27.091 1.00 8.57 ? 263 ASP A H 1 ATOM 2463 N N . ASP A 1 263 ? 56.995 13.911 24.294 1.00 4.33 ? 264 ASP A N 1 ATOM 2464 C CA . ASP A 1 263 ? 56.829 13.421 22.944 1.00 3.95 ? 264 ASP A CA 1 ATOM 2465 C C . ASP A 1 263 ? 55.745 12.343 22.867 1.00 4.43 ? 264 ASP A C 1 ATOM 2466 O O . ASP A 1 263 ? 55.010 12.262 21.881 1.00 5.82 ? 264 ASP A O 1 ATOM 2467 C CB . ASP A 1 263 ? 58.148 12.816 22.461 1.00 6.45 ? 264 ASP A CB 1 ATOM 2468 C CG . ASP A 1 263 ? 59.014 13.806 21.702 1.00 10.19 ? 264 ASP A CG 1 ATOM 2469 O OD1 . ASP A 1 263 ? 58.539 14.879 21.288 1.00 9.86 ? 264 ASP A OD1 1 ATOM 2470 O OD2 . ASP A 1 263 ? 60.183 13.483 21.471 1.00 12.98 ? 264 ASP A OD2 1 ATOM 2471 H H . ASP A 1 263 ? 57.822 13.701 24.776 1.00 4.33 ? 264 ASP A H 1 ATOM 2472 N N . SER A 1 264 ? 55.653 11.488 23.884 1.00 3.20 ? 265 SER A N 1 ATOM 2473 C CA . SER A 1 264 ? 54.673 10.400 23.833 1.00 4.88 ? 265 SER A CA 1 ATOM 2474 C C . SER A 1 264 ? 53.228 10.865 23.754 1.00 5.40 ? 265 SER A C 1 ATOM 2475 O O . SER A 1 264 ? 52.379 10.173 23.203 1.00 6.46 ? 265 SER A O 1 ATOM 2476 C CB . SER A 1 264 ? 54.867 9.433 25.006 1.00 6.29 ? 265 SER A CB 1 ATOM 2477 O OG . SER A 1 264 ? 54.760 10.101 26.243 1.00 8.34 ? 265 SER A OG 1 ATOM 2478 H H . SER A 1 264 ? 56.239 11.563 24.673 1.00 3.20 ? 265 SER A H 1 ATOM 2479 H HG . SER A 1 264 ? 54.720 9.377 26.883 1.00 8.34 ? 265 SER A HG 1 ATOM 2480 N N . THR A 1 265 ? 52.939 12.023 24.335 1.00 5.66 ? 266 THR A N 1 ATOM 2481 C CA . THR A 1 265 ? 51.592 12.557 24.293 1.00 5.00 ? 266 THR A CA 1 ATOM 2482 C C . THR A 1 265 ? 51.520 13.762 23.378 1.00 5.63 ? 266 THR A C 1 ATOM 2483 O O . THR A 1 265 ? 50.517 14.459 23.363 1.00 5.48 ? 266 THR A O 1 ATOM 2484 C CB . THR A 1 265 ? 51.073 12.922 25.689 1.00 5.95 ? 266 THR A CB 1 ATOM 2485 O OG1 . THR A 1 265 ? 51.990 13.831 26.315 1.00 7.36 ? 266 THR A OG1 1 ATOM 2486 C CG2 . THR A 1 265 ? 50.927 11.670 26.538 1.00 4.65 ? 266 THR A CG2 1 ATOM 2487 H H . THR A 1 265 ? 53.606 12.531 24.844 1.00 5.66 ? 266 THR A H 1 ATOM 2488 H HG1 . THR A 1 265 ? 51.701 14.014 27.217 1.00 7.36 ? 266 THR A HG1 1 ATOM 2489 N N . PHE A 1 266 ? 52.602 14.012 22.636 1.00 4.48 ? 267 PHE A N 1 ATOM 2490 C CA . PHE A 1 266 ? 52.662 15.121 21.674 1.00 6.24 ? 267 PHE A CA 1 ATOM 2491 C C . PHE A 1 266 ? 52.232 16.489 22.223 1.00 4.15 ? 267 PHE A C 1 ATOM 2492 O O . PHE A 1 266 ? 51.487 17.229 21.567 1.00 6.16 ? 267 PHE A O 1 ATOM 2493 C CB . PHE A 1 266 ? 51.849 14.761 20.419 1.00 5.06 ? 267 PHE A CB 1 ATOM 2494 C CG . PHE A 1 266 ? 52.279 13.470 19.771 1.00 7.13 ? 267 PHE A CG 1 ATOM 2495 C CD1 . PHE A 1 266 ? 51.792 12.252 20.229 1.00 5.20 ? 267 PHE A CD1 1 ATOM 2496 C CD2 . PHE A 1 266 ? 53.183 13.475 18.703 1.00 7.46 ? 267 PHE A CD2 1 ATOM 2497 C CE1 . PHE A 1 266 ? 52.193 11.045 19.634 1.00 6.04 ? 267 PHE A CE1 1 ATOM 2498 C CE2 . PHE A 1 266 ? 53.588 12.285 18.103 1.00 8.39 ? 267 PHE A CE2 1 ATOM 2499 C CZ . PHE A 1 266 ? 53.089 11.064 18.573 1.00 8.38 ? 267 PHE A CZ 1 ATOM 2500 H H . PHE A 1 266 ? 53.388 13.432 22.726 1.00 4.48 ? 267 PHE A H 1 ATOM 2501 N N . GLN A 1 267 ? 52.738 16.836 23.402 1.00 3.77 ? 268 GLN A N 1 ATOM 2502 C CA . GLN A 1 267 ? 52.411 18.112 24.043 1.00 4.60 ? 268 GLN A CA 1 ATOM 2503 C C . GLN A 1 267 ? 52.886 19.241 23.141 1.00 5.07 ? 268 GLN A C 1 ATOM 2504 O O . GLN A 1 267 ? 53.834 19.053 22.371 1.00 5.58 ? 268 GLN A O 1 ATOM 2505 C CB . GLN A 1 267 ? 53.066 18.198 25.431 1.00 3.86 ? 268 GLN A CB 1 ATOM 2506 C CG . GLN A 1 267 ? 52.391 17.295 26.472 1.00 5.17 ? 268 GLN A CG 1 ATOM 2507 C CD . GLN A 1 267 ? 50.924 17.629 26.648 1.00 3.00 ? 268 GLN A CD 1 ATOM 2508 O OE1 . GLN A 1 267 ? 50.587 18.736 27.042 1.00 3.27 ? 268 GLN A OE1 1 ATOM 2509 N NE2 . GLN A 1 267 ? 50.047 16.694 26.315 1.00 4.00 ? 268 GLN A NE2 1 ATOM 2510 H H . GLN A 1 267 ? 53.356 16.212 23.839 1.00 3.77 ? 268 GLN A H 1 ATOM 2511 H HE21 . GLN A 1 267 ? 49.094 16.926 26.396 1.00 4.00 ? 268 GLN A HE21 1 ATOM 2512 H HE22 . GLN A 1 267 ? 50.374 15.826 25.994 1.00 4.00 ? 268 GLN A HE22 1 ATOM 2513 N N . PRO A 1 268 ? 52.281 20.440 23.254 1.00 5.04 ? 269 PRO A N 1 ATOM 2514 C CA . PRO A 1 268 ? 52.671 21.579 22.413 1.00 4.11 ? 269 PRO A CA 1 ATOM 2515 C C . PRO A 1 268 ? 54.172 21.894 22.292 1.00 5.46 ? 269 PRO A C 1 ATOM 2516 O O . PRO A 1 268 ? 54.628 22.293 21.221 1.00 5.98 ? 269 PRO A O 1 ATOM 2517 C CB . PRO A 1 268 ? 51.889 22.735 23.029 1.00 5.08 ? 269 PRO A CB 1 ATOM 2518 C CG . PRO A 1 268 ? 50.609 22.054 23.491 1.00 7.39 ? 269 PRO A CG 1 ATOM 2519 C CD . PRO A 1 268 ? 51.174 20.811 24.161 1.00 6.03 ? 269 PRO A CD 1 ATOM 2520 N N . CYS A 1 269 ? 54.931 21.752 23.380 1.00 5.42 ? 270 CYS A N 1 ATOM 2521 C CA . CYS A 1 269 ? 56.372 22.018 23.338 1.00 4.94 ? 270 CYS A CA 1 ATOM 2522 C C . CYS A 1 269 ? 57.260 20.792 23.064 1.00 5.88 ? 270 CYS A C 1 ATOM 2523 O O . CYS A 1 269 ? 58.490 20.912 23.080 1.00 7.66 ? 270 CYS A O 1 ATOM 2524 C CB . CYS A 1 269 ? 56.842 22.744 24.612 1.00 3.00 ? 270 CYS A CB 1 ATOM 2525 S SG . CYS A 1 269 ? 56.723 21.831 26.188 1.00 4.83 ? 270 CYS A SG 1 ATOM 2526 H H . CYS A 1 269 ? 54.502 21.521 24.231 1.00 5.42 ? 270 CYS A H 1 ATOM 2527 N N . SER A 1 270 ? 56.668 19.617 22.844 1.00 3.90 ? 271 SER A N 1 ATOM 2528 C CA . SER A 1 270 ? 57.472 18.427 22.561 1.00 5.69 ? 271 SER A CA 1 ATOM 2529 C C . SER A 1 270 ? 58.218 18.613 21.235 1.00 4.60 ? 271 SER A C 1 ATOM 2530 O O . SER A 1 270 ? 57.705 19.248 20.315 1.00 4.64 ? 271 SER A O 1 ATOM 2531 C CB . SER A 1 270 ? 56.588 17.166 22.483 1.00 5.03 ? 271 SER A CB 1 ATOM 2532 O OG . SER A 1 270 ? 55.708 17.206 21.371 1.00 5.54 ? 271 SER A OG 1 ATOM 2533 H H . SER A 1 270 ? 55.692 19.556 22.830 1.00 3.90 ? 271 SER A H 1 ATOM 2534 H HG . SER A 1 270 ? 55.044 17.897 21.511 1.00 5.54 ? 271 SER A HG 1 ATOM 2535 N N . PRO A 1 271 ? 59.456 18.103 21.135 1.00 5.14 ? 272 PRO A N 1 ATOM 2536 C CA . PRO A 1 271 ? 60.198 18.261 19.882 1.00 5.99 ? 272 PRO A CA 1 ATOM 2537 C C . PRO A 1 271 ? 59.362 17.760 18.698 1.00 6.92 ? 272 PRO A C 1 ATOM 2538 O O . PRO A 1 271 ? 59.339 18.382 17.641 1.00 6.59 ? 272 PRO A O 1 ATOM 2539 C CB . PRO A 1 271 ? 61.429 17.386 20.111 1.00 5.74 ? 272 PRO A CB 1 ATOM 2540 C CG . PRO A 1 271 ? 61.678 17.573 21.568 1.00 7.39 ? 272 PRO A CG 1 ATOM 2541 C CD . PRO A 1 271 ? 60.293 17.456 22.163 1.00 4.73 ? 272 PRO A CD 1 ATOM 2542 N N . ARG A 1 272 ? 58.641 16.657 18.892 1.00 5.90 ? 273 ARG A N 1 ATOM 2543 C CA . ARG A 1 272 ? 57.812 16.112 17.826 1.00 6.82 ? 273 ARG A CA 1 ATOM 2544 C C . ARG A 1 272 ? 56.716 17.089 17.403 1.00 6.25 ? 273 ARG A C 1 ATOM 2545 O O . ARG A 1 272 ? 56.505 17.288 16.204 1.00 6.40 ? 273 ARG A O 1 ATOM 2546 C CB . ARG A 1 272 ? 57.166 14.795 18.242 1.00 7.49 ? 273 ARG A CB 1 ATOM 2547 C CG . ARG A 1 272 ? 58.082 13.594 18.322 1.00 11.41 ? 273 ARG A CG 1 ATOM 2548 C CD . ARG A 1 272 ? 57.218 12.435 18.784 1.00 15.43 ? 273 ARG A CD 1 ATOM 2549 N NE . ARG A 1 272 ? 57.924 11.169 18.910 1.00 18.81 ? 273 ARG A NE 1 ATOM 2550 C CZ . ARG A 1 272 ? 57.396 10.080 19.477 1.00 20.07 ? 273 ARG A CZ 1 ATOM 2551 N NH1 . ARG A 1 272 ? 56.157 10.093 19.985 1.00 16.02 ? 273 ARG A NH1 1 ATOM 2552 N NH2 . ARG A 1 272 ? 58.097 8.961 19.501 1.00 19.64 ? 273 ARG A NH2 1 ATOM 2553 H H . ARG A 1 272 ? 58.658 16.214 19.758 1.00 5.90 ? 273 ARG A H 1 ATOM 2554 H HE . ARG A 1 272 ? 58.836 11.121 18.552 1.00 18.81 ? 273 ARG A HE 1 ATOM 2555 H HH11 . ARG A 1 272 ? 55.598 10.927 19.967 1.00 16.02 ? 273 ARG A HH11 1 ATOM 2556 H HH12 . ARG A 1 272 ? 55.772 9.269 20.413 1.00 16.02 ? 273 ARG A HH12 1 ATOM 2557 H HH21 . ARG A 1 272 ? 59.004 8.927 19.096 1.00 19.64 ? 273 ARG A HH21 1 ATOM 2558 H HH22 . ARG A 1 272 ? 57.746 8.125 19.941 1.00 19.64 ? 273 ARG A HH22 1 ATOM 2559 N N . ALA A 1 273 ? 56.022 17.698 18.372 1.00 5.75 ? 274 ALA A N 1 ATOM 2560 C CA . ALA A 1 273 ? 54.952 18.653 18.056 1.00 4.90 ? 274 ALA A CA 1 ATOM 2561 C C . ALA A 1 273 ? 55.492 19.951 17.430 1.00 4.20 ? 274 ALA A C 1 ATOM 2562 O O . ALA A 1 273 ? 54.819 20.567 16.605 1.00 3.48 ? 274 ALA A O 1 ATOM 2563 C CB . ALA A 1 273 ? 54.112 18.959 19.298 1.00 4.76 ? 274 ALA A CB 1 ATOM 2564 H H . ALA A 1 273 ? 56.219 17.507 19.315 1.00 5.75 ? 274 ALA A H 1 ATOM 2565 N N . LEU A 1 274 ? 56.698 20.374 17.815 1.00 3.00 ? 275 LEU A N 1 ATOM 2566 C CA . LEU A 1 274 ? 57.278 21.593 17.238 1.00 3.97 ? 275 LEU A CA 1 ATOM 2567 C C . LEU A 1 274 ? 57.738 21.307 15.805 1.00 3.00 ? 275 LEU A C 1 ATOM 2568 O O . LEU A 1 274 ? 57.440 22.069 14.893 1.00 4.43 ? 275 LEU A O 1 ATOM 2569 C CB . LEU A 1 274 ? 58.433 22.131 18.101 1.00 3.78 ? 275 LEU A CB 1 ATOM 2570 C CG . LEU A 1 274 ? 58.026 22.617 19.503 1.00 3.52 ? 275 LEU A CG 1 ATOM 2571 C CD1 . LEU A 1 274 ? 59.246 22.961 20.316 1.00 4.56 ? 275 LEU A CD1 1 ATOM 2572 C CD2 . LEU A 1 274 ? 57.120 23.823 19.405 1.00 5.03 ? 275 LEU A CD2 1 ATOM 2573 H H . LEU A 1 274 ? 57.180 19.870 18.506 1.00 3.00 ? 275 LEU A H 1 ATOM 2574 N N . ALA A 1 275 ? 58.404 20.177 15.598 1.00 4.07 ? 276 ALA A N 1 ATOM 2575 C CA . ALA A 1 275 ? 58.856 19.798 14.266 1.00 3.87 ? 276 ALA A CA 1 ATOM 2576 C C . ALA A 1 275 ? 57.629 19.694 13.363 1.00 4.44 ? 276 ALA A C 1 ATOM 2577 O O . ALA A 1 275 ? 57.638 20.209 12.236 1.00 5.45 ? 276 ALA A O 1 ATOM 2578 C CB . ALA A 1 275 ? 59.604 18.462 14.310 1.00 3.04 ? 276 ALA A CB 1 ATOM 2579 H H . ALA A 1 275 ? 58.598 19.583 16.352 1.00 4.07 ? 276 ALA A H 1 ATOM 2580 N N . ASN A 1 276 ? 56.560 19.076 13.872 1.00 3.00 ? 277 ASN A N 1 ATOM 2581 C CA . ASN A 1 276 ? 55.317 18.916 13.111 1.00 4.03 ? 277 ASN A CA 1 ATOM 2582 C C . ASN A 1 276 ? 54.706 20.264 12.750 1.00 6.19 ? 277 ASN A C 1 ATOM 2583 O O . ASN A 1 276 ? 54.182 20.449 11.646 1.00 5.30 ? 277 ASN A O 1 ATOM 2584 C CB . ASN A 1 276 ? 54.281 18.104 13.895 1.00 3.00 ? 277 ASN A CB 1 ATOM 2585 C CG . ASN A 1 276 ? 52.961 17.920 13.127 1.00 5.39 ? 277 ASN A CG 1 ATOM 2586 O OD1 . ASN A 1 276 ? 52.917 17.250 12.090 1.00 3.75 ? 277 ASN A OD1 1 ATOM 2587 N ND2 . ASN A 1 276 ? 51.879 18.497 13.652 1.00 3.26 ? 277 ASN A ND2 1 ATOM 2588 H H . ASN A 1 276 ? 56.623 18.687 14.781 1.00 3.00 ? 277 ASN A H 1 ATOM 2589 H HD21 . ASN A 1 276 ? 51.025 18.439 13.169 1.00 3.26 ? 277 ASN A HD21 1 ATOM 2590 H HD22 . ASN A 1 276 ? 51.975 18.987 14.502 1.00 3.26 ? 277 ASN A HD22 1 ATOM 2591 N N . HIS A 1 277 ? 54.738 21.190 13.708 1.00 6.04 ? 278 HIS A N 1 ATOM 2592 C CA . HIS A 1 277 ? 54.192 22.527 13.514 1.00 6.01 ? 278 HIS A CA 1 ATOM 2593 C C . HIS A 1 277 ? 54.806 23.213 12.274 1.00 7.10 ? 278 HIS A C 1 ATOM 2594 O O . HIS A 1 277 ? 54.080 23.752 11.439 1.00 6.32 ? 278 HIS A O 1 ATOM 2595 C CB . HIS A 1 277 ? 54.413 23.352 14.793 1.00 7.65 ? 278 HIS A CB 1 ATOM 2596 C CG . HIS A 1 277 ? 53.735 24.684 14.791 1.00 8.06 ? 278 HIS A CG 1 ATOM 2597 N ND1 . HIS A 1 277 ? 54.257 25.786 14.139 1.00 8.64 ? 278 HIS A ND1 1 ATOM 2598 C CD2 . HIS A 1 277 ? 52.581 25.101 15.366 1.00 7.47 ? 278 HIS A CD2 1 ATOM 2599 C CE1 . HIS A 1 277 ? 53.451 26.817 14.312 1.00 8.16 ? 278 HIS A CE1 1 ATOM 2600 N NE2 . HIS A 1 277 ? 52.427 26.429 15.054 1.00 8.41 ? 278 HIS A NE2 1 ATOM 2601 H H . HIS A 1 277 ? 55.130 20.955 14.574 1.00 6.04 ? 278 HIS A H 1 ATOM 2602 H HD1 . HIS A 1 277 ? 55.078 25.821 13.590 1.00 8.64 ? 278 HIS A HD1 1 ATOM 2603 H HE2 . HIS A 1 277 ? 51.702 27.008 15.365 1.00 8.41 ? 278 HIS A HE2 1 ATOM 2604 N N . LYS A 1 278 ? 56.132 23.179 12.144 1.00 6.66 ? 279 LYS A N 1 ATOM 2605 C CA . LYS A 1 278 ? 56.772 23.787 10.981 1.00 6.72 ? 279 LYS A CA 1 ATOM 2606 C C . LYS A 1 278 ? 56.407 23.068 9.687 1.00 6.35 ? 279 LYS A C 1 ATOM 2607 O O . LYS A 1 278 ? 56.146 23.711 8.685 1.00 6.83 ? 279 LYS A O 1 ATOM 2608 C CB . LYS A 1 278 ? 58.289 23.838 11.123 1.00 7.17 ? 279 LYS A CB 1 ATOM 2609 C CG . LYS A 1 278 ? 58.945 24.537 9.930 1.00 5.45 ? 279 LYS A CG 1 ATOM 2610 C CD . LYS A 1 278 ? 60.412 24.818 10.145 1.00 8.07 ? 279 LYS A CD 1 ATOM 2611 C CE . LYS A 1 278 ? 61.048 25.331 8.851 1.00 6.30 ? 279 LYS A CE 1 ATOM 2612 N NZ . LYS A 1 278 ? 60.305 26.490 8.268 1.00 7.72 ? 279 LYS A NZ 1 ATOM 2613 H H . LYS A 1 278 ? 56.686 22.727 12.821 1.00 6.66 ? 279 LYS A H 1 ATOM 2614 H HZ1 . LYS A 1 278 ? 60.209 27.282 8.938 1.00 7.72 ? 279 LYS A HZ1 1 ATOM 2615 H HZ2 . LYS A 1 278 ? 60.849 26.808 7.437 1.00 7.72 ? 279 LYS A HZ2 1 ATOM 2616 H HZ3 . LYS A 1 278 ? 59.360 26.203 7.936 1.00 7.72 ? 279 LYS A HZ3 1 ATOM 2617 N N . GLU A 1 279 ? 56.415 21.736 9.700 1.00 7.24 ? 280 GLU A N 1 ATOM 2618 C CA . GLU A 1 279 ? 56.059 20.963 8.516 1.00 8.16 ? 280 GLU A CA 1 ATOM 2619 C C . GLU A 1 279 ? 54.636 21.285 8.035 1.00 8.55 ? 280 GLU A C 1 ATOM 2620 O O . GLU A 1 279 ? 54.404 21.443 6.836 1.00 8.58 ? 280 GLU A O 1 ATOM 2621 C CB . GLU A 1 279 ? 56.160 19.461 8.796 1.00 9.55 ? 280 GLU A CB 1 ATOM 2622 C CG . GLU A 1 279 ? 57.566 18.943 9.013 1.00 14.79 ? 280 GLU A CG 1 ATOM 2623 C CD . GLU A 1 279 ? 58.322 18.656 7.715 1.00 16.87 ? 280 GLU A CD 1 ATOM 2624 O OE1 . GLU A 1 279 ? 57.722 18.632 6.622 1.00 17.73 ? 280 GLU A OE1 1 ATOM 2625 O OE2 . GLU A 1 279 ? 59.538 18.418 7.795 1.00 22.10 ? 280 GLU A OE2 1 ATOM 2626 H H . GLU A 1 279 ? 56.663 21.245 10.515 1.00 7.24 ? 280 GLU A H 1 ATOM 2627 N N . VAL A 1 280 ? 53.678 21.350 8.958 1.00 8.58 ? 281 VAL A N 1 ATOM 2628 C CA . VAL A 1 280 ? 52.286 21.636 8.587 1.00 6.54 ? 281 VAL A CA 1 ATOM 2629 C C . VAL A 1 280 ? 52.113 23.059 8.078 1.00 5.49 ? 281 VAL A C 1 ATOM 2630 O O . VAL A 1 280 ? 51.622 23.268 6.977 1.00 5.22 ? 281 VAL A O 1 ATOM 2631 C CB . VAL A 1 280 ? 51.299 21.377 9.763 1.00 6.26 ? 281 VAL A CB 1 ATOM 2632 C CG1 . VAL A 1 280 ? 49.875 21.856 9.401 1.00 3.87 ? 281 VAL A CG1 1 ATOM 2633 C CG2 . VAL A 1 280 ? 51.284 19.894 10.106 1.00 3.75 ? 281 VAL A CG2 1 ATOM 2634 H H . VAL A 1 280 ? 53.909 21.199 9.895 1.00 8.58 ? 281 VAL A H 1 ATOM 2635 N N . VAL A 1 281 ? 52.551 24.034 8.860 1.00 5.06 ? 282 VAL A N 1 ATOM 2636 C CA . VAL A 1 281 ? 52.419 25.429 8.459 1.00 6.88 ? 282 VAL A CA 1 ATOM 2637 C C . VAL A 1 281 ? 53.122 25.714 7.115 1.00 7.91 ? 282 VAL A C 1 ATOM 2638 O O . VAL A 1 281 ? 52.564 26.390 6.238 1.00 6.21 ? 282 VAL A O 1 ATOM 2639 C CB . VAL A 1 281 ? 52.965 26.369 9.556 1.00 7.82 ? 282 VAL A CB 1 ATOM 2640 C CG1 . VAL A 1 281 ? 53.008 27.804 9.037 1.00 7.32 ? 282 VAL A CG1 1 ATOM 2641 C CG2 . VAL A 1 281 ? 52.091 26.279 10.811 1.00 7.12 ? 282 VAL A CG2 1 ATOM 2642 H H . VAL A 1 281 ? 52.974 23.823 9.720 1.00 5.06 ? 282 VAL A H 1 ATOM 2643 N N . ASP A 1 282 ? 54.330 25.182 6.945 1.00 6.97 ? 283 ASP A N 1 ATOM 2644 C CA . ASP A 1 282 ? 55.082 25.384 5.706 1.00 9.12 ? 283 ASP A CA 1 ATOM 2645 C C . ASP A 1 282 ? 54.346 24.858 4.470 1.00 9.95 ? 283 ASP A C 1 ATOM 2646 O O . ASP A 1 282 ? 54.552 25.376 3.367 1.00 10.13 ? 283 ASP A O 1 ATOM 2647 C CB . ASP A 1 282 ? 56.453 24.693 5.774 1.00 7.66 ? 283 ASP A CB 1 ATOM 2648 C CG . ASP A 1 282 ? 57.485 25.484 6.553 1.00 8.71 ? 283 ASP A CG 1 ATOM 2649 O OD1 . ASP A 1 282 ? 57.176 26.557 7.092 1.00 9.75 ? 283 ASP A OD1 1 ATOM 2650 O OD2 . ASP A 1 282 ? 58.633 25.013 6.632 1.00 10.21 ? 283 ASP A OD2 1 ATOM 2651 H H . ASP A 1 282 ? 54.742 24.653 7.659 1.00 6.97 ? 283 ASP A H 1 ATOM 2652 N N . SER A 1 283 ? 53.514 23.824 4.639 1.00 9.58 ? 284 SER A N 1 ATOM 2653 C CA . SER A 1 283 ? 52.787 23.249 3.503 1.00 9.07 ? 284 SER A CA 1 ATOM 2654 C C . SER A 1 283 ? 51.759 24.208 2.886 1.00 8.76 ? 284 SER A C 1 ATOM 2655 O O . SER A 1 283 ? 51.276 23.982 1.777 1.00 9.12 ? 284 SER A O 1 ATOM 2656 C CB . SER A 1 283 ? 52.142 21.899 3.872 1.00 11.14 ? 284 SER A CB 1 ATOM 2657 O OG . SER A 1 283 ? 50.949 22.054 4.633 1.00 12.45 ? 284 SER A OG 1 ATOM 2658 H H . SER A 1 283 ? 53.385 23.436 5.534 1.00 9.58 ? 284 SER A H 1 ATOM 2659 H HG . SER A 1 283 ? 51.144 22.468 5.471 1.00 12.45 ? 284 SER A HG 1 ATOM 2660 N N . PHE A 1 284 ? 51.485 25.319 3.560 1.00 8.04 ? 285 PHE A N 1 ATOM 2661 C CA . PHE A 1 284 ? 50.526 26.290 3.042 1.00 9.34 ? 285 PHE A CA 1 ATOM 2662 C C . PHE A 1 284 ? 51.181 27.537 2.471 1.00 10.34 ? 285 PHE A C 1 ATOM 2663 O O . PHE A 1 284 ? 50.523 28.357 1.827 1.00 8.89 ? 285 PHE A O 1 ATOM 2664 C CB . PHE A 1 284 ? 49.549 26.697 4.138 1.00 8.27 ? 285 PHE A CB 1 ATOM 2665 C CG . PHE A 1 284 ? 48.757 25.555 4.670 1.00 8.11 ? 285 PHE A CG 1 ATOM 2666 C CD1 . PHE A 1 284 ? 47.703 25.023 3.928 1.00 5.30 ? 285 PHE A CD1 1 ATOM 2667 C CD2 . PHE A 1 284 ? 49.089 24.976 5.900 1.00 5.62 ? 285 PHE A CD2 1 ATOM 2668 C CE1 . PHE A 1 284 ? 46.989 23.921 4.406 1.00 7.44 ? 285 PHE A CE1 1 ATOM 2669 C CE2 . PHE A 1 284 ? 48.384 23.871 6.391 1.00 4.02 ? 285 PHE A CE2 1 ATOM 2670 C CZ . PHE A 1 284 ? 47.334 23.341 5.649 1.00 4.59 ? 285 PHE A CZ 1 ATOM 2671 H H . PHE A 1 284 ? 51.907 25.490 4.432 1.00 8.04 ? 285 PHE A H 1 ATOM 2672 N N . ARG A 1 285 ? 52.488 27.651 2.666 1.00 11.43 ? 286 ARG A N 1 ATOM 2673 C CA . ARG A 1 285 ? 53.221 28.820 2.206 1.00 12.85 ? 286 ARG A CA 1 ATOM 2674 C C . ARG A 1 285 ? 53.179 29.078 0.715 1.00 13.29 ? 286 ARG A C 1 ATOM 2675 O O . ARG A 1 285 ? 53.028 30.214 0.303 1.00 13.78 ? 286 ARG A O 1 ATOM 2676 C CB . ARG A 1 285 ? 54.669 28.767 2.682 1.00 10.59 ? 286 ARG A CB 1 ATOM 2677 C CG . ARG A 1 285 ? 54.795 28.837 4.186 1.00 11.81 ? 286 ARG A CG 1 ATOM 2678 C CD . ARG A 1 285 ? 56.249 28.919 4.663 1.00 9.99 ? 286 ARG A CD 1 ATOM 2679 N NE . ARG A 1 285 ? 56.281 29.069 6.116 1.00 10.67 ? 286 ARG A NE 1 ATOM 2680 C CZ . ARG A 1 285 ? 56.234 30.233 6.754 1.00 10.99 ? 286 ARG A CZ 1 ATOM 2681 N NH1 . ARG A 1 285 ? 56.181 31.363 6.074 1.00 9.31 ? 286 ARG A NH1 1 ATOM 2682 N NH2 . ARG A 1 285 ? 56.153 30.256 8.076 1.00 8.86 ? 286 ARG A NH2 1 ATOM 2683 H H . ARG A 1 285 ? 52.973 26.936 3.124 1.00 11.43 ? 286 ARG A H 1 ATOM 2684 H HE . ARG A 1 285 ? 56.345 28.256 6.649 1.00 10.67 ? 286 ARG A HE 1 ATOM 2685 H HH11 . ARG A 1 285 ? 56.196 31.358 5.068 1.00 9.31 ? 286 ARG A HH11 1 ATOM 2686 H HH12 . ARG A 1 285 ? 56.160 32.251 6.540 1.00 9.31 ? 286 ARG A HH12 1 ATOM 2687 H HH21 . ARG A 1 285 ? 56.142 29.400 8.603 1.00 8.86 ? 286 ARG A HH21 1 ATOM 2688 H HH22 . ARG A 1 285 ? 56.108 31.141 8.554 1.00 8.86 ? 286 ARG A HH22 1 ATOM 2689 N N . SER A 1 286 ? 53.257 28.034 -0.094 1.00 15.61 ? 287 SER A N 1 ATOM 2690 C CA . SER A 1 286 ? 53.253 28.244 -1.531 1.00 18.67 ? 287 SER A CA 1 ATOM 2691 C C . SER A 1 286 ? 51.936 28.000 -2.263 1.00 19.80 ? 287 SER A C 1 ATOM 2692 O O . SER A 1 286 ? 51.858 28.241 -3.468 1.00 21.70 ? 287 SER A O 1 ATOM 2693 C CB . SER A 1 286 ? 54.357 27.409 -2.181 1.00 21.37 ? 287 SER A CB 1 ATOM 2694 O OG . SER A 1 286 ? 54.074 26.019 -2.078 1.00 28.69 ? 287 SER A OG 1 ATOM 2695 H H . SER A 1 286 ? 53.333 27.123 0.256 1.00 15.61 ? 287 SER A H 1 ATOM 2696 H HG . SER A 1 286 ? 54.298 25.703 -1.187 1.00 28.69 ? 287 SER A HG 1 ATOM 2697 N N . ILE A 1 287 ? 50.896 27.553 -1.562 1.00 18.10 ? 288 ILE A N 1 ATOM 2698 C CA . ILE A 1 287 ? 49.639 27.261 -2.247 1.00 17.33 ? 288 ILE A CA 1 ATOM 2699 C C . ILE A 1 287 ? 48.571 28.341 -2.187 1.00 16.53 ? 288 ILE A C 1 ATOM 2700 O O . ILE A 1 287 ? 47.596 28.293 -2.935 1.00 15.99 ? 288 ILE A O 1 ATOM 2701 C CB . ILE A 1 287 ? 49.038 25.903 -1.815 1.00 17.59 ? 288 ILE A CB 1 ATOM 2702 C CG1 . ILE A 1 287 ? 48.720 25.896 -0.319 1.00 17.13 ? 288 ILE A CG1 1 ATOM 2703 C CG2 . ILE A 1 287 ? 50.006 24.765 -2.162 1.00 19.37 ? 288 ILE A CG2 1 ATOM 2704 C CD1 . ILE A 1 287 ? 47.981 24.634 0.134 1.00 11.72 ? 288 ILE A CD1 1 ATOM 2705 H H . ILE A 1 287 ? 50.971 27.452 -0.595 1.00 18.10 ? 288 ILE A H 1 ATOM 2706 N N . TYR A 1 288 ? 48.739 29.308 -1.299 1.00 15.12 ? 289 TYR A N 1 ATOM 2707 C CA . TYR A 1 288 ? 47.769 30.378 -1.190 1.00 15.29 ? 289 TYR A CA 1 ATOM 2708 C C . TYR A 1 288 ? 48.399 31.677 -1.644 1.00 17.06 ? 289 TYR A C 1 ATOM 2709 O O . TYR A 1 288 ? 49.440 32.086 -1.130 1.00 18.03 ? 289 TYR A O 1 ATOM 2710 C CB . TYR A 1 288 ? 47.306 30.552 0.245 1.00 13.11 ? 289 TYR A CB 1 ATOM 2711 C CG . TYR A 1 288 ? 46.622 29.363 0.859 1.00 11.62 ? 289 TYR A CG 1 ATOM 2712 C CD1 . TYR A 1 288 ? 45.871 28.466 0.089 1.00 11.77 ? 289 TYR A CD1 1 ATOM 2713 C CD2 . TYR A 1 288 ? 46.694 29.155 2.233 1.00 12.55 ? 289 TYR A CD2 1 ATOM 2714 C CE1 . TYR A 1 288 ? 45.206 27.393 0.691 1.00 10.62 ? 289 TYR A CE1 1 ATOM 2715 C CE2 . TYR A 1 288 ? 46.035 28.099 2.840 1.00 11.06 ? 289 TYR A CE2 1 ATOM 2716 C CZ . TYR A 1 288 ? 45.295 27.224 2.073 1.00 11.19 ? 289 TYR A CZ 1 ATOM 2717 O OH . TYR A 1 288 ? 44.637 26.200 2.719 1.00 11.55 ? 289 TYR A OH 1 ATOM 2718 H H . TYR A 1 288 ? 49.526 29.338 -0.718 1.00 15.12 ? 289 TYR A H 1 ATOM 2719 H HH . TYR A 1 288 ? 44.146 25.733 2.043 1.00 11.55 ? 289 TYR A HH 1 ATOM 2720 N N . THR A 1 289 ? 47.744 32.335 -2.589 1.00 17.49 ? 290 THR A N 1 ATOM 2721 C CA . THR A 1 289 ? 48.192 33.616 -3.125 1.00 18.15 ? 290 THR A CA 1 ATOM 2722 C C . THR A 1 289 ? 48.317 34.600 -1.972 1.00 17.58 ? 290 THR A C 1 ATOM 2723 O O . THR A 1 289 ? 49.202 35.452 -1.948 1.00 16.71 ? 290 THR A O 1 ATOM 2724 C CB . THR A 1 289 ? 47.156 34.125 -4.160 1.00 19.29 ? 290 THR A CB 1 ATOM 2725 O OG1 . THR A 1 289 ? 47.443 33.530 -5.425 1.00 21.14 ? 290 THR A OG1 1 ATOM 2726 C CG2 . THR A 1 289 ? 47.145 35.652 -4.271 1.00 21.86 ? 290 THR A CG2 1 ATOM 2727 H H . THR A 1 289 ? 46.918 31.943 -2.946 1.00 17.49 ? 290 THR A H 1 ATOM 2728 H HG1 . THR A 1 289 ? 48.348 33.787 -5.654 1.00 21.14 ? 290 THR A HG1 1 ATOM 2729 N N . LEU A 1 290 ? 47.428 34.448 -1.000 1.00 15.78 ? 291 LEU A N 1 ATOM 2730 C CA . LEU A 1 290 ? 47.406 35.289 0.182 1.00 16.17 ? 291 LEU A CA 1 ATOM 2731 C C . LEU A 1 290 ? 48.751 35.238 0.918 1.00 14.72 ? 291 LEU A C 1 ATOM 2732 O O . LEU A 1 290 ? 49.112 36.170 1.621 1.00 14.26 ? 291 LEU A O 1 ATOM 2733 C CB . LEU A 1 290 ? 46.305 34.788 1.100 1.00 16.70 ? 291 LEU A CB 1 ATOM 2734 C CG . LEU A 1 290 ? 45.568 35.781 1.971 1.00 18.26 ? 291 LEU A CG 1 ATOM 2735 C CD1 . LEU A 1 290 ? 44.895 36.839 1.121 1.00 18.12 ? 291 LEU A CD1 1 ATOM 2736 C CD2 . LEU A 1 290 ? 44.535 35.004 2.758 1.00 18.95 ? 291 LEU A CD2 1 ATOM 2737 H H . LEU A 1 290 ? 46.732 33.751 -1.097 1.00 15.78 ? 291 LEU A H 1 ATOM 2738 N N . ASN A 1 291 ? 49.499 34.157 0.739 1.00 13.34 ? 292 ASN A N 1 ATOM 2739 C CA . ASN A 1 291 ? 50.785 34.008 1.416 1.00 14.11 ? 292 ASN A CA 1 ATOM 2740 C C . ASN A 1 291 ? 52.004 34.449 0.608 1.00 16.54 ? 292 ASN A C 1 ATOM 2741 O O . ASN A 1 291 ? 53.131 34.406 1.106 1.00 14.15 ? 292 ASN A O 1 ATOM 2742 C CB . ASN A 1 291 ? 50.975 32.561 1.878 1.00 10.96 ? 292 ASN A CB 1 ATOM 2743 C CG . ASN A 1 291 ? 50.009 32.171 2.978 1.00 9.46 ? 292 ASN A CG 1 ATOM 2744 O OD1 . ASN A 1 291 ? 49.461 33.035 3.677 1.00 9.54 ? 292 ASN A OD1 1 ATOM 2745 N ND2 . ASN A 1 291 ? 49.792 30.867 3.145 1.00 5.57 ? 292 ASN A ND2 1 ATOM 2746 H H . ASN A 1 291 ? 49.207 33.453 0.134 1.00 13.34 ? 292 ASN A H 1 ATOM 2747 H HD21 . ASN A 1 291 ? 49.174 30.570 3.849 1.00 5.57 ? 292 ASN A HD21 1 ATOM 2748 H HD22 . ASN A 1 291 ? 50.258 30.236 2.551 1.00 5.57 ? 292 ASN A HD22 1 ATOM 2749 N N . ASP A 1 292 ? 51.780 34.885 -0.624 1.00 19.26 ? 293 ASP A N 1 ATOM 2750 C CA . ASP A 1 292 ? 52.866 35.343 -1.492 1.00 22.41 ? 293 ASP A CA 1 ATOM 2751 C C . ASP A 1 292 ? 53.753 36.398 -0.827 1.00 22.33 ? 293 ASP A C 1 ATOM 2752 O O . ASP A 1 292 ? 53.256 37.335 -0.203 1.00 24.42 ? 293 ASP A O 1 ATOM 2753 C CB . ASP A 1 292 ? 52.301 35.963 -2.781 1.00 25.22 ? 293 ASP A CB 1 ATOM 2754 C CG . ASP A 1 292 ? 51.872 34.930 -3.817 1.00 30.10 ? 293 ASP A CG 1 ATOM 2755 O OD1 . ASP A 1 292 ? 51.986 33.706 -3.574 1.00 32.32 ? 293 ASP A OD1 1 ATOM 2756 O OD2 . ASP A 1 292 ? 51.421 35.357 -4.904 1.00 34.11 ? 293 ASP A OD2 1 ATOM 2757 H H . ASP A 1 292 ? 50.877 34.900 -0.996 1.00 19.26 ? 293 ASP A H 1 ATOM 2758 N N . GLY A 1 293 ? 55.062 36.230 -0.955 1.00 23.89 ? 294 GLY A N 1 ATOM 2759 C CA . GLY A 1 293 ? 56.006 37.194 -0.416 1.00 23.35 ? 294 GLY A CA 1 ATOM 2760 C C . GLY A 1 293 ? 56.419 37.106 1.039 1.00 25.67 ? 294 GLY A C 1 ATOM 2761 O O . GLY A 1 293 ? 57.345 37.808 1.460 1.00 26.12 ? 294 GLY A O 1 ATOM 2762 H H . GLY A 1 293 ? 55.350 35.424 -1.416 1.00 23.89 ? 294 GLY A H 1 ATOM 2763 N N . LEU A 1 294 ? 55.731 36.289 1.826 1.00 24.21 ? 295 LEU A N 1 ATOM 2764 C CA . LEU A 1 294 ? 56.084 36.161 3.232 1.00 22.32 ? 295 LEU A CA 1 ATOM 2765 C C . LEU A 1 294 ? 57.310 35.262 3.345 1.00 22.58 ? 295 LEU A C 1 ATOM 2766 O O . LEU A 1 294 ? 57.537 34.396 2.492 1.00 22.49 ? 295 LEU A O 1 ATOM 2767 C CB . LEU A 1 294 ? 54.896 35.611 4.021 1.00 20.55 ? 295 LEU A CB 1 ATOM 2768 C CG . LEU A 1 294 ? 53.714 36.589 4.003 1.00 19.97 ? 295 LEU A CG 1 ATOM 2769 C CD1 . LEU A 1 294 ? 52.485 35.977 4.606 1.00 17.15 ? 295 LEU A CD1 1 ATOM 2770 C CD2 . LEU A 1 294 ? 54.086 37.850 4.753 1.00 18.23 ? 295 LEU A CD2 1 ATOM 2771 H H . LEU A 1 294 ? 54.996 35.755 1.458 1.00 24.21 ? 295 LEU A H 1 ATOM 2772 N N . SER A 1 295 ? 58.143 35.516 4.342 1.00 19.86 ? 296 SER A N 1 ATOM 2773 C CA . SER A 1 295 ? 59.339 34.720 4.538 1.00 20.86 ? 296 SER A CA 1 ATOM 2774 C C . SER A 1 295 ? 59.023 33.618 5.539 1.00 20.42 ? 296 SER A C 1 ATOM 2775 O O . SER A 1 295 ? 57.964 33.628 6.168 1.00 19.50 ? 296 SER A O 1 ATOM 2776 C CB . SER A 1 295 ? 60.475 35.599 5.069 1.00 19.55 ? 296 SER A CB 1 ATOM 2777 O OG . SER A 1 295 ? 60.192 36.041 6.385 1.00 21.04 ? 296 SER A OG 1 ATOM 2778 H H . SER A 1 295 ? 57.964 36.172 5.016 1.00 19.86 ? 296 SER A H 1 ATOM 2779 H HG . SER A 1 295 ? 60.890 36.668 6.637 1.00 21.04 ? 296 SER A HG 1 ATOM 2780 N N . ASP A 1 296 ? 59.972 32.707 5.722 1.00 21.88 ? 297 ASP A N 1 ATOM 2781 C CA . ASP A 1 296 ? 59.828 31.586 6.639 1.00 23.26 ? 297 ASP A CA 1 ATOM 2782 C C . ASP A 1 296 ? 59.748 31.931 8.107 1.00 21.83 ? 297 ASP A C 1 ATOM 2783 O O . ASP A 1 296 ? 59.433 31.072 8.922 1.00 23.00 ? 297 ASP A O 1 ATOM 2784 C CB . ASP A 1 296 ? 60.957 30.586 6.447 1.00 29.55 ? 297 ASP A CB 1 ATOM 2785 C CG . ASP A 1 296 ? 60.662 29.584 5.364 1.00 35.86 ? 297 ASP A CG 1 ATOM 2786 O OD1 . ASP A 1 296 ? 59.542 29.021 5.342 1.00 38.10 ? 297 ASP A OD1 1 ATOM 2787 O OD2 . ASP A 1 296 ? 61.566 29.353 4.536 1.00 41.57 ? 297 ASP A OD2 1 ATOM 2788 H H . ASP A 1 296 ? 60.805 32.806 5.227 1.00 21.88 ? 297 ASP A H 1 ATOM 2789 N N . SER A 1 297 ? 60.082 33.158 8.468 1.00 18.50 ? 298 SER A N 1 ATOM 2790 C CA . SER A 1 297 ? 60.005 33.530 9.865 1.00 18.71 ? 298 SER A CA 1 ATOM 2791 C C . SER A 1 297 ? 58.722 34.303 10.105 1.00 17.54 ? 298 SER A C 1 ATOM 2792 O O . SER A 1 297 ? 58.548 34.914 11.156 1.00 18.67 ? 298 SER A O 1 ATOM 2793 C CB . SER A 1 297 ? 61.209 34.374 10.252 1.00 18.54 ? 298 SER A CB 1 ATOM 2794 O OG . SER A 1 297 ? 61.314 35.484 9.385 1.00 23.08 ? 298 SER A OG 1 ATOM 2795 H H . SER A 1 297 ? 60.397 33.825 7.820 1.00 18.50 ? 298 SER A H 1 ATOM 2796 H HG . SER A 1 297 ? 60.497 35.999 9.385 1.00 23.08 ? 298 SER A HG 1 ATOM 2797 N N . GLU A 1 298 ? 57.853 34.336 9.101 1.00 14.57 ? 299 GLU A N 1 ATOM 2798 C CA . GLU A 1 298 ? 56.592 35.039 9.236 1.00 12.64 ? 299 GLU A CA 1 ATOM 2799 C C . GLU A 1 298 ? 55.409 34.094 9.208 1.00 10.14 ? 299 GLU A C 1 ATOM 2800 O O . GLU A 1 298 ? 55.444 33.047 8.546 1.00 9.28 ? 299 GLU A O 1 ATOM 2801 C CB . GLU A 1 298 ? 56.441 36.060 8.122 1.00 14.10 ? 299 GLU A CB 1 ATOM 2802 C CG . GLU A 1 298 ? 57.513 37.097 8.151 1.00 17.12 ? 299 GLU A CG 1 ATOM 2803 C CD . GLU A 1 298 ? 57.359 38.089 7.031 1.00 21.08 ? 299 GLU A CD 1 ATOM 2804 O OE1 . GLU A 1 298 ? 57.715 37.756 5.884 1.00 22.11 ? 299 GLU A OE1 1 ATOM 2805 O OE2 . GLU A 1 298 ? 56.854 39.202 7.291 1.00 26.28 ? 299 GLU A OE2 1 ATOM 2806 H H . GLU A 1 298 ? 58.031 33.895 8.241 1.00 14.57 ? 299 GLU A H 1 ATOM 2807 N N . ALA A 1 299 ? 54.377 34.462 9.954 1.00 9.02 ? 300 ALA A N 1 ATOM 2808 C CA . ALA A 1 299 ? 53.149 33.687 10.028 1.00 8.83 ? 300 ALA A CA 1 ATOM 2809 C C . ALA A 1 299 ? 52.418 33.787 8.692 1.00 9.76 ? 300 ALA A C 1 ATOM 2810 O O . ALA A 1 299 ? 52.562 34.781 7.977 1.00 8.60 ? 300 ALA A O 1 ATOM 2811 C CB . ALA A 1 299 ? 52.287 34.206 11.147 1.00 7.45 ? 300 ALA A CB 1 ATOM 2812 H H . ALA A 1 299 ? 54.438 35.301 10.457 1.00 9.02 ? 300 ALA A H 1 ATOM 2813 N N . VAL A 1 300 ? 51.657 32.743 8.352 1.00 8.70 ? 301 VAL A N 1 ATOM 2814 C CA . VAL A 1 300 ? 50.912 32.666 7.095 1.00 8.66 ? 301 VAL A CA 1 ATOM 2815 C C . VAL A 1 300 ? 49.489 32.162 7.359 1.00 9.01 ? 301 VAL A C 1 ATOM 2816 O O . VAL A 1 300 ? 49.189 31.704 8.461 1.00 8.89 ? 301 VAL A O 1 ATOM 2817 C CB . VAL A 1 300 ? 51.585 31.677 6.083 1.00 9.28 ? 301 VAL A CB 1 ATOM 2818 C CG1 . VAL A 1 300 ? 52.938 32.210 5.613 1.00 8.14 ? 301 VAL A CG1 1 ATOM 2819 C CG2 . VAL A 1 300 ? 51.748 30.295 6.707 1.00 9.39 ? 301 VAL A CG2 1 ATOM 2820 H H . VAL A 1 300 ? 51.553 31.988 8.971 1.00 8.70 ? 301 VAL A H 1 ATOM 2821 N N . ALA A 1 301 ? 48.618 32.265 6.358 1.00 6.44 ? 302 ALA A N 1 ATOM 2822 C CA . ALA A 1 301 ? 47.243 31.792 6.491 1.00 7.83 ? 302 ALA A CA 1 ATOM 2823 C C . ALA A 1 301 ? 47.323 30.283 6.400 1.00 8.55 ? 302 ALA A C 1 ATOM 2824 O O . ALA A 1 301 ? 47.976 29.750 5.503 1.00 8.45 ? 302 ALA A O 1 ATOM 2825 C CB . ALA A 1 301 ? 46.362 32.352 5.387 1.00 9.61 ? 302 ALA A CB 1 ATOM 2826 H H . ALA A 1 301 ? 48.915 32.634 5.503 1.00 6.44 ? 302 ALA A H 1 ATOM 2827 N N . VAL A 1 302 ? 46.686 29.606 7.352 1.00 8.06 ? 303 VAL A N 1 ATOM 2828 C CA . VAL A 1 302 ? 46.714 28.148 7.433 1.00 6.87 ? 303 VAL A CA 1 ATOM 2829 C C . VAL A 1 302 ? 45.348 27.486 7.160 1.00 7.06 ? 303 VAL A C 1 ATOM 2830 O O . VAL A 1 302 ? 44.314 27.934 7.682 1.00 5.78 ? 303 VAL A O 1 ATOM 2831 C CB . VAL A 1 302 ? 47.241 27.727 8.842 1.00 8.43 ? 303 VAL A CB 1 ATOM 2832 C CG1 . VAL A 1 302 ? 47.292 26.215 8.983 1.00 5.85 ? 303 VAL A CG1 1 ATOM 2833 C CG2 . VAL A 1 302 ? 48.650 28.319 9.070 1.00 6.41 ? 303 VAL A CG2 1 ATOM 2834 H H . VAL A 1 302 ? 46.175 30.097 8.039 1.00 8.06 ? 303 VAL A H 1 ATOM 2835 N N . GLY A 1 303 ? 45.359 26.437 6.327 1.00 5.08 ? 304 GLY A N 1 ATOM 2836 C CA . GLY A 1 303 ? 44.150 25.696 6.003 1.00 5.42 ? 304 GLY A CA 1 ATOM 2837 C C . GLY A 1 303 ? 44.104 24.363 6.729 1.00 6.64 ? 304 GLY A C 1 ATOM 2838 O O . GLY A 1 303 ? 44.721 24.211 7.788 1.00 6.19 ? 304 GLY A O 1 ATOM 2839 H H . GLY A 1 303 ? 46.202 26.140 5.931 1.00 5.08 ? 304 GLY A H 1 ATOM 2840 N N . ARG A 1 304 ? 43.387 23.387 6.172 1.00 5.96 ? 305 ARG A N 1 ATOM 2841 C CA . ARG A 1 304 ? 43.284 22.074 6.802 1.00 5.08 ? 305 ARG A CA 1 ATOM 2842 C C . ARG A 1 304 ? 44.450 21.181 6.392 1.00 6.39 ? 305 ARG A C 1 ATOM 2843 O O . ARG A 1 304 ? 45.222 20.750 7.237 1.00 8.25 ? 305 ARG A O 1 ATOM 2844 C CB . ARG A 1 304 ? 41.941 21.424 6.459 1.00 5.69 ? 305 ARG A CB 1 ATOM 2845 C CG . ARG A 1 304 ? 40.743 22.260 6.909 1.00 4.10 ? 305 ARG A CG 1 ATOM 2846 C CD . ARG A 1 304 ? 39.435 21.502 6.801 1.00 3.72 ? 305 ARG A CD 1 ATOM 2847 N NE . ARG A 1 304 ? 39.120 21.134 5.424 1.00 4.80 ? 305 ARG A NE 1 ATOM 2848 C CZ . ARG A 1 304 ? 38.057 20.420 5.066 1.00 6.58 ? 305 ARG A CZ 1 ATOM 2849 N NH1 . ARG A 1 304 ? 37.184 20.004 5.987 1.00 3.00 ? 305 ARG A NH1 1 ATOM 2850 N NH2 . ARG A 1 304 ? 37.905 20.069 3.794 1.00 3.00 ? 305 ARG A NH2 1 ATOM 2851 H H . ARG A 1 304 ? 42.940 23.556 5.317 1.00 5.96 ? 305 ARG A H 1 ATOM 2852 H HE . ARG A 1 304 ? 39.739 21.449 4.738 1.00 4.80 ? 305 ARG A HE 1 ATOM 2853 H HH11 . ARG A 1 304 ? 37.291 20.229 6.960 1.00 3.00 ? 305 ARG A HH11 1 ATOM 2854 H HH12 . ARG A 1 304 ? 36.384 19.475 5.714 1.00 3.00 ? 305 ARG A HH12 1 ATOM 2855 H HH21 . ARG A 1 304 ? 38.598 20.331 3.121 1.00 3.00 ? 305 ARG A HH21 1 ATOM 2856 H HH22 . ARG A 1 304 ? 37.132 19.497 3.497 1.00 3.00 ? 305 ARG A HH22 1 ATOM 2857 N N . TYR A 1 305 ? 44.583 20.908 5.097 1.00 5.46 ? 306 TYR A N 1 ATOM 2858 C CA . TYR A 1 305 ? 45.674 20.077 4.573 1.00 5.77 ? 306 TYR A CA 1 ATOM 2859 C C . TYR A 1 305 ? 45.919 20.611 3.167 1.00 7.77 ? 306 TYR A C 1 ATOM 2860 O O . TYR A 1 305 ? 44.994 21.089 2.509 1.00 8.46 ? 306 TYR A O 1 ATOM 2861 C CB . TYR A 1 305 ? 45.314 18.573 4.587 1.00 3.00 ? 306 TYR A CB 1 ATOM 2862 C CG . TYR A 1 305 ? 43.950 18.251 4.028 1.00 4.38 ? 306 TYR A CG 1 ATOM 2863 C CD1 . TYR A 1 305 ? 42.795 18.382 4.811 1.00 3.00 ? 306 TYR A CD1 1 ATOM 2864 C CD2 . TYR A 1 305 ? 43.806 17.840 2.710 1.00 5.16 ? 306 TYR A CD2 1 ATOM 2865 C CE1 . TYR A 1 305 ? 41.539 18.115 4.289 1.00 4.65 ? 306 TYR A CE1 1 ATOM 2866 C CE2 . TYR A 1 305 ? 42.554 17.565 2.177 1.00 4.53 ? 306 TYR A CE2 1 ATOM 2867 C CZ . TYR A 1 305 ? 41.428 17.707 2.966 1.00 4.90 ? 306 TYR A CZ 1 ATOM 2868 O OH . TYR A 1 305 ? 40.206 17.438 2.424 1.00 4.14 ? 306 TYR A OH 1 ATOM 2869 H H . TYR A 1 305 ? 43.949 21.288 4.456 1.00 5.46 ? 306 TYR A H 1 ATOM 2870 H HH . TYR A 1 305 ? 39.526 17.530 3.108 1.00 4.14 ? 306 TYR A HH 1 ATOM 2871 N N . PRO A 1 306 ? 47.166 20.552 2.689 1.00 7.93 ? 307 PRO A N 1 ATOM 2872 C CA . PRO A 1 306 ? 47.467 21.068 1.357 1.00 6.86 ? 307 PRO A CA 1 ATOM 2873 C C . PRO A 1 306 ? 46.700 20.491 0.162 1.00 7.41 ? 307 PRO A C 1 ATOM 2874 O O . PRO A 1 306 ? 46.558 21.172 -0.856 1.00 6.41 ? 307 PRO A O 1 ATOM 2875 C CB . PRO A 1 306 ? 48.984 20.880 1.261 1.00 6.64 ? 307 PRO A CB 1 ATOM 2876 C CG . PRO A 1 306 ? 49.239 19.701 2.115 1.00 7.78 ? 307 PRO A CG 1 ATOM 2877 C CD . PRO A 1 306 ? 48.369 19.974 3.310 1.00 8.27 ? 307 PRO A CD 1 ATOM 2878 N N . GLU A 1 307 ? 46.187 19.271 0.281 1.00 6.52 ? 308 GLU A N 1 ATOM 2879 C CA . GLU A 1 307 ? 45.435 18.642 -0.805 1.00 6.78 ? 308 GLU A CA 1 ATOM 2880 C C . GLU A 1 307 ? 43.953 19.012 -0.816 1.00 8.19 ? 308 GLU A C 1 ATOM 2881 O O . GLU A 1 307 ? 43.217 18.597 -1.701 1.00 8.81 ? 308 GLU A O 1 ATOM 2882 C CB . GLU A 1 307 ? 45.542 17.110 -0.723 1.00 7.21 ? 308 GLU A CB 1 ATOM 2883 C CG . GLU A 1 307 ? 46.971 16.569 -0.703 1.00 7.39 ? 308 GLU A CG 1 ATOM 2884 C CD . GLU A 1 307 ? 47.572 16.514 0.695 1.00 7.15 ? 308 GLU A CD 1 ATOM 2885 O OE1 . GLU A 1 307 ? 46.918 16.892 1.684 1.00 7.27 ? 308 GLU A OE1 1 ATOM 2886 O OE2 . GLU A 1 307 ? 48.722 16.077 0.812 1.00 7.77 ? 308 GLU A OE2 1 ATOM 2887 H H . GLU A 1 307 ? 46.325 18.762 1.103 1.00 6.52 ? 308 GLU A H 1 ATOM 2888 N N . ASP A 1 308 ? 43.515 19.774 0.175 1.00 7.48 ? 309 ASP A N 1 ATOM 2889 C CA . ASP A 1 308 ? 42.112 20.179 0.326 1.00 6.47 ? 309 ASP A CA 1 ATOM 2890 C C . ASP A 1 308 ? 41.512 20.883 -0.908 1.00 7.75 ? 309 ASP A C 1 ATOM 2891 O O . ASP A 1 308 ? 42.133 21.766 -1.493 1.00 6.56 ? 309 ASP A O 1 ATOM 2892 C CB . ASP A 1 308 ? 42.016 21.096 1.565 1.00 3.49 ? 309 ASP A CB 1 ATOM 2893 C CG . ASP A 1 308 ? 40.596 21.317 2.065 1.00 5.13 ? 309 ASP A CG 1 ATOM 2894 O OD1 . ASP A 1 308 ? 39.635 20.744 1.538 1.00 6.65 ? 309 ASP A OD1 1 ATOM 2895 O OD2 . ASP A 1 308 ? 40.433 22.079 3.028 1.00 4.17 ? 309 ASP A OD2 1 ATOM 2896 H H . ASP A 1 308 ? 44.154 20.111 0.832 1.00 7.48 ? 309 ASP A H 1 ATOM 2897 N N . SER A 1 309 ? 40.285 20.503 -1.268 1.00 8.66 ? 310 SER A N 1 ATOM 2898 C CA . SER A 1 309 ? 39.572 21.113 -2.392 1.00 10.07 ? 310 SER A CA 1 ATOM 2899 C C . SER A 1 309 ? 38.161 21.575 -2.000 1.00 9.35 ? 310 SER A C 1 ATOM 2900 O O . SER A 1 309 ? 37.415 22.093 -2.837 1.00 10.27 ? 310 SER A O 1 ATOM 2901 C CB . SER A 1 309 ? 39.511 20.151 -3.588 1.00 11.67 ? 310 SER A CB 1 ATOM 2902 O OG . SER A 1 309 ? 38.949 18.901 -3.223 1.00 15.41 ? 310 SER A OG 1 ATOM 2903 H H . SER A 1 309 ? 39.847 19.767 -0.777 1.00 8.66 ? 310 SER A H 1 ATOM 2904 H HG . SER A 1 309 ? 38.059 18.901 -3.619 1.00 15.41 ? 310 SER A HG 1 ATOM 2905 N N . TYR A 1 310 ? 37.827 21.441 -0.718 1.00 7.66 ? 311 TYR A N 1 ATOM 2906 C CA . TYR A 1 310 ? 36.521 21.846 -0.211 1.00 7.41 ? 311 TYR A CA 1 ATOM 2907 C C . TYR A 1 310 ? 36.459 23.362 -0.389 1.00 9.04 ? 311 TYR A C 1 ATOM 2908 O O . TYR A 1 310 ? 37.288 24.100 0.157 1.00 8.03 ? 311 TYR A O 1 ATOM 2909 C CB . TYR A 1 310 ? 36.379 21.426 1.249 1.00 6.93 ? 311 TYR A CB 1 ATOM 2910 C CG . TYR A 1 310 ? 35.040 21.731 1.861 1.00 5.70 ? 311 TYR A CG 1 ATOM 2911 C CD1 . TYR A 1 310 ? 33.855 21.391 1.208 1.00 4.82 ? 311 TYR A CD1 1 ATOM 2912 C CD2 . TYR A 1 310 ? 34.956 22.352 3.105 1.00 4.44 ? 311 TYR A CD2 1 ATOM 2913 C CE1 . TYR A 1 310 ? 32.608 21.665 1.786 1.00 6.06 ? 311 TYR A CE1 1 ATOM 2914 C CE2 . TYR A 1 310 ? 33.720 22.632 3.694 1.00 4.17 ? 311 TYR A CE2 1 ATOM 2915 C CZ . TYR A 1 310 ? 32.555 22.283 3.029 1.00 5.01 ? 311 TYR A CZ 1 ATOM 2916 O OH . TYR A 1 310 ? 31.346 22.549 3.609 1.00 5.05 ? 311 TYR A OH 1 ATOM 2917 H H . TYR A 1 310 ? 38.470 21.049 -0.097 1.00 7.66 ? 311 TYR A H 1 ATOM 2918 H HH . TYR A 1 310 ? 31.491 22.925 4.497 1.00 5.05 ? 311 TYR A HH 1 ATOM 2919 N N . TYR A 1 311 ? 35.517 23.797 -1.224 1.00 9.43 ? 312 TYR A N 1 ATOM 2920 C CA . TYR A 1 311 ? 35.338 25.203 -1.610 1.00 12.33 ? 312 TYR A CA 1 ATOM 2921 C C . TYR A 1 311 ? 36.628 25.695 -2.265 1.00 13.79 ? 312 TYR A C 1 ATOM 2922 O O . TYR A 1 311 ? 36.939 26.893 -2.240 1.00 13.30 ? 312 TYR A O 1 ATOM 2923 C CB . TYR A 1 311 ? 34.925 26.108 -0.441 1.00 12.07 ? 312 TYR A CB 1 ATOM 2924 C CG . TYR A 1 311 ? 33.469 25.994 -0.113 1.00 14.55 ? 312 TYR A CG 1 ATOM 2925 C CD1 . TYR A 1 311 ? 32.508 26.586 -0.926 1.00 16.73 ? 312 TYR A CD1 1 ATOM 2926 C CD2 . TYR A 1 311 ? 33.041 25.253 0.979 1.00 15.58 ? 312 TYR A CD2 1 ATOM 2927 C CE1 . TYR A 1 311 ? 31.152 26.442 -0.659 1.00 17.88 ? 312 TYR A CE1 1 ATOM 2928 C CE2 . TYR A 1 311 ? 31.691 25.096 1.256 1.00 16.47 ? 312 TYR A CE2 1 ATOM 2929 C CZ . TYR A 1 311 ? 30.751 25.689 0.434 1.00 19.69 ? 312 TYR A CZ 1 ATOM 2930 O OH . TYR A 1 311 ? 29.411 25.501 0.686 1.00 20.51 ? 312 TYR A OH 1 ATOM 2931 H H . TYR A 1 311 ? 34.926 23.129 -1.597 1.00 9.43 ? 312 TYR A H 1 ATOM 2932 H HH . TYR A 1 311 ? 29.338 24.958 1.477 1.00 20.51 ? 312 TYR A HH 1 ATOM 2933 N N . ASN A 1 312 ? 37.321 24.745 -2.903 1.00 15.18 ? 313 ASN A N 1 ATOM 2934 C CA . ASN A 1 312 ? 38.590 24.937 -3.605 1.00 17.64 ? 313 ASN A CA 1 ATOM 2935 C C . ASN A 1 312 ? 39.842 24.886 -2.733 1.00 16.62 ? 313 ASN A C 1 ATOM 2936 O O . ASN A 1 312 ? 40.960 24.960 -3.251 1.00 16.23 ? 313 ASN A O 1 ATOM 2937 C CB . ASN A 1 312 ? 38.574 26.198 -4.479 1.00 22.07 ? 313 ASN A CB 1 ATOM 2938 C CG . ASN A 1 312 ? 37.597 26.082 -5.652 1.00 29.39 ? 313 ASN A CG 1 ATOM 2939 O OD1 . ASN A 1 312 ? 37.648 25.124 -6.441 1.00 34.19 ? 313 ASN A OD1 1 ATOM 2940 N ND2 . ASN A 1 312 ? 36.685 27.043 -5.756 1.00 31.90 ? 313 ASN A ND2 1 ATOM 2941 H H . ASN A 1 312 ? 36.919 23.855 -2.934 1.00 15.18 ? 313 ASN A H 1 ATOM 2942 H HD21 . ASN A 1 312 ? 36.062 27.019 -6.519 1.00 31.90 ? 313 ASN A HD21 1 ATOM 2943 H HD22 . ASN A 1 312 ? 36.678 27.750 -5.077 1.00 31.90 ? 313 ASN A HD22 1 ATOM 2944 N N . GLY A 1 313 ? 39.660 24.670 -1.431 1.00 14.78 ? 314 GLY A N 1 ATOM 2945 C CA . GLY A 1 313 ? 40.793 24.590 -0.515 1.00 13.30 ? 314 GLY A CA 1 ATOM 2946 C C . GLY A 1 313 ? 41.272 25.977 -0.135 1.00 12.48 ? 314 GLY A C 1 ATOM 2947 O O . GLY A 1 313 ? 41.989 26.621 -0.894 1.00 13.58 ? 314 GLY A O 1 ATOM 2948 H H . GLY A 1 313 ? 38.753 24.582 -1.074 1.00 14.78 ? 314 GLY A H 1 ATOM 2949 N N . ASN A 1 314 ? 40.885 26.427 1.050 1.00 10.48 ? 315 ASN A N 1 ATOM 2950 C CA . ASN A 1 314 ? 41.227 27.757 1.531 1.00 8.15 ? 315 ASN A CA 1 ATOM 2951 C C . ASN A 1 314 ? 41.658 27.699 2.967 1.00 8.66 ? 315 ASN A C 1 ATOM 2952 O O . ASN A 1 314 ? 41.547 26.658 3.617 1.00 8.40 ? 315 ASN A O 1 ATOM 2953 C CB . ASN A 1 314 ? 39.983 28.637 1.542 1.00 8.45 ? 315 ASN A CB 1 ATOM 2954 C CG . ASN A 1 314 ? 39.375 28.801 0.188 1.00 9.59 ? 315 ASN A CG 1 ATOM 2955 O OD1 . ASN A 1 314 ? 39.849 29.601 -0.609 1.00 9.18 ? 315 ASN A OD1 1 ATOM 2956 N ND2 . ASN A 1 314 ? 38.318 28.052 -0.085 1.00 6.64 ? 315 ASN A ND2 1 ATOM 2957 H H . ASN A 1 314 ? 40.369 25.857 1.658 1.00 10.48 ? 315 ASN A H 1 ATOM 2958 H HD21 . ASN A 1 314 ? 37.920 28.101 -0.978 1.00 6.64 ? 315 ASN A HD21 1 ATOM 2959 H HD22 . ASN A 1 314 ? 37.976 27.470 0.634 1.00 6.64 ? 315 ASN A HD22 1 ATOM 2960 N N . PRO A 1 315 ? 42.224 28.805 3.464 1.00 8.18 ? 316 PRO A N 1 ATOM 2961 C CA . PRO A 1 315 ? 42.634 28.811 4.864 1.00 8.09 ? 316 PRO A CA 1 ATOM 2962 C C . PRO A 1 315 ? 41.356 28.861 5.720 1.00 7.75 ? 316 PRO A C 1 ATOM 2963 O O . PRO A 1 315 ? 40.294 29.305 5.257 1.00 6.12 ? 316 PRO A O 1 ATOM 2964 C CB . PRO A 1 315 ? 43.463 30.090 4.983 1.00 6.88 ? 316 PRO A CB 1 ATOM 2965 C CG . PRO A 1 315 ? 43.095 30.913 3.788 1.00 8.13 ? 316 PRO A CG 1 ATOM 2966 C CD . PRO A 1 315 ? 42.863 29.904 2.718 1.00 7.64 ? 316 PRO A CD 1 ATOM 2967 N N . TRP A 1 316 ? 41.452 28.344 6.938 1.00 6.90 ? 317 TRP A N 1 ATOM 2968 C CA . TRP A 1 316 ? 40.328 28.316 7.869 1.00 5.94 ? 317 TRP A CA 1 ATOM 2969 C C . TRP A 1 316 ? 40.732 29.147 9.069 1.00 6.24 ? 317 TRP A C 1 ATOM 2970 O O . TRP A 1 316 ? 41.894 29.116 9.480 1.00 6.31 ? 317 TRP A O 1 ATOM 2971 C CB . TRP A 1 316 ? 40.048 26.882 8.340 1.00 5.85 ? 317 TRP A CB 1 ATOM 2972 C CG . TRP A 1 316 ? 39.301 26.005 7.354 1.00 6.28 ? 317 TRP A CG 1 ATOM 2973 C CD1 . TRP A 1 316 ? 39.501 25.921 5.997 1.00 6.22 ? 317 TRP A CD1 1 ATOM 2974 C CD2 . TRP A 1 316 ? 38.228 25.095 7.655 1.00 7.32 ? 317 TRP A CD2 1 ATOM 2975 N NE1 . TRP A 1 316 ? 38.619 25.021 5.442 1.00 6.10 ? 317 TRP A NE1 1 ATOM 2976 C CE2 . TRP A 1 316 ? 37.825 24.501 6.429 1.00 6.89 ? 317 TRP A CE2 1 ATOM 2977 C CE3 . TRP A 1 316 ? 37.570 24.722 8.839 1.00 6.44 ? 317 TRP A CE3 1 ATOM 2978 C CZ2 . TRP A 1 316 ? 36.789 23.555 6.353 1.00 4.51 ? 317 TRP A CZ2 1 ATOM 2979 C CZ3 . TRP A 1 316 ? 36.546 23.778 8.765 1.00 6.10 ? 317 TRP A CZ3 1 ATOM 2980 C CH2 . TRP A 1 316 ? 36.168 23.205 7.524 1.00 6.09 ? 317 TRP A CH2 1 ATOM 2981 H H . TRP A 1 316 ? 42.321 27.999 7.239 1.00 6.90 ? 317 TRP A H 1 ATOM 2982 H HE1 . TRP A 1 316 ? 38.602 24.813 4.478 1.00 6.10 ? 317 TRP A HE1 1 ATOM 2983 N N . PHE A 1 317 ? 39.778 29.870 9.646 1.00 4.87 ? 318 PHE A N 1 ATOM 2984 C CA . PHE A 1 317 ? 40.063 30.686 10.810 1.00 5.09 ? 318 PHE A CA 1 ATOM 2985 C C . PHE A 1 317 ? 40.529 29.818 11.975 1.00 6.63 ? 318 PHE A C 1 ATOM 2986 O O . PHE A 1 317 ? 41.557 30.106 12.588 1.00 5.97 ? 318 PHE A O 1 ATOM 2987 C CB . PHE A 1 317 ? 38.830 31.488 11.230 1.00 5.07 ? 318 PHE A CB 1 ATOM 2988 C CG . PHE A 1 317 ? 38.565 32.695 10.368 1.00 7.70 ? 318 PHE A CG 1 ATOM 2989 C CD1 . PHE A 1 317 ? 39.355 33.840 10.485 1.00 8.19 ? 318 PHE A CD1 1 ATOM 2990 C CD2 . PHE A 1 317 ? 37.532 32.689 9.429 1.00 6.32 ? 318 PHE A CD2 1 ATOM 2991 C CE1 . PHE A 1 317 ? 39.111 34.957 9.680 1.00 6.58 ? 318 PHE A CE1 1 ATOM 2992 C CE2 . PHE A 1 317 ? 37.289 33.802 8.624 1.00 4.77 ? 318 PHE A CE2 1 ATOM 2993 C CZ . PHE A 1 317 ? 38.082 34.934 8.754 1.00 4.27 ? 318 PHE A CZ 1 ATOM 2994 H H . PHE A 1 317 ? 38.861 29.833 9.288 1.00 4.87 ? 318 PHE A H 1 ATOM 2995 N N . LEU A 1 318 ? 39.801 28.737 12.259 1.00 5.28 ? 319 LEU A N 1 ATOM 2996 C CA . LEU A 1 318 ? 40.159 27.864 13.376 1.00 5.37 ? 319 LEU A CA 1 ATOM 2997 C C . LEU A 1 318 ? 41.515 27.184 13.213 1.00 4.72 ? 319 LEU A C 1 ATOM 2998 O O . LEU A 1 318 ? 42.183 26.909 14.201 1.00 6.73 ? 319 LEU A O 1 ATOM 2999 C CB . LEU A 1 318 ? 39.065 26.821 13.641 1.00 4.53 ? 319 LEU A CB 1 ATOM 3000 C CG . LEU A 1 318 ? 38.840 25.627 12.708 1.00 6.87 ? 319 LEU A CG 1 ATOM 3001 C CD1 . LEU A 1 318 ? 39.706 24.409 13.113 1.00 4.14 ? 319 LEU A CD1 1 ATOM 3002 C CD2 . LEU A 1 318 ? 37.356 25.275 12.767 1.00 5.33 ? 319 LEU A CD2 1 ATOM 3003 H H . LEU A 1 318 ? 38.990 28.546 11.733 1.00 5.28 ? 319 LEU A H 1 ATOM 3004 N N . CYS A 1 319 ? 41.912 26.900 11.975 1.00 3.00 ? 320 CYS A N 1 ATOM 3005 C CA . CYS A 1 319 ? 43.204 26.262 11.712 1.00 3.85 ? 320 CYS A CA 1 ATOM 3006 C C . CYS A 1 319 ? 44.341 27.275 11.909 1.00 5.84 ? 320 CYS A C 1 ATOM 3007 O O . CYS A 1 319 ? 45.394 26.951 12.470 1.00 4.64 ? 320 CYS A O 1 ATOM 3008 C CB . CYS A 1 319 ? 43.238 25.690 10.296 1.00 4.01 ? 320 CYS A CB 1 ATOM 3009 S SG . CYS A 1 319 ? 42.093 24.300 10.038 1.00 6.83 ? 320 CYS A SG 1 ATOM 3010 H H . CYS A 1 319 ? 41.321 27.121 11.231 1.00 3.00 ? 320 CYS A H 1 ATOM 3011 N N . THR A 1 320 ? 44.116 28.504 11.457 1.00 4.82 ? 321 THR A N 1 ATOM 3012 C CA . THR A 1 320 ? 45.114 29.549 11.608 1.00 5.33 ? 321 THR A CA 1 ATOM 3013 C C . THR A 1 320 ? 45.276 29.871 13.099 1.00 4.59 ? 321 THR A C 1 ATOM 3014 O O . THR A 1 320 ? 46.388 30.071 13.587 1.00 5.24 ? 321 THR A O 1 ATOM 3015 C CB . THR A 1 320 ? 44.714 30.779 10.776 1.00 6.74 ? 321 THR A CB 1 ATOM 3016 O OG1 . THR A 1 320 ? 44.636 30.401 9.386 1.00 8.22 ? 321 THR A OG1 1 ATOM 3017 C CG2 . THR A 1 320 ? 45.727 31.891 10.932 1.00 4.96 ? 321 THR A CG2 1 ATOM 3018 H H . THR A 1 320 ? 43.276 28.733 11.006 1.00 4.82 ? 321 THR A H 1 ATOM 3019 H HG1 . THR A 1 320 ? 43.936 29.751 9.253 1.00 8.22 ? 321 THR A HG1 1 ATOM 3020 N N . LEU A 1 321 ? 44.169 29.850 13.838 1.00 4.97 ? 322 LEU A N 1 ATOM 3021 C CA . LEU A 1 321 ? 44.215 30.099 15.276 1.00 5.87 ? 322 LEU A CA 1 ATOM 3022 C C . LEU A 1 321 ? 44.898 28.960 16.032 1.00 5.03 ? 322 LEU A C 1 ATOM 3023 O O . LEU A 1 321 ? 45.562 29.201 17.041 1.00 5.91 ? 322 LEU A O 1 ATOM 3024 C CB . LEU A 1 321 ? 42.808 30.343 15.839 1.00 3.37 ? 322 LEU A CB 1 ATOM 3025 C CG . LEU A 1 321 ? 42.140 31.663 15.452 1.00 5.70 ? 322 LEU A CG 1 ATOM 3026 C CD1 . LEU A 1 321 ? 40.649 31.614 15.741 1.00 3.85 ? 322 LEU A CD1 1 ATOM 3027 C CD2 . LEU A 1 321 ? 42.816 32.816 16.193 1.00 6.30 ? 322 LEU A CD2 1 ATOM 3028 H H . LEU A 1 321 ? 43.302 29.697 13.411 1.00 4.97 ? 322 LEU A H 1 ATOM 3029 N N . ALA A 1 322 ? 44.745 27.728 15.546 1.00 5.54 ? 323 ALA A N 1 ATOM 3030 C CA . ALA A 1 322 ? 45.359 26.562 16.197 1.00 5.17 ? 323 ALA A CA 1 ATOM 3031 C C . ALA A 1 322 ? 46.877 26.664 16.087 1.00 6.76 ? 323 ALA A C 1 ATOM 3032 O O . ALA A 1 322 ? 47.603 26.283 17.012 1.00 6.32 ? 323 ALA A O 1 ATOM 3033 C CB . ALA A 1 322 ? 44.874 25.270 15.552 1.00 6.71 ? 323 ALA A CB 1 ATOM 3034 H H . ALA A 1 322 ? 44.195 27.595 14.742 1.00 5.54 ? 323 ALA A H 1 ATOM 3035 N N . ALA A 1 323 ? 47.355 27.194 14.961 1.00 5.72 ? 324 ALA A N 1 ATOM 3036 C CA . ALA A 1 323 ? 48.789 27.366 14.754 1.00 7.00 ? 324 ALA A CA 1 ATOM 3037 C C . ALA A 1 323 ? 49.364 28.325 15.815 1.00 7.95 ? 324 ALA A C 1 ATOM 3038 O O . ALA A 1 323 ? 50.485 28.132 16.292 1.00 8.27 ? 324 ALA A O 1 ATOM 3039 C CB . ALA A 1 323 ? 49.062 27.882 13.350 1.00 4.92 ? 324 ALA A CB 1 ATOM 3040 H H . ALA A 1 323 ? 46.744 27.465 14.247 1.00 5.72 ? 324 ALA A H 1 ATOM 3041 N N . ALA A 1 324 ? 48.594 29.346 16.191 1.00 6.78 ? 325 ALA A N 1 ATOM 3042 C CA . ALA A 1 324 ? 49.037 30.286 17.212 1.00 4.63 ? 325 ALA A CA 1 ATOM 3043 C C . ALA A 1 324 ? 48.880 29.668 18.606 1.00 5.43 ? 325 ALA A C 1 ATOM 3044 O O . ALA A 1 324 ? 49.779 29.769 19.440 1.00 5.08 ? 325 ALA A O 1 ATOM 3045 C CB . ALA A 1 324 ? 48.249 31.575 17.125 1.00 3.39 ? 325 ALA A CB 1 ATOM 3046 H H . ALA A 1 324 ? 47.722 29.467 15.758 1.00 6.78 ? 325 ALA A H 1 ATOM 3047 N N . GLU A 1 325 ? 47.742 29.023 18.853 1.00 3.63 ? 326 GLU A N 1 ATOM 3048 C CA . GLU A 1 325 ? 47.492 28.409 20.151 1.00 4.35 ? 326 GLU A CA 1 ATOM 3049 C C . GLU A 1 325 ? 48.560 27.393 20.583 1.00 3.97 ? 326 GLU A C 1 ATOM 3050 O O . GLU A 1 325 ? 48.948 27.365 21.749 1.00 4.40 ? 326 GLU A O 1 ATOM 3051 C CB . GLU A 1 325 ? 46.101 27.779 20.214 1.00 3.00 ? 326 GLU A CB 1 ATOM 3052 C CG . GLU A 1 325 ? 45.771 27.271 21.612 1.00 3.00 ? 326 GLU A CG 1 ATOM 3053 C CD . GLU A 1 325 ? 44.295 27.007 21.827 1.00 4.05 ? 326 GLU A CD 1 ATOM 3054 O OE1 . GLU A 1 325 ? 43.460 27.555 21.084 1.00 4.95 ? 326 GLU A OE1 1 ATOM 3055 O OE2 . GLU A 1 325 ? 43.961 26.240 22.750 1.00 6.91 ? 326 GLU A OE2 1 ATOM 3056 H H . GLU A 1 325 ? 47.056 28.975 18.163 1.00 3.63 ? 326 GLU A H 1 ATOM 3057 N N . GLN A 1 326 ? 49.050 26.569 19.666 1.00 4.57 ? 327 GLN A N 1 ATOM 3058 C CA . GLN A 1 326 ? 50.078 25.616 20.052 1.00 5.11 ? 327 GLN A CA 1 ATOM 3059 C C . GLN A 1 326 ? 51.317 26.350 20.579 1.00 4.18 ? 327 GLN A C 1 ATOM 3060 O O . GLN A 1 326 ? 51.939 25.908 21.544 1.00 5.76 ? 327 GLN A O 1 ATOM 3061 C CB . GLN A 1 326 ? 50.485 24.698 18.895 1.00 5.08 ? 327 GLN A CB 1 ATOM 3062 C CG . GLN A 1 326 ? 51.360 23.532 19.396 1.00 7.51 ? 327 GLN A CG 1 ATOM 3063 C CD . GLN A 1 326 ? 52.030 22.746 18.286 1.00 10.04 ? 327 GLN A CD 1 ATOM 3064 O OE1 . GLN A 1 326 ? 51.464 22.555 17.221 1.00 10.58 ? 327 GLN A OE1 1 ATOM 3065 N NE2 . GLN A 1 326 ? 53.240 22.281 18.539 1.00 6.48 ? 327 GLN A NE2 1 ATOM 3066 H H . GLN A 1 326 ? 48.699 26.583 18.749 1.00 4.57 ? 327 GLN A H 1 ATOM 3067 H HE21 . GLN A 1 326 ? 53.695 21.762 17.846 1.00 6.48 ? 327 GLN A HE21 1 ATOM 3068 H HE22 . GLN A 1 326 ? 53.629 22.471 19.422 1.00 6.48 ? 327 GLN A HE22 1 ATOM 3069 N N . LEU A 1 327 ? 51.652 27.483 19.966 1.00 4.70 ? 328 LEU A N 1 ATOM 3070 C CA . LEU A 1 327 ? 52.822 28.267 20.385 1.00 5.68 ? 328 LEU A CA 1 ATOM 3071 C C . LEU A 1 327 ? 52.603 28.972 21.737 1.00 5.78 ? 328 LEU A C 1 ATOM 3072 O O . LEU A 1 327 ? 53.520 29.021 22.566 1.00 5.47 ? 328 LEU A O 1 ATOM 3073 C CB . LEU A 1 327 ? 53.232 29.246 19.280 1.00 5.48 ? 328 LEU A CB 1 ATOM 3074 C CG . LEU A 1 327 ? 53.518 28.553 17.936 1.00 8.76 ? 328 LEU A CG 1 ATOM 3075 C CD1 . LEU A 1 327 ? 53.799 29.580 16.881 1.00 8.90 ? 328 LEU A CD1 1 ATOM 3076 C CD2 . LEU A 1 327 ? 54.679 27.562 18.044 1.00 8.60 ? 328 LEU A CD2 1 ATOM 3077 H H . LEU A 1 327 ? 51.090 27.819 19.237 1.00 4.70 ? 328 LEU A H 1 ATOM 3078 N N . TYR A 1 328 ? 51.396 29.488 21.980 1.00 4.12 ? 329 TYR A N 1 ATOM 3079 C CA . TYR A 1 328 ? 51.101 30.127 23.263 1.00 6.56 ? 329 TYR A CA 1 ATOM 3080 C C . TYR A 1 328 ? 51.198 29.077 24.386 1.00 6.18 ? 329 TYR A C 1 ATOM 3081 O O . TYR A 1 328 ? 51.637 29.398 25.495 1.00 6.47 ? 329 TYR A O 1 ATOM 3082 C CB . TYR A 1 328 ? 49.710 30.769 23.268 1.00 3.70 ? 329 TYR A CB 1 ATOM 3083 C CG . TYR A 1 328 ? 49.544 31.940 22.326 1.00 7.50 ? 329 TYR A CG 1 ATOM 3084 C CD1 . TYR A 1 328 ? 50.541 32.913 22.192 1.00 5.19 ? 329 TYR A CD1 1 ATOM 3085 C CD2 . TYR A 1 328 ? 48.382 32.078 21.561 1.00 6.13 ? 329 TYR A CD2 1 ATOM 3086 C CE1 . TYR A 1 328 ? 50.385 33.983 21.319 1.00 7.68 ? 329 TYR A CE1 1 ATOM 3087 C CE2 . TYR A 1 328 ? 48.220 33.141 20.694 1.00 7.70 ? 329 TYR A CE2 1 ATOM 3088 C CZ . TYR A 1 328 ? 49.222 34.086 20.577 1.00 7.41 ? 329 TYR A CZ 1 ATOM 3089 O OH . TYR A 1 328 ? 49.037 35.128 19.712 1.00 9.82 ? 329 TYR A OH 1 ATOM 3090 H H . TYR A 1 328 ? 50.709 29.436 21.293 1.00 4.12 ? 329 TYR A H 1 ATOM 3091 H HH . TYR A 1 328 ? 49.882 35.525 19.502 1.00 9.82 ? 329 TYR A HH 1 ATOM 3092 N N . ASP A 1 329 ? 50.772 27.841 24.099 1.00 4.75 ? 330 ASP A N 1 ATOM 3093 C CA . ASP A 1 329 ? 50.846 26.734 25.063 1.00 4.37 ? 330 ASP A CA 1 ATOM 3094 C C . ASP A 1 329 ? 52.312 26.406 25.331 1.00 5.24 ? 330 ASP A C 1 ATOM 3095 O O . ASP A 1 329 ? 52.702 26.217 26.483 1.00 5.86 ? 330 ASP A O 1 ATOM 3096 C CB . ASP A 1 329 ? 50.182 25.456 24.516 1.00 4.58 ? 330 ASP A CB 1 ATOM 3097 C CG . ASP A 1 329 ? 48.666 25.528 24.487 1.00 3.98 ? 330 ASP A CG 1 ATOM 3098 O OD1 . ASP A 1 329 ? 48.076 26.450 25.070 1.00 7.55 ? 330 ASP A OD1 1 ATOM 3099 O OD2 . ASP A 1 329 ? 48.059 24.623 23.891 1.00 4.57 ? 330 ASP A OD2 1 ATOM 3100 H H . ASP A 1 329 ? 50.362 27.659 23.231 1.00 4.75 ? 330 ASP A H 1 ATOM 3101 N N . ALA A 1 330 ? 53.118 26.338 24.267 1.00 3.99 ? 331 ALA A N 1 ATOM 3102 C CA . ALA A 1 330 ? 54.549 26.026 24.394 1.00 5.04 ? 331 ALA A CA 1 ATOM 3103 C C . ALA A 1 330 ? 55.276 27.090 25.230 1.00 5.21 ? 331 ALA A C 1 ATOM 3104 O O . ALA A 1 330 ? 56.086 26.759 26.102 1.00 6.63 ? 331 ALA A O 1 ATOM 3105 C CB . ALA A 1 330 ? 55.203 25.876 23.000 1.00 4.57 ? 331 ALA A CB 1 ATOM 3106 H H . ALA A 1 330 ? 52.721 26.464 23.378 1.00 3.99 ? 331 ALA A H 1 ATOM 3107 N N . LEU A 1 331 ? 54.939 28.358 25.004 1.00 5.12 ? 332 LEU A N 1 ATOM 3108 C CA . LEU A 1 331 ? 55.536 29.458 25.755 1.00 6.92 ? 332 LEU A CA 1 ATOM 3109 C C . LEU A 1 331 ? 55.225 29.282 27.231 1.00 7.30 ? 332 LEU A C 1 ATOM 3110 O O . LEU A 1 331 ? 56.087 29.488 28.091 1.00 9.02 ? 332 LEU A O 1 ATOM 3111 C CB . LEU A 1 331 ? 54.975 30.798 25.284 1.00 6.10 ? 332 LEU A CB 1 ATOM 3112 C CG . LEU A 1 331 ? 55.511 31.250 23.931 1.00 7.82 ? 332 LEU A CG 1 ATOM 3113 C CD1 . LEU A 1 331 ? 54.697 32.406 23.403 1.00 5.31 ? 332 LEU A CD1 1 ATOM 3114 C CD2 . LEU A 1 331 ? 56.979 31.632 24.082 1.00 9.38 ? 332 LEU A CD2 1 ATOM 3115 H H . LEU A 1 331 ? 54.284 28.549 24.302 1.00 5.12 ? 332 LEU A H 1 ATOM 3116 N N . TYR A 1 332 ? 53.977 28.919 27.515 1.00 6.06 ? 333 TYR A N 1 ATOM 3117 C CA . TYR A 1 332 ? 53.527 28.700 28.876 1.00 4.42 ? 333 TYR A CA 1 ATOM 3118 C C . TYR A 1 332 ? 54.328 27.576 29.533 1.00 4.55 ? 333 TYR A C 1 ATOM 3119 O O . TYR A 1 332 ? 54.800 27.714 30.665 1.00 6.46 ? 333 TYR A O 1 ATOM 3120 C CB . TYR A 1 332 ? 52.039 28.342 28.890 1.00 5.77 ? 333 TYR A CB 1 ATOM 3121 C CG . TYR A 1 332 ? 51.538 28.054 30.272 1.00 5.62 ? 333 TYR A CG 1 ATOM 3122 C CD1 . TYR A 1 332 ? 51.592 26.763 30.793 1.00 7.01 ? 333 TYR A CD1 1 ATOM 3123 C CD2 . TYR A 1 332 ? 51.031 29.076 31.075 1.00 7.34 ? 333 TYR A CD2 1 ATOM 3124 C CE1 . TYR A 1 332 ? 51.159 26.495 32.078 1.00 10.08 ? 333 TYR A CE1 1 ATOM 3125 C CE2 . TYR A 1 332 ? 50.591 28.818 32.372 1.00 7.62 ? 333 TYR A CE2 1 ATOM 3126 C CZ . TYR A 1 332 ? 50.656 27.520 32.861 1.00 10.87 ? 333 TYR A CZ 1 ATOM 3127 O OH . TYR A 1 332 ? 50.184 27.223 34.116 1.00 13.47 ? 333 TYR A OH 1 ATOM 3128 H H . TYR A 1 332 ? 53.335 28.792 26.780 1.00 6.06 ? 333 TYR A H 1 ATOM 3129 H HH . TYR A 1 332 ? 49.777 28.006 34.504 1.00 13.47 ? 333 TYR A HH 1 ATOM 3130 N N . GLN A 1 333 ? 54.497 26.470 28.815 1.00 5.63 ? 334 GLN A N 1 ATOM 3131 C CA . GLN A 1 333 ? 55.235 25.327 29.339 1.00 6.49 ? 334 GLN A CA 1 ATOM 3132 C C . GLN A 1 333 ? 56.708 25.652 29.600 1.00 7.40 ? 334 GLN A C 1 ATOM 3133 O O . GLN A 1 333 ? 57.251 25.265 30.636 1.00 5.81 ? 334 GLN A O 1 ATOM 3134 C CB . GLN A 1 333 ? 55.116 24.130 28.393 1.00 8.91 ? 334 GLN A CB 1 ATOM 3135 C CG . GLN A 1 333 ? 53.732 23.493 28.369 1.00 7.55 ? 334 GLN A CG 1 ATOM 3136 C CD . GLN A 1 333 ? 53.672 22.270 27.469 1.00 7.49 ? 334 GLN A CD 1 ATOM 3137 O OE1 . GLN A 1 333 ? 53.666 22.385 26.237 1.00 4.91 ? 334 GLN A OE1 1 ATOM 3138 N NE2 . GLN A 1 333 ? 53.629 21.095 28.075 1.00 6.06 ? 334 GLN A NE2 1 ATOM 3139 H H . GLN A 1 333 ? 54.097 26.413 27.917 1.00 5.63 ? 334 GLN A H 1 ATOM 3140 H HE21 . GLN A 1 333 ? 53.565 20.277 27.545 1.00 6.06 ? 334 GLN A HE21 1 ATOM 3141 H HE22 . GLN A 1 333 ? 53.651 21.093 29.052 1.00 6.06 ? 334 GLN A HE22 1 ATOM 3142 N N . TRP A 1 334 ? 57.348 26.358 28.666 1.00 5.56 ? 335 TRP A N 1 ATOM 3143 C CA . TRP A 1 334 ? 58.755 26.732 28.816 1.00 6.74 ? 335 TRP A CA 1 ATOM 3144 C C . TRP A 1 334 ? 58.922 27.635 30.028 1.00 7.75 ? 335 TRP A C 1 ATOM 3145 O O . TRP A 1 334 ? 59.824 27.458 30.835 1.00 8.59 ? 335 TRP A O 1 ATOM 3146 C CB . TRP A 1 334 ? 59.238 27.468 27.581 1.00 4.43 ? 335 TRP A CB 1 ATOM 3147 C CG . TRP A 1 334 ? 59.389 26.602 26.389 1.00 5.75 ? 335 TRP A CG 1 ATOM 3148 C CD1 . TRP A 1 334 ? 59.682 25.266 26.375 1.00 4.80 ? 335 TRP A CD1 1 ATOM 3149 C CD2 . TRP A 1 334 ? 59.265 27.004 25.018 1.00 4.89 ? 335 TRP A CD2 1 ATOM 3150 N NE1 . TRP A 1 334 ? 59.753 24.814 25.072 1.00 3.92 ? 335 TRP A NE1 1 ATOM 3151 C CE2 . TRP A 1 334 ? 59.494 25.855 24.222 1.00 6.22 ? 335 TRP A CE2 1 ATOM 3152 C CE3 . TRP A 1 334 ? 58.983 28.222 24.385 1.00 5.01 ? 335 TRP A CE3 1 ATOM 3153 C CZ2 . TRP A 1 334 ? 59.442 25.886 22.824 1.00 4.73 ? 335 TRP A CZ2 1 ATOM 3154 C CZ3 . TRP A 1 334 ? 58.936 28.254 22.999 1.00 7.97 ? 335 TRP A CZ3 1 ATOM 3155 C CH2 . TRP A 1 334 ? 59.163 27.086 22.233 1.00 6.94 ? 335 TRP A CH2 1 ATOM 3156 H H . TRP A 1 334 ? 56.871 26.624 27.859 1.00 5.56 ? 335 TRP A H 1 ATOM 3157 H HE1 . TRP A 1 334 ? 59.986 23.895 24.793 1.00 3.92 ? 335 TRP A HE1 1 ATOM 3158 N N . ASP A 1 335 ? 58.031 28.602 30.148 1.00 7.88 ? 336 ASP A N 1 ATOM 3159 C CA . ASP A 1 335 ? 58.065 29.534 31.249 1.00 9.11 ? 336 ASP A CA 1 ATOM 3160 C C . ASP A 1 335 ? 57.917 28.810 32.588 1.00 11.30 ? 336 ASP A C 1 ATOM 3161 O O . ASP A 1 335 ? 58.703 29.014 33.513 1.00 11.33 ? 336 ASP A O 1 ATOM 3162 C CB . ASP A 1 335 ? 56.945 30.557 31.078 1.00 11.17 ? 336 ASP A CB 1 ATOM 3163 C CG . ASP A 1 335 ? 56.906 31.559 32.207 1.00 17.28 ? 336 ASP A CG 1 ATOM 3164 O OD1 . ASP A 1 335 ? 57.870 32.334 32.341 1.00 22.50 ? 336 ASP A OD1 1 ATOM 3165 O OD2 . ASP A 1 335 ? 55.928 31.560 32.982 1.00 21.32 ? 336 ASP A OD2 1 ATOM 3166 H H . ASP A 1 335 ? 57.343 28.700 29.459 1.00 7.88 ? 336 ASP A H 1 ATOM 3167 N N . LYS A 1 336 ? 56.923 27.943 32.679 1.00 10.07 ? 337 LYS A N 1 ATOM 3168 C CA . LYS A 1 336 ? 56.685 27.199 33.901 1.00 13.35 ? 337 LYS A CA 1 ATOM 3169 C C . LYS A 1 336 ? 57.866 26.275 34.249 1.00 13.85 ? 337 LYS A C 1 ATOM 3170 O O . LYS A 1 336 ? 58.183 26.095 35.419 1.00 14.06 ? 337 LYS A O 1 ATOM 3171 C CB . LYS A 1 336 ? 55.367 26.422 33.781 1.00 15.35 ? 337 LYS A CB 1 ATOM 3172 C CG . LYS A 1 336 ? 55.008 25.579 34.987 1.00 21.69 ? 337 LYS A CG 1 ATOM 3173 C CD . LYS A 1 336 ? 53.527 25.210 34.963 1.00 27.61 ? 337 LYS A CD 1 ATOM 3174 C CE . LYS A 1 336 ? 53.182 24.130 35.980 1.00 29.66 ? 337 LYS A CE 1 ATOM 3175 N NZ . LYS A 1 336 ? 53.824 22.837 35.592 1.00 35.27 ? 337 LYS A NZ 1 ATOM 3176 H H . LYS A 1 336 ? 56.341 27.799 31.905 1.00 10.07 ? 337 LYS A H 1 ATOM 3177 H HZ1 . LYS A 1 336 ? 53.473 22.614 34.632 1.00 35.27 ? 337 LYS A HZ1 1 ATOM 3178 H HZ2 . LYS A 1 336 ? 54.853 22.963 35.527 1.00 35.27 ? 337 LYS A HZ2 1 ATOM 3179 H HZ3 . LYS A 1 336 ? 53.583 22.069 36.244 1.00 35.27 ? 337 LYS A HZ3 1 ATOM 3180 N N . GLN A 1 337 ? 58.515 25.687 33.247 1.00 13.57 ? 338 GLN A N 1 ATOM 3181 C CA . GLN A 1 337 ? 59.658 24.806 33.497 1.00 15.45 ? 338 GLN A CA 1 ATOM 3182 C C . GLN A 1 337 ? 60.932 25.582 33.825 1.00 15.30 ? 338 GLN A C 1 ATOM 3183 O O . GLN A 1 337 ? 61.851 25.037 34.437 1.00 16.76 ? 338 GLN A O 1 ATOM 3184 C CB . GLN A 1 337 ? 59.966 23.953 32.274 1.00 18.61 ? 338 GLN A CB 1 ATOM 3185 C CG . GLN A 1 337 ? 59.036 22.808 32.060 1.00 27.23 ? 338 GLN A CG 1 ATOM 3186 C CD . GLN A 1 337 ? 59.309 22.112 30.751 1.00 31.86 ? 338 GLN A CD 1 ATOM 3187 O OE1 . GLN A 1 337 ? 60.465 22.002 30.310 1.00 33.53 ? 338 GLN A OE1 1 ATOM 3188 N NE2 . GLN A 1 337 ? 58.243 21.648 30.102 1.00 35.58 ? 338 GLN A NE2 1 ATOM 3189 H H . GLN A 1 337 ? 58.212 25.833 32.327 1.00 13.57 ? 338 GLN A H 1 ATOM 3190 H HE21 . GLN A 1 337 ? 58.393 21.228 29.231 1.00 35.58 ? 338 GLN A HE21 1 ATOM 3191 H HE22 . GLN A 1 337 ? 57.365 21.772 30.520 1.00 35.58 ? 338 GLN A HE22 1 ATOM 3192 N N . GLY A 1 338 ? 61.022 26.810 33.326 1.00 13.89 ? 339 GLY A N 1 ATOM 3193 C CA . GLY A 1 338 ? 62.199 27.617 33.562 1.00 12.21 ? 339 GLY A CA 1 ATOM 3194 C C . GLY A 1 338 ? 63.324 27.314 32.584 1.00 13.22 ? 339 GLY A C 1 ATOM 3195 O O . GLY A 1 338 ? 64.487 27.661 32.834 1.00 11.56 ? 339 GLY A O 1 ATOM 3196 H H . GLY A 1 338 ? 60.288 27.167 32.788 1.00 13.89 ? 339 GLY A H 1 ATOM 3197 N N . SER A 1 339 ? 62.991 26.657 31.478 1.00 12.48 ? 340 SER A N 1 ATOM 3198 C CA . SER A 1 339 ? 63.979 26.339 30.458 1.00 12.28 ? 340 SER A CA 1 ATOM 3199 C C . SER A 1 339 ? 63.322 25.862 29.174 1.00 12.80 ? 340 SER A C 1 ATOM 3200 O O . SER A 1 339 ? 62.133 25.525 29.142 1.00 11.10 ? 340 SER A O 1 ATOM 3201 C CB . SER A 1 339 ? 64.989 25.297 30.939 1.00 13.68 ? 340 SER A CB 1 ATOM 3202 O OG . SER A 1 339 ? 64.431 23.999 30.964 1.00 17.15 ? 340 SER A OG 1 ATOM 3203 H H . SER A 1 339 ? 62.059 26.386 31.306 1.00 12.48 ? 340 SER A H 1 ATOM 3204 H HG . SER A 1 339 ? 63.699 24.019 31.599 1.00 17.15 ? 340 SER A HG 1 ATOM 3205 N N . LEU A 1 340 ? 64.132 25.813 28.132 1.00 10.51 ? 341 LEU A N 1 ATOM 3206 C CA . LEU A 1 340 ? 63.705 25.403 26.812 1.00 12.15 ? 341 LEU A CA 1 ATOM 3207 C C . LEU A 1 340 ? 64.841 24.553 26.257 1.00 13.62 ? 341 LEU A C 1 ATOM 3208 O O . LEU A 1 340 ? 66.008 24.865 26.461 1.00 12.31 ? 341 LEU A O 1 ATOM 3209 C CB . LEU A 1 340 ? 63.504 26.677 25.995 1.00 14.61 ? 341 LEU A CB 1 ATOM 3210 C CG . LEU A 1 340 ? 63.504 26.853 24.484 1.00 16.26 ? 341 LEU A CG 1 ATOM 3211 C CD1 . LEU A 1 340 ? 63.040 28.293 24.232 1.00 15.48 ? 341 LEU A CD1 1 ATOM 3212 C CD2 . LEU A 1 340 ? 64.872 26.625 23.875 1.00 11.03 ? 341 LEU A CD2 1 ATOM 3213 H H . LEU A 1 340 ? 65.077 26.073 28.227 1.00 10.51 ? 341 LEU A H 1 ATOM 3214 N N . GLU A 1 341 ? 64.513 23.460 25.593 1.00 13.60 ? 342 GLU A N 1 ATOM 3215 C CA . GLU A 1 341 ? 65.544 22.619 25.028 1.00 14.74 ? 342 GLU A CA 1 ATOM 3216 C C . GLU A 1 341 ? 65.398 22.544 23.514 1.00 13.70 ? 342 GLU A C 1 ATOM 3217 O O . GLU A 1 341 ? 64.281 22.536 23.008 1.00 14.59 ? 342 GLU A O 1 ATOM 3218 C CB . GLU A 1 341 ? 65.458 21.222 25.638 1.00 17.46 ? 342 GLU A CB 1 ATOM 3219 C CG . GLU A 1 341 ? 66.447 20.255 25.029 1.00 25.52 ? 342 GLU A CG 1 ATOM 3220 C CD . GLU A 1 341 ? 66.350 18.846 25.581 1.00 31.53 ? 342 GLU A CD 1 ATOM 3221 O OE1 . GLU A 1 341 ? 65.243 18.416 25.991 1.00 32.91 ? 342 GLU A OE1 1 ATOM 3222 O OE2 . GLU A 1 341 ? 67.399 18.160 25.576 1.00 34.71 ? 342 GLU A OE2 1 ATOM 3223 H H . GLU A 1 341 ? 63.577 23.189 25.480 1.00 13.60 ? 342 GLU A H 1 ATOM 3224 N N . ILE A 1 342 ? 66.518 22.559 22.789 1.00 12.36 ? 343 ILE A N 1 ATOM 3225 C CA . ILE A 1 342 ? 66.486 22.442 21.334 1.00 10.30 ? 343 ILE A CA 1 ATOM 3226 C C . ILE A 1 342 ? 67.196 21.143 21.013 1.00 11.06 ? 343 ILE A C 1 ATOM 3227 O O . ILE A 1 342 ? 68.330 20.939 21.448 1.00 10.25 ? 343 ILE A O 1 ATOM 3228 C CB . ILE A 1 342 ? 67.226 23.588 20.632 1.00 10.64 ? 343 ILE A CB 1 ATOM 3229 C CG1 . ILE A 1 342 ? 66.589 24.922 20.999 1.00 9.91 ? 343 ILE A CG1 1 ATOM 3230 C CG2 . ILE A 1 342 ? 67.175 23.398 19.122 1.00 9.30 ? 343 ILE A CG2 1 ATOM 3231 C CD1 . ILE A 1 342 ? 67.199 26.107 20.291 1.00 9.95 ? 343 ILE A CD1 1 ATOM 3232 H H . ILE A 1 342 ? 67.386 22.616 23.235 1.00 12.36 ? 343 ILE A H 1 ATOM 3233 N N . THR A 1 343 ? 66.529 20.263 20.273 1.00 8.23 ? 344 THR A N 1 ATOM 3234 C CA . THR A 1 343 ? 67.101 18.976 19.915 1.00 8.48 ? 344 THR A CA 1 ATOM 3235 C C . THR A 1 343 ? 67.226 18.895 18.401 1.00 9.97 ? 344 THR A C 1 ATOM 3236 O O . THR A 1 343 ? 66.807 19.808 17.680 1.00 10.53 ? 344 THR A O 1 ATOM 3237 C CB . THR A 1 343 ? 66.206 17.803 20.396 1.00 10.23 ? 344 THR A CB 1 ATOM 3238 O OG1 . THR A 1 343 ? 65.039 17.713 19.566 1.00 10.88 ? 344 THR A OG1 1 ATOM 3239 C CG2 . THR A 1 343 ? 65.756 18.011 21.843 1.00 9.29 ? 344 THR A CG2 1 ATOM 3240 H H . THR A 1 343 ? 65.633 20.464 19.932 1.00 8.23 ? 344 THR A H 1 ATOM 3241 H HG1 . THR A 1 343 ? 64.553 16.933 19.885 1.00 10.88 ? 344 THR A HG1 1 ATOM 3242 N N . ASP A 1 344 ? 67.798 17.802 17.912 1.00 10.05 ? 345 ASP A N 1 ATOM 3243 C CA . ASP A 1 344 ? 67.953 17.614 16.481 1.00 13.59 ? 345 ASP A CA 1 ATOM 3244 C C . ASP A 1 344 ? 66.605 17.607 15.782 1.00 12.06 ? 345 ASP A C 1 ATOM 3245 O O . ASP A 1 344 ? 66.472 18.120 14.667 1.00 12.73 ? 345 ASP A O 1 ATOM 3246 C CB . ASP A 1 344 ? 68.684 16.309 16.190 1.00 16.42 ? 345 ASP A CB 1 ATOM 3247 C CG . ASP A 1 344 ? 70.189 16.471 16.224 1.00 24.22 ? 345 ASP A CG 1 ATOM 3248 O OD1 . ASP A 1 344 ? 70.693 17.582 15.912 1.00 27.60 ? 345 ASP A OD1 1 ATOM 3249 O OD2 . ASP A 1 344 ? 70.874 15.480 16.553 1.00 28.43 ? 345 ASP A OD2 1 ATOM 3250 H H . ASP A 1 344 ? 68.137 17.123 18.540 1.00 10.05 ? 345 ASP A H 1 ATOM 3251 N N . VAL A 1 345 ? 65.601 17.061 16.458 1.00 10.85 ? 346 VAL A N 1 ATOM 3252 C CA . VAL A 1 345 ? 64.250 16.981 15.905 1.00 10.30 ? 346 VAL A CA 1 ATOM 3253 C C . VAL A 1 345 ? 63.577 18.339 15.721 1.00 9.30 ? 346 VAL A C 1 ATOM 3254 O O . VAL A 1 345 ? 62.960 18.598 14.683 1.00 9.31 ? 346 VAL A O 1 ATOM 3255 C CB . VAL A 1 345 ? 63.345 16.079 16.778 1.00 10.57 ? 346 VAL A CB 1 ATOM 3256 C CG1 . VAL A 1 345 ? 61.917 16.105 16.275 1.00 10.62 ? 346 VAL A CG1 1 ATOM 3257 C CG2 . VAL A 1 345 ? 63.856 14.655 16.738 1.00 11.24 ? 346 VAL A CG2 1 ATOM 3258 H H . VAL A 1 345 ? 65.768 16.714 17.356 1.00 10.85 ? 346 VAL A H 1 ATOM 3259 N N . SER A 1 346 ? 63.700 19.205 16.720 1.00 10.25 ? 347 SER A N 1 ATOM 3260 C CA . SER A 1 346 ? 63.080 20.521 16.658 1.00 8.66 ? 347 SER A CA 1 ATOM 3261 C C . SER A 1 346 ? 63.976 21.667 16.165 1.00 11.43 ? 347 SER A C 1 ATOM 3262 O O . SER A 1 346 ? 63.511 22.811 16.059 1.00 9.89 ? 347 SER A O 1 ATOM 3263 C CB . SER A 1 346 ? 62.525 20.868 18.034 1.00 8.52 ? 347 SER A CB 1 ATOM 3264 O OG . SER A 1 346 ? 63.544 20.775 19.011 1.00 6.50 ? 347 SER A OG 1 ATOM 3265 H H . SER A 1 346 ? 64.201 18.982 17.538 1.00 10.25 ? 347 SER A H 1 ATOM 3266 H HG . SER A 1 346 ? 63.058 20.702 19.840 1.00 6.50 ? 347 SER A HG 1 ATOM 3267 N N . LEU A 1 347 ? 65.233 21.367 15.827 1.00 9.71 ? 348 LEU A N 1 ATOM 3268 C CA . LEU A 1 347 ? 66.159 22.399 15.387 1.00 9.15 ? 348 LEU A CA 1 ATOM 3269 C C . LEU A 1 347 ? 65.612 23.283 14.273 1.00 9.84 ? 348 LEU A C 1 ATOM 3270 O O . LEU A 1 347 ? 65.653 24.501 14.387 1.00 8.62 ? 348 LEU A O 1 ATOM 3271 C CB . LEU A 1 347 ? 67.495 21.796 14.957 1.00 8.48 ? 348 LEU A CB 1 ATOM 3272 C CG . LEU A 1 347 ? 68.589 22.820 14.598 1.00 11.45 ? 348 LEU A CG 1 ATOM 3273 C CD1 . LEU A 1 347 ? 68.935 23.716 15.794 1.00 9.55 ? 348 LEU A CD1 1 ATOM 3274 C CD2 . LEU A 1 347 ? 69.815 22.090 14.126 1.00 8.85 ? 348 LEU A CD2 1 ATOM 3275 H H . LEU A 1 347 ? 65.541 20.436 15.890 1.00 9.71 ? 348 LEU A H 1 ATOM 3276 N N . ASP A 1 348 ? 65.092 22.679 13.209 1.00 10.09 ? 349 ASP A N 1 ATOM 3277 C CA . ASP A 1 348 ? 64.560 23.449 12.095 1.00 11.54 ? 349 ASP A CA 1 ATOM 3278 C C . ASP A 1 348 ? 63.451 24.418 12.492 1.00 11.60 ? 349 ASP A C 1 ATOM 3279 O O . ASP A 1 348 ? 63.389 25.526 11.967 1.00 11.12 ? 349 ASP A O 1 ATOM 3280 C CB . ASP A 1 348 ? 64.081 22.536 10.966 1.00 15.37 ? 349 ASP A CB 1 ATOM 3281 C CG . ASP A 1 348 ? 65.224 21.963 10.150 1.00 22.94 ? 349 ASP A CG 1 ATOM 3282 O OD1 . ASP A 1 348 ? 66.332 22.557 10.138 1.00 26.33 ? 349 ASP A OD1 1 ATOM 3283 O OD2 . ASP A 1 348 ? 65.004 20.913 9.509 1.00 27.02 ? 349 ASP A OD2 1 ATOM 3284 H H . ASP A 1 348 ? 65.071 21.694 13.169 1.00 10.09 ? 349 ASP A H 1 ATOM 3285 N N . PHE A 1 349 ? 62.562 24.003 13.389 1.00 10.37 ? 350 PHE A N 1 ATOM 3286 C CA . PHE A 1 349 ? 61.487 24.885 13.848 1.00 10.02 ? 350 PHE A CA 1 ATOM 3287 C C . PHE A 1 349 ? 62.106 26.169 14.440 1.00 9.26 ? 350 PHE A C 1 ATOM 3288 O O . PHE A 1 349 ? 61.715 27.292 14.086 1.00 7.51 ? 350 PHE A O 1 ATOM 3289 C CB . PHE A 1 349 ? 60.625 24.189 14.916 1.00 6.88 ? 350 PHE A CB 1 ATOM 3290 C CG . PHE A 1 349 ? 59.741 25.132 15.693 1.00 7.46 ? 350 PHE A CG 1 ATOM 3291 C CD1 . PHE A 1 349 ? 58.490 25.502 15.204 1.00 9.69 ? 350 PHE A CD1 1 ATOM 3292 C CD2 . PHE A 1 349 ? 60.186 25.695 16.888 1.00 7.52 ? 350 PHE A CD2 1 ATOM 3293 C CE1 . PHE A 1 349 ? 57.698 26.430 15.893 1.00 8.96 ? 350 PHE A CE1 1 ATOM 3294 C CE2 . PHE A 1 349 ? 59.409 26.621 17.586 1.00 9.59 ? 350 PHE A CE2 1 ATOM 3295 C CZ . PHE A 1 349 ? 58.158 26.994 17.083 1.00 10.41 ? 350 PHE A CZ 1 ATOM 3296 H H . PHE A 1 349 ? 62.628 23.085 13.729 1.00 10.37 ? 350 PHE A H 1 ATOM 3297 N N . PHE A 1 350 ? 63.077 25.986 15.332 1.00 8.73 ? 351 PHE A N 1 ATOM 3298 C CA . PHE A 1 350 ? 63.747 27.110 15.988 1.00 10.79 ? 351 PHE A CA 1 ATOM 3299 C C . PHE A 1 350 ? 64.647 27.942 15.066 1.00 12.17 ? 351 PHE A C 1 ATOM 3300 O O . PHE A 1 350 ? 64.635 29.176 15.122 1.00 10.69 ? 351 PHE A O 1 ATOM 3301 C CB . PHE A 1 350 ? 64.567 26.615 17.180 1.00 9.42 ? 351 PHE A CB 1 ATOM 3302 C CG . PHE A 1 350 ? 63.734 26.140 18.340 1.00 7.40 ? 351 PHE A CG 1 ATOM 3303 C CD1 . PHE A 1 350 ? 63.051 27.051 19.140 1.00 7.62 ? 351 PHE A CD1 1 ATOM 3304 C CD2 . PHE A 1 350 ? 63.659 24.793 18.649 1.00 6.98 ? 351 PHE A CD2 1 ATOM 3305 C CE1 . PHE A 1 350 ? 62.295 26.618 20.226 1.00 7.84 ? 351 PHE A CE1 1 ATOM 3306 C CE2 . PHE A 1 350 ? 62.907 24.348 19.734 1.00 7.83 ? 351 PHE A CE2 1 ATOM 3307 C CZ . PHE A 1 350 ? 62.230 25.258 20.527 1.00 7.42 ? 351 PHE A CZ 1 ATOM 3308 H H . PHE A 1 350 ? 63.344 25.067 15.547 1.00 8.73 ? 351 PHE A H 1 ATOM 3309 N N . LYS A 1 351 ? 65.404 27.262 14.213 1.00 13.19 ? 352 LYS A N 1 ATOM 3310 C CA . LYS A 1 351 ? 66.329 27.920 13.301 1.00 16.62 ? 352 LYS A CA 1 ATOM 3311 C C . LYS A 1 351 ? 65.621 28.873 12.335 1.00 15.20 ? 352 LYS A C 1 ATOM 3312 O O . LYS A 1 351 ? 66.162 29.929 11.984 1.00 14.39 ? 352 LYS A O 1 ATOM 3313 C CB . LYS A 1 351 ? 67.156 26.871 12.556 1.00 19.98 ? 352 LYS A CB 1 ATOM 3314 C CG . LYS A 1 351 ? 68.233 27.440 11.673 1.00 29.86 ? 352 LYS A CG 1 ATOM 3315 C CD . LYS A 1 351 ? 69.168 26.346 11.181 1.00 36.97 ? 352 LYS A CD 1 ATOM 3316 C CE . LYS A 1 351 ? 70.135 25.916 12.287 1.00 42.44 ? 352 LYS A CE 1 ATOM 3317 N NZ . LYS A 1 351 ? 71.102 27.011 12.679 1.00 45.78 ? 352 LYS A NZ 1 ATOM 3318 H H . LYS A 1 351 ? 65.325 26.295 14.202 1.00 13.19 ? 352 LYS A H 1 ATOM 3319 H HZ1 . LYS A 1 351 ? 70.598 27.853 13.022 1.00 45.78 ? 352 LYS A HZ1 1 ATOM 3320 H HZ2 . LYS A 1 351 ? 71.717 26.651 13.443 1.00 45.78 ? 352 LYS A HZ2 1 ATOM 3321 H HZ3 . LYS A 1 351 ? 71.693 27.269 11.864 1.00 45.78 ? 352 LYS A HZ3 1 ATOM 3322 N N . ALA A 1 352 ? 64.399 28.527 11.943 1.00 12.06 ? 353 ALA A N 1 ATOM 3323 C CA . ALA A 1 352 ? 63.623 29.383 11.058 1.00 11.01 ? 353 ALA A CA 1 ATOM 3324 C C . ALA A 1 352 ? 63.286 30.705 11.731 1.00 11.79 ? 353 ALA A C 1 ATOM 3325 O O . ALA A 1 352 ? 63.173 31.723 11.059 1.00 12.22 ? 353 ALA A O 1 ATOM 3326 C CB . ALA A 1 352 ? 62.342 28.684 10.632 1.00 12.47 ? 353 ALA A CB 1 ATOM 3327 H H . ALA A 1 352 ? 64.026 27.670 12.227 1.00 12.06 ? 353 ALA A H 1 ATOM 3328 N N . LEU A 1 353 ? 63.124 30.695 13.054 1.00 11.71 ? 354 LEU A N 1 ATOM 3329 C CA . LEU A 1 353 ? 62.770 31.908 13.801 1.00 14.00 ? 354 LEU A CA 1 ATOM 3330 C C . LEU A 1 353 ? 63.941 32.648 14.441 1.00 15.58 ? 354 LEU A C 1 ATOM 3331 O O . LEU A 1 353 ? 63.835 33.836 14.743 1.00 15.94 ? 354 LEU A O 1 ATOM 3332 C CB . LEU A 1 353 ? 61.779 31.567 14.912 1.00 12.72 ? 354 LEU A CB 1 ATOM 3333 C CG . LEU A 1 353 ? 60.514 30.873 14.436 1.00 13.29 ? 354 LEU A CG 1 ATOM 3334 C CD1 . LEU A 1 353 ? 59.738 30.352 15.626 1.00 13.36 ? 354 LEU A CD1 1 ATOM 3335 C CD2 . LEU A 1 353 ? 59.698 31.851 13.618 1.00 11.47 ? 354 LEU A CD2 1 ATOM 3336 H H . LEU A 1 353 ? 63.247 29.858 13.551 1.00 11.71 ? 354 LEU A H 1 ATOM 3337 N N . TYR A 1 354 ? 65.027 31.930 14.691 1.00 15.10 ? 355 TYR A N 1 ATOM 3338 C CA . TYR A 1 354 ? 66.199 32.491 15.333 1.00 15.43 ? 355 TYR A CA 1 ATOM 3339 C C . TYR A 1 354 ? 67.391 31.788 14.702 1.00 14.59 ? 355 TYR A C 1 ATOM 3340 O O . TYR A 1 354 ? 67.748 30.679 15.098 1.00 13.56 ? 355 TYR A O 1 ATOM 3341 C CB . TYR A 1 354 ? 66.104 32.205 16.830 1.00 15.25 ? 355 TYR A CB 1 ATOM 3342 C CG . TYR A 1 354 ? 67.339 32.546 17.617 1.00 19.13 ? 355 TYR A CG 1 ATOM 3343 C CD1 . TYR A 1 354 ? 67.749 33.872 17.769 1.00 20.13 ? 355 TYR A CD1 1 ATOM 3344 C CD2 . TYR A 1 354 ? 68.099 31.540 18.217 1.00 18.66 ? 355 TYR A CD2 1 ATOM 3345 C CE1 . TYR A 1 354 ? 68.895 34.187 18.501 1.00 22.31 ? 355 TYR A CE1 1 ATOM 3346 C CE2 . TYR A 1 354 ? 69.235 31.841 18.951 1.00 20.26 ? 355 TYR A CE2 1 ATOM 3347 C CZ . TYR A 1 354 ? 69.631 33.163 19.090 1.00 21.51 ? 355 TYR A CZ 1 ATOM 3348 O OH . TYR A 1 354 ? 70.777 33.450 19.798 1.00 24.33 ? 355 TYR A OH 1 ATOM 3349 H H . TYR A 1 354 ? 65.062 30.982 14.441 1.00 15.10 ? 355 TYR A H 1 ATOM 3350 H HH . TYR A 1 354 ? 70.782 34.399 20.048 1.00 24.33 ? 355 TYR A HH 1 ATOM 3351 N N . SER A 1 355 ? 67.999 32.424 13.705 1.00 14.23 ? 356 SER A N 1 ATOM 3352 C CA . SER A 1 355 ? 69.115 31.811 12.983 1.00 16.94 ? 356 SER A CA 1 ATOM 3353 C C . SER A 1 355 ? 70.290 31.312 13.808 1.00 15.28 ? 356 SER A C 1 ATOM 3354 O O . SER A 1 355 ? 71.019 30.435 13.363 1.00 19.80 ? 356 SER A O 1 ATOM 3355 C CB . SER A 1 355 ? 69.607 32.703 11.833 1.00 18.51 ? 356 SER A CB 1 ATOM 3356 O OG . SER A 1 355 ? 69.113 34.025 11.948 1.00 25.08 ? 356 SER A OG 1 ATOM 3357 H H . SER A 1 355 ? 67.710 33.321 13.412 1.00 14.23 ? 356 SER A H 1 ATOM 3358 H HG . SER A 1 355 ? 69.575 34.513 11.256 1.00 25.08 ? 356 SER A HG 1 ATOM 3359 N N . GLY A 1 356 ? 70.469 31.845 15.008 1.00 14.93 ? 357 GLY A N 1 ATOM 3360 C CA . GLY A 1 356 ? 71.560 31.380 15.844 1.00 17.32 ? 357 GLY A CA 1 ATOM 3361 C C . GLY A 1 356 ? 71.232 30.127 16.653 1.00 18.95 ? 357 GLY A C 1 ATOM 3362 O O . GLY A 1 356 ? 72.024 29.727 17.514 1.00 19.87 ? 357 GLY A O 1 ATOM 3363 H H . GLY A 1 356 ? 69.856 32.538 15.317 1.00 14.93 ? 357 GLY A H 1 ATOM 3364 N N . ALA A 1 357 ? 70.080 29.502 16.392 1.00 17.12 ? 358 ALA A N 1 ATOM 3365 C CA . ALA A 1 357 ? 69.674 28.312 17.143 1.00 15.43 ? 358 ALA A CA 1 ATOM 3366 C C . ALA A 1 357 ? 70.679 27.168 17.046 1.00 15.30 ? 358 ALA A C 1 ATOM 3367 O O . ALA A 1 357 ? 71.263 26.924 15.982 1.00 16.55 ? 358 ALA A O 1 ATOM 3368 C CB . ALA A 1 357 ? 68.300 27.839 16.699 1.00 15.40 ? 358 ALA A CB 1 ATOM 3369 H H . ALA A 1 357 ? 69.484 29.822 15.681 1.00 17.12 ? 358 ALA A H 1 ATOM 3370 N N . ALA A 1 358 ? 70.894 26.490 18.166 1.00 10.56 ? 359 ALA A N 1 ATOM 3371 C CA . ALA A 1 358 ? 71.807 25.359 18.232 1.00 11.19 ? 359 ALA A CA 1 ATOM 3372 C C . ALA A 1 358 ? 71.231 24.439 19.291 1.00 11.29 ? 359 ALA A C 1 ATOM 3373 O O . ALA A 1 358 ? 70.556 24.903 20.199 1.00 11.53 ? 359 ALA A O 1 ATOM 3374 C CB . ALA A 1 358 ? 73.204 25.820 18.639 1.00 11.46 ? 359 ALA A CB 1 ATOM 3375 H H . ALA A 1 358 ? 70.459 26.744 19.009 1.00 10.56 ? 359 ALA A H 1 ATOM 3376 N N . THR A 1 359 ? 71.477 23.139 19.177 1.00 10.58 ? 360 THR A N 1 ATOM 3377 C CA . THR A 1 359 ? 70.951 22.204 20.161 1.00 11.82 ? 360 THR A CA 1 ATOM 3378 C C . THR A 1 359 ? 71.528 22.523 21.535 1.00 12.33 ? 360 THR A C 1 ATOM 3379 O O . THR A 1 359 ? 72.627 23.084 21.655 1.00 12.31 ? 360 THR A O 1 ATOM 3380 C CB . THR A 1 359 ? 71.261 20.757 19.757 1.00 11.75 ? 360 THR A CB 1 ATOM 3381 O OG1 . THR A 1 359 ? 72.662 20.631 19.489 1.00 16.42 ? 360 THR A OG1 1 ATOM 3382 C CG2 . THR A 1 359 ? 70.505 20.408 18.471 1.00 13.44 ? 360 THR A CG2 1 ATOM 3383 H H . THR A 1 359 ? 72.040 22.780 18.453 1.00 10.58 ? 360 THR A H 1 ATOM 3384 H HG1 . THR A 1 359 ? 73.159 20.694 20.323 1.00 16.42 ? 360 THR A HG1 1 ATOM 3385 N N . GLY A 1 360 ? 70.768 22.215 22.575 1.00 12.16 ? 361 GLY A N 1 ATOM 3386 C CA . GLY A 1 360 ? 71.230 22.496 23.918 1.00 10.12 ? 361 GLY A CA 1 ATOM 3387 C C . GLY A 1 360 ? 70.043 22.816 24.795 1.00 10.55 ? 361 GLY A C 1 ATOM 3388 O O . GLY A 1 360 ? 68.895 22.792 24.329 1.00 9.54 ? 361 GLY A O 1 ATOM 3389 H H . GLY A 1 360 ? 69.890 21.791 22.463 1.00 12.16 ? 361 GLY A H 1 ATOM 3390 N N . THR A 1 361 ? 70.320 23.098 26.062 1.00 8.56 ? 362 THR A N 1 ATOM 3391 C CA . THR A 1 361 ? 69.302 23.431 27.051 1.00 10.72 ? 362 THR A CA 1 ATOM 3392 C C . THR A 1 361 ? 69.498 24.889 27.407 1.00 9.10 ? 362 THR A C 1 ATOM 3393 O O . THR A 1 361 ? 70.603 25.291 27.740 1.00 8.53 ? 362 THR A O 1 ATOM 3394 C CB . THR A 1 361 ? 69.503 22.591 28.312 1.00 11.67 ? 362 THR A CB 1 ATOM 3395 O OG1 . THR A 1 361 ? 69.542 21.215 27.940 1.00 15.48 ? 362 THR A OG1 1 ATOM 3396 C CG2 . THR A 1 361 ? 68.371 22.815 29.296 1.00 15.21 ? 362 THR A CG2 1 ATOM 3397 H H . THR A 1 361 ? 71.260 23.101 26.359 1.00 8.56 ? 362 THR A H 1 ATOM 3398 H HG1 . THR A 1 361 ? 68.683 20.956 27.574 1.00 15.48 ? 362 THR A HG1 1 ATOM 3399 N N . TYR A 1 362 ? 68.431 25.675 27.352 1.00 8.22 ? 363 TYR A N 1 ATOM 3400 C CA . TYR A 1 362 ? 68.532 27.094 27.643 1.00 8.81 ? 363 TYR A CA 1 ATOM 3401 C C . TYR A 1 362 ? 67.650 27.522 28.788 1.00 8.91 ? 363 TYR A C 1 ATOM 3402 O O . TYR A 1 362 ? 66.420 27.448 28.707 1.00 8.18 ? 363 TYR A O 1 ATOM 3403 C CB . TYR A 1 362 ? 68.230 27.896 26.381 1.00 7.72 ? 363 TYR A CB 1 ATOM 3404 C CG . TYR A 1 362 ? 69.135 27.491 25.234 1.00 9.01 ? 363 TYR A CG 1 ATOM 3405 C CD1 . TYR A 1 362 ? 70.389 28.079 25.073 1.00 8.18 ? 363 TYR A CD1 1 ATOM 3406 C CD2 . TYR A 1 362 ? 68.754 26.491 24.329 1.00 8.74 ? 363 TYR A CD2 1 ATOM 3407 C CE1 . TYR A 1 362 ? 71.246 27.688 24.043 1.00 6.96 ? 363 TYR A CE1 1 ATOM 3408 C CE2 . TYR A 1 362 ? 69.606 26.086 23.288 1.00 8.11 ? 363 TYR A CE2 1 ATOM 3409 C CZ . TYR A 1 362 ? 70.853 26.698 23.156 1.00 9.42 ? 363 TYR A CZ 1 ATOM 3410 O OH . TYR A 1 362 ? 71.702 26.336 22.135 1.00 7.81 ? 363 TYR A OH 1 ATOM 3411 H H . TYR A 1 362 ? 67.564 25.302 27.130 1.00 8.22 ? 363 TYR A H 1 ATOM 3412 H HH . TYR A 1 362 ? 71.296 25.624 21.639 1.00 7.81 ? 363 TYR A HH 1 ATOM 3413 N N . SER A 1 363 ? 68.287 27.973 29.862 1.00 10.37 ? 364 SER A N 1 ATOM 3414 C CA . SER A 1 363 ? 67.548 28.409 31.044 1.00 10.98 ? 364 SER A CA 1 ATOM 3415 C C . SER A 1 363 ? 66.781 29.684 30.737 1.00 10.57 ? 364 SER A C 1 ATOM 3416 O O . SER A 1 363 ? 67.140 30.430 29.818 1.00 10.09 ? 364 SER A O 1 ATOM 3417 C CB . SER A 1 363 ? 68.492 28.620 32.227 1.00 10.12 ? 364 SER A CB 1 ATOM 3418 O OG . SER A 1 363 ? 69.315 29.747 32.000 1.00 16.34 ? 364 SER A OG 1 ATOM 3419 H H . SER A 1 363 ? 69.269 28.046 29.853 1.00 10.37 ? 364 SER A H 1 ATOM 3420 H HG . SER A 1 363 ? 70.018 29.742 32.673 1.00 16.34 ? 364 SER A HG 1 ATOM 3421 N N . SER A 1 364 ? 65.725 29.932 31.505 1.00 11.87 ? 365 SER A N 1 ATOM 3422 C CA . SER A 1 364 ? 64.884 31.113 31.304 1.00 12.86 ? 365 SER A CA 1 ATOM 3423 C C . SER A 1 364 ? 65.599 32.449 31.521 1.00 12.66 ? 365 SER A C 1 ATOM 3424 O O . SER A 1 364 ? 65.117 33.493 31.090 1.00 12.83 ? 365 SER A O 1 ATOM 3425 C CB . SER A 1 364 ? 63.622 31.026 32.176 1.00 12.42 ? 365 SER A CB 1 ATOM 3426 O OG . SER A 1 364 ? 63.956 30.904 33.551 1.00 14.94 ? 365 SER A OG 1 ATOM 3427 H H . SER A 1 364 ? 65.486 29.321 32.239 1.00 11.87 ? 365 SER A H 1 ATOM 3428 H HG . SER A 1 364 ? 63.093 30.992 33.993 1.00 14.94 ? 365 SER A HG 1 ATOM 3429 N N . SER A 1 365 ? 66.765 32.420 32.155 1.00 11.14 ? 366 SER A N 1 ATOM 3430 C CA . SER A 1 365 ? 67.502 33.655 32.383 1.00 11.17 ? 366 SER A CA 1 ATOM 3431 C C . SER A 1 365 ? 68.580 33.877 31.325 1.00 11.14 ? 366 SER A C 1 ATOM 3432 O O . SER A 1 365 ? 69.241 34.916 31.321 1.00 10.97 ? 366 SER A O 1 ATOM 3433 C CB . SER A 1 365 ? 68.124 33.670 33.790 1.00 12.04 ? 366 SER A CB 1 ATOM 3434 O OG . SER A 1 365 ? 69.038 32.594 33.961 1.00 13.29 ? 366 SER A OG 1 ATOM 3435 H H . SER A 1 365 ? 67.147 31.585 32.502 1.00 11.14 ? 366 SER A H 1 ATOM 3436 H HG . SER A 1 365 ? 69.895 32.807 33.565 1.00 13.29 ? 366 SER A HG 1 ATOM 3437 N N . SER A 1 366 ? 68.741 32.921 30.413 1.00 11.57 ? 367 SER A N 1 ATOM 3438 C CA . SER A 1 366 ? 69.762 33.041 29.387 1.00 9.05 ? 367 SER A CA 1 ATOM 3439 C C . SER A 1 366 ? 69.363 33.950 28.243 1.00 9.19 ? 367 SER A C 1 ATOM 3440 O O . SER A 1 366 ? 68.173 34.161 27.964 1.00 8.15 ? 367 SER A O 1 ATOM 3441 C CB . SER A 1 366 ? 70.144 31.672 28.822 1.00 8.43 ? 367 SER A CB 1 ATOM 3442 O OG . SER A 1 366 ? 69.116 31.146 27.998 1.00 9.41 ? 367 SER A OG 1 ATOM 3443 H H . SER A 1 366 ? 68.163 32.135 30.411 1.00 11.57 ? 367 SER A H 1 ATOM 3444 H HG . SER A 1 366 ? 68.480 30.729 28.595 1.00 9.41 ? 367 SER A HG 1 ATOM 3445 N N A SER A 1 367 ? 70.381 34.477 27.572 0.40 8.18 ? 368 SER A N 1 ATOM 3446 N N B SER A 1 367 ? 70.374 34.497 27.580 0.60 8.84 ? 368 SER A N 1 ATOM 3447 C CA A SER A 1 367 ? 70.211 35.355 26.428 0.40 7.51 ? 368 SER A CA 1 ATOM 3448 C CA B SER A 1 367 ? 70.176 35.371 26.438 0.60 9.09 ? 368 SER A CA 1 ATOM 3449 C C A SER A 1 367 ? 69.494 34.617 25.301 0.40 7.24 ? 368 SER A C 1 ATOM 3450 C C B SER A 1 367 ? 69.496 34.619 25.292 0.60 7.79 ? 368 SER A C 1 ATOM 3451 O O A SER A 1 367 ? 68.596 35.166 24.666 0.40 7.66 ? 368 SER A O 1 ATOM 3452 O O B SER A 1 367 ? 68.618 35.165 24.632 0.60 8.34 ? 368 SER A O 1 ATOM 3453 C CB A SER A 1 367 ? 71.583 35.827 25.935 0.40 7.44 ? 368 SER A CB 1 ATOM 3454 C CB B SER A 1 367 ? 71.518 35.946 25.975 0.60 10.84 ? 368 SER A CB 1 ATOM 3455 O OG A SER A 1 367 ? 71.478 36.633 24.772 0.40 5.42 ? 368 SER A OG 1 ATOM 3456 O OG B SER A 1 367 ? 71.982 36.940 26.878 0.60 13.01 ? 368 SER A OG 1 ATOM 3457 H H A SER A 1 367 ? 71.298 34.274 27.871 0.40 8.18 ? 368 SER A H 1 ATOM 3458 H H B SER A 1 367 ? 71.298 34.308 27.866 0.60 8.84 ? 368 SER A H 1 ATOM 3459 H HG A SER A 1 367 ? 72.281 36.348 24.297 0.40 5.42 ? 368 SER A HG 1 ATOM 3460 H HG B SER A 1 367 ? 72.062 36.564 27.770 0.60 13.01 ? 368 SER A HG 1 ATOM 3461 N N . THR A 1 368 ? 69.888 33.374 25.050 1.00 7.97 ? 369 THR A N 1 ATOM 3462 C CA . THR A 1 368 ? 69.271 32.596 23.983 1.00 8.32 ? 369 THR A CA 1 ATOM 3463 C C . THR A 1 368 ? 67.778 32.358 24.242 1.00 10.23 ? 369 THR A C 1 ATOM 3464 O O . THR A 1 368 ? 66.954 32.477 23.322 1.00 11.68 ? 369 THR A O 1 ATOM 3465 C CB . THR A 1 368 ? 69.982 31.277 23.776 1.00 9.53 ? 369 THR A CB 1 ATOM 3466 O OG1 . THR A 1 368 ? 71.337 31.543 23.398 1.00 7.15 ? 369 THR A OG1 1 ATOM 3467 C CG2 . THR A 1 368 ? 69.299 30.473 22.673 1.00 9.00 ? 369 THR A CG2 1 ATOM 3468 H H . THR A 1 368 ? 70.602 32.965 25.589 1.00 7.97 ? 369 THR A H 1 ATOM 3469 H HG1 . THR A 1 368 ? 71.810 30.694 23.388 1.00 7.15 ? 369 THR A HG1 1 ATOM 3470 N N . TYR A 1 369 ? 67.429 32.039 25.489 1.00 9.10 ? 370 TYR A N 1 ATOM 3471 C CA . TYR A 1 369 ? 66.039 31.805 25.853 1.00 8.53 ? 370 TYR A CA 1 ATOM 3472 C C . TYR A 1 369 ? 65.225 33.047 25.490 1.00 10.13 ? 370 TYR A C 1 ATOM 3473 O O . TYR A 1 369 ? 64.249 32.966 24.730 1.00 8.81 ? 370 TYR A O 1 ATOM 3474 C CB . TYR A 1 369 ? 65.938 31.525 27.348 1.00 9.11 ? 370 TYR A CB 1 ATOM 3475 C CG . TYR A 1 369 ? 64.534 31.300 27.849 1.00 10.54 ? 370 TYR A CG 1 ATOM 3476 C CD1 . TYR A 1 369 ? 63.731 32.373 28.256 1.00 9.70 ? 370 TYR A CD1 1 ATOM 3477 C CD2 . TYR A 1 369 ? 64.010 30.010 27.947 1.00 10.20 ? 370 TYR A CD2 1 ATOM 3478 C CE1 . TYR A 1 369 ? 62.439 32.162 28.751 1.00 9.21 ? 370 TYR A CE1 1 ATOM 3479 C CE2 . TYR A 1 369 ? 62.721 29.791 28.444 1.00 8.90 ? 370 TYR A CE2 1 ATOM 3480 C CZ . TYR A 1 369 ? 61.945 30.864 28.845 1.00 8.87 ? 370 TYR A CZ 1 ATOM 3481 O OH . TYR A 1 369 ? 60.697 30.631 29.367 1.00 9.47 ? 370 TYR A OH 1 ATOM 3482 H H . TYR A 1 369 ? 68.104 31.920 26.189 1.00 9.10 ? 370 TYR A H 1 ATOM 3483 H HH . TYR A 1 369 ? 60.441 29.714 29.212 1.00 9.47 ? 370 TYR A HH 1 ATOM 3484 N N A SER A 1 370 ? 65.666 34.197 25.997 0.60 8.41 ? 371 SER A N 1 ATOM 3485 N N B SER A 1 370 ? 65.670 34.194 25.992 0.40 8.45 ? 371 SER A N 1 ATOM 3486 C CA A SER A 1 370 ? 65.004 35.476 25.755 0.60 10.57 ? 371 SER A CA 1 ATOM 3487 C CA B SER A 1 370 ? 65.009 35.465 25.746 0.40 9.64 ? 371 SER A CA 1 ATOM 3488 C C A SER A 1 370 ? 64.795 35.804 24.268 0.60 10.27 ? 371 SER A C 1 ATOM 3489 C C B SER A 1 370 ? 64.773 35.744 24.258 0.40 9.64 ? 371 SER A C 1 ATOM 3490 O O A SER A 1 370 ? 63.735 36.305 23.878 0.60 8.98 ? 371 SER A O 1 ATOM 3491 O O B SER A 1 370 ? 63.663 36.101 23.852 0.40 9.22 ? 371 SER A O 1 ATOM 3492 C CB A SER A 1 370 ? 65.790 36.592 26.444 0.60 12.28 ? 371 SER A CB 1 ATOM 3493 C CB B SER A 1 370 ? 65.834 36.596 26.358 0.40 9.85 ? 371 SER A CB 1 ATOM 3494 O OG A SER A 1 370 ? 65.994 36.281 27.816 0.60 18.12 ? 371 SER A OG 1 ATOM 3495 O OG B SER A 1 370 ? 65.174 37.837 26.222 0.40 11.68 ? 371 SER A OG 1 ATOM 3496 H H A SER A 1 370 ? 66.448 34.212 26.598 0.60 8.41 ? 371 SER A H 1 ATOM 3497 H H B SER A 1 370 ? 66.466 34.185 26.570 0.40 8.45 ? 371 SER A H 1 ATOM 3498 H HG A SER A 1 370 ? 66.720 36.855 28.142 0.60 18.12 ? 371 SER A HG 1 ATOM 3499 H HG B SER A 1 370 ? 65.809 38.510 26.502 0.40 11.68 ? 371 SER A HG 1 ATOM 3500 N N . SER A 1 371 ? 65.804 35.549 23.446 1.00 8.77 ? 372 SER A N 1 ATOM 3501 C CA . SER A 1 371 ? 65.702 35.796 22.007 1.00 10.63 ? 372 SER A CA 1 ATOM 3502 C C . SER A 1 371 ? 64.675 34.866 21.365 1.00 10.71 ? 372 SER A C 1 ATOM 3503 O O . SER A 1 371 ? 63.851 35.296 20.561 1.00 10.37 ? 372 SER A O 1 ATOM 3504 C CB . SER A 1 371 ? 67.060 35.600 21.322 1.00 11.64 ? 372 SER A CB 1 ATOM 3505 O OG . SER A 1 371 ? 67.995 36.587 21.730 1.00 15.34 ? 372 SER A OG 1 ATOM 3506 H H . SER A 1 371 ? 66.649 35.210 23.811 1.00 8.77 ? 372 SER A H 1 ATOM 3507 H HG . SER A 1 371 ? 68.038 36.625 22.702 1.00 15.34 ? 372 SER A HG 1 ATOM 3508 N N . ILE A 1 372 ? 64.731 33.591 21.727 1.00 8.54 ? 373 ILE A N 1 ATOM 3509 C CA . ILE A 1 372 ? 63.808 32.607 21.189 1.00 9.24 ? 373 ILE A CA 1 ATOM 3510 C C . ILE A 1 372 ? 62.336 32.836 21.562 1.00 8.24 ? 373 ILE A C 1 ATOM 3511 O O . ILE A 1 372 ? 61.477 32.816 20.682 1.00 10.47 ? 373 ILE A O 1 ATOM 3512 C CB . ILE A 1 372 ? 64.254 31.172 21.560 1.00 9.88 ? 373 ILE A CB 1 ATOM 3513 C CG1 . ILE A 1 372 ? 65.536 30.840 20.792 1.00 12.44 ? 373 ILE A CG1 1 ATOM 3514 C CG2 . ILE A 1 372 ? 63.142 30.153 21.274 1.00 6.32 ? 373 ILE A CG2 1 ATOM 3515 C CD1 . ILE A 1 372 ? 66.175 29.548 21.212 1.00 14.69 ? 373 ILE A CD1 1 ATOM 3516 H H . ILE A 1 372 ? 65.406 33.297 22.380 1.00 8.54 ? 373 ILE A H 1 ATOM 3517 N N . VAL A 1 373 ? 62.031 33.067 22.838 1.00 7.90 ? 374 VAL A N 1 ATOM 3518 C CA . VAL A 1 373 ? 60.639 33.280 23.219 1.00 9.46 ? 374 VAL A CA 1 ATOM 3519 C C . VAL A 1 373 ? 60.053 34.550 22.603 1.00 10.41 ? 374 VAL A C 1 ATOM 3520 O O . VAL A 1 373 ? 58.872 34.581 22.278 1.00 10.69 ? 374 VAL A O 1 ATOM 3521 C CB . VAL A 1 373 ? 60.391 33.195 24.746 1.00 9.09 ? 374 VAL A CB 1 ATOM 3522 C CG1 . VAL A 1 373 ? 60.833 31.832 25.260 1.00 6.99 ? 374 VAL A CG1 1 ATOM 3523 C CG2 . VAL A 1 373 ? 61.093 34.309 25.482 1.00 8.90 ? 374 VAL A CG2 1 ATOM 3524 H H . VAL A 1 373 ? 62.738 33.075 23.517 1.00 7.90 ? 374 VAL A H 1 ATOM 3525 N N A SER A 1 374 ? 60.872 35.584 22.435 0.56 9.43 ? 375 SER A N 1 ATOM 3526 N N B SER A 1 374 ? 60.872 35.587 22.443 0.44 9.01 ? 375 SER A N 1 ATOM 3527 C CA A SER A 1 374 ? 60.404 36.819 21.816 0.56 10.77 ? 375 SER A CA 1 ATOM 3528 C CA B SER A 1 374 ? 60.405 36.824 21.825 0.44 9.33 ? 375 SER A CA 1 ATOM 3529 C C A SER A 1 374 ? 60.028 36.514 20.366 0.56 9.97 ? 375 SER A C 1 ATOM 3530 C C B SER A 1 374 ? 60.039 36.533 20.365 0.44 9.27 ? 375 SER A C 1 ATOM 3531 O O A SER A 1 374 ? 58.963 36.901 19.896 0.56 10.36 ? 375 SER A O 1 ATOM 3532 O O B SER A 1 374 ? 58.985 36.946 19.890 0.44 9.46 ? 375 SER A O 1 ATOM 3533 C CB A SER A 1 374 ? 61.504 37.886 21.837 0.56 12.70 ? 375 SER A CB 1 ATOM 3534 C CB B SER A 1 374 ? 61.490 37.905 21.883 0.44 10.03 ? 375 SER A CB 1 ATOM 3535 O OG A SER A 1 374 ? 61.077 39.079 21.195 0.56 16.71 ? 375 SER A OG 1 ATOM 3536 O OG B SER A 1 374 ? 61.809 38.243 23.222 0.44 9.65 ? 375 SER A OG 1 ATOM 3537 H H A SER A 1 374 ? 61.798 35.532 22.748 0.56 9.43 ? 375 SER A H 1 ATOM 3538 H H B SER A 1 374 ? 61.797 35.563 22.775 0.44 9.01 ? 375 SER A H 1 ATOM 3539 H HG A SER A 1 374 ? 61.115 39.015 20.228 0.56 16.71 ? 375 SER A HG 1 ATOM 3540 H HG B SER A 1 374 ? 61.052 38.520 23.762 0.44 9.65 ? 375 SER A HG 1 ATOM 3541 N N . ALA A 1 375 ? 60.896 35.784 19.678 1.00 8.92 ? 376 ALA A N 1 ATOM 3542 C CA . ALA A 1 375 ? 60.661 35.423 18.283 1.00 9.38 ? 376 ALA A CA 1 ATOM 3543 C C . ALA A 1 375 ? 59.402 34.542 18.167 1.00 9.81 ? 376 ALA A C 1 ATOM 3544 O O . ALA A 1 375 ? 58.602 34.726 17.257 1.00 9.85 ? 376 ALA A O 1 ATOM 3545 C CB . ALA A 1 375 ? 61.883 34.681 17.715 1.00 9.21 ? 376 ALA A CB 1 ATOM 3546 H H . ALA A 1 375 ? 61.705 35.462 20.128 1.00 8.92 ? 376 ALA A H 1 ATOM 3547 N N . VAL A 1 376 ? 59.240 33.586 19.088 1.00 8.12 ? 377 VAL A N 1 ATOM 3548 C CA . VAL A 1 376 ? 58.086 32.687 19.081 1.00 8.28 ? 377 VAL A CA 1 ATOM 3549 C C . VAL A 1 376 ? 56.771 33.436 19.345 1.00 9.96 ? 377 VAL A C 1 ATOM 3550 O O . VAL A 1 376 ? 55.774 33.195 18.662 1.00 10.27 ? 377 VAL A O 1 ATOM 3551 C CB . VAL A 1 376 ? 58.261 31.500 20.090 1.00 7.72 ? 377 VAL A CB 1 ATOM 3552 C CG1 . VAL A 1 376 ? 56.956 30.714 20.238 1.00 4.54 ? 377 VAL A CG1 1 ATOM 3553 C CG2 . VAL A 1 376 ? 59.353 30.545 19.593 1.00 4.52 ? 377 VAL A CG2 1 ATOM 3554 H H . VAL A 1 376 ? 59.913 33.456 19.785 1.00 8.12 ? 377 VAL A H 1 ATOM 3555 N N . LYS A 1 377 ? 56.780 34.363 20.303 1.00 8.62 ? 378 LYS A N 1 ATOM 3556 C CA . LYS A 1 377 ? 55.588 35.139 20.634 1.00 10.31 ? 378 LYS A CA 1 ATOM 3557 C C . LYS A 1 377 ? 55.173 35.984 19.427 1.00 11.51 ? 378 LYS A C 1 ATOM 3558 O O . LYS A 1 377 ? 53.990 36.072 19.097 1.00 9.75 ? 378 LYS A O 1 ATOM 3559 C CB . LYS A 1 377 ? 55.869 36.033 21.850 1.00 10.77 ? 378 LYS A CB 1 ATOM 3560 C CG . LYS A 1 377 ? 54.734 36.963 22.255 1.00 16.41 ? 378 LYS A CG 1 ATOM 3561 C CD . LYS A 1 377 ? 53.523 36.194 22.780 1.00 21.31 ? 378 LYS A CD 1 ATOM 3562 C CE . LYS A 1 377 ? 52.610 37.080 23.642 1.00 23.37 ? 378 LYS A CE 1 ATOM 3563 N NZ . LYS A 1 377 ? 52.024 38.221 22.889 1.00 26.04 ? 378 LYS A NZ 1 ATOM 3564 H H . LYS A 1 377 ? 57.605 34.536 20.799 1.00 8.62 ? 378 LYS A H 1 ATOM 3565 H HZ1 . LYS A 1 377 ? 51.524 37.863 22.042 1.00 26.04 ? 378 LYS A HZ1 1 ATOM 3566 H HZ2 . LYS A 1 377 ? 51.350 38.722 23.512 1.00 26.04 ? 378 LYS A HZ2 1 ATOM 3567 H HZ3 . LYS A 1 377 ? 52.778 38.858 22.569 1.00 26.04 ? 378 LYS A HZ3 1 ATOM 3568 N N . THR A 1 378 ? 56.153 36.595 18.766 1.00 10.54 ? 379 THR A N 1 ATOM 3569 C CA . THR A 1 378 ? 55.880 37.428 17.593 1.00 11.57 ? 379 THR A CA 1 ATOM 3570 C C . THR A 1 378 ? 55.274 36.599 16.465 1.00 8.53 ? 379 THR A C 1 ATOM 3571 O O . THR A 1 378 ? 54.315 37.024 15.824 1.00 7.64 ? 379 THR A O 1 ATOM 3572 C CB . THR A 1 378 ? 57.177 38.163 17.093 1.00 11.58 ? 379 THR A CB 1 ATOM 3573 O OG1 . THR A 1 378 ? 57.647 39.045 18.121 1.00 13.14 ? 379 THR A OG1 1 ATOM 3574 C CG2 . THR A 1 378 ? 56.888 39.000 15.841 1.00 11.82 ? 379 THR A CG2 1 ATOM 3575 H H . THR A 1 378 ? 57.089 36.534 19.085 1.00 10.54 ? 379 THR A H 1 ATOM 3576 H HG1 . THR A 1 378 ? 56.935 39.646 18.381 1.00 13.14 ? 379 THR A HG1 1 ATOM 3577 N N . PHE A 1 379 ? 55.842 35.416 16.245 1.00 6.81 ? 380 PHE A N 1 ATOM 3578 C CA . PHE A 1 379 ? 55.395 34.494 15.216 1.00 5.46 ? 380 PHE A CA 1 ATOM 3579 C C . PHE A 1 379 ? 53.940 34.100 15.501 1.00 6.88 ? 380 PHE A C 1 ATOM 3580 O O . PHE A 1 379 ? 53.093 34.169 14.611 1.00 8.25 ? 380 PHE A O 1 ATOM 3581 C CB . PHE A 1 379 ? 56.309 33.267 15.254 1.00 6.21 ? 380 PHE A CB 1 ATOM 3582 C CG . PHE A 1 379 ? 56.071 32.240 14.160 1.00 5.45 ? 380 PHE A CG 1 ATOM 3583 C CD1 . PHE A 1 379 ? 55.941 32.614 12.821 1.00 7.07 ? 380 PHE A CD1 1 ATOM 3584 C CD2 . PHE A 1 379 ? 56.061 30.876 14.474 1.00 5.36 ? 380 PHE A CD2 1 ATOM 3585 C CE1 . PHE A 1 379 ? 55.831 31.647 11.805 1.00 6.04 ? 380 PHE A CE1 1 ATOM 3586 C CE2 . PHE A 1 379 ? 55.952 29.910 13.470 1.00 6.13 ? 380 PHE A CE2 1 ATOM 3587 C CZ . PHE A 1 379 ? 55.831 30.300 12.132 1.00 6.42 ? 380 PHE A CZ 1 ATOM 3588 H H . PHE A 1 379 ? 56.603 35.160 16.812 1.00 6.81 ? 380 PHE A H 1 ATOM 3589 N N . ALA A 1 380 ? 53.656 33.720 16.747 1.00 4.35 ? 381 ALA A N 1 ATOM 3590 C CA . ALA A 1 380 ? 52.310 33.312 17.158 1.00 5.50 ? 381 ALA A CA 1 ATOM 3591 C C . ALA A 1 380 ? 51.292 34.436 16.960 1.00 6.19 ? 381 ALA A C 1 ATOM 3592 O O . ALA A 1 380 ? 50.218 34.212 16.388 1.00 7.27 ? 381 ALA A O 1 ATOM 3593 C CB . ALA A 1 380 ? 52.314 32.839 18.617 1.00 3.13 ? 381 ALA A CB 1 ATOM 3594 H H . ALA A 1 380 ? 54.376 33.694 17.413 1.00 4.35 ? 381 ALA A H 1 ATOM 3595 N N . ASP A 1 381 ? 51.620 35.636 17.444 1.00 5.57 ? 382 ASP A N 1 ATOM 3596 C CA . ASP A 1 381 ? 50.750 36.796 17.292 1.00 7.12 ? 382 ASP A CA 1 ATOM 3597 C C . ASP A 1 381 ? 50.492 37.073 15.814 1.00 8.66 ? 382 ASP A C 1 ATOM 3598 O O . ASP A 1 381 ? 49.451 37.631 15.451 1.00 7.53 ? 382 ASP A O 1 ATOM 3599 C CB . ASP A 1 381 ? 51.384 38.039 17.923 1.00 9.87 ? 382 ASP A CB 1 ATOM 3600 C CG . ASP A 1 381 ? 51.211 38.093 19.430 1.00 11.06 ? 382 ASP A CG 1 ATOM 3601 O OD1 . ASP A 1 381 ? 50.653 37.159 20.019 1.00 12.02 ? 382 ASP A OD1 1 ATOM 3602 O OD2 . ASP A 1 381 ? 51.631 39.094 20.038 1.00 13.20 ? 382 ASP A OD2 1 ATOM 3603 H H . ASP A 1 381 ? 52.462 35.740 17.926 1.00 5.57 ? 382 ASP A H 1 ATOM 3604 N N . GLY A 1 382 ? 51.470 36.725 14.978 1.00 9.59 ? 383 GLY A N 1 ATOM 3605 C CA . GLY A 1 382 ? 51.345 36.905 13.542 1.00 8.41 ? 383 GLY A CA 1 ATOM 3606 C C . GLY A 1 382 ? 50.143 36.154 12.987 1.00 9.97 ? 383 GLY A C 1 ATOM 3607 O O . GLY A 1 382 ? 49.417 36.682 12.128 1.00 10.22 ? 383 GLY A O 1 ATOM 3608 H H . GLY A 1 382 ? 52.294 36.344 15.335 1.00 9.59 ? 383 GLY A H 1 ATOM 3609 N N . PHE A 1 383 ? 49.935 34.921 13.448 1.00 6.79 ? 384 PHE A N 1 ATOM 3610 C CA . PHE A 1 383 ? 48.792 34.140 12.985 1.00 8.17 ? 384 PHE A CA 1 ATOM 3611 C C . PHE A 1 383 ? 47.510 34.832 13.416 1.00 9.45 ? 384 PHE A C 1 ATOM 3612 O O . PHE A 1 383 ? 46.561 34.927 12.646 1.00 10.36 ? 384 PHE A O 1 ATOM 3613 C CB . PHE A 1 383 ? 48.814 32.712 13.533 1.00 7.41 ? 384 PHE A CB 1 ATOM 3614 C CG . PHE A 1 383 ? 49.910 31.862 12.966 1.00 7.50 ? 384 PHE A CG 1 ATOM 3615 C CD1 . PHE A 1 383 ? 49.776 31.273 11.714 1.00 6.86 ? 384 PHE A CD1 1 ATOM 3616 C CD2 . PHE A 1 383 ? 51.083 31.658 13.678 1.00 6.64 ? 384 PHE A CD2 1 ATOM 3617 C CE1 . PHE A 1 383 ? 50.788 30.481 11.183 1.00 4.20 ? 384 PHE A CE1 1 ATOM 3618 C CE2 . PHE A 1 383 ? 52.107 30.866 13.155 1.00 8.08 ? 384 PHE A CE2 1 ATOM 3619 C CZ . PHE A 1 383 ? 51.959 30.278 11.898 1.00 6.27 ? 384 PHE A CZ 1 ATOM 3620 H H . PHE A 1 383 ? 50.559 34.531 14.101 1.00 6.79 ? 384 PHE A H 1 ATOM 3621 N N . VAL A 1 384 ? 47.487 35.352 14.636 1.00 9.86 ? 385 VAL A N 1 ATOM 3622 C CA . VAL A 1 384 ? 46.287 36.017 15.106 1.00 10.41 ? 385 VAL A CA 1 ATOM 3623 C C . VAL A 1 384 ? 45.979 37.303 14.324 1.00 10.32 ? 385 VAL A C 1 ATOM 3624 O O . VAL A 1 384 ? 44.809 37.627 14.103 1.00 9.11 ? 385 VAL A O 1 ATOM 3625 C CB . VAL A 1 384 ? 46.315 36.240 16.629 1.00 10.42 ? 385 VAL A CB 1 ATOM 3626 C CG1 . VAL A 1 384 ? 44.998 36.834 17.078 1.00 12.06 ? 385 VAL A CG1 1 ATOM 3627 C CG2 . VAL A 1 384 ? 46.520 34.903 17.336 1.00 8.78 ? 385 VAL A CG2 1 ATOM 3628 H H . VAL A 1 384 ? 48.264 35.256 15.224 1.00 9.86 ? 385 VAL A H 1 ATOM 3629 N N . SER A 1 385 ? 47.016 37.992 13.852 1.00 9.48 ? 386 SER A N 1 ATOM 3630 C CA . SER A 1 385 ? 46.832 39.210 13.064 1.00 12.30 ? 386 SER A CA 1 ATOM 3631 C C . SER A 1 385 ? 46.190 38.905 11.718 1.00 10.87 ? 386 SER A C 1 ATOM 3632 O O . SER A 1 385 ? 45.372 39.678 11.214 1.00 10.64 ? 386 SER A O 1 ATOM 3633 C CB . SER A 1 385 ? 48.169 39.911 12.852 1.00 11.83 ? 386 SER A CB 1 ATOM 3634 O OG . SER A 1 385 ? 48.640 40.368 14.099 1.00 18.02 ? 386 SER A OG 1 ATOM 3635 H H . SER A 1 385 ? 47.921 37.674 14.052 1.00 9.48 ? 386 SER A H 1 ATOM 3636 H HG . SER A 1 385 ? 48.828 39.604 14.665 1.00 18.02 ? 386 SER A HG 1 ATOM 3637 N N . ILE A 1 386 ? 46.564 37.772 11.140 1.00 8.86 ? 387 ILE A N 1 ATOM 3638 C CA . ILE A 1 386 ? 45.998 37.360 9.872 1.00 8.59 ? 387 ILE A CA 1 ATOM 3639 C C . ILE A 1 386 ? 44.492 37.147 10.054 1.00 10.57 ? 387 ILE A C 1 ATOM 3640 O O . ILE A 1 386 ? 43.693 37.531 9.199 1.00 11.65 ? 387 ILE A O 1 ATOM 3641 C CB . ILE A 1 386 ? 46.708 36.109 9.359 1.00 8.34 ? 387 ILE A CB 1 ATOM 3642 C CG1 . ILE A 1 386 ? 48.099 36.498 8.866 1.00 6.68 ? 387 ILE A CG1 1 ATOM 3643 C CG2 . ILE A 1 386 ? 45.912 35.446 8.251 1.00 10.46 ? 387 ILE A CG2 1 ATOM 3644 C CD1 . ILE A 1 386 ? 49.017 35.315 8.633 1.00 7.85 ? 387 ILE A CD1 1 ATOM 3645 H H . ILE A 1 386 ? 47.243 37.204 11.570 1.00 8.86 ? 387 ILE A H 1 ATOM 3646 N N . VAL A 1 387 ? 44.098 36.595 11.197 1.00 9.89 ? 388 VAL A N 1 ATOM 3647 C CA . VAL A 1 387 ? 42.687 36.376 11.479 1.00 11.52 ? 388 VAL A CA 1 ATOM 3648 C C . VAL A 1 387 ? 42.003 37.731 11.630 1.00 13.21 ? 388 VAL A C 1 ATOM 3649 O O . VAL A 1 387 ? 40.971 37.986 11.007 1.00 13.91 ? 388 VAL A O 1 ATOM 3650 C CB . VAL A 1 387 ? 42.497 35.517 12.761 1.00 12.59 ? 388 VAL A CB 1 ATOM 3651 C CG1 . VAL A 1 387 ? 41.085 35.660 13.312 1.00 11.10 ? 388 VAL A CG1 1 ATOM 3652 C CG2 . VAL A 1 387 ? 42.786 34.048 12.446 1.00 11.23 ? 388 VAL A CG2 1 ATOM 3653 H H . VAL A 1 387 ? 44.764 36.325 11.859 1.00 9.89 ? 388 VAL A H 1 ATOM 3654 N N . GLU A 1 388 ? 42.600 38.614 12.423 1.00 13.81 ? 389 GLU A N 1 ATOM 3655 C CA . GLU A 1 388 ? 42.048 39.948 12.632 1.00 14.67 ? 389 GLU A CA 1 ATOM 3656 C C . GLU A 1 388 ? 41.820 40.669 11.304 1.00 14.35 ? 389 GLU A C 1 ATOM 3657 O O . GLU A 1 388 ? 40.792 41.322 11.112 1.00 14.96 ? 389 GLU A O 1 ATOM 3658 C CB . GLU A 1 388 ? 42.988 40.792 13.493 1.00 17.88 ? 389 GLU A CB 1 ATOM 3659 C CG . GLU A 1 388 ? 42.632 42.292 13.488 1.00 20.08 ? 389 GLU A CG 1 ATOM 3660 C CD . GLU A 1 388 ? 43.554 43.148 14.340 1.00 25.82 ? 389 GLU A CD 1 ATOM 3661 O OE1 . GLU A 1 388 ? 44.606 42.645 14.793 1.00 27.35 ? 389 GLU A OE1 1 ATOM 3662 O OE2 . GLU A 1 388 ? 43.217 44.335 14.564 1.00 29.48 ? 389 GLU A OE2 1 ATOM 3663 H H . GLU A 1 388 ? 43.411 38.360 12.906 1.00 13.81 ? 389 GLU A H 1 ATOM 3664 N N . THR A 1 389 ? 42.794 40.551 10.408 1.00 12.34 ? 390 THR A N 1 ATOM 3665 C CA . THR A 1 389 ? 42.757 41.179 9.088 1.00 13.08 ? 390 THR A CA 1 ATOM 3666 C C . THR A 1 389 ? 41.601 40.699 8.206 1.00 13.36 ? 390 THR A C 1 ATOM 3667 O O . THR A 1 389 ? 41.082 41.458 7.383 1.00 12.60 ? 390 THR A O 1 ATOM 3668 C CB . THR A 1 389 ? 44.089 40.905 8.319 1.00 16.18 ? 390 THR A CB 1 ATOM 3669 O OG1 . THR A 1 389 ? 45.189 41.502 9.023 1.00 20.03 ? 390 THR A OG1 1 ATOM 3670 C CG2 . THR A 1 389 ? 44.037 41.449 6.887 1.00 15.68 ? 390 THR A CG2 1 ATOM 3671 H H . THR A 1 389 ? 43.576 40.020 10.653 1.00 12.34 ? 390 THR A H 1 ATOM 3672 H HG1 . THR A 1 389 ? 45.257 41.137 9.917 1.00 20.03 ? 390 THR A HG1 1 ATOM 3673 N N . HIS A 1 390 ? 41.202 39.439 8.355 1.00 12.64 ? 391 HIS A N 1 ATOM 3674 C CA . HIS A 1 390 ? 40.140 38.913 7.513 1.00 12.00 ? 391 HIS A CA 1 ATOM 3675 C C . HIS A 1 390 ? 38.783 38.702 8.153 1.00 12.03 ? 391 HIS A C 1 ATOM 3676 O O . HIS A 1 390 ? 37.863 38.242 7.484 1.00 12.45 ? 391 HIS A O 1 ATOM 3677 C CB . HIS A 1 390 ? 40.616 37.661 6.788 1.00 13.64 ? 391 HIS A CB 1 ATOM 3678 C CG . HIS A 1 390 ? 41.862 37.886 5.992 1.00 16.37 ? 391 HIS A CG 1 ATOM 3679 N ND1 . HIS A 1 390 ? 41.885 38.647 4.848 1.00 18.81 ? 391 HIS A ND1 1 ATOM 3680 C CD2 . HIS A 1 390 ? 43.140 37.495 6.209 1.00 15.55 ? 391 HIS A CD2 1 ATOM 3681 C CE1 . HIS A 1 390 ? 43.123 38.720 4.388 1.00 17.70 ? 391 HIS A CE1 1 ATOM 3682 N NE2 . HIS A 1 390 ? 43.901 38.028 5.201 1.00 18.58 ? 391 HIS A NE2 1 ATOM 3683 H H . HIS A 1 390 ? 41.600 38.868 9.053 1.00 12.64 ? 391 HIS A H 1 ATOM 3684 H HD1 . HIS A 1 390 ? 41.111 39.096 4.424 1.00 18.81 ? 391 HIS A HD1 1 ATOM 3685 H HE2 . HIS A 1 390 ? 44.876 37.915 5.090 1.00 18.58 ? 391 HIS A HE2 1 ATOM 3686 N N . ALA A 1 391 ? 38.660 39.012 9.440 1.00 11.72 ? 392 ALA A N 1 ATOM 3687 C CA . ALA A 1 391 ? 37.379 38.898 10.130 1.00 13.22 ? 392 ALA A CA 1 ATOM 3688 C C . ALA A 1 391 ? 36.516 40.027 9.573 1.00 13.39 ? 392 ALA A C 1 ATOM 3689 O O . ALA A 1 391 ? 37.046 40.981 8.997 1.00 13.68 ? 392 ALA A O 1 ATOM 3690 C CB . ALA A 1 391 ? 37.566 39.086 11.634 1.00 11.82 ? 392 ALA A CB 1 ATOM 3691 H H . ALA A 1 391 ? 39.437 39.327 9.949 1.00 11.72 ? 392 ALA A H 1 ATOM 3692 N N . ALA A 1 392 ? 35.200 39.913 9.697 1.00 12.70 ? 393 ALA A N 1 ATOM 3693 C CA . ALA A 1 392 ? 34.313 40.967 9.215 1.00 12.47 ? 393 ALA A CA 1 ATOM 3694 C C . ALA A 1 392 ? 34.451 42.158 10.166 1.00 14.57 ? 393 ALA A C 1 ATOM 3695 O O . ALA A 1 392 ? 34.862 41.991 11.323 1.00 14.11 ? 393 ALA A O 1 ATOM 3696 C CB . ALA A 1 392 ? 32.881 40.483 9.180 1.00 9.51 ? 393 ALA A CB 1 ATOM 3697 H H . ALA A 1 392 ? 34.838 39.083 10.091 1.00 12.70 ? 393 ALA A H 1 ATOM 3698 N N . SER A 1 393 ? 34.076 43.347 9.695 1.00 15.35 ? 394 SER A N 1 ATOM 3699 C CA . SER A 1 393 ? 34.178 44.562 10.498 1.00 16.62 ? 394 SER A CA 1 ATOM 3700 C C . SER A 1 393 ? 33.474 44.482 11.837 1.00 15.86 ? 394 SER A C 1 ATOM 3701 O O . SER A 1 393 ? 33.894 45.127 12.792 1.00 17.75 ? 394 SER A O 1 ATOM 3702 C CB . SER A 1 393 ? 33.709 45.811 9.719 1.00 20.88 ? 394 SER A CB 1 ATOM 3703 O OG . SER A 1 393 ? 32.425 45.651 9.126 1.00 26.67 ? 394 SER A OG 1 ATOM 3704 H H . SER A 1 393 ? 33.729 43.420 8.776 1.00 15.35 ? 394 SER A H 1 ATOM 3705 H HG . SER A 1 393 ? 32.246 46.485 8.670 1.00 26.67 ? 394 SER A HG 1 ATOM 3706 N N . ASN A 1 394 ? 32.398 43.713 11.923 1.00 13.12 ? 395 ASN A N 1 ATOM 3707 C CA . ASN A 1 394 ? 31.717 43.606 13.203 1.00 11.50 ? 395 ASN A CA 1 ATOM 3708 C C . ASN A 1 394 ? 32.217 42.416 14.030 1.00 11.57 ? 395 ASN A C 1 ATOM 3709 O O . ASN A 1 394 ? 31.646 42.082 15.068 1.00 12.57 ? 395 ASN A O 1 ATOM 3710 C CB . ASN A 1 394 ? 30.209 43.542 13.002 1.00 12.99 ? 395 ASN A CB 1 ATOM 3711 C CG . ASN A 1 394 ? 29.771 42.306 12.260 1.00 13.50 ? 395 ASN A CG 1 ATOM 3712 O OD1 . ASN A 1 394 ? 30.591 41.514 11.769 1.00 10.94 ? 395 ASN A OD1 1 ATOM 3713 N ND2 . ASN A 1 394 ? 28.461 42.121 12.210 1.00 13.97 ? 395 ASN A ND2 1 ATOM 3714 H H . ASN A 1 394 ? 32.064 43.212 11.145 1.00 13.12 ? 395 ASN A H 1 ATOM 3715 H HD21 . ASN A 1 394 ? 27.869 42.709 12.735 1.00 13.97 ? 395 ASN A HD21 1 ATOM 3716 N N . GLY A 1 395 ? 33.265 41.760 13.548 1.00 11.20 ? 396 GLY A N 1 ATOM 3717 C CA . GLY A 1 395 ? 33.818 40.633 14.267 1.00 12.06 ? 396 GLY A CA 1 ATOM 3718 C C . GLY A 1 395 ? 33.380 39.249 13.818 1.00 12.39 ? 396 GLY A C 1 ATOM 3719 O O . GLY A 1 395 ? 33.869 38.255 14.348 1.00 11.20 ? 396 GLY A O 1 ATOM 3720 H H . GLY A 1 395 ? 33.679 42.038 12.716 1.00 11.20 ? 396 GLY A H 1 ATOM 3721 N N . SER A 1 396 ? 32.455 39.160 12.866 1.00 12.09 ? 397 SER A N 1 ATOM 3722 C CA . SER A 1 396 ? 32.007 37.851 12.406 1.00 10.93 ? 397 SER A CA 1 ATOM 3723 C C . SER A 1 396 ? 33.119 36.991 11.842 1.00 10.13 ? 397 SER A C 1 ATOM 3724 O O . SER A 1 396 ? 33.980 37.479 11.114 1.00 7.90 ? 397 SER A O 1 ATOM 3725 C CB . SER A 1 396 ? 30.901 37.975 11.376 1.00 11.44 ? 397 SER A CB 1 ATOM 3726 O OG . SER A 1 396 ? 29.673 38.066 12.047 1.00 14.15 ? 397 SER A OG 1 ATOM 3727 H H . SER A 1 396 ? 32.057 39.958 12.460 1.00 12.09 ? 397 SER A H 1 ATOM 3728 H HG . SER A 1 396 ? 29.627 37.221 12.508 1.00 14.15 ? 397 SER A HG 1 ATOM 3729 N N . LEU A 1 397 ? 33.103 35.716 12.222 1.00 9.35 ? 398 LEU A N 1 ATOM 3730 C CA . LEU A 1 397 ? 34.082 34.750 11.757 1.00 8.93 ? 398 LEU A CA 1 ATOM 3731 C C . LEU A 1 397 ? 33.335 33.616 11.084 1.00 8.35 ? 398 LEU A C 1 ATOM 3732 O O . LEU A 1 397 ? 32.497 32.955 11.698 1.00 9.58 ? 398 LEU A O 1 ATOM 3733 C CB . LEU A 1 397 ? 34.892 34.176 12.927 1.00 7.64 ? 398 LEU A CB 1 ATOM 3734 C CG . LEU A 1 397 ? 35.776 35.102 13.765 1.00 7.40 ? 398 LEU A CG 1 ATOM 3735 C CD1 . LEU A 1 397 ? 36.428 34.299 14.907 1.00 6.51 ? 398 LEU A CD1 1 ATOM 3736 C CD2 . LEU A 1 397 ? 36.834 35.741 12.867 1.00 7.85 ? 398 LEU A CD2 1 ATOM 3737 H H . LEU A 1 397 ? 32.396 35.381 12.806 1.00 9.35 ? 398 LEU A H 1 ATOM 3738 N N . SER A 1 398 ? 33.617 33.414 9.810 1.00 7.52 ? 399 SER A N 1 ATOM 3739 C CA . SER A 1 398 ? 32.999 32.340 9.053 1.00 8.67 ? 399 SER A CA 1 ATOM 3740 C C . SER A 1 398 ? 33.894 31.099 9.200 1.00 7.90 ? 399 SER A C 1 ATOM 3741 O O . SER A 1 398 ? 34.798 31.060 10.039 1.00 6.52 ? 399 SER A O 1 ATOM 3742 C CB . SER A 1 398 ? 32.921 32.751 7.583 1.00 8.55 ? 399 SER A CB 1 ATOM 3743 O OG . SER A 1 398 ? 34.229 32.961 7.096 1.00 12.37 ? 399 SER A OG 1 ATOM 3744 H H . SER A 1 398 ? 34.265 33.979 9.336 1.00 7.52 ? 399 SER A H 1 ATOM 3745 H HG . SER A 1 398 ? 34.236 33.075 6.142 1.00 12.37 ? 399 SER A HG 1 ATOM 3746 N N . GLU A 1 399 ? 33.638 30.083 8.391 1.00 8.70 ? 400 GLU A N 1 ATOM 3747 C CA . GLU A 1 399 ? 34.444 28.878 8.434 1.00 6.95 ? 400 GLU A CA 1 ATOM 3748 C C . GLU A 1 399 ? 35.789 29.086 7.730 1.00 8.24 ? 400 GLU A C 1 ATOM 3749 O O . GLU A 1 399 ? 36.852 28.750 8.270 1.00 5.41 ? 400 GLU A O 1 ATOM 3750 C CB . GLU A 1 399 ? 33.696 27.726 7.778 1.00 6.40 ? 400 GLU A CB 1 ATOM 3751 C CG . GLU A 1 399 ? 34.496 26.429 7.753 1.00 6.57 ? 400 GLU A CG 1 ATOM 3752 C CD . GLU A 1 399 ? 33.807 25.336 6.967 1.00 8.15 ? 400 GLU A CD 1 ATOM 3753 O OE1 . GLU A 1 399 ? 33.849 25.382 5.722 1.00 8.11 ? 400 GLU A OE1 1 ATOM 3754 O OE2 . GLU A 1 399 ? 33.241 24.424 7.595 1.00 6.24 ? 400 GLU A OE2 1 ATOM 3755 H H . GLU A 1 399 ? 32.880 30.140 7.770 1.00 8.70 ? 400 GLU A H 1 ATOM 3756 N N . GLN A 1 400 ? 35.741 29.696 6.548 1.00 6.51 ? 401 GLN A N 1 ATOM 3757 C CA . GLN A 1 400 ? 36.941 29.901 5.750 1.00 7.65 ? 401 GLN A CA 1 ATOM 3758 C C . GLN A 1 400 ? 37.104 31.336 5.251 1.00 7.53 ? 401 GLN A C 1 ATOM 3759 O O . GLN A 1 400 ? 36.169 32.143 5.310 1.00 7.88 ? 401 GLN A O 1 ATOM 3760 C CB . GLN A 1 400 ? 36.876 28.997 4.509 1.00 6.88 ? 401 GLN A CB 1 ATOM 3761 C CG . GLN A 1 400 ? 36.515 27.539 4.754 1.00 8.35 ? 401 GLN A CG 1 ATOM 3762 C CD . GLN A 1 400 ? 36.462 26.722 3.472 1.00 9.13 ? 401 GLN A CD 1 ATOM 3763 O OE1 . GLN A 1 400 ? 37.107 27.056 2.475 1.00 9.29 ? 401 GLN A OE1 1 ATOM 3764 N NE2 . GLN A 1 400 ? 35.689 25.642 3.492 1.00 6.60 ? 401 GLN A NE2 1 ATOM 3765 H H . GLN A 1 400 ? 34.890 30.055 6.203 1.00 6.51 ? 401 GLN A H 1 ATOM 3766 H HE21 . GLN A 1 400 ? 35.593 25.120 2.678 1.00 6.60 ? 401 GLN A HE21 1 ATOM 3767 H HE22 . GLN A 1 400 ? 35.245 25.434 4.336 1.00 6.60 ? 401 GLN A HE22 1 ATOM 3768 N N . PHE A 1 401 ? 38.307 31.655 4.786 1.00 7.69 ? 402 PHE A N 1 ATOM 3769 C CA . PHE A 1 401 ? 38.576 32.959 4.157 1.00 7.95 ? 402 PHE A CA 1 ATOM 3770 C C . PHE A 1 401 ? 39.359 32.638 2.897 1.00 7.38 ? 402 PHE A C 1 ATOM 3771 O O . PHE A 1 401 ? 40.152 31.711 2.861 1.00 7.41 ? 402 PHE A O 1 ATOM 3772 C CB . PHE A 1 401 ? 39.227 34.030 5.058 1.00 6.41 ? 402 PHE A CB 1 ATOM 3773 C CG . PHE A 1 401 ? 40.476 33.600 5.771 1.00 6.29 ? 402 PHE A CG 1 ATOM 3774 C CD1 . PHE A 1 401 ? 40.407 32.786 6.898 1.00 6.04 ? 402 PHE A CD1 1 ATOM 3775 C CD2 . PHE A 1 401 ? 41.718 34.081 5.364 1.00 8.20 ? 402 PHE A CD2 1 ATOM 3776 C CE1 . PHE A 1 401 ? 41.553 32.455 7.620 1.00 8.86 ? 402 PHE A CE1 1 ATOM 3777 C CE2 . PHE A 1 401 ? 42.879 33.762 6.075 1.00 10.08 ? 402 PHE A CE2 1 ATOM 3778 C CZ . PHE A 1 401 ? 42.796 32.946 7.211 1.00 12.39 ? 402 PHE A CZ 1 ATOM 3779 H H . PHE A 1 401 ? 39.041 31.003 4.828 1.00 7.69 ? 402 PHE A H 1 ATOM 3780 N N . ASP A 1 402 ? 39.019 33.341 1.832 1.00 8.40 ? 403 ASP A N 1 ATOM 3781 C CA . ASP A 1 402 ? 39.566 33.096 0.529 1.00 8.86 ? 403 ASP A CA 1 ATOM 3782 C C . ASP A 1 402 ? 41.070 33.061 0.403 1.00 10.30 ? 403 ASP A C 1 ATOM 3783 O O . ASP A 1 402 ? 41.755 33.972 0.838 1.00 10.67 ? 403 ASP A O 1 ATOM 3784 C CB . ASP A 1 402 ? 38.963 34.081 -0.451 1.00 11.97 ? 403 ASP A CB 1 ATOM 3785 C CG . ASP A 1 402 ? 39.200 33.680 -1.877 1.00 14.29 ? 403 ASP A CG 1 ATOM 3786 O OD1 . ASP A 1 402 ? 38.389 32.913 -2.423 1.00 16.72 ? 403 ASP A OD1 1 ATOM 3787 O OD2 . ASP A 1 402 ? 40.218 34.104 -2.445 1.00 16.62 ? 403 ASP A OD2 1 ATOM 3788 H H . ASP A 1 402 ? 38.385 34.067 1.929 1.00 8.40 ? 403 ASP A H 1 ATOM 3789 N N . LYS A 1 403 ? 41.554 32.021 -0.270 1.00 11.79 ? 404 LYS A N 1 ATOM 3790 C CA . LYS A 1 403 ? 42.980 31.772 -0.500 1.00 13.84 ? 404 LYS A CA 1 ATOM 3791 C C . LYS A 1 403 ? 43.682 32.878 -1.290 1.00 15.84 ? 404 LYS A C 1 ATOM 3792 O O . LYS A 1 403 ? 44.901 33.019 -1.207 1.00 15.60 ? 404 LYS A O 1 ATOM 3793 C CB . LYS A 1 403 ? 43.142 30.446 -1.243 1.00 12.49 ? 404 LYS A CB 1 ATOM 3794 C CG . LYS A 1 403 ? 42.465 30.449 -2.606 1.00 13.77 ? 404 LYS A CG 1 ATOM 3795 C CD . LYS A 1 403 ? 42.211 29.044 -3.108 1.00 15.11 ? 404 LYS A CD 1 ATOM 3796 C CE . LYS A 1 403 ? 43.494 28.274 -3.245 1.00 16.75 ? 404 LYS A CE 1 ATOM 3797 N NZ . LYS A 1 403 ? 43.195 26.847 -3.504 1.00 21.53 ? 404 LYS A NZ 1 ATOM 3798 H H . LYS A 1 403 ? 40.893 31.376 -0.621 1.00 11.79 ? 404 LYS A H 1 ATOM 3799 H HZ1 . LYS A 1 403 ? 42.625 26.731 -4.357 1.00 21.53 ? 404 LYS A HZ1 1 ATOM 3800 H HZ2 . LYS A 1 403 ? 44.084 26.313 -3.575 1.00 21.53 ? 404 LYS A HZ2 1 ATOM 3801 H HZ3 . LYS A 1 403 ? 42.660 26.483 -2.685 1.00 21.53 ? 404 LYS A HZ3 1 ATOM 3802 N N . SER A 1 404 ? 42.915 33.632 -2.072 1.00 15.38 ? 405 SER A N 1 ATOM 3803 C CA . SER A 1 404 ? 43.454 34.716 -2.883 1.00 19.61 ? 405 SER A CA 1 ATOM 3804 C C . SER A 1 404 ? 43.156 36.122 -2.356 1.00 21.16 ? 405 SER A C 1 ATOM 3805 O O . SER A 1 404 ? 44.071 36.940 -2.243 1.00 23.61 ? 405 SER A O 1 ATOM 3806 C CB . SER A 1 404 ? 42.962 34.593 -4.327 1.00 18.77 ? 405 SER A CB 1 ATOM 3807 O OG . SER A 1 404 ? 43.386 33.367 -4.904 1.00 24.42 ? 405 SER A OG 1 ATOM 3808 H H . SER A 1 404 ? 41.969 33.425 -2.105 1.00 15.38 ? 405 SER A H 1 ATOM 3809 H HG . SER A 1 404 ? 42.613 32.930 -5.296 1.00 24.42 ? 405 SER A HG 1 ATOM 3810 N N . ASP A 1 405 ? 41.891 36.412 -2.044 1.00 21.10 ? 406 ASP A N 1 ATOM 3811 C CA . ASP A 1 405 ? 41.522 37.736 -1.557 1.00 20.33 ? 406 ASP A CA 1 ATOM 3812 C C . ASP A 1 405 ? 41.149 37.817 -0.085 1.00 19.90 ? 406 ASP A C 1 ATOM 3813 O O . ASP A 1 405 ? 40.869 38.901 0.421 1.00 20.03 ? 406 ASP A O 1 ATOM 3814 C CB . ASP A 1 405 ? 40.423 38.355 -2.425 1.00 23.51 ? 406 ASP A CB 1 ATOM 3815 C CG . ASP A 1 405 ? 39.135 37.551 -2.412 1.00 28.92 ? 406 ASP A CG 1 ATOM 3816 O OD1 . ASP A 1 405 ? 38.842 36.903 -1.394 1.00 30.63 ? 406 ASP A OD1 1 ATOM 3817 O OD2 . ASP A 1 405 ? 38.401 37.574 -3.424 1.00 32.55 ? 406 ASP A OD2 1 ATOM 3818 H H . ASP A 1 405 ? 41.165 35.768 -2.153 1.00 21.10 ? 406 ASP A H 1 ATOM 3819 N N . GLY A 1 406 ? 41.104 36.674 0.591 1.00 17.81 ? 407 GLY A N 1 ATOM 3820 C CA . GLY A 1 406 ? 40.800 36.669 2.008 1.00 14.34 ? 407 GLY A CA 1 ATOM 3821 C C . GLY A 1 406 ? 39.380 36.979 2.418 1.00 13.68 ? 407 GLY A C 1 ATOM 3822 O O . GLY A 1 406 ? 39.120 37.210 3.602 1.00 12.98 ? 407 GLY A O 1 ATOM 3823 H H . GLY A 1 406 ? 41.251 35.826 0.125 1.00 17.81 ? 407 GLY A H 1 ATOM 3824 N N . ASP A 1 407 ? 38.453 36.988 1.470 1.00 12.57 ? 408 ASP A N 1 ATOM 3825 C CA . ASP A 1 407 ? 37.053 37.254 1.804 1.00 13.80 ? 408 ASP A CA 1 ATOM 3826 C C . ASP A 1 407 ? 36.480 36.046 2.525 1.00 11.14 ? 408 ASP A C 1 ATOM 3827 O O . ASP A 1 407 ? 36.859 34.919 2.240 1.00 11.21 ? 408 ASP A O 1 ATOM 3828 C CB . ASP A 1 407 ? 36.224 37.504 0.542 1.00 17.20 ? 408 ASP A CB 1 ATOM 3829 C CG . ASP A 1 407 ? 36.512 38.869 -0.108 1.00 24.06 ? 408 ASP A CG 1 ATOM 3830 O OD1 . ASP A 1 407 ? 37.133 39.765 0.523 1.00 27.05 ? 408 ASP A OD1 1 ATOM 3831 O OD2 . ASP A 1 407 ? 36.092 39.045 -1.268 1.00 29.35 ? 408 ASP A OD2 1 ATOM 3832 H H . ASP A 1 407 ? 38.683 36.833 0.535 1.00 12.57 ? 408 ASP A H 1 ATOM 3833 N N . GLU A 1 408 ? 35.561 36.268 3.448 1.00 10.02 ? 409 GLU A N 1 ATOM 3834 C CA . GLU A 1 408 ? 34.958 35.151 4.166 1.00 10.36 ? 409 GLU A CA 1 ATOM 3835 C C . GLU A 1 408 ? 34.093 34.297 3.251 1.00 11.51 ? 409 GLU A C 1 ATOM 3836 O O . GLU A 1 408 ? 33.435 34.823 2.346 1.00 12.48 ? 409 GLU A O 1 ATOM 3837 C CB . GLU A 1 408 ? 34.136 35.662 5.341 1.00 8.18 ? 409 GLU A CB 1 ATOM 3838 C CG . GLU A 1 408 ? 35.013 36.174 6.460 1.00 12.23 ? 409 GLU A CG 1 ATOM 3839 C CD . GLU A 1 408 ? 34.245 36.530 7.704 1.00 12.45 ? 409 GLU A CD 1 ATOM 3840 O OE1 . GLU A 1 408 ? 33.014 36.693 7.627 1.00 16.55 ? 409 GLU A OE1 1 ATOM 3841 O OE2 . GLU A 1 408 ? 34.874 36.630 8.771 1.00 13.99 ? 409 GLU A OE2 1 ATOM 3842 H H . GLU A 1 408 ? 35.286 37.181 3.678 1.00 10.02 ? 409 GLU A H 1 ATOM 3843 N N . LEU A 1 409 ? 34.164 32.981 3.421 1.00 11.67 ? 410 LEU A N 1 ATOM 3844 C CA . LEU A 1 409 ? 33.348 32.075 2.626 1.00 11.72 ? 410 LEU A CA 1 ATOM 3845 C C . LEU A 1 409 ? 32.922 30.856 3.430 1.00 11.74 ? 410 LEU A C 1 ATOM 3846 O O . LEU A 1 409 ? 33.389 30.655 4.564 1.00 12.51 ? 410 LEU A O 1 ATOM 3847 C CB . LEU A 1 409 ? 34.020 31.678 1.303 1.00 12.96 ? 410 LEU A CB 1 ATOM 3848 C CG . LEU A 1 409 ? 35.296 30.860 1.180 1.00 14.87 ? 410 LEU A CG 1 ATOM 3849 C CD1 . LEU A 1 409 ? 35.432 30.367 -0.245 1.00 15.96 ? 410 LEU A CD1 1 ATOM 3850 C CD2 . LEU A 1 409 ? 36.469 31.710 1.515 1.00 18.31 ? 410 LEU A CD2 1 ATOM 3851 H H . LEU A 1 409 ? 34.754 32.593 4.096 1.00 11.67 ? 410 LEU A H 1 ATOM 3852 N N . SER A 1 410 ? 32.053 30.048 2.825 1.00 10.33 ? 411 SER A N 1 ATOM 3853 C CA . SER A 1 410 ? 31.469 28.862 3.437 1.00 9.95 ? 411 SER A CA 1 ATOM 3854 C C . SER A 1 410 ? 30.546 29.312 4.587 1.00 10.69 ? 411 SER A C 1 ATOM 3855 O O . SER A 1 410 ? 30.083 30.455 4.584 1.00 9.79 ? 411 SER A O 1 ATOM 3856 C CB . SER A 1 410 ? 32.534 27.860 3.886 1.00 9.00 ? 411 SER A CB 1 ATOM 3857 O OG . SER A 1 410 ? 31.916 26.646 4.284 1.00 6.96 ? 411 SER A OG 1 ATOM 3858 H H . SER A 1 410 ? 31.749 30.264 1.910 1.00 10.33 ? 411 SER A H 1 ATOM 3859 H HG . SER A 1 410 ? 32.597 25.994 4.465 1.00 6.96 ? 411 SER A HG 1 ATOM 3860 N N . ALA A 1 411 ? 30.274 28.437 5.553 1.00 8.85 ? 412 ALA A N 1 ATOM 3861 C CA . ALA A 1 411 ? 29.353 28.758 6.653 1.00 8.25 ? 412 ALA A CA 1 ATOM 3862 C C . ALA A 1 411 ? 29.674 30.031 7.413 1.00 8.23 ? 412 ALA A C 1 ATOM 3863 O O . ALA A 1 411 ? 30.782 30.187 7.908 1.00 8.29 ? 412 ALA A O 1 ATOM 3864 C CB . ALA A 1 411 ? 29.260 27.582 7.628 1.00 6.26 ? 412 ALA A CB 1 ATOM 3865 H H . ALA A 1 411 ? 30.701 27.560 5.539 1.00 8.85 ? 412 ALA A H 1 ATOM 3866 N N . ARG A 1 412 ? 28.704 30.935 7.517 1.00 6.23 ? 413 ARG A N 1 ATOM 3867 C CA . ARG A 1 412 ? 28.916 32.186 8.247 1.00 7.34 ? 413 ARG A CA 1 ATOM 3868 C C . ARG A 1 412 ? 28.767 31.930 9.747 1.00 6.25 ? 413 ARG A C 1 ATOM 3869 O O . ARG A 1 412 ? 28.196 30.913 10.155 1.00 4.50 ? 413 ARG A O 1 ATOM 3870 C CB . ARG A 1 412 ? 27.905 33.259 7.813 1.00 8.07 ? 413 ARG A CB 1 ATOM 3871 C CG . ARG A 1 412 ? 26.473 32.965 8.236 1.00 9.03 ? 413 ARG A CG 1 ATOM 3872 C CD . ARG A 1 412 ? 25.497 34.016 7.721 1.00 11.19 ? 413 ARG A CD 1 ATOM 3873 N NE . ARG A 1 412 ? 24.111 33.686 8.050 1.00 9.27 ? 413 ARG A NE 1 ATOM 3874 C CZ . ARG A 1 412 ? 23.300 32.953 7.285 1.00 10.69 ? 413 ARG A CZ 1 ATOM 3875 N NH1 . ARG A 1 412 ? 23.715 32.456 6.124 1.00 10.44 ? 413 ARG A NH1 1 ATOM 3876 N NH2 . ARG A 1 412 ? 22.071 32.682 7.704 1.00 11.19 ? 413 ARG A NH2 1 ATOM 3877 H H . ARG A 1 412 ? 27.845 30.769 7.067 1.00 6.23 ? 413 ARG A H 1 ATOM 3878 H HE . ARG A 1 412 ? 23.769 34.032 8.903 1.00 9.27 ? 413 ARG A HE 1 ATOM 3879 H HH11 . ARG A 1 412 ? 24.645 32.623 5.783 1.00 10.44 ? 413 ARG A HH11 1 ATOM 3880 H HH12 . ARG A 1 412 ? 23.085 31.903 5.565 1.00 10.44 ? 413 ARG A HH12 1 ATOM 3881 H HH21 . ARG A 1 412 ? 21.765 33.026 8.597 1.00 11.19 ? 413 ARG A HH21 1 ATOM 3882 H HH22 . ARG A 1 412 ? 21.429 32.123 7.166 1.00 11.19 ? 413 ARG A HH22 1 ATOM 3883 N N . ASP A 1 413 ? 29.344 32.819 10.549 1.00 6.17 ? 414 ASP A N 1 ATOM 3884 C CA . ASP A 1 413 ? 29.259 32.746 12.006 1.00 8.29 ? 414 ASP A CA 1 ATOM 3885 C C . ASP A 1 413 ? 29.388 31.327 12.561 1.00 7.69 ? 414 ASP A C 1 ATOM 3886 O O . ASP A 1 413 ? 28.513 30.854 13.286 1.00 8.40 ? 414 ASP A O 1 ATOM 3887 C CB . ASP A 1 413 ? 27.944 33.378 12.470 1.00 8.65 ? 414 ASP A CB 1 ATOM 3888 C CG . ASP A 1 413 ? 27.886 34.876 12.210 1.00 10.36 ? 414 ASP A CG 1 ATOM 3889 O OD1 . ASP A 1 413 ? 28.784 35.592 12.670 1.00 12.38 ? 414 ASP A OD1 1 ATOM 3890 O OD2 . ASP A 1 413 ? 26.937 35.350 11.557 1.00 10.60 ? 414 ASP A OD2 1 ATOM 3891 H H . ASP A 1 413 ? 29.861 33.562 10.160 1.00 6.17 ? 414 ASP A H 1 ATOM 3892 N N . LEU A 1 414 ? 30.482 30.654 12.210 1.00 6.71 ? 415 LEU A N 1 ATOM 3893 C CA . LEU A 1 414 ? 30.720 29.283 12.650 1.00 5.41 ? 415 LEU A CA 1 ATOM 3894 C C . LEU A 1 414 ? 31.037 29.273 14.143 1.00 4.52 ? 415 LEU A C 1 ATOM 3895 O O . LEU A 1 414 ? 32.018 29.880 14.573 1.00 3.50 ? 415 LEU A O 1 ATOM 3896 C CB . LEU A 1 414 ? 31.877 28.673 11.857 1.00 3.00 ? 415 LEU A CB 1 ATOM 3897 C CG . LEU A 1 414 ? 32.123 27.177 12.050 1.00 7.25 ? 415 LEU A CG 1 ATOM 3898 C CD1 . LEU A 1 414 ? 31.098 26.384 11.256 1.00 3.00 ? 415 LEU A CD1 1 ATOM 3899 C CD2 . LEU A 1 414 ? 33.538 26.815 11.598 1.00 5.80 ? 415 LEU A CD2 1 ATOM 3900 H H . LEU A 1 414 ? 31.143 31.137 11.676 1.00 6.71 ? 415 LEU A H 1 ATOM 3901 N N . THR A 1 415 ? 30.209 28.589 14.930 1.00 5.51 ? 416 THR A N 1 ATOM 3902 C CA . THR A 1 415 ? 30.409 28.503 16.378 1.00 4.12 ? 416 THR A CA 1 ATOM 3903 C C . THR A 1 415 ? 31.818 28.029 16.751 1.00 3.68 ? 416 THR A C 1 ATOM 3904 O O . THR A 1 415 ? 32.434 28.577 17.660 1.00 4.22 ? 416 THR A O 1 ATOM 3905 C CB . THR A 1 415 ? 29.364 27.577 17.028 1.00 4.67 ? 416 THR A CB 1 ATOM 3906 O OG1 . THR A 1 415 ? 28.089 27.830 16.428 1.00 5.13 ? 416 THR A OG1 1 ATOM 3907 C CG2 . THR A 1 415 ? 29.257 27.855 18.518 1.00 3.00 ? 416 THR A CG2 1 ATOM 3908 H H . THR A 1 415 ? 29.412 28.148 14.560 1.00 5.51 ? 416 THR A H 1 ATOM 3909 H HG1 . THR A 1 415 ? 27.847 28.768 16.440 1.00 5.13 ? 416 THR A HG1 1 ATOM 3910 N N . TRP A 1 416 ? 32.337 27.030 16.045 1.00 3.79 ? 417 TRP A N 1 ATOM 3911 C CA . TRP A 1 416 ? 33.677 26.528 16.331 1.00 4.99 ? 417 TRP A CA 1 ATOM 3912 C C . TRP A 1 416 ? 34.721 27.636 16.111 1.00 5.73 ? 417 TRP A C 1 ATOM 3913 O O . TRP A 1 416 ? 35.647 27.763 16.915 1.00 5.81 ? 417 TRP A O 1 ATOM 3914 C CB . TRP A 1 416 ? 33.957 25.283 15.487 1.00 4.25 ? 417 TRP A CB 1 ATOM 3915 C CG . TRP A 1 416 ? 35.198 24.491 15.839 1.00 5.07 ? 417 TRP A CG 1 ATOM 3916 C CD1 . TRP A 1 416 ? 36.166 24.805 16.772 1.00 3.34 ? 417 TRP A CD1 1 ATOM 3917 C CD2 . TRP A 1 416 ? 35.648 23.291 15.186 1.00 3.00 ? 417 TRP A CD2 1 ATOM 3918 N NE1 . TRP A 1 416 ? 37.186 23.879 16.717 1.00 5.84 ? 417 TRP A NE1 1 ATOM 3919 C CE2 . TRP A 1 416 ? 36.895 22.945 15.752 1.00 3.24 ? 417 TRP A CE2 1 ATOM 3920 C CE3 . TRP A 1 416 ? 35.116 22.484 14.164 1.00 4.45 ? 417 TRP A CE3 1 ATOM 3921 C CZ2 . TRP A 1 416 ? 37.625 21.823 15.329 1.00 3.81 ? 417 TRP A CZ2 1 ATOM 3922 C CZ3 . TRP A 1 416 ? 35.841 21.363 13.739 1.00 3.08 ? 417 TRP A CZ3 1 ATOM 3923 C CH2 . TRP A 1 416 ? 37.082 21.046 14.321 1.00 4.10 ? 417 TRP A CH2 1 ATOM 3924 H H . TRP A 1 416 ? 31.784 26.596 15.354 1.00 3.79 ? 417 TRP A H 1 ATOM 3925 H HE1 . TRP A 1 416 ? 38.015 23.917 17.256 1.00 5.84 ? 417 TRP A HE1 1 ATOM 3926 N N . SER A 1 417 ? 34.552 28.471 15.076 1.00 4.72 ? 418 SER A N 1 ATOM 3927 C CA . SER A 1 417 ? 35.495 29.570 14.838 1.00 3.43 ? 418 SER A CA 1 ATOM 3928 C C . SER A 1 417 ? 35.593 30.472 16.067 1.00 4.41 ? 418 SER A C 1 ATOM 3929 O O . SER A 1 417 ? 36.693 30.866 16.466 1.00 6.03 ? 418 SER A O 1 ATOM 3930 C CB . SER A 1 417 ? 35.098 30.407 13.617 1.00 3.00 ? 418 SER A CB 1 ATOM 3931 O OG . SER A 1 417 ? 35.410 29.727 12.411 1.00 5.83 ? 418 SER A OG 1 ATOM 3932 H H . SER A 1 417 ? 33.791 28.372 14.472 1.00 4.72 ? 418 SER A H 1 ATOM 3933 H HG . SER A 1 417 ? 35.146 30.330 11.702 1.00 5.83 ? 418 SER A HG 1 ATOM 3934 N N . TYR A 1 418 ? 34.453 30.773 16.683 1.00 3.71 ? 419 TYR A N 1 ATOM 3935 C CA . TYR A 1 418 ? 34.412 31.620 17.875 1.00 4.06 ? 419 TYR A CA 1 ATOM 3936 C C . TYR A 1 418 ? 35.046 30.984 19.104 1.00 5.46 ? 419 TYR A C 1 ATOM 3937 O O . TYR A 1 418 ? 35.658 31.681 19.914 1.00 6.13 ? 419 TYR A O 1 ATOM 3938 C CB . TYR A 1 418 ? 32.981 32.012 18.199 1.00 3.29 ? 419 TYR A CB 1 ATOM 3939 C CG . TYR A 1 418 ? 32.361 32.906 17.169 1.00 4.28 ? 419 TYR A CG 1 ATOM 3940 C CD1 . TYR A 1 418 ? 32.905 34.157 16.913 1.00 5.37 ? 419 TYR A CD1 1 ATOM 3941 C CD2 . TYR A 1 418 ? 31.251 32.493 16.423 1.00 4.43 ? 419 TYR A CD2 1 ATOM 3942 C CE1 . TYR A 1 418 ? 32.370 34.984 15.945 1.00 7.74 ? 419 TYR A CE1 1 ATOM 3943 C CE2 . TYR A 1 418 ? 30.709 33.311 15.438 1.00 5.27 ? 419 TYR A CE2 1 ATOM 3944 C CZ . TYR A 1 418 ? 31.279 34.559 15.208 1.00 6.11 ? 419 TYR A CZ 1 ATOM 3945 O OH . TYR A 1 418 ? 30.785 35.407 14.254 1.00 7.54 ? 419 TYR A OH 1 ATOM 3946 H H . TYR A 1 418 ? 33.615 30.416 16.337 1.00 3.71 ? 419 TYR A H 1 ATOM 3947 H HH . TYR A 1 418 ? 31.222 36.254 14.379 1.00 7.54 ? 419 TYR A HH 1 ATOM 3948 N N . ALA A 1 419 ? 34.872 29.673 19.268 1.00 4.91 ? 420 ALA A N 1 ATOM 3949 C CA . ALA A 1 419 ? 35.459 28.971 20.413 1.00 4.45 ? 420 ALA A CA 1 ATOM 3950 C C . ALA A 1 419 ? 36.986 28.925 20.250 1.00 3.68 ? 420 ALA A C 1 ATOM 3951 O O . ALA A 1 419 ? 37.733 29.048 21.216 1.00 4.80 ? 420 ALA A O 1 ATOM 3952 C CB . ALA A 1 419 ? 34.876 27.535 20.528 1.00 3.44 ? 420 ALA A CB 1 ATOM 3953 H H . ALA A 1 419 ? 34.327 29.179 18.615 1.00 4.91 ? 420 ALA A H 1 ATOM 3954 N N . ALA A 1 420 ? 37.439 28.764 19.013 1.00 3.60 ? 421 ALA A N 1 ATOM 3955 C CA . ALA A 1 420 ? 38.858 28.721 18.711 1.00 3.03 ? 421 ALA A CA 1 ATOM 3956 C C . ALA A 1 420 ? 39.493 30.086 19.024 1.00 3.60 ? 421 ALA A C 1 ATOM 3957 O O . ALA A 1 420 ? 40.646 30.160 19.464 1.00 6.12 ? 421 ALA A O 1 ATOM 3958 C CB . ALA A 1 420 ? 39.056 28.352 17.244 1.00 3.00 ? 421 ALA A CB 1 ATOM 3959 H H . ALA A 1 420 ? 36.802 28.646 18.277 1.00 3.60 ? 421 ALA A H 1 ATOM 3960 N N . LEU A 1 421 ? 38.736 31.161 18.813 1.00 3.00 ? 422 LEU A N 1 ATOM 3961 C CA . LEU A 1 421 ? 39.230 32.506 19.105 1.00 5.83 ? 422 LEU A CA 1 ATOM 3962 C C . LEU A 1 421 ? 39.352 32.657 20.617 1.00 5.51 ? 422 LEU A C 1 ATOM 3963 O O . LEU A 1 421 ? 40.347 33.178 21.112 1.00 8.23 ? 422 LEU A O 1 ATOM 3964 C CB . LEU A 1 421 ? 38.284 33.588 18.532 1.00 5.06 ? 422 LEU A CB 1 ATOM 3965 C CG . LEU A 1 421 ? 38.559 35.102 18.694 1.00 7.44 ? 422 LEU A CG 1 ATOM 3966 C CD1 . LEU A 1 421 ? 38.460 35.568 20.147 1.00 5.01 ? 422 LEU A CD1 1 ATOM 3967 C CD2 . LEU A 1 421 ? 39.919 35.470 18.114 1.00 9.70 ? 422 LEU A CD2 1 ATOM 3968 H H . LEU A 1 421 ? 37.843 31.037 18.426 1.00 3.00 ? 422 LEU A H 1 ATOM 3969 N N . LEU A 1 422 ? 38.344 32.209 21.352 1.00 4.98 ? 423 LEU A N 1 ATOM 3970 C CA . LEU A 1 422 ? 38.377 32.304 22.804 1.00 6.13 ? 423 LEU A CA 1 ATOM 3971 C C . LEU A 1 422 ? 39.529 31.534 23.437 1.00 4.65 ? 423 LEU A C 1 ATOM 3972 O O . LEU A 1 422 ? 40.184 32.057 24.333 1.00 5.93 ? 423 LEU A O 1 ATOM 3973 C CB . LEU A 1 422 ? 37.046 31.862 23.411 1.00 6.82 ? 423 LEU A CB 1 ATOM 3974 C CG . LEU A 1 422 ? 35.876 32.815 23.135 1.00 6.68 ? 423 LEU A CG 1 ATOM 3975 C CD1 . LEU A 1 422 ? 34.590 32.196 23.594 1.00 5.89 ? 423 LEU A CD1 1 ATOM 3976 C CD2 . LEU A 1 422 ? 36.102 34.127 23.842 1.00 6.01 ? 423 LEU A CD2 1 ATOM 3977 H H . LEU A 1 422 ? 37.557 31.822 20.908 1.00 4.98 ? 423 LEU A H 1 ATOM 3978 N N . THR A 1 423 ? 39.804 30.319 22.968 1.00 5.20 ? 424 THR A N 1 ATOM 3979 C CA . THR A 1 423 ? 40.896 29.536 23.539 1.00 4.45 ? 424 THR A CA 1 ATOM 3980 C C . THR A 1 423 ? 42.279 30.101 23.180 1.00 5.72 ? 424 THR A C 1 ATOM 3981 O O . THR A 1 423 ? 43.180 30.104 24.020 1.00 6.24 ? 424 THR A O 1 ATOM 3982 C CB . THR A 1 423 ? 40.810 28.005 23.188 1.00 3.65 ? 424 THR A CB 1 ATOM 3983 O OG1 . THR A 1 423 ? 40.841 27.813 21.772 1.00 3.88 ? 424 THR A OG1 1 ATOM 3984 C CG2 . THR A 1 423 ? 39.536 27.397 23.751 1.00 3.00 ? 424 THR A CG2 1 ATOM 3985 H H . THR A 1 423 ? 39.273 29.922 22.243 1.00 5.20 ? 424 THR A H 1 ATOM 3986 H HG1 . THR A 1 423 ? 41.197 26.928 21.598 1.00 3.88 ? 424 THR A HG1 1 ATOM 3987 N N . ALA A 1 424 ? 42.456 30.585 21.951 1.00 6.01 ? 425 ALA A N 1 ATOM 3988 C CA . ALA A 1 424 ? 43.741 31.148 21.560 1.00 6.83 ? 425 ALA A CA 1 ATOM 3989 C C . ALA A 1 424 ? 43.999 32.411 22.387 1.00 7.97 ? 425 ALA A C 1 ATOM 3990 O O . ALA A 1 424 ? 45.115 32.645 22.852 1.00 7.57 ? 425 ALA A O 1 ATOM 3991 C CB . ALA A 1 424 ? 43.764 31.468 20.066 1.00 5.56 ? 425 ALA A CB 1 ATOM 3992 H H . ALA A 1 424 ? 41.734 30.513 21.286 1.00 6.01 ? 425 ALA A H 1 ATOM 3993 N N . ASN A 1 425 ? 42.959 33.218 22.583 1.00 7.62 ? 426 ASN A N 1 ATOM 3994 C CA . ASN A 1 425 ? 43.086 34.442 23.361 1.00 8.71 ? 426 ASN A CA 1 ATOM 3995 C C . ASN A 1 425 ? 43.442 34.088 24.797 1.00 8.39 ? 426 ASN A C 1 ATOM 3996 O O . ASN A 1 425 ? 44.345 34.681 25.376 1.00 8.89 ? 426 ASN A O 1 ATOM 3997 C CB . ASN A 1 425 ? 41.789 35.250 23.318 1.00 9.13 ? 426 ASN A CB 1 ATOM 3998 C CG . ASN A 1 425 ? 41.897 36.578 24.068 1.00 11.19 ? 426 ASN A CG 1 ATOM 3999 O OD1 . ASN A 1 425 ? 41.131 36.842 24.994 1.00 12.09 ? 426 ASN A OD1 1 ATOM 4000 N ND2 . ASN A 1 425 ? 42.847 37.415 23.669 1.00 7.42 ? 426 ASN A ND2 1 ATOM 4001 H H . ASN A 1 425 ? 42.090 32.976 22.187 1.00 7.62 ? 426 ASN A H 1 ATOM 4002 H HD21 . ASN A 1 425 ? 42.919 38.252 24.182 1.00 7.42 ? 426 ASN A HD21 1 ATOM 4003 H HD22 . ASN A 1 425 ? 43.420 37.181 22.917 1.00 7.42 ? 426 ASN A HD22 1 ATOM 4004 N N . ASN A 1 426 ? 42.777 33.083 25.354 1.00 9.11 ? 427 ASN A N 1 ATOM 4005 C CA . ASN A 1 426 ? 43.064 32.672 26.727 1.00 9.48 ? 427 ASN A CA 1 ATOM 4006 C C . ASN A 1 426 ? 44.500 32.216 26.928 1.00 7.21 ? 427 ASN A C 1 ATOM 4007 O O . ASN A 1 426 ? 45.158 32.651 27.873 1.00 9.07 ? 427 ASN A O 1 ATOM 4008 C CB . ASN A 1 426 ? 42.106 31.579 27.196 1.00 10.21 ? 427 ASN A CB 1 ATOM 4009 C CG . ASN A 1 426 ? 40.815 32.138 27.757 1.00 15.37 ? 427 ASN A CG 1 ATOM 4010 O OD1 . ASN A 1 426 ? 39.830 31.417 27.881 1.00 20.82 ? 427 ASN A OD1 1 ATOM 4011 N ND2 . ASN A 1 426 ? 40.812 33.418 28.105 1.00 15.61 ? 427 ASN A ND2 1 ATOM 4012 H H . ASN A 1 426 ? 42.090 32.601 24.846 1.00 9.11 ? 427 ASN A H 1 ATOM 4013 H HD21 . ASN A 1 426 ? 39.948 33.721 28.453 1.00 15.61 ? 427 ASN A HD21 1 ATOM 4014 H HD22 . ASN A 1 426 ? 41.583 34.024 28.038 1.00 15.61 ? 427 ASN A HD22 1 ATOM 4015 N N . ARG A 1 427 ? 44.978 31.333 26.056 1.00 4.27 ? 428 ARG A N 1 ATOM 4016 C CA . ARG A 1 427 ? 46.341 30.831 26.156 1.00 5.97 ? 428 ARG A CA 1 ATOM 4017 C C . ARG A 1 427 ? 47.355 31.964 26.014 1.00 6.97 ? 428 ARG A C 1 ATOM 4018 O O . ARG A 1 427 ? 48.396 31.968 26.682 1.00 6.52 ? 428 ARG A O 1 ATOM 4019 C CB . ARG A 1 427 ? 46.594 29.777 25.090 1.00 6.73 ? 428 ARG A CB 1 ATOM 4020 C CG . ARG A 1 427 ? 45.612 28.642 25.138 1.00 9.68 ? 428 ARG A CG 1 ATOM 4021 C CD . ARG A 1 427 ? 45.630 27.866 26.472 1.00 9.23 ? 428 ARG A CD 1 ATOM 4022 N NE . ARG A 1 427 ? 44.622 26.819 26.379 1.00 9.92 ? 428 ARG A NE 1 ATOM 4023 C CZ . ARG A 1 427 ? 43.379 26.934 26.844 1.00 11.63 ? 428 ARG A CZ 1 ATOM 4024 N NH1 . ARG A 1 427 ? 42.996 28.030 27.489 1.00 9.11 ? 428 ARG A NH1 1 ATOM 4025 N NH2 . ARG A 1 427 ? 42.465 26.038 26.504 1.00 12.22 ? 428 ARG A NH2 1 ATOM 4026 H H . ARG A 1 427 ? 44.409 31.006 25.328 1.00 4.27 ? 428 ARG A H 1 ATOM 4027 H HE . ARG A 1 427 ? 44.890 25.994 25.918 1.00 9.92 ? 428 ARG A HE 1 ATOM 4028 H HH11 . ARG A 1 427 ? 43.639 28.780 27.652 1.00 9.11 ? 428 ARG A HH11 1 ATOM 4029 H HH12 . ARG A 1 427 ? 42.059 28.121 27.829 1.00 9.11 ? 428 ARG A HH12 1 ATOM 4030 H HH21 . ARG A 1 427 ? 42.692 25.267 25.893 1.00 12.22 ? 428 ARG A HH21 1 ATOM 4031 H HH22 . ARG A 1 427 ? 41.520 26.118 26.839 1.00 12.22 ? 428 ARG A HH22 1 ATOM 4032 N N . ARG A 1 428 ? 47.062 32.886 25.105 1.00 7.36 ? 429 ARG A N 1 ATOM 4033 C CA . ARG A 1 428 ? 47.904 34.054 24.870 1.00 10.40 ? 429 ARG A CA 1 ATOM 4034 C C . ARG A 1 428 ? 48.066 34.819 26.180 1.00 11.42 ? 429 ARG A C 1 ATOM 4035 O O . ARG A 1 428 ? 49.136 35.364 26.464 1.00 12.90 ? 429 ARG A O 1 ATOM 4036 C CB . ARG A 1 428 ? 47.264 34.961 23.808 1.00 9.64 ? 429 ARG A CB 1 ATOM 4037 C CG . ARG A 1 428 ? 48.046 36.225 23.525 1.00 11.91 ? 429 ARG A CG 1 ATOM 4038 C CD . ARG A 1 428 ? 47.488 36.973 22.335 1.00 14.62 ? 429 ARG A CD 1 ATOM 4039 N NE . ARG A 1 428 ? 48.415 38.006 21.874 1.00 14.28 ? 429 ARG A NE 1 ATOM 4040 C CZ . ARG A 1 428 ? 48.421 39.274 22.290 1.00 17.17 ? 429 ARG A CZ 1 ATOM 4041 N NH1 . ARG A 1 428 ? 47.539 39.701 23.185 1.00 15.46 ? 429 ARG A NH1 1 ATOM 4042 N NH2 . ARG A 1 428 ? 49.327 40.121 21.815 1.00 17.93 ? 429 ARG A NH2 1 ATOM 4043 H H . ARG A 1 428 ? 46.257 32.778 24.559 1.00 7.36 ? 429 ARG A H 1 ATOM 4044 H HE . ARG A 1 428 ? 49.062 37.729 21.186 1.00 14.28 ? 429 ARG A HE 1 ATOM 4045 H HH11 . ARG A 1 428 ? 46.842 39.085 23.558 1.00 15.46 ? 429 ARG A HH11 1 ATOM 4046 H HH12 . ARG A 1 428 ? 47.544 40.656 23.493 1.00 15.46 ? 429 ARG A HH12 1 ATOM 4047 H HH21 . ARG A 1 428 ? 49.999 39.820 21.130 1.00 17.93 ? 429 ARG A HH21 1 ATOM 4048 H HH22 . ARG A 1 428 ? 49.335 41.078 22.114 1.00 17.93 ? 429 ARG A HH22 1 ATOM 4049 N N . ASN A 1 429 ? 47.005 34.838 26.982 1.00 10.80 ? 430 ASN A N 1 ATOM 4050 C CA . ASN A 1 429 ? 47.000 35.520 28.269 1.00 11.88 ? 430 ASN A CA 1 ATOM 4051 C C . ASN A 1 429 ? 47.390 34.590 29.412 1.00 13.14 ? 430 ASN A C 1 ATOM 4052 O O . ASN A 1 429 ? 47.198 34.937 30.585 1.00 14.03 ? 430 ASN A O 1 ATOM 4053 C CB . ASN A 1 429 ? 45.613 36.093 28.563 1.00 11.57 ? 430 ASN A CB 1 ATOM 4054 C CG . ASN A 1 429 ? 45.219 37.200 27.608 1.00 14.50 ? 430 ASN A CG 1 ATOM 4055 O OD1 . ASN A 1 429 ? 46.056 37.751 26.896 1.00 16.97 ? 430 ASN A OD1 1 ATOM 4056 N ND2 . ASN A 1 429 ? 43.930 37.534 27.587 1.00 14.27 ? 430 ASN A ND2 1 ATOM 4057 H H . ASN A 1 429 ? 46.180 34.393 26.697 1.00 10.80 ? 430 ASN A H 1 ATOM 4058 H HD21 . ASN A 1 429 ? 43.591 38.233 26.980 1.00 14.27 ? 430 ASN A HD21 1 ATOM 4059 H HD22 . ASN A 1 429 ? 43.335 37.048 28.198 1.00 14.27 ? 430 ASN A HD22 1 ATOM 4060 N N . SER A 1 430 ? 47.941 33.423 29.082 1.00 10.78 ? 431 SER A N 1 ATOM 4061 C CA . SER A 1 430 ? 48.356 32.446 30.087 1.00 13.16 ? 431 SER A CA 1 ATOM 4062 C C . SER A 1 430 ? 47.201 31.891 30.911 1.00 12.19 ? 431 SER A C 1 ATOM 4063 O O . SER A 1 430 ? 47.373 31.567 32.091 1.00 14.06 ? 431 SER A O 1 ATOM 4064 C CB . SER A 1 430 ? 49.424 33.031 31.032 1.00 14.94 ? 431 SER A CB 1 ATOM 4065 O OG . SER A 1 430 ? 50.597 33.393 30.320 1.00 19.39 ? 431 SER A OG 1 ATOM 4066 H H . SER A 1 430 ? 48.088 33.216 28.138 1.00 10.78 ? 431 SER A H 1 ATOM 4067 H HG . SER A 1 430 ? 50.381 34.156 29.759 1.00 19.39 ? 431 SER A HG 1 ATOM 4068 N N . VAL A 1 431 ? 46.015 31.826 30.320 1.00 9.63 ? 432 VAL A N 1 ATOM 4069 C CA . VAL A 1 431 ? 44.875 31.262 31.024 1.00 8.90 ? 432 VAL A CA 1 ATOM 4070 C C . VAL A 1 431 ? 44.791 29.858 30.466 1.00 8.16 ? 432 VAL A C 1 ATOM 4071 O O . VAL A 1 431 ? 44.507 29.658 29.274 1.00 6.47 ? 432 VAL A O 1 ATOM 4072 C CB . VAL A 1 431 ? 43.591 32.030 30.760 1.00 7.75 ? 432 VAL A CB 1 ATOM 4073 C CG1 . VAL A 1 431 ? 42.416 31.295 31.391 1.00 7.18 ? 432 VAL A CG1 1 ATOM 4074 C CG2 . VAL A 1 431 ? 43.710 33.446 31.338 1.00 8.94 ? 432 VAL A CG2 1 ATOM 4075 H H . VAL A 1 431 ? 45.935 32.146 29.413 1.00 9.63 ? 432 VAL A H 1 ATOM 4076 N N . VAL A 1 432 ? 45.113 28.894 31.317 1.00 7.79 ? 433 VAL A N 1 ATOM 4077 C CA . VAL A 1 432 ? 45.156 27.492 30.918 1.00 8.93 ? 433 VAL A CA 1 ATOM 4078 C C . VAL A 1 432 ? 43.995 26.662 31.460 1.00 11.33 ? 433 VAL A C 1 ATOM 4079 O O . VAL A 1 432 ? 43.375 27.028 32.463 1.00 13.22 ? 433 VAL A O 1 ATOM 4080 C CB . VAL A 1 432 ? 46.503 26.860 31.334 1.00 8.44 ? 433 VAL A CB 1 ATOM 4081 C CG1 . VAL A 1 432 ? 47.631 27.549 30.620 1.00 6.02 ? 433 VAL A CG1 1 ATOM 4082 C CG2 . VAL A 1 432 ? 46.699 26.966 32.834 1.00 5.98 ? 433 VAL A CG2 1 ATOM 4083 H H . VAL A 1 432 ? 45.299 29.137 32.251 1.00 7.79 ? 433 VAL A H 1 ATOM 4084 N N . PRO A 1 433 ? 43.682 25.535 30.792 1.00 10.63 ? 434 PRO A N 1 ATOM 4085 C CA . PRO A 1 433 ? 42.589 24.673 31.227 1.00 9.99 ? 434 PRO A CA 1 ATOM 4086 C C . PRO A 1 433 ? 43.058 23.756 32.337 1.00 10.75 ? 434 PRO A C 1 ATOM 4087 O O . PRO A 1 433 ? 44.257 23.632 32.592 1.00 11.29 ? 434 PRO A O 1 ATOM 4088 C CB . PRO A 1 433 ? 42.277 23.880 29.962 1.00 9.83 ? 434 PRO A CB 1 ATOM 4089 C CG . PRO A 1 433 ? 43.635 23.631 29.413 1.00 11.30 ? 434 PRO A CG 1 ATOM 4090 C CD . PRO A 1 433 ? 44.350 24.969 29.606 1.00 8.47 ? 434 PRO A CD 1 ATOM 4091 N N . PRO A 1 434 ? 42.111 23.159 33.066 1.00 10.44 ? 435 PRO A N 1 ATOM 4092 C CA . PRO A 1 434 ? 42.479 22.248 34.147 1.00 9.23 ? 435 PRO A CA 1 ATOM 4093 C C . PRO A 1 434 ? 43.273 21.060 33.578 1.00 9.32 ? 435 PRO A C 1 ATOM 4094 O O . PRO A 1 434 ? 43.110 20.679 32.409 1.00 7.24 ? 435 PRO A O 1 ATOM 4095 C CB . PRO A 1 434 ? 41.114 21.803 34.675 1.00 10.14 ? 435 PRO A CB 1 ATOM 4096 C CG . PRO A 1 434 ? 40.261 23.026 34.445 1.00 9.07 ? 435 PRO A CG 1 ATOM 4097 C CD . PRO A 1 434 ? 40.660 23.423 33.058 1.00 8.28 ? 435 PRO A CD 1 ATOM 4098 N N . SER A 1 435 ? 44.149 20.495 34.398 1.00 9.93 ? 436 SER A N 1 ATOM 4099 C CA . SER A 1 435 ? 44.960 19.344 34.003 1.00 11.38 ? 436 SER A CA 1 ATOM 4100 C C . SER A 1 435 ? 44.071 18.100 33.826 1.00 10.33 ? 436 SER A C 1 ATOM 4101 O O . SER A 1 435 ? 42.993 18.019 34.416 1.00 12.05 ? 436 SER A O 1 ATOM 4102 C CB . SER A 1 435 ? 46.024 19.087 35.073 1.00 9.85 ? 436 SER A CB 1 ATOM 4103 O OG . SER A 1 435 ? 46.697 17.864 34.847 1.00 18.14 ? 436 SER A OG 1 ATOM 4104 H H . SER A 1 435 ? 44.227 20.852 35.316 1.00 9.93 ? 436 SER A H 1 ATOM 4105 H HG . SER A 1 435 ? 47.360 17.828 35.562 1.00 18.14 ? 436 SER A HG 1 ATOM 4106 N N . TRP A 1 436 ? 44.479 17.169 32.964 1.00 10.62 ? 437 TRP A N 1 ATOM 4107 C CA . TRP A 1 436 ? 43.699 15.950 32.765 1.00 9.42 ? 437 TRP A CA 1 ATOM 4108 C C . TRP A 1 436 ? 44.456 14.720 33.252 1.00 10.49 ? 437 TRP A C 1 ATOM 4109 O O . TRP A 1 436 ? 44.010 13.599 33.046 1.00 10.62 ? 437 TRP A O 1 ATOM 4110 C CB . TRP A 1 436 ? 43.239 15.774 31.300 1.00 9.03 ? 437 TRP A CB 1 ATOM 4111 C CG . TRP A 1 436 ? 44.328 15.772 30.240 1.00 6.14 ? 437 TRP A CG 1 ATOM 4112 C CD1 . TRP A 1 436 ? 44.758 16.842 29.501 1.00 4.92 ? 437 TRP A CD1 1 ATOM 4113 C CD2 . TRP A 1 436 ? 45.063 14.635 29.761 1.00 6.45 ? 437 TRP A CD2 1 ATOM 4114 N NE1 . TRP A 1 436 ? 45.702 16.443 28.592 1.00 3.29 ? 437 TRP A NE1 1 ATOM 4115 C CE2 . TRP A 1 436 ? 45.912 15.095 28.728 1.00 4.88 ? 437 TRP A CE2 1 ATOM 4116 C CE3 . TRP A 1 436 ? 45.085 13.271 30.108 1.00 6.68 ? 437 TRP A CE3 1 ATOM 4117 C CZ2 . TRP A 1 436 ? 46.777 14.241 28.034 1.00 5.18 ? 437 TRP A CZ2 1 ATOM 4118 C CZ3 . TRP A 1 436 ? 45.948 12.418 29.414 1.00 6.36 ? 437 TRP A CZ3 1 ATOM 4119 C CH2 . TRP A 1 436 ? 46.781 12.909 28.391 1.00 8.58 ? 437 TRP A CH2 1 ATOM 4120 H H . TRP A 1 436 ? 45.325 17.304 32.477 1.00 10.62 ? 437 TRP A H 1 ATOM 4121 H HE1 . TRP A 1 436 ? 46.192 17.039 27.988 1.00 3.29 ? 437 TRP A HE1 1 ATOM 4122 N N . GLY A 1 437 ? 45.603 14.933 33.891 1.00 9.18 ? 438 GLY A N 1 ATOM 4123 C CA . GLY A 1 437 ? 46.370 13.818 34.412 1.00 7.93 ? 438 GLY A CA 1 ATOM 4124 C C . GLY A 1 437 ? 47.414 13.261 33.475 1.00 8.36 ? 438 GLY A C 1 ATOM 4125 O O . GLY A 1 437 ? 47.810 12.105 33.604 1.00 9.15 ? 438 GLY A O 1 ATOM 4126 H H . GLY A 1 437 ? 45.951 15.847 34.013 1.00 9.18 ? 438 GLY A H 1 ATOM 4127 N N . GLU A 1 438 ? 47.886 14.074 32.543 1.00 7.96 ? 439 GLU A N 1 ATOM 4128 C CA . GLU A 1 438 ? 48.898 13.612 31.596 1.00 7.99 ? 439 GLU A CA 1 ATOM 4129 C C . GLU A 1 438 ? 50.149 13.085 32.304 1.00 8.28 ? 439 GLU A C 1 ATOM 4130 O O . GLU A 1 438 ? 50.766 12.111 31.859 1.00 7.43 ? 439 GLU A O 1 ATOM 4131 C CB . GLU A 1 438 ? 49.284 14.756 30.654 1.00 6.51 ? 439 GLU A CB 1 ATOM 4132 C CG . GLU A 1 438 ? 50.176 14.356 29.487 1.00 8.46 ? 439 GLU A CG 1 ATOM 4133 C CD . GLU A 1 438 ? 51.669 14.346 29.806 1.00 11.46 ? 439 GLU A CD 1 ATOM 4134 O OE1 . GLU A 1 438 ? 52.091 14.817 30.889 1.00 10.80 ? 439 GLU A OE1 1 ATOM 4135 O OE2 . GLU A 1 438 ? 52.426 13.864 28.941 1.00 9.36 ? 439 GLU A OE2 1 ATOM 4136 H H . GLU A 1 438 ? 47.600 15.010 32.526 1.00 7.96 ? 439 GLU A H 1 ATOM 4137 N N . THR A 1 439 ? 50.505 13.697 33.430 1.00 8.32 ? 440 THR A N 1 ATOM 4138 C CA . THR A 1 439 ? 51.719 13.291 34.123 1.00 11.68 ? 440 THR A CA 1 ATOM 4139 C C . THR A 1 439 ? 51.752 11.864 34.612 1.00 12.50 ? 440 THR A C 1 ATOM 4140 O O . THR A 1 439 ? 52.802 11.381 34.999 1.00 14.21 ? 440 THR A O 1 ATOM 4141 C CB . THR A 1 439 ? 52.092 14.231 35.271 1.00 12.89 ? 440 THR A CB 1 ATOM 4142 O OG1 . THR A 1 439 ? 51.003 14.308 36.198 1.00 17.34 ? 440 THR A OG1 1 ATOM 4143 C CG2 . THR A 1 439 ? 52.438 15.603 34.729 1.00 11.67 ? 440 THR A CG2 1 ATOM 4144 H H . THR A 1 439 ? 49.959 14.434 33.797 1.00 8.32 ? 440 THR A H 1 ATOM 4145 H HG1 . THR A 1 439 ? 51.207 14.945 36.891 1.00 17.34 ? 440 THR A HG1 1 ATOM 4146 N N . SER A 1 440 ? 50.616 11.183 34.607 1.00 13.53 ? 441 SER A N 1 ATOM 4147 C CA . SER A 1 440 ? 50.610 9.794 35.020 1.00 15.39 ? 441 SER A CA 1 ATOM 4148 C C . SER A 1 440 ? 50.017 8.948 33.889 1.00 15.87 ? 441 SER A C 1 ATOM 4149 O O . SER A 1 440 ? 49.582 7.810 34.102 1.00 17.10 ? 441 SER A O 1 ATOM 4150 C CB . SER A 1 440 ? 49.836 9.625 36.334 1.00 16.60 ? 441 SER A CB 1 ATOM 4151 O OG . SER A 1 440 ? 48.448 9.857 36.165 1.00 21.50 ? 441 SER A OG 1 ATOM 4152 H H . SER A 1 440 ? 49.777 11.602 34.334 1.00 13.53 ? 441 SER A H 1 ATOM 4153 H HG . SER A 1 440 ? 48.154 9.124 35.613 1.00 21.50 ? 441 SER A HG 1 ATOM 4154 N N . ALA A 1 441 ? 50.045 9.489 32.674 1.00 14.29 ? 442 ALA A N 1 ATOM 4155 C CA . ALA A 1 441 ? 49.490 8.788 31.536 1.00 13.07 ? 442 ALA A CA 1 ATOM 4156 C C . ALA A 1 441 ? 50.302 9.034 30.268 1.00 13.62 ? 442 ALA A C 1 ATOM 4157 O O . ALA A 1 441 ? 49.751 9.209 29.179 1.00 11.46 ? 442 ALA A O 1 ATOM 4158 C CB . ALA A 1 441 ? 48.031 9.204 31.335 1.00 13.90 ? 442 ALA A CB 1 ATOM 4159 H H . ALA A 1 441 ? 50.468 10.359 32.529 1.00 14.29 ? 442 ALA A H 1 ATOM 4160 N N . SER A 1 442 ? 51.619 9.057 30.403 1.00 13.32 ? 443 SER A N 1 ATOM 4161 C CA . SER A 1 442 ? 52.455 9.261 29.242 1.00 13.26 ? 443 SER A CA 1 ATOM 4162 C C . SER A 1 442 ? 53.418 8.102 29.070 1.00 13.22 ? 443 SER A C 1 ATOM 4163 O O . SER A 1 442 ? 54.254 8.115 28.182 1.00 14.44 ? 443 SER A O 1 ATOM 4164 C CB . SER A 1 442 ? 53.199 10.601 29.322 1.00 15.73 ? 443 SER A CB 1 ATOM 4165 O OG . SER A 1 442 ? 54.239 10.568 30.294 1.00 14.75 ? 443 SER A OG 1 ATOM 4166 H H . SER A 1 442 ? 52.025 8.949 31.294 1.00 13.32 ? 443 SER A H 1 ATOM 4167 N N . SER A 1 443 ? 53.270 7.075 29.894 1.00 12.38 ? 444 SER A N 1 ATOM 4168 C CA . SER A 1 443 ? 54.129 5.912 29.815 1.00 13.65 ? 444 SER A CA 1 ATOM 4169 C C . SER A 1 443 ? 53.630 4.951 28.735 1.00 13.01 ? 444 SER A C 1 ATOM 4170 O O . SER A 1 443 ? 52.492 4.498 28.776 1.00 12.72 ? 444 SER A O 1 ATOM 4171 C CB . SER A 1 443 ? 54.153 5.225 31.168 1.00 17.79 ? 444 SER A CB 1 ATOM 4172 O OG . SER A 1 443 ? 54.840 3.991 31.077 1.00 24.27 ? 444 SER A OG 1 ATOM 4173 H H . SER A 1 443 ? 52.542 7.077 30.558 1.00 12.38 ? 444 SER A H 1 ATOM 4174 N N . VAL A 1 444 ? 54.488 4.625 27.779 1.00 12.21 ? 445 VAL A N 1 ATOM 4175 C CA . VAL A 1 444 ? 54.101 3.737 26.683 1.00 13.21 ? 445 VAL A CA 1 ATOM 4176 C C . VAL A 1 444 ? 54.405 2.267 26.972 1.00 14.58 ? 445 VAL A C 1 ATOM 4177 O O . VAL A 1 444 ? 55.501 1.938 27.417 1.00 15.61 ? 445 VAL A O 1 ATOM 4178 C CB . VAL A 1 444 ? 54.816 4.154 25.373 1.00 12.78 ? 445 VAL A CB 1 ATOM 4179 C CG1 . VAL A 1 444 ? 54.383 3.260 24.215 1.00 12.84 ? 445 VAL A CG1 1 ATOM 4180 C CG2 . VAL A 1 444 ? 54.529 5.627 25.061 1.00 14.13 ? 445 VAL A CG2 1 ATOM 4181 H H . VAL A 1 444 ? 55.414 4.969 27.814 1.00 12.21 ? 445 VAL A H 1 ATOM 4182 N N . PRO A 1 445 ? 53.425 1.371 26.766 1.00 14.45 ? 446 PRO A N 1 ATOM 4183 C CA . PRO A 1 445 ? 53.657 -0.058 27.015 1.00 15.69 ? 446 PRO A CA 1 ATOM 4184 C C . PRO A 1 445 ? 54.736 -0.594 26.071 1.00 16.93 ? 446 PRO A C 1 ATOM 4185 O O . PRO A 1 445 ? 54.915 -0.082 24.957 1.00 15.75 ? 446 PRO A O 1 ATOM 4186 C CB . PRO A 1 445 ? 52.298 -0.679 26.701 1.00 16.59 ? 446 PRO A CB 1 ATOM 4187 C CG . PRO A 1 445 ? 51.339 0.412 27.092 1.00 14.45 ? 446 PRO A CG 1 ATOM 4188 C CD . PRO A 1 445 ? 52.001 1.625 26.488 1.00 14.30 ? 446 PRO A CD 1 ATOM 4189 N N . GLY A 1 446 ? 55.438 -1.638 26.507 1.00 18.45 ? 447 GLY A N 1 ATOM 4190 C CA . GLY A 1 446 ? 56.487 -2.228 25.691 1.00 17.86 ? 447 GLY A CA 1 ATOM 4191 C C . GLY A 1 446 ? 55.987 -2.864 24.409 1.00 18.26 ? 447 GLY A C 1 ATOM 4192 O O . GLY A 1 446 ? 56.708 -2.935 23.415 1.00 19.82 ? 447 GLY A O 1 ATOM 4193 H H . GLY A 1 446 ? 55.227 -2.050 27.368 1.00 18.45 ? 447 GLY A H 1 ATOM 4194 N N . THR A 1 447 ? 54.742 -3.314 24.419 1.00 19.74 ? 448 THR A N 1 ATOM 4195 C CA . THR A 1 447 ? 54.158 -3.947 23.244 1.00 19.79 ? 448 THR A CA 1 ATOM 4196 C C . THR A 1 447 ? 52.704 -3.510 23.074 1.00 17.10 ? 448 THR A C 1 ATOM 4197 O O . THR A 1 447 ? 51.922 -3.541 24.032 1.00 18.59 ? 448 THR A O 1 ATOM 4198 C CB . THR A 1 447 ? 54.226 -5.495 23.353 1.00 20.53 ? 448 THR A CB 1 ATOM 4199 O OG1 . THR A 1 447 ? 55.573 -5.892 23.652 1.00 26.49 ? 448 THR A OG1 1 ATOM 4200 C CG2 . THR A 1 447 ? 53.795 -6.148 22.038 1.00 20.27 ? 448 THR A CG2 1 ATOM 4201 H H . THR A 1 447 ? 54.195 -3.230 25.229 1.00 19.74 ? 448 THR A H 1 ATOM 4202 H HG1 . THR A 1 447 ? 56.140 -5.321 23.108 1.00 26.49 ? 448 THR A HG1 1 ATOM 4203 N N . CYS A 1 448 ? 52.377 -3.064 21.867 1.00 14.97 ? 449 CYS A N 1 ATOM 4204 C CA . CYS A 1 448 ? 51.038 -2.613 21.533 1.00 14.47 ? 449 CYS A CA 1 ATOM 4205 C C . CYS A 1 448 ? 50.210 -3.811 21.106 1.00 15.13 ? 449 CYS A C 1 ATOM 4206 O O . CYS A 1 448 ? 50.700 -4.673 20.384 1.00 16.82 ? 449 CYS A O 1 ATOM 4207 C CB . CYS A 1 448 ? 51.076 -1.640 20.361 1.00 11.53 ? 449 CYS A CB 1 ATOM 4208 S SG . CYS A 1 448 ? 52.106 -0.167 20.582 1.00 13.88 ? 449 CYS A SG 1 ATOM 4209 H H . CYS A 1 448 ? 53.049 -3.046 21.155 1.00 14.97 ? 449 CYS A H 1 ATOM 4210 N N . ALA A 1 449 ? 48.943 -3.827 21.503 1.00 13.82 ? 450 ALA A N 1 ATOM 4211 C CA . ALA A 1 449 ? 48.034 -4.901 21.151 1.00 13.22 ? 450 ALA A CA 1 ATOM 4212 C C . ALA A 1 449 ? 46.788 -4.314 20.514 1.00 11.83 ? 450 ALA A C 1 ATOM 4213 O O . ALA A 1 449 ? 46.332 -3.246 20.932 1.00 11.76 ? 450 ALA A O 1 ATOM 4214 C CB . ALA A 1 449 ? 47.648 -5.679 22.399 1.00 15.23 ? 450 ALA A CB 1 ATOM 4215 H H . ALA A 1 449 ? 48.610 -3.082 22.039 1.00 13.82 ? 450 ALA A H 1 ATOM 4216 N N . ALA A 1 450 ? 46.305 -4.950 19.447 1.00 10.01 ? 451 ALA A N 1 ATOM 4217 C CA . ALA A 1 450 ? 45.071 -4.533 18.782 1.00 9.93 ? 451 ALA A CA 1 ATOM 4218 C C . ALA A 1 450 ? 44.055 -5.126 19.741 1.00 13.11 ? 451 ALA A C 1 ATOM 4219 O O . ALA A 1 450 ? 43.934 -6.349 19.826 1.00 15.45 ? 451 ALA A O 1 ATOM 4220 C CB . ALA A 1 450 ? 44.954 -5.197 17.431 1.00 6.81 ? 451 ALA A CB 1 ATOM 4221 H H . ALA A 1 450 ? 46.790 -5.736 19.095 1.00 10.01 ? 451 ALA A H 1 ATOM 4222 N N A THR A 1 451 ? 43.304 -4.281 20.438 0.55 13.02 ? 452 THR A N 1 ATOM 4223 N N B THR A 1 451 ? 43.347 -4.280 20.483 0.45 13.51 ? 452 THR A N 1 ATOM 4224 C CA A THR A 1 451 ? 42.334 -4.788 21.388 0.55 11.80 ? 452 THR A CA 1 ATOM 4225 C CA B THR A 1 451 ? 42.402 -4.768 21.479 0.45 12.81 ? 452 THR A CA 1 ATOM 4226 C C A THR A 1 451 ? 41.201 -3.805 21.675 0.55 12.30 ? 452 THR A C 1 ATOM 4227 C C B THR A 1 451 ? 41.255 -3.782 21.728 0.45 12.75 ? 452 THR A C 1 ATOM 4228 O O A THR A 1 451 ? 41.057 -2.788 20.986 0.55 11.45 ? 452 THR A O 1 ATOM 4229 O O B THR A 1 451 ? 41.141 -2.754 21.050 0.45 11.87 ? 452 THR A O 1 ATOM 4230 C CB A THR A 1 451 ? 43.037 -5.195 22.700 0.55 13.17 ? 452 THR A CB 1 ATOM 4231 C CB B THR A 1 451 ? 43.170 -5.025 22.809 0.45 14.66 ? 452 THR A CB 1 ATOM 4232 O OG1 A THR A 1 451 ? 42.138 -5.987 23.502 0.55 15.16 ? 452 THR A OG1 1 ATOM 4233 O OG1 B THR A 1 451 ? 42.360 -5.784 23.734 0.45 17.37 ? 452 THR A OG1 1 ATOM 4234 C CG2 A THR A 1 451 ? 43.476 -3.954 23.486 0.55 11.66 ? 452 THR A CG2 1 ATOM 4235 C CG2 B THR A 1 451 ? 43.582 -3.697 23.449 0.45 12.68 ? 452 THR A CG2 1 ATOM 4236 H H A THR A 1 451 ? 43.382 -3.309 20.322 0.55 13.02 ? 452 THR A H 1 ATOM 4237 H H B THR A 1 451 ? 43.435 -3.309 20.373 0.45 13.51 ? 452 THR A H 1 ATOM 4238 N N . SER A 1 452 ? 40.393 -4.132 22.682 1.00 10.96 ? 453 SER A N 1 ATOM 4239 C CA . SER A 1 452 ? 39.257 -3.315 23.080 1.00 11.79 ? 453 SER A CA 1 ATOM 4240 C C . SER A 1 452 ? 38.797 -3.881 24.429 1.00 10.57 ? 453 SER A C 1 ATOM 4241 O O . SER A 1 452 ? 39.318 -4.893 24.900 1.00 7.49 ? 453 SER A O 1 ATOM 4242 C CB . SER A 1 452 ? 38.101 -3.486 22.084 1.00 12.21 ? 453 SER A CB 1 ATOM 4243 O OG . SER A 1 452 ? 37.269 -4.573 22.505 1.00 21.29 ? 453 SER A OG 1 ATOM 4244 H H . SER A 1 452 ? 40.523 -4.953 23.187 1.00 10.96 ? 453 SER A H 1 ATOM 4245 N N . ALA A 1 453 ? 37.843 -3.205 25.053 1.00 9.33 ? 454 ALA A N 1 ATOM 4246 C CA . ALA A 1 453 ? 37.244 -3.657 26.295 1.00 9.86 ? 454 ALA A CA 1 ATOM 4247 C C . ALA A 1 453 ? 35.844 -3.083 26.203 1.00 12.10 ? 454 ALA A C 1 ATOM 4248 O O . ALA A 1 453 ? 35.657 -1.947 25.763 1.00 14.77 ? 454 ALA A O 1 ATOM 4249 C CB . ALA A 1 453 ? 37.964 -3.098 27.500 1.00 7.42 ? 454 ALA A CB 1 ATOM 4250 H H . ALA A 1 453 ? 37.524 -2.350 24.669 1.00 9.33 ? 454 ALA A H 1 ATOM 4251 N N A SER A 1 454 ? 34.847 -3.883 26.546 0.50 11.76 ? 455 SER A N 1 ATOM 4252 N N B SER A 1 454 ? 34.847 -3.880 26.548 0.50 11.47 ? 455 SER A N 1 ATOM 4253 C CA A SER A 1 454 ? 33.478 -3.403 26.500 0.50 12.74 ? 455 SER A CA 1 ATOM 4254 C CA B SER A 1 454 ? 33.480 -3.398 26.493 0.50 12.28 ? 455 SER A CA 1 ATOM 4255 C C A SER A 1 454 ? 33.093 -2.919 27.887 0.50 12.40 ? 455 SER A C 1 ATOM 4256 C C B SER A 1 454 ? 33.083 -2.924 27.882 0.50 11.93 ? 455 SER A C 1 ATOM 4257 O O A SER A 1 454 ? 33.378 -3.591 28.884 0.50 13.30 ? 455 SER A O 1 ATOM 4258 O O B SER A 1 454 ? 33.349 -3.608 28.873 0.50 13.05 ? 455 SER A O 1 ATOM 4259 C CB A SER A 1 454 ? 32.531 -4.507 26.044 0.50 14.06 ? 455 SER A CB 1 ATOM 4260 C CB B SER A 1 454 ? 32.549 -4.504 26.014 0.50 12.92 ? 455 SER A CB 1 ATOM 4261 O OG A SER A 1 454 ? 31.186 -4.028 26.047 0.50 15.82 ? 455 SER A OG 1 ATOM 4262 O OG B SER A 1 454 ? 31.236 -3.993 25.790 0.50 14.04 ? 455 SER A OG 1 ATOM 4263 H H A SER A 1 454 ? 35.022 -4.797 26.859 0.50 11.76 ? 455 SER A H 1 ATOM 4264 H H B SER A 1 454 ? 35.021 -4.793 26.864 0.50 11.47 ? 455 SER A H 1 ATOM 4265 N N . GLY A 1 455 ? 32.492 -1.736 27.953 1.00 11.06 ? 456 GLY A N 1 ATOM 4266 C CA . GLY A 1 455 ? 32.088 -1.192 29.231 1.00 8.92 ? 456 GLY A CA 1 ATOM 4267 C C . GLY A 1 455 ? 30.648 -1.526 29.527 1.00 10.68 ? 456 GLY A C 1 ATOM 4268 O O . GLY A 1 455 ? 30.235 -2.697 29.526 1.00 10.07 ? 456 GLY A O 1 ATOM 4269 H H . GLY A 1 455 ? 32.319 -1.245 27.133 1.00 11.06 ? 456 GLY A H 1 ATOM 4270 N N . THR A 1 456 ? 29.862 -0.479 29.724 1.00 7.42 ? 457 THR A N 1 ATOM 4271 C CA . THR A 1 456 ? 28.471 -0.668 30.017 1.00 7.81 ? 457 THR A CA 1 ATOM 4272 C C . THR A 1 456 ? 27.624 0.493 29.512 1.00 5.77 ? 457 THR A C 1 ATOM 4273 O O . THR A 1 456 ? 28.089 1.639 29.452 1.00 4.40 ? 457 THR A O 1 ATOM 4274 C CB . THR A 1 456 ? 28.275 -0.887 31.507 1.00 9.14 ? 457 THR A CB 1 ATOM 4275 O OG1 . THR A 1 456 ? 26.918 -1.266 31.724 1.00 18.53 ? 457 THR A OG1 1 ATOM 4276 C CG2 . THR A 1 456 ? 28.604 0.364 32.305 1.00 11.29 ? 457 THR A CG2 1 ATOM 4277 H H . THR A 1 456 ? 30.187 0.447 29.676 1.00 7.42 ? 457 THR A H 1 ATOM 4278 N N . TYR A 1 457 ? 26.385 0.187 29.146 1.00 3.67 ? 458 TYR A N 1 ATOM 4279 C CA . TYR A 1 457 ? 25.475 1.194 28.629 1.00 4.82 ? 458 TYR A CA 1 ATOM 4280 C C . TYR A 1 457 ? 24.170 1.202 29.398 1.00 6.48 ? 458 TYR A C 1 ATOM 4281 O O . TYR A 1 457 ? 23.636 0.147 29.737 1.00 5.44 ? 458 TYR A O 1 ATOM 4282 C CB . TYR A 1 457 ? 25.178 0.934 27.149 1.00 4.10 ? 458 TYR A CB 1 ATOM 4283 C CG . TYR A 1 457 ? 26.396 0.993 26.253 1.00 4.89 ? 458 TYR A CG 1 ATOM 4284 C CD1 . TYR A 1 457 ? 26.949 2.214 25.866 1.00 5.49 ? 458 TYR A CD1 1 ATOM 4285 C CD2 . TYR A 1 457 ? 26.981 -0.169 25.778 1.00 5.25 ? 458 TYR A CD2 1 ATOM 4286 C CE1 . TYR A 1 457 ? 28.055 2.273 25.023 1.00 7.15 ? 458 TYR A CE1 1 ATOM 4287 C CE2 . TYR A 1 457 ? 28.093 -0.126 24.926 1.00 5.01 ? 458 TYR A CE2 1 ATOM 4288 C CZ . TYR A 1 457 ? 28.620 1.100 24.556 1.00 6.63 ? 458 TYR A CZ 1 ATOM 4289 O OH . TYR A 1 457 ? 29.702 1.153 23.711 1.00 7.69 ? 458 TYR A OH 1 ATOM 4290 H H . TYR A 1 457 ? 26.044 -0.730 29.243 1.00 3.67 ? 458 TYR A H 1 ATOM 4291 H HH . TYR A 1 457 ? 29.549 0.493 23.014 1.00 7.69 ? 458 TYR A HH 1 ATOM 4292 N N . SER A 1 458 ? 23.658 2.399 29.658 1.00 4.61 ? 459 SER A N 1 ATOM 4293 C CA . SER A 1 458 ? 22.402 2.553 30.363 1.00 7.01 ? 459 SER A CA 1 ATOM 4294 C C . SER A 1 458 ? 21.848 3.948 30.085 1.00 6.01 ? 459 SER A C 1 ATOM 4295 O O . SER A 1 458 ? 22.566 4.947 30.174 1.00 4.51 ? 459 SER A O 1 ATOM 4296 C CB . SER A 1 458 ? 22.597 2.333 31.863 1.00 5.47 ? 459 SER A CB 1 ATOM 4297 O OG . SER A 1 458 ? 21.326 2.251 32.516 1.00 7.70 ? 459 SER A OG 1 ATOM 4298 H H . SER A 1 458 ? 24.126 3.213 29.376 1.00 4.61 ? 459 SER A H 1 ATOM 4299 N N . SER A 1 459 ? 20.576 4.004 29.717 1.00 5.68 ? 460 SER A N 1 ATOM 4300 C CA . SER A 1 459 ? 19.927 5.263 29.400 1.00 5.27 ? 460 SER A CA 1 ATOM 4301 C C . SER A 1 459 ? 19.718 6.178 30.611 1.00 5.33 ? 460 SER A C 1 ATOM 4302 O O . SER A 1 459 ? 19.206 5.755 31.651 1.00 3.00 ? 460 SER A O 1 ATOM 4303 C CB . SER A 1 459 ? 18.592 4.996 28.722 1.00 7.67 ? 460 SER A CB 1 ATOM 4304 O OG . SER A 1 459 ? 17.948 6.233 28.401 1.00 10.76 ? 460 SER A OG 1 ATOM 4305 H H . SER A 1 459 ? 20.023 3.186 29.691 1.00 5.68 ? 460 SER A H 1 ATOM 4306 N N . VAL A 1 460 ? 20.093 7.444 30.454 1.00 4.25 ? 461 VAL A N 1 ATOM 4307 C CA . VAL A 1 460 ? 19.976 8.417 31.533 1.00 5.54 ? 461 VAL A CA 1 ATOM 4308 C C . VAL A 1 460 ? 18.772 9.320 31.333 1.00 6.95 ? 461 VAL A C 1 ATOM 4309 O O . VAL A 1 460 ? 18.484 9.758 30.221 1.00 6.36 ? 461 VAL A O 1 ATOM 4310 C CB . VAL A 1 460 ? 21.243 9.295 31.632 1.00 7.06 ? 461 VAL A CB 1 ATOM 4311 C CG1 . VAL A 1 460 ? 21.166 10.204 32.870 1.00 5.63 ? 461 VAL A CG1 1 ATOM 4312 C CG2 . VAL A 1 460 ? 22.483 8.415 31.686 1.00 4.03 ? 461 VAL A CG2 1 ATOM 4313 H H . VAL A 1 460 ? 20.457 7.744 29.590 1.00 4.25 ? 461 VAL A H 1 ATOM 4314 N N . THR A 1 461 ? 18.057 9.570 32.417 1.00 9.25 ? 462 THR A N 1 ATOM 4315 C CA . THR A 1 461 ? 16.891 10.436 32.390 1.00 12.59 ? 462 THR A CA 1 ATOM 4316 C C . THR A 1 461 ? 17.186 11.552 33.360 1.00 13.57 ? 462 THR A C 1 ATOM 4317 O O . THR A 1 461 ? 17.486 11.301 34.524 1.00 13.27 ? 462 THR A O 1 ATOM 4318 C CB . THR A 1 461 ? 15.642 9.674 32.846 1.00 15.46 ? 462 THR A CB 1 ATOM 4319 O OG1 . THR A 1 461 ? 15.430 8.560 31.954 1.00 17.08 ? 462 THR A OG1 1 ATOM 4320 C CG2 . THR A 1 461 ? 14.414 10.580 32.854 1.00 15.85 ? 462 THR A CG2 1 ATOM 4321 H H . THR A 1 461 ? 18.330 9.186 33.280 1.00 9.25 ? 462 THR A H 1 ATOM 4322 N N . VAL A 1 462 ? 17.170 12.782 32.877 1.00 15.25 ? 463 VAL A N 1 ATOM 4323 C CA . VAL A 1 462 ? 17.441 13.907 33.751 1.00 19.23 ? 463 VAL A CA 1 ATOM 4324 C C . VAL A 1 462 ? 16.118 14.438 34.280 1.00 24.24 ? 463 VAL A C 1 ATOM 4325 O O . VAL A 1 462 ? 15.431 15.204 33.608 1.00 24.85 ? 463 VAL A O 1 ATOM 4326 C CB . VAL A 1 462 ? 18.235 15.001 33.027 1.00 16.53 ? 463 VAL A CB 1 ATOM 4327 C CG1 . VAL A 1 462 ? 18.515 16.160 33.969 1.00 16.45 ? 463 VAL A CG1 1 ATOM 4328 C CG2 . VAL A 1 462 ? 19.544 14.428 32.524 1.00 16.59 ? 463 VAL A CG2 1 ATOM 4329 H H . VAL A 1 462 ? 16.966 12.935 31.928 1.00 15.25 ? 463 VAL A H 1 ATOM 4330 N N . THR A 1 463 ? 15.750 13.965 35.468 1.00 29.68 ? 464 THR A N 1 ATOM 4331 C CA . THR A 1 463 ? 14.513 14.362 36.130 1.00 37.31 ? 464 THR A CA 1 ATOM 4332 C C . THR A 1 463 ? 14.497 15.870 36.403 1.00 37.82 ? 464 THR A C 1 ATOM 4333 O O . THR A 1 463 ? 13.535 16.553 36.051 1.00 39.10 ? 464 THR A O 1 ATOM 4334 C CB . THR A 1 463 ? 14.317 13.585 37.456 1.00 42.46 ? 464 THR A CB 1 ATOM 4335 O OG1 . THR A 1 463 ? 14.178 12.174 37.170 1.00 49.87 ? 464 THR A OG1 1 ATOM 4336 C CG2 . THR A 1 463 ? 13.076 14.082 38.197 1.00 44.67 ? 464 THR A CG2 1 ATOM 4337 H H . THR A 1 463 ? 16.353 13.346 35.931 1.00 29.68 ? 464 THR A H 1 ATOM 4338 N N . SER A 1 464 ? 15.556 16.380 37.028 1.00 36.74 ? 465 SER A N 1 ATOM 4339 C CA . SER A 1 464 ? 15.665 17.804 37.325 1.00 35.16 ? 465 SER A CA 1 ATOM 4340 C C . SER A 1 464 ? 17.066 18.169 37.788 1.00 33.35 ? 465 SER A C 1 ATOM 4341 O O . SER A 1 464 ? 17.848 17.302 38.192 1.00 34.49 ? 465 SER A O 1 ATOM 4342 C CB . SER A 1 464 ? 14.639 18.233 38.391 1.00 37.02 ? 465 SER A CB 1 ATOM 4343 O OG . SER A 1 464 ? 14.824 17.562 39.633 1.00 39.43 ? 465 SER A OG 1 ATOM 4344 H H . SER A 1 464 ? 16.297 15.807 37.323 1.00 36.74 ? 465 SER A H 1 ATOM 4345 H HG . SER A 1 464 ? 15.674 17.781 40.042 1.00 39.43 ? 465 SER A HG 1 ATOM 4346 N N . TRP A 1 465 ? 17.393 19.450 37.682 1.00 30.01 ? 466 TRP A N 1 ATOM 4347 C CA . TRP A 1 465 ? 18.683 19.952 38.124 1.00 29.33 ? 466 TRP A CA 1 ATOM 4348 C C . TRP A 1 465 ? 18.508 20.589 39.489 1.00 31.29 ? 466 TRP A C 1 ATOM 4349 O O . TRP A 1 465 ? 17.516 21.285 39.730 1.00 31.03 ? 466 TRP A O 1 ATOM 4350 C CB . TRP A 1 465 ? 19.213 21.012 37.161 1.00 24.69 ? 466 TRP A CB 1 ATOM 4351 C CG . TRP A 1 465 ? 19.890 20.446 35.979 1.00 21.79 ? 466 TRP A CG 1 ATOM 4352 C CD1 . TRP A 1 465 ? 19.343 20.207 34.751 1.00 21.95 ? 466 TRP A CD1 1 ATOM 4353 C CD2 . TRP A 1 465 ? 21.251 20.023 35.902 1.00 19.22 ? 466 TRP A CD2 1 ATOM 4354 N NE1 . TRP A 1 465 ? 20.286 19.660 33.913 1.00 21.35 ? 466 TRP A NE1 1 ATOM 4355 C CE2 . TRP A 1 465 ? 21.466 19.536 34.596 1.00 19.34 ? 466 TRP A CE2 1 ATOM 4356 C CE3 . TRP A 1 465 ? 22.311 20.009 36.810 1.00 17.67 ? 466 TRP A CE3 1 ATOM 4357 C CZ2 . TRP A 1 465 ? 22.694 19.033 34.180 1.00 16.84 ? 466 TRP A CZ2 1 ATOM 4358 C CZ3 . TRP A 1 465 ? 23.534 19.507 36.393 1.00 18.00 ? 466 TRP A CZ3 1 ATOM 4359 C CH2 . TRP A 1 465 ? 23.714 19.028 35.089 1.00 18.16 ? 466 TRP A CH2 1 ATOM 4360 H H . TRP A 1 465 ? 16.743 20.092 37.313 1.00 30.01 ? 466 TRP A H 1 ATOM 4361 H HE1 . TRP A 1 465 ? 20.164 19.420 32.972 1.00 21.35 ? 466 TRP A HE1 1 ATOM 4362 N N . PRO A 1 466 ? 19.404 20.275 40.435 1.00 32.26 ? 467 PRO A N 1 ATOM 4363 C CA . PRO A 1 466 ? 19.272 20.888 41.760 1.00 33.42 ? 467 PRO A CA 1 ATOM 4364 C C . PRO A 1 466 ? 19.482 22.396 41.595 1.00 34.64 ? 467 PRO A C 1 ATOM 4365 O O . PRO A 1 466 ? 20.064 22.834 40.598 1.00 33.23 ? 467 PRO A O 1 ATOM 4366 C CB . PRO A 1 466 ? 20.412 20.240 42.557 1.00 33.65 ? 467 PRO A CB 1 ATOM 4367 C CG . PRO A 1 466 ? 21.402 19.808 41.486 1.00 34.77 ? 467 PRO A CG 1 ATOM 4368 C CD . PRO A 1 466 ? 20.485 19.276 40.418 1.00 32.99 ? 467 PRO A CD 1 ATOM 4369 N N . SER A 1 467 ? 18.959 23.188 42.523 1.00 36.85 ? 468 SER A N 1 ATOM 4370 C CA . SER A 1 467 ? 19.113 24.634 42.435 1.00 39.45 ? 468 SER A CA 1 ATOM 4371 C C . SER A 1 467 ? 20.571 24.963 42.709 1.00 39.99 ? 468 SER A C 1 ATOM 4372 O O . SER A 1 467 ? 20.975 25.177 43.847 1.00 41.85 ? 468 SER A O 1 ATOM 4373 C CB . SER A 1 467 ? 18.193 25.339 43.432 1.00 41.14 ? 468 SER A CB 1 ATOM 4374 O OG . SER A 1 467 ? 18.283 26.749 43.300 1.00 46.79 ? 468 SER A OG 1 ATOM 4375 H H . SER A 1 467 ? 18.448 22.807 43.260 1.00 36.85 ? 468 SER A H 1 ATOM 4376 H HG . SER A 1 467 ? 19.187 27.024 43.524 1.00 46.79 ? 468 SER A HG 1 ATOM 4377 N N . ILE A 1 468 ? 21.362 24.960 41.647 1.00 41.43 ? 469 ILE A N 1 ATOM 4378 C CA . ILE A 1 468 ? 22.781 25.235 41.738 1.00 42.10 ? 469 ILE A CA 1 ATOM 4379 C C . ILE A 1 468 ? 23.025 26.724 41.656 1.00 44.36 ? 469 ILE A C 1 ATOM 4380 O O . ILE A 1 468 ? 22.532 27.396 40.752 1.00 45.91 ? 469 ILE A O 1 ATOM 4381 C CB . ILE A 1 468 ? 23.543 24.535 40.601 1.00 40.71 ? 469 ILE A CB 1 ATOM 4382 C CG1 . ILE A 1 468 ? 23.437 23.021 40.767 1.00 39.01 ? 469 ILE A CG1 1 ATOM 4383 C CG2 . ILE A 1 468 ? 24.993 24.993 40.569 1.00 39.04 ? 469 ILE A CG2 1 ATOM 4384 C CD1 . ILE A 1 468 ? 23.909 22.245 39.568 1.00 40.19 ? 469 ILE A CD1 1 ATOM 4385 H H . ILE A 1 468 ? 20.970 24.806 40.755 1.00 41.43 ? 469 ILE A H 1 ATOM 4386 N N . VAL A 1 469 ? 23.736 27.246 42.639 1.00 46.87 ? 470 VAL A N 1 ATOM 4387 C CA . VAL A 1 469 ? 24.070 28.652 42.666 1.00 49.82 ? 470 VAL A CA 1 ATOM 4388 C C . VAL A 1 469 ? 25.567 28.728 42.447 1.00 52.66 ? 470 VAL A C 1 ATOM 4389 O O . VAL A 1 469 ? 26.346 28.131 43.193 1.00 53.76 ? 470 VAL A O 1 ATOM 4390 C CB . VAL A 1 469 ? 23.681 29.284 44.002 1.00 50.06 ? 470 VAL A CB 1 ATOM 4391 C CG1 . VAL A 1 469 ? 24.450 30.577 44.230 1.00 50.91 ? 470 VAL A CG1 1 ATOM 4392 C CG2 . VAL A 1 469 ? 22.188 29.547 44.014 1.00 50.23 ? 470 VAL A CG2 1 ATOM 4393 H H . VAL A 1 469 ? 24.058 26.671 43.375 1.00 46.87 ? 470 VAL A H 1 ATOM 4394 N N . ALA A 1 470 ? 25.960 29.397 41.374 1.00 55.43 ? 471 ALA A N 1 ATOM 4395 C CA . ALA A 1 470 ? 27.366 29.535 41.050 1.00 59.32 ? 471 ALA A CA 1 ATOM 4396 C C . ALA A 1 470 ? 27.738 30.980 41.231 1.00 61.89 ? 471 ALA A C 1 ATOM 4397 O O . ALA A 1 470 ? 27.170 31.866 40.587 1.00 62.26 ? 471 ALA A O 1 ATOM 4398 C CB . ALA A 1 470 ? 27.636 29.099 39.621 1.00 58.87 ? 471 ALA A CB 1 ATOM 4399 H H . ALA A 1 470 ? 25.300 29.859 40.806 1.00 55.43 ? 471 ALA A H 1 ATOM 4400 N N . THR A 1 471 ? 28.664 31.217 42.146 1.00 65.33 ? 472 THR A N 1 ATOM 4401 C CA . THR A 1 471 ? 29.141 32.559 42.429 1.00 69.19 ? 472 THR A CA 1 ATOM 4402 C C . THR A 1 471 ? 30.674 32.516 42.379 1.00 71.18 ? 472 THR A C 1 ATOM 4403 O O . THR A 1 471 ? 31.255 31.502 42.845 1.00 73.30 ? 472 THR A O 1 ATOM 4404 C CB . THR A 1 471 ? 28.654 33.049 43.822 1.00 70.22 ? 472 THR A CB 1 ATOM 4405 O OG1 . THR A 1 471 ? 27.239 32.827 43.944 1.00 71.57 ? 472 THR A OG1 1 ATOM 4406 C CG2 . THR A 1 471 ? 28.932 34.541 43.995 1.00 70.77 ? 472 THR A CG2 1 ATOM 4407 O OXT . THR A 1 471 ? 31.273 33.463 41.823 1.00 72.85 ? 472 THR A OXT 1 ATOM 4408 H H . THR A 1 471 ? 29.075 30.496 42.663 1.00 65.33 ? 472 THR A H 1 ATOM 4409 H HG1 . THR A 1 471 ? 26.852 33.175 43.131 1.00 71.57 ? 472 THR A HG1 1 HETATM 4410 C C1 A MAN B 2 . ? 42.030 -7.340 23.160 0.55 17.13 ? 473 MAN A C1 1 HETATM 4411 C C1 B MAN B 2 . ? 43.022 -6.836 24.386 0.45 20.64 ? 473 MAN A C1 1 HETATM 4412 C C2 A MAN B 2 . ? 40.887 -7.962 23.966 0.55 19.03 ? 473 MAN A C2 1 HETATM 4413 C C2 B MAN B 2 . ? 42.026 -7.647 25.228 0.45 21.66 ? 473 MAN A C2 1 HETATM 4414 C C3 A MAN B 2 . ? 41.219 -7.944 25.457 0.55 18.54 ? 473 MAN A C3 1 HETATM 4415 C C3 B MAN B 2 . ? 41.612 -6.892 26.493 0.45 22.75 ? 473 MAN A C3 1 HETATM 4416 C C4 A MAN B 2 . ? 42.603 -8.552 25.715 0.55 20.77 ? 473 MAN A C4 1 HETATM 4417 C C4 B MAN B 2 . ? 42.838 -6.405 27.258 0.45 24.71 ? 473 MAN A C4 1 HETATM 4418 C C5 A MAN B 2 . ? 43.679 -7.966 24.790 0.55 21.22 ? 473 MAN A C5 1 HETATM 4419 C C5 B MAN B 2 . ? 43.716 -5.576 26.326 0.45 25.40 ? 473 MAN A C5 1 HETATM 4420 C C6 A MAN B 2 . ? 44.993 -8.736 24.887 0.55 22.61 ? 473 MAN A C6 1 HETATM 4421 C C6 B MAN B 2 . ? 44.987 -5.061 26.984 0.45 26.47 ? 473 MAN A C6 1 HETATM 4422 O O2 A MAN B 2 . ? 40.650 -9.303 23.552 0.55 20.05 ? 473 MAN A O2 1 HETATM 4423 O O2 B MAN B 2 . ? 42.607 -8.892 25.595 0.45 23.32 ? 473 MAN A O2 1 HETATM 4424 O O3 A MAN B 2 . ? 40.241 -8.705 26.152 0.55 19.46 ? 473 MAN A O3 1 HETATM 4425 O O3 B MAN B 2 . ? 40.855 -7.753 27.328 0.45 23.57 ? 473 MAN A O3 1 HETATM 4426 O O4 A MAN B 2 . ? 42.974 -8.320 27.065 0.55 20.61 ? 473 MAN A O4 1 HETATM 4427 O O4 B MAN B 2 . ? 42.424 -5.623 28.370 0.45 25.23 ? 473 MAN A O4 1 HETATM 4428 O O5 A MAN B 2 . ? 43.242 -8.033 23.416 0.55 19.40 ? 473 MAN A O5 1 HETATM 4429 O O5 B MAN B 2 . ? 44.108 -6.380 25.189 0.45 22.52 ? 473 MAN A O5 1 HETATM 4430 O O6 A MAN B 2 . ? 45.852 -8.444 23.793 0.55 25.80 ? 473 MAN A O6 1 HETATM 4431 O O6 B MAN B 2 . ? 46.094 -5.906 26.701 0.45 28.27 ? 473 MAN A O6 1 HETATM 4432 H H1 A MAN B 2 . ? 41.855 -7.456 22.071 0.55 17.13 ? 473 MAN A H1 1 HETATM 4433 H H1 B MAN B 2 . ? 43.471 -7.472 23.595 0.45 20.64 ? 473 MAN A H1 1 HETATM 4434 H H2 A MAN B 2 . ? 39.965 -7.376 23.809 0.55 20.05 ? 473 MAN A H2 1 HETATM 4435 H H2 B MAN B 2 . ? 41.111 -7.839 24.640 0.45 23.32 ? 473 MAN A H2 1 HETATM 4436 H H3 A MAN B 2 . ? 41.217 -6.902 25.823 0.55 18.54 ? 473 MAN A H3 1 HETATM 4437 H H3 B MAN B 2 . ? 41.016 -6.013 26.214 0.45 22.75 ? 473 MAN A H3 1 HETATM 4438 H H4 A MAN B 2 . ? 42.543 -9.641 25.544 0.55 20.77 ? 473 MAN A H4 1 HETATM 4439 H H4 B MAN B 2 . ? 43.414 -7.272 27.622 0.45 24.71 ? 473 MAN A H4 1 HETATM 4440 H H5 A MAN B 2 . ? 43.878 -6.910 25.033 0.55 21.22 ? 473 MAN A H5 1 HETATM 4441 H H5 B MAN B 2 . ? 43.093 -4.713 26.048 0.45 25.40 ? 473 MAN A H5 1 HETATM 4442 H H61 A MAN B 2 . ? 44.800 -9.818 24.911 0.55 22.61 ? 473 MAN A H61 1 HETATM 4443 H H61 B MAN B 2 . ? 44.875 -4.984 28.075 0.45 26.47 ? 473 MAN A H61 1 HETATM 4444 H H62 A MAN B 2 . ? 45.477 -8.483 25.845 0.55 22.61 ? 473 MAN A H62 1 HETATM 4445 H H62 B MAN B 2 . ? 45.201 -4.042 26.630 0.45 26.47 ? 473 MAN A H62 1 HETATM 4446 H HO2 A MAN B 2 . ? 40.304 -9.291 22.655 0.55 20.05 ? 473 MAN A HO2 1 HETATM 4447 H HO2 B MAN B 2 . ? 43.490 -8.730 25.943 0.45 23.32 ? 473 MAN A HO2 1 HETATM 4448 H HO3 A MAN B 2 . ? 40.087 -9.460 25.562 0.55 19.46 ? 473 MAN A HO3 1 HETATM 4449 H HO3 B MAN B 2 . ? 41.385 -8.563 27.422 0.45 23.57 ? 473 MAN A HO3 1 HETATM 4450 H HO4 A MAN B 2 . ? 42.363 -8.822 27.628 0.55 20.61 ? 473 MAN A HO4 1 HETATM 4451 H HO4 B MAN B 2 . ? 41.809 -6.192 28.874 0.45 25.23 ? 473 MAN A HO4 1 HETATM 4452 H HO6 A MAN B 2 . ? 45.280 -8.383 23.020 0.55 25.80 ? 473 MAN A HO6 1 HETATM 4453 H HO6 B MAN B 2 . ? 45.934 -6.355 25.863 0.45 28.27 ? 473 MAN A HO6 1 HETATM 4454 C C1 A MAN C 2 . ? 30.317 -4.683 25.175 0.50 17.70 ? 474 MAN A C1 1 HETATM 4455 C C1 B MAN C 2 . ? 30.379 -4.877 25.139 0.50 14.15 ? 474 MAN A C1 1 HETATM 4456 C C2 A MAN C 2 . ? 28.951 -4.005 25.229 0.50 17.76 ? 474 MAN A C2 1 HETATM 4457 C C2 B MAN C 2 . ? 29.018 -4.211 24.941 0.50 13.56 ? 474 MAN A C2 1 HETATM 4458 C C3 A MAN C 2 . ? 28.337 -4.178 26.607 0.50 18.01 ? 474 MAN A C3 1 HETATM 4459 C C3 B MAN C 2 . ? 28.347 -3.973 26.287 0.50 13.34 ? 474 MAN A C3 1 HETATM 4460 C C4 A MAN C 2 . ? 28.293 -5.668 26.970 0.50 18.39 ? 474 MAN A C4 1 HETATM 4461 C C4 B MAN C 2 . ? 28.279 -5.286 27.074 0.50 14.04 ? 474 MAN A C4 1 HETATM 4462 C C5 A MAN C 2 . ? 29.673 -6.323 26.808 0.50 19.21 ? 474 MAN A C5 1 HETATM 4463 C C5 B MAN C 2 . ? 29.677 -5.910 27.183 0.50 14.92 ? 474 MAN A C5 1 HETATM 4464 C C6 A MAN C 2 . ? 29.625 -7.833 26.964 0.50 20.62 ? 474 MAN A C6 1 HETATM 4465 C C6 B MAN C 2 . ? 29.713 -7.271 27.853 0.50 17.54 ? 474 MAN A C6 1 HETATM 4466 O O2 A MAN C 2 . ? 28.084 -4.576 24.265 0.50 18.50 ? 474 MAN A O2 1 HETATM 4467 O O2 B MAN C 2 . ? 28.186 -5.039 24.145 0.50 14.39 ? 474 MAN A O2 1 HETATM 4468 O O3 A MAN C 2 . ? 27.016 -3.661 26.580 0.50 17.81 ? 474 MAN A O3 1 HETATM 4469 O O3 B MAN C 2 . ? 27.034 -3.481 26.071 0.50 12.58 ? 474 MAN A O3 1 HETATM 4470 O O4 A MAN C 2 . ? 27.843 -5.818 28.310 0.50 18.55 ? 474 MAN A O4 1 HETATM 4471 O O4 B MAN C 2 . ? 27.745 -5.036 28.367 0.50 14.97 ? 474 MAN A O4 1 HETATM 4472 O O5 A MAN C 2 . ? 30.195 -6.061 25.492 0.50 18.77 ? 474 MAN A O5 1 HETATM 4473 O O5 B MAN C 2 . ? 30.236 -6.086 25.868 0.50 14.30 ? 474 MAN A O5 1 HETATM 4474 O O6 A MAN C 2 . ? 29.025 -8.445 25.831 0.50 22.99 ? 474 MAN A O6 1 HETATM 4475 O O6 B MAN C 2 . ? 30.987 -7.887 27.677 0.50 17.30 ? 474 MAN A O6 1 HETATM 4476 H H1 A MAN C 2 . ? 30.746 -4.645 24.154 0.50 17.70 ? 474 MAN A H1 1 HETATM 4477 H H1 B MAN C 2 . ? 30.836 -5.142 24.165 0.50 14.15 ? 474 MAN A H1 1 HETATM 4478 H H2 A MAN C 2 . ? 29.088 -2.933 25.013 0.50 18.50 ? 474 MAN A H2 1 HETATM 4479 H H2 B MAN C 2 . ? 29.143 -3.237 24.439 0.50 14.39 ? 474 MAN A H2 1 HETATM 4480 H H3 A MAN C 2 . ? 28.944 -3.644 27.360 0.50 18.01 ? 474 MAN A H3 1 HETATM 4481 H H3 B MAN C 2 . ? 28.936 -3.241 26.870 0.50 13.34 ? 474 MAN A H3 1 HETATM 4482 H H4 A MAN C 2 . ? 27.595 -6.190 26.297 0.50 18.39 ? 474 MAN A H4 1 HETATM 4483 H H4 B MAN C 2 . ? 27.609 -5.975 26.535 0.50 14.04 ? 474 MAN A H4 1 HETATM 4484 H H5 A MAN C 2 . ? 30.329 -5.911 27.593 0.50 19.21 ? 474 MAN A H5 1 HETATM 4485 H H5 B MAN C 2 . ? 30.336 -5.240 27.768 0.50 14.92 ? 474 MAN A H5 1 HETATM 4486 H H61 A MAN C 2 . ? 29.065 -8.101 27.879 0.50 20.62 ? 474 MAN A H61 1 HETATM 4487 H H61 B MAN C 2 . ? 29.475 -7.123 28.916 0.50 17.54 ? 474 MAN A H61 1 HETATM 4488 H H62 A MAN C 2 . ? 30.646 -8.226 27.077 0.50 20.62 ? 474 MAN A H62 1 HETATM 4489 H H62 B MAN C 2 . ? 28.927 -7.914 27.429 0.50 17.54 ? 474 MAN A H62 1 HETATM 4490 H HO2 A MAN C 2 . ? 28.465 -4.471 23.375 0.50 18.50 ? 474 MAN A HO2 1 HETATM 4491 H HO2 B MAN C 2 . ? 28.428 -4.860 23.214 0.50 14.39 ? 474 MAN A HO2 1 HETATM 4492 H HO3 A MAN C 2 . ? 26.664 -4.082 25.776 0.50 17.81 ? 474 MAN A HO3 1 HETATM 4493 H HO3 B MAN C 2 . ? 26.701 -4.030 25.346 0.50 12.58 ? 474 MAN A HO3 1 HETATM 4494 H HO4 A MAN C 2 . ? 28.502 -5.417 28.911 0.50 18.55 ? 474 MAN A HO4 1 HETATM 4495 H HO4 B MAN C 2 . ? 28.460 -4.681 28.936 0.50 14.97 ? 474 MAN A HO4 1 HETATM 4496 H HO6 A MAN C 2 . ? 28.567 -9.251 26.119 0.50 22.99 ? 474 MAN A HO6 1 HETATM 4497 H HO6 B MAN C 2 . ? 31.431 -7.376 26.986 0.50 17.30 ? 474 MAN A HO6 1 HETATM 4498 C C1 . MAN D 2 . ? 53.928 11.123 31.535 1.00 18.16 ? 475 MAN A C1 1 HETATM 4499 C C2 . MAN D 2 . ? 55.188 11.763 32.112 1.00 21.01 ? 475 MAN A C2 1 HETATM 4500 C C3 . MAN D 2 . ? 56.229 10.675 32.356 1.00 21.59 ? 475 MAN A C3 1 HETATM 4501 C C4 . MAN D 2 . ? 55.652 9.597 33.265 1.00 21.45 ? 475 MAN A C4 1 HETATM 4502 C C5 . MAN D 2 . ? 54.339 9.053 32.685 1.00 19.78 ? 475 MAN A C5 1 HETATM 4503 C C6 . MAN D 2 . ? 53.630 8.068 33.606 1.00 18.35 ? 475 MAN A C6 1 HETATM 4504 O O2 . MAN D 2 . ? 54.879 12.415 33.340 1.00 21.35 ? 475 MAN A O2 1 HETATM 4505 O O3 . MAN D 2 . ? 57.384 11.235 32.970 1.00 23.96 ? 475 MAN A O3 1 HETATM 4506 O O4 . MAN D 2 . ? 56.600 8.545 33.392 1.00 24.68 ? 475 MAN A O4 1 HETATM 4507 O O5 . MAN D 2 . ? 53.424 10.139 32.432 1.00 17.52 ? 475 MAN A O5 1 HETATM 4508 O O6 . MAN D 2 . ? 52.549 7.432 32.941 1.00 15.35 ? 475 MAN A O6 1 HETATM 4509 H H1 . MAN D 2 . ? 53.142 11.898 31.405 1.00 18.16 ? 475 MAN A H1 1 HETATM 4510 H H2 . MAN D 2 . ? 55.606 12.490 31.398 1.00 21.35 ? 475 MAN A H2 1 HETATM 4511 H H3 . MAN D 2 . ? 56.499 10.218 31.389 1.00 21.59 ? 475 MAN A H3 1 HETATM 4512 H H4 . MAN D 2 . ? 55.474 10.032 34.264 1.00 21.45 ? 475 MAN A H4 1 HETATM 4513 H H5 . MAN D 2 . ? 54.597 8.531 31.750 1.00 19.78 ? 475 MAN A H5 1 HETATM 4514 H H61 . MAN D 2 . ? 53.321 8.565 34.536 1.00 18.35 ? 475 MAN A H61 1 HETATM 4515 H H62 . MAN D 2 . ? 54.352 7.295 33.911 1.00 18.35 ? 475 MAN A H62 1 HETATM 4516 H HO2 . MAN D 2 . ? 54.342 11.795 33.858 1.00 21.35 ? 475 MAN A HO2 1 HETATM 4517 H HO3 . MAN D 2 . ? 57.092 11.800 33.703 1.00 23.96 ? 475 MAN A HO3 1 HETATM 4518 H HO4 . MAN D 2 . ? 57.460 8.987 33.461 1.00 24.68 ? 475 MAN A HO4 1 HETATM 4519 H HO6 . MAN D 2 . ? 52.129 6.790 33.547 1.00 15.35 ? 475 MAN A HO6 1 HETATM 4520 C C1 . MAN E 2 . ? 54.688 3.145 32.178 1.00 29.76 ? 476 MAN A C1 1 HETATM 4521 C C2 . MAN E 2 . ? 55.433 1.836 31.902 1.00 32.07 ? 476 MAN A C2 1 HETATM 4522 C C3 . MAN E 2 . ? 54.689 1.007 30.857 1.00 33.64 ? 476 MAN A C3 1 HETATM 4523 C C4 . MAN E 2 . ? 53.249 0.786 31.305 1.00 32.58 ? 476 MAN A C4 1 HETATM 4524 C C5 . MAN E 2 . ? 52.568 2.140 31.527 1.00 31.86 ? 476 MAN A C5 1 HETATM 4525 C C6 . MAN E 2 . ? 51.132 2.008 32.040 1.00 32.21 ? 476 MAN A C6 1 HETATM 4526 O O2 . MAN E 2 . ? 55.572 1.088 33.100 1.00 35.34 ? 476 MAN A O2 1 HETATM 4527 O O3 . MAN E 2 . ? 55.336 -0.247 30.679 1.00 35.61 ? 476 MAN A O3 1 HETATM 4528 O O4 . MAN E 2 . ? 52.561 0.036 30.314 1.00 35.39 ? 476 MAN A O4 1 HETATM 4529 O O5 . MAN E 2 . ? 53.313 2.904 32.508 1.00 30.43 ? 476 MAN A O5 1 HETATM 4530 O O6 . MAN E 2 . ? 50.490 3.277 32.156 1.00 32.74 ? 476 MAN A O6 1 HETATM 4531 H H1 . MAN E 2 . ? 55.120 3.670 33.051 1.00 29.76 ? 476 MAN A H1 1 HETATM 4532 H H2 . MAN E 2 . ? 56.441 2.079 31.504 1.00 35.34 ? 476 MAN A H2 1 HETATM 4533 H H3 . MAN E 2 . ? 54.680 1.551 29.899 1.00 33.64 ? 476 MAN A H3 1 HETATM 4534 H H4 . MAN E 2 . ? 53.267 0.217 32.246 1.00 32.58 ? 476 MAN A H4 1 HETATM 4535 H H5 . MAN E 2 . ? 52.543 2.681 30.567 1.00 31.86 ? 476 MAN A H5 1 HETATM 4536 H H61 . MAN E 2 . ? 51.134 1.474 33.008 1.00 32.21 ? 476 MAN A H61 1 HETATM 4537 H H62 . MAN E 2 . ? 50.558 1.387 31.333 1.00 32.21 ? 476 MAN A H62 1 HETATM 4538 H HO2 . MAN E 2 . ? 55.980 1.644 33.765 1.00 35.34 ? 476 MAN A HO2 1 HETATM 4539 H HO3 . MAN E 2 . ? 55.550 -0.558 31.569 1.00 35.61 ? 476 MAN A HO3 1 HETATM 4540 H HO4 . MAN E 2 . ? 53.217 -0.620 30.032 1.00 35.39 ? 476 MAN A HO4 1 HETATM 4541 H HO6 . MAN E 2 . ? 49.542 3.173 31.954 1.00 32.74 ? 476 MAN A HO6 1 HETATM 4542 C C1 . MAN F 2 . ? 36.327 -5.066 21.602 1.00 29.32 ? 477 MAN A C1 1 HETATM 4543 C C2 . MAN F 2 . ? 35.318 -5.926 22.378 1.00 34.22 ? 477 MAN A C2 1 HETATM 4544 C C3 . MAN F 2 . ? 35.966 -7.202 22.912 1.00 36.40 ? 477 MAN A C3 1 HETATM 4545 C C4 . MAN F 2 . ? 36.718 -7.928 21.806 1.00 37.02 ? 477 MAN A C4 1 HETATM 4546 C C5 . MAN F 2 . ? 37.680 -6.970 21.116 1.00 38.87 ? 477 MAN A C5 1 HETATM 4547 C C6 . MAN F 2 . ? 38.463 -7.588 19.973 1.00 41.62 ? 477 MAN A C6 1 HETATM 4548 O O2 . MAN F 2 . ? 34.219 -6.279 21.552 1.00 37.28 ? 477 MAN A O2 1 HETATM 4549 O O3 . MAN F 2 . ? 34.960 -8.065 23.415 1.00 38.96 ? 477 MAN A O3 1 HETATM 4550 O O4 . MAN F 2 . ? 37.445 -9.001 22.382 1.00 40.33 ? 477 MAN A O4 1 HETATM 4551 O O5 . MAN F 2 . ? 36.948 -5.846 20.593 1.00 34.95 ? 477 MAN A O5 1 HETATM 4552 O O6 . MAN F 2 . ? 39.605 -6.799 19.651 1.00 46.33 ? 477 MAN A O6 1 HETATM 4553 H H1 . MAN F 2 . ? 35.831 -4.205 21.107 1.00 29.32 ? 477 MAN A H1 1 HETATM 4554 H H2 . MAN F 2 . ? 34.954 -5.363 23.248 1.00 37.28 ? 477 MAN A H2 1 HETATM 4555 H H3 . MAN F 2 . ? 36.660 -6.948 23.733 1.00 36.40 ? 477 MAN A H3 1 HETATM 4556 H H4 . MAN F 2 . ? 35.982 -8.313 21.077 1.00 37.02 ? 477 MAN A H4 1 HETATM 4557 H H5 . MAN F 2 . ? 38.407 -6.663 21.883 1.00 38.87 ? 477 MAN A H5 1 HETATM 4558 H H61 . MAN F 2 . ? 37.806 -7.708 19.096 1.00 41.62 ? 477 MAN A H61 1 HETATM 4559 H H62 . MAN F 2 . ? 38.785 -8.605 20.249 1.00 41.62 ? 477 MAN A H62 1 HETATM 4560 H HO2 . MAN F 2 . ? 33.932 -7.141 21.899 1.00 37.28 ? 477 MAN A HO2 1 HETATM 4561 H HO3 . MAN F 2 . ? 34.476 -7.668 24.161 1.00 38.96 ? 477 MAN A HO3 1 HETATM 4562 H HO4 . MAN F 2 . ? 36.816 -9.395 23.007 1.00 40.33 ? 477 MAN A HO4 1 HETATM 4563 H HO6 . MAN F 2 . ? 39.328 -6.056 19.083 1.00 46.33 ? 477 MAN A HO6 1 HETATM 4564 C C1 . MAN G 2 . ? 26.736 -2.347 32.594 1.00 19.30 ? 478 MAN A C1 1 HETATM 4565 C C2 . MAN G 2 . ? 25.280 -2.857 32.438 1.00 18.81 ? 478 MAN A C2 1 HETATM 4566 C C3 . MAN G 2 . ? 24.282 -1.847 33.033 1.00 19.63 ? 478 MAN A C3 1 HETATM 4567 C C4 . MAN G 2 . ? 24.690 -1.449 34.457 1.00 17.30 ? 478 MAN A C4 1 HETATM 4568 C C5 . MAN G 2 . ? 26.116 -0.897 34.395 1.00 19.95 ? 478 MAN A C5 1 HETATM 4569 C C6 . MAN G 2 . ? 26.690 -0.291 35.678 1.00 19.30 ? 478 MAN A C6 1 HETATM 4570 O O2 . MAN G 2 . ? 25.109 -4.120 33.058 1.00 17.48 ? 478 MAN A O2 1 HETATM 4571 O O3 . MAN G 2 . ? 22.974 -2.393 33.049 1.00 20.08 ? 478 MAN A O3 1 HETATM 4572 O O4 . MAN G 2 . ? 23.789 -0.470 34.954 1.00 14.49 ? 478 MAN A O4 1 HETATM 4573 O O5 . MAN G 2 . ? 26.996 -1.950 33.943 1.00 20.09 ? 478 MAN A O5 1 HETATM 4574 O O6 . MAN G 2 . ? 27.041 -1.288 36.619 1.00 25.10 ? 478 MAN A O6 1 HETATM 4575 H H1 . MAN G 2 . ? 27.458 -3.147 32.343 1.00 19.30 ? 478 MAN A H1 1 HETATM 4576 H H2 . MAN G 2 . ? 25.073 -2.970 31.360 1.00 17.48 ? 478 MAN A H2 1 HETATM 4577 H H3 . MAN G 2 . ? 24.269 -0.953 32.390 1.00 19.63 ? 478 MAN A H3 1 HETATM 4578 H H4 . MAN G 2 . ? 24.695 -2.334 35.115 1.00 17.30 ? 478 MAN A H4 1 HETATM 4579 H H5 . MAN G 2 . ? 26.066 -0.057 33.681 1.00 19.95 ? 478 MAN A H5 1 HETATM 4580 H H61 . MAN G 2 . ? 25.969 0.409 36.110 1.00 19.30 ? 478 MAN A H61 1 HETATM 4581 H H62 . MAN G 2 . ? 27.581 0.305 35.424 1.00 19.30 ? 478 MAN A H62 1 HETATM 4582 H HO2 . MAN G 2 . ? 25.820 -4.689 32.749 1.00 17.48 ? 478 MAN A HO2 1 HETATM 4583 H HO3 . MAN G 2 . ? 22.438 -1.698 33.431 1.00 20.08 ? 478 MAN A HO3 1 HETATM 4584 H HO4 . MAN G 2 . ? 22.956 -0.935 35.103 1.00 14.49 ? 478 MAN A HO4 1 HETATM 4585 H HO6 . MAN G 2 . ? 27.399 -1.998 36.062 1.00 25.10 ? 478 MAN A HO6 1 HETATM 4586 C C1 . MAN H 2 . ? 21.373 2.082 33.901 1.00 8.85 ? 479 MAN A C1 1 HETATM 4587 C C2 . MAN H 2 . ? 19.970 1.817 34.420 1.00 7.29 ? 479 MAN A C2 1 HETATM 4588 C C3 . MAN H 2 . ? 19.099 3.055 34.217 1.00 7.92 ? 479 MAN A C3 1 HETATM 4589 C C4 . MAN H 2 . ? 19.760 4.285 34.847 1.00 9.08 ? 479 MAN A C4 1 HETATM 4590 C C5 . MAN H 2 . ? 21.191 4.437 34.341 1.00 8.63 ? 479 MAN A C5 1 HETATM 4591 C C6 . MAN H 2 . ? 21.959 5.554 35.037 1.00 8.36 ? 479 MAN A C6 1 HETATM 4592 O O2 . MAN H 2 . ? 20.040 1.496 35.800 1.00 4.02 ? 479 MAN A O2 1 HETATM 4593 O O3 . MAN H 2 . ? 17.828 2.842 34.811 1.00 7.59 ? 479 MAN A O3 1 HETATM 4594 O O4 . MAN H 2 . ? 19.012 5.442 34.511 1.00 10.61 ? 479 MAN A O4 1 HETATM 4595 O O5 . MAN H 2 . ? 21.920 3.213 34.558 1.00 9.12 ? 479 MAN A O5 1 HETATM 4596 O O6 . MAN H 2 . ? 22.042 5.340 36.444 1.00 11.60 ? 479 MAN A O6 1 HETATM 4597 H H1 . MAN H 2 . ? 22.053 1.238 34.127 1.00 8.85 ? 479 MAN A H1 1 HETATM 4598 H H2 . MAN H 2 . ? 19.515 1.011 33.833 1.00 4.02 ? 479 MAN A H2 1 HETATM 4599 H H3 . MAN H 2 . ? 18.961 3.217 33.127 1.00 7.92 ? 479 MAN A H3 1 HETATM 4600 H H4 . MAN H 2 . ? 19.781 4.187 35.942 1.00 9.08 ? 479 MAN A H4 1 HETATM 4601 H H5 . MAN H 2 . ? 21.167 4.664 33.256 1.00 8.63 ? 479 MAN A H5 1 HETATM 4602 H H61 . MAN H 2 . ? 21.461 6.513 34.839 1.00 8.36 ? 479 MAN A H61 1 HETATM 4603 H H62 . MAN H 2 . ? 22.962 5.615 34.588 1.00 8.36 ? 479 MAN A H62 1 HETATM 4604 H HO2 . MAN H 2 . ? 20.599 2.183 36.168 1.00 4.02 ? 479 MAN A HO2 1 HETATM 4605 H HO3 . MAN H 2 . ? 17.947 2.803 35.774 1.00 7.59 ? 479 MAN A HO3 1 HETATM 4606 H HO4 . MAN H 2 . ? 18.903 5.449 33.542 1.00 10.61 ? 479 MAN A HO4 1 HETATM 4607 H HO6 . MAN H 2 . ? 22.940 5.534 36.761 1.00 11.60 ? 479 MAN A HO6 1 HETATM 4608 C C1 . MAN I 2 . ? 18.311 6.801 27.178 1.00 10.47 ? 480 MAN A C1 1 HETATM 4609 C C2 . MAN I 2 . ? 17.648 8.164 27.064 1.00 9.72 ? 480 MAN A C2 1 HETATM 4610 C C3 . MAN I 2 . ? 16.130 7.990 26.997 1.00 15.15 ? 480 MAN A C3 1 HETATM 4611 C C4 . MAN I 2 . ? 15.784 7.067 25.847 1.00 16.79 ? 480 MAN A C4 1 HETATM 4612 C C5 . MAN I 2 . ? 16.509 5.740 25.987 1.00 17.57 ? 480 MAN A C5 1 HETATM 4613 C C6 . MAN I 2 . ? 16.278 4.865 24.765 1.00 19.86 ? 480 MAN A C6 1 HETATM 4614 O O2 . MAN I 2 . ? 18.108 8.817 25.896 1.00 7.10 ? 480 MAN A O2 1 HETATM 4615 O O3 . MAN I 2 . ? 15.506 9.247 26.769 1.00 16.31 ? 480 MAN A O3 1 HETATM 4616 O O4 . MAN I 2 . ? 14.386 6.853 25.827 1.00 21.56 ? 480 MAN A O4 1 HETATM 4617 O O5 . MAN I 2 . ? 17.933 5.970 26.090 1.00 13.17 ? 480 MAN A O5 1 HETATM 4618 O O6 . MAN I 2 . ? 17.027 3.660 24.842 1.00 26.06 ? 480 MAN A O6 1 HETATM 4619 H H1 . MAN I 2 . ? 19.412 6.900 27.110 1.00 10.47 ? 480 MAN A H1 1 HETATM 4620 H H2 . MAN I 2 . ? 17.946 8.750 27.944 1.00 7.10 ? 480 MAN A H2 1 HETATM 4621 H H3 . MAN I 2 . ? 15.766 7.566 27.948 1.00 15.15 ? 480 MAN A H3 1 HETATM 4622 H H4 . MAN I 2 . ? 16.092 7.552 24.911 1.00 16.79 ? 480 MAN A H4 1 HETATM 4623 H H5 . MAN I 2 . ? 16.152 5.203 26.885 1.00 17.57 ? 480 MAN A H5 1 HETATM 4624 H H61 . MAN I 2 . ? 16.557 5.411 23.850 1.00 19.86 ? 480 MAN A H61 1 HETATM 4625 H H62 . MAN I 2 . ? 15.207 4.628 24.682 1.00 19.86 ? 480 MAN A H62 1 HETATM 4626 H HO2 . MAN I 2 . ? 18.099 9.758 26.126 1.00 7.10 ? 480 MAN A HO2 1 HETATM 4627 H HO3 . MAN I 2 . ? 15.699 9.829 27.529 1.00 16.31 ? 480 MAN A HO3 1 HETATM 4628 H HO4 . MAN I 2 . ? 14.011 7.742 25.910 1.00 21.56 ? 480 MAN A HO4 1 HETATM 4629 H HO6 . MAN I 2 . ? 17.801 3.833 25.398 1.00 26.06 ? 480 MAN A HO6 1 HETATM 4630 C C1 . MAN J 2 . ? 15.770 7.309 32.472 1.00 21.36 ? 481 MAN A C1 1 HETATM 4631 C C2 . MAN J 2 . ? 15.978 6.344 31.317 1.00 22.78 ? 481 MAN A C2 1 HETATM 4632 C C3 . MAN J 2 . ? 14.665 6.145 30.575 1.00 24.65 ? 481 MAN A C3 1 HETATM 4633 C C4 . MAN J 2 . ? 13.571 5.711 31.551 1.00 26.84 ? 481 MAN A C4 1 HETATM 4634 C C5 . MAN J 2 . ? 13.469 6.674 32.727 1.00 25.85 ? 481 MAN A C5 1 HETATM 4635 C C6 . MAN J 2 . ? 12.508 6.155 33.791 1.00 29.46 ? 481 MAN A C6 1 HETATM 4636 O O2 . MAN J 2 . ? 16.437 5.094 31.808 1.00 19.51 ? 481 MAN A O2 1 HETATM 4637 O O3 . MAN J 2 . ? 14.843 5.130 29.602 1.00 28.06 ? 481 MAN A O3 1 HETATM 4638 O O4 . MAN J 2 . ? 12.322 5.640 30.877 1.00 29.67 ? 481 MAN A O4 1 HETATM 4639 O O5 . MAN J 2 . ? 14.761 6.817 33.343 1.00 23.47 ? 481 MAN A O5 1 HETATM 4640 O O6 . MAN J 2 . ? 12.314 7.111 34.829 1.00 35.67 ? 481 MAN A O6 1 HETATM 4641 H H1 . MAN J 2 . ? 16.689 7.390 33.091 1.00 21.36 ? 481 MAN A H1 1 HETATM 4642 H H2 . MAN J 2 . ? 16.711 6.763 30.615 1.00 19.51 ? 481 MAN A H2 1 HETATM 4643 H H3 . MAN J 2 . ? 14.348 7.086 30.091 1.00 24.65 ? 481 MAN A H3 1 HETATM 4644 H H4 . MAN J 2 . ? 13.831 4.707 31.928 1.00 26.84 ? 481 MAN A H4 1 HETATM 4645 H H5 . MAN J 2 . ? 13.099 7.648 32.366 1.00 25.85 ? 481 MAN A H5 1 HETATM 4646 H H61 . MAN J 2 . ? 12.891 5.211 34.213 1.00 29.46 ? 481 MAN A H61 1 HETATM 4647 H H62 . MAN J 2 . ? 11.540 5.923 33.318 1.00 29.46 ? 481 MAN A H62 1 HETATM 4648 H HO2 . MAN J 2 . ? 15.990 4.883 32.640 1.00 19.51 ? 481 MAN A HO2 1 HETATM 4649 H HO3 . MAN J 2 . ? 15.511 4.576 30.043 1.00 28.06 ? 481 MAN A HO3 1 HETATM 4650 H HO4 . MAN J 2 . ? 12.495 5.182 30.046 1.00 29.67 ? 481 MAN A HO4 1 HETATM 4651 H HO6 . MAN J 2 . ? 11.458 6.932 35.242 1.00 35.67 ? 481 MAN A HO6 1 HETATM 4652 C C1 . MAN K 2 . ? 14.947 11.301 37.958 1.00 56.88 ? 482 MAN A C1 1 HETATM 4653 C C2 . MAN K 2 . ? 15.592 10.202 37.074 1.00 59.11 ? 482 MAN A C2 1 HETATM 4654 C C3 . MAN K 2 . ? 14.632 9.042 36.738 1.00 60.86 ? 482 MAN A C3 1 HETATM 4655 C C4 . MAN K 2 . ? 13.821 8.597 37.956 1.00 61.53 ? 482 MAN A C4 1 HETATM 4656 C C5 . MAN K 2 . ? 13.172 9.803 38.642 1.00 62.17 ? 482 MAN A C5 1 HETATM 4657 C C6 . MAN K 2 . ? 12.406 9.425 39.909 1.00 63.69 ? 482 MAN A C6 1 HETATM 4658 O O2 . MAN K 2 . ? 16.772 9.686 37.684 1.00 60.78 ? 482 MAN A O2 1 HETATM 4659 O O3 . MAN K 2 . ? 15.384 7.928 36.263 1.00 61.63 ? 482 MAN A O3 1 HETATM 4660 O O4 . MAN K 2 . ? 12.823 7.674 37.540 1.00 62.39 ? 482 MAN A O4 1 HETATM 4661 O O5 . MAN K 2 . ? 14.195 10.743 39.037 1.00 59.53 ? 482 MAN A O5 1 HETATM 4662 O O6 . MAN K 2 . ? 11.330 8.533 39.632 1.00 66.98 ? 482 MAN A O6 1 HETATM 4663 H H1 . MAN K 2 . ? 15.748 11.890 38.457 1.00 56.88 ? 482 MAN A H1 1 HETATM 4664 H H2 . MAN K 2 . ? 15.859 10.649 36.109 1.00 60.78 ? 482 MAN A H2 1 HETATM 4665 H H3 . MAN K 2 . ? 13.913 9.363 35.961 1.00 60.86 ? 482 MAN A H3 1 HETATM 4666 H H4 . MAN K 2 . ? 14.515 8.105 38.656 1.00 61.53 ? 482 MAN A H4 1 HETATM 4667 H H5 . MAN K 2 . ? 12.484 10.313 37.942 1.00 62.17 ? 482 MAN A H5 1 HETATM 4668 H H61 . MAN K 2 . ? 12.010 10.343 40.371 1.00 63.69 ? 482 MAN A H61 1 HETATM 4669 H H62 . MAN K 2 . ? 13.096 8.968 40.634 1.00 63.69 ? 482 MAN A H62 1 HETATM 4670 H HO2 . MAN K 2 . ? 17.459 10.364 37.631 1.00 60.78 ? 482 MAN A HO2 1 HETATM 4671 H HO3 . MAN K 2 . ? 16.221 7.966 36.756 1.00 61.63 ? 482 MAN A HO3 1 HETATM 4672 H HO4 . MAN K 2 . ? 13.103 7.387 36.650 1.00 62.39 ? 482 MAN A HO4 1 HETATM 4673 H HO6 . MAN K 2 . ? 11.537 8.046 38.821 1.00 66.98 ? 482 MAN A HO6 1 HETATM 4674 C C1 . NAG L 3 . ? 44.614 -1.369 16.147 1.00 6.54 ? 483 NAG A C1 1 HETATM 4675 C C2 . NAG L 3 . ? 44.999 -0.533 14.921 1.00 7.47 ? 483 NAG A C2 1 HETATM 4676 C C3 . NAG L 3 . ? 46.243 -1.108 14.278 1.00 7.51 ? 483 NAG A C3 1 HETATM 4677 C C4 . NAG L 3 . ? 47.362 -1.187 15.304 1.00 6.93 ? 483 NAG A C4 1 HETATM 4678 C C5 . NAG L 3 . ? 46.894 -1.998 16.500 1.00 7.92 ? 483 NAG A C5 1 HETATM 4679 C C6 . NAG L 3 . ? 47.951 -2.070 17.598 1.00 6.43 ? 483 NAG A C6 1 HETATM 4680 C C7 . NAG L 3 . ? 43.032 0.471 13.950 1.00 8.30 ? 483 NAG A C7 1 HETATM 4681 C C8 . NAG L 3 . ? 41.996 0.456 12.832 1.00 3.84 ? 483 NAG A C8 1 HETATM 4682 N N2 . NAG L 3 . ? 43.943 -0.495 13.923 1.00 7.35 ? 483 NAG A N2 1 HETATM 4683 O O3 . NAG L 3 . ? 46.625 -0.293 13.187 1.00 5.61 ? 483 NAG A O3 1 HETATM 4684 O O4 . NAG L 3 . ? 48.497 -1.840 14.717 1.00 9.00 ? 483 NAG A O4 1 HETATM 4685 O O5 . NAG L 3 . ? 45.710 -1.404 17.068 1.00 5.25 ? 483 NAG A O5 1 HETATM 4686 O O6 . NAG L 3 . ? 48.401 -0.781 17.975 1.00 7.18 ? 483 NAG A O6 1 HETATM 4687 O O7 . NAG L 3 . ? 42.981 1.304 14.863 1.00 5.10 ? 483 NAG A O7 1 HETATM 4688 H H1 . NAG L 3 . ? 44.401 -2.417 15.852 1.00 6.54 ? 483 NAG A H1 1 HETATM 4689 H H2 . NAG L 3 . ? 45.253 0.481 15.269 1.00 7.47 ? 483 NAG A H2 1 HETATM 4690 H H3 . NAG L 3 . ? 46.028 -2.123 13.909 1.00 7.51 ? 483 NAG A H3 1 HETATM 4691 H H4 . NAG L 3 . ? 47.582 -0.185 15.690 1.00 6.93 ? 483 NAG A H4 1 HETATM 4692 H H5 . NAG L 3 . ? 46.663 -3.032 16.196 1.00 7.92 ? 483 NAG A H5 1 HETATM 4693 H H61 . NAG L 3 . ? 48.806 -2.672 17.256 1.00 6.43 ? 483 NAG A H61 1 HETATM 4694 H H62 . NAG L 3 . ? 47.539 -2.568 18.480 1.00 6.43 ? 483 NAG A H62 1 HETATM 4695 H H81 . NAG L 3 . ? 41.284 -0.365 12.977 1.00 3.84 ? 483 NAG A H81 1 HETATM 4696 H H82 . NAG L 3 . ? 42.498 0.330 11.864 1.00 3.84 ? 483 NAG A H82 1 HETATM 4697 H H83 . NAG L 3 . ? 41.460 1.415 12.807 1.00 3.84 ? 483 NAG A H83 1 HETATM 4698 H HN2 . NAG L 3 . ? 43.939 -1.153 13.191 1.00 7.35 ? 483 NAG A HN2 1 HETATM 4699 H HO3 . NAG L 3 . ? 47.420 -0.701 12.815 1.00 5.61 ? 483 NAG A HO3 1 HETATM 4700 H HO6 . NAG L 3 . ? 47.976 -0.535 18.816 1.00 7.18 ? 483 NAG A HO6 1 HETATM 4701 C C1 . NAG M 3 . ? 49.563 -1.031 14.369 1.00 11.92 ? 484 NAG A C1 1 HETATM 4702 C C2 . NAG M 3 . ? 50.799 -1.890 14.160 1.00 13.61 ? 484 NAG A C2 1 HETATM 4703 C C3 . NAG M 3 . ? 51.946 -1.032 13.639 1.00 16.53 ? 484 NAG A C3 1 HETATM 4704 C C4 . NAG M 3 . ? 51.497 -0.235 12.423 1.00 19.09 ? 484 NAG A C4 1 HETATM 4705 C C5 . NAG M 3 . ? 50.243 0.550 12.748 1.00 17.91 ? 484 NAG A C5 1 HETATM 4706 C C6 . NAG M 3 . ? 49.729 1.287 11.540 1.00 16.68 ? 484 NAG A C6 1 HETATM 4707 C C7 . NAG M 3 . ? 51.033 -3.811 15.618 1.00 16.35 ? 484 NAG A C7 1 HETATM 4708 C C8 . NAG M 3 . ? 51.495 -4.314 16.973 1.00 14.82 ? 484 NAG A C8 1 HETATM 4709 N N2 . NAG M 3 . ? 51.192 -2.506 15.412 1.00 13.84 ? 484 NAG A N2 1 HETATM 4710 O O3 . NAG M 3 . ? 53.006 -1.886 13.268 1.00 18.42 ? 484 NAG A O3 1 HETATM 4711 O O4 . NAG M 3 . ? 52.532 0.670 12.012 1.00 25.37 ? 484 NAG A O4 1 HETATM 4712 O O5 . NAG M 3 . ? 49.221 -0.362 13.159 1.00 12.20 ? 484 NAG A O5 1 HETATM 4713 O O6 . NAG M 3 . ? 49.495 0.384 10.474 1.00 21.83 ? 484 NAG A O6 1 HETATM 4714 O O7 . NAG M 3 . ? 50.511 -4.571 14.791 1.00 17.53 ? 484 NAG A O7 1 HETATM 4715 H H1 . NAG M 3 . ? 49.744 -0.296 15.180 1.00 11.92 ? 484 NAG A H1 1 HETATM 4716 H H2 . NAG M 3 . ? 50.569 -2.637 13.379 1.00 13.61 ? 484 NAG A H2 1 HETATM 4717 H H3 . NAG M 3 . ? 52.296 -0.327 14.415 1.00 16.53 ? 484 NAG A H3 1 HETATM 4718 H H4 . NAG M 3 . ? 51.223 -0.995 11.667 1.00 19.09 ? 484 NAG A H4 1 HETATM 4719 H H5 . NAG M 3 . ? 50.438 1.283 13.555 1.00 17.91 ? 484 NAG A H5 1 HETATM 4720 H H61 . NAG M 3 . ? 50.457 2.044 11.227 1.00 16.68 ? 484 NAG A H61 1 HETATM 4721 H H62 . NAG M 3 . ? 48.786 1.810 11.787 1.00 16.68 ? 484 NAG A H62 1 HETATM 4722 H H81 . NAG M 3 . ? 51.298 -3.570 17.758 1.00 14.82 ? 484 NAG A H81 1 HETATM 4723 H H82 . NAG M 3 . ? 52.574 -4.517 16.958 1.00 14.82 ? 484 NAG A H82 1 HETATM 4724 H H83 . NAG M 3 . ? 50.972 -5.242 17.245 1.00 14.82 ? 484 NAG A H83 1 HETATM 4725 H HN2 . NAG M 3 . ? 51.563 -1.925 16.114 1.00 13.84 ? 484 NAG A HN2 1 HETATM 4726 H HO3 . NAG M 3 . ? 53.622 -1.377 12.722 1.00 18.42 ? 484 NAG A HO3 1 HETATM 4727 H HO6 . NAG M 3 . ? 48.942 -0.351 10.792 1.00 21.83 ? 484 NAG A HO6 1 HETATM 4728 C C1 . BMA N 4 . ? 53.059 0.462 10.748 1.00 31.54 ? 485 BMA A C1 1 HETATM 4729 C C2 . BMA N 4 . ? 53.517 1.787 10.146 1.00 33.84 ? 485 BMA A C2 1 HETATM 4730 C C3 . BMA N 4 . ? 54.003 1.489 8.726 1.00 38.45 ? 485 BMA A C3 1 HETATM 4731 C C4 . BMA N 4 . ? 55.149 0.482 8.798 1.00 38.35 ? 485 BMA A C4 1 HETATM 4732 C C5 . BMA N 4 . ? 54.762 -0.776 9.612 1.00 37.51 ? 485 BMA A C5 1 HETATM 4733 C C6 . BMA N 4 . ? 55.976 -1.651 9.918 1.00 38.16 ? 485 BMA A C6 1 HETATM 4734 O O2 . BMA N 4 . ? 54.584 2.310 10.930 1.00 30.08 ? 485 BMA A O2 1 HETATM 4735 O O3 . BMA N 4 . ? 54.444 2.693 8.048 1.00 41.46 ? 485 BMA A O3 1 HETATM 4736 O O4 . BMA N 4 . ? 55.502 0.100 7.478 1.00 41.59 ? 485 BMA A O4 1 HETATM 4737 O O5 . BMA N 4 . ? 54.179 -0.414 10.886 1.00 33.90 ? 485 BMA A O5 1 HETATM 4738 O O6 . BMA N 4 . ? 55.648 -2.726 10.792 1.00 41.02 ? 485 BMA A O6 1 HETATM 4739 H H1 . BMA N 4 . ? 52.293 -0.007 10.094 1.00 31.54 ? 485 BMA A H1 1 HETATM 4740 H H2 . BMA N 4 . ? 52.658 2.473 10.166 1.00 30.08 ? 485 BMA A H2 1 HETATM 4741 H H3 . BMA N 4 . ? 53.172 1.034 8.152 1.00 38.45 ? 485 BMA A H3 1 HETATM 4742 H H4 . BMA N 4 . ? 56.010 0.982 9.273 1.00 38.35 ? 485 BMA A H4 1 HETATM 4743 H H5 . BMA N 4 . ? 54.016 -1.383 9.070 1.00 37.51 ? 485 BMA A H5 1 HETATM 4744 H H61 . BMA N 4 . ? 56.778 -1.040 10.366 1.00 38.16 ? 485 BMA A H61 1 HETATM 4745 H H62 . BMA N 4 . ? 56.355 -2.066 8.969 1.00 38.16 ? 485 BMA A H62 1 HETATM 4746 H HO2 . BMA N 4 . ? 54.751 3.245 10.713 1.00 30.08 ? 485 BMA A HO2 1 HETATM 4747 H HO4 . BMA N 4 . ? 55.620 0.915 6.977 1.00 41.59 ? 485 BMA A HO4 1 HETATM 4748 H HO6 . BMA N 4 . ? 55.823 -2.475 11.702 1.00 41.02 ? 485 BMA A HO6 1 HETATM 4749 C C1 . MAN O 2 . ? 53.481 3.707 7.914 1.00 47.48 ? 486 MAN A C1 1 HETATM 4750 C C2 . MAN O 2 . ? 53.733 4.517 6.633 1.00 50.41 ? 486 MAN A C2 1 HETATM 4751 C C3 . MAN O 2 . ? 54.993 5.387 6.765 1.00 51.18 ? 486 MAN A C3 1 HETATM 4752 C C4 . MAN O 2 . ? 54.975 6.197 8.060 1.00 49.67 ? 486 MAN A C4 1 HETATM 4753 C C5 . MAN O 2 . ? 54.720 5.259 9.236 1.00 48.42 ? 486 MAN A C5 1 HETATM 4754 C C6 . MAN O 2 . ? 54.644 5.924 10.590 1.00 45.61 ? 486 MAN A C6 1 HETATM 4755 O O2 . MAN O 2 . ? 52.590 5.361 6.349 1.00 53.76 ? 486 MAN A O2 1 HETATM 4756 O O3 . MAN O 2 . ? 55.071 6.282 5.663 1.00 53.91 ? 486 MAN A O3 1 HETATM 4757 O O4 . MAN O 2 . ? 56.226 6.850 8.217 1.00 50.10 ? 486 MAN A O4 1 HETATM 4758 O O5 . MAN O 2 . ? 53.475 4.568 9.038 1.00 48.32 ? 486 MAN A O5 1 HETATM 4759 O O6 . MAN O 2 . ? 54.574 4.943 11.614 1.00 44.69 ? 486 MAN A O6 1 HETATM 4760 H H1 . MAN O 2 . ? 52.482 3.239 7.893 1.00 47.48 ? 486 MAN A H1 1 HETATM 4761 H H2 . MAN O 2 . ? 53.922 3.781 5.830 1.00 53.76 ? 486 MAN A H2 1 HETATM 4762 H H3 . MAN O 2 . ? 55.875 4.722 6.769 1.00 51.18 ? 486 MAN A H3 1 HETATM 4763 H H4 . MAN O 2 . ? 54.164 6.945 8.039 1.00 49.67 ? 486 MAN A H4 1 HETATM 4764 H H5 . MAN O 2 . ? 55.569 4.554 9.281 1.00 48.42 ? 486 MAN A H5 1 HETATM 4765 H H61 . MAN O 2 . ? 53.763 6.583 10.638 1.00 45.61 ? 486 MAN A H61 1 HETATM 4766 H H62 . MAN O 2 . ? 55.525 6.563 10.739 1.00 45.61 ? 486 MAN A H62 1 HETATM 4767 H HO3 . MAN O 2 . ? 55.934 6.702 5.673 1.00 53.91 ? 486 MAN A HO3 1 HETATM 4768 H HO4 . MAN O 2 . ? 56.279 7.560 7.568 1.00 50.10 ? 486 MAN A HO4 1 HETATM 4769 H HO6 . MAN O 2 . ? 53.709 4.990 12.015 1.00 44.69 ? 486 MAN A HO6 1 HETATM 4770 C C1 . MAN P 2 . ? 52.007 5.186 5.084 1.00 55.18 ? 487 MAN A C1 1 HETATM 4771 C C2 . MAN P 2 . ? 50.838 6.189 4.882 1.00 55.79 ? 487 MAN A C2 1 HETATM 4772 C C3 . MAN P 2 . ? 49.525 5.735 5.566 1.00 55.53 ? 487 MAN A C3 1 HETATM 4773 C C4 . MAN P 2 . ? 49.237 4.253 5.267 1.00 55.83 ? 487 MAN A C4 1 HETATM 4774 C C5 . MAN P 2 . ? 50.460 3.441 5.686 1.00 56.56 ? 487 MAN A C5 1 HETATM 4775 C C6 . MAN P 2 . ? 50.312 1.921 5.598 1.00 57.11 ? 487 MAN A C6 1 HETATM 4776 O O2 . MAN P 2 . ? 50.605 6.394 3.494 1.00 58.71 ? 487 MAN A O2 1 HETATM 4777 O O3 . MAN P 2 . ? 48.434 6.540 5.123 1.00 53.14 ? 487 MAN A O3 1 HETATM 4778 O O4 . MAN P 2 . ? 48.089 3.821 5.987 1.00 54.51 ? 487 MAN A O4 1 HETATM 4779 O O5 . MAN P 2 . ? 51.583 3.838 4.871 1.00 55.84 ? 487 MAN A O5 1 HETATM 4780 O O6 . MAN P 2 . ? 50.795 1.284 6.779 1.00 56.96 ? 487 MAN A O6 1 HETATM 4781 H H1 . MAN P 2 . ? 52.811 5.373 4.346 1.00 55.18 ? 487 MAN A H1 1 HETATM 4782 H H2 . MAN P 2 . ? 51.161 7.155 5.307 1.00 58.71 ? 487 MAN A H2 1 HETATM 4783 H H3 . MAN P 2 . ? 49.660 5.884 6.648 1.00 55.53 ? 487 MAN A H3 1 HETATM 4784 H H4 . MAN P 2 . ? 49.062 4.117 4.188 1.00 55.83 ? 487 MAN A H4 1 HETATM 4785 H H5 . MAN P 2 . ? 50.625 3.710 6.739 1.00 56.56 ? 487 MAN A H5 1 HETATM 4786 H H61 . MAN P 2 . ? 50.859 1.525 4.727 1.00 57.11 ? 487 MAN A H61 1 HETATM 4787 H H62 . MAN P 2 . ? 49.264 1.626 5.444 1.00 57.11 ? 487 MAN A H62 1 HETATM 4788 H HO2 . MAN P 2 . ? 50.274 5.576 3.120 1.00 58.71 ? 487 MAN A HO2 1 HETATM 4789 H HO3 . MAN P 2 . ? 48.699 7.470 5.176 1.00 53.14 ? 487 MAN A HO3 1 HETATM 4790 H HO4 . MAN P 2 . ? 47.920 2.876 5.899 1.00 54.51 ? 487 MAN A HO4 1 HETATM 4791 H HO6 . MAN P 2 . ? 50.031 1.026 7.327 1.00 56.96 ? 487 MAN A HO6 1 HETATM 4792 C C1 . NAG Q 3 . ? 27.906 41.058 11.409 1.00 17.21 ? 488 NAG A C1 1 HETATM 4793 C C2 . NAG Q 3 . ? 27.044 40.124 12.270 1.00 16.16 ? 488 NAG A C2 1 HETATM 4794 C C3 . NAG Q 3 . ? 26.496 39.025 11.353 1.00 17.70 ? 488 NAG A C3 1 HETATM 4795 C C4 . NAG Q 3 . ? 25.776 39.626 10.145 1.00 17.78 ? 488 NAG A C4 1 HETATM 4796 C C5 . NAG Q 3 . ? 26.700 40.621 9.420 1.00 19.83 ? 488 NAG A C5 1 HETATM 4797 C C6 . NAG Q 3 . ? 26.062 41.366 8.256 1.00 21.41 ? 488 NAG A C6 1 HETATM 4798 C C7 . NAG Q 3 . ? 27.812 39.877 14.581 1.00 20.17 ? 488 NAG A C7 1 HETATM 4799 C C8 . NAG Q 3 . ? 28.768 39.144 15.514 1.00 17.86 ? 488 NAG A C8 1 HETATM 4800 N N2 . NAG Q 3 . ? 27.874 39.516 13.300 1.00 19.60 ? 488 NAG A N2 1 HETATM 4801 O O3 . NAG Q 3 . ? 25.617 38.161 12.061 1.00 16.03 ? 488 NAG A O3 1 HETATM 4802 O O4 . NAG Q 3 . ? 25.432 38.561 9.249 1.00 17.53 ? 488 NAG A O4 1 HETATM 4803 O O5 . NAG Q 3 . ? 27.143 41.616 10.345 1.00 18.16 ? 488 NAG A O5 1 HETATM 4804 O O6 . NAG Q 3 . ? 24.842 41.976 8.657 1.00 25.87 ? 488 NAG A O6 1 HETATM 4805 O O7 . NAG Q 3 . ? 27.018 40.713 15.009 1.00 23.66 ? 488 NAG A O7 1 HETATM 4806 H H1 . NAG Q 3 . ? 28.724 40.487 10.921 1.00 17.21 ? 488 NAG A H1 1 HETATM 4807 H H2 . NAG Q 3 . ? 26.192 40.689 12.691 1.00 16.16 ? 488 NAG A H2 1 HETATM 4808 H H3 . NAG Q 3 . ? 27.326 38.414 10.954 1.00 17.70 ? 488 NAG A H3 1 HETATM 4809 H H4 . NAG Q 3 . ? 24.891 40.156 10.535 1.00 17.78 ? 488 NAG A H4 1 HETATM 4810 H H5 . NAG Q 3 . ? 27.581 40.092 9.007 1.00 19.83 ? 488 NAG A H5 1 HETATM 4811 H H61 . NAG Q 3 . ? 25.871 40.691 7.408 1.00 21.41 ? 488 NAG A H61 1 HETATM 4812 H H62 . NAG Q 3 . ? 26.752 42.144 7.885 1.00 21.41 ? 488 NAG A H62 1 HETATM 4813 H H81 . NAG Q 3 . ? 28.733 38.064 15.331 1.00 17.86 ? 488 NAG A H81 1 HETATM 4814 H H82 . NAG Q 3 . ? 28.515 39.331 16.568 1.00 17.86 ? 488 NAG A H82 1 HETATM 4815 H H83 . NAG Q 3 . ? 29.793 39.485 15.330 1.00 17.86 ? 488 NAG A H83 1 HETATM 4816 H HN2 . NAG Q 3 . ? 28.448 38.782 13.071 1.00 19.60 ? 488 NAG A HN2 1 HETATM 4817 H HO3 . NAG Q 3 . ? 26.149 37.410 12.371 1.00 16.03 ? 488 NAG A HO3 1 HETATM 4818 H HO6 . NAG Q 3 . ? 24.841 42.899 8.370 1.00 25.87 ? 488 NAG A HO6 1 HETATM 4819 C C1 . NAG R 3 . ? 24.157 38.553 8.727 1.00 16.95 ? 489 NAG A C1 1 HETATM 4820 C C2 . NAG R 3 . ? 24.161 37.669 7.486 1.00 17.86 ? 489 NAG A C2 1 HETATM 4821 C C3 . NAG R 3 . ? 22.747 37.413 6.978 1.00 18.26 ? 489 NAG A C3 1 HETATM 4822 C C4 . NAG R 3 . ? 21.866 36.943 8.128 1.00 18.58 ? 489 NAG A C4 1 HETATM 4823 C C5 . NAG R 3 . ? 21.941 37.917 9.279 1.00 18.43 ? 489 NAG A C5 1 HETATM 4824 C C6 . NAG R 3 . ? 21.100 37.468 10.446 1.00 18.83 ? 489 NAG A C6 1 HETATM 4825 C C7 . NAG R 3 . ? 26.213 37.986 6.239 1.00 17.86 ? 489 NAG A C7 1 HETATM 4826 C C8 . NAG R 3 . ? 26.920 38.742 5.132 1.00 17.72 ? 489 NAG A C8 1 HETATM 4827 N N2 . NAG R 3 . ? 24.940 38.317 6.447 1.00 16.78 ? 489 NAG A N2 1 HETATM 4828 O O3 . NAG R 3 . ? 22.793 36.414 5.965 1.00 19.45 ? 489 NAG A O3 1 HETATM 4829 O O4 . NAG R 3 . ? 20.500 36.860 7.703 1.00 19.05 ? 489 NAG A O4 1 HETATM 4830 O O5 . NAG R 3 . ? 23.296 38.021 9.731 1.00 18.36 ? 489 NAG A O5 1 HETATM 4831 O O6 . NAG R 3 . ? 21.078 38.460 11.453 1.00 21.53 ? 489 NAG A O6 1 HETATM 4832 O O7 . NAG R 3 . ? 26.791 37.089 6.865 1.00 19.90 ? 489 NAG A O7 1 HETATM 4833 H H1 . NAG R 3 . ? 23.839 39.582 8.465 1.00 16.95 ? 489 NAG A H1 1 HETATM 4834 H H2 . NAG R 3 . ? 24.571 36.695 7.775 1.00 17.86 ? 489 NAG A H2 1 HETATM 4835 H H3 . NAG R 3 . ? 22.340 38.345 6.551 1.00 18.26 ? 489 NAG A H3 1 HETATM 4836 H H4 . NAG R 3 . ? 22.274 36.004 8.540 1.00 18.58 ? 489 NAG A H4 1 HETATM 4837 H H5 . NAG R 3 . ? 21.567 38.902 8.940 1.00 18.43 ? 489 NAG A H5 1 HETATM 4838 H H61 . NAG R 3 . ? 21.480 36.519 10.855 1.00 18.83 ? 489 NAG A H61 1 HETATM 4839 H H62 . NAG R 3 . ? 20.066 37.286 10.121 1.00 18.83 ? 489 NAG A H62 1 HETATM 4840 H H81 . NAG R 3 . ? 27.992 38.494 5.129 1.00 17.72 ? 489 NAG A H81 1 HETATM 4841 H H82 . NAG R 3 . ? 26.827 39.827 5.279 1.00 17.72 ? 489 NAG A H82 1 HETATM 4842 H H83 . NAG R 3 . ? 26.499 38.476 4.158 1.00 17.72 ? 489 NAG A H83 1 HETATM 4843 H HN2 . NAG R 3 . ? 24.496 38.981 5.866 1.00 16.78 ? 489 NAG A HN2 1 HETATM 4844 H HO3 . NAG R 3 . ? 21.906 36.323 5.589 1.00 19.45 ? 489 NAG A HO3 1 HETATM 4845 H HO6 . NAG R 3 . ? 21.273 38.064 12.316 1.00 21.53 ? 489 NAG A HO6 1 HETATM 4846 C C1 . BMA S 4 . ? 20.067 35.634 7.263 1.00 21.91 ? 490 BMA A C1 1 HETATM 4847 C C2 . BMA S 4 . ? 18.617 35.443 7.675 1.00 23.35 ? 490 BMA A C2 1 HETATM 4848 C C3 . BMA S 4 . ? 18.106 34.141 7.067 1.00 25.97 ? 490 BMA A C3 1 HETATM 4849 C C4 . BMA S 4 . ? 18.304 34.146 5.559 1.00 25.13 ? 490 BMA A C4 1 HETATM 4850 C C5 . BMA S 4 . ? 19.777 34.377 5.271 1.00 24.46 ? 490 BMA A C5 1 HETATM 4851 C C6 . BMA S 4 . ? 20.137 34.415 3.811 1.00 24.29 ? 490 BMA A C6 1 HETATM 4852 O O2 . BMA S 4 . ? 17.838 36.540 7.219 1.00 23.96 ? 490 BMA A O2 1 HETATM 4853 O O3 . BMA S 4 . ? 16.710 33.972 7.361 1.00 31.24 ? 490 BMA A O3 1 HETATM 4854 O O4 . BMA S 4 . ? 17.892 32.894 5.026 1.00 28.49 ? 490 BMA A O4 1 HETATM 4855 O O5 . BMA S 4 . ? 20.193 35.626 5.843 1.00 20.93 ? 490 BMA A O5 1 HETATM 4856 O O6 . BMA S 4 . ? 21.570 34.407 3.709 1.00 27.74 ? 490 BMA A O6 1 HETATM 4857 H H1 . BMA S 4 . ? 20.683 34.823 7.693 1.00 21.91 ? 490 BMA A H1 1 HETATM 4858 H H2 . BMA S 4 . ? 18.584 35.406 8.780 1.00 23.96 ? 490 BMA A H2 1 HETATM 4859 H H3 . BMA S 4 . ? 18.746 33.335 7.472 1.00 25.97 ? 490 BMA A H3 1 HETATM 4860 H H4 . BMA S 4 . ? 17.714 34.961 5.107 1.00 25.13 ? 490 BMA A H4 1 HETATM 4861 H H5 . BMA S 4 . ? 20.335 33.534 5.716 1.00 24.46 ? 490 BMA A H5 1 HETATM 4862 H H61 . BMA S 4 . ? 19.680 35.301 3.342 1.00 24.29 ? 490 BMA A H61 1 HETATM 4863 H H62 . BMA S 4 . ? 19.691 33.525 3.330 1.00 24.29 ? 490 BMA A H62 1 HETATM 4864 H HO2 . BMA S 4 . ? 18.415 37.321 7.287 1.00 23.96 ? 490 BMA A HO2 1 HETATM 4865 H HO4 . BMA S 4 . ? 16.960 32.801 5.258 1.00 28.49 ? 490 BMA A HO4 1 HETATM 4866 C C1 . MAN T 2 . ? 16.405 33.001 8.313 1.00 34.98 ? 491 MAN A C1 1 HETATM 4867 C C2 . MAN T 2 . ? 14.981 32.545 8.086 1.00 37.38 ? 491 MAN A C2 1 HETATM 4868 C C3 . MAN T 2 . ? 14.075 33.759 8.263 1.00 38.74 ? 491 MAN A C3 1 HETATM 4869 C C4 . MAN T 2 . ? 14.249 34.337 9.671 1.00 40.41 ? 491 MAN A C4 1 HETATM 4870 C C5 . MAN T 2 . ? 15.732 34.648 9.946 1.00 39.88 ? 491 MAN A C5 1 HETATM 4871 C C6 . MAN T 2 . ? 16.019 35.008 11.398 1.00 42.04 ? 491 MAN A C6 1 HETATM 4872 O O2 . MAN T 2 . ? 14.642 31.525 9.048 1.00 35.55 ? 491 MAN A O2 1 HETATM 4873 O O3 . MAN T 2 . ? 12.720 33.395 8.052 1.00 40.35 ? 491 MAN A O3 1 HETATM 4874 O O4 . MAN T 2 . ? 13.475 35.524 9.789 1.00 44.02 ? 491 MAN A O4 1 HETATM 4875 O O5 . MAN T 2 . ? 16.551 33.500 9.639 1.00 38.45 ? 491 MAN A O5 1 HETATM 4876 O O6 . MAN T 2 . ? 17.421 35.099 11.642 1.00 44.08 ? 491 MAN A O6 1 HETATM 4877 H H1 . MAN T 2 . ? 17.106 32.156 8.206 1.00 34.98 ? 491 MAN A H1 1 HETATM 4878 H H2 . MAN T 2 . ? 14.844 32.206 7.046 1.00 35.55 ? 491 MAN A H2 1 HETATM 4879 H H3 . MAN T 2 . ? 14.334 34.544 7.532 1.00 38.74 ? 491 MAN A H3 1 HETATM 4880 H H4 . MAN T 2 . ? 13.898 33.591 10.406 1.00 40.41 ? 491 MAN A H4 1 HETATM 4881 H H5 . MAN T 2 . ? 16.069 35.485 9.310 1.00 39.88 ? 491 MAN A H5 1 HETATM 4882 H H61 . MAN T 2 . ? 15.578 34.254 12.070 1.00 42.04 ? 491 MAN A H61 1 HETATM 4883 H H62 . MAN T 2 . ? 15.540 35.964 11.654 1.00 42.04 ? 491 MAN A H62 1 HETATM 4884 H HO3 . MAN T 2 . ? 12.236 34.221 8.212 1.00 40.35 ? 491 MAN A HO3 1 HETATM 4885 H HO4 . MAN T 2 . ? 13.520 35.834 10.696 1.00 44.02 ? 491 MAN A HO4 1 HETATM 4886 H HO6 . MAN T 2 . ? 17.858 34.286 11.343 1.00 44.08 ? 491 MAN A HO6 1 HETATM 4887 C C1 . MAN U 2 . ? 22.021 34.319 2.394 1.00 26.43 ? 492 MAN A C1 1 HETATM 4888 C C2 . MAN U 2 . ? 23.542 34.181 2.421 1.00 24.57 ? 492 MAN A C2 1 HETATM 4889 C C3 . MAN U 2 . ? 24.159 35.446 2.991 1.00 23.74 ? 492 MAN A C3 1 HETATM 4890 C C4 . MAN U 2 . ? 23.685 36.645 2.186 1.00 28.82 ? 492 MAN A C4 1 HETATM 4891 C C5 . MAN U 2 . ? 22.156 36.694 2.197 1.00 33.15 ? 492 MAN A C5 1 HETATM 4892 C C6 . MAN U 2 . ? 21.606 37.818 1.339 1.00 41.20 ? 492 MAN A C6 1 HETATM 4893 O O2 . MAN U 2 . ? 24.045 33.948 1.117 1.00 25.49 ? 492 MAN A O2 1 HETATM 4894 O O3 . MAN U 2 . ? 25.590 35.360 2.918 1.00 18.65 ? 492 MAN A O3 1 HETATM 4895 O O4 . MAN U 2 . ? 24.231 37.842 2.726 1.00 30.15 ? 492 MAN A O4 1 HETATM 4896 O O5 . MAN U 2 . ? 21.643 35.463 1.658 1.00 28.16 ? 492 MAN A O5 1 HETATM 4897 O O6 . MAN U 2 . ? 22.170 37.705 0.017 1.00 53.21 ? 492 MAN A O6 1 HETATM 4898 H H1 . MAN U 2 . ? 21.553 33.441 1.906 1.00 26.43 ? 492 MAN A H1 1 HETATM 4899 H H2 . MAN U 2 . ? 23.799 33.328 3.065 1.00 25.49 ? 492 MAN A H2 1 HETATM 4900 H H3 . MAN U 2 . ? 23.785 35.586 4.008 1.00 23.74 ? 492 MAN A H3 1 HETATM 4901 H H4 . MAN U 2 . ? 24.027 36.516 1.145 1.00 28.82 ? 492 MAN A H4 1 HETATM 4902 H H5 . MAN U 2 . ? 21.772 36.823 3.224 1.00 33.15 ? 492 MAN A H5 1 HETATM 4903 H H61 . MAN U 2 . ? 21.864 38.769 1.827 1.00 41.20 ? 492 MAN A H61 1 HETATM 4904 H H62 . MAN U 2 . ? 20.507 37.740 1.319 1.00 41.20 ? 492 MAN A H62 1 HETATM 4905 H HO2 . MAN U 2 . ? 23.694 33.106 0.793 1.00 25.49 ? 492 MAN A HO2 1 HETATM 4906 H HO4 . MAN U 2 . ? 25.186 37.766 2.579 1.00 30.15 ? 492 MAN A HO4 1 HETATM 4907 C C1 . MAN V 2 . ? 26.241 34.980 4.096 1.00 17.79 ? 493 MAN A C1 1 HETATM 4908 C C2 . MAN V 2 . ? 27.728 35.365 3.999 1.00 17.16 ? 493 MAN A C2 1 HETATM 4909 C C3 . MAN V 2 . ? 28.470 34.428 3.045 1.00 17.69 ? 493 MAN A C3 1 HETATM 4910 C C4 . MAN V 2 . ? 28.233 32.974 3.474 1.00 16.41 ? 493 MAN A C4 1 HETATM 4911 C C5 . MAN V 2 . ? 26.739 32.708 3.441 1.00 15.79 ? 493 MAN A C5 1 HETATM 4912 C C6 . MAN V 2 . ? 26.382 31.273 3.804 1.00 16.84 ? 493 MAN A C6 1 HETATM 4913 O O2 . MAN V 2 . ? 28.337 35.335 5.283 1.00 19.83 ? 493 MAN A O2 1 HETATM 4914 O O3 . MAN V 2 . ? 29.859 34.732 3.051 1.00 19.37 ? 493 MAN A O3 1 HETATM 4915 O O4 . MAN V 2 . ? 28.903 32.076 2.600 1.00 17.35 ? 493 MAN A O4 1 HETATM 4916 O O5 . MAN V 2 . ? 26.077 33.591 4.376 1.00 15.32 ? 493 MAN A O5 1 HETATM 4917 O O6 . MAN V 2 . ? 26.739 30.965 5.142 1.00 17.63 ? 493 MAN A O6 1 HETATM 4918 H H1 . MAN V 2 . ? 25.770 35.505 4.942 1.00 17.79 ? 493 MAN A H1 1 HETATM 4919 H H2 . MAN V 2 . ? 27.792 36.386 3.592 1.00 19.83 ? 493 MAN A H2 1 HETATM 4920 H H3 . MAN V 2 . ? 28.066 34.585 2.032 1.00 17.69 ? 493 MAN A H3 1 HETATM 4921 H H4 . MAN V 2 . ? 28.576 32.820 4.502 1.00 16.41 ? 493 MAN A H4 1 HETATM 4922 H H5 . MAN V 2 . ? 26.352 32.897 2.419 1.00 15.79 ? 493 MAN A H5 1 HETATM 4923 H H61 . MAN V 2 . ? 26.895 30.581 3.119 1.00 16.84 ? 493 MAN A H61 1 HETATM 4924 H H62 . MAN V 2 . ? 25.305 31.094 3.639 1.00 16.84 ? 493 MAN A H62 1 HETATM 4925 H HO2 . MAN V 2 . ? 27.894 35.968 5.858 1.00 19.83 ? 493 MAN A HO2 1 HETATM 4926 H HO3 . MAN V 2 . ? 30.186 34.483 3.920 1.00 19.37 ? 493 MAN A HO3 1 HETATM 4927 H HO4 . MAN V 2 . ? 28.923 31.211 3.029 1.00 17.35 ? 493 MAN A HO4 1 HETATM 4928 H HO6 . MAN V 2 . ? 26.243 30.156 5.341 1.00 17.63 ? 493 MAN A HO6 1 HETATM 4929 C C1 . MAN W 2 . ? 15.099 30.228 8.787 1.00 36.22 ? 494 MAN A C1 1 HETATM 4930 C C2 . MAN W 2 . ? 14.267 29.261 9.622 1.00 38.05 ? 494 MAN A C2 1 HETATM 4931 C C3 . MAN W 2 . ? 14.509 29.597 11.092 1.00 35.49 ? 494 MAN A C3 1 HETATM 4932 C C4 . MAN W 2 . ? 16.002 29.446 11.401 1.00 33.35 ? 494 MAN A C4 1 HETATM 4933 C C5 . MAN W 2 . ? 16.837 30.328 10.478 1.00 32.41 ? 494 MAN A C5 1 HETATM 4934 C C6 . MAN W 2 . ? 18.334 30.077 10.648 1.00 30.57 ? 494 MAN A C6 1 HETATM 4935 O O2 . MAN W 2 . ? 14.688 27.904 9.354 1.00 44.30 ? 494 MAN A O2 1 HETATM 4936 O O3 . MAN W 2 . ? 13.744 28.736 11.925 1.00 34.10 ? 494 MAN A O3 1 HETATM 4937 O O4 . MAN W 2 . ? 16.254 29.807 12.745 1.00 30.99 ? 494 MAN A O4 1 HETATM 4938 O O5 . MAN W 2 . ? 16.491 30.070 9.095 1.00 33.04 ? 494 MAN A O5 1 HETATM 4939 O O6 . MAN W 2 . ? 19.108 30.836 9.727 1.00 28.10 ? 494 MAN A O6 1 HETATM 4940 H H1 . MAN W 2 . ? 14.982 30.014 7.708 1.00 36.22 ? 494 MAN A H1 1 HETATM 4941 H H2 . MAN W 2 . ? 13.199 29.456 9.417 1.00 44.30 ? 494 MAN A H2 1 HETATM 4942 H H3 . MAN W 2 . ? 14.192 30.639 11.288 1.00 35.49 ? 494 MAN A H3 1 HETATM 4943 H H4 . MAN W 2 . ? 16.301 28.401 11.238 1.00 33.35 ? 494 MAN A H4 1 HETATM 4944 H H5 . MAN W 2 . ? 16.627 31.378 10.721 1.00 32.41 ? 494 MAN A H5 1 HETATM 4945 H H61 . MAN W 2 . ? 18.579 29.012 10.593 1.00 30.57 ? 494 MAN A H61 1 HETATM 4946 H H62 . MAN W 2 . ? 18.615 30.363 11.674 1.00 30.57 ? 494 MAN A H62 1 HETATM 4947 H HO3 . MAN W 2 . ? 13.814 29.101 12.818 1.00 34.10 ? 494 MAN A HO3 1 HETATM 4948 H HO4 . MAN W 2 . ? 15.900 29.083 13.253 1.00 30.99 ? 494 MAN A HO4 1 HETATM 4949 H HO6 . MAN W 2 . ? 19.918 30.332 9.559 1.00 28.10 ? 494 MAN A HO6 1 HETATM 4950 C C1 . MAN X 2 . ? 13.796 27.077 8.658 1.00 50.32 ? 495 MAN A C1 1 HETATM 4951 C C2 . MAN X 2 . ? 14.079 25.609 9.018 1.00 52.84 ? 495 MAN A C2 1 HETATM 4952 C C3 . MAN X 2 . ? 15.406 25.139 8.415 1.00 54.88 ? 495 MAN A C3 1 HETATM 4953 C C4 . MAN X 2 . ? 15.417 25.410 6.918 1.00 55.30 ? 495 MAN A C4 1 HETATM 4954 C C5 . MAN X 2 . ? 15.127 26.892 6.645 1.00 55.61 ? 495 MAN A C5 1 HETATM 4955 C C6 . MAN X 2 . ? 15.033 27.216 5.157 1.00 57.21 ? 495 MAN A C6 1 HETATM 4956 O O2 . MAN X 2 . ? 13.028 24.781 8.544 1.00 54.86 ? 495 MAN A O2 1 HETATM 4957 O O3 . MAN X 2 . ? 15.580 23.741 8.635 1.00 55.67 ? 495 MAN A O3 1 HETATM 4958 O O4 . MAN X 2 . ? 16.686 25.047 6.390 1.00 58.28 ? 495 MAN A O4 1 HETATM 4959 O O5 . MAN X 2 . ? 13.868 27.274 7.247 1.00 52.74 ? 495 MAN A O5 1 HETATM 4960 O O6 . MAN X 2 . ? 16.321 27.272 4.546 1.00 61.08 ? 495 MAN A O6 1 HETATM 4961 H H1 . MAN X 2 . ? 12.760 27.339 8.952 1.00 50.32 ? 495 MAN A H1 1 HETATM 4962 H H2 . MAN X 2 . ? 14.154 25.492 10.108 1.00 54.86 ? 495 MAN A H2 1 HETATM 4963 H H3 . MAN X 2 . ? 16.230 25.693 8.897 1.00 54.88 ? 495 MAN A H3 1 HETATM 4964 H H4 . MAN X 2 . ? 14.638 24.799 6.431 1.00 55.30 ? 495 MAN A H4 1 HETATM 4965 H H5 . MAN X 2 . ? 15.878 27.546 7.106 1.00 55.61 ? 495 MAN A H5 1 HETATM 4966 H H61 . MAN X 2 . ? 14.519 28.181 5.018 1.00 57.21 ? 495 MAN A H61 1 HETATM 4967 H H62 . MAN X 2 . ? 14.421 26.460 4.642 1.00 57.21 ? 495 MAN A H62 1 HETATM 4968 H HO2 . MAN X 2 . ? 13.394 23.886 8.571 1.00 54.86 ? 495 MAN A HO2 1 HETATM 4969 H HO3 . MAN X 2 . ? 15.605 23.517 9.586 1.00 55.67 ? 495 MAN A HO3 1 HETATM 4970 H HO4 . MAN X 2 . ? 16.765 24.086 6.509 1.00 58.28 ? 495 MAN A HO4 1 HETATM 4971 H HO6 . MAN X 2 . ? 16.697 26.379 4.599 1.00 61.08 ? 495 MAN A HO6 1 HETATM 4972 C C1 . MAN Y 2 . ? 21.797 38.721 -0.875 1.00 60.87 ? 496 MAN A C1 1 HETATM 4973 C C2 . MAN Y 2 . ? 22.509 38.477 -2.210 1.00 64.36 ? 496 MAN A C2 1 HETATM 4974 C C3 . MAN Y 2 . ? 24.019 38.678 -2.025 1.00 66.44 ? 496 MAN A C3 1 HETATM 4975 C C4 . MAN Y 2 . ? 24.286 40.086 -1.485 1.00 67.43 ? 496 MAN A C4 1 HETATM 4976 C C5 . MAN Y 2 . ? 23.514 40.296 -0.175 1.00 67.52 ? 496 MAN A C5 1 HETATM 4977 C C6 . MAN Y 2 . ? 23.640 41.722 0.356 1.00 70.05 ? 496 MAN A C6 1 HETATM 4978 O O2 . MAN Y 2 . ? 22.013 39.373 -3.198 1.00 66.74 ? 496 MAN A O2 1 HETATM 4979 O O3 . MAN Y 2 . ? 24.696 38.495 -3.263 1.00 67.85 ? 496 MAN A O3 1 HETATM 4980 O O4 . MAN Y 2 . ? 25.682 40.264 -1.269 1.00 68.76 ? 496 MAN A O4 1 HETATM 4981 O O5 . MAN Y 2 . ? 22.102 40.031 -0.379 1.00 64.46 ? 496 MAN A O5 1 HETATM 4982 O O6 . MAN Y 2 . ? 22.902 41.900 1.562 1.00 73.60 ? 496 MAN A O6 1 HETATM 4983 H H1 . MAN Y 2 . ? 20.699 38.670 -0.990 1.00 60.87 ? 496 MAN A H1 1 HETATM 4984 H H2 . MAN Y 2 . ? 22.352 37.431 -2.530 1.00 66.74 ? 496 MAN A H2 1 HETATM 4985 H H3 . MAN Y 2 . ? 24.408 37.949 -1.291 1.00 66.44 ? 496 MAN A H3 1 HETATM 4986 H H4 . MAN Y 2 . ? 23.948 40.813 -2.240 1.00 67.43 ? 496 MAN A H4 1 HETATM 4987 H H5 . MAN Y 2 . ? 23.903 39.597 0.588 1.00 67.52 ? 496 MAN A H5 1 HETATM 4988 H H61 . MAN Y 2 . ? 23.290 42.433 -0.408 1.00 70.05 ? 496 MAN A H61 1 HETATM 4989 H H62 . MAN Y 2 . ? 24.705 41.944 0.525 1.00 70.05 ? 496 MAN A H62 1 HETATM 4990 H HO2 . MAN Y 2 . ? 21.872 40.222 -2.770 1.00 66.74 ? 496 MAN A HO2 1 HETATM 4991 H HO3 . MAN Y 2 . ? 24.109 38.834 -3.954 1.00 67.85 ? 496 MAN A HO3 1 HETATM 4992 H HO4 . MAN Y 2 . ? 26.101 39.969 -2.091 1.00 68.76 ? 496 MAN A HO4 1 HETATM 4993 H HO6 . MAN Y 2 . ? 22.017 41.552 1.411 1.00 73.60 ? 496 MAN A HO6 1 HETATM 4994 C C1A . ACR Z 5 . ? 33.063 20.452 8.167 1.00 3.00 ? 497 ACR A C1A 1 HETATM 4995 C C2A . ACR Z 5 . ? 34.296 20.343 9.083 1.00 3.00 ? 497 ACR A C2A 1 HETATM 4996 C C3A . ACR Z 5 . ? 33.948 19.545 10.351 1.00 3.33 ? 497 ACR A C3A 1 HETATM 4997 C C4A . ACR Z 5 . ? 32.878 20.274 11.181 1.00 5.85 ? 497 ACR A C4A 1 HETATM 4998 C C5A . ACR Z 5 . ? 31.739 20.786 10.312 1.00 5.38 ? 497 ACR A C5A 1 HETATM 4999 C C6A . ACR Z 5 . ? 30.568 21.460 10.994 1.00 3.57 ? 497 ACR A C6A 1 HETATM 5000 C C7A . ACR Z 5 . ? 31.825 20.816 8.952 1.00 4.20 ? 497 ACR A C7A 1 HETATM 5001 O O2A . ACR Z 5 . ? 35.342 19.765 8.332 1.00 4.06 ? 497 ACR A O2A 1 HETATM 5002 O O3A . ACR Z 5 . ? 35.074 19.341 11.171 1.00 4.59 ? 497 ACR A O3A 1 HETATM 5003 O O4A . ACR Z 5 . ? 32.466 19.339 12.179 1.00 5.19 ? 497 ACR A O4A 1 HETATM 5004 O O6A . ACR Z 5 . ? 30.989 22.733 11.485 1.00 4.68 ? 497 ACR A O6A 1 HETATM 5005 C C1B . ACR Z 5 . ? 31.707 18.140 3.502 1.00 7.27 ? 497 ACR A C1B 1 HETATM 5006 C C2B . ACR Z 5 . ? 33.184 18.494 3.769 1.00 7.57 ? 497 ACR A C2B 1 HETATM 5007 C C3B . ACR Z 5 . ? 33.505 18.306 5.263 1.00 6.20 ? 497 ACR A C3B 1 HETATM 5008 C C4B . ACR Z 5 . ? 32.575 19.233 6.059 1.00 4.27 ? 497 ACR A C4B 1 HETATM 5009 C C5B . ACR Z 5 . ? 31.130 18.800 5.771 1.00 3.63 ? 497 ACR A C5B 1 HETATM 5010 C C6B . ACR Z 5 . ? 30.106 19.667 6.466 1.00 3.38 ? 497 ACR A C6B 1 HETATM 5011 N N4B . ACR Z 5 . ? 32.842 19.153 7.504 1.00 3.45 ? 497 ACR A N4B 1 HETATM 5012 O O2B . ACR Z 5 . ? 34.030 17.649 2.998 1.00 8.04 ? 497 ACR A O2B 1 HETATM 5013 O O3B . ACR Z 5 . ? 34.884 18.596 5.513 1.00 6.01 ? 497 ACR A O3B 1 HETATM 5014 O O5B . ACR Z 5 . ? 30.837 18.870 4.356 1.00 5.81 ? 497 ACR A O5B 1 HETATM 5015 C C1C A ACR Z 5 . ? 30.629 13.484 1.432 0.53 15.44 ? 497 ACR A C1C 1 HETATM 5016 C C1C B ACR Z 5 . ? 28.320 14.108 2.726 0.47 10.14 ? 497 ACR A C1C 1 HETATM 5017 C C2C A ACR Z 5 . ? 30.323 14.802 0.749 0.53 15.91 ? 497 ACR A C2C 1 HETATM 5018 C C2C B ACR Z 5 . ? 28.148 15.540 2.221 0.47 9.61 ? 497 ACR A C2C 1 HETATM 5019 C C3C A ACR Z 5 . ? 30.983 15.961 1.512 0.53 13.81 ? 497 ACR A C3C 1 HETATM 5020 C C3C B ACR Z 5 . ? 29.487 16.286 2.178 0.47 7.62 ? 497 ACR A C3C 1 HETATM 5021 C C4C A ACR Z 5 . ? 30.673 15.918 3.025 0.53 12.42 ? 497 ACR A C4C 1 HETATM 5022 C C4C B ACR Z 5 . ? 30.174 16.205 3.567 0.47 6.74 ? 497 ACR A C4C 1 HETATM 5023 C C5C A ACR Z 5 . ? 30.844 14.501 3.580 0.53 12.83 ? 497 ACR A C5C 1 HETATM 5024 C C5C B ACR Z 5 . ? 30.262 14.741 3.994 0.47 5.78 ? 497 ACR A C5C 1 HETATM 5025 C C6C A ACR Z 5 . ? 30.357 14.339 5.007 0.53 12.04 ? 497 ACR A C6C 1 HETATM 5026 C C6C B ACR Z 5 . ? 30.854 14.565 5.375 0.47 3.23 ? 497 ACR A C6C 1 HETATM 5027 O O2C A ACR Z 5 . ? 30.833 14.767 -0.578 0.53 14.77 ? 497 ACR A O2C 1 HETATM 5028 O O2C B ACR Z 5 . ? 27.563 15.533 0.930 0.47 13.09 ? 497 ACR A O2C 1 HETATM 5029 O O3C A ACR Z 5 . ? 30.515 17.184 0.966 0.53 17.30 ? 497 ACR A O3C 1 HETATM 5030 O O3C B ACR Z 5 . ? 29.238 17.639 1.806 0.47 5.03 ? 497 ACR A O3C 1 HETATM 5031 O O4C A ACR Z 5 . ? 31.600 16.759 3.747 0.53 10.53 ? 497 ACR A O4C 1 HETATM 5032 O O4C B ACR Z 5 . ? 31.520 16.747 3.541 0.47 7.17 ? 497 ACR A O4C 1 HETATM 5033 O O5C A ACR Z 5 . ? 30.147 13.539 2.761 0.53 15.81 ? 497 ACR A O5C 1 HETATM 5034 O O5C B ACR Z 5 . ? 28.954 14.126 3.997 0.47 7.87 ? 497 ACR A O5C 1 HETATM 5035 O O6C A ACR Z 5 . ? 30.894 13.166 5.596 0.53 10.82 ? 497 ACR A O6C 1 HETATM 5036 O O6C B ACR Z 5 . ? 30.969 13.193 5.706 0.47 3.00 ? 497 ACR A O6C 1 HETATM 5037 C C1D A ACR Z 5 . ? 34.833 10.367 0.522 0.53 22.98 ? 497 ACR A C1D 1 HETATM 5038 C C1D B ACR Z 5 . ? 29.164 9.668 -0.064 0.47 22.68 ? 497 ACR A C1D 1 HETATM 5039 C C2D A ACR Z 5 . ? 34.113 10.972 -0.685 0.53 22.73 ? 497 ACR A C2D 1 HETATM 5040 C C2D B ACR Z 5 . ? 27.784 10.298 0.019 0.47 21.59 ? 497 ACR A C2D 1 HETATM 5041 C C3D A ACR Z 5 . ? 33.449 12.279 -0.261 0.53 22.31 ? 497 ACR A C3D 1 HETATM 5042 C C3D B ACR Z 5 . ? 27.918 11.770 0.380 0.47 19.72 ? 497 ACR A C3D 1 HETATM 5043 C C4D A ACR Z 5 . ? 32.517 12.035 0.923 0.53 20.81 ? 497 ACR A C4D 1 HETATM 5044 C C4D B ACR Z 5 . ? 28.748 11.961 1.654 0.47 19.25 ? 497 ACR A C4D 1 HETATM 5045 C C5D A ACR Z 5 . ? 33.274 11.349 2.059 0.53 22.76 ? 497 ACR A C5D 1 HETATM 5046 C C5D B ACR Z 5 . ? 30.066 11.172 1.552 0.47 21.97 ? 497 ACR A C5D 1 HETATM 5047 C C6D A ACR Z 5 . ? 32.335 10.959 3.181 0.53 24.09 ? 497 ACR A C6D 1 HETATM 5048 C C6D B ACR Z 5 . ? 30.870 11.145 2.838 0.47 23.59 ? 497 ACR A C6D 1 HETATM 5049 O O1D A ACR Z 5 . ? 35.796 11.258 0.973 0.53 23.02 ? 497 ACR A O1D 1 HETATM 5050 O O1D B ACR Z 5 . ? 29.041 8.319 -0.347 0.47 24.69 ? 497 ACR A O1D 1 HETATM 5051 O O2D A ACR Z 5 . ? 35.054 11.229 -1.717 0.53 22.46 ? 497 ACR A O2D 1 HETATM 5052 O O2D B ACR Z 5 . ? 27.130 10.169 -1.235 0.47 21.78 ? 497 ACR A O2D 1 HETATM 5053 O O3D A ACR Z 5 . ? 32.719 12.835 -1.346 0.53 21.71 ? 497 ACR A O3D 1 HETATM 5054 O O3D B ACR Z 5 . ? 26.628 12.341 0.550 0.47 21.55 ? 497 ACR A O3D 1 HETATM 5055 O O4D A ACR Z 5 . ? 32.018 13.299 1.396 0.53 19.70 ? 497 ACR A O4D 1 HETATM 5056 O O4D B ACR Z 5 . ? 29.056 13.370 1.791 0.47 13.85 ? 497 ACR A O4D 1 HETATM 5057 O O5D A ACR Z 5 . ? 33.900 10.134 1.589 0.53 22.54 ? 497 ACR A O5D 1 HETATM 5058 O O5D B ACR Z 5 . ? 29.824 9.795 1.194 0.47 23.39 ? 497 ACR A O5D 1 HETATM 5059 O O6D A ACR Z 5 . ? 31.397 9.988 2.737 0.53 26.79 ? 497 ACR A O6D 1 HETATM 5060 O O6D B ACR Z 5 . ? 32.111 10.489 2.633 0.47 25.08 ? 497 ACR A O6D 1 HETATM 5061 H H1A . ACR Z 5 . ? 33.093 21.274 7.438 1.00 3.00 ? 497 ACR A H1A 1 HETATM 5062 H H2A . ACR Z 5 . ? 34.645 21.334 9.406 1.00 4.06 ? 497 ACR A H2A 1 HETATM 5063 H H3A . ACR Z 5 . ? 33.556 18.568 10.052 1.00 3.33 ? 497 ACR A H3A 1 HETATM 5064 H H4A . ACR Z 5 . ? 33.360 21.134 11.675 1.00 5.85 ? 497 ACR A H4A 1 HETATM 5065 H H6A1 . ACR Z 5 . ? 29.672 21.552 10.367 1.00 3.57 ? 497 ACR A H6A1 1 HETATM 5066 H H6A2 . ACR Z 5 . ? 30.293 20.865 11.871 1.00 3.57 ? 497 ACR A H6A2 1 HETATM 5067 H H7A . ACR Z 5 . ? 31.008 21.224 8.405 1.00 4.20 ? 497 ACR A H7A 1 HETATM 5068 H HOA2 . ACR Z 5 . ? 34.943 19.138 7.721 1.00 4.06 ? 497 ACR A HOA2 1 HETATM 5069 H HOA3 . ACR Z 5 . ? 35.561 18.638 10.744 1.00 4.59 ? 497 ACR A HOA3 1 HETATM 5070 H HOA4 . ACR Z 5 . ? 32.080 19.849 12.891 1.00 5.19 ? 497 ACR A HOA4 1 HETATM 5071 H HOA6 . ACR Z 5 . ? 31.557 22.614 12.267 1.00 4.68 ? 497 ACR A HOA6 1 HETATM 5072 H H1B . ACR Z 5 . ? 31.412 18.478 2.515 1.00 7.27 ? 497 ACR A H1B 1 HETATM 5073 H H2B . ACR Z 5 . ? 33.369 19.532 3.482 1.00 8.04 ? 497 ACR A H2B 1 HETATM 5074 H H3B . ACR Z 5 . ? 33.306 17.275 5.567 1.00 6.20 ? 497 ACR A H3B 1 HETATM 5075 H H4B . ACR Z 5 . ? 32.703 20.242 5.636 1.00 4.27 ? 497 ACR A H4B 1 HETATM 5076 H H5B . ACR Z 5 . ? 30.959 17.755 6.067 1.00 3.63 ? 497 ACR A H5B 1 HETATM 5077 H H6B1 . ACR Z 5 . ? 29.102 19.461 6.082 1.00 3.38 ? 497 ACR A H6B1 1 HETATM 5078 H H6B2 . ACR Z 5 . ? 30.328 20.729 6.281 1.00 3.38 ? 497 ACR A H6B2 1 HETATM 5079 H H6B3 . ACR Z 5 . ? 30.048 19.421 7.532 1.00 7.27 ? 497 ACR A H6B3 1 HETATM 5080 H HN4 . ACR Z 5 . ? 32.049 18.770 7.922 1.00 3.45 ? 497 ACR A HN4 1 HETATM 5081 H HOB2 . ACR Z 5 . ? 33.807 16.768 3.327 1.00 8.04 ? 497 ACR A HOB2 1 HETATM 5082 H HOB3 . ACR Z 5 . ? 35.370 17.843 5.123 1.00 6.01 ? 497 ACR A HOB3 1 HETATM 5083 H H1C A ACR Z 5 . ? 30.066 12.639 0.998 0.53 15.44 ? 497 ACR A H1C 1 HETATM 5084 H H1C B ACR Z 5 . ? 27.339 13.621 2.883 0.47 10.14 ? 497 ACR A H1C 1 HETATM 5085 H H2C A ACR Z 5 . ? 29.232 14.977 0.737 0.53 14.77 ? 497 ACR A H2C 1 HETATM 5086 H H2C B ACR Z 5 . ? 27.462 16.102 2.867 0.47 13.09 ? 497 ACR A H2C 1 HETATM 5087 H H3C A ACR Z 5 . ? 32.072 15.912 1.369 0.53 13.81 ? 497 ACR A H3C 1 HETATM 5088 H H3C B ACR Z 5 . ? 30.125 15.810 1.423 0.47 7.62 ? 497 ACR A H3C 1 HETATM 5089 H H4C A ACR Z 5 . ? 29.643 16.251 3.209 0.53 12.42 ? 497 ACR A H4C 1 HETATM 5090 H H4C B ACR Z 5 . ? 29.554 16.724 4.304 0.47 6.74 ? 497 ACR A H4C 1 HETATM 5091 H H5C A ACR Z 5 . ? 31.928 14.311 3.593 0.53 12.83 ? 497 ACR A H5C 1 HETATM 5092 H H5C B ACR Z 5 . ? 30.915 14.262 3.249 0.47 5.78 ? 497 ACR A H5C 1 HETATM 5093 H H6C1 A ACR Z 5 . ? 29.262 14.282 4.986 0.53 12.04 ? 497 ACR A H6C1 1 HETATM 5094 H H6C1 B ACR Z 5 . ? 30.349 15.146 6.150 0.47 3.23 ? 497 ACR A H6C1 1 HETATM 5095 H H6C2 A ACR Z 5 . ? 30.642 15.209 5.622 0.53 12.04 ? 497 ACR A H6C2 1 HETATM 5096 H H6C2 B ACR Z 5 . ? 31.874 14.980 5.312 0.47 3.23 ? 497 ACR A H6C2 1 HETATM 5097 H HOC2 A ACR Z 5 . ? 31.691 14.318 -0.545 0.53 14.77 ? 497 ACR A HOC2 1 HETATM 5098 H HOC2 B ACR Z 5 . ? 28.000 14.841 0.421 0.47 13.09 ? 497 ACR A HOC2 1 HETATM 5099 H HOC3 A ACR Z 5 . ? 30.668 17.121 0.013 0.53 17.30 ? 497 ACR A HOC3 1 HETATM 5100 H HOC3 B ACR Z 5 . ? 28.717 17.556 0.986 0.47 5.03 ? 497 ACR A HOC3 1 HETATM 5101 H HOC6 A ACR Z 5 . ? 31.855 13.261 5.689 0.53 10.82 ? 497 ACR A HOC6 1 HETATM 5102 H HOC6 B ACR Z 5 . ? 31.895 12.931 5.577 0.47 3.00 ? 497 ACR A HOC6 1 HETATM 5103 H H1D A ACR Z 5 . ? 35.325 9.412 0.267 0.53 22.98 ? 497 ACR A H1D 1 HETATM 5104 H H1D B ACR Z 5 . ? 29.782 10.121 -0.859 0.47 22.68 ? 497 ACR A H1D 1 HETATM 5105 H H2D A ACR Z 5 . ? 33.359 10.251 -1.044 0.53 22.46 ? 497 ACR A H2D 1 HETATM 5106 H H2D B ACR Z 5 . ? 27.213 9.784 0.803 0.47 21.78 ? 497 ACR A H2D 1 HETATM 5107 H H3D A ACR Z 5 . ? 34.208 13.013 0.068 0.53 22.31 ? 497 ACR A H3D 1 HETATM 5108 H H3D B ACR Z 5 . ? 28.438 12.250 -0.451 0.47 19.72 ? 497 ACR A H3D 1 HETATM 5109 H H4D A ACR Z 5 . ? 31.742 11.327 0.583 0.53 20.81 ? 497 ACR A H4D 1 HETATM 5110 H H4D B ACR Z 5 . ? 28.205 11.544 2.520 0.47 19.25 ? 497 ACR A H4D 1 HETATM 5111 H H5D A ACR Z 5 . ? 34.030 12.043 2.473 0.53 22.76 ? 497 ACR A H5D 1 HETATM 5112 H H5D B ACR Z 5 . ? 30.692 11.654 0.787 0.47 21.97 ? 497 ACR A H5D 1 HETATM 5113 H H6D1 A ACR Z 5 . ? 31.795 11.834 3.559 0.53 24.09 ? 497 ACR A H6D1 1 HETATM 5114 H H6D1 B ACR Z 5 . ? 30.277 10.639 3.616 0.47 23.59 ? 497 ACR A H6D1 1 HETATM 5115 H H6D2 A ACR Z 5 . ? 32.908 10.637 4.046 0.53 24.09 ? 497 ACR A H6D2 1 HETATM 5116 H H6D2 B ACR Z 5 . ? 31.058 12.144 3.215 0.47 23.59 ? 497 ACR A H6D2 1 HETATM 5117 H HOD1 A ACR Z 5 . ? 36.360 11.459 0.210 0.53 23.02 ? 497 ACR A HOD1 1 HETATM 5118 H HOD1 B ACR Z 5 . ? 29.941 7.974 -0.461 0.47 24.69 ? 497 ACR A HOD1 1 HETATM 5119 H HOD2 A ACR Z 5 . ? 34.570 11.333 -2.558 0.53 22.46 ? 497 ACR A HOD2 1 HETATM 5120 H HOD2 B ACR Z 5 . ? 27.053 9.202 -1.331 0.47 21.78 ? 497 ACR A HOD2 1 HETATM 5121 H HOD3 A ACR Z 5 . ? 33.344 13.329 -1.903 0.53 21.71 ? 497 ACR A HOD3 1 HETATM 5122 H HOD3 B ACR Z 5 . ? 26.058 11.996 -0.166 0.47 21.55 ? 497 ACR A HOD3 1 HETATM 5123 H HOD6 A ACR Z 5 . ? 31.929 9.306 2.304 0.53 26.79 ? 497 ACR A HOD6 1 HETATM 5124 H HOD6 B ACR Z 5 . ? 31.929 9.745 2.048 0.47 25.08 ? 497 ACR A HOD6 1 HETATM 5125 O O . HOH AA 6 . ? 33.536 23.467 10.289 1.00 5.01 ? 498 HOH A O 1 HETATM 5126 H H1 . HOH AA 6 . ? 32.577 23.402 10.392 1.00 5.01 ? 498 HOH A H1 1 HETATM 5127 H H2 . HOH AA 6 . ? 33.629 24.035 9.517 1.00 5.01 ? 498 HOH A H2 1 HETATM 5128 O O . HOH AA 6 . ? 27.261 21.748 16.629 1.00 4.73 ? 499 HOH A O 1 HETATM 5129 H H1 . HOH AA 6 . ? 26.642 21.840 17.367 1.00 4.73 ? 499 HOH A H1 1 HETATM 5130 H H2 . HOH AA 6 . ? 27.640 22.635 16.573 1.00 4.73 ? 499 HOH A H2 1 HETATM 5131 O O . HOH AA 6 . ? 42.415 14.645 8.966 1.00 3.00 ? 500 HOH A O 1 HETATM 5132 H H1 . HOH AA 6 . ? 41.661 14.448 8.405 1.00 3.00 ? 500 HOH A H1 1 HETATM 5133 H H2 . HOH AA 6 . ? 42.726 15.475 8.579 1.00 3.00 ? 500 HOH A H2 1 HETATM 5134 O O . HOH AA 6 . ? 27.270 11.353 18.546 1.00 3.00 ? 501 HOH A O 1 HETATM 5135 H H1 . HOH AA 6 . ? 27.229 12.059 17.886 1.00 3.00 ? 501 HOH A H1 1 HETATM 5136 H H2 . HOH AA 6 . ? 27.922 10.762 18.180 1.00 3.00 ? 501 HOH A H2 1 HETATM 5137 O O . HOH AA 6 . ? 40.298 13.012 13.282 1.00 3.00 ? 502 HOH A O 1 HETATM 5138 H H1 . HOH AA 6 . ? 39.953 12.251 13.768 1.00 3.00 ? 502 HOH A H1 1 HETATM 5139 H H2 . HOH AA 6 . ? 40.875 12.610 12.627 1.00 3.00 ? 502 HOH A H2 1 HETATM 5140 O O . HOH AA 6 . ? 30.590 25.237 14.679 1.00 3.00 ? 503 HOH A O 1 HETATM 5141 H H1 . HOH AA 6 . ? 30.547 24.279 14.557 1.00 3.00 ? 503 HOH A H1 1 HETATM 5142 H H2 . HOH AA 6 . ? 29.926 25.570 14.063 1.00 3.00 ? 503 HOH A H2 1 HETATM 5143 O O . HOH AA 6 . ? 21.765 11.374 13.159 1.00 3.71 ? 504 HOH A O 1 HETATM 5144 H H1 . HOH AA 6 . ? 22.597 11.807 13.384 1.00 3.71 ? 504 HOH A H1 1 HETATM 5145 H H2 . HOH AA 6 . ? 22.043 10.771 12.459 1.00 3.71 ? 504 HOH A H2 1 HETATM 5146 O O . HOH AA 6 . ? 30.555 15.410 15.256 1.00 4.61 ? 505 HOH A O 1 HETATM 5147 H H1 . HOH AA 6 . ? 31.201 14.673 15.367 1.00 4.61 ? 505 HOH A H1 1 HETATM 5148 H H2 . HOH AA 6 . ? 29.838 14.998 14.766 1.00 4.61 ? 505 HOH A H2 1 HETATM 5149 O O . HOH AA 6 . ? 40.227 14.915 5.644 1.00 3.71 ? 506 HOH A O 1 HETATM 5150 H H1 . HOH AA 6 . ? 39.800 14.442 6.362 1.00 3.71 ? 506 HOH A H1 1 HETATM 5151 H H2 . HOH AA 6 . ? 39.659 15.692 5.563 1.00 3.71 ? 506 HOH A H2 1 HETATM 5152 O O . HOH AA 6 . ? 35.490 18.666 24.427 1.00 3.00 ? 507 HOH A O 1 HETATM 5153 H H1 . HOH AA 6 . ? 34.972 19.454 24.234 1.00 3.00 ? 507 HOH A H1 1 HETATM 5154 H H2 . HOH AA 6 . ? 34.825 18.063 24.776 1.00 3.00 ? 507 HOH A H2 1 HETATM 5155 O O . HOH AA 6 . ? 24.617 5.265 32.050 1.00 5.97 ? 508 HOH A O 1 HETATM 5156 H H1 . HOH AA 6 . ? 25.426 5.723 31.789 1.00 5.97 ? 508 HOH A H1 1 HETATM 5157 H H2 . HOH AA 6 . ? 24.054 5.432 31.282 1.00 5.97 ? 508 HOH A H2 1 HETATM 5158 O O . HOH AA 6 . ? 25.490 10.587 20.511 1.00 7.56 ? 509 HOH A O 1 HETATM 5159 H H1 . HOH AA 6 . ? 24.746 10.135 20.053 1.00 7.56 ? 509 HOH A H1 1 HETATM 5160 H H2 . HOH AA 6 . ? 26.060 10.851 19.752 1.00 7.56 ? 509 HOH A H2 1 HETATM 5161 O O . HOH AA 6 . ? 32.237 13.500 15.986 1.00 4.25 ? 510 HOH A O 1 HETATM 5162 H H1 . HOH AA 6 . ? 33.086 13.069 15.836 1.00 4.25 ? 510 HOH A H1 1 HETATM 5163 H H2 . HOH AA 6 . ? 31.645 12.756 16.244 1.00 4.25 ? 510 HOH A H2 1 HETATM 5164 O O . HOH AA 6 . ? 23.254 9.169 19.742 1.00 4.35 ? 511 HOH A O 1 HETATM 5165 H H1 . HOH AA 6 . ? 23.183 8.207 19.605 1.00 4.35 ? 511 HOH A H1 1 HETATM 5166 H H2 . HOH AA 6 . ? 22.368 9.413 20.026 1.00 4.35 ? 511 HOH A H2 1 HETATM 5167 O O . HOH AA 6 . ? 45.418 24.632 24.314 1.00 3.00 ? 512 HOH A O 1 HETATM 5168 H H1 . HOH AA 6 . ? 45.642 25.398 23.765 1.00 3.00 ? 512 HOH A H1 1 HETATM 5169 H H2 . HOH AA 6 . ? 46.301 24.278 24.445 1.00 3.00 ? 512 HOH A H2 1 HETATM 5170 O O . HOH AA 6 . ? 28.381 16.908 22.024 1.00 4.19 ? 513 HOH A O 1 HETATM 5171 H H1 . HOH AA 6 . ? 29.172 16.765 21.496 1.00 4.19 ? 513 HOH A H1 1 HETATM 5172 H H2 . HOH AA 6 . ? 28.730 17.214 22.863 1.00 4.19 ? 513 HOH A H2 1 HETATM 5173 O O . HOH AA 6 . ? 36.432 7.813 13.601 1.00 3.00 ? 514 HOH A O 1 HETATM 5174 H H1 . HOH AA 6 . ? 37.128 7.141 13.736 1.00 3.00 ? 514 HOH A H1 1 HETATM 5175 H H2 . HOH AA 6 . ? 36.886 8.487 13.069 1.00 3.00 ? 514 HOH A H2 1 HETATM 5176 O O . HOH AA 6 . ? 39.760 24.582 18.336 1.00 3.38 ? 515 HOH A O 1 HETATM 5177 H H1 . HOH AA 6 . ? 39.532 25.173 19.090 1.00 3.38 ? 515 HOH A H1 1 HETATM 5178 H H2 . HOH AA 6 . ? 40.432 25.132 17.873 1.00 3.38 ? 515 HOH A H2 1 HETATM 5179 O O . HOH AA 6 . ? 50.679 16.736 10.174 1.00 4.32 ? 516 HOH A O 1 HETATM 5180 H H1 . HOH AA 6 . ? 51.536 16.831 10.612 1.00 4.32 ? 516 HOH A H1 1 HETATM 5181 H H2 . HOH AA 6 . ? 50.589 15.775 10.105 1.00 4.32 ? 516 HOH A H2 1 HETATM 5182 O O . HOH AA 6 . ? 29.581 3.914 15.774 1.00 3.63 ? 517 HOH A O 1 HETATM 5183 H H1 . HOH AA 6 . ? 28.665 4.070 16.033 1.00 3.63 ? 517 HOH A H1 1 HETATM 5184 H H2 . HOH AA 6 . ? 29.455 3.298 15.028 1.00 3.63 ? 517 HOH A H2 1 HETATM 5185 O O . HOH AA 6 . ? 42.493 28.068 18.655 1.00 3.82 ? 518 HOH A O 1 HETATM 5186 H H1 . HOH AA 6 . ? 43.314 27.923 19.135 1.00 3.82 ? 518 HOH A H1 1 HETATM 5187 H H2 . HOH AA 6 . ? 41.941 28.363 19.394 1.00 3.82 ? 518 HOH A H2 1 HETATM 5188 O O . HOH AA 6 . ? 30.398 11.477 16.644 1.00 3.00 ? 519 HOH A O 1 HETATM 5189 H H1 . HOH AA 6 . ? 30.653 10.572 16.410 1.00 3.00 ? 519 HOH A H1 1 HETATM 5190 H H2 . HOH AA 6 . ? 29.430 11.451 16.633 1.00 3.00 ? 519 HOH A H2 1 HETATM 5191 O O . HOH AA 6 . ? 47.577 15.801 4.142 1.00 3.15 ? 520 HOH A O 1 HETATM 5192 H H1 . HOH AA 6 . ? 47.793 16.034 3.229 1.00 3.15 ? 520 HOH A H1 1 HETATM 5193 H H2 . HOH AA 6 . ? 47.620 16.672 4.565 1.00 3.15 ? 520 HOH A H2 1 HETATM 5194 O O . HOH AA 6 . ? 21.245 8.575 27.948 1.00 4.02 ? 521 HOH A O 1 HETATM 5195 H H1 . HOH AA 6 . ? 22.163 8.818 27.755 1.00 4.02 ? 521 HOH A H1 1 HETATM 5196 H H2 . HOH AA 6 . ? 20.742 9.256 27.476 1.00 4.02 ? 521 HOH A H2 1 HETATM 5197 O O . HOH AA 6 . ? 46.307 11.977 24.594 1.00 7.55 ? 522 HOH A O 1 HETATM 5198 H H1 . HOH AA 6 . ? 45.607 12.206 23.970 1.00 7.55 ? 522 HOH A H1 1 HETATM 5199 H H2 . HOH AA 6 . ? 46.985 12.644 24.322 1.00 7.55 ? 522 HOH A H2 1 HETATM 5200 O O . HOH AA 6 . ? 42.213 23.988 3.674 1.00 9.93 ? 523 HOH A O 1 HETATM 5201 H H1 . HOH AA 6 . ? 41.321 23.887 3.309 1.00 9.93 ? 523 HOH A H1 1 HETATM 5202 H H2 . HOH AA 6 . ? 42.383 24.919 3.473 1.00 9.93 ? 523 HOH A H2 1 HETATM 5203 O O . HOH AA 6 . ? 39.054 5.471 16.961 1.00 6.02 ? 524 HOH A O 1 HETATM 5204 H H1 . HOH AA 6 . ? 39.568 5.843 17.697 1.00 6.02 ? 524 HOH A H1 1 HETATM 5205 H H2 . HOH AA 6 . ? 39.577 4.679 16.762 1.00 6.02 ? 524 HOH A H2 1 HETATM 5206 O O . HOH AA 6 . ? 37.245 28.201 10.986 1.00 3.85 ? 525 HOH A O 1 HETATM 5207 H H1 . HOH AA 6 . ? 36.488 28.583 11.450 1.00 3.85 ? 525 HOH A H1 1 HETATM 5208 H H2 . HOH AA 6 . ? 36.907 28.103 10.084 1.00 3.85 ? 525 HOH A H2 1 HETATM 5209 O O . HOH AA 6 . ? 39.332 14.516 24.807 1.00 4.80 ? 526 HOH A O 1 HETATM 5210 H H1 . HOH AA 6 . ? 38.826 14.629 25.626 1.00 4.80 ? 526 HOH A H1 1 HETATM 5211 H H2 . HOH AA 6 . ? 39.337 13.552 24.721 1.00 4.80 ? 526 HOH A H2 1 HETATM 5212 O O . HOH AA 6 . ? 38.929 24.322 2.489 1.00 8.37 ? 527 HOH A O 1 HETATM 5213 H H1 . HOH AA 6 . ? 38.234 24.562 1.865 1.00 8.37 ? 527 HOH A H1 1 HETATM 5214 H H2 . HOH AA 6 . ? 38.991 23.366 2.394 1.00 8.37 ? 527 HOH A H2 1 HETATM 5215 O O . HOH AA 6 . ? 36.812 11.164 14.154 1.00 6.69 ? 528 HOH A O 1 HETATM 5216 H H1 . HOH AA 6 . ? 36.591 10.895 13.251 1.00 6.69 ? 528 HOH A H1 1 HETATM 5217 H H2 . HOH AA 6 . ? 36.363 12.017 14.236 1.00 6.69 ? 528 HOH A H2 1 HETATM 5218 O O . HOH AA 6 . ? 38.282 5.567 14.364 1.00 5.38 ? 529 HOH A O 1 HETATM 5219 H H1 . HOH AA 6 . ? 38.477 4.627 14.229 1.00 5.38 ? 529 HOH A H1 1 HETATM 5220 H H2 . HOH AA 6 . ? 38.383 5.610 15.341 1.00 5.38 ? 529 HOH A H2 1 HETATM 5221 O O . HOH AA 6 . ? 18.397 20.508 11.715 1.00 3.69 ? 530 HOH A O 1 HETATM 5222 H H1 . HOH AA 6 . ? 19.088 21.080 11.341 1.00 3.69 ? 530 HOH A H1 1 HETATM 5223 H H2 . HOH AA 6 . ? 18.188 19.976 10.914 1.00 3.69 ? 530 HOH A H2 1 HETATM 5224 O O . HOH AA 6 . ? 22.173 6.411 19.847 1.00 5.97 ? 531 HOH A O 1 HETATM 5225 H H1 . HOH AA 6 . ? 21.969 6.568 20.782 1.00 5.97 ? 531 HOH A H1 1 HETATM 5226 H H2 . HOH AA 6 . ? 21.352 6.612 19.386 1.00 5.97 ? 531 HOH A H2 1 HETATM 5227 O O . HOH AA 6 . ? 38.987 -1.076 20.219 1.00 3.56 ? 532 HOH A O 1 HETATM 5228 H H1 . HOH AA 6 . ? 39.813 -1.558 20.417 1.00 3.56 ? 532 HOH A H1 1 HETATM 5229 H H2 . HOH AA 6 . ? 38.690 -0.882 21.115 1.00 3.56 ? 532 HOH A H2 1 HETATM 5230 O O . HOH AA 6 . ? 41.718 26.151 17.024 1.00 7.68 ? 533 HOH A O 1 HETATM 5231 H H1 . HOH AA 6 . ? 41.882 26.457 16.125 1.00 7.68 ? 533 HOH A H1 1 HETATM 5232 H H2 . HOH AA 6 . ? 42.022 26.919 17.568 1.00 7.68 ? 533 HOH A H2 1 HETATM 5233 O O . HOH AA 6 . ? 24.383 20.490 21.636 1.00 4.02 ? 534 HOH A O 1 HETATM 5234 H H1 . HOH AA 6 . ? 24.289 19.621 21.209 1.00 4.02 ? 534 HOH A H1 1 HETATM 5235 H H2 . HOH AA 6 . ? 25.131 20.343 22.222 1.00 4.02 ? 534 HOH A H2 1 HETATM 5236 O O . HOH AA 6 . ? 45.270 14.830 5.483 1.00 4.30 ? 535 HOH A O 1 HETATM 5237 H H1 . HOH AA 6 . ? 45.253 15.427 6.241 1.00 4.30 ? 535 HOH A H1 1 HETATM 5238 H H2 . HOH AA 6 . ? 46.003 15.217 4.962 1.00 4.30 ? 535 HOH A H2 1 HETATM 5239 O O . HOH AA 6 . ? 47.758 6.153 29.242 1.00 7.94 ? 536 HOH A O 1 HETATM 5240 H H1 . HOH AA 6 . ? 47.332 6.007 30.115 1.00 7.94 ? 536 HOH A H1 1 HETATM 5241 H H2 . HOH AA 6 . ? 48.687 5.987 29.505 1.00 7.94 ? 536 HOH A H2 1 HETATM 5242 O O . HOH AA 6 . ? 14.654 27.497 19.231 1.00 6.88 ? 537 HOH A O 1 HETATM 5243 H H1 . HOH AA 6 . ? 15.125 26.725 19.580 1.00 6.88 ? 537 HOH A H1 1 HETATM 5244 H H2 . HOH AA 6 . ? 13.849 27.445 19.773 1.00 6.88 ? 537 HOH A H2 1 HETATM 5245 O O . HOH AA 6 . ? 40.467 8.670 9.464 1.00 6.30 ? 538 HOH A O 1 HETATM 5246 H H1 . HOH AA 6 . ? 39.845 8.808 8.738 1.00 6.30 ? 538 HOH A H1 1 HETATM 5247 H H2 . HOH AA 6 . ? 41.102 9.391 9.314 1.00 6.30 ? 538 HOH A H2 1 HETATM 5248 O O . HOH AA 6 . ? 24.461 18.073 20.117 1.00 9.07 ? 539 HOH A O 1 HETATM 5249 H H1 . HOH AA 6 . ? 23.984 18.299 19.303 1.00 9.07 ? 539 HOH A H1 1 HETATM 5250 H H2 . HOH AA 6 . ? 25.316 18.479 19.900 1.00 9.07 ? 539 HOH A H2 1 HETATM 5251 O O . HOH AA 6 . ? 41.512 3.530 14.733 1.00 10.54 ? 540 HOH A O 1 HETATM 5252 H H1 . HOH AA 6 . ? 42.324 3.011 14.746 1.00 10.54 ? 540 HOH A H1 1 HETATM 5253 H H2 . HOH AA 6 . ? 41.112 3.306 15.581 1.00 10.54 ? 540 HOH A H2 1 HETATM 5254 O O . HOH AA 6 . ? 25.960 15.775 20.391 1.00 11.31 ? 541 HOH A O 1 HETATM 5255 H H1 . HOH AA 6 . ? 26.225 15.902 21.314 1.00 11.31 ? 541 HOH A H1 1 HETATM 5256 H H2 . HOH AA 6 . ? 25.235 16.417 20.327 1.00 11.31 ? 541 HOH A H2 1 HETATM 5257 O O . HOH AA 6 . ? 39.885 17.069 24.209 1.00 11.14 ? 542 HOH A O 1 HETATM 5258 H H1 . HOH AA 6 . ? 39.699 16.119 24.383 1.00 11.14 ? 542 HOH A H1 1 HETATM 5259 H H2 . HOH AA 6 . ? 40.806 17.160 24.464 1.00 11.14 ? 542 HOH A H2 1 HETATM 5260 O O . HOH AA 6 . ? 47.621 -0.508 20.601 1.00 10.15 ? 543 HOH A O 1 HETATM 5261 H H1 . HOH AA 6 . ? 47.257 0.056 21.288 1.00 10.15 ? 543 HOH A H1 1 HETATM 5262 H H2 . HOH AA 6 . ? 47.157 -1.337 20.793 1.00 10.15 ? 543 HOH A H2 1 HETATM 5263 O O . HOH AA 6 . ? 56.558 27.670 9.601 1.00 5.33 ? 544 HOH A O 1 HETATM 5264 H H1 . HOH AA 6 . ? 56.296 27.223 10.427 1.00 5.33 ? 544 HOH A H1 1 HETATM 5265 H H2 . HOH AA 6 . ? 56.472 26.951 8.961 1.00 5.33 ? 544 HOH A H2 1 HETATM 5266 O O . HOH AA 6 . ? 38.260 19.216 24.554 1.00 9.26 ? 545 HOH A O 1 HETATM 5267 H H1 . HOH AA 6 . ? 38.790 18.402 24.381 1.00 9.26 ? 545 HOH A H1 1 HETATM 5268 H H2 . HOH AA 6 . ? 37.347 18.885 24.441 1.00 9.26 ? 545 HOH A H2 1 HETATM 5269 O O . HOH AA 6 . ? 34.773 -0.714 36.288 1.00 8.57 ? 546 HOH A O 1 HETATM 5270 H H1 . HOH AA 6 . ? 34.325 -1.569 36.286 1.00 8.57 ? 546 HOH A H1 1 HETATM 5271 H H2 . HOH AA 6 . ? 34.547 -0.381 37.171 1.00 8.57 ? 546 HOH A H2 1 HETATM 5272 O O . HOH AA 6 . ? 56.437 26.814 12.300 1.00 8.31 ? 547 HOH A O 1 HETATM 5273 H H1 . HOH AA 6 . ? 57.326 26.479 12.525 1.00 8.31 ? 547 HOH A H1 1 HETATM 5274 H H2 . HOH AA 6 . ? 56.633 27.752 12.435 1.00 8.31 ? 547 HOH A H2 1 HETATM 5275 O O . HOH AA 6 . ? 39.211 25.789 20.600 1.00 8.98 ? 548 HOH A O 1 HETATM 5276 H H1 . HOH AA 6 . ? 39.058 26.633 21.044 1.00 8.98 ? 548 HOH A H1 1 HETATM 5277 H H2 . HOH AA 6 . ? 38.695 25.165 21.154 1.00 8.98 ? 548 HOH A H2 1 HETATM 5278 O O . HOH AA 6 . ? 17.569 2.997 37.634 1.00 9.02 ? 549 HOH A O 1 HETATM 5279 H H1 . HOH AA 6 . ? 18.024 2.469 38.309 1.00 9.02 ? 549 HOH A H1 1 HETATM 5280 H H2 . HOH AA 6 . ? 16.724 3.152 38.079 1.00 9.02 ? 549 HOH A H2 1 HETATM 5281 O O . HOH AA 6 . ? 25.259 12.169 10.945 1.00 10.51 ? 550 HOH A O 1 HETATM 5282 H H1 . HOH AA 6 . ? 24.729 11.638 11.537 1.00 10.51 ? 550 HOH A H1 1 HETATM 5283 H H2 . HOH AA 6 . ? 24.663 12.904 10.811 1.00 10.51 ? 550 HOH A H2 1 HETATM 5284 O O . HOH AA 6 . ? 30.625 35.261 9.301 1.00 10.74 ? 551 HOH A O 1 HETATM 5285 H H1 . HOH AA 6 . ? 31.336 35.742 8.850 1.00 10.74 ? 551 HOH A H1 1 HETATM 5286 H H2 . HOH AA 6 . ? 29.858 35.851 9.142 1.00 10.74 ? 551 HOH A H2 1 HETATM 5287 O O . HOH AA 6 . ? 62.668 21.144 21.492 1.00 6.39 ? 552 HOH A O 1 HETATM 5288 H H1 . HOH AA 6 . ? 62.293 21.163 22.401 1.00 6.39 ? 552 HOH A H1 1 HETATM 5289 H H2 . HOH AA 6 . ? 63.335 21.831 21.587 1.00 6.39 ? 552 HOH A H2 1 HETATM 5290 O O . HOH AA 6 . ? 40.749 20.347 30.997 1.00 12.01 ? 553 HOH A O 1 HETATM 5291 H H1 . HOH AA 6 . ? 40.050 20.118 31.653 1.00 12.01 ? 553 HOH A H1 1 HETATM 5292 H H2 . HOH AA 6 . ? 41.545 20.278 31.532 1.00 12.01 ? 553 HOH A H2 1 HETATM 5293 O O . HOH AA 6 . ? 29.851 12.234 28.179 1.00 8.37 ? 554 HOH A O 1 HETATM 5294 H H1 . HOH AA 6 . ? 29.093 11.648 28.125 1.00 8.37 ? 554 HOH A H1 1 HETATM 5295 H H2 . HOH AA 6 . ? 30.254 12.072 27.320 1.00 8.37 ? 554 HOH A H2 1 HETATM 5296 O O . HOH AA 6 . ? 14.795 10.715 15.298 1.00 7.00 ? 555 HOH A O 1 HETATM 5297 H H1 . HOH AA 6 . ? 14.878 9.746 15.193 1.00 7.00 ? 555 HOH A H1 1 HETATM 5298 H H2 . HOH AA 6 . ? 14.227 10.755 16.071 1.00 7.00 ? 555 HOH A H2 1 HETATM 5299 O O . HOH AA 6 . ? 62.171 21.057 13.324 1.00 9.24 ? 556 HOH A O 1 HETATM 5300 H H1 . HOH AA 6 . ? 62.676 20.240 13.451 1.00 9.24 ? 556 HOH A H1 1 HETATM 5301 H H2 . HOH AA 6 . ? 61.652 20.862 12.519 1.00 9.24 ? 556 HOH A H2 1 HETATM 5302 O O . HOH AA 6 . ? 26.782 3.413 31.091 1.00 12.95 ? 557 HOH A O 1 HETATM 5303 H H1 . HOH AA 6 . ? 26.113 3.737 30.483 1.00 12.95 ? 557 HOH A H1 1 HETATM 5304 H H2 . HOH AA 6 . ? 27.453 3.095 30.467 1.00 12.95 ? 557 HOH A H2 1 HETATM 5305 O O . HOH AA 6 . ? 64.137 15.189 20.250 1.00 12.09 ? 558 HOH A O 1 HETATM 5306 H H1 . HOH AA 6 . ? 64.152 14.861 21.161 1.00 12.09 ? 558 HOH A H1 1 HETATM 5307 H H2 . HOH AA 6 . ? 63.418 14.631 19.875 1.00 12.09 ? 558 HOH A H2 1 HETATM 5308 O O . HOH AA 6 . ? 38.524 19.749 32.809 1.00 9.91 ? 559 HOH A O 1 HETATM 5309 H H1 . HOH AA 6 . ? 38.056 18.980 32.421 1.00 9.91 ? 559 HOH A H1 1 HETATM 5310 H H2 . HOH AA 6 . ? 37.806 20.397 32.937 1.00 9.91 ? 559 HOH A H2 1 HETATM 5311 O O . HOH AA 6 . ? 37.537 17.655 31.256 1.00 9.76 ? 560 HOH A O 1 HETATM 5312 H H1 . HOH AA 6 . ? 37.996 16.805 31.241 1.00 9.76 ? 560 HOH A H1 1 HETATM 5313 H H2 . HOH AA 6 . ? 36.693 17.430 30.857 1.00 9.76 ? 560 HOH A H2 1 HETATM 5314 O O . HOH AA 6 . ? 21.494 30.741 24.206 1.00 9.42 ? 561 HOH A O 1 HETATM 5315 H H1 . HOH AA 6 . ? 21.867 30.842 23.315 1.00 9.42 ? 561 HOH A H1 1 HETATM 5316 H H2 . HOH AA 6 . ? 20.630 30.349 24.011 1.00 9.42 ? 561 HOH A H2 1 HETATM 5317 O O . HOH AA 6 . ? 24.103 1.937 36.660 1.00 9.86 ? 562 HOH A O 1 HETATM 5318 H H1 . HOH AA 6 . ? 24.670 1.530 37.343 1.00 9.86 ? 562 HOH A H1 1 HETATM 5319 H H2 . HOH AA 6 . ? 24.042 2.849 36.986 1.00 9.86 ? 562 HOH A H2 1 HETATM 5320 O O . HOH AA 6 . ? 47.963 13.845 23.746 1.00 10.73 ? 563 HOH A O 1 HETATM 5321 H H1 . HOH AA 6 . ? 48.712 13.910 23.144 1.00 10.73 ? 563 HOH A H1 1 HETATM 5322 H H2 . HOH AA 6 . ? 47.756 14.786 23.842 1.00 10.73 ? 563 HOH A H2 1 HETATM 5323 O O . HOH AA 6 . ? 16.677 27.037 26.283 1.00 10.19 ? 564 HOH A O 1 HETATM 5324 H H1 . HOH AA 6 . ? 15.788 27.411 26.447 1.00 10.19 ? 564 HOH A H1 1 HETATM 5325 H H2 . HOH AA 6 . ? 16.565 26.125 26.593 1.00 10.19 ? 564 HOH A H2 1 HETATM 5326 O O . HOH AA 6 . ? 16.210 9.807 23.647 1.00 10.38 ? 565 HOH A O 1 HETATM 5327 H H1 . HOH AA 6 . ? 17.168 9.894 23.750 1.00 10.38 ? 565 HOH A H1 1 HETATM 5328 H H2 . HOH AA 6 . ? 15.942 9.761 24.587 1.00 10.38 ? 565 HOH A H2 1 HETATM 5329 O O . HOH AA 6 . ? 20.369 26.984 26.356 1.00 15.54 ? 566 HOH A O 1 HETATM 5330 H H1 . HOH AA 6 . ? 20.953 27.765 26.379 1.00 15.54 ? 566 HOH A H1 1 HETATM 5331 H H2 . HOH AA 6 . ? 20.251 26.872 25.408 1.00 15.54 ? 566 HOH A H2 1 HETATM 5332 O O . HOH AA 6 . ? 39.540 21.480 24.402 1.00 13.45 ? 567 HOH A O 1 HETATM 5333 H H1 . HOH AA 6 . ? 38.928 22.203 24.616 1.00 13.45 ? 567 HOH A H1 1 HETATM 5334 H H2 . HOH AA 6 . ? 38.970 20.672 24.455 1.00 13.45 ? 567 HOH A H2 1 HETATM 5335 O O . HOH AA 6 . ? 18.743 8.239 34.995 1.00 11.85 ? 568 HOH A O 1 HETATM 5336 H H1 . HOH AA 6 . ? 19.264 8.547 35.759 1.00 11.85 ? 568 HOH A H1 1 HETATM 5337 H H2 . HOH AA 6 . ? 18.816 7.283 35.136 1.00 11.85 ? 568 HOH A H2 1 HETATM 5338 O O . HOH AA 6 . ? 45.684 12.165 5.640 1.00 12.76 ? 569 HOH A O 1 HETATM 5339 H H1 . HOH AA 6 . ? 45.747 13.135 5.511 1.00 12.76 ? 569 HOH A H1 1 HETATM 5340 H H2 . HOH AA 6 . ? 46.605 11.825 5.601 1.00 12.76 ? 569 HOH A H2 1 HETATM 5341 O O . HOH AA 6 . ? 58.990 28.527 9.952 1.00 8.98 ? 570 HOH A O 1 HETATM 5342 H H1 . HOH AA 6 . ? 59.052 29.423 9.600 1.00 8.98 ? 570 HOH A H1 1 HETATM 5343 H H2 . HOH AA 6 . ? 58.051 28.302 9.752 1.00 8.98 ? 570 HOH A H2 1 HETATM 5344 O O . HOH AA 6 . ? 59.236 27.579 12.657 1.00 9.87 ? 571 HOH A O 1 HETATM 5345 H H1 . HOH AA 6 . ? 59.371 27.983 11.781 1.00 9.87 ? 571 HOH A H1 1 HETATM 5346 H H2 . HOH AA 6 . ? 60.041 27.818 13.133 1.00 9.87 ? 571 HOH A H2 1 HETATM 5347 O O . HOH AA 6 . ? 27.178 2.607 21.341 1.00 7.63 ? 572 HOH A O 1 HETATM 5348 H H1 . HOH AA 6 . ? 27.760 1.885 21.635 1.00 7.63 ? 572 HOH A H1 1 HETATM 5349 H H2 . HOH AA 6 . ? 26.825 2.949 22.176 1.00 7.63 ? 572 HOH A H2 1 HETATM 5350 O O . HOH AA 6 . ? 39.332 17.948 -0.200 1.00 10.79 ? 573 HOH A O 1 HETATM 5351 H H1 . HOH AA 6 . ? 39.674 17.767 0.689 1.00 10.79 ? 573 HOH A H1 1 HETATM 5352 H H2 . HOH AA 6 . ? 39.847 17.296 -0.717 1.00 10.79 ? 573 HOH A H2 1 HETATM 5353 O O . HOH AA 6 . ? 25.928 19.759 6.563 1.00 13.09 ? 574 HOH A O 1 HETATM 5354 H H1 . HOH AA 6 . ? 26.389 19.861 5.717 1.00 13.09 ? 574 HOH A H1 1 HETATM 5355 H H2 . HOH AA 6 . ? 25.372 20.553 6.562 1.00 13.09 ? 574 HOH A H2 1 HETATM 5356 O O . HOH AA 6 . ? 36.985 21.994 32.724 1.00 11.94 ? 575 HOH A O 1 HETATM 5357 H H1 . HOH AA 6 . ? 36.434 22.191 31.960 1.00 11.94 ? 575 HOH A H1 1 HETATM 5358 H H2 . HOH AA 6 . ? 37.538 22.787 32.724 1.00 11.94 ? 575 HOH A H2 1 HETATM 5359 O O . HOH AA 6 . ? 12.825 23.845 18.947 1.00 12.77 ? 576 HOH A O 1 HETATM 5360 H H1 . HOH AA 6 . ? 13.552 23.779 19.576 1.00 12.77 ? 576 HOH A H1 1 HETATM 5361 H H2 . HOH AA 6 . ? 13.216 23.458 18.151 1.00 12.77 ? 576 HOH A H2 1 HETATM 5362 O O . HOH AA 6 . ? 16.154 13.132 30.208 1.00 13.33 ? 577 HOH A O 1 HETATM 5363 H H1 . HOH AA 6 . ? 15.187 13.211 30.278 1.00 13.33 ? 577 HOH A H1 1 HETATM 5364 H H2 . HOH AA 6 . ? 16.396 14.036 29.893 1.00 13.33 ? 577 HOH A H2 1 HETATM 5365 O O . HOH AA 6 . ? 45.491 1.756 11.595 1.00 8.30 ? 578 HOH A O 1 HETATM 5366 H H1 . HOH AA 6 . ? 45.817 2.572 11.988 1.00 8.30 ? 578 HOH A H1 1 HETATM 5367 H H2 . HOH AA 6 . ? 45.773 1.110 12.257 1.00 8.30 ? 578 HOH A H2 1 HETATM 5368 O O . HOH AA 6 . ? 28.333 36.641 9.111 1.00 18.81 ? 579 HOH A O 1 HETATM 5369 H H1 . HOH AA 6 . ? 27.529 36.684 8.572 1.00 18.81 ? 579 HOH A H1 1 HETATM 5370 H H2 . HOH AA 6 . ? 27.996 36.225 9.924 1.00 18.81 ? 579 HOH A H2 1 HETATM 5371 O O . HOH AA 6 . ? 17.199 29.260 19.687 1.00 9.41 ? 580 HOH A O 1 HETATM 5372 H H1 . HOH AA 6 . ? 16.461 28.687 19.428 1.00 9.41 ? 580 HOH A H1 1 HETATM 5373 H H2 . HOH AA 6 . ? 16.986 30.110 19.291 1.00 9.41 ? 580 HOH A H2 1 HETATM 5374 O O . HOH AA 6 . ? 44.540 23.185 -1.021 1.00 13.10 ? 581 HOH A O 1 HETATM 5375 H H1 . HOH AA 6 . ? 43.677 22.770 -1.150 1.00 13.10 ? 581 HOH A H1 1 HETATM 5376 H H2 . HOH AA 6 . ? 45.153 22.478 -1.278 1.00 13.10 ? 581 HOH A H2 1 HETATM 5377 O O . HOH AA 6 . ? 60.425 20.428 11.173 1.00 11.52 ? 582 HOH A O 1 HETATM 5378 H H1 . HOH AA 6 . ? 60.553 19.474 10.993 1.00 11.52 ? 582 HOH A H1 1 HETATM 5379 H H2 . HOH AA 6 . ? 59.472 20.449 11.332 1.00 11.52 ? 582 HOH A H2 1 HETATM 5380 O O . HOH AA 6 . ? 40.301 16.823 33.641 1.00 11.31 ? 583 HOH A O 1 HETATM 5381 H H1 . HOH AA 6 . ? 39.861 17.151 32.845 1.00 11.31 ? 583 HOH A H1 1 HETATM 5382 H H2 . HOH AA 6 . ? 40.980 17.497 33.795 1.00 11.31 ? 583 HOH A H2 1 HETATM 5383 O O . HOH AA 6 . ? 50.181 5.400 30.154 1.00 14.98 ? 584 HOH A O 1 HETATM 5384 H H1 . HOH AA 6 . ? 50.343 4.798 30.893 1.00 14.98 ? 584 HOH A H1 1 HETATM 5385 H H2 . HOH AA 6 . ? 50.774 5.038 29.475 1.00 14.98 ? 584 HOH A H2 1 HETATM 5386 O O . HOH AA 6 . ? 19.197 21.741 8.152 1.00 15.41 ? 585 HOH A O 1 HETATM 5387 H H1 . HOH AA 6 . ? 19.756 22.256 8.740 1.00 15.41 ? 585 HOH A H1 1 HETATM 5388 H H2 . HOH AA 6 . ? 19.448 22.101 7.292 1.00 15.41 ? 585 HOH A H2 1 HETATM 5389 O O . HOH AA 6 . ? 60.612 17.708 10.665 1.00 12.98 ? 586 HOH A O 1 HETATM 5390 H H1 . HOH AA 6 . ? 59.683 17.526 10.448 1.00 12.98 ? 586 HOH A H1 1 HETATM 5391 H H2 . HOH AA 6 . ? 61.053 17.572 9.806 1.00 12.98 ? 586 HOH A H2 1 HETATM 5392 O O . HOH AA 6 . ? 65.203 19.681 12.598 1.00 19.87 ? 587 HOH A O 1 HETATM 5393 H H1 . HOH AA 6 . ? 65.262 19.777 11.635 1.00 19.87 ? 587 HOH A H1 1 HETATM 5394 H H2 . HOH AA 6 . ? 65.427 18.756 12.745 1.00 19.87 ? 587 HOH A H2 1 HETATM 5395 O O . HOH AA 6 . ? 16.810 19.410 25.136 1.00 14.95 ? 588 HOH A O 1 HETATM 5396 H H1 . HOH AA 6 . ? 16.885 18.673 24.514 1.00 14.95 ? 588 HOH A H1 1 HETATM 5397 H H2 . HOH AA 6 . ? 17.315 20.079 24.646 1.00 14.95 ? 588 HOH A H2 1 HETATM 5398 O O . HOH AA 6 . ? 23.289 17.541 5.351 1.00 17.41 ? 589 HOH A O 1 HETATM 5399 H H1 . HOH AA 6 . ? 22.644 18.170 4.944 1.00 17.41 ? 589 HOH A H1 1 HETATM 5400 H H2 . HOH AA 6 . ? 22.960 16.705 4.978 1.00 17.41 ? 589 HOH A H2 1 HETATM 5401 O O . HOH AA 6 . ? 21.977 29.346 26.386 1.00 11.52 ? 590 HOH A O 1 HETATM 5402 H H1 . HOH AA 6 . ? 21.974 29.870 25.550 1.00 11.52 ? 590 HOH A H1 1 HETATM 5403 H H2 . HOH AA 6 . ? 21.221 29.781 26.809 1.00 11.52 ? 590 HOH A H2 1 HETATM 5404 O O . HOH AA 6 . ? 73.100 22.531 16.683 1.00 16.01 ? 591 HOH A O 1 HETATM 5405 H H1 . HOH AA 6 . ? 72.945 21.665 16.256 1.00 16.01 ? 591 HOH A H1 1 HETATM 5406 H H2 . HOH AA 6 . ? 74.021 22.409 16.996 1.00 16.01 ? 591 HOH A H2 1 HETATM 5407 O O . HOH AA 6 . ? 16.844 15.630 29.468 1.00 17.68 ? 592 HOH A O 1 HETATM 5408 H H1 . HOH AA 6 . ? 16.403 16.464 29.695 1.00 17.68 ? 592 HOH A H1 1 HETATM 5409 H H2 . HOH AA 6 . ? 17.427 15.882 28.742 1.00 17.68 ? 592 HOH A H2 1 HETATM 5410 O O . HOH AA 6 . ? 51.850 19.955 16.200 1.00 17.98 ? 593 HOH A O 1 HETATM 5411 H H1 . HOH AA 6 . ? 51.564 19.681 17.074 1.00 17.98 ? 593 HOH A H1 1 HETATM 5412 H H2 . HOH AA 6 . ? 51.665 20.904 16.228 1.00 17.98 ? 593 HOH A H2 1 HETATM 5413 O O . HOH AA 6 . ? 31.355 -0.591 25.653 1.00 16.59 ? 594 HOH A O 1 HETATM 5414 H H1 . HOH AA 6 . ? 30.674 0.042 25.388 1.00 16.59 ? 594 HOH A H1 1 HETATM 5415 H H2 . HOH AA 6 . ? 32.156 -0.070 25.464 1.00 16.59 ? 594 HOH A H2 1 HETATM 5416 O O . HOH AA 6 . ? 28.090 4.435 11.458 1.00 13.07 ? 595 HOH A O 1 HETATM 5417 H H1 . HOH AA 6 . ? 27.731 5.138 12.018 1.00 13.07 ? 595 HOH A H1 1 HETATM 5418 H H2 . HOH AA 6 . ? 28.374 3.797 12.131 1.00 13.07 ? 595 HOH A H2 1 HETATM 5419 O O . HOH AA 6 . ? 16.715 11.039 28.645 1.00 16.30 ? 596 HOH A O 1 HETATM 5420 H H1 . HOH AA 6 . ? 17.385 10.755 29.259 1.00 16.30 ? 596 HOH A H1 1 HETATM 5421 H H2 . HOH AA 6 . ? 16.441 11.872 29.083 1.00 16.30 ? 596 HOH A H2 1 HETATM 5422 O O . HOH AA 6 . ? 31.498 1.108 36.523 1.00 13.96 ? 597 HOH A O 1 HETATM 5423 H H1 . HOH AA 6 . ? 32.346 1.574 36.499 1.00 13.96 ? 597 HOH A H1 1 HETATM 5424 H H2 . HOH AA 6 . ? 31.573 0.543 37.314 1.00 13.96 ? 597 HOH A H2 1 HETATM 5425 O O . HOH AA 6 . ? 39.305 34.518 25.772 1.00 18.67 ? 598 HOH A O 1 HETATM 5426 H H1 . HOH AA 6 . ? 39.728 35.256 25.305 1.00 18.67 ? 598 HOH A H1 1 HETATM 5427 H H2 . HOH AA 6 . ? 39.635 33.733 25.314 1.00 18.67 ? 598 HOH A H2 1 HETATM 5428 O O . HOH AA 6 . ? 25.791 -2.735 28.647 1.00 20.48 ? 599 HOH A O 1 HETATM 5429 H H1 . HOH AA 6 . ? 26.121 -3.647 28.705 1.00 20.48 ? 599 HOH A H1 1 HETATM 5430 H H2 . HOH AA 6 . ? 26.170 -2.554 27.769 1.00 20.48 ? 599 HOH A H2 1 HETATM 5431 O O . HOH AA 6 . ? 61.854 13.916 19.493 1.00 22.24 ? 600 HOH A O 1 HETATM 5432 H H1 . HOH AA 6 . ? 61.163 14.322 20.024 1.00 22.24 ? 600 HOH A H1 1 HETATM 5433 H H2 . HOH AA 6 . ? 61.434 13.065 19.286 1.00 22.24 ? 600 HOH A H2 1 HETATM 5434 O O . HOH AA 6 . ? 44.054 24.179 1.362 1.00 14.37 ? 601 HOH A O 1 HETATM 5435 H H1 . HOH AA 6 . ? 44.326 23.749 0.527 1.00 14.37 ? 601 HOH A H1 1 HETATM 5436 H H2 . HOH AA 6 . ? 43.819 23.448 1.947 1.00 14.37 ? 601 HOH A H2 1 HETATM 5437 O O . HOH AA 6 . ? 37.900 -2.754 18.404 1.00 14.41 ? 602 HOH A O 1 HETATM 5438 H H1 . HOH AA 6 . ? 38.726 -3.117 18.056 1.00 14.41 ? 602 HOH A H1 1 HETATM 5439 H H2 . HOH AA 6 . ? 38.228 -2.110 19.064 1.00 14.41 ? 602 HOH A H2 1 HETATM 5440 O O . HOH AA 6 . ? 50.746 38.388 10.225 1.00 13.29 ? 603 HOH A O 1 HETATM 5441 H H1 . HOH AA 6 . ? 51.192 38.018 9.423 1.00 13.29 ? 603 HOH A H1 1 HETATM 5442 H H2 . HOH AA 6 . ? 50.355 37.588 10.598 1.00 13.29 ? 603 HOH A H2 1 HETATM 5443 O O . HOH AA 6 . ? 71.543 29.451 33.659 1.00 19.30 ? 604 HOH A O 1 HETATM 5444 H H1 . HOH AA 6 . ? 72.303 29.979 33.942 1.00 19.30 ? 604 HOH A H1 1 HETATM 5445 H H2 . HOH AA 6 . ? 71.604 28.711 34.265 1.00 19.30 ? 604 HOH A H2 1 HETATM 5446 O O . HOH AA 6 . ? 43.624 20.092 29.603 1.00 21.55 ? 605 HOH A O 1 HETATM 5447 H H1 . HOH AA 6 . ? 44.569 20.091 29.408 1.00 21.55 ? 605 HOH A H1 1 HETATM 5448 H H2 . HOH AA 6 . ? 43.606 20.352 30.535 1.00 21.55 ? 605 HOH A H2 1 HETATM 5449 O O . HOH AA 6 . ? 39.408 7.981 11.838 1.00 21.00 ? 606 HOH A O 1 HETATM 5450 H H1 . HOH AA 6 . ? 39.755 8.359 10.998 1.00 21.00 ? 606 HOH A H1 1 HETATM 5451 H H2 . HOH AA 6 . ? 39.035 7.156 11.495 1.00 21.00 ? 606 HOH A H2 1 HETATM 5452 O O . HOH AA 6 . ? 56.095 20.949 4.646 1.00 17.29 ? 607 HOH A O 1 HETATM 5453 H H1 . HOH AA 6 . ? 55.475 21.236 5.331 1.00 17.29 ? 607 HOH A H1 1 HETATM 5454 H H2 . HOH AA 6 . ? 56.935 21.037 5.147 1.00 17.29 ? 607 HOH A H2 1 HETATM 5455 O O . HOH AA 6 . ? 15.243 7.907 15.643 1.00 21.63 ? 608 HOH A O 1 HETATM 5456 H H1 . HOH AA 6 . ? 15.262 7.557 16.548 1.00 21.63 ? 608 HOH A H1 1 HETATM 5457 H H2 . HOH AA 6 . ? 16.066 7.566 15.279 1.00 21.63 ? 608 HOH A H2 1 HETATM 5458 O O . HOH AA 6 . ? 39.471 25.884 26.990 1.00 15.57 ? 609 HOH A O 1 HETATM 5459 H H1 . HOH AA 6 . ? 39.031 25.654 27.812 1.00 15.57 ? 609 HOH A H1 1 HETATM 5460 H H2 . HOH AA 6 . ? 39.530 26.861 27.121 1.00 15.57 ? 609 HOH A H2 1 HETATM 5461 O O . HOH AA 6 . ? 59.782 13.508 25.574 1.00 19.00 ? 610 HOH A O 1 HETATM 5462 H H1 . HOH AA 6 . ? 59.850 13.850 26.491 1.00 19.00 ? 610 HOH A H1 1 HETATM 5463 H H2 . HOH AA 6 . ? 60.367 14.130 25.125 1.00 19.00 ? 610 HOH A H2 1 HETATM 5464 O O . HOH AA 6 . ? 52.639 1.899 17.886 1.00 16.02 ? 611 HOH A O 1 HETATM 5465 H H1 . HOH AA 6 . ? 53.580 1.645 17.950 1.00 16.02 ? 611 HOH A H1 1 HETATM 5466 H H2 . HOH AA 6 . ? 52.461 2.148 18.804 1.00 16.02 ? 611 HOH A H2 1 HETATM 5467 O O . HOH AA 6 . ? 62.016 22.175 25.986 1.00 17.24 ? 612 HOH A O 1 HETATM 5468 H H1 . HOH AA 6 . ? 61.720 22.003 25.046 1.00 17.24 ? 612 HOH A H1 1 HETATM 5469 H H2 . HOH AA 6 . ? 61.265 22.700 26.292 1.00 17.24 ? 612 HOH A H2 1 HETATM 5470 O O . HOH AA 6 . ? 41.936 24.545 23.000 1.00 19.17 ? 613 HOH A O 1 HETATM 5471 H H1 . HOH AA 6 . ? 42.538 24.293 23.736 1.00 19.17 ? 613 HOH A H1 1 HETATM 5472 H H2 . HOH AA 6 . ? 42.491 25.108 22.459 1.00 19.17 ? 613 HOH A H2 1 HETATM 5473 O O . HOH AA 6 . ? 60.016 19.015 29.567 1.00 20.24 ? 614 HOH A O 1 HETATM 5474 H H1 . HOH AA 6 . ? 60.757 19.000 28.937 1.00 20.24 ? 614 HOH A H1 1 HETATM 5475 H H2 . HOH AA 6 . ? 60.264 19.806 30.072 1.00 20.24 ? 614 HOH A H2 1 HETATM 5476 O O . HOH AA 6 . ? 39.117 26.798 33.525 1.00 21.01 ? 615 HOH A O 1 HETATM 5477 H H1 . HOH AA 6 . ? 38.373 27.413 33.473 1.00 21.01 ? 615 HOH A H1 1 HETATM 5478 H H2 . HOH AA 6 . ? 39.175 26.690 34.498 1.00 21.01 ? 615 HOH A H2 1 HETATM 5479 O O A HOH AA 6 . ? 32.102 -6.800 29.635 0.60 11.43 ? 616 HOH A O 1 HETATM 5480 O O B HOH AA 6 . ? 32.163 -5.571 30.455 0.40 13.05 ? 616 HOH A O 1 HETATM 5481 H H1 A HOH AA 6 . ? 31.241 -7.142 29.920 0.60 11.43 ? 616 HOH A H1 1 HETATM 5482 H H1 B HOH AA 6 . ? 31.239 -5.855 30.543 0.40 13.05 ? 616 HOH A H1 1 HETATM 5483 H H2 A HOH AA 6 . ? 31.878 -5.866 29.490 0.60 11.43 ? 616 HOH A H2 1 HETATM 5484 H H2 B HOH AA 6 . ? 32.010 -4.676 30.114 0.40 13.05 ? 616 HOH A H2 1 HETATM 5485 O O A HOH AA 6 . ? 39.393 -4.074 30.870 0.60 3.98 ? 617 HOH A O 1 HETATM 5486 O O B HOH AA 6 . ? 39.800 -5.966 29.772 0.40 12.68 ? 617 HOH A O 1 HETATM 5487 H H1 A HOH AA 6 . ? 39.659 -4.558 31.678 0.60 3.98 ? 617 HOH A H1 1 HETATM 5488 H H1 B HOH AA 6 . ? 39.947 -5.253 29.160 0.40 12.68 ? 617 HOH A H1 1 HETATM 5489 H H2 A HOH AA 6 . ? 38.455 -3.881 31.070 0.60 3.98 ? 617 HOH A H2 1 HETATM 5490 H H2 B HOH AA 6 . ? 39.474 -5.551 30.583 0.40 12.68 ? 617 HOH A H2 1 HETATM 5491 O O . HOH AA 6 . ? 59.322 35.931 15.027 1.00 18.68 ? 618 HOH A O 1 HETATM 5492 H H1 . HOH AA 6 . ? 59.156 35.130 15.532 1.00 18.68 ? 618 HOH A H1 1 HETATM 5493 H H2 . HOH AA 6 . ? 60.208 35.753 14.626 1.00 18.68 ? 618 HOH A H2 1 HETATM 5494 O O . HOH AA 6 . ? 29.378 -2.375 37.673 1.00 19.69 ? 619 HOH A O 1 HETATM 5495 H H1 . HOH AA 6 . ? 28.526 -1.924 37.847 1.00 19.69 ? 619 HOH A H1 1 HETATM 5496 H H2 . HOH AA 6 . ? 29.582 -1.995 36.781 1.00 19.69 ? 619 HOH A H2 1 HETATM 5497 O O . HOH AA 6 . ? 45.390 38.703 24.443 1.00 19.67 ? 620 HOH A O 1 HETATM 5498 H H1 . HOH AA 6 . ? 45.248 37.754 24.587 1.00 19.67 ? 620 HOH A H1 1 HETATM 5499 H H2 . HOH AA 6 . ? 45.614 38.935 25.364 1.00 19.67 ? 620 HOH A H2 1 HETATM 5500 O O . HOH AA 6 . ? 58.266 30.972 27.620 1.00 18.75 ? 621 HOH A O 1 HETATM 5501 H H1 . HOH AA 6 . ? 57.946 31.864 27.413 1.00 18.75 ? 621 HOH A H1 1 HETATM 5502 H H2 . HOH AA 6 . ? 57.588 30.654 28.220 1.00 18.75 ? 621 HOH A H2 1 HETATM 5503 O O . HOH AA 6 . ? 40.715 27.878 31.513 1.00 19.13 ? 622 HOH A O 1 HETATM 5504 H H1 . HOH AA 6 . ? 40.083 27.412 32.104 1.00 19.13 ? 622 HOH A H1 1 HETATM 5505 H H2 . HOH AA 6 . ? 41.540 27.697 31.978 1.00 19.13 ? 622 HOH A H2 1 HETATM 5506 O O . HOH AA 6 . ? 29.204 2.295 37.160 1.00 18.50 ? 623 HOH A O 1 HETATM 5507 H H1 . HOH AA 6 . ? 29.305 1.967 38.063 1.00 18.50 ? 623 HOH A H1 1 HETATM 5508 H H2 . HOH AA 6 . ? 30.006 1.912 36.735 1.00 18.50 ? 623 HOH A H2 1 HETATM 5509 O O . HOH AA 6 . ? 51.282 31.949 26.583 1.00 24.87 ? 624 HOH A O 1 HETATM 5510 H H1 . HOH AA 6 . ? 50.336 31.871 26.765 1.00 24.87 ? 624 HOH A H1 1 HETATM 5511 H H2 . HOH AA 6 . ? 51.514 31.041 26.371 1.00 24.87 ? 624 HOH A H2 1 HETATM 5512 O O . HOH AA 6 . ? 27.841 -3.589 21.880 1.00 19.43 ? 625 HOH A O 1 HETATM 5513 H H1 . HOH AA 6 . ? 27.138 -3.593 21.204 1.00 19.43 ? 625 HOH A H1 1 HETATM 5514 H H2 . HOH AA 6 . ? 28.631 -3.404 21.349 1.00 19.43 ? 625 HOH A H2 1 HETATM 5515 O O . HOH AA 6 . ? 40.947 21.831 27.114 1.00 20.30 ? 626 HOH A O 1 HETATM 5516 H H1 . HOH AA 6 . ? 41.898 21.742 26.935 1.00 20.30 ? 626 HOH A H1 1 HETATM 5517 H H2 . HOH AA 6 . ? 40.611 21.778 26.195 1.00 20.30 ? 626 HOH A H2 1 HETATM 5518 O O . HOH AA 6 . ? 24.228 35.267 10.740 1.00 19.24 ? 627 HOH A O 1 HETATM 5519 H H1 . HOH AA 6 . ? 24.280 36.238 10.687 1.00 19.24 ? 627 HOH A H1 1 HETATM 5520 H H2 . HOH AA 6 . ? 25.027 35.074 11.245 1.00 19.24 ? 627 HOH A H2 1 HETATM 5521 O O . HOH AA 6 . ? 18.877 3.961 21.508 1.00 20.19 ? 628 HOH A O 1 HETATM 5522 H H1 . HOH AA 6 . ? 18.341 4.754 21.653 1.00 20.19 ? 628 HOH A H1 1 HETATM 5523 H H2 . HOH AA 6 . ? 18.460 3.577 20.728 1.00 20.19 ? 628 HOH A H2 1 HETATM 5524 O O . HOH AA 6 . ? 38.706 13.841 35.973 1.00 16.97 ? 629 HOH A O 1 HETATM 5525 H H1 . HOH AA 6 . ? 39.681 13.990 35.883 1.00 16.97 ? 629 HOH A H1 1 HETATM 5526 H H2 . HOH AA 6 . ? 38.562 13.226 35.241 1.00 16.97 ? 629 HOH A H2 1 HETATM 5527 O O . HOH AA 6 . ? 43.489 1.282 9.732 1.00 25.13 ? 630 HOH A O 1 HETATM 5528 H H1 . HOH AA 6 . ? 44.239 1.511 10.323 1.00 25.13 ? 630 HOH A H1 1 HETATM 5529 H H2 . HOH AA 6 . ? 43.813 1.576 8.864 1.00 25.13 ? 630 HOH A H2 1 HETATM 5530 O O . HOH AA 6 . ? 54.079 22.779 31.792 1.00 21.00 ? 631 HOH A O 1 HETATM 5531 H H1 . HOH AA 6 . ? 54.077 21.982 31.256 1.00 21.00 ? 631 HOH A H1 1 HETATM 5532 H H2 . HOH AA 6 . ? 53.145 22.992 31.881 1.00 21.00 ? 631 HOH A H2 1 HETATM 5533 O O . HOH AA 6 . ? 38.643 30.179 -3.055 1.00 15.57 ? 632 HOH A O 1 HETATM 5534 H H1 . HOH AA 6 . ? 39.049 30.110 -2.184 1.00 15.57 ? 632 HOH A H1 1 HETATM 5535 H H2 . HOH AA 6 . ? 38.409 31.110 -3.073 1.00 15.57 ? 632 HOH A H2 1 HETATM 5536 O O . HOH AA 6 . ? 41.364 -2.474 33.989 1.00 22.02 ? 633 HOH A O 1 HETATM 5537 H H1 . HOH AA 6 . ? 41.334 -2.006 34.855 1.00 22.02 ? 633 HOH A H1 1 HETATM 5538 H H2 . HOH AA 6 . ? 40.949 -1.811 33.425 1.00 22.02 ? 633 HOH A H2 1 HETATM 5539 O O . HOH AA 6 . ? 45.846 31.013 -4.241 1.00 24.00 ? 634 HOH A O 1 HETATM 5540 H H1 . HOH AA 6 . ? 46.230 30.468 -4.929 1.00 24.00 ? 634 HOH A H1 1 HETATM 5541 H H2 . HOH AA 6 . ? 45.471 31.756 -4.740 1.00 24.00 ? 634 HOH A H2 1 HETATM 5542 O O . HOH AA 6 . ? 21.037 34.930 21.724 1.00 22.61 ? 635 HOH A O 1 HETATM 5543 H H1 . HOH AA 6 . ? 21.238 34.534 22.594 1.00 22.61 ? 635 HOH A H1 1 HETATM 5544 H H2 . HOH AA 6 . ? 20.859 35.858 21.936 1.00 22.61 ? 635 HOH A H2 1 HETATM 5545 O O . HOH AA 6 . ? 46.763 5.486 31.705 1.00 19.15 ? 636 HOH A O 1 HETATM 5546 H H1 . HOH AA 6 . ? 46.496 6.056 32.453 1.00 19.15 ? 636 HOH A H1 1 HETATM 5547 H H2 . HOH AA 6 . ? 46.501 4.626 32.069 1.00 19.15 ? 636 HOH A H2 1 HETATM 5548 O O . HOH AA 6 . ? 40.496 7.306 14.014 1.00 17.69 ? 637 HOH A O 1 HETATM 5549 H H1 . HOH AA 6 . ? 39.824 6.647 14.273 1.00 17.69 ? 637 HOH A H1 1 HETATM 5550 H H2 . HOH AA 6 . ? 40.039 7.693 13.232 1.00 17.69 ? 637 HOH A H2 1 HETATM 5551 O O . HOH AA 6 . ? 36.959 -3.620 31.533 1.00 22.38 ? 638 HOH A O 1 HETATM 5552 H H1 . HOH AA 6 . ? 36.734 -3.460 32.455 1.00 22.38 ? 638 HOH A H1 1 HETATM 5553 H H2 . HOH AA 6 . ? 36.156 -4.088 31.213 1.00 22.38 ? 638 HOH A H2 1 HETATM 5554 O O . HOH AA 6 . ? 22.887 30.999 34.210 1.00 25.74 ? 639 HOH A O 1 HETATM 5555 H H1 . HOH AA 6 . ? 22.635 31.213 35.117 1.00 25.74 ? 639 HOH A H1 1 HETATM 5556 H H2 . HOH AA 6 . ? 23.259 31.827 33.877 1.00 25.74 ? 639 HOH A H2 1 HETATM 5557 O O . HOH AA 6 . ? 57.478 36.459 13.114 1.00 19.65 ? 640 HOH A O 1 HETATM 5558 H H1 . HOH AA 6 . ? 57.818 35.674 12.666 1.00 19.65 ? 640 HOH A H1 1 HETATM 5559 H H2 . HOH AA 6 . ? 58.055 36.464 13.907 1.00 19.65 ? 640 HOH A H2 1 HETATM 5560 O O . HOH AA 6 . ? 20.467 24.846 38.677 1.00 23.55 ? 641 HOH A O 1 HETATM 5561 H H1 . HOH AA 6 . ? 20.421 23.893 38.809 1.00 23.55 ? 641 HOH A H1 1 HETATM 5562 H H2 . HOH AA 6 . ? 20.999 24.892 37.868 1.00 23.55 ? 641 HOH A H2 1 HETATM 5563 O O . HOH AA 6 . ? 47.778 10.592 5.641 1.00 19.29 ? 642 HOH A O 1 HETATM 5564 H H1 . HOH AA 6 . ? 48.562 10.307 5.124 1.00 19.29 ? 642 HOH A H1 1 HETATM 5565 H H2 . HOH AA 6 . ? 47.545 9.738 6.026 1.00 19.29 ? 642 HOH A H2 1 HETATM 5566 O O . HOH AA 6 . ? 35.134 -3.462 18.435 1.00 25.25 ? 643 HOH A O 1 HETATM 5567 H H1 . HOH AA 6 . ? 35.100 -2.786 19.132 1.00 25.25 ? 643 HOH A H1 1 HETATM 5568 H H2 . HOH AA 6 . ? 36.112 -3.451 18.313 1.00 25.25 ? 643 HOH A H2 1 HETATM 5569 O O . HOH AA 6 . ? 52.113 37.456 8.124 1.00 20.63 ? 644 HOH A O 1 HETATM 5570 H H1 . HOH AA 6 . ? 52.592 36.636 7.929 1.00 20.63 ? 644 HOH A H1 1 HETATM 5571 H H2 . HOH AA 6 . ? 52.859 38.094 8.206 1.00 20.63 ? 644 HOH A H2 1 HETATM 5572 O O . HOH AA 6 . ? 48.737 16.004 34.429 1.00 20.94 ? 645 HOH A O 1 HETATM 5573 H H1 . HOH AA 6 . ? 49.140 16.409 35.209 1.00 20.94 ? 645 HOH A H1 1 HETATM 5574 H H2 . HOH AA 6 . ? 48.342 16.780 34.001 1.00 20.94 ? 645 HOH A H2 1 HETATM 5575 O O . HOH AA 6 . ? 40.252 10.800 41.305 1.00 20.54 ? 646 HOH A O 1 HETATM 5576 H H1 . HOH AA 6 . ? 41.057 10.274 41.143 1.00 20.54 ? 646 HOH A H1 1 HETATM 5577 H H2 . HOH AA 6 . ? 39.678 10.485 40.611 1.00 20.54 ? 646 HOH A H2 1 HETATM 5578 O O . HOH AA 6 . ? 56.479 31.935 3.394 1.00 22.39 ? 647 HOH A O 1 HETATM 5579 H H1 . HOH AA 6 . ? 55.850 31.902 2.637 1.00 22.39 ? 647 HOH A H1 1 HETATM 5580 H H2 . HOH AA 6 . ? 57.102 32.582 3.049 1.00 22.39 ? 647 HOH A H2 1 HETATM 5581 O O . HOH AA 6 . ? 28.932 35.874 34.025 1.00 24.19 ? 648 HOH A O 1 HETATM 5582 H H1 . HOH AA 6 . ? 28.980 35.723 33.080 1.00 24.19 ? 648 HOH A H1 1 HETATM 5583 H H2 . HOH AA 6 . ? 28.141 36.418 34.134 1.00 24.19 ? 648 HOH A H2 1 HETATM 5584 O O . HOH AA 6 . ? 44.239 -2.537 11.953 1.00 26.70 ? 649 HOH A O 1 HETATM 5585 H H1 . HOH AA 6 . ? 43.466 -2.835 11.452 1.00 26.70 ? 649 HOH A H1 1 HETATM 5586 H H2 . HOH AA 6 . ? 44.307 -3.262 12.603 1.00 26.70 ? 649 HOH A H2 1 HETATM 5587 O O . HOH AA 6 . ? 54.996 15.388 32.079 1.00 21.04 ? 650 HOH A O 1 HETATM 5588 H H1 . HOH AA 6 . ? 54.914 14.505 32.469 1.00 21.04 ? 650 HOH A H1 1 HETATM 5589 H H2 . HOH AA 6 . ? 54.424 15.252 31.295 1.00 21.04 ? 650 HOH A H2 1 HETATM 5590 O O . HOH AA 6 . ? 29.857 38.865 8.179 1.00 20.25 ? 651 HOH A O 1 HETATM 5591 H H1 . HOH AA 6 . ? 29.381 38.150 8.642 1.00 20.25 ? 651 HOH A H1 1 HETATM 5592 H H2 . HOH AA 6 . ? 30.250 38.341 7.443 1.00 20.25 ? 651 HOH A H2 1 HETATM 5593 O O . HOH AA 6 . ? 38.472 32.806 31.590 1.00 22.83 ? 652 HOH A O 1 HETATM 5594 H H1 . HOH AA 6 . ? 38.887 33.384 32.235 1.00 22.83 ? 652 HOH A H1 1 HETATM 5595 H H2 . HOH AA 6 . ? 37.524 33.034 31.749 1.00 22.83 ? 652 HOH A H2 1 HETATM 5596 O O . HOH AA 6 . ? 23.654 30.678 30.304 1.00 19.26 ? 653 HOH A O 1 HETATM 5597 H H1 . HOH AA 6 . ? 24.096 31.469 30.632 1.00 19.26 ? 653 HOH A H1 1 HETATM 5598 H H2 . HOH AA 6 . ? 24.042 30.542 29.434 1.00 19.26 ? 653 HOH A H2 1 HETATM 5599 O O . HOH AA 6 . ? 21.786 33.936 10.100 1.00 28.78 ? 654 HOH A O 1 HETATM 5600 H H1 . HOH AA 6 . ? 21.089 33.728 10.763 1.00 28.78 ? 654 HOH A H1 1 HETATM 5601 H H2 . HOH AA 6 . ? 22.494 34.349 10.632 1.00 28.78 ? 654 HOH A H2 1 HETATM 5602 O O . HOH AA 6 . ? 72.848 24.842 14.661 1.00 27.83 ? 655 HOH A O 1 HETATM 5603 H H1 . HOH AA 6 . ? 72.491 25.444 15.331 1.00 27.83 ? 655 HOH A H1 1 HETATM 5604 H H2 . HOH AA 6 . ? 72.970 24.030 15.188 1.00 27.83 ? 655 HOH A H2 1 HETATM 5605 O O . HOH AA 6 . ? 35.725 -6.480 27.270 1.00 22.04 ? 656 HOH A O 1 HETATM 5606 H H1 . HOH AA 6 . ? 35.849 -6.736 28.218 1.00 22.04 ? 656 HOH A H1 1 HETATM 5607 H H2 . HOH AA 6 . ? 36.637 -6.725 26.969 1.00 22.04 ? 656 HOH A H2 1 HETATM 5608 O O . HOH AA 6 . ? 51.015 -0.185 17.310 1.00 22.68 ? 657 HOH A O 1 HETATM 5609 H H1 . HOH AA 6 . ? 50.154 -0.036 17.719 1.00 22.68 ? 657 HOH A H1 1 HETATM 5610 H H2 . HOH AA 6 . ? 51.546 0.605 17.527 1.00 22.68 ? 657 HOH A H2 1 HETATM 5611 O O . HOH AA 6 . ? 48.734 35.867 4.721 1.00 24.25 ? 658 HOH A O 1 HETATM 5612 H H1 . HOH AA 6 . ? 48.825 34.928 4.513 1.00 24.25 ? 658 HOH A H1 1 HETATM 5613 H H2 . HOH AA 6 . ? 48.759 36.259 3.828 1.00 24.25 ? 658 HOH A H2 1 HETATM 5614 O O . HOH AA 6 . ? 57.730 11.344 25.948 1.00 24.84 ? 659 HOH A O 1 HETATM 5615 H H1 . HOH AA 6 . ? 57.729 11.193 26.912 1.00 24.84 ? 659 HOH A H1 1 HETATM 5616 H H2 . HOH AA 6 . ? 58.547 11.865 25.816 1.00 24.84 ? 659 HOH A H2 1 HETATM 5617 O O . HOH AA 6 . ? 36.123 4.726 43.899 1.00 38.25 ? 660 HOH A O 1 HETATM 5618 H H1 . HOH AA 6 . ? 36.166 5.649 44.174 1.00 38.25 ? 660 HOH A H1 1 HETATM 5619 H H2 . HOH AA 6 . ? 35.532 4.351 44.578 1.00 38.25 ? 660 HOH A H2 1 HETATM 5620 O O . HOH AA 6 . ? 24.422 4.804 37.811 1.00 25.72 ? 661 HOH A O 1 HETATM 5621 H H1 . HOH AA 6 . ? 24.274 4.377 38.679 1.00 25.72 ? 661 HOH A H1 1 HETATM 5622 H H2 . HOH AA 6 . ? 24.829 5.630 38.136 1.00 25.72 ? 661 HOH A H2 1 HETATM 5623 O O . HOH AA 6 . ? 19.766 30.968 6.889 1.00 19.19 ? 662 HOH A O 1 HETATM 5624 H H1 . HOH AA 6 . ? 19.407 30.352 6.227 1.00 19.19 ? 662 HOH A H1 1 HETATM 5625 H H2 . HOH AA 6 . ? 19.202 30.767 7.651 1.00 19.19 ? 662 HOH A H2 1 HETATM 5626 O O . HOH AA 6 . ? 54.293 -3.247 19.567 1.00 20.58 ? 663 HOH A O 1 HETATM 5627 H H1 . HOH AA 6 . ? 54.775 -3.749 18.906 1.00 20.58 ? 663 HOH A H1 1 HETATM 5628 H H2 . HOH AA 6 . ? 54.866 -2.450 19.651 1.00 20.58 ? 663 HOH A H2 1 HETATM 5629 O O . HOH AA 6 . ? 16.440 32.696 14.266 1.00 26.49 ? 664 HOH A O 1 HETATM 5630 H H1 . HOH AA 6 . ? 16.501 33.410 14.930 1.00 26.49 ? 664 HOH A H1 1 HETATM 5631 H H2 . HOH AA 6 . ? 16.996 33.069 13.572 1.00 26.49 ? 664 HOH A H2 1 HETATM 5632 O O . HOH AA 6 . ? 46.749 37.717 5.100 1.00 24.67 ? 665 HOH A O 1 HETATM 5633 H H1 . HOH AA 6 . ? 47.499 37.097 5.109 1.00 24.67 ? 665 HOH A H1 1 HETATM 5634 H H2 . HOH AA 6 . ? 47.100 38.469 5.626 1.00 24.67 ? 665 HOH A H2 1 HETATM 5635 O O . HOH AA 6 . ? 38.125 7.547 2.722 1.00 29.04 ? 666 HOH A O 1 HETATM 5636 H H1 . HOH AA 6 . ? 38.735 6.780 2.703 1.00 29.04 ? 666 HOH A H1 1 HETATM 5637 H H2 . HOH AA 6 . ? 37.353 7.199 2.263 1.00 29.04 ? 666 HOH A H2 1 HETATM 5638 O O . HOH AA 6 . ? 29.271 -5.085 30.617 1.00 26.37 ? 667 HOH A O 1 HETATM 5639 H H1 . HOH AA 6 . ? 28.708 -5.351 31.362 1.00 26.37 ? 667 HOH A H1 1 HETATM 5640 H H2 . HOH AA 6 . ? 29.732 -4.328 31.036 1.00 26.37 ? 667 HOH A H2 1 HETATM 5641 O O . HOH AA 6 . ? 54.702 36.767 11.820 1.00 26.62 ? 668 HOH A O 1 HETATM 5642 H H1 . HOH AA 6 . ? 55.580 36.656 12.228 1.00 26.62 ? 668 HOH A H1 1 HETATM 5643 H H2 . HOH AA 6 . ? 54.366 37.514 12.321 1.00 26.62 ? 668 HOH A H2 1 HETATM 5644 O O . HOH AA 6 . ? 29.919 1.412 40.314 1.00 25.53 ? 669 HOH A O 1 HETATM 5645 H H1 . HOH AA 6 . ? 30.435 0.668 39.938 1.00 25.53 ? 669 HOH A H1 1 HETATM 5646 H H2 . HOH AA 6 . ? 30.506 2.152 40.119 1.00 25.53 ? 669 HOH A H2 1 HETATM 5647 O O . HOH AA 6 . ? 22.269 30.667 4.585 1.00 21.83 ? 670 HOH A O 1 HETATM 5648 H H1 . HOH AA 6 . ? 21.414 30.685 4.115 1.00 21.83 ? 670 HOH A H1 1 HETATM 5649 H H2 . HOH AA 6 . ? 22.806 30.149 3.963 1.00 21.83 ? 670 HOH A H2 1 HETATM 5650 O O . HOH AA 6 . ? 15.008 7.072 18.850 1.00 24.78 ? 671 HOH A O 1 HETATM 5651 H H1 . HOH AA 6 . ? 14.413 7.720 19.256 1.00 24.78 ? 671 HOH A H1 1 HETATM 5652 H H2 . HOH AA 6 . ? 15.029 6.371 19.533 1.00 24.78 ? 671 HOH A H2 1 HETATM 5653 O O . HOH AA 6 . ? 40.756 -4.832 17.543 1.00 25.45 ? 672 HOH A O 1 HETATM 5654 H H1 . HOH AA 6 . ? 41.224 -5.638 17.255 1.00 25.45 ? 672 HOH A H1 1 HETATM 5655 H H2 . HOH AA 6 . ? 41.474 -4.203 17.650 1.00 25.45 ? 672 HOH A H2 1 HETATM 5656 O O . HOH AA 6 . ? 19.078 2.973 14.118 1.00 24.79 ? 673 HOH A O 1 HETATM 5657 H H1 . HOH AA 6 . ? 18.579 3.194 14.918 1.00 24.79 ? 673 HOH A H1 1 HETATM 5658 H H2 . HOH AA 6 . ? 19.971 3.276 14.317 1.00 24.79 ? 673 HOH A H2 1 HETATM 5659 O O . HOH AA 6 . ? 37.881 0.550 6.711 1.00 23.18 ? 674 HOH A O 1 HETATM 5660 H H1 . HOH AA 6 . ? 36.995 0.704 6.331 1.00 23.18 ? 674 HOH A H1 1 HETATM 5661 H H2 . HOH AA 6 . ? 38.407 1.222 6.204 1.00 23.18 ? 674 HOH A H2 1 HETATM 5662 O O . HOH AA 6 . ? 71.071 36.960 29.396 1.00 24.53 ? 675 HOH A O 1 HETATM 5663 H H1 . HOH AA 6 . ? 71.562 37.798 29.540 1.00 24.53 ? 675 HOH A H1 1 HETATM 5664 H H2 . HOH AA 6 . ? 71.344 36.431 30.160 1.00 24.53 ? 675 HOH A H2 1 HETATM 5665 O O . HOH AA 6 . ? 23.220 39.013 12.927 1.00 24.96 ? 676 HOH A O 1 HETATM 5666 H H1 . HOH AA 6 . ? 24.176 38.987 12.820 1.00 24.96 ? 676 HOH A H1 1 HETATM 5667 H H2 . HOH AA 6 . ? 22.919 39.087 12.009 1.00 24.96 ? 676 HOH A H2 1 HETATM 5668 O O . HOH AA 6 . ? 64.649 26.087 9.551 1.00 29.89 ? 677 HOH A O 1 HETATM 5669 H H1 . HOH AA 6 . ? 64.075 25.661 10.192 1.00 29.89 ? 677 HOH A H1 1 HETATM 5670 H H2 . HOH AA 6 . ? 65.130 25.342 9.177 1.00 29.89 ? 677 HOH A H2 1 HETATM 5671 O O . HOH AA 6 . ? 55.919 0.357 22.341 1.00 25.31 ? 678 HOH A O 1 HETATM 5672 H H1 . HOH AA 6 . ? 56.736 -0.050 22.669 1.00 25.31 ? 678 HOH A H1 1 HETATM 5673 H H2 . HOH AA 6 . ? 55.398 0.350 23.162 1.00 25.31 ? 678 HOH A H2 1 HETATM 5674 O O . HOH AA 6 . ? 58.931 22.208 6.339 1.00 32.60 ? 679 HOH A O 1 HETATM 5675 H H1 . HOH AA 6 . ? 58.738 23.135 6.179 1.00 32.60 ? 679 HOH A H1 1 HETATM 5676 H H2 . HOH AA 6 . ? 59.573 22.257 7.062 1.00 32.60 ? 679 HOH A H2 1 HETATM 5677 O O . HOH AA 6 . ? 33.765 -3.588 16.122 1.00 25.10 ? 680 HOH A O 1 HETATM 5678 H H1 . HOH AA 6 . ? 34.310 -3.424 16.933 1.00 25.10 ? 680 HOH A H1 1 HETATM 5679 H H2 . HOH AA 6 . ? 33.367 -4.431 16.400 1.00 25.10 ? 680 HOH A H2 1 HETATM 5680 O O . HOH AA 6 . ? 35.902 33.503 32.299 1.00 24.54 ? 681 HOH A O 1 HETATM 5681 H H1 . HOH AA 6 . ? 35.188 33.136 32.833 1.00 24.54 ? 681 HOH A H1 1 HETATM 5682 H H2 . HOH AA 6 . ? 35.433 34.145 31.736 1.00 24.54 ? 681 HOH A H2 1 HETATM 5683 O O . HOH AA 6 . ? 53.530 39.648 15.176 1.00 22.54 ? 682 HOH A O 1 HETATM 5684 H H1 . HOH AA 6 . ? 53.294 38.748 15.415 1.00 22.54 ? 682 HOH A H1 1 HETATM 5685 H H2 . HOH AA 6 . ? 52.667 40.114 15.152 1.00 22.54 ? 682 HOH A H2 1 HETATM 5686 O O . HOH AA 6 . ? 61.173 16.383 25.284 1.00 24.45 ? 683 HOH A O 1 HETATM 5687 H H1 . HOH AA 6 . ? 60.335 16.543 25.730 1.00 24.45 ? 683 HOH A H1 1 HETATM 5688 H H2 . HOH AA 6 . ? 61.553 17.280 25.201 1.00 24.45 ? 683 HOH A H2 1 HETATM 5689 O O . HOH AA 6 . ? 25.878 1.624 38.813 1.00 28.14 ? 684 HOH A O 1 HETATM 5690 H H1 . HOH AA 6 . ? 26.693 2.154 38.827 1.00 28.14 ? 684 HOH A H1 1 HETATM 5691 H H2 . HOH AA 6 . ? 25.339 2.158 39.443 1.00 28.14 ? 684 HOH A H2 1 HETATM 5692 O O . HOH AA 6 . ? 39.601 2.411 5.599 1.00 26.96 ? 685 HOH A O 1 HETATM 5693 H H1 . HOH AA 6 . ? 39.375 3.111 4.967 1.00 26.96 ? 685 HOH A H1 1 HETATM 5694 H H2 . HOH AA 6 . ? 40.556 2.529 5.696 1.00 26.96 ? 685 HOH A H2 1 HETATM 5695 O O . HOH AA 6 . ? 52.329 22.213 0.146 1.00 27.77 ? 686 HOH A O 1 HETATM 5696 H H1 . HOH AA 6 . ? 53.116 22.739 0.051 1.00 27.77 ? 686 HOH A H1 1 HETATM 5697 H H2 . HOH AA 6 . ? 51.650 22.854 0.359 1.00 27.77 ? 686 HOH A H2 1 HETATM 5698 O O . HOH AA 6 . ? 30.824 30.151 0.049 1.00 25.32 ? 687 HOH A O 1 HETATM 5699 H H1 . HOH AA 6 . ? 31.181 30.083 -0.865 1.00 25.32 ? 687 HOH A H1 1 HETATM 5700 H H2 . HOH AA 6 . ? 30.262 30.933 -0.033 1.00 25.32 ? 687 HOH A H2 1 HETATM 5701 O O . HOH AA 6 . ? 60.815 21.592 8.559 1.00 33.36 ? 688 HOH A O 1 HETATM 5702 H H1 . HOH AA 6 . ? 60.934 21.357 9.496 1.00 33.36 ? 688 HOH A H1 1 HETATM 5703 H H2 . HOH AA 6 . ? 60.443 20.771 8.210 1.00 33.36 ? 688 HOH A H2 1 HETATM 5704 O O . HOH AA 6 . ? 44.751 29.645 34.238 1.00 27.46 ? 689 HOH A O 1 HETATM 5705 H H1 . HOH AA 6 . ? 44.975 30.577 34.320 1.00 27.46 ? 689 HOH A H1 1 HETATM 5706 H H2 . HOH AA 6 . ? 43.802 29.676 34.514 1.00 27.46 ? 689 HOH A H2 1 HETATM 5707 O O . HOH AA 6 . ? 27.317 0.574 14.607 1.00 37.58 ? 690 HOH A O 1 HETATM 5708 H H1 . HOH AA 6 . ? 26.545 1.051 14.950 1.00 37.58 ? 690 HOH A H1 1 HETATM 5709 H H2 . HOH AA 6 . ? 27.837 1.322 14.245 1.00 37.58 ? 690 HOH A H2 1 HETATM 5710 O O . HOH AA 6 . ? 57.495 6.915 21.550 1.00 44.15 ? 691 HOH A O 1 HETATM 5711 H H1 . HOH AA 6 . ? 56.638 7.236 21.870 1.00 44.15 ? 691 HOH A H1 1 HETATM 5712 H H2 . HOH AA 6 . ? 57.438 5.967 21.682 1.00 44.15 ? 691 HOH A H2 1 HETATM 5713 O O . HOH AA 6 . ? 25.483 6.792 39.623 1.00 34.38 ? 692 HOH A O 1 HETATM 5714 H H1 . HOH AA 6 . ? 25.850 7.682 39.445 1.00 34.38 ? 692 HOH A H1 1 HETATM 5715 H H2 . HOH AA 6 . ? 24.531 7.011 39.558 1.00 34.38 ? 692 HOH A H2 1 HETATM 5716 O O . HOH AA 6 . ? 20.694 8.469 37.228 1.00 20.61 ? 693 HOH A O 1 HETATM 5717 H H1 . HOH AA 6 . ? 20.404 7.646 37.675 1.00 20.61 ? 693 HOH A H1 1 HETATM 5718 H H2 . HOH AA 6 . ? 21.652 8.464 37.357 1.00 20.61 ? 693 HOH A H2 1 HETATM 5719 O O . HOH AA 6 . ? 32.658 -4.646 19.833 1.00 27.90 ? 694 HOH A O 1 HETATM 5720 H H1 . HOH AA 6 . ? 33.051 -5.314 20.406 1.00 27.90 ? 694 HOH A H1 1 HETATM 5721 H H2 . HOH AA 6 . ? 33.440 -4.308 19.372 1.00 27.90 ? 694 HOH A H2 1 HETATM 5722 O O . HOH AA 6 . ? 38.899 24.168 24.890 1.00 34.34 ? 695 HOH A O 1 HETATM 5723 H H1 . HOH AA 6 . ? 38.960 24.772 25.663 1.00 34.34 ? 695 HOH A H1 1 HETATM 5724 H H2 . HOH AA 6 . ? 39.825 24.208 24.596 1.00 34.34 ? 695 HOH A H2 1 HETATM 5725 O O . HOH AA 6 . ? 45.107 25.058 -3.085 1.00 23.65 ? 696 HOH A O 1 HETATM 5726 H H1 . HOH AA 6 . ? 45.019 24.527 -2.270 1.00 23.65 ? 696 HOH A H1 1 HETATM 5727 H H2 . HOH AA 6 . ? 45.887 24.670 -3.503 1.00 23.65 ? 696 HOH A H2 1 HETATM 5728 O O . HOH AA 6 . ? 15.920 5.212 35.224 1.00 26.50 ? 697 HOH A O 1 HETATM 5729 H H1 . HOH AA 6 . ? 15.588 6.109 35.036 1.00 26.50 ? 697 HOH A H1 1 HETATM 5730 H H2 . HOH AA 6 . ? 16.879 5.304 35.102 1.00 26.50 ? 697 HOH A H2 1 HETATM 5731 O O A HOH AA 6 . ? 46.655 -2.438 28.964 0.50 11.59 ? 698 HOH A O 1 HETATM 5732 O O B HOH AA 6 . ? 48.804 -2.144 28.314 0.50 9.44 ? 698 HOH A O 1 HETATM 5733 H H1 A HOH AA 6 . ? 45.854 -2.001 28.648 0.50 11.59 ? 698 HOH A H1 1 HETATM 5734 H H1 B HOH AA 6 . ? 48.111 -2.031 28.977 0.50 9.44 ? 698 HOH A H1 1 HETATM 5735 H H2 A HOH AA 6 . ? 46.453 -2.523 29.913 0.50 11.59 ? 698 HOH A H2 1 HETATM 5736 H H2 B HOH AA 6 . ? 49.417 -1.434 28.546 0.50 9.44 ? 698 HOH A H2 1 HETATM 5737 O O . HOH AA 6 . ? 61.755 35.732 13.898 1.00 31.75 ? 699 HOH A O 1 HETATM 5738 H H1 . HOH AA 6 . ? 62.059 36.290 13.156 1.00 31.75 ? 699 HOH A H1 1 HETATM 5739 H H2 . HOH AA 6 . ? 62.587 35.289 14.131 1.00 31.75 ? 699 HOH A H2 1 HETATM 5740 O O . HOH AA 6 . ? 30.923 0.675 15.330 1.00 29.09 ? 700 HOH A O 1 HETATM 5741 H H1 . HOH AA 6 . ? 30.148 0.201 15.673 1.00 29.09 ? 700 HOH A H1 1 HETATM 5742 H H2 . HOH AA 6 . ? 31.440 -0.050 14.934 1.00 29.09 ? 700 HOH A H2 1 HETATM 5743 O O . HOH AA 6 . ? 34.390 34.992 29.852 1.00 30.04 ? 701 HOH A O 1 HETATM 5744 H H1 . HOH AA 6 . ? 34.302 35.347 28.957 1.00 30.04 ? 701 HOH A H1 1 HETATM 5745 H H2 . HOH AA 6 . ? 33.514 34.630 30.018 1.00 30.04 ? 701 HOH A H2 1 HETATM 5746 O O . HOH AA 6 . ? 40.289 -5.045 33.381 1.00 31.38 ? 702 HOH A O 1 HETATM 5747 H H1 . HOH AA 6 . ? 40.304 -5.440 34.277 1.00 31.38 ? 702 HOH A H1 1 HETATM 5748 H H2 . HOH AA 6 . ? 40.780 -4.215 33.560 1.00 31.38 ? 702 HOH A H2 1 HETATM 5749 O O . HOH AA 6 . ? 43.203 5.466 33.059 1.00 35.80 ? 703 HOH A O 1 HETATM 5750 H H1 . HOH AA 6 . ? 43.751 5.956 33.675 1.00 35.80 ? 703 HOH A H1 1 HETATM 5751 H H2 . HOH AA 6 . ? 42.648 4.910 33.629 1.00 35.80 ? 703 HOH A H2 1 HETATM 5752 O O . HOH AA 6 . ? 16.846 26.198 32.957 1.00 30.41 ? 704 HOH A O 1 HETATM 5753 H H1 . HOH AA 6 . ? 17.002 25.387 33.467 1.00 30.41 ? 704 HOH A H1 1 HETATM 5754 H H2 . HOH AA 6 . ? 16.114 26.605 33.451 1.00 30.41 ? 704 HOH A H2 1 HETATM 5755 O O . HOH AA 6 . ? 23.687 13.511 2.989 1.00 26.68 ? 705 HOH A O 1 HETATM 5756 H H1 . HOH AA 6 . ? 24.191 13.458 3.817 1.00 26.68 ? 705 HOH A H1 1 HETATM 5757 H H2 . HOH AA 6 . ? 24.087 12.704 2.625 1.00 26.68 ? 705 HOH A H2 1 HETATM 5758 O O . HOH AA 6 . ? 28.171 -0.078 21.434 1.00 34.75 ? 706 HOH A O 1 HETATM 5759 H H1 . HOH AA 6 . ? 27.481 -0.755 21.542 1.00 34.75 ? 706 HOH A H1 1 HETATM 5760 H H2 . HOH AA 6 . ? 28.633 -0.424 20.648 1.00 34.75 ? 706 HOH A H2 1 HETATM 5761 O O . HOH AA 6 . ? 25.172 21.828 2.430 1.00 32.27 ? 707 HOH A O 1 HETATM 5762 H H1 . HOH AA 6 . ? 25.934 21.313 2.757 1.00 32.27 ? 707 HOH A H1 1 HETATM 5763 H H2 . HOH AA 6 . ? 24.466 21.171 2.555 1.00 32.27 ? 707 HOH A H2 1 HETATM 5764 O O . HOH AA 6 . ? 45.781 2.949 32.829 1.00 30.19 ? 708 HOH A O 1 HETATM 5765 H H1 . HOH AA 6 . ? 44.909 3.361 32.869 1.00 30.19 ? 708 HOH A H1 1 HETATM 5766 H H2 . HOH AA 6 . ? 45.543 2.048 32.569 1.00 30.19 ? 708 HOH A H2 1 HETATM 5767 O O . HOH AA 6 . ? 62.543 17.104 12.385 1.00 34.31 ? 709 HOH A O 1 HETATM 5768 H H1 . HOH AA 6 . ? 62.476 17.769 13.081 1.00 34.31 ? 709 HOH A H1 1 HETATM 5769 H H2 . HOH AA 6 . ? 61.782 17.348 11.812 1.00 34.31 ? 709 HOH A H2 1 HETATM 5770 O O . HOH AA 6 . ? 14.546 12.023 11.597 1.00 32.22 ? 710 HOH A O 1 HETATM 5771 H H1 . HOH AA 6 . ? 14.124 12.565 10.917 1.00 32.22 ? 710 HOH A H1 1 HETATM 5772 H H2 . HOH AA 6 . ? 15.478 12.211 11.426 1.00 32.22 ? 710 HOH A H2 1 HETATM 5773 O O . HOH AA 6 . ? 37.092 42.853 13.151 1.00 28.02 ? 711 HOH A O 1 HETATM 5774 H H1 . HOH AA 6 . ? 36.301 42.479 12.756 1.00 28.02 ? 711 HOH A H1 1 HETATM 5775 H H2 . HOH AA 6 . ? 37.639 43.048 12.362 1.00 28.02 ? 711 HOH A H2 1 HETATM 5776 O O . HOH AA 6 . ? 23.754 36.122 23.194 1.00 30.02 ? 712 HOH A O 1 HETATM 5777 H H1 . HOH AA 6 . ? 23.585 36.199 22.241 1.00 30.02 ? 712 HOH A H1 1 HETATM 5778 H H2 . HOH AA 6 . ? 23.039 35.539 23.469 1.00 30.02 ? 712 HOH A H2 1 HETATM 5779 O O . HOH AA 6 . ? 42.136 39.802 26.085 1.00 38.73 ? 713 HOH A O 1 HETATM 5780 H H1 . HOH AA 6 . ? 42.726 40.464 25.667 1.00 38.73 ? 713 HOH A H1 1 HETATM 5781 H H2 . HOH AA 6 . ? 41.353 40.340 26.258 1.00 38.73 ? 713 HOH A H2 1 HETATM 5782 O O . HOH AA 6 . ? 43.340 8.474 35.405 1.00 26.38 ? 714 HOH A O 1 HETATM 5783 H H1 . HOH AA 6 . ? 42.933 8.912 34.649 1.00 26.38 ? 714 HOH A H1 1 HETATM 5784 H H2 . HOH AA 6 . ? 44.016 9.135 35.653 1.00 26.38 ? 714 HOH A H2 1 HETATM 5785 O O . HOH AA 6 . ? 27.691 4.262 39.525 1.00 32.79 ? 715 HOH A O 1 HETATM 5786 H H1 . HOH AA 6 . ? 27.271 5.135 39.571 1.00 32.79 ? 715 HOH A H1 1 HETATM 5787 H H2 . HOH AA 6 . ? 28.077 4.172 40.419 1.00 32.79 ? 715 HOH A H2 1 HETATM 5788 O O . HOH AA 6 . ? 64.292 37.009 18.575 1.00 36.19 ? 716 HOH A O 1 HETATM 5789 H H1 . HOH AA 6 . ? 63.727 37.771 18.734 1.00 36.19 ? 716 HOH A H1 1 HETATM 5790 H H2 . HOH AA 6 . ? 63.861 36.303 19.051 1.00 36.19 ? 716 HOH A H2 1 HETATM 5791 O O . HOH AA 6 . ? 60.686 30.968 34.090 1.00 35.62 ? 717 HOH A O 1 HETATM 5792 H H1 . HOH AA 6 . ? 59.979 30.302 34.048 1.00 35.62 ? 717 HOH A H1 1 HETATM 5793 H H2 . HOH AA 6 . ? 60.194 31.752 33.796 1.00 35.62 ? 717 HOH A H2 1 HETATM 5794 O O . HOH AA 6 . ? 14.429 12.663 19.114 1.00 29.30 ? 718 HOH A O 1 HETATM 5795 H H1 . HOH AA 6 . ? 15.384 12.816 19.173 1.00 29.30 ? 718 HOH A H1 1 HETATM 5796 H H2 . HOH AA 6 . ? 14.327 11.806 19.569 1.00 29.30 ? 718 HOH A H2 1 HETATM 5797 O O A HOH AA 6 . ? 40.461 28.319 28.281 0.50 7.93 ? 719 HOH A O 1 HETATM 5798 O O B HOH AA 6 . ? 39.028 28.708 27.450 0.50 18.01 ? 719 HOH A O 1 HETATM 5799 H H1 A HOH AA 6 . ? 40.271 28.183 29.228 0.50 7.93 ? 719 HOH A H1 1 HETATM 5800 H H1 B HOH AA 6 . ? 39.251 29.626 27.676 0.50 18.01 ? 719 HOH A H1 1 HETATM 5801 H H2 A HOH AA 6 . ? 40.097 29.221 28.168 0.50 7.93 ? 719 HOH A H2 1 HETATM 5802 H H2 B HOH AA 6 . ? 38.191 28.610 27.923 0.50 18.01 ? 719 HOH A H2 1 HETATM 5803 O O . HOH AA 6 . ? 52.365 31.907 -1.744 1.00 24.33 ? 720 HOH A O 1 HETATM 5804 H H1 . HOH AA 6 . ? 51.489 32.224 -1.981 1.00 24.33 ? 720 HOH A H1 1 HETATM 5805 H H2 . HOH AA 6 . ? 52.901 32.393 -2.379 1.00 24.33 ? 720 HOH A H2 1 HETATM 5806 O O . HOH AA 6 . ? 54.911 2.150 20.630 1.00 39.22 ? 721 HOH A O 1 HETATM 5807 H H1 . HOH AA 6 . ? 55.363 1.553 21.262 1.00 39.22 ? 721 HOH A H1 1 HETATM 5808 H H2 . HOH AA 6 . ? 53.991 2.002 20.868 1.00 39.22 ? 721 HOH A H2 1 HETATM 5809 O O . HOH AA 6 . ? 37.191 39.173 4.846 1.00 41.08 ? 722 HOH A O 1 HETATM 5810 H H1 . HOH AA 6 . ? 37.966 38.738 4.447 1.00 41.08 ? 722 HOH A H1 1 HETATM 5811 H H2 . HOH AA 6 . ? 37.233 38.831 5.755 1.00 41.08 ? 722 HOH A H2 1 HETATM 5812 O O . HOH AA 6 . ? 30.016 -1.454 35.253 1.00 26.74 ? 723 HOH A O 1 HETATM 5813 H H1 . HOH AA 6 . ? 30.592 -0.684 35.113 1.00 26.74 ? 723 HOH A H1 1 HETATM 5814 H H2 . HOH AA 6 . ? 30.149 -1.969 34.437 1.00 26.74 ? 723 HOH A H2 1 HETATM 5815 O O . HOH AA 6 . ? 47.960 -6.971 17.854 1.00 51.39 ? 724 HOH A O 1 HETATM 5816 H H1 . HOH AA 6 . ? 47.548 -7.569 17.207 1.00 51.39 ? 724 HOH A H1 1 HETATM 5817 H H2 . HOH AA 6 . ? 48.736 -7.491 18.098 1.00 51.39 ? 724 HOH A H2 1 HETATM 5818 O O . HOH AA 6 . ? 19.608 32.963 11.452 1.00 38.75 ? 725 HOH A O 1 HETATM 5819 H H1 . HOH AA 6 . ? 19.322 32.315 10.791 1.00 38.75 ? 725 HOH A H1 1 HETATM 5820 H H2 . HOH AA 6 . ? 19.581 32.416 12.248 1.00 38.75 ? 725 HOH A H2 1 HETATM 5821 O O . HOH AA 6 . ? 59.805 32.759 30.540 1.00 32.03 ? 726 HOH A O 1 HETATM 5822 H H1 . HOH AA 6 . ? 59.447 32.138 31.179 1.00 32.03 ? 726 HOH A H1 1 HETATM 5823 H H2 . HOH AA 6 . ? 59.870 32.210 29.755 1.00 32.03 ? 726 HOH A H2 1 HETATM 5824 O O . HOH AA 6 . ? 32.108 -7.470 23.973 1.00 29.89 ? 727 HOH A O 1 HETATM 5825 H H1 . HOH AA 6 . ? 31.820 -7.149 23.106 1.00 29.89 ? 727 HOH A H1 1 HETATM 5826 H H2 . HOH AA 6 . ? 31.230 -7.470 24.416 1.00 29.89 ? 727 HOH A H2 1 HETATM 5827 O O . HOH AA 6 . ? 70.876 35.957 21.414 1.00 46.19 ? 728 HOH A O 1 HETATM 5828 H H1 . HOH AA 6 . ? 71.220 35.479 22.185 1.00 46.19 ? 728 HOH A H1 1 HETATM 5829 H H2 . HOH AA 6 . ? 70.089 36.405 21.755 1.00 46.19 ? 728 HOH A H2 1 HETATM 5830 O O . HOH AA 6 . ? 17.293 29.902 30.829 1.00 40.11 ? 729 HOH A O 1 HETATM 5831 H H1 . HOH AA 6 . ? 17.225 29.701 29.862 1.00 40.11 ? 729 HOH A H1 1 HETATM 5832 H H2 . HOH AA 6 . ? 17.900 30.642 30.794 1.00 40.11 ? 729 HOH A H2 1 HETATM 5833 O O . HOH AA 6 . ? 17.072 29.307 27.950 1.00 29.60 ? 730 HOH A O 1 HETATM 5834 H H1 . HOH AA 6 . ? 16.974 30.107 27.406 1.00 29.60 ? 730 HOH A H1 1 HETATM 5835 H H2 . HOH AA 6 . ? 17.023 28.627 27.254 1.00 29.60 ? 730 HOH A H2 1 HETATM 5836 O O . HOH AA 6 . ? 54.718 32.269 1.358 1.00 30.82 ? 731 HOH A O 1 HETATM 5837 H H1 . HOH AA 6 . ? 54.140 32.998 1.582 1.00 30.82 ? 731 HOH A H1 1 HETATM 5838 H H2 . HOH AA 6 . ? 54.180 31.833 0.672 1.00 30.82 ? 731 HOH A H2 1 HETATM 5839 O O . HOH AA 6 . ? 57.236 5.594 27.923 1.00 34.82 ? 732 HOH A O 1 HETATM 5840 H H1 . HOH AA 6 . ? 57.662 6.412 28.214 1.00 34.82 ? 732 HOH A H1 1 HETATM 5841 H H2 . HOH AA 6 . ? 57.965 4.981 27.814 1.00 34.82 ? 732 HOH A H2 1 HETATM 5842 O O . HOH AA 6 . ? 16.083 22.471 28.983 1.00 33.05 ? 733 HOH A O 1 HETATM 5843 H H1 . HOH AA 6 . ? 15.251 22.130 28.593 1.00 33.05 ? 733 HOH A H1 1 HETATM 5844 H H2 . HOH AA 6 . ? 15.967 22.289 29.925 1.00 33.05 ? 733 HOH A H2 1 HETATM 5845 O O . HOH AA 6 . ? 27.396 25.719 47.083 1.00 43.77 ? 734 HOH A O 1 HETATM 5846 H H1 . HOH AA 6 . ? 28.072 25.285 47.627 1.00 43.77 ? 734 HOH A H1 1 HETATM 5847 H H2 . HOH AA 6 . ? 26.744 25.003 46.979 1.00 43.77 ? 734 HOH A H2 1 HETATM 5848 O O . HOH AA 6 . ? 18.019 21.378 31.540 1.00 43.11 ? 735 HOH A O 1 HETATM 5849 H H1 . HOH AA 6 . ? 17.505 20.564 31.729 1.00 43.11 ? 735 HOH A H1 1 HETATM 5850 H H2 . HOH AA 6 . ? 18.905 21.000 31.561 1.00 43.11 ? 735 HOH A H2 1 HETATM 5851 O O . HOH AA 6 . ? 30.830 33.367 5.170 1.00 42.71 ? 736 HOH A O 1 HETATM 5852 H H1 . HOH AA 6 . ? 30.652 32.434 4.969 1.00 42.71 ? 736 HOH A H1 1 HETATM 5853 H H2 . HOH AA 6 . ? 30.101 33.618 5.754 1.00 42.71 ? 736 HOH A H2 1 HETATM 5854 O O . HOH AA 6 . ? 62.666 27.093 6.705 1.00 32.13 ? 737 HOH A O 1 HETATM 5855 H H1 . HOH AA 6 . ? 63.360 27.692 7.051 1.00 32.13 ? 737 HOH A H1 1 HETATM 5856 H H2 . HOH AA 6 . ? 62.389 27.594 5.922 1.00 32.13 ? 737 HOH A H2 1 HETATM 5857 O O . HOH AA 6 . ? 39.730 20.244 38.071 1.00 41.27 ? 738 HOH A O 1 HETATM 5858 H H1 . HOH AA 6 . ? 39.918 19.536 37.444 1.00 41.27 ? 738 HOH A H1 1 HETATM 5859 H H2 . HOH AA 6 . ? 39.738 19.791 38.933 1.00 41.27 ? 738 HOH A H2 1 HETATM 5860 O O . HOH AA 6 . ? 41.173 -10.549 28.259 1.00 42.98 ? 739 HOH A O 1 HETATM 5861 H H1 . HOH AA 6 . ? 41.035 -11.379 27.790 1.00 42.98 ? 739 HOH A H1 1 HETATM 5862 H H2 . HOH AA 6 . ? 40.395 -10.019 28.010 1.00 42.98 ? 739 HOH A H2 1 HETATM 5863 O O . HOH AA 6 . ? 41.654 36.013 28.448 1.00 37.94 ? 740 HOH A O 1 HETATM 5864 H H1 . HOH AA 6 . ? 41.040 36.507 28.999 1.00 37.94 ? 740 HOH A H1 1 HETATM 5865 H H2 . HOH AA 6 . ? 41.335 36.233 27.557 1.00 37.94 ? 740 HOH A H2 1 HETATM 5866 O O . HOH AA 6 . ? 68.179 37.594 32.411 1.00 36.55 ? 741 HOH A O 1 HETATM 5867 H H1 . HOH AA 6 . ? 68.671 36.880 31.966 1.00 36.55 ? 741 HOH A H1 1 HETATM 5868 H H2 . HOH AA 6 . ? 67.268 37.297 32.283 1.00 36.55 ? 741 HOH A H2 1 HETATM 5869 O O . HOH AA 6 . ? 40.377 5.366 3.144 1.00 29.82 ? 742 HOH A O 1 HETATM 5870 H H1 . HOH AA 6 . ? 41.325 5.533 3.027 1.00 29.82 ? 742 HOH A H1 1 HETATM 5871 H H2 . HOH AA 6 . ? 40.378 5.092 4.071 1.00 29.82 ? 742 HOH A H2 1 HETATM 5872 O O . HOH AA 6 . ? 16.451 18.911 32.247 1.00 31.53 ? 743 HOH A O 1 HETATM 5873 H H1 . HOH AA 6 . ? 15.948 18.363 31.602 1.00 31.53 ? 743 HOH A H1 1 HETATM 5874 H H2 . HOH AA 6 . ? 16.136 18.586 33.100 1.00 31.53 ? 743 HOH A H2 1 HETATM 5875 O O . HOH AA 6 . ? 14.064 18.060 25.085 1.00 39.58 ? 744 HOH A O 1 HETATM 5876 H H1 . HOH AA 6 . ? 13.898 18.949 24.740 1.00 39.58 ? 744 HOH A H1 1 HETATM 5877 H H2 . HOH AA 6 . ? 15.012 18.163 25.276 1.00 39.58 ? 744 HOH A H2 1 HETATM 5878 O O . HOH AA 6 . ? 17.823 5.769 11.840 1.00 35.56 ? 745 HOH A O 1 HETATM 5879 H H1 . HOH AA 6 . ? 17.242 6.403 12.274 1.00 35.56 ? 745 HOH A H1 1 HETATM 5880 H H2 . HOH AA 6 . ? 17.657 4.968 12.366 1.00 35.56 ? 745 HOH A H2 1 HETATM 5881 O O . HOH AA 6 . ? 23.514 40.284 4.723 1.00 39.08 ? 746 HOH A O 1 HETATM 5882 H H1 . HOH AA 6 . ? 23.987 41.146 4.675 1.00 39.08 ? 746 HOH A H1 1 HETATM 5883 H H2 . HOH AA 6 . ? 23.549 40.006 3.796 1.00 39.08 ? 746 HOH A H2 1 HETATM 5884 O O . HOH AA 6 . ? 29.518 41.508 7.418 1.00 30.77 ? 747 HOH A O 1 HETATM 5885 H H1 . HOH AA 6 . ? 29.737 40.560 7.580 1.00 30.77 ? 747 HOH A H1 1 HETATM 5886 H H2 . HOH AA 6 . ? 29.301 41.785 8.319 1.00 30.77 ? 747 HOH A H2 1 HETATM 5887 O O . HOH AA 6 . ? 50.474 35.826 28.997 1.00 30.10 ? 748 HOH A O 1 HETATM 5888 H H1 . HOH AA 6 . ? 50.353 35.820 28.034 1.00 30.10 ? 748 HOH A H1 1 HETATM 5889 H H2 . HOH AA 6 . ? 50.709 36.739 29.167 1.00 30.10 ? 748 HOH A H2 1 HETATM 5890 O O . HOH AA 6 . ? 35.317 27.746 40.082 1.00 33.27 ? 749 HOH A O 1 HETATM 5891 H H1 . HOH AA 6 . ? 35.604 28.213 39.278 1.00 33.27 ? 749 HOH A H1 1 HETATM 5892 H H2 . HOH AA 6 . ? 34.559 28.289 40.349 1.00 33.27 ? 749 HOH A H2 1 HETATM 5893 O O . HOH AA 6 . ? 22.881 23.912 0.397 1.00 31.00 ? 750 HOH A O 1 HETATM 5894 H H1 . HOH AA 6 . ? 21.989 24.266 0.234 1.00 31.00 ? 750 HOH A H1 1 HETATM 5895 H H2 . HOH AA 6 . ? 23.302 24.159 -0.443 1.00 31.00 ? 750 HOH A H2 1 HETATM 5896 O O . HOH AA 6 . ? 23.738 -3.723 22.043 1.00 44.50 ? 751 HOH A O 1 HETATM 5897 H H1 . HOH AA 6 . ? 23.433 -2.903 22.460 1.00 44.50 ? 751 HOH A H1 1 HETATM 5898 H H2 . HOH AA 6 . ? 24.411 -4.007 22.662 1.00 44.50 ? 751 HOH A H2 1 HETATM 5899 O O . HOH AA 6 . ? 58.042 39.388 21.007 1.00 44.33 ? 752 HOH A O 1 HETATM 5900 H H1 . HOH AA 6 . ? 58.960 39.646 21.066 1.00 44.33 ? 752 HOH A H1 1 HETATM 5901 H H2 . HOH AA 6 . ? 58.059 38.683 20.334 1.00 44.33 ? 752 HOH A H2 1 HETATM 5902 O O . HOH AA 6 . ? 54.764 1.562 14.123 1.00 37.05 ? 753 HOH A O 1 HETATM 5903 H H1 . HOH AA 6 . ? 54.539 1.483 13.182 1.00 37.05 ? 753 HOH A H1 1 HETATM 5904 H H2 . HOH AA 6 . ? 53.936 1.874 14.509 1.00 37.05 ? 753 HOH A H2 1 HETATM 5905 O O . HOH AA 6 . ? 62.211 20.053 27.680 1.00 32.12 ? 754 HOH A O 1 HETATM 5906 H H1 . HOH AA 6 . ? 63.065 20.268 28.090 1.00 32.12 ? 754 HOH A H1 1 HETATM 5907 H H2 . HOH AA 6 . ? 62.106 20.834 27.089 1.00 32.12 ? 754 HOH A H2 1 HETATM 5908 O O . HOH AA 6 . ? 38.284 -6.944 26.653 1.00 41.40 ? 755 HOH A O 1 HETATM 5909 H H1 . HOH AA 6 . ? 38.939 -7.604 26.943 1.00 41.40 ? 755 HOH A H1 1 HETATM 5910 H H2 . HOH AA 6 . ? 38.881 -6.206 26.492 1.00 41.40 ? 755 HOH A H2 1 HETATM 5911 O O . HOH AA 6 . ? 65.168 36.094 15.974 1.00 34.14 ? 756 HOH A O 1 HETATM 5912 H H1 . HOH AA 6 . ? 64.941 36.450 16.856 1.00 34.14 ? 756 HOH A H1 1 HETATM 5913 H H2 . HOH AA 6 . ? 64.518 35.399 15.839 1.00 34.14 ? 756 HOH A H2 1 HETATM 5914 O O . HOH AA 6 . ? 29.992 43.234 16.987 1.00 34.75 ? 757 HOH A O 1 HETATM 5915 H H1 . HOH AA 6 . ? 30.812 43.745 17.066 1.00 34.75 ? 757 HOH A H1 1 HETATM 5916 H H2 . HOH AA 6 . ? 30.220 42.695 16.218 1.00 34.75 ? 757 HOH A H2 1 HETATM 5917 O O . HOH AA 6 . ? 44.534 21.937 36.942 1.00 50.88 ? 758 HOH A O 1 HETATM 5918 H H1 . HOH AA 6 . ? 44.842 22.756 36.494 1.00 50.88 ? 758 HOH A H1 1 HETATM 5919 H H2 . HOH AA 6 . ? 45.292 21.701 37.490 1.00 50.88 ? 758 HOH A H2 1 HETATM 5920 O O . HOH AA 6 . ? 22.098 7.004 5.555 1.00 47.50 ? 759 HOH A O 1 HETATM 5921 H H1 . HOH AA 6 . ? 21.185 7.288 5.750 1.00 47.50 ? 759 HOH A H1 1 HETATM 5922 H H2 . HOH AA 6 . ? 22.217 6.231 6.129 1.00 47.50 ? 759 HOH A H2 1 HETATM 5923 O O . HOH AA 6 . ? 24.970 16.785 46.806 1.00 38.86 ? 760 HOH A O 1 HETATM 5924 H H1 . HOH AA 6 . ? 24.201 16.343 47.197 1.00 38.86 ? 760 HOH A H1 1 HETATM 5925 H H2 . HOH AA 6 . ? 25.395 17.118 47.607 1.00 38.86 ? 760 HOH A H2 1 HETATM 5926 O O . HOH AA 6 . ? 19.425 11.680 36.544 1.00 41.24 ? 761 HOH A O 1 HETATM 5927 H H1 . HOH AA 6 . ? 18.994 11.263 35.781 1.00 41.24 ? 761 HOH A H1 1 HETATM 5928 H H2 . HOH AA 6 . ? 20.210 11.108 36.652 1.00 41.24 ? 761 HOH A H2 1 HETATM 5929 O O . HOH AA 6 . ? 34.850 -4.812 30.642 1.00 47.14 ? 762 HOH A O 1 HETATM 5930 H H1 . HOH AA 6 . ? 34.042 -5.342 30.470 1.00 47.14 ? 762 HOH A H1 1 HETATM 5931 H H2 . HOH AA 6 . ? 34.791 -4.278 29.835 1.00 47.14 ? 762 HOH A H2 1 HETATM 5932 O O . HOH AA 6 . ? 24.477 31.849 37.176 1.00 44.91 ? 763 HOH A O 1 HETATM 5933 H H1 . HOH AA 6 . ? 25.238 31.335 36.866 1.00 44.91 ? 763 HOH A H1 1 HETATM 5934 H H2 . HOH AA 6 . ? 24.748 32.745 36.947 1.00 44.91 ? 763 HOH A H2 1 HETATM 5935 O O . HOH AA 6 . ? 56.941 10.879 28.573 1.00 39.39 ? 764 HOH A O 1 HETATM 5936 H H1 . HOH AA 6 . ? 56.477 11.699 28.799 1.00 39.39 ? 764 HOH A H1 1 HETATM 5937 H H2 . HOH AA 6 . ? 56.249 10.385 28.106 1.00 39.39 ? 764 HOH A H2 1 HETATM 5938 O O . HOH AA 6 . ? 39.800 40.333 3.680 1.00 49.01 ? 765 HOH A O 1 HETATM 5939 H H1 . HOH AA 6 . ? 39.127 40.830 4.154 1.00 49.01 ? 765 HOH A H1 1 HETATM 5940 H H2 . HOH AA 6 . ? 40.107 40.968 3.028 1.00 49.01 ? 765 HOH A H2 1 HETATM 5941 O O . HOH AA 6 . ? 18.007 13.643 37.582 1.00 36.87 ? 766 HOH A O 1 HETATM 5942 H H1 . HOH AA 6 . ? 18.636 14.255 37.975 1.00 36.87 ? 766 HOH A H1 1 HETATM 5943 H H2 . HOH AA 6 . ? 18.606 12.951 37.212 1.00 36.87 ? 766 HOH A H2 1 HETATM 5944 O O . HOH AA 6 . ? 37.437 35.635 27.576 1.00 60.44 ? 767 HOH A O 1 HETATM 5945 H H1 . HOH AA 6 . ? 37.347 34.963 28.258 1.00 60.44 ? 767 HOH A H1 1 HETATM 5946 H H2 . HOH AA 6 . ? 38.076 35.220 26.964 1.00 60.44 ? 767 HOH A H2 1 HETATM 5947 O O . HOH AA 6 . ? 13.830 26.156 12.436 1.00 45.22 ? 768 HOH A O 1 HETATM 5948 H H1 . HOH AA 6 . ? 14.357 26.675 13.053 1.00 45.22 ? 768 HOH A H1 1 HETATM 5949 H H2 . HOH AA 6 . ? 13.419 26.863 11.918 1.00 45.22 ? 768 HOH A H2 1 HETATM 5950 O O . HOH AA 6 . ? 63.507 14.631 12.547 1.00 31.09 ? 769 HOH A O 1 HETATM 5951 H H1 . HOH AA 6 . ? 62.751 14.135 12.207 1.00 31.09 ? 769 HOH A H1 1 HETATM 5952 H H2 . HOH AA 6 . ? 63.147 15.549 12.531 1.00 31.09 ? 769 HOH A H2 1 HETATM 5953 O O . HOH AA 6 . ? 36.936 25.066 39.113 1.00 50.68 ? 770 HOH A O 1 HETATM 5954 H H1 . HOH AA 6 . ? 37.334 24.772 39.952 1.00 50.68 ? 770 HOH A H1 1 HETATM 5955 H H2 . HOH AA 6 . ? 36.515 25.887 39.412 1.00 50.68 ? 770 HOH A H2 1 HETATM 5956 O O . HOH AA 6 . ? 60.722 38.358 15.812 1.00 53.62 ? 771 HOH A O 1 HETATM 5957 H H1 . HOH AA 6 . ? 60.112 37.620 15.611 1.00 53.62 ? 771 HOH A H1 1 HETATM 5958 H H2 . HOH AA 6 . ? 61.117 38.495 14.944 1.00 53.62 ? 771 HOH A H2 1 HETATM 5959 O O . HOH AA 6 . ? 51.863 34.746 25.800 1.00 44.57 ? 772 HOH A O 1 HETATM 5960 H H1 . HOH AA 6 . ? 51.909 33.793 25.985 1.00 44.57 ? 772 HOH A H1 1 HETATM 5961 H H2 . HOH AA 6 . ? 50.942 34.934 26.004 1.00 44.57 ? 772 HOH A H2 1 HETATM 5962 O O . HOH AA 6 . ? 40.963 16.534 -1.846 1.00 36.76 ? 773 HOH A O 1 HETATM 5963 H H1 . HOH AA 6 . ? 40.474 17.044 -2.516 1.00 36.76 ? 773 HOH A H1 1 HETATM 5964 H H2 . HOH AA 6 . ? 41.843 16.951 -1.913 1.00 36.76 ? 773 HOH A H2 1 HETATM 5965 O O . HOH AA 6 . ? 29.702 -4.251 18.122 1.00 50.58 ? 774 HOH A O 1 HETATM 5966 H H1 . HOH AA 6 . ? 30.466 -4.276 18.728 1.00 50.58 ? 774 HOH A H1 1 HETATM 5967 H H2 . HOH AA 6 . ? 28.988 -4.495 18.724 1.00 50.58 ? 774 HOH A H2 1 HETATM 5968 O O . HOH AA 6 . ? 37.804 3.601 41.160 1.00 42.86 ? 775 HOH A O 1 HETATM 5969 H H1 . HOH AA 6 . ? 36.927 3.706 40.769 1.00 42.86 ? 775 HOH A H1 1 HETATM 5970 H H2 . HOH AA 6 . ? 37.563 3.741 42.090 1.00 42.86 ? 775 HOH A H2 1 HETATM 5971 O O . HOH AA 6 . ? 33.872 17.863 -0.045 1.00 43.83 ? 776 HOH A O 1 HETATM 5972 H H1 . HOH AA 6 . ? 33.786 17.879 0.919 1.00 43.83 ? 776 HOH A H1 1 HETATM 5973 H H2 . HOH AA 6 . ? 34.839 17.856 -0.149 1.00 43.83 ? 776 HOH A H2 1 HETATM 5974 O O . HOH AA 6 . ? 43.190 9.779 1.209 1.00 51.61 ? 777 HOH A O 1 HETATM 5975 H H1 . HOH AA 6 . ? 42.229 9.693 1.226 1.00 51.61 ? 777 HOH A H1 1 HETATM 5976 H H2 . HOH AA 6 . ? 43.400 10.184 2.057 1.00 51.61 ? 777 HOH A H2 1 HETATM 5977 O O . HOH AA 6 . ? 62.131 38.061 25.767 1.00 42.02 ? 778 HOH A O 1 HETATM 5978 H H1 . HOH AA 6 . ? 62.363 37.555 24.969 1.00 42.02 ? 778 HOH A H1 1 HETATM 5979 H H2 . HOH AA 6 . ? 63.011 38.188 26.129 1.00 42.02 ? 778 HOH A H2 1 HETATM 5980 O O . HOH AA 6 . ? 60.371 8.721 18.100 1.00 52.54 ? 779 HOH A O 1 HETATM 5981 H H1 . HOH AA 6 . ? 60.391 8.363 17.205 1.00 52.54 ? 779 HOH A H1 1 HETATM 5982 H H2 . HOH AA 6 . ? 60.875 8.074 18.613 1.00 52.54 ? 779 HOH A H2 1 HETATM 5983 O O . HOH AA 6 . ? 51.655 5.024 33.932 1.00 50.82 ? 780 HOH A O 1 HETATM 5984 H H1 . HOH AA 6 . ? 50.878 4.793 33.400 1.00 50.82 ? 780 HOH A H1 1 HETATM 5985 H H2 . HOH AA 6 . ? 52.242 4.307 33.652 1.00 50.82 ? 780 HOH A H2 1 HETATM 5986 O O . HOH AA 6 . ? 69.831 18.980 23.224 1.00 44.89 ? 781 HOH A O 1 HETATM 5987 H H1 . HOH AA 6 . ? 70.701 19.049 23.634 1.00 44.89 ? 781 HOH A H1 1 HETATM 5988 H H2 . HOH AA 6 . ? 69.254 18.706 23.953 1.00 44.89 ? 781 HOH A H2 1 HETATM 5989 O O . HOH AA 6 . ? 53.870 29.356 32.935 1.00 43.47 ? 782 HOH A O 1 HETATM 5990 H H1 . HOH AA 6 . ? 54.304 28.944 32.186 1.00 43.47 ? 782 HOH A H1 1 HETATM 5991 H H2 . HOH AA 6 . ? 54.149 30.280 32.870 1.00 43.47 ? 782 HOH A H2 1 HETATM 5992 O O . HOH AA 6 . ? 61.077 10.775 21.553 1.00 40.15 ? 783 HOH A O 1 HETATM 5993 H H1 . HOH AA 6 . ? 61.034 11.146 20.664 1.00 40.15 ? 783 HOH A H1 1 HETATM 5994 H H2 . HOH AA 6 . ? 60.673 11.480 22.070 1.00 40.15 ? 783 HOH A H2 1 HETATM 5995 O O . HOH AA 6 . ? 27.916 3.489 8.795 1.00 38.91 ? 784 HOH A O 1 HETATM 5996 H H1 . HOH AA 6 . ? 26.944 3.458 8.605 1.00 38.91 ? 784 HOH A H1 1 HETATM 5997 H H2 . HOH AA 6 . ? 27.901 3.931 9.671 1.00 38.91 ? 784 HOH A H2 1 HETATM 5998 O O . HOH AA 6 . ? 38.254 14.460 38.533 1.00 39.88 ? 785 HOH A O 1 HETATM 5999 H H1 . HOH AA 6 . ? 38.370 14.183 37.596 1.00 39.88 ? 785 HOH A H1 1 HETATM 6000 H H2 . HOH AA 6 . ? 38.872 13.907 39.004 1.00 39.88 ? 785 HOH A H2 1 HETATM 6001 O O . HOH AA 6 . ? 69.183 16.016 19.950 1.00 36.18 ? 786 HOH A O 1 HETATM 6002 H H1 . HOH AA 6 . ? 69.705 16.513 20.593 1.00 36.18 ? 786 HOH A H1 1 HETATM 6003 H H2 . HOH AA 6 . ? 69.854 15.616 19.385 1.00 36.18 ? 786 HOH A H2 1 HETATM 6004 O O . HOH AA 6 . ? 38.546 43.088 10.742 1.00 43.44 ? 787 HOH A O 1 HETATM 6005 H H1 . HOH AA 6 . ? 39.435 42.775 10.964 1.00 43.44 ? 787 HOH A H1 1 HETATM 6006 H H2 . HOH AA 6 . ? 38.344 42.553 9.962 1.00 43.44 ? 787 HOH A H2 1 HETATM 6007 O O . HOH AA 6 . ? 27.126 38.223 1.483 1.00 45.38 ? 788 HOH A O 1 HETATM 6008 H H1 . HOH AA 6 . ? 27.930 37.869 1.084 1.00 45.38 ? 788 HOH A H1 1 HETATM 6009 H H2 . HOH AA 6 . ? 26.880 38.920 0.861 1.00 45.38 ? 788 HOH A H2 1 HETATM 6010 O O . HOH AA 6 . ? 32.354 29.532 38.786 1.00 42.35 ? 789 HOH A O 1 HETATM 6011 H H1 . HOH AA 6 . ? 32.255 30.485 38.765 1.00 42.35 ? 789 HOH A H1 1 HETATM 6012 H H2 . HOH AA 6 . ? 32.308 29.351 39.744 1.00 42.35 ? 789 HOH A H2 1 HETATM 6013 O O . HOH AA 6 . ? 21.516 11.928 1.581 1.00 46.93 ? 790 HOH A O 1 HETATM 6014 H H1 . HOH AA 6 . ? 22.156 11.763 0.878 1.00 46.93 ? 790 HOH A H1 1 HETATM 6015 H H2 . HOH AA 6 . ? 21.912 12.720 1.989 1.00 46.93 ? 790 HOH A H2 1 HETATM 6016 O O . HOH AA 6 . ? 37.639 24.202 22.121 1.00 44.20 ? 791 HOH A O 1 HETATM 6017 H H1 . HOH AA 6 . ? 37.965 24.032 23.025 1.00 44.20 ? 791 HOH A H1 1 HETATM 6018 H H2 . HOH AA 6 . ? 36.973 24.876 22.300 1.00 44.20 ? 791 HOH A H2 1 HETATM 6019 O O . HOH AA 6 . ? 48.143 -4.183 12.373 1.00 55.23 ? 792 HOH A O 1 HETATM 6020 H H1 . HOH AA 6 . ? 48.434 -4.205 13.300 1.00 55.23 ? 792 HOH A H1 1 HETATM 6021 H H2 . HOH AA 6 . ? 48.968 -4.369 11.916 1.00 55.23 ? 792 HOH A H2 1 HETATM 6022 O O . HOH AA 6 . ? 34.484 39.624 4.008 1.00 56.65 ? 793 HOH A O 1 HETATM 6023 H H1 . HOH AA 6 . ? 34.691 39.689 3.072 1.00 56.65 ? 793 HOH A H1 1 HETATM 6024 H H2 . HOH AA 6 . ? 35.372 39.514 4.406 1.00 56.65 ? 793 HOH A H2 1 HETATM 6025 O O . HOH AA 6 . ? 60.723 11.389 18.478 1.00 39.37 ? 794 HOH A O 1 HETATM 6026 H H1 . HOH AA 6 . ? 61.304 11.564 17.719 1.00 39.37 ? 794 HOH A H1 1 HETATM 6027 H H2 . HOH AA 6 . ? 60.634 10.414 18.399 1.00 39.37 ? 794 HOH A H2 1 HETATM 6028 O O . HOH AA 6 . ? 35.299 29.492 -3.441 1.00 45.58 ? 795 HOH A O 1 HETATM 6029 H H1 . HOH AA 6 . ? 35.609 28.829 -2.811 1.00 45.58 ? 795 HOH A H1 1 HETATM 6030 H H2 . HOH AA 6 . ? 36.104 29.977 -3.642 1.00 45.58 ? 795 HOH A H2 1 HETATM 6031 O O . HOH AA 6 . ? 54.810 25.117 0.609 1.00 52.21 ? 796 HOH A O 1 HETATM 6032 H H1 . HOH AA 6 . ? 55.028 25.357 1.522 1.00 52.21 ? 796 HOH A H1 1 HETATM 6033 H H2 . HOH AA 6 . ? 55.259 24.260 0.571 1.00 52.21 ? 796 HOH A H2 1 HETATM 6034 O O . HOH AA 6 . ? 68.721 18.183 12.739 1.00 57.65 ? 797 HOH A O 1 HETATM 6035 H H1 . HOH AA 6 . ? 69.375 18.014 13.425 1.00 57.65 ? 797 HOH A H1 1 HETATM 6036 H H2 . HOH AA 6 . ? 67.938 18.411 13.252 1.00 57.65 ? 797 HOH A H2 1 HETATM 6037 O O . HOH AA 6 . ? 26.810 44.274 12.903 1.00 55.35 ? 798 HOH A O 1 HETATM 6038 H H1 . HOH AA 6 . ? 25.966 44.593 13.220 1.00 55.35 ? 798 HOH A H1 1 HETATM 6039 H H2 . HOH AA 6 . ? 26.898 44.683 12.024 1.00 55.35 ? 798 HOH A H2 1 HETATM 6040 O O . HOH AA 6 . ? 62.359 10.655 15.717 1.00 50.06 ? 799 HOH A O 1 HETATM 6041 H H1 . HOH AA 6 . ? 62.493 9.745 15.472 1.00 50.06 ? 799 HOH A H1 1 HETATM 6042 H H2 . HOH AA 6 . ? 63.012 11.084 15.103 1.00 50.06 ? 799 HOH A H2 1 HETATM 6043 O O . HOH AA 6 . ? 49.613 9.219 4.159 1.00 42.89 ? 800 HOH A O 1 HETATM 6044 H H1 . HOH AA 6 . ? 49.690 8.345 3.726 1.00 42.89 ? 800 HOH A H1 1 HETATM 6045 H H2 . HOH AA 6 . ? 49.533 9.787 3.372 1.00 42.89 ? 800 HOH A H2 1 HETATM 6046 O O . HOH AA 6 . ? 47.354 39.909 6.774 1.00 41.01 ? 801 HOH A O 1 HETATM 6047 H H1 . HOH AA 6 . ? 48.162 39.982 7.302 1.00 41.01 ? 801 HOH A H1 1 HETATM 6048 H H2 . HOH AA 6 . ? 46.790 40.552 7.223 1.00 41.01 ? 801 HOH A H2 1 HETATM 6049 O O . HOH AA 6 . ? 31.906 30.181 -2.452 1.00 37.73 ? 802 HOH A O 1 HETATM 6050 H H1 . HOH AA 6 . ? 32.828 30.057 -2.726 1.00 37.73 ? 802 HOH A H1 1 HETATM 6051 H H2 . HOH AA 6 . ? 31.568 30.698 -3.203 1.00 37.73 ? 802 HOH A H2 1 HETATM 6052 O O . HOH AA 6 . ? 15.571 21.456 36.329 1.00 42.84 ? 803 HOH A O 1 HETATM 6053 H H1 . HOH AA 6 . ? 16.054 22.201 35.943 1.00 42.84 ? 803 HOH A H1 1 HETATM 6054 H H2 . HOH AA 6 . ? 14.808 21.381 35.738 1.00 42.84 ? 803 HOH A H2 1 HETATM 6055 O O . HOH AA 6 . ? 53.816 32.727 28.844 1.00 70.94 ? 804 HOH A O 1 HETATM 6056 H H1 . HOH AA 6 . ? 53.300 32.154 29.423 1.00 70.94 ? 804 HOH A H1 1 HETATM 6057 H H2 . HOH AA 6 . ? 53.186 32.895 28.126 1.00 70.94 ? 804 HOH A H2 1 HETATM 6058 O O . HOH AA 6 . ? 50.177 37.977 5.869 1.00 45.54 ? 805 HOH A O 1 HETATM 6059 H H1 . HOH AA 6 . ? 50.695 37.698 6.641 1.00 45.54 ? 805 HOH A H1 1 HETATM 6060 H H2 . HOH AA 6 . ? 49.726 37.157 5.603 1.00 45.54 ? 805 HOH A H2 1 HETATM 6061 O O . HOH AA 6 . ? 38.910 9.923 1.111 1.00 37.12 ? 806 HOH A O 1 HETATM 6062 H H1 . HOH AA 6 . ? 38.122 10.369 1.456 1.00 37.12 ? 806 HOH A H1 1 HETATM 6063 H H2 . HOH AA 6 . ? 38.781 9.048 1.508 1.00 37.12 ? 806 HOH A H2 1 HETATM 6064 O O . HOH AA 6 . ? 43.878 41.283 24.552 1.00 43.01 ? 807 HOH A O 1 HETATM 6065 H H1 . HOH AA 6 . ? 44.323 42.065 24.212 1.00 43.01 ? 807 HOH A H1 1 HETATM 6066 H H2 . HOH AA 6 . ? 44.445 40.551 24.272 1.00 43.01 ? 807 HOH A H2 1 HETATM 6067 O O . HOH AA 6 . ? 40.997 -1.121 36.609 1.00 49.81 ? 808 HOH A O 1 HETATM 6068 H H1 . HOH AA 6 . ? 40.723 -0.198 36.733 1.00 49.81 ? 808 HOH A H1 1 HETATM 6069 H H2 . HOH AA 6 . ? 40.415 -1.587 37.235 1.00 49.81 ? 808 HOH A H2 1 HETATM 6070 O O . HOH AA 6 . ? 28.867 9.996 45.359 1.00 49.72 ? 809 HOH A O 1 HETATM 6071 H H1 . HOH AA 6 . ? 29.784 10.103 45.575 1.00 49.72 ? 809 HOH A H1 1 HETATM 6072 H H2 . HOH AA 6 . ? 28.815 10.313 44.440 1.00 49.72 ? 809 HOH A H2 1 HETATM 6073 O O . HOH AA 6 . ? 29.186 38.438 25.855 1.00 47.38 ? 810 HOH A O 1 HETATM 6074 H H1 . HOH AA 6 . ? 29.981 38.977 25.802 1.00 47.38 ? 810 HOH A H1 1 HETATM 6075 H H2 . HOH AA 6 . ? 28.824 38.540 24.960 1.00 47.38 ? 810 HOH A H2 1 HETATM 6076 O O . HOH AA 6 . ? 58.155 16.439 3.967 1.00 38.76 ? 811 HOH A O 1 HETATM 6077 H H1 . HOH AA 6 . ? 58.941 15.991 3.642 1.00 38.76 ? 811 HOH A H1 1 HETATM 6078 H H2 . HOH AA 6 . ? 58.472 17.012 4.676 1.00 38.76 ? 811 HOH A H2 1 HETATM 6079 O O . HOH AA 6 . ? 71.710 19.502 26.618 1.00 50.34 ? 812 HOH A O 1 HETATM 6080 H H1 . HOH AA 6 . ? 72.060 19.817 25.769 1.00 50.34 ? 812 HOH A H1 1 HETATM 6081 H H2 . HOH AA 6 . ? 71.070 20.172 26.886 1.00 50.34 ? 812 HOH A H2 1 HETATM 6082 O O . HOH AA 6 . ? 19.492 30.463 2.987 1.00 43.59 ? 813 HOH A O 1 HETATM 6083 H H1 . HOH AA 6 . ? 19.289 29.844 2.270 1.00 43.59 ? 813 HOH A H1 1 HETATM 6084 H H2 . HOH AA 6 . ? 18.676 30.959 3.092 1.00 43.59 ? 813 HOH A H2 1 HETATM 6085 O O . HOH AA 6 . ? 18.404 24.092 34.431 1.00 46.84 ? 814 HOH A O 1 HETATM 6086 H H1 . HOH AA 6 . ? 18.678 24.972 34.772 1.00 46.84 ? 814 HOH A H1 1 HETATM 6087 H H2 . HOH AA 6 . ? 19.207 23.609 34.682 1.00 46.84 ? 814 HOH A H2 1 HETATM 6088 O O . HOH AA 6 . ? 17.328 19.786 9.155 1.00 35.19 ? 815 HOH A O 1 HETATM 6089 H H1 . HOH AA 6 . ? 17.825 20.462 8.648 1.00 35.19 ? 815 HOH A H1 1 HETATM 6090 H H2 . HOH AA 6 . ? 17.721 18.960 8.844 1.00 35.19 ? 815 HOH A H2 1 HETATM 6091 O O . HOH AA 6 . ? 28.536 27.241 44.941 1.00 42.44 ? 816 HOH A O 1 HETATM 6092 H H1 . HOH AA 6 . ? 29.462 27.028 45.042 1.00 42.44 ? 816 HOH A H1 1 HETATM 6093 H H2 . HOH AA 6 . ? 28.110 26.624 45.580 1.00 42.44 ? 816 HOH A H2 1 HETATM 6094 O O . HOH AA 6 . ? 49.468 18.175 23.812 1.00 55.69 ? 817 HOH A O 1 HETATM 6095 H H1 . HOH AA 6 . ? 49.514 17.433 23.203 1.00 55.69 ? 817 HOH A H1 1 HETATM 6096 H H2 . HOH AA 6 . ? 48.714 18.677 23.498 1.00 55.69 ? 817 HOH A H2 1 HETATM 6097 O O . HOH AA 6 . ? 57.969 11.545 6.845 1.00 41.61 ? 818 HOH A O 1 HETATM 6098 H H1 . HOH AA 6 . ? 58.704 11.737 6.246 1.00 41.61 ? 818 HOH A H1 1 HETATM 6099 H H2 . HOH AA 6 . ? 57.453 10.883 6.355 1.00 41.61 ? 818 HOH A H2 1 HETATM 6100 O O . HOH AA 6 . ? 50.080 39.351 25.101 1.00 43.32 ? 819 HOH A O 1 HETATM 6101 H H1 . HOH AA 6 . ? 49.899 38.912 25.940 1.00 43.32 ? 819 HOH A H1 1 HETATM 6102 H H2 . HOH AA 6 . ? 49.675 40.220 25.233 1.00 43.32 ? 819 HOH A H2 1 HETATM 6103 O O . HOH AA 6 . ? 45.524 24.109 35.438 1.00 36.96 ? 820 HOH A O 1 HETATM 6104 H H1 . HOH AA 6 . ? 45.812 25.002 35.685 1.00 36.96 ? 820 HOH A H1 1 HETATM 6105 H H2 . HOH AA 6 . ? 45.211 24.243 34.534 1.00 36.96 ? 820 HOH A H2 1 HETATM 6106 O O . HOH AA 6 . ? 43.004 26.072 35.302 1.00 48.70 ? 821 HOH A O 1 HETATM 6107 H H1 . HOH AA 6 . ? 43.779 26.485 35.716 1.00 48.70 ? 821 HOH A H1 1 HETATM 6108 H H2 . HOH AA 6 . ? 43.016 26.494 34.431 1.00 48.70 ? 821 HOH A H2 1 HETATM 6109 O O . HOH AA 6 . ? 34.771 37.117 26.761 1.00 45.79 ? 822 HOH A O 1 HETATM 6110 H H1 . HOH AA 6 . ? 34.614 36.836 25.857 1.00 45.79 ? 822 HOH A H1 1 HETATM 6111 H H2 . HOH AA 6 . ? 35.658 36.768 26.954 1.00 45.79 ? 822 HOH A H2 1 HETATM 6112 O O . HOH AA 6 . ? 51.199 41.007 14.917 1.00 44.13 ? 823 HOH A O 1 HETATM 6113 H H1 . HOH AA 6 . ? 51.344 41.055 13.960 1.00 44.13 ? 823 HOH A H1 1 HETATM 6114 H H2 . HOH AA 6 . ? 50.305 41.372 14.974 1.00 44.13 ? 823 HOH A H2 1 HETATM 6115 O O . HOH AA 6 . ? 30.241 43.878 9.225 1.00 40.09 ? 824 HOH A O 1 HETATM 6116 H H1 . HOH AA 6 . ? 30.913 44.566 9.294 1.00 40.09 ? 824 HOH A H1 1 HETATM 6117 H H2 . HOH AA 6 . ? 30.390 43.561 8.323 1.00 40.09 ? 824 HOH A H2 1 HETATM 6118 O O A HOH AA 6 . ? 15.735 20.615 12.565 0.50 15.84 ? 825 HOH A O 1 HETATM 6119 O O B HOH AA 6 . ? 15.772 21.983 10.898 0.50 19.26 ? 825 HOH A O 1 HETATM 6120 H H1 A HOH AA 6 . ? 16.614 20.645 12.145 0.50 15.84 ? 825 HOH A H1 1 HETATM 6121 H H1 B HOH AA 6 . ? 15.295 21.150 10.767 0.50 19.26 ? 825 HOH A H1 1 HETATM 6122 H H2 A HOH AA 6 . ? 15.241 20.036 11.944 0.50 15.84 ? 825 HOH A H2 1 HETATM 6123 H H2 B HOH AA 6 . ? 16.663 21.631 11.031 0.50 19.26 ? 825 HOH A H2 1 HETATM 6124 O O . HOH AA 6 . ? 41.262 24.116 37.860 1.00 44.41 ? 826 HOH A O 1 HETATM 6125 H H1 . HOH AA 6 . ? 41.916 24.507 37.270 1.00 44.41 ? 826 HOH A H1 1 HETATM 6126 H H2 . HOH AA 6 . ? 41.779 23.511 38.400 1.00 44.41 ? 826 HOH A H2 1 HETATM 6127 O O . HOH AA 6 . ? 14.655 8.028 22.105 1.00 48.09 ? 827 HOH A O 1 HETATM 6128 H H1 . HOH AA 6 . ? 15.189 8.604 22.694 1.00 48.09 ? 827 HOH A H1 1 HETATM 6129 H H2 . HOH AA 6 . ? 15.200 7.231 22.094 1.00 48.09 ? 827 HOH A H2 1 HETATM 6130 O O . HOH AA 6 . ? 36.556 17.508 0.094 1.00 40.59 ? 828 HOH A O 1 HETATM 6131 H H1 . HOH AA 6 . ? 36.607 17.636 1.054 1.00 40.59 ? 828 HOH A H1 1 HETATM 6132 H H2 . HOH AA 6 . ? 37.472 17.725 -0.183 1.00 40.59 ? 828 HOH A H2 1 HETATM 6133 O O . HOH AA 6 . ? 71.118 39.288 25.925 1.00 40.04 ? 829 HOH A O 1 HETATM 6134 H H1 . HOH AA 6 . ? 71.448 38.450 25.559 1.00 40.04 ? 829 HOH A H1 1 HETATM 6135 H H2 . HOH AA 6 . ? 71.512 39.205 26.812 1.00 40.04 ? 829 HOH A H2 1 HETATM 6136 O O . HOH AA 6 . ? 48.916 40.368 9.455 1.00 53.04 ? 830 HOH A O 1 HETATM 6137 H H1 . HOH AA 6 . ? 49.400 41.153 9.740 1.00 53.04 ? 830 HOH A H1 1 HETATM 6138 H H2 . HOH AA 6 . ? 49.572 39.669 9.637 1.00 53.04 ? 830 HOH A H2 1 HETATM 6139 O O . HOH AA 6 . ? 47.466 43.274 14.175 1.00 43.12 ? 831 HOH A O 1 HETATM 6140 H H1 . HOH AA 6 . ? 47.609 42.325 14.089 1.00 43.12 ? 831 HOH A H1 1 HETATM 6141 H H2 . HOH AA 6 . ? 46.505 43.319 14.317 1.00 43.12 ? 831 HOH A H2 1 HETATM 6142 O O . HOH AA 6 . ? 64.036 29.465 7.073 1.00 40.87 ? 832 HOH A O 1 HETATM 6143 H H1 . HOH AA 6 . ? 64.125 30.284 7.603 1.00 40.87 ? 832 HOH A H1 1 HETATM 6144 H H2 . HOH AA 6 . ? 63.536 29.799 6.322 1.00 40.87 ? 832 HOH A H2 1 HETATM 6145 O O . HOH AA 6 . ? 53.588 40.852 18.550 1.00 53.37 ? 833 HOH A O 1 HETATM 6146 H H1 . HOH AA 6 . ? 53.498 40.775 17.596 1.00 53.37 ? 833 HOH A H1 1 HETATM 6147 H H2 . HOH AA 6 . ? 52.905 40.261 18.877 1.00 53.37 ? 833 HOH A H2 1 HETATM 6148 O O . HOH AA 6 . ? 47.617 22.302 -3.497 1.00 51.49 ? 834 HOH A O 1 HETATM 6149 H H1 . HOH AA 6 . ? 48.389 21.835 -3.835 1.00 51.49 ? 834 HOH A H1 1 HETATM 6150 H H2 . HOH AA 6 . ? 47.361 21.759 -2.737 1.00 51.49 ? 834 HOH A H2 1 HETATM 6151 O O . HOH AA 6 . ? 57.335 35.768 24.719 1.00 42.09 ? 835 HOH A O 1 HETATM 6152 H H1 . HOH AA 6 . ? 57.827 35.257 24.074 1.00 42.09 ? 835 HOH A H1 1 HETATM 6153 H H2 . HOH AA 6 . ? 57.125 35.136 25.415 1.00 42.09 ? 835 HOH A H2 1 HETATM 6154 O O . HOH AA 6 . ? 18.156 29.627 33.716 1.00 55.02 ? 836 HOH A O 1 HETATM 6155 H H1 . HOH AA 6 . ? 18.539 30.420 33.346 1.00 55.02 ? 836 HOH A H1 1 HETATM 6156 H H2 . HOH AA 6 . ? 17.549 29.343 33.016 1.00 55.02 ? 836 HOH A H2 1 HETATM 6157 O O . HOH AA 6 . ? 15.499 2.317 29.062 1.00 58.82 ? 837 HOH A O 1 HETATM 6158 H H1 . HOH AA 6 . ? 15.527 3.218 29.354 1.00 58.82 ? 837 HOH A H1 1 HETATM 6159 H H2 . HOH AA 6 . ? 15.056 2.387 28.216 1.00 58.82 ? 837 HOH A H2 1 HETATM 6160 O O . HOH AA 6 . ? 32.472 29.084 41.610 1.00 59.32 ? 838 HOH A O 1 HETATM 6161 H H1 . HOH AA 6 . ? 32.051 28.578 42.319 1.00 59.32 ? 838 HOH A H1 1 HETATM 6162 H H2 . HOH AA 6 . ? 32.361 29.993 41.956 1.00 59.32 ? 838 HOH A H2 1 HETATM 6163 O O . HOH AA 6 . ? 51.129 -7.369 19.461 1.00 32.58 ? 839 HOH A O 1 HETATM 6164 H H1 . HOH AA 6 . ? 50.940 -6.437 19.626 1.00 32.58 ? 839 HOH A H1 1 HETATM 6165 H H2 . HOH AA 6 . ? 51.810 -7.563 20.107 1.00 32.58 ? 839 HOH A H2 1 HETATM 6166 O O . HOH AA 6 . ? 21.263 33.755 24.219 1.00 45.87 ? 840 HOH A O 1 HETATM 6167 H H1 . HOH AA 6 . ? 20.418 33.953 24.618 1.00 45.87 ? 840 HOH A H1 1 HETATM 6168 H H2 . HOH AA 6 . ? 21.334 32.806 24.435 1.00 45.87 ? 840 HOH A H2 1 HETATM 6169 O O . HOH AA 6 . ? 22.214 30.849 -0.001 1.00 42.42 ? 841 HOH A O 1 HETATM 6170 H H1 . HOH AA 6 . ? 23.151 30.768 0.265 1.00 42.42 ? 841 HOH A H1 1 HETATM 6171 H H2 . HOH AA 6 . ? 21.819 29.997 0.228 1.00 42.42 ? 841 HOH A H2 1 HETATM 6172 O O . HOH AA 6 . ? 63.867 31.852 8.292 1.00 48.00 ? 842 HOH A O 1 HETATM 6173 H H1 . HOH AA 6 . ? 63.414 31.599 9.108 1.00 48.00 ? 842 HOH A H1 1 HETATM 6174 H H2 . HOH AA 6 . ? 64.434 32.563 8.619 1.00 48.00 ? 842 HOH A H2 1 HETATM 6175 O O . HOH AA 6 . ? 69.320 40.018 31.546 1.00 42.17 ? 843 HOH A O 1 HETATM 6176 H H1 . HOH AA 6 . ? 69.746 40.240 32.376 1.00 42.17 ? 843 HOH A H1 1 HETATM 6177 H H2 . HOH AA 6 . ? 68.855 39.193 31.773 1.00 42.17 ? 843 HOH A H2 1 HETATM 6178 O O . HOH AA 6 . ? 57.835 14.770 31.787 1.00 47.01 ? 844 HOH A O 1 HETATM 6179 H H1 . HOH AA 6 . ? 57.033 15.246 32.049 1.00 47.01 ? 844 HOH A H1 1 HETATM 6180 H H2 . HOH AA 6 . ? 57.571 14.458 30.918 1.00 47.01 ? 844 HOH A H2 1 HETATM 6181 O O . HOH AA 6 . ? 15.840 19.117 27.706 1.00 50.84 ? 845 HOH A O 1 HETATM 6182 H H1 . HOH AA 6 . ? 16.297 19.229 26.846 1.00 50.84 ? 845 HOH A H1 1 HETATM 6183 H H2 . HOH AA 6 . ? 15.250 19.890 27.674 1.00 50.84 ? 845 HOH A H2 1 HETATM 6184 O O . HOH AA 6 . ? 33.155 43.232 6.847 1.00 50.66 ? 846 HOH A O 1 HETATM 6185 H H1 . HOH AA 6 . ? 32.804 42.399 6.506 1.00 50.66 ? 846 HOH A H1 1 HETATM 6186 H H2 . HOH AA 6 . ? 33.735 43.516 6.132 1.00 50.66 ? 846 HOH A H2 1 HETATM 6187 O O . HOH AA 6 . ? 30.687 37.290 6.236 1.00 50.83 ? 847 HOH A O 1 HETATM 6188 H H1 . HOH AA 6 . ? 30.570 36.923 5.353 1.00 50.83 ? 847 HOH A H1 1 HETATM 6189 H H2 . HOH AA 6 . ? 31.640 37.187 6.366 1.00 50.83 ? 847 HOH A H2 1 HETATM 6190 O O . HOH AA 6 . ? 45.373 10.488 36.140 1.00 50.16 ? 848 HOH A O 1 HETATM 6191 H H1 . HOH AA 6 . ? 46.227 10.585 35.688 1.00 50.16 ? 848 HOH A H1 1 HETATM 6192 H H2 . HOH AA 6 . ? 45.545 10.822 37.012 1.00 50.16 ? 848 HOH A H2 1 HETATM 6193 O O . HOH AA 6 . ? 33.416 44.317 16.740 1.00 43.89 ? 849 HOH A O 1 HETATM 6194 H H1 . HOH AA 6 . ? 33.908 44.702 17.472 1.00 43.89 ? 849 HOH A H1 1 HETATM 6195 H H2 . HOH AA 6 . ? 34.121 43.729 16.410 1.00 43.89 ? 849 HOH A H2 1 HETATM 6196 O O . HOH AA 6 . ? 30.504 33.572 0.232 1.00 45.33 ? 850 HOH A O 1 HETATM 6197 H H1 . HOH AA 6 . ? 31.021 34.098 0.855 1.00 45.33 ? 850 HOH A H1 1 HETATM 6198 H H2 . HOH AA 6 . ? 29.801 33.243 0.820 1.00 45.33 ? 850 HOH A H2 1 HETATM 6199 O O . HOH AA 6 . ? 28.755 41.719 22.141 1.00 60.46 ? 851 HOH A O 1 HETATM 6200 H H1 . HOH AA 6 . ? 28.283 42.522 22.357 1.00 60.46 ? 851 HOH A H1 1 HETATM 6201 H H2 . HOH AA 6 . ? 28.596 41.638 21.180 1.00 60.46 ? 851 HOH A H2 1 HETATM 6202 O O . HOH AA 6 . ? 25.143 35.192 29.429 1.00 55.95 ? 852 HOH A O 1 HETATM 6203 H H1 . HOH AA 6 . ? 24.447 34.958 28.801 1.00 55.95 ? 852 HOH A H1 1 HETATM 6204 H H2 . HOH AA 6 . ? 24.642 35.462 30.210 1.00 55.95 ? 852 HOH A H2 1 HETATM 6205 O O . HOH AA 6 . ? 56.276 22.260 2.205 1.00 45.83 ? 853 HOH A O 1 HETATM 6206 H H1 . HOH AA 6 . ? 56.053 21.756 3.013 1.00 45.83 ? 853 HOH A H1 1 HETATM 6207 H H2 . HOH AA 6 . ? 57.229 22.317 2.292 1.00 45.83 ? 853 HOH A H2 1 HETATM 6208 O O . HOH AA 6 . ? 22.580 7.128 39.332 1.00 42.82 ? 854 HOH A O 1 HETATM 6209 H H1 . HOH AA 6 . ? 22.173 7.607 40.064 1.00 42.82 ? 854 HOH A H1 1 HETATM 6210 H H2 . HOH AA 6 . ? 21.784 6.690 38.965 1.00 42.82 ? 854 HOH A H2 1 HETATM 6211 O O . HOH AA 6 . ? 52.904 32.549 31.799 1.00 52.02 ? 855 HOH A O 1 HETATM 6212 H H1 . HOH AA 6 . ? 52.417 33.106 31.171 1.00 52.02 ? 855 HOH A H1 1 HETATM 6213 H H2 . HOH AA 6 . ? 53.814 32.860 31.734 1.00 52.02 ? 855 HOH A H2 1 HETATM 6214 O O . HOH AA 6 . ? 25.903 23.181 -0.183 1.00 41.48 ? 856 HOH A O 1 HETATM 6215 H H1 . HOH AA 6 . ? 26.429 22.391 -0.326 1.00 41.48 ? 856 HOH A H1 1 HETATM 6216 H H2 . HOH AA 6 . ? 25.366 22.928 0.586 1.00 41.48 ? 856 HOH A H2 1 HETATM 6217 O O . HOH AA 6 . ? 68.344 38.024 28.429 1.00 64.74 ? 857 HOH A O 1 HETATM 6218 H H1 . HOH AA 6 . ? 68.525 38.966 28.234 1.00 64.74 ? 857 HOH A H1 1 HETATM 6219 H H2 . HOH AA 6 . ? 69.238 37.733 28.684 1.00 64.74 ? 857 HOH A H2 1 HETATM 6220 O O . HOH AA 6 . ? 35.868 42.919 16.975 1.00 45.03 ? 858 HOH A O 1 HETATM 6221 H H1 . HOH AA 6 . ? 35.904 43.125 17.909 1.00 45.03 ? 858 HOH A H1 1 HETATM 6222 H H2 . HOH AA 6 . ? 35.959 41.954 16.934 1.00 45.03 ? 858 HOH A H2 1 HETATM 6223 O O . HOH AA 6 . ? 44.717 -2.657 33.794 1.00 57.58 ? 859 HOH A O 1 HETATM 6224 H H1 . HOH AA 6 . ? 44.906 -2.689 34.731 1.00 57.58 ? 859 HOH A H1 1 HETATM 6225 H H2 . HOH AA 6 . ? 43.759 -2.769 33.758 1.00 57.58 ? 859 HOH A H2 1 HETATM 6226 O O . HOH AA 6 . ? 60.859 10.941 8.316 1.00 43.36 ? 860 HOH A O 1 HETATM 6227 H H1 . HOH AA 6 . ? 60.169 11.564 8.057 1.00 43.36 ? 860 HOH A H1 1 HETATM 6228 H H2 . HOH AA 6 . ? 60.359 10.146 8.550 1.00 43.36 ? 860 HOH A H2 1 HETATM 6229 O O . HOH AA 6 . ? 37.132 14.523 0.126 1.00 53.46 ? 861 HOH A O 1 HETATM 6230 H H1 . HOH AA 6 . ? 36.959 14.434 1.064 1.00 53.46 ? 861 HOH A H1 1 HETATM 6231 H H2 . HOH AA 6 . ? 36.960 15.455 -0.064 1.00 53.46 ? 861 HOH A H2 1 HETATM 6232 O O . HOH AA 6 . ? 36.030 13.414 45.324 1.00 64.64 ? 862 HOH A O 1 HETATM 6233 H H1 . HOH AA 6 . ? 35.354 14.028 45.640 1.00 64.64 ? 862 HOH A H1 1 HETATM 6234 H H2 . HOH AA 6 . ? 36.041 12.726 46.004 1.00 64.64 ? 862 HOH A H2 1 HETATM 6235 O O . HOH AA 6 . ? 59.651 14.537 28.178 1.00 54.86 ? 863 HOH A O 1 HETATM 6236 H H1 . HOH AA 6 . ? 58.721 14.700 28.368 1.00 54.86 ? 863 HOH A H1 1 HETATM 6237 H H2 . HOH AA 6 . ? 60.031 14.575 29.063 1.00 54.86 ? 863 HOH A H2 1 HETATM 6238 O O . HOH AA 6 . ? 64.429 22.000 28.839 1.00 46.63 ? 864 HOH A O 1 HETATM 6239 H H1 . HOH AA 6 . ? 63.596 22.422 28.593 1.00 46.63 ? 864 HOH A H1 1 HETATM 6240 H H2 . HOH AA 6 . ? 64.623 22.447 29.678 1.00 46.63 ? 864 HOH A H2 1 HETATM 6241 O O . HOH AA 6 . ? 27.426 28.830 -1.341 1.00 58.54 ? 865 HOH A O 1 HETATM 6242 H H1 . HOH AA 6 . ? 27.633 28.548 -2.249 1.00 58.54 ? 865 HOH A H1 1 HETATM 6243 H H2 . HOH AA 6 . ? 27.417 27.963 -0.912 1.00 58.54 ? 865 HOH A H2 1 HETATM 6244 O O . HOH AA 6 . ? 72.753 19.858 15.407 1.00 60.34 ? 866 HOH A O 1 HETATM 6245 H H1 . HOH AA 6 . ? 73.199 19.083 15.751 1.00 60.34 ? 866 HOH A H1 1 HETATM 6246 H H2 . HOH AA 6 . ? 71.858 19.492 15.300 1.00 60.34 ? 866 HOH A H2 1 HETATM 6247 O O . HOH AA 6 . ? 38.873 19.590 40.687 1.00 55.81 ? 867 HOH A O 1 HETATM 6248 H H1 . HOH AA 6 . ? 38.692 20.541 40.612 1.00 55.81 ? 867 HOH A H1 1 HETATM 6249 H H2 . HOH AA 6 . ? 38.462 19.464 41.560 1.00 55.81 ? 867 HOH A H2 1 HETATM 6250 O O . HOH AA 6 . ? 60.779 39.206 18.426 1.00 50.10 ? 868 HOH A O 1 HETATM 6251 H H1 . HOH AA 6 . ? 59.808 39.220 18.497 1.00 50.10 ? 868 HOH A H1 1 HETATM 6252 H H2 . HOH AA 6 . ? 60.858 39.011 17.466 1.00 50.10 ? 868 HOH A H2 1 HETATM 6253 O O . HOH AA 6 . ? 64.006 11.525 13.756 1.00 47.95 ? 869 HOH A O 1 HETATM 6254 H H1 . HOH AA 6 . ? 63.486 11.968 13.066 1.00 47.95 ? 869 HOH A H1 1 HETATM 6255 H H2 . HOH AA 6 . ? 64.818 12.053 13.715 1.00 47.95 ? 869 HOH A H2 1 HETATM 6256 O O . HOH AA 6 . ? 42.014 14.172 -0.588 1.00 66.83 ? 870 HOH A O 1 HETATM 6257 H H1 . HOH AA 6 . ? 42.113 13.561 -1.324 1.00 66.83 ? 870 HOH A H1 1 HETATM 6258 H H2 . HOH AA 6 . ? 41.598 14.942 -1.025 1.00 66.83 ? 870 HOH A H2 1 HETATM 6259 O O . HOH AA 6 . ? 28.345 41.454 19.349 1.00 56.87 ? 871 HOH A O 1 HETATM 6260 H H1 . HOH AA 6 . ? 28.544 42.189 18.737 1.00 56.87 ? 871 HOH A H1 1 HETATM 6261 H H2 . HOH AA 6 . ? 28.997 40.812 19.044 1.00 56.87 ? 871 HOH A H2 1 HETATM 6262 O O . HOH AA 6 . ? 39.522 26.340 36.377 1.00 57.82 ? 872 HOH A O 1 HETATM 6263 H H1 . HOH AA 6 . ? 40.441 26.098 36.224 1.00 57.82 ? 872 HOH A H1 1 HETATM 6264 H H2 . HOH AA 6 . ? 39.291 25.801 37.147 1.00 57.82 ? 872 HOH A H2 1 HETATM 6265 O O . HOH AA 6 . ? 15.400 36.409 5.636 1.00 52.75 ? 873 HOH A O 1 HETATM 6266 H H1 . HOH AA 6 . ? 16.099 36.172 6.267 1.00 52.75 ? 873 HOH A H1 1 HETATM 6267 H H2 . HOH AA 6 . ? 15.598 37.331 5.480 1.00 52.75 ? 873 HOH A H2 1 HETATM 6268 O O . HOH AA 6 . ? 41.541 3.768 38.356 1.00 56.83 ? 874 HOH A O 1 HETATM 6269 H H1 . HOH AA 6 . ? 42.013 4.590 38.574 1.00 56.83 ? 874 HOH A H1 1 HETATM 6270 H H2 . HOH AA 6 . ? 41.825 3.591 37.442 1.00 56.83 ? 874 HOH A H2 1 HETATM 6271 O O . HOH AA 6 . ? 55.797 17.508 34.634 1.00 48.64 ? 875 HOH A O 1 HETATM 6272 H H1 . HOH AA 6 . ? 55.001 18.057 34.581 1.00 48.64 ? 875 HOH A H1 1 HETATM 6273 H H2 . HOH AA 6 . ? 55.657 16.885 33.911 1.00 48.64 ? 875 HOH A H2 1 HETATM 6274 O O . HOH AA 6 . ? 50.668 38.558 0.461 1.00 55.42 ? 876 HOH A O 1 HETATM 6275 H H1 . HOH AA 6 . ? 50.174 37.740 0.598 1.00 55.42 ? 876 HOH A H1 1 HETATM 6276 H H2 . HOH AA 6 . ? 51.395 38.268 -0.111 1.00 55.42 ? 876 HOH A H2 1 HETATM 6277 O O . HOH AA 6 . ? 42.962 40.640 1.766 1.00 60.67 ? 877 HOH A O 1 HETATM 6278 H H1 . HOH AA 6 . ? 43.743 40.675 1.202 1.00 60.67 ? 877 HOH A H1 1 HETATM 6279 H H2 . HOH AA 6 . ? 42.293 40.204 1.216 1.00 60.67 ? 877 HOH A H2 1 HETATM 6280 O O . HOH AA 6 . ? 34.250 7.458 1.757 1.00 38.07 ? 878 HOH A O 1 HETATM 6281 H H1 . HOH AA 6 . ? 34.265 8.393 2.025 1.00 38.07 ? 878 HOH A H1 1 HETATM 6282 H H2 . HOH AA 6 . ? 33.938 7.036 2.576 1.00 38.07 ? 878 HOH A H2 1 HETATM 6283 O O . HOH AA 6 . ? 13.043 13.214 30.404 1.00 52.45 ? 879 HOH A O 1 HETATM 6284 H H1 . HOH AA 6 . ? 12.797 12.982 29.501 1.00 52.45 ? 879 HOH A H1 1 HETATM 6285 H H2 . HOH AA 6 . ? 12.221 13.293 30.877 1.00 52.45 ? 879 HOH A H2 1 HETATM 6286 O O . HOH AA 6 . ? 23.941 30.933 39.835 1.00 37.27 ? 880 HOH A O 1 HETATM 6287 H H1 . HOH AA 6 . ? 23.084 30.552 39.615 1.00 37.27 ? 880 HOH A H1 1 HETATM 6288 H H2 . HOH AA 6 . ? 24.189 31.316 38.970 1.00 37.27 ? 880 HOH A H2 1 HETATM 6289 O O . HOH AA 6 . ? 73.431 34.545 17.898 1.00 56.43 ? 881 HOH A O 1 HETATM 6290 H H1 . HOH AA 6 . ? 72.939 35.379 17.844 1.00 56.43 ? 881 HOH A H1 1 HETATM 6291 H H2 . HOH AA 6 . ? 73.215 34.216 18.792 1.00 56.43 ? 881 HOH A H2 1 HETATM 6292 O O . HOH AA 6 . ? 27.530 44.584 10.095 1.00 44.49 ? 882 HOH A O 1 HETATM 6293 H H1 . HOH AA 6 . ? 28.444 44.506 9.760 1.00 44.49 ? 882 HOH A H1 1 HETATM 6294 H H2 . HOH AA 6 . ? 27.307 43.643 10.187 1.00 44.49 ? 882 HOH A H2 1 HETATM 6295 O O . HOH AA 6 . ? 34.899 3.191 2.757 1.00 37.62 ? 883 HOH A O 1 HETATM 6296 H H1 . HOH AA 6 . ? 34.961 3.178 3.732 1.00 37.62 ? 883 HOH A H1 1 HETATM 6297 H H2 . HOH AA 6 . ? 33.943 3.272 2.652 1.00 37.62 ? 883 HOH A H2 1 HETATM 6298 O O . HOH AA 6 . ? 19.205 9.260 40.503 1.00 55.09 ? 884 HOH A O 1 HETATM 6299 H H1 . HOH AA 6 . ? 19.421 9.542 39.608 1.00 55.09 ? 884 HOH A H1 1 HETATM 6300 H H2 . HOH AA 6 . ? 19.616 9.952 41.049 1.00 55.09 ? 884 HOH A H2 1 HETATM 6301 O O . HOH AA 6 . ? 50.291 15.574 -1.550 1.00 74.81 ? 885 HOH A O 1 HETATM 6302 H H1 . HOH AA 6 . ? 49.522 15.749 -0.998 1.00 74.81 ? 885 HOH A H1 1 HETATM 6303 H H2 . HOH AA 6 . ? 49.893 15.283 -2.363 1.00 74.81 ? 885 HOH A H2 1 HETATM 6304 O O . HOH AA 6 . ? 19.909 0.060 14.163 1.00 60.14 ? 886 HOH A O 1 HETATM 6305 H H1 . HOH AA 6 . ? 19.622 -0.852 14.094 1.00 60.14 ? 886 HOH A H1 1 HETATM 6306 H H2 . HOH AA 6 . ? 19.524 0.382 14.987 1.00 60.14 ? 886 HOH A H2 1 HETATM 6307 O O . HOH AA 6 . ? 51.424 32.363 34.461 1.00 62.03 ? 887 HOH A O 1 HETATM 6308 H H1 . HOH AA 6 . ? 51.703 32.586 33.556 1.00 62.03 ? 887 HOH A H1 1 HETATM 6309 H H2 . HOH AA 6 . ? 52.001 31.616 34.642 1.00 62.03 ? 887 HOH A H2 1 HETATM 6310 O O . HOH AA 6 . ? 47.361 -2.261 10.253 1.00 47.67 ? 888 HOH A O 1 HETATM 6311 H H1 . HOH AA 6 . ? 46.441 -2.029 10.452 1.00 47.67 ? 888 HOH A H1 1 HETATM 6312 H H2 . HOH AA 6 . ? 47.544 -2.925 10.935 1.00 47.67 ? 888 HOH A H2 1 HETATM 6313 O O . HOH AA 6 . ? 15.188 34.581 20.694 1.00 48.06 ? 889 HOH A O 1 HETATM 6314 H H1 . HOH AA 6 . ? 15.955 34.279 21.216 1.00 48.06 ? 889 HOH A H1 1 HETATM 6315 H H2 . HOH AA 6 . ? 14.487 34.034 21.087 1.00 48.06 ? 889 HOH A H2 1 HETATM 6316 O O . HOH AA 6 . ? 48.258 39.142 2.435 1.00 73.14 ? 890 HOH A O 1 HETATM 6317 H H1 . HOH AA 6 . ? 48.468 39.313 3.362 1.00 73.14 ? 890 HOH A H1 1 HETATM 6318 H H2 . HOH AA 6 . ? 49.126 39.181 2.005 1.00 73.14 ? 890 HOH A H2 1 HETATM 6319 O O . HOH AA 6 . ? 25.649 39.997 18.313 1.00 62.60 ? 891 HOH A O 1 HETATM 6320 H H1 . HOH AA 6 . ? 26.288 40.602 18.715 1.00 62.60 ? 891 HOH A H1 1 HETATM 6321 H H2 . HOH AA 6 . ? 25.540 40.368 17.427 1.00 62.60 ? 891 HOH A H2 1 HETATM 6322 O O . HOH AA 6 . ? 45.770 -8.492 19.494 1.00 71.31 ? 892 HOH A O 1 HETATM 6323 H H1 . HOH AA 6 . ? 45.902 -8.438 20.435 1.00 71.31 ? 892 HOH A H1 1 HETATM 6324 H H2 . HOH AA 6 . ? 45.123 -7.792 19.324 1.00 71.31 ? 892 HOH A H2 1 HETATM 6325 O O . HOH AA 6 . ? 11.485 32.003 10.346 1.00 65.16 ? 893 HOH A O 1 HETATM 6326 H H1 . HOH AA 6 . ? 11.957 32.250 9.546 1.00 65.16 ? 893 HOH A H1 1 HETATM 6327 H H2 . HOH AA 6 . ? 10.578 32.192 10.099 1.00 65.16 ? 893 HOH A H2 1 HETATM 6328 O O . HOH AA 6 . ? 14.463 18.887 10.953 1.00 53.33 ? 894 HOH A O 1 HETATM 6329 H H1 . HOH AA 6 . ? 14.753 18.273 10.272 1.00 53.33 ? 894 HOH A H1 1 HETATM 6330 H H2 . HOH AA 6 . ? 13.831 18.354 11.460 1.00 53.33 ? 894 HOH A H2 1 HETATM 6331 O O . HOH AA 6 . ? 55.504 9.654 5.909 1.00 59.06 ? 895 HOH A O 1 HETATM 6332 H H1 . HOH AA 6 . ? 54.851 9.082 5.471 1.00 59.06 ? 895 HOH A H1 1 HETATM 6333 H H2 . HOH AA 6 . ? 55.045 10.501 5.846 1.00 59.06 ? 895 HOH A H2 1 HETATM 6334 O O . HOH AA 6 . ? 25.677 37.820 25.032 1.00 51.60 ? 896 HOH A O 1 HETATM 6335 H H1 . HOH AA 6 . ? 26.414 37.924 24.421 1.00 51.60 ? 896 HOH A H1 1 HETATM 6336 H H2 . HOH AA 6 . ? 25.060 37.240 24.550 1.00 51.60 ? 896 HOH A H2 1 HETATM 6337 O O . HOH AA 6 . ? 57.055 3.835 14.022 1.00 62.82 ? 897 HOH A O 1 HETATM 6338 H H1 . HOH AA 6 . ? 56.619 2.972 13.915 1.00 62.82 ? 897 HOH A H1 1 HETATM 6339 H H2 . HOH AA 6 . ? 56.366 4.407 13.667 1.00 62.82 ? 897 HOH A H2 1 HETATM 6340 O O . HOH AA 6 . ? 51.670 40.468 3.087 1.00 56.84 ? 898 HOH A O 1 HETATM 6341 H H1 . HOH AA 6 . ? 51.781 39.684 3.627 1.00 56.84 ? 898 HOH A H1 1 HETATM 6342 H H2 . HOH AA 6 . ? 51.825 40.143 2.192 1.00 56.84 ? 898 HOH A H2 1 HETATM 6343 O O . HOH AA 6 . ? 46.772 26.578 -5.200 1.00 66.26 ? 899 HOH A O 1 HETATM 6344 H H1 . HOH AA 6 . ? 47.645 26.557 -5.588 1.00 66.26 ? 899 HOH A H1 1 HETATM 6345 H H2 . HOH AA 6 . ? 46.910 27.161 -4.439 1.00 66.26 ? 899 HOH A H2 1 HETATM 6346 O O . HOH AA 6 . ? 20.312 28.545 39.234 1.00 57.71 ? 900 HOH A O 1 HETATM 6347 H H1 . HOH AA 6 . ? 19.614 27.894 39.317 1.00 57.71 ? 900 HOH A H1 1 HETATM 6348 H H2 . HOH AA 6 . ? 21.067 28.068 39.621 1.00 57.71 ? 900 HOH A H2 1 HETATM 6349 O O . HOH AA 6 . ? 42.285 29.986 35.269 1.00 48.83 ? 901 HOH A O 1 HETATM 6350 H H1 . HOH AA 6 . ? 41.398 29.721 34.973 1.00 48.83 ? 901 HOH A H1 1 HETATM 6351 H H2 . HOH AA 6 . ? 42.122 30.055 36.215 1.00 48.83 ? 901 HOH A H2 1 HETATM 6352 O O . HOH AA 6 . ? 18.660 38.656 4.508 1.00 57.61 ? 902 HOH A O 1 HETATM 6353 H H1 . HOH AA 6 . ? 18.136 39.098 5.187 1.00 57.61 ? 902 HOH A H1 1 HETATM 6354 H H2 . HOH AA 6 . ? 19.138 39.355 4.073 1.00 57.61 ? 902 HOH A H2 1 HETATM 6355 O O . HOH AA 6 . ? 47.084 34.618 33.831 1.00 61.21 ? 903 HOH A O 1 HETATM 6356 H H1 . HOH AA 6 . ? 47.797 33.980 33.812 1.00 61.21 ? 903 HOH A H1 1 HETATM 6357 H H2 . HOH AA 6 . ? 47.039 34.907 32.907 1.00 61.21 ? 903 HOH A H2 1 HETATM 6358 O O . HOH AA 6 . ? 62.923 14.638 23.466 1.00 58.51 ? 904 HOH A O 1 HETATM 6359 H H1 . HOH AA 6 . ? 62.549 15.236 24.137 1.00 58.51 ? 904 HOH A H1 1 HETATM 6360 H H2 . HOH AA 6 . ? 62.124 14.216 23.122 1.00 58.51 ? 904 HOH A H2 1 HETATM 6361 O O . HOH AA 6 . ? 52.575 9.339 4.174 1.00 63.24 ? 905 HOH A O 1 HETATM 6362 H H1 . HOH AA 6 . ? 51.649 9.396 4.441 1.00 63.24 ? 905 HOH A H1 1 HETATM 6363 H H2 . HOH AA 6 . ? 52.482 9.591 3.248 1.00 63.24 ? 905 HOH A H2 1 HETATM 6364 O O . HOH AA 6 . ? 34.177 15.274 -2.007 1.00 52.41 ? 906 HOH A O 1 HETATM 6365 H H1 . HOH AA 6 . ? 34.177 15.807 -2.816 1.00 52.41 ? 906 HOH A H1 1 HETATM 6366 H H2 . HOH AA 6 . ? 34.186 15.980 -1.337 1.00 52.41 ? 906 HOH A H2 1 HETATM 6367 O O . HOH AA 6 . ? 31.752 7.610 -0.753 1.00 59.13 ? 907 HOH A O 1 HETATM 6368 H H1 . HOH AA 6 . ? 31.303 6.842 -0.345 1.00 59.13 ? 907 HOH A H1 1 HETATM 6369 H H2 . HOH AA 6 . ? 32.649 7.491 -0.426 1.00 59.13 ? 907 HOH A H2 1 HETATM 6370 O O . HOH AA 6 . ? 24.940 30.989 0.632 1.00 53.07 ? 908 HOH A O 1 HETATM 6371 H H1 . HOH AA 6 . ? 25.406 30.262 1.067 1.00 53.07 ? 908 HOH A H1 1 HETATM 6372 H H2 . HOH AA 6 . ? 25.720 31.409 0.199 1.00 53.07 ? 908 HOH A H2 1 HETATM 6373 O O . HOH AA 6 . ? 13.789 10.283 20.882 1.00 54.62 ? 909 HOH A O 1 HETATM 6374 H H1 . HOH AA 6 . ? 14.098 9.432 21.271 1.00 54.62 ? 909 HOH A H1 1 HETATM 6375 H H2 . HOH AA 6 . ? 13.507 10.744 21.683 1.00 54.62 ? 909 HOH A H2 1 HETATM 6376 O O . HOH AA 6 . ? 54.222 39.159 8.426 1.00 62.47 ? 910 HOH A O 1 HETATM 6377 H H1 . HOH AA 6 . ? 54.311 39.757 7.670 1.00 62.47 ? 910 HOH A H1 1 HETATM 6378 H H2 . HOH AA 6 . ? 55.152 38.917 8.551 1.00 62.47 ? 910 HOH A H2 1 HETATM 6379 O O . HOH AA 6 . ? 45.788 -4.127 31.178 1.00 57.64 ? 911 HOH A O 1 HETATM 6380 H H1 . HOH AA 6 . ? 45.664 -4.477 30.291 1.00 57.64 ? 911 HOH A H1 1 HETATM 6381 H H2 . HOH AA 6 . ? 45.960 -4.899 31.718 1.00 57.64 ? 911 HOH A H2 1 HETATM 6382 O O . HOH AA 6 . ? 19.107 28.193 -2.674 1.00 67.06 ? 912 HOH A O 1 HETATM 6383 H H1 . HOH AA 6 . ? 18.485 28.739 -3.145 1.00 67.06 ? 912 HOH A H1 1 HETATM 6384 H H2 . HOH AA 6 . ? 18.783 27.297 -2.784 1.00 67.06 ? 912 HOH A H2 1 HETATM 6385 O O . HOH AA 6 . ? 53.799 -3.862 27.165 1.00 57.21 ? 913 HOH A O 1 HETATM 6386 H H1 . HOH AA 6 . ? 52.963 -4.270 26.969 1.00 57.21 ? 913 HOH A H1 1 HETATM 6387 H H2 . HOH AA 6 . ? 54.293 -4.599 27.607 1.00 57.21 ? 913 HOH A H2 1 HETATM 6388 O O . HOH AA 6 . ? 52.031 40.537 11.552 1.00 62.53 ? 914 HOH A O 1 HETATM 6389 H H1 . HOH AA 6 . ? 51.614 39.757 11.132 1.00 62.53 ? 914 HOH A H1 1 HETATM 6390 H H2 . HOH AA 6 . ? 52.952 40.277 11.615 1.00 62.53 ? 914 HOH A H2 1 HETATM 6391 O O . HOH AA 6 . ? 18.966 27.016 35.333 1.00 64.44 ? 915 HOH A O 1 HETATM 6392 H H1 . HOH AA 6 . ? 19.819 27.322 35.676 1.00 64.44 ? 915 HOH A H1 1 HETATM 6393 H H2 . HOH AA 6 . ? 18.660 27.791 34.842 1.00 64.44 ? 915 HOH A H2 1 HETATM 6394 O O . HOH AA 6 . ? 38.293 40.637 26.677 1.00 49.58 ? 916 HOH A O 1 HETATM 6395 H H1 . HOH AA 6 . ? 38.323 39.688 26.566 1.00 49.58 ? 916 HOH A H1 1 HETATM 6396 H H2 . HOH AA 6 . ? 37.559 40.905 26.113 1.00 49.58 ? 916 HOH A H2 1 HETATM 6397 O O . HOH AA 6 . ? 45.753 27.511 36.078 1.00 57.15 ? 917 HOH A O 1 HETATM 6398 H H1 . HOH AA 6 . ? 46.707 27.676 36.082 1.00 57.15 ? 917 HOH A H1 1 HETATM 6399 H H2 . HOH AA 6 . ? 45.466 28.249 35.510 1.00 57.15 ? 917 HOH A H2 1 HETATM 6400 O O . HOH AA 6 . ? 46.274 6.607 34.291 1.00 69.75 ? 918 HOH A O 1 HETATM 6401 H H1 . HOH AA 6 . ? 47.203 6.447 34.510 1.00 69.75 ? 918 HOH A H1 1 HETATM 6402 H H2 . HOH AA 6 . ? 45.891 6.862 35.137 1.00 69.75 ? 918 HOH A H2 1 HETATM 6403 O O . HOH AA 6 . ? 65.006 34.305 11.315 1.00 50.84 ? 919 HOH A O 1 HETATM 6404 H H1 . HOH AA 6 . ? 65.636 34.681 11.958 1.00 50.84 ? 919 HOH A H1 1 HETATM 6405 H H2 . HOH AA 6 . ? 64.858 33.413 11.632 1.00 50.84 ? 919 HOH A H2 1 HETATM 6406 O O . HOH AA 6 . ? 21.806 19.140 3.726 1.00 45.40 ? 920 HOH A O 1 HETATM 6407 H H1 . HOH AA 6 . ? 22.110 18.738 2.885 1.00 45.40 ? 920 HOH A H1 1 HETATM 6408 H H2 . HOH AA 6 . ? 21.478 20.003 3.456 1.00 45.40 ? 920 HOH A H2 1 HETATM 6409 O O . HOH AA 6 . ? 44.072 -4.681 13.733 1.00 48.87 ? 921 HOH A O 1 HETATM 6410 H H1 . HOH AA 6 . ? 43.513 -5.148 13.086 1.00 48.87 ? 921 HOH A H1 1 HETATM 6411 H H2 . HOH AA 6 . ? 44.733 -5.363 13.934 1.00 48.87 ? 921 HOH A H2 1 HETATM 6412 O O . HOH AA 6 . ? 18.355 17.544 6.664 1.00 51.53 ? 922 HOH A O 1 HETATM 6413 H H1 . HOH AA 6 . ? 19.049 18.213 6.768 1.00 51.53 ? 922 HOH A H1 1 HETATM 6414 H H2 . HOH AA 6 . ? 18.567 17.235 5.769 1.00 51.53 ? 922 HOH A H2 1 HETATM 6415 O O . HOH AA 6 . ? 25.198 10.069 45.169 1.00 53.76 ? 923 HOH A O 1 HETATM 6416 H H1 . HOH AA 6 . ? 25.988 10.209 45.704 1.00 53.76 ? 923 HOH A H1 1 HETATM 6417 H H2 . HOH AA 6 . ? 24.516 10.382 45.777 1.00 53.76 ? 923 HOH A H2 1 HETATM 6418 O O . HOH AA 6 . ? 24.049 19.820 47.745 1.00 57.51 ? 924 HOH A O 1 HETATM 6419 H H1 . HOH AA 6 . ? 24.994 19.661 47.618 1.00 57.51 ? 924 HOH A H1 1 HETATM 6420 H H2 . HOH AA 6 . ? 23.993 20.783 47.756 1.00 57.51 ? 924 HOH A H2 1 HETATM 6421 O O . HOH AA 6 . ? 67.116 35.368 13.181 1.00 56.66 ? 925 HOH A O 1 HETATM 6422 H H1 . HOH AA 6 . ? 66.974 36.067 13.837 1.00 56.66 ? 925 HOH A H1 1 HETATM 6423 H H2 . HOH AA 6 . ? 68.062 35.412 12.971 1.00 56.66 ? 925 HOH A H2 1 HETATM 6424 O O . HOH AA 6 . ? 19.234 40.005 7.180 1.00 50.56 ? 926 HOH A O 1 HETATM 6425 H H1 . HOH AA 6 . ? 18.883 40.868 7.405 1.00 50.56 ? 926 HOH A H1 1 HETATM 6426 H H2 . HOH AA 6 . ? 20.143 40.175 6.910 1.00 50.56 ? 926 HOH A H2 1 HETATM 6427 O O . HOH AA 6 . ? 49.907 -0.772 30.341 1.00 61.49 ? 927 HOH A O 1 HETATM 6428 H H1 . HOH AA 6 . ? 50.759 -1.227 30.292 1.00 61.49 ? 927 HOH A H1 1 HETATM 6429 H H2 . HOH AA 6 . ? 49.280 -1.457 30.590 1.00 61.49 ? 927 HOH A H2 1 HETATM 6430 O O . HOH AA 6 . ? 40.735 31.962 -5.350 1.00 64.24 ? 928 HOH A O 1 HETATM 6431 H H1 . HOH AA 6 . ? 40.342 31.125 -5.075 1.00 64.24 ? 928 HOH A H1 1 HETATM 6432 H H2 . HOH AA 6 . ? 40.066 32.597 -5.074 1.00 64.24 ? 928 HOH A H2 1 HETATM 6433 O O . HOH AA 6 . ? 24.687 15.691 1.586 1.00 48.57 ? 929 HOH A O 1 HETATM 6434 H H1 . HOH AA 6 . ? 25.550 15.323 1.365 1.00 48.57 ? 929 HOH A H1 1 HETATM 6435 H H2 . HOH AA 6 . ? 24.270 14.988 2.122 1.00 48.57 ? 929 HOH A H2 1 HETATM 6436 O O . HOH AA 6 . ? 13.585 9.976 29.043 1.00 53.84 ? 930 HOH A O 1 HETATM 6437 H H1 . HOH AA 6 . ? 12.690 10.297 29.016 1.00 53.84 ? 930 HOH A H1 1 HETATM 6438 H H2 . HOH AA 6 . ? 13.728 9.717 29.958 1.00 53.84 ? 930 HOH A H2 1 HETATM 6439 O O . HOH AA 6 . ? 57.105 33.627 27.791 1.00 47.67 ? 931 HOH A O 1 HETATM 6440 H H1 . HOH AA 6 . ? 57.587 33.827 28.604 1.00 47.67 ? 931 HOH A H1 1 HETATM 6441 H H2 . HOH AA 6 . ? 56.202 33.479 28.116 1.00 47.67 ? 931 HOH A H2 1 HETATM 6442 O O . HOH AA 6 . ? 45.666 12.905 -2.383 1.00 56.82 ? 932 HOH A O 1 HETATM 6443 H H1 . HOH AA 6 . ? 46.341 12.337 -2.002 1.00 56.82 ? 932 HOH A H1 1 HETATM 6444 H H2 . HOH AA 6 . ? 44.907 12.328 -2.476 1.00 56.82 ? 932 HOH A H2 1 HETATM 6445 O O . HOH AA 6 . ? 68.756 38.098 24.167 1.00 51.71 ? 933 HOH A O 1 HETATM 6446 H H1 . HOH AA 6 . ? 69.448 38.629 24.573 1.00 51.71 ? 933 HOH A H1 1 HETATM 6447 H H2 . HOH AA 6 . ? 69.038 37.193 24.350 1.00 51.71 ? 933 HOH A H2 1 HETATM 6448 O O . HOH AA 6 . ? 56.384 34.126 -2.038 1.00 63.21 ? 934 HOH A O 1 HETATM 6449 H H1 . HOH AA 6 . ? 57.031 34.259 -1.313 1.00 63.21 ? 934 HOH A H1 1 HETATM 6450 H H2 . HOH AA 6 . ? 56.963 34.117 -2.804 1.00 63.21 ? 934 HOH A H2 1 HETATM 6451 O O . HOH AA 6 . ? 66.263 14.246 13.130 1.00 66.19 ? 935 HOH A O 1 HETATM 6452 H H1 . HOH AA 6 . ? 65.311 14.396 12.942 1.00 66.19 ? 935 HOH A H1 1 HETATM 6453 H H2 . HOH AA 6 . ? 66.657 15.091 12.905 1.00 66.19 ? 935 HOH A H2 1 HETATM 6454 O O . HOH AA 6 . ? 15.283 4.764 20.577 1.00 53.03 ? 936 HOH A O 1 HETATM 6455 H H1 . HOH AA 6 . ? 14.914 4.079 20.030 1.00 53.03 ? 936 HOH A H1 1 HETATM 6456 H H2 . HOH AA 6 . ? 15.405 4.332 21.436 1.00 53.03 ? 936 HOH A H2 1 HETATM 6457 O O . HOH AA 6 . ? 21.705 32.381 27.830 1.00 65.98 ? 937 HOH A O 1 HETATM 6458 H H1 . HOH AA 6 . ? 22.526 31.921 27.626 1.00 65.98 ? 937 HOH A H1 1 HETATM 6459 H H2 . HOH AA 6 . ? 21.342 31.871 28.552 1.00 65.98 ? 937 HOH A H2 1 HETATM 6460 O O . HOH AA 6 . ? 62.245 33.069 4.060 1.00 58.10 ? 938 HOH A O 1 HETATM 6461 H H1 . HOH AA 6 . ? 62.184 32.130 3.824 1.00 58.10 ? 938 HOH A H1 1 HETATM 6462 H H2 . HOH AA 6 . ? 63.185 33.251 3.974 1.00 58.10 ? 938 HOH A H2 1 HETATM 6463 O O . HOH AA 6 . ? 24.134 11.797 47.252 1.00 54.68 ? 939 HOH A O 1 HETATM 6464 H H1 . HOH AA 6 . ? 24.276 12.665 46.847 1.00 54.68 ? 939 HOH A H1 1 HETATM 6465 H H2 . HOH AA 6 . ? 23.202 11.667 47.017 1.00 54.68 ? 939 HOH A H2 1 HETATM 6466 O O . HOH AA 6 . ? 28.226 6.887 45.621 1.00 66.22 ? 940 HOH A O 1 HETATM 6467 H H1 . HOH AA 6 . ? 28.271 7.079 44.684 1.00 66.22 ? 940 HOH A H1 1 HETATM 6468 H H2 . HOH AA 6 . ? 28.643 7.681 45.978 1.00 66.22 ? 940 HOH A H2 1 HETATM 6469 O O . HOH AA 6 . ? 41.379 -7.579 17.247 1.00 58.29 ? 941 HOH A O 1 HETATM 6470 H H1 . HOH AA 6 . ? 41.179 -7.504 18.189 1.00 58.29 ? 941 HOH A H1 1 HETATM 6471 H H2 . HOH AA 6 . ? 40.668 -8.182 16.949 1.00 58.29 ? 941 HOH A H2 1 HETATM 6472 O O . HOH AA 6 . ? 62.583 37.391 11.535 1.00 63.61 ? 942 HOH A O 1 HETATM 6473 H H1 . HOH AA 6 . ? 61.949 37.317 10.816 1.00 63.61 ? 942 HOH A H1 1 HETATM 6474 H H2 . HOH AA 6 . ? 63.299 36.819 11.222 1.00 63.61 ? 942 HOH A H2 1 HETATM 6475 O O . HOH AA 6 . ? 65.178 29.068 35.584 1.00 50.06 ? 943 HOH A O 1 HETATM 6476 H H1 . HOH AA 6 . ? 64.506 29.302 36.228 1.00 50.06 ? 943 HOH A H1 1 HETATM 6477 H H2 . HOH AA 6 . ? 64.932 29.615 34.828 1.00 50.06 ? 943 HOH A H2 1 HETATM 6478 O O . HOH AA 6 . ? 55.721 14.200 2.761 1.00 66.48 ? 944 HOH A O 1 HETATM 6479 H H1 . HOH AA 6 . ? 56.580 14.073 3.174 1.00 66.48 ? 944 HOH A H1 1 HETATM 6480 H H2 . HOH AA 6 . ? 55.151 13.634 3.301 1.00 66.48 ? 944 HOH A H2 1 HETATM 6481 O O . HOH AA 6 . ? 57.752 8.326 36.152 1.00 64.36 ? 945 HOH A O 1 HETATM 6482 H H1 . HOH AA 6 . ? 57.954 9.248 35.973 1.00 64.36 ? 945 HOH A H1 1 HETATM 6483 H H2 . HOH AA 6 . ? 57.274 8.048 35.363 1.00 64.36 ? 945 HOH A H2 1 HETATM 6484 O O . HOH AA 6 . ? 62.518 37.571 6.739 1.00 59.80 ? 946 HOH A O 1 HETATM 6485 H H1 . HOH AA 6 . ? 62.808 38.294 6.173 1.00 59.80 ? 946 HOH A H1 1 HETATM 6486 H H2 . HOH AA 6 . ? 63.336 37.200 7.080 1.00 59.80 ? 946 HOH A H2 1 HETATM 6487 O O . HOH AA 6 . ? 28.457 42.098 4.611 1.00 65.64 ? 947 HOH A O 1 HETATM 6488 H H1 . HOH AA 6 . ? 28.747 41.975 5.533 1.00 65.64 ? 947 HOH A H1 1 HETATM 6489 H H2 . HOH AA 6 . ? 29.249 41.866 4.118 1.00 65.64 ? 947 HOH A H2 1 HETATM 6490 O O . HOH AA 6 . ? 42.341 9.242 40.103 1.00 57.71 ? 948 HOH A O 1 HETATM 6491 H H1 . HOH AA 6 . ? 43.057 9.440 39.504 1.00 57.71 ? 948 HOH A H1 1 HETATM 6492 H H2 . HOH AA 6 . ? 42.159 8.321 39.824 1.00 57.71 ? 948 HOH A H2 1 HETATM 6493 O O . HOH AA 6 . ? 19.754 16.059 3.587 1.00 67.47 ? 949 HOH A O 1 HETATM 6494 H H1 . HOH AA 6 . ? 20.530 15.738 4.066 1.00 67.47 ? 949 HOH A H1 1 HETATM 6495 H H2 . HOH AA 6 . ? 20.131 16.778 3.070 1.00 67.47 ? 949 HOH A H2 1 HETATM 6496 O O . HOH AA 6 . ? 48.748 29.441 35.283 1.00 65.49 ? 950 HOH A O 1 HETATM 6497 H H1 . HOH AA 6 . ? 49.282 29.914 35.929 1.00 65.49 ? 950 HOH A H1 1 HETATM 6498 H H2 . HOH AA 6 . ? 48.677 30.084 34.567 1.00 65.49 ? 950 HOH A H2 1 HETATM 6499 O O . HOH AA 6 . ? 47.604 18.353 -4.139 1.00 50.72 ? 951 HOH A O 1 HETATM 6500 H H1 . HOH AA 6 . ? 47.444 17.481 -4.495 1.00 50.72 ? 951 HOH A H1 1 HETATM 6501 H H2 . HOH AA 6 . ? 46.926 18.897 -4.583 1.00 50.72 ? 951 HOH A H2 1 HETATM 6502 O O . HOH AA 6 . ? 69.192 40.740 27.125 1.00 63.11 ? 952 HOH A O 1 HETATM 6503 H H1 . HOH AA 6 . ? 69.767 40.231 26.520 1.00 63.11 ? 952 HOH A H1 1 HETATM 6504 H H2 . HOH AA 6 . ? 69.647 41.590 27.136 1.00 63.11 ? 952 HOH A H2 1 HETATM 6505 O O . HOH AA 6 . ? 49.030 3.948 35.919 1.00 50.80 ? 953 HOH A O 1 HETATM 6506 H H1 . HOH AA 6 . ? 49.723 4.483 35.519 1.00 50.80 ? 953 HOH A H1 1 HETATM 6507 H H2 . HOH AA 6 . ? 49.483 3.483 36.624 1.00 50.80 ? 953 HOH A H2 1 HETATM 6508 O O . HOH AA 6 . ? 31.443 37.337 2.157 1.00 73.95 ? 954 HOH A O 1 HETATM 6509 H H1 . HOH AA 6 . ? 30.933 36.546 2.369 1.00 73.95 ? 954 HOH A H1 1 HETATM 6510 H H2 . HOH AA 6 . ? 32.312 36.955 1.978 1.00 73.95 ? 954 HOH A H2 1 HETATM 6511 O O . HOH AA 6 . ? 56.029 2.384 17.786 1.00 65.12 ? 955 HOH A O 1 HETATM 6512 H H1 . HOH AA 6 . ? 56.547 1.680 18.164 1.00 65.12 ? 955 HOH A H1 1 HETATM 6513 H H2 . HOH AA 6 . ? 56.454 3.176 18.123 1.00 65.12 ? 955 HOH A H2 1 HETATM 6514 O O . HOH AA 6 . ? 19.327 37.097 22.675 1.00 58.02 ? 956 HOH A O 1 HETATM 6515 H H1 . HOH AA 6 . ? 19.133 36.457 23.350 1.00 58.02 ? 956 HOH A H1 1 HETATM 6516 H H2 . HOH AA 6 . ? 18.483 37.181 22.216 1.00 58.02 ? 956 HOH A H2 1 HETATM 6517 O O . HOH AA 6 . ? 61.939 34.637 32.125 1.00 60.71 ? 957 HOH A O 1 HETATM 6518 H H1 . HOH AA 6 . ? 62.510 34.952 31.406 1.00 60.71 ? 957 HOH A H1 1 HETATM 6519 H H2 . HOH AA 6 . ? 61.299 34.101 31.644 1.00 60.71 ? 957 HOH A H2 1 HETATM 6520 O O . HOH AA 6 . ? 14.924 2.991 14.477 1.00 63.39 ? 958 HOH A O 1 HETATM 6521 H H1 . HOH AA 6 . ? 14.636 2.150 14.140 1.00 63.39 ? 958 HOH A H1 1 HETATM 6522 H H2 . HOH AA 6 . ? 15.554 2.730 15.172 1.00 63.39 ? 958 HOH A H2 1 HETATM 6523 O O . HOH AA 6 . ? 21.045 11.952 46.254 1.00 54.66 ? 959 HOH A O 1 HETATM 6524 H H1 . HOH AA 6 . ? 21.302 12.095 45.323 1.00 54.66 ? 959 HOH A H1 1 HETATM 6525 H H2 . HOH AA 6 . ? 20.611 11.091 46.145 1.00 54.66 ? 959 HOH A H2 1 HETATM 6526 O O . HOH AA 6 . ? 16.322 0.975 16.729 1.00 50.53 ? 960 HOH A O 1 HETATM 6527 H H1 . HOH AA 6 . ? 16.286 0.174 16.202 1.00 50.53 ? 960 HOH A H1 1 HETATM 6528 H H2 . HOH AA 6 . ? 16.996 0.755 17.394 1.00 50.53 ? 960 HOH A H2 1 HETATM 6529 O O . HOH AA 6 . ? 37.141 41.578 -2.495 1.00 45.54 ? 961 HOH A O 1 HETATM 6530 H H1 . HOH AA 6 . ? 36.870 41.323 -1.595 1.00 45.54 ? 961 HOH A H1 1 HETATM 6531 H H2 . HOH AA 6 . ? 37.414 40.698 -2.786 1.00 45.54 ? 961 HOH A H2 1 HETATM 6532 O O . HOH AA 6 . ? 33.112 37.160 33.184 1.00 59.56 ? 962 HOH A O 1 HETATM 6533 H H1 . HOH AA 6 . ? 32.383 36.543 33.053 1.00 59.56 ? 962 HOH A H1 1 HETATM 6534 H H2 . HOH AA 6 . ? 33.268 37.532 32.322 1.00 59.56 ? 962 HOH A H2 1 HETATM 6535 O O . HOH AA 6 . ? 51.203 20.688 -2.048 1.00 65.29 ? 963 HOH A O 1 HETATM 6536 H H1 . HOH AA 6 . ? 50.856 19.954 -2.548 1.00 65.29 ? 963 HOH A H1 1 HETATM 6537 H H2 . HOH AA 6 . ? 50.508 20.943 -1.439 1.00 65.29 ? 963 HOH A H2 1 HETATM 6538 O O . HOH AA 6 . ? 57.394 -6.755 25.638 1.00 66.58 ? 964 HOH A O 1 HETATM 6539 H H1 . HOH AA 6 . ? 58.096 -7.021 25.043 1.00 66.58 ? 964 HOH A H1 1 HETATM 6540 H H2 . HOH AA 6 . ? 56.651 -6.618 25.035 1.00 66.58 ? 964 HOH A H2 1 HETATM 6541 O O . HOH AA 6 . ? 38.965 13.967 44.510 1.00 65.27 ? 965 HOH A O 1 HETATM 6542 H H1 . HOH AA 6 . ? 38.044 13.653 44.589 1.00 65.27 ? 965 HOH A H1 1 HETATM 6543 H H2 . HOH AA 6 . ? 38.942 14.776 45.008 1.00 65.27 ? 965 HOH A H2 1 HETATM 6544 O O . HOH AA 6 . ? 46.660 40.155 -0.129 1.00 65.43 ? 966 HOH A O 1 HETATM 6545 H H1 . HOH AA 6 . ? 46.922 39.492 -0.766 1.00 65.43 ? 966 HOH A H1 1 HETATM 6546 H H2 . HOH AA 6 . ? 47.064 39.831 0.692 1.00 65.43 ? 966 HOH A H2 1 HETATM 6547 O O . HOH AA 6 . ? 14.672 34.903 17.327 1.00 60.18 ? 967 HOH A O 1 HETATM 6548 H H1 . HOH AA 6 . ? 15.071 35.219 18.149 1.00 60.18 ? 967 HOH A H1 1 HETATM 6549 H H2 . HOH AA 6 . ? 14.521 33.987 17.519 1.00 60.18 ? 967 HOH A H2 1 HETATM 6550 O O . HOH AA 6 . ? 45.734 -0.874 7.690 1.00 71.68 ? 968 HOH A O 1 HETATM 6551 H H1 . HOH AA 6 . ? 45.987 -1.452 6.971 1.00 71.68 ? 968 HOH A H1 1 HETATM 6552 H H2 . HOH AA 6 . ? 45.211 -1.417 8.287 1.00 71.68 ? 968 HOH A H2 1 HETATM 6553 O O . HOH AA 6 . ? 20.536 29.387 36.408 1.00 60.23 ? 969 HOH A O 1 HETATM 6554 H H1 . HOH AA 6 . ? 20.593 29.199 37.367 1.00 60.23 ? 969 HOH A H1 1 HETATM 6555 H H2 . HOH AA 6 . ? 19.631 29.688 36.316 1.00 60.23 ? 969 HOH A H2 1 HETATM 6556 O O . HOH AA 6 . ? 23.765 17.756 44.038 1.00 24.70 ? 970 HOH A O 1 HETATM 6557 H H1 . HOH AA 6 . ? 23.118 18.463 44.117 1.00 24.70 ? 970 HOH A H1 1 HETATM 6558 H H2 . HOH AA 6 . ? 24.055 17.652 44.962 1.00 24.70 ? 970 HOH A H2 1 HETATM 6559 O O A HOH AA 6 . ? 60.816 22.564 23.667 0.50 7.21 ? 971 HOH A O 1 HETATM 6560 O O B HOH AA 6 . ? 61.231 20.896 23.788 0.50 22.25 ? 971 HOH A O 1 HETATM 6561 H H1 A HOH AA 6 . ? 60.108 21.943 23.411 0.50 7.21 ? 971 HOH A H1 1 HETATM 6562 H H1 B HOH AA 6 . ? 61.594 20.013 24.035 0.50 22.25 ? 971 HOH A H1 1 HETATM 6563 H H2 A HOH AA 6 . ? 61.044 22.945 22.807 0.50 7.21 ? 971 HOH A H2 1 HETATM 6564 H H2 B HOH AA 6 . ? 60.374 20.696 23.387 0.50 22.25 ? 971 HOH A H2 1 HETATM 6565 O O . HOH AA 6 . ? 43.729 21.121 26.379 1.00 17.11 ? 972 HOH A O 1 HETATM 6566 H H1 . HOH AA 6 . ? 44.541 21.449 25.968 1.00 17.11 ? 972 HOH A H1 1 HETATM 6567 H H2 . HOH AA 6 . ? 44.045 20.903 27.278 1.00 17.11 ? 972 HOH A H2 1 HETATM 6568 O O . HOH AA 6 . ? 38.665 3.782 37.560 1.00 23.28 ? 973 HOH A O 1 HETATM 6569 H H1 . HOH AA 6 . ? 39.558 3.384 37.607 1.00 23.28 ? 973 HOH A H1 1 HETATM 6570 H H2 . HOH AA 6 . ? 38.822 4.572 38.095 1.00 23.28 ? 973 HOH A H2 1 HETATM 6571 O O . HOH AA 6 . ? 16.096 1.479 33.236 1.00 16.92 ? 974 HOH A O 1 HETATM 6572 H H1 . HOH AA 6 . ? 15.905 0.532 33.345 1.00 16.92 ? 974 HOH A H1 1 HETATM 6573 H H2 . HOH AA 6 . ? 16.787 1.648 33.873 1.00 16.92 ? 974 HOH A H2 1 HETATM 6574 O O A HOH AA 6 . ? 19.359 1.588 28.974 0.50 9.84 ? 975 HOH A O 1 HETATM 6575 O O B HOH AA 6 . ? 18.912 1.651 30.474 0.50 5.90 ? 975 HOH A O 1 HETATM 6576 H H1 A HOH AA 6 . ? 19.204 0.979 29.711 0.50 9.84 ? 975 HOH A H1 1 HETATM 6577 H H1 B HOH AA 6 . ? 19.483 0.852 30.468 0.50 5.90 ? 975 HOH A H1 1 HETATM 6578 H H2 A HOH AA 6 . ? 19.866 0.991 28.378 0.50 9.84 ? 975 HOH A H2 1 HETATM 6579 H H2 B HOH AA 6 . ? 18.130 1.330 30.921 0.50 5.90 ? 975 HOH A H2 1 HETATM 6580 O O . HOH AA 6 . ? 17.206 15.320 7.893 1.00 47.91 ? 976 HOH A O 1 HETATM 6581 H H1 . HOH AA 6 . ? 17.717 16.086 7.548 1.00 47.91 ? 976 HOH A H1 1 HETATM 6582 H H2 . HOH AA 6 . ? 16.338 15.712 7.983 1.00 47.91 ? 976 HOH A H2 1 HETATM 6583 O O . HOH AA 6 . ? 62.415 18.833 24.890 1.00 33.17 ? 977 HOH A O 1 HETATM 6584 H H1 . HOH AA 6 . ? 63.356 18.619 24.745 1.00 33.17 ? 977 HOH A H1 1 HETATM 6585 H H2 . HOH AA 6 . ? 62.494 19.188 25.797 1.00 33.17 ? 977 HOH A H2 1 HETATM 6586 O O . HOH AA 6 . ? 28.950 21.374 2.475 1.00 38.08 ? 978 HOH A O 1 HETATM 6587 H H1 . HOH AA 6 . ? 29.466 20.569 2.298 1.00 38.08 ? 978 HOH A H1 1 HETATM 6588 H H2 . HOH AA 6 . ? 29.653 21.945 2.833 1.00 38.08 ? 978 HOH A H2 1 HETATM 6589 O O . HOH AA 6 . ? 20.401 0.431 23.190 1.00 33.19 ? 979 HOH A O 1 HETATM 6590 H H1 . HOH AA 6 . ? 19.553 0.792 23.483 1.00 33.19 ? 979 HOH A H1 1 HETATM 6591 H H2 . HOH AA 6 . ? 20.113 -0.222 22.511 1.00 33.19 ? 979 HOH A H2 1 HETATM 6592 O O A HOH AA 6 . ? 43.004 12.888 35.569 0.50 11.72 ? 980 HOH A O 1 HETATM 6593 O O B HOH AA 6 . ? 41.334 14.309 35.591 0.50 22.51 ? 980 HOH A O 1 HETATM 6594 H H1 A HOH AA 6 . ? 43.157 13.071 34.635 0.50 11.72 ? 980 HOH A H1 1 HETATM 6595 H H1 B HOH AA 6 . ? 41.165 15.091 35.033 0.50 22.51 ? 980 HOH A H1 1 HETATM 6596 H H2 A HOH AA 6 . ? 43.696 12.246 35.757 0.50 11.72 ? 980 HOH A H2 1 HETATM 6597 H H2 B HOH AA 6 . ? 42.169 13.988 35.234 0.50 22.51 ? 980 HOH A H2 1 HETATM 6598 O O A HOH AA 6 . ? 72.102 31.277 20.734 0.50 5.16 ? 981 HOH A O 1 HETATM 6599 O O B HOH AA 6 . ? 71.789 29.225 20.227 0.50 15.72 ? 981 HOH A O 1 HETATM 6600 H H1 A HOH AA 6 . ? 71.709 31.713 21.507 0.50 5.16 ? 981 HOH A H1 1 HETATM 6601 H H1 B HOH AA 6 . ? 71.560 30.154 20.112 0.50 15.72 ? 981 HOH A H1 1 HETATM 6602 H H2 A HOH AA 6 . ? 71.717 31.832 20.041 0.50 5.16 ? 981 HOH A H2 1 HETATM 6603 H H2 B HOH AA 6 . ? 72.171 28.977 19.367 0.50 15.72 ? 981 HOH A H2 1 HETATM 6604 O O . HOH AA 6 . ? 27.032 19.882 3.482 1.00 48.02 ? 982 HOH A O 1 HETATM 6605 H H1 . HOH AA 6 . ? 27.303 19.284 2.776 1.00 48.02 ? 982 HOH A H1 1 HETATM 6606 H H2 . HOH AA 6 . ? 27.787 20.512 3.430 1.00 48.02 ? 982 HOH A H2 1 HETATM 6607 O O A HOH AA 6 . ? 18.411 5.927 38.031 0.50 20.07 ? 983 HOH A O 1 HETATM 6608 O O B HOH AA 6 . ? 20.008 6.176 38.845 0.50 29.09 ? 983 HOH A O 1 HETATM 6609 H H1 A HOH AA 6 . ? 18.123 5.173 37.499 0.50 20.07 ? 983 HOH A H1 1 HETATM 6610 H H1 B HOH AA 6 . ? 19.139 6.217 39.270 0.50 29.09 ? 983 HOH A H1 1 HETATM 6611 H H2 A HOH AA 6 . ? 18.607 5.492 38.869 0.50 20.07 ? 983 HOH A H2 1 HETATM 6612 H H2 B HOH AA 6 . ? 20.166 5.213 38.916 0.50 29.09 ? 983 HOH A H2 1 HETATM 6613 O O . HOH AA 6 . ? 57.293 6.192 16.319 1.00 39.80 ? 984 HOH A O 1 HETATM 6614 H H1 . HOH AA 6 . ? 57.392 5.581 15.575 1.00 39.80 ? 984 HOH A H1 1 HETATM 6615 H H2 . HOH AA 6 . ? 56.363 6.443 16.243 1.00 39.80 ? 984 HOH A H2 1 HETATM 6616 O O . HOH AA 6 . ? 47.467 1.235 8.367 1.00 45.17 ? 985 HOH A O 1 HETATM 6617 H H1 . HOH AA 6 . ? 47.654 0.708 9.155 1.00 45.17 ? 985 HOH A H1 1 HETATM 6618 H H2 . HOH AA 6 . ? 46.563 0.918 8.174 1.00 45.17 ? 985 HOH A H2 1 HETATM 6619 O O A HOH AA 6 . ? 36.642 15.735 40.182 0.50 16.62 ? 986 HOH A O 1 HETATM 6620 O O B HOH AA 6 . ? 37.118 17.236 41.268 0.50 25.32 ? 986 HOH A O 1 HETATM 6621 H H1 A HOH AA 6 . ? 37.152 15.215 39.532 0.50 16.62 ? 986 HOH A H1 1 HETATM 6622 H H1 B HOH AA 6 . ? 37.723 17.693 40.673 0.50 25.32 ? 986 HOH A H1 1 HETATM 6623 H H2 A HOH AA 6 . ? 37.050 16.602 40.136 0.50 16.62 ? 986 HOH A H2 1 HETATM 6624 H H2 B HOH AA 6 . ? 36.570 17.966 41.588 0.50 25.32 ? 986 HOH A H2 1 HETATM 6625 O O . HOH AA 6 . ? 13.729 14.900 10.716 1.00 36.20 ? 987 HOH A O 1 HETATM 6626 H H1 . HOH AA 6 . ? 14.166 14.628 11.537 1.00 36.20 ? 987 HOH A H1 1 HETATM 6627 H H2 . HOH AA 6 . ? 13.049 15.494 11.098 1.00 36.20 ? 987 HOH A H2 1 HETATM 6628 O O A HOH AA 6 . ? 42.375 7.078 37.580 0.50 25.38 ? 988 HOH A O 1 HETATM 6629 O O B HOH AA 6 . ? 41.547 6.524 39.110 0.50 26.52 ? 988 HOH A O 1 HETATM 6630 H H1 A HOH AA 6 . ? 41.714 6.491 37.175 0.50 25.38 ? 988 HOH A H1 1 HETATM 6631 H H1 B HOH AA 6 . ? 41.083 6.457 38.261 0.50 26.52 ? 988 HOH A H1 1 HETATM 6632 H H2 A HOH AA 6 . ? 42.723 7.534 36.787 0.50 25.38 ? 988 HOH A H2 1 HETATM 6633 H H2 B HOH AA 6 . ? 40.867 6.160 39.697 0.50 26.52 ? 988 HOH A H2 1 HETATM 6634 O O A HOH AA 6 . ? 42.301 22.695 -4.632 0.50 17.93 ? 989 HOH A O 1 HETATM 6635 O O B HOH AA 6 . ? 43.308 21.447 -4.247 0.50 19.00 ? 989 HOH A O 1 HETATM 6636 H H1 A HOH AA 6 . ? 42.488 22.726 -3.690 0.50 17.93 ? 989 HOH A H1 1 HETATM 6637 H H1 B HOH AA 6 . ? 42.889 21.141 -3.429 0.50 19.00 ? 989 HOH A H1 1 HETATM 6638 H H2 A HOH AA 6 . ? 41.816 23.514 -4.763 0.50 17.93 ? 989 HOH A H2 1 HETATM 6639 H H2 B HOH AA 6 . ? 43.230 22.407 -4.167 0.50 19.00 ? 989 HOH A H2 1 HETATM 6640 O O B HOH AA 6 . ? 66.431 35.665 29.603 0.50 12.52 ? 990 HOH A O 1 HETATM 6641 H H1 B HOH AA 6 . ? 66.903 34.893 29.276 0.50 12.52 ? 990 HOH A H1 1 HETATM 6642 H H2 B HOH AA 6 . ? 67.004 36.405 29.330 0.50 12.52 ? 990 HOH A H2 1 HETATM 6643 O O . HOH AA 6 . ? 51.949 26.293 -5.326 1.00 61.14 ? 991 HOH A O 1 HETATM 6644 H H1 . HOH AA 6 . ? 51.618 27.201 -5.354 1.00 61.14 ? 991 HOH A H1 1 HETATM 6645 H H2 . HOH AA 6 . ? 52.691 26.376 -4.721 1.00 61.14 ? 991 HOH A H2 1 HETATM 6646 O O . HOH AA 6 . ? 42.983 23.408 25.052 1.00 42.71 ? 992 HOH A O 1 HETATM 6647 H H1 . HOH AA 6 . ? 43.880 23.655 24.716 1.00 42.71 ? 992 HOH A H1 1 HETATM 6648 H H2 . HOH AA 6 . ? 43.149 22.510 25.378 1.00 42.71 ? 992 HOH A H2 1 HETATM 6649 O O . HOH AA 6 . ? 56.609 40.539 4.368 1.00 43.08 ? 993 HOH A O 1 HETATM 6650 H H1 . HOH AA 6 . ? 56.714 40.096 5.220 1.00 43.08 ? 993 HOH A H1 1 HETATM 6651 H H2 . HOH AA 6 . ? 57.485 40.415 3.987 1.00 43.08 ? 993 HOH A H2 1 HETATM 6652 O O . HOH AA 6 . ? 14.822 20.785 41.635 1.00 45.63 ? 994 HOH A O 1 HETATM 6653 H H1 . HOH AA 6 . ? 13.918 21.031 41.433 1.00 45.63 ? 994 HOH A H1 1 HETATM 6654 H H2 . HOH AA 6 . ? 15.327 21.047 40.854 1.00 45.63 ? 994 HOH A H2 1 HETATM 6655 O O . HOH AA 6 . ? 59.203 39.054 3.589 1.00 47.11 ? 995 HOH A O 1 HETATM 6656 H H1 . HOH AA 6 . ? 58.621 38.674 2.913 1.00 47.11 ? 995 HOH A H1 1 HETATM 6657 H H2 . HOH AA 6 . ? 58.908 38.608 4.396 1.00 47.11 ? 995 HOH A H2 1 HETATM 6658 O O . HOH AA 6 . ? 25.349 3.461 8.210 1.00 48.34 ? 996 HOH A O 1 HETATM 6659 H H1 . HOH AA 6 . ? 24.596 3.402 8.809 1.00 48.34 ? 996 HOH A H1 1 HETATM 6660 H H2 . HOH AA 6 . ? 24.904 3.825 7.421 1.00 48.34 ? 996 HOH A H2 1 HETATM 6661 O O . HOH AA 6 . ? 12.426 16.672 12.144 1.00 48.62 ? 997 HOH A O 1 HETATM 6662 H H1 . HOH AA 6 . ? 12.899 16.752 12.982 1.00 48.62 ? 997 HOH A H1 1 HETATM 6663 H H2 . HOH AA 6 . ? 11.636 17.192 12.336 1.00 48.62 ? 997 HOH A H2 1 HETATM 6664 O O . HOH AA 6 . ? 22.369 17.404 1.365 1.00 50.77 ? 998 HOH A O 1 HETATM 6665 H H1 . HOH AA 6 . ? 23.185 16.878 1.510 1.00 50.77 ? 998 HOH A H1 1 HETATM 6666 H H2 . HOH AA 6 . ? 22.654 17.966 0.632 1.00 50.77 ? 998 HOH A H2 1 HETATM 6667 O O . HOH AA 6 . ? 74.790 28.909 15.685 1.00 51.22 ? 999 HOH A O 1 HETATM 6668 H H1 . HOH AA 6 . ? 75.295 29.523 16.259 1.00 51.22 ? 999 HOH A H1 1 HETATM 6669 H H2 . HOH AA 6 . ? 75.478 28.690 15.028 1.00 51.22 ? 999 HOH A H2 1 HETATM 6670 O O . HOH AA 6 . ? 58.382 34.511 -0.199 1.00 55.21 ? 1000 HOH A O 1 HETATM 6671 H H1 . HOH AA 6 . ? 59.062 33.833 -0.245 1.00 55.21 ? 1000 HOH A H1 1 HETATM 6672 H H2 . HOH AA 6 . ? 58.164 34.513 0.745 1.00 55.21 ? 1000 HOH A H2 1 HETATM 6673 O O . HOH AA 6 . ? 21.021 -0.199 27.860 1.00 55.36 ? 1001 HOH A O 1 HETATM 6674 H H1 . HOH AA 6 . ? 21.803 -0.581 28.276 1.00 55.36 ? 1001 HOH A H1 1 HETATM 6675 H H2 . HOH AA 6 . ? 20.827 -0.879 27.179 1.00 55.36 ? 1001 HOH A H2 1 HETATM 6676 O O . HOH AA 6 . ? 61.819 30.565 36.629 1.00 55.59 ? 1002 HOH A O 1 HETATM 6677 H H1 . HOH AA 6 . ? 61.409 30.803 35.773 1.00 55.59 ? 1002 HOH A H1 1 HETATM 6678 H H2 . HOH AA 6 . ? 61.448 29.714 36.831 1.00 55.59 ? 1002 HOH A H2 1 HETATM 6679 O O . HOH AA 6 . ? 59.546 14.734 5.563 1.00 57.38 ? 1003 HOH A O 1 HETATM 6680 H H1 . HOH AA 6 . ? 59.648 15.653 5.323 1.00 57.38 ? 1003 HOH A H1 1 HETATM 6681 H H2 . HOH AA 6 . ? 59.607 14.773 6.523 1.00 57.38 ? 1003 HOH A H2 1 HETATM 6682 O O . HOH AA 6 . ? 17.377 23.443 4.400 1.00 57.61 ? 1004 HOH A O 1 HETATM 6683 H H1 . HOH AA 6 . ? 17.799 24.290 4.603 1.00 57.61 ? 1004 HOH A H1 1 HETATM 6684 H H2 . HOH AA 6 . ? 18.140 22.856 4.497 1.00 57.61 ? 1004 HOH A H2 1 HETATM 6685 O O . HOH AA 6 . ? 14.782 18.573 34.552 1.00 57.95 ? 1005 HOH A O 1 HETATM 6686 H H1 . HOH AA 6 . ? 14.725 19.358 34.005 1.00 57.95 ? 1005 HOH A H1 1 HETATM 6687 H H2 . HOH AA 6 . ? 14.655 17.806 33.977 1.00 57.95 ? 1005 HOH A H2 1 HETATM 6688 O O . HOH AA 6 . ? 57.088 12.340 36.026 1.00 58.22 ? 1006 HOH A O 1 HETATM 6689 H H1 . HOH AA 6 . ? 57.610 13.145 35.928 1.00 58.22 ? 1006 HOH A H1 1 HETATM 6690 H H2 . HOH AA 6 . ? 56.301 12.641 36.485 1.00 58.22 ? 1006 HOH A H2 1 HETATM 6691 O O . HOH AA 6 . ? 55.269 -5.924 28.234 1.00 58.41 ? 1007 HOH A O 1 HETATM 6692 H H1 . HOH AA 6 . ? 55.885 -6.267 27.565 1.00 58.41 ? 1007 HOH A H1 1 HETATM 6693 H H2 . HOH AA 6 . ? 55.550 -6.409 29.018 1.00 58.41 ? 1007 HOH A H2 1 HETATM 6694 O O . HOH AA 6 . ? 35.944 44.470 -2.108 1.00 59.13 ? 1008 HOH A O 1 HETATM 6695 H H1 . HOH AA 6 . ? 35.784 43.659 -2.611 1.00 59.13 ? 1008 HOH A H1 1 HETATM 6696 H H2 . HOH AA 6 . ? 35.727 45.180 -2.706 1.00 59.13 ? 1008 HOH A H2 1 HETATM 6697 O O . HOH AA 6 . ? 55.988 -1.054 19.787 1.00 59.75 ? 1009 HOH A O 1 HETATM 6698 H H1 . HOH AA 6 . ? 55.856 -0.616 20.650 1.00 59.75 ? 1009 HOH A H1 1 HETATM 6699 H H2 . HOH AA 6 . ? 56.122 -0.295 19.215 1.00 59.75 ? 1009 HOH A H2 1 HETATM 6700 O O . HOH AA 6 . ? 62.685 17.638 8.377 1.00 60.29 ? 1010 HOH A O 1 HETATM 6701 H H1 . HOH AA 6 . ? 63.407 18.244 8.587 1.00 60.29 ? 1010 HOH A H1 1 HETATM 6702 H H2 . HOH AA 6 . ? 62.287 18.053 7.600 1.00 60.29 ? 1010 HOH A H2 1 HETATM 6703 O O . HOH AA 6 . ? 15.219 13.027 40.728 1.00 60.60 ? 1011 HOH A O 1 HETATM 6704 H H1 . HOH AA 6 . ? 14.847 12.137 40.737 1.00 60.60 ? 1011 HOH A H1 1 HETATM 6705 H H2 . HOH AA 6 . ? 16.026 12.945 41.239 1.00 60.60 ? 1011 HOH A H2 1 HETATM 6706 O O . HOH AA 6 . ? 20.798 14.610 47.302 1.00 61.07 ? 1012 HOH A O 1 HETATM 6707 H H1 . HOH AA 6 . ? 20.704 13.663 47.085 1.00 61.07 ? 1012 HOH A H1 1 HETATM 6708 H H2 . HOH AA 6 . ? 20.295 14.709 48.116 1.00 61.07 ? 1012 HOH A H2 1 HETATM 6709 O O . HOH AA 6 . ? 73.704 14.714 17.006 1.00 61.93 ? 1013 HOH A O 1 HETATM 6710 H H1 . HOH AA 6 . ? 73.075 15.451 17.035 1.00 61.93 ? 1013 HOH A H1 1 HETATM 6711 H H2 . HOH AA 6 . ? 73.200 14.081 16.495 1.00 61.93 ? 1013 HOH A H2 1 HETATM 6712 O O . HOH AA 6 . ? 58.462 38.760 11.633 1.00 62.27 ? 1014 HOH A O 1 HETATM 6713 H H1 . HOH AA 6 . ? 58.364 38.374 10.760 1.00 62.27 ? 1014 HOH A H1 1 HETATM 6714 H H2 . HOH AA 6 . ? 58.041 38.105 12.221 1.00 62.27 ? 1014 HOH A H2 1 HETATM 6715 O O . HOH AA 6 . ? 20.001 -1.464 21.268 1.00 62.46 ? 1015 HOH A O 1 HETATM 6716 H H1 . HOH AA 6 . ? 20.394 -2.256 20.885 1.00 62.46 ? 1015 HOH A H1 1 HETATM 6717 H H2 . HOH AA 6 . ? 19.478 -1.105 20.532 1.00 62.46 ? 1015 HOH A H2 1 HETATM 6718 O O . HOH AA 6 . ? 12.023 18.472 40.714 1.00 62.70 ? 1016 HOH A O 1 HETATM 6719 H H1 . HOH AA 6 . ? 12.963 18.352 40.516 1.00 62.70 ? 1016 HOH A H1 1 HETATM 6720 H H2 . HOH AA 6 . ? 11.845 17.713 41.274 1.00 62.70 ? 1016 HOH A H2 1 HETATM 6721 O O . HOH AA 6 . ? 27.377 31.492 -0.465 1.00 65.94 ? 1017 HOH A O 1 HETATM 6722 H H1 . HOH AA 6 . ? 27.514 30.530 -0.640 1.00 65.94 ? 1017 HOH A H1 1 HETATM 6723 H H2 . HOH AA 6 . ? 27.755 31.898 -1.251 1.00 65.94 ? 1017 HOH A H2 1 HETATM 6724 O O . HOH AA 6 . ? 21.081 -2.365 26.014 1.00 66.33 ? 1018 HOH A O 1 HETATM 6725 H H1 . HOH AA 6 . ? 21.276 -2.411 25.072 1.00 66.33 ? 1018 HOH A H1 1 HETATM 6726 H H2 . HOH AA 6 . ? 21.913 -2.736 26.385 1.00 66.33 ? 1018 HOH A H2 1 HETATM 6727 O O . HOH AA 6 . ? 24.726 18.671 3.145 1.00 66.48 ? 1019 HOH A O 1 HETATM 6728 H H1 . HOH AA 6 . ? 25.534 19.107 3.467 1.00 66.48 ? 1019 HOH A H1 1 HETATM 6729 H H2 . HOH AA 6 . ? 24.325 18.336 3.964 1.00 66.48 ? 1019 HOH A H2 1 HETATM 6730 O O . HOH AA 6 . ? 15.719 18.036 42.911 1.00 66.53 ? 1020 HOH A O 1 HETATM 6731 H H1 . HOH AA 6 . ? 14.954 17.622 43.311 1.00 66.53 ? 1020 HOH A H1 1 HETATM 6732 H H2 . HOH AA 6 . ? 15.718 18.908 43.316 1.00 66.53 ? 1020 HOH A H2 1 HETATM 6733 O O . HOH AA 6 . ? 40.276 42.989 4.672 1.00 66.82 ? 1021 HOH A O 1 HETATM 6734 H H1 . HOH AA 6 . ? 40.285 43.673 4.005 1.00 66.82 ? 1021 HOH A H1 1 HETATM 6735 H H2 . HOH AA 6 . ? 39.469 43.120 5.176 1.00 66.82 ? 1021 HOH A H2 1 HETATM 6736 O O . HOH AA 6 . ? 63.645 35.409 29.597 1.00 67.87 ? 1022 HOH A O 1 HETATM 6737 H H1 . HOH AA 6 . ? 64.290 35.830 29.010 1.00 67.87 ? 1022 HOH A H1 1 HETATM 6738 H H2 . HOH AA 6 . ? 64.267 34.955 30.189 1.00 67.87 ? 1022 HOH A H2 1 HETATM 6739 O O . HOH AA 6 . ? 45.612 20.428 -5.233 1.00 67.88 ? 1023 HOH A O 1 HETATM 6740 H H1 . HOH AA 6 . ? 46.004 21.255 -4.937 1.00 67.88 ? 1023 HOH A H1 1 HETATM 6741 H H2 . HOH AA 6 . ? 44.659 20.619 -5.073 1.00 67.88 ? 1023 HOH A H2 1 HETATM 6742 O O . HOH AA 6 . ? 49.454 27.386 -6.508 1.00 68.40 ? 1024 HOH A O 1 HETATM 6743 H H1 . HOH AA 6 . ? 48.793 26.802 -6.892 1.00 68.40 ? 1024 HOH A H1 1 HETATM 6744 H H2 . HOH AA 6 . ? 49.422 27.215 -5.565 1.00 68.40 ? 1024 HOH A H2 1 HETATM 6745 O O . HOH AA 6 . ? 57.923 18.046 1.360 1.00 68.64 ? 1025 HOH A O 1 HETATM 6746 H H1 . HOH AA 6 . ? 57.694 17.122 1.190 1.00 68.64 ? 1025 HOH A H1 1 HETATM 6747 H H2 . HOH AA 6 . ? 57.874 18.465 0.500 1.00 68.64 ? 1025 HOH A H2 1 HETATM 6748 O O . HOH AA 6 . ? 57.577 3.783 11.003 1.00 70.33 ? 1026 HOH A O 1 HETATM 6749 H H1 . HOH AA 6 . ? 57.808 4.447 11.671 1.00 70.33 ? 1026 HOH A H1 1 HETATM 6750 H H2 . HOH AA 6 . ? 58.045 3.016 11.323 1.00 70.33 ? 1026 HOH A H2 1 HETATM 6751 O O . HOH AA 6 . ? 24.988 42.585 4.521 1.00 70.85 ? 1027 HOH A O 1 HETATM 6752 H H1 . HOH AA 6 . ? 25.952 42.592 4.399 1.00 70.85 ? 1027 HOH A H1 1 HETATM 6753 H H2 . HOH AA 6 . ? 24.679 43.124 3.786 1.00 70.85 ? 1027 HOH A H2 1 HETATM 6754 O O . HOH AA 6 . ? 58.604 9.213 30.234 1.00 71.61 ? 1028 HOH A O 1 HETATM 6755 H H1 . HOH AA 6 . ? 58.126 9.773 29.586 1.00 71.61 ? 1028 HOH A H1 1 HETATM 6756 H H2 . HOH AA 6 . ? 58.582 9.728 31.043 1.00 71.61 ? 1028 HOH A H2 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 1 1 ALA ALA A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 LEU 3 3 3 LEU LEU A . n A 1 4 ASP 4 4 4 ASP ASP A . n A 1 5 SER 5 5 5 SER SER A . n A 1 6 TRP 6 6 6 TRP TRP A . n A 1 7 LEU 7 7 7 LEU LEU A . n A 1 8 SER 8 8 8 SER SER A . n A 1 9 ASN 9 9 9 ASN ASN A . n A 1 10 GLU 10 10 10 GLU GLU A . n A 1 11 ALA 11 11 11 ALA ALA A . n A 1 12 THR 12 12 12 THR THR A . n A 1 13 VAL 13 13 13 VAL VAL A . n A 1 14 ALA 14 14 14 ALA ALA A . n A 1 15 ARG 15 15 15 ARG ARG A . n A 1 16 THR 16 16 16 THR THR A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 ASN 21 21 21 ASN ASN A . n A 1 22 ILE 22 22 22 ILE ILE A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 ASP 25 25 25 ASP ASP A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 TRP 28 28 28 TRP TRP A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 SER 30 30 30 SER SER A . n A 1 31 GLY 31 31 31 GLY GLY A . n A 1 32 ALA 32 32 32 ALA ALA A . n A 1 33 ASP 33 33 33 ASP ASP A . n A 1 34 SER 34 34 34 SER SER A . n A 1 35 GLY 35 35 35 GLY GLY A . n A 1 36 ILE 36 36 36 ILE ILE A . n A 1 37 VAL 37 37 37 VAL VAL A . n A 1 38 VAL 38 38 38 VAL VAL A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 PRO 41 41 41 PRO PRO A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 THR 43 43 43 THR THR A . n A 1 44 ASP 44 44 44 ASP ASP A . n A 1 45 ASN 45 45 45 ASN ASN A . n A 1 46 PRO 46 46 46 PRO PRO A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 TYR 48 48 48 TYR TYR A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 TYR 50 50 50 TYR TYR A . n A 1 51 THR 51 51 51 THR THR A . n A 1 52 TRP 52 52 52 TRP TRP A . n A 1 53 THR 53 53 53 THR THR A . n A 1 54 ARG 54 54 54 ARG ARG A . n A 1 55 ASP 55 55 55 ASP ASP A . n A 1 56 SER 56 56 56 SER SER A . n A 1 57 GLY 57 57 57 GLY GLY A . n A 1 58 LEU 58 58 58 LEU LEU A . n A 1 59 VAL 59 59 59 VAL VAL A . n A 1 60 ILE 60 60 60 ILE ILE A . n A 1 61 LYS 61 61 61 LYS LYS A . n A 1 62 THR 62 62 62 THR THR A . n A 1 63 LEU 63 63 63 LEU LEU A . n A 1 64 VAL 64 64 64 VAL VAL A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 PHE 67 67 67 PHE PHE A . n A 1 68 ARG 68 68 68 ARG ARG A . n A 1 69 ASN 69 69 69 ASN ASN A . n A 1 70 GLY 70 70 70 GLY GLY A . n A 1 71 ASP 71 71 71 ASP ASP A . n A 1 72 THR 72 72 72 THR THR A . n A 1 73 ASP 73 73 73 ASP ASP A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 LEU 75 75 75 LEU LEU A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 THR 77 77 77 THR THR A . n A 1 78 ILE 78 78 78 ILE ILE A . n A 1 79 GLU 79 79 79 GLU GLU A . n A 1 80 HIS 80 80 80 HIS HIS A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 ILE 82 82 82 ILE ILE A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 SER 84 84 84 SER SER A . n A 1 85 GLN 85 85 85 GLN GLN A . n A 1 86 ALA 86 86 86 ALA ALA A . n A 1 87 ILE 87 87 87 ILE ILE A . n A 1 88 ILE 88 88 88 ILE ILE A . n A 1 89 GLN 89 89 89 GLN GLN A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 VAL 91 91 91 VAL VAL A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 ASN 93 93 93 ASN ASN A . n A 1 94 PRO 94 94 94 PRO PRO A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 ASP 97 97 97 ASP ASP A . n A 1 98 LEU 98 98 98 LEU LEU A . n A 1 99 SER 99 99 99 SER SER A . n A 1 100 SER 100 100 100 SER SER A . n A 1 101 GLY 101 101 101 GLY GLY A . n A 1 102 GLY 102 103 103 GLY GLY A . n A 1 103 LEU 103 104 104 LEU LEU A . n A 1 104 GLY 104 105 105 GLY GLY A . n A 1 105 GLU 105 106 106 GLU GLU A . n A 1 106 PRO 106 107 107 PRO PRO A . n A 1 107 LYS 107 108 108 LYS LYS A . n A 1 108 PHE 108 109 109 PHE PHE A . n A 1 109 ASN 109 110 110 ASN ASN A . n A 1 110 VAL 110 111 111 VAL VAL A . n A 1 111 ASP 111 112 112 ASP ASP A . n A 1 112 GLU 112 113 113 GLU GLU A . n A 1 113 THR 113 114 114 THR THR A . n A 1 114 ALA 114 115 115 ALA ALA A . n A 1 115 TYR 115 116 116 TYR TYR A . n A 1 116 THR 116 117 117 THR THR A . n A 1 117 GLY 117 118 118 GLY GLY A . n A 1 118 SER 118 119 119 SER SER A . n A 1 119 TRP 119 120 120 TRP TRP A . n A 1 120 GLY 120 121 121 GLY GLY A . n A 1 121 ARG 121 122 122 ARG ARG A . n A 1 122 PRO 122 123 123 PRO PRO A . n A 1 123 GLN 123 124 124 GLN GLN A . n A 1 124 ARG 124 125 125 ARG ARG A . n A 1 125 ASP 125 126 126 ASP ASP A . n A 1 126 GLY 126 127 127 GLY GLY A . n A 1 127 PRO 127 128 128 PRO PRO A . n A 1 128 ALA 128 129 129 ALA ALA A . n A 1 129 LEU 129 130 130 LEU LEU A . n A 1 130 ARG 130 131 131 ARG ARG A . n A 1 131 ALA 131 132 132 ALA ALA A . n A 1 132 THR 132 133 133 THR THR A . n A 1 133 ALA 133 134 134 ALA ALA A . n A 1 134 MET 134 135 135 MET MET A . n A 1 135 ILE 135 136 136 ILE ILE A . n A 1 136 GLY 136 137 137 GLY GLY A . n A 1 137 PHE 137 138 138 PHE PHE A . n A 1 138 GLY 138 139 139 GLY GLY A . n A 1 139 GLN 139 140 140 GLN GLN A . n A 1 140 TRP 140 141 141 TRP TRP A . n A 1 141 LEU 141 142 142 LEU LEU A . n A 1 142 LEU 142 143 143 LEU LEU A . n A 1 143 ASP 143 144 144 ASP ASP A . n A 1 144 ASN 144 145 145 ASN ASN A . n A 1 145 GLY 145 146 146 GLY GLY A . n A 1 146 TYR 146 147 147 TYR TYR A . n A 1 147 THR 147 148 148 THR THR A . n A 1 148 SER 148 149 149 SER SER A . n A 1 149 ALA 149 150 150 ALA ALA A . n A 1 150 ALA 150 151 151 ALA ALA A . n A 1 151 THR 151 152 152 THR THR A . n A 1 152 GLU 152 153 153 GLU GLU A . n A 1 153 ILE 153 154 154 ILE ILE A . n A 1 154 VAL 154 155 155 VAL VAL A . n A 1 155 TRP 155 156 156 TRP TRP A . n A 1 156 PRO 156 157 157 PRO PRO A . n A 1 157 LEU 157 158 158 LEU LEU A . n A 1 158 VAL 158 159 159 VAL VAL A . n A 1 159 ARG 159 160 160 ARG ARG A . n A 1 160 ASN 160 161 161 ASN ASN A . n A 1 161 ASP 161 162 162 ASP ASP A . n A 1 162 LEU 162 163 163 LEU LEU A . n A 1 163 SER 163 164 164 SER SER A . n A 1 164 TYR 164 165 165 TYR TYR A . n A 1 165 VAL 165 166 166 VAL VAL A . n A 1 166 ALA 166 167 167 ALA ALA A . n A 1 167 GLN 167 168 168 GLN GLN A . n A 1 168 TYR 168 169 169 TYR TYR A . n A 1 169 TRP 169 170 170 TRP TRP A . n A 1 170 ASN 170 171 171 ASN ASN A . n A 1 171 GLN 171 172 172 GLN GLN A . n A 1 172 THR 172 173 173 THR THR A . n A 1 173 GLY 173 174 174 GLY GLY A . n A 1 174 TYR 174 175 175 TYR TYR A . n A 1 175 ASP 175 176 176 ASP ASP A . n A 1 176 LEU 176 177 177 LEU LEU A . n A 1 177 TRP 177 178 178 TRP TRP A . n A 1 178 GLU 178 179 179 GLU GLU A . n A 1 179 GLU 179 180 180 GLU GLU A . n A 1 180 VAL 180 181 181 VAL VAL A . n A 1 181 ASN 181 182 182 ASN ASN A . n A 1 182 GLY 182 183 183 GLY GLY A . n A 1 183 SER 183 184 184 SER SER A . n A 1 184 SER 184 185 185 SER SER A . n A 1 185 PHE 185 186 186 PHE PHE A . n A 1 186 PHE 186 187 187 PHE PHE A . n A 1 187 THR 187 188 188 THR THR A . n A 1 188 ILE 188 189 189 ILE ILE A . n A 1 189 ALA 189 190 190 ALA ALA A . n A 1 190 VAL 190 191 191 VAL VAL A . n A 1 191 GLN 191 192 192 GLN GLN A . n A 1 192 HIS 192 193 193 HIS HIS A . n A 1 193 ARG 193 194 194 ARG ARG A . n A 1 194 ALA 194 195 195 ALA ALA A . n A 1 195 LEU 195 196 196 LEU LEU A . n A 1 196 VAL 196 197 197 VAL VAL A . n A 1 197 GLU 197 198 198 GLU GLU A . n A 1 198 GLY 198 199 199 GLY GLY A . n A 1 199 SER 199 200 200 SER SER A . n A 1 200 ALA 200 201 201 ALA ALA A . n A 1 201 PHE 201 202 202 PHE PHE A . n A 1 202 ALA 202 203 203 ALA ALA A . n A 1 203 THR 203 204 204 THR THR A . n A 1 204 ALA 204 205 205 ALA ALA A . n A 1 205 VAL 205 206 206 VAL VAL A . n A 1 206 GLY 206 207 207 GLY GLY A . n A 1 207 SER 207 208 208 SER SER A . n A 1 208 SER 208 209 209 SER SER A . n A 1 209 CYS 209 210 210 CYS CYS A . n A 1 210 SER 210 211 211 SER SER A . n A 1 211 TRP 211 212 212 TRP TRP A . n A 1 212 CYS 212 213 213 CYS CYS A . n A 1 213 ASP 213 214 214 ASP ASP A . n A 1 214 SER 214 215 215 SER SER A . n A 1 215 GLN 215 216 216 GLN GLN A . n A 1 216 ALA 216 217 217 ALA ALA A . n A 1 217 PRO 217 218 218 PRO PRO A . n A 1 218 GLN 218 219 219 GLN GLN A . n A 1 219 ILE 219 220 220 ILE ILE A . n A 1 220 LEU 220 221 221 LEU LEU A . n A 1 221 CYS 221 222 222 CYS CYS A . n A 1 222 TYR 222 223 223 TYR TYR A . n A 1 223 LEU 223 224 224 LEU LEU A . n A 1 224 GLN 224 225 225 GLN GLN A . n A 1 225 SER 225 226 226 SER SER A . n A 1 226 PHE 226 227 227 PHE PHE A . n A 1 227 TRP 227 228 228 TRP TRP A . n A 1 228 THR 228 229 229 THR THR A . n A 1 229 GLY 229 230 230 GLY GLY A . n A 1 230 SER 230 231 231 SER SER A . n A 1 231 TYR 231 232 232 TYR TYR A . n A 1 232 ILE 232 233 233 ILE ILE A . n A 1 233 LEU 233 234 234 LEU LEU A . n A 1 234 ALA 234 235 235 ALA ALA A . n A 1 235 ASN 235 236 236 ASN ASN A . n A 1 236 PHE 236 237 237 PHE PHE A . n A 1 237 ASP 237 238 238 ASP ASP A . n A 1 238 SER 238 239 239 SER SER A . n A 1 239 SER 239 240 240 SER SER A . n A 1 240 ARG 240 241 241 ARG ARG A . n A 1 241 SER 241 242 242 SER SER A . n A 1 242 GLY 242 243 243 GLY GLY A . n A 1 243 LYS 243 244 244 LYS LYS A . n A 1 244 ASP 244 245 245 ASP ASP A . n A 1 245 THR 245 246 246 THR THR A . n A 1 246 ASN 246 247 247 ASN ASN A . n A 1 247 THR 247 248 248 THR THR A . n A 1 248 LEU 248 249 249 LEU LEU A . n A 1 249 LEU 249 250 250 LEU LEU A . n A 1 250 GLY 250 251 251 GLY GLY A . n A 1 251 SER 251 252 252 SER SER A . n A 1 252 ILE 252 253 253 ILE ILE A . n A 1 253 HIS 253 254 254 HIS HIS A . n A 1 254 THR 254 255 255 THR THR A . n A 1 255 PHE 255 256 256 PHE PHE A . n A 1 256 ASP 256 257 257 ASP ASP A . n A 1 257 PRO 257 258 258 PRO PRO A . n A 1 258 GLU 258 259 259 GLU GLU A . n A 1 259 ALA 259 260 260 ALA ALA A . n A 1 260 GLY 260 261 261 GLY GLY A . n A 1 261 CYS 261 262 262 CYS CYS A . n A 1 262 ASP 262 263 263 ASP ASP A . n A 1 263 ASP 263 264 264 ASP ASP A . n A 1 264 SER 264 265 265 SER SER A . n A 1 265 THR 265 266 266 THR THR A . n A 1 266 PHE 266 267 267 PHE PHE A . n A 1 267 GLN 267 268 268 GLN GLN A . n A 1 268 PRO 268 269 269 PRO PRO A . n A 1 269 CYS 269 270 270 CYS CYS A . n A 1 270 SER 270 271 271 SER SER A . n A 1 271 PRO 271 272 272 PRO PRO A . n A 1 272 ARG 272 273 273 ARG ARG A . n A 1 273 ALA 273 274 274 ALA ALA A . n A 1 274 LEU 274 275 275 LEU LEU A . n A 1 275 ALA 275 276 276 ALA ALA A . n A 1 276 ASN 276 277 277 ASN ASN A . n A 1 277 HIS 277 278 278 HIS HIS A . n A 1 278 LYS 278 279 279 LYS LYS A . n A 1 279 GLU 279 280 280 GLU GLU A . n A 1 280 VAL 280 281 281 VAL VAL A . n A 1 281 VAL 281 282 282 VAL VAL A . n A 1 282 ASP 282 283 283 ASP ASP A . n A 1 283 SER 283 284 284 SER SER A . n A 1 284 PHE 284 285 285 PHE PHE A . n A 1 285 ARG 285 286 286 ARG ARG A . n A 1 286 SER 286 287 287 SER SER A . n A 1 287 ILE 287 288 288 ILE ILE A . n A 1 288 TYR 288 289 289 TYR TYR A . n A 1 289 THR 289 290 290 THR THR A . n A 1 290 LEU 290 291 291 LEU LEU A . n A 1 291 ASN 291 292 292 ASN ASN A . n A 1 292 ASP 292 293 293 ASP ASP A . n A 1 293 GLY 293 294 294 GLY GLY A . n A 1 294 LEU 294 295 295 LEU LEU A . n A 1 295 SER 295 296 296 SER SER A . n A 1 296 ASP 296 297 297 ASP ASP A . n A 1 297 SER 297 298 298 SER SER A . n A 1 298 GLU 298 299 299 GLU GLU A . n A 1 299 ALA 299 300 300 ALA ALA A . n A 1 300 VAL 300 301 301 VAL VAL A . n A 1 301 ALA 301 302 302 ALA ALA A . n A 1 302 VAL 302 303 303 VAL VAL A . n A 1 303 GLY 303 304 304 GLY GLY A . n A 1 304 ARG 304 305 305 ARG ARG A . n A 1 305 TYR 305 306 306 TYR TYR A . n A 1 306 PRO 306 307 307 PRO PRO A . n A 1 307 GLU 307 308 308 GLU GLU A . n A 1 308 ASP 308 309 309 ASP ASP A . n A 1 309 SER 309 310 310 SER SER A . n A 1 310 TYR 310 311 311 TYR TYR A . n A 1 311 TYR 311 312 312 TYR TYR A . n A 1 312 ASN 312 313 313 ASN ASN A . n A 1 313 GLY 313 314 314 GLY GLY A . n A 1 314 ASN 314 315 315 ASN ASN A . n A 1 315 PRO 315 316 316 PRO PRO A . n A 1 316 TRP 316 317 317 TRP TRP A . n A 1 317 PHE 317 318 318 PHE PHE A . n A 1 318 LEU 318 319 319 LEU LEU A . n A 1 319 CYS 319 320 320 CYS CYS A . n A 1 320 THR 320 321 321 THR THR A . n A 1 321 LEU 321 322 322 LEU LEU A . n A 1 322 ALA 322 323 323 ALA ALA A . n A 1 323 ALA 323 324 324 ALA ALA A . n A 1 324 ALA 324 325 325 ALA ALA A . n A 1 325 GLU 325 326 326 GLU GLU A . n A 1 326 GLN 326 327 327 GLN GLN A . n A 1 327 LEU 327 328 328 LEU LEU A . n A 1 328 TYR 328 329 329 TYR TYR A . n A 1 329 ASP 329 330 330 ASP ASP A . n A 1 330 ALA 330 331 331 ALA ALA A . n A 1 331 LEU 331 332 332 LEU LEU A . n A 1 332 TYR 332 333 333 TYR TYR A . n A 1 333 GLN 333 334 334 GLN GLN A . n A 1 334 TRP 334 335 335 TRP TRP A . n A 1 335 ASP 335 336 336 ASP ASP A . n A 1 336 LYS 336 337 337 LYS LYS A . n A 1 337 GLN 337 338 338 GLN GLN A . n A 1 338 GLY 338 339 339 GLY GLY A . n A 1 339 SER 339 340 340 SER SER A . n A 1 340 LEU 340 341 341 LEU LEU A . n A 1 341 GLU 341 342 342 GLU GLU A . n A 1 342 ILE 342 343 343 ILE ILE A . n A 1 343 THR 343 344 344 THR THR A . n A 1 344 ASP 344 345 345 ASP ASP A . n A 1 345 VAL 345 346 346 VAL VAL A . n A 1 346 SER 346 347 347 SER SER A . n A 1 347 LEU 347 348 348 LEU LEU A . n A 1 348 ASP 348 349 349 ASP ASP A . n A 1 349 PHE 349 350 350 PHE PHE A . n A 1 350 PHE 350 351 351 PHE PHE A . n A 1 351 LYS 351 352 352 LYS LYS A . n A 1 352 ALA 352 353 353 ALA ALA A . n A 1 353 LEU 353 354 354 LEU LEU A . n A 1 354 TYR 354 355 355 TYR TYR A . n A 1 355 SER 355 356 356 SER SER A . n A 1 356 GLY 356 357 357 GLY GLY A . n A 1 357 ALA 357 358 358 ALA ALA A . n A 1 358 ALA 358 359 359 ALA ALA A . n A 1 359 THR 359 360 360 THR THR A . n A 1 360 GLY 360 361 361 GLY GLY A . n A 1 361 THR 361 362 362 THR THR A . n A 1 362 TYR 362 363 363 TYR TYR A . n A 1 363 SER 363 364 364 SER SER A . n A 1 364 SER 364 365 365 SER SER A . n A 1 365 SER 365 366 366 SER SER A . n A 1 366 SER 366 367 367 SER SER A . n A 1 367 SER 367 368 368 SER SER A . n A 1 368 THR 368 369 369 THR THR A . n A 1 369 TYR 369 370 370 TYR TYR A . n A 1 370 SER 370 371 371 SER SER A . n A 1 371 SER 371 372 372 SER SER A . n A 1 372 ILE 372 373 373 ILE ILE A . n A 1 373 VAL 373 374 374 VAL VAL A . n A 1 374 SER 374 375 375 SER SER A . n A 1 375 ALA 375 376 376 ALA ALA A . n A 1 376 VAL 376 377 377 VAL VAL A . n A 1 377 LYS 377 378 378 LYS LYS A . n A 1 378 THR 378 379 379 THR THR A . n A 1 379 PHE 379 380 380 PHE PHE A . n A 1 380 ALA 380 381 381 ALA ALA A . n A 1 381 ASP 381 382 382 ASP ASP A . n A 1 382 GLY 382 383 383 GLY GLY A . n A 1 383 PHE 383 384 384 PHE PHE A . n A 1 384 VAL 384 385 385 VAL VAL A . n A 1 385 SER 385 386 386 SER SER A . n A 1 386 ILE 386 387 387 ILE ILE A . n A 1 387 VAL 387 388 388 VAL VAL A . n A 1 388 GLU 388 389 389 GLU GLU A . n A 1 389 THR 389 390 390 THR THR A . n A 1 390 HIS 390 391 391 HIS HIS A . n A 1 391 ALA 391 392 392 ALA ALA A . n A 1 392 ALA 392 393 393 ALA ALA A . n A 1 393 SER 393 394 394 SER SER A . n A 1 394 ASN 394 395 395 ASN ASN A . n A 1 395 GLY 395 396 396 GLY GLY A . n A 1 396 SER 396 397 397 SER SER A . n A 1 397 LEU 397 398 398 LEU LEU A . n A 1 398 SER 398 399 399 SER SER A . n A 1 399 GLU 399 400 400 GLU GLU A . n A 1 400 GLN 400 401 401 GLN GLN A . n A 1 401 PHE 401 402 402 PHE PHE A . n A 1 402 ASP 402 403 403 ASP ASP A . n A 1 403 LYS 403 404 404 LYS LYS A . n A 1 404 SER 404 405 405 SER SER A . n A 1 405 ASP 405 406 406 ASP ASP A . n A 1 406 GLY 406 407 407 GLY GLY A . n A 1 407 ASP 407 408 408 ASP ASP A . n A 1 408 GLU 408 409 409 GLU GLU A . n A 1 409 LEU 409 410 410 LEU LEU A . n A 1 410 SER 410 411 411 SER SER A . n A 1 411 ALA 411 412 412 ALA ALA A . n A 1 412 ARG 412 413 413 ARG ARG A . n A 1 413 ASP 413 414 414 ASP ASP A . n A 1 414 LEU 414 415 415 LEU LEU A . n A 1 415 THR 415 416 416 THR THR A . n A 1 416 TRP 416 417 417 TRP TRP A . n A 1 417 SER 417 418 418 SER SER A . n A 1 418 TYR 418 419 419 TYR TYR A . n A 1 419 ALA 419 420 420 ALA ALA A . n A 1 420 ALA 420 421 421 ALA ALA A . n A 1 421 LEU 421 422 422 LEU LEU A . n A 1 422 LEU 422 423 423 LEU LEU A . n A 1 423 THR 423 424 424 THR THR A . n A 1 424 ALA 424 425 425 ALA ALA A . n A 1 425 ASN 425 426 426 ASN ASN A . n A 1 426 ASN 426 427 427 ASN ASN A . n A 1 427 ARG 427 428 428 ARG ARG A . n A 1 428 ARG 428 429 429 ARG ARG A . n A 1 429 ASN 429 430 430 ASN ASN A . n A 1 430 SER 430 431 431 SER SER A . n A 1 431 VAL 431 432 432 VAL VAL A . n A 1 432 VAL 432 433 433 VAL VAL A . n A 1 433 PRO 433 434 434 PRO PRO A . n A 1 434 PRO 434 435 435 PRO PRO A . n A 1 435 SER 435 436 436 SER SER A . n A 1 436 TRP 436 437 437 TRP TRP A . n A 1 437 GLY 437 438 438 GLY GLY A . n A 1 438 GLU 438 439 439 GLU GLU A . n A 1 439 THR 439 440 440 THR THR A . n A 1 440 SER 440 441 441 SER SER A . n A 1 441 ALA 441 442 442 ALA ALA A . n A 1 442 SER 442 443 443 SER SER A . n A 1 443 SER 443 444 444 SER SER A . n A 1 444 VAL 444 445 445 VAL VAL A . n A 1 445 PRO 445 446 446 PRO PRO A . n A 1 446 GLY 446 447 447 GLY GLY A . n A 1 447 THR 447 448 448 THR THR A . n A 1 448 CYS 448 449 449 CYS CYS A . n A 1 449 ALA 449 450 450 ALA ALA A . n A 1 450 ALA 450 451 451 ALA ALA A . n A 1 451 THR 451 452 452 THR THR A . n A 1 452 SER 452 453 453 SER SER A . n A 1 453 ALA 453 454 454 ALA ALA A . n A 1 454 SER 454 455 455 SER SER A . n A 1 455 GLY 455 456 456 GLY GLY A . n A 1 456 THR 456 457 457 THR THR A . n A 1 457 TYR 457 458 458 TYR TYR A . n A 1 458 SER 458 459 459 SER SER A . n A 1 459 SER 459 460 460 SER SER A . n A 1 460 VAL 460 461 461 VAL VAL A . n A 1 461 THR 461 462 462 THR THR A . n A 1 462 VAL 462 463 463 VAL VAL A . n A 1 463 THR 463 464 464 THR THR A . n A 1 464 SER 464 465 465 SER SER A . n A 1 465 TRP 465 466 466 TRP TRP A . n A 1 466 PRO 466 467 467 PRO PRO A . n A 1 467 SER 467 468 468 SER SER A . n A 1 468 ILE 468 469 469 ILE ILE A . n A 1 469 VAL 469 470 470 VAL VAL A . n A 1 470 ALA 470 471 471 ALA ALA A . n A 1 471 THR 471 472 472 THR THR 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 MAN 1 473 452 MAN MAN A . C 2 MAN 1 474 455 MAN MAN A . D 2 MAN 1 475 443 MAN MAN A . E 2 MAN 1 476 444 MAN MAN A . F 2 MAN 1 477 453 MAN MAN A . G 2 MAN 1 478 457 MAN MAN A . H 2 MAN 1 479 459 MAN MAN A . I 2 MAN 1 480 460 MAN MAN A . J 2 MAN 1 481 462 MAN MAN A . K 2 MAN 1 482 464 MAN MAN A . L 3 NAG 1 483 171 NAG NAG A . M 3 NAG 2 484 172 NAG NAG A . N 4 BMA 3 485 173 BMA GLC A . O 2 MAN 4 486 174 MAN GLC A . P 2 MAN 5 487 175 MAN GLC A . Q 3 NAG 1 488 395 NAG NAG A . R 3 NAG 2 489 396 NAG NAG A . S 4 BMA 3 490 397 BMA GLC A . T 2 MAN 4 491 398 MAN GLC A . U 2 MAN 5 492 399 MAN GLC A . V 2 MAN 6 493 400 MAN GLC A . W 2 MAN 7 494 401 MAN GLC A . X 2 MAN 8 495 402 MAN GLC A . Y 2 MAN 9 496 403 MAN GLC A . Z 5 ACR 1 497 495 ACR ACR A . AA 6 HOH 1 498 500 HOH HOH A . AA 6 HOH 2 499 501 HOH HOH A . AA 6 HOH 3 500 502 HOH HOH A . AA 6 HOH 4 501 503 HOH HOH A . AA 6 HOH 5 502 504 HOH HOH A . AA 6 HOH 6 503 505 HOH HOH A . AA 6 HOH 7 504 506 HOH HOH A . AA 6 HOH 8 505 507 HOH HOH A . AA 6 HOH 9 506 508 HOH HOH A . AA 6 HOH 10 507 509 HOH HOH A . AA 6 HOH 11 508 510 HOH HOH A . AA 6 HOH 12 509 511 HOH HOH A . AA 6 HOH 13 510 512 HOH HOH A . AA 6 HOH 14 511 513 HOH HOH A . AA 6 HOH 15 512 514 HOH HOH A . AA 6 HOH 16 513 515 HOH HOH A . AA 6 HOH 17 514 516 HOH HOH A . AA 6 HOH 18 515 517 HOH HOH A . AA 6 HOH 19 516 518 HOH HOH A . AA 6 HOH 20 517 519 HOH HOH A . AA 6 HOH 21 518 520 HOH HOH A . AA 6 HOH 22 519 521 HOH HOH A . AA 6 HOH 23 520 522 HOH HOH A . AA 6 HOH 24 521 523 HOH HOH A . AA 6 HOH 25 522 524 HOH HOH A . AA 6 HOH 26 523 525 HOH HOH A . AA 6 HOH 27 524 526 HOH HOH A . AA 6 HOH 28 525 527 HOH HOH A . AA 6 HOH 29 526 528 HOH HOH A . AA 6 HOH 30 527 529 HOH HOH A . AA 6 HOH 31 528 530 HOH HOH A . AA 6 HOH 32 529 531 HOH HOH A . AA 6 HOH 33 530 532 HOH HOH A . AA 6 HOH 34 531 533 HOH HOH A . AA 6 HOH 35 532 534 HOH HOH A . AA 6 HOH 36 533 535 HOH HOH A . AA 6 HOH 37 534 536 HOH HOH A . AA 6 HOH 38 535 537 HOH HOH A . AA 6 HOH 39 536 538 HOH HOH A . AA 6 HOH 40 537 539 HOH HOH A . AA 6 HOH 41 538 540 HOH HOH A . AA 6 HOH 42 539 541 HOH HOH A . AA 6 HOH 43 540 542 HOH HOH A . AA 6 HOH 44 541 543 HOH HOH A . AA 6 HOH 45 542 544 HOH HOH A . AA 6 HOH 46 543 545 HOH HOH A . AA 6 HOH 47 544 546 HOH HOH A . AA 6 HOH 48 545 547 HOH HOH A . AA 6 HOH 49 546 548 HOH HOH A . AA 6 HOH 50 547 549 HOH HOH A . AA 6 HOH 51 548 550 HOH HOH A . AA 6 HOH 52 549 551 HOH HOH A . AA 6 HOH 53 550 552 HOH HOH A . AA 6 HOH 54 551 553 HOH HOH A . AA 6 HOH 55 552 554 HOH HOH A . AA 6 HOH 56 553 555 HOH HOH A . AA 6 HOH 57 554 556 HOH HOH A . AA 6 HOH 58 555 557 HOH HOH A . AA 6 HOH 59 556 558 HOH HOH A . AA 6 HOH 60 557 559 HOH HOH A . AA 6 HOH 61 558 560 HOH HOH A . AA 6 HOH 62 559 561 HOH HOH A . AA 6 HOH 63 560 562 HOH HOH A . AA 6 HOH 64 561 563 HOH HOH A . AA 6 HOH 65 562 564 HOH HOH A . AA 6 HOH 66 563 565 HOH HOH A . AA 6 HOH 67 564 566 HOH HOH A . AA 6 HOH 68 565 567 HOH HOH A . AA 6 HOH 69 566 568 HOH HOH A . AA 6 HOH 70 567 569 HOH HOH A . AA 6 HOH 71 568 570 HOH HOH A . AA 6 HOH 72 569 571 HOH HOH A . AA 6 HOH 73 570 572 HOH HOH A . AA 6 HOH 74 571 573 HOH HOH A . AA 6 HOH 75 572 574 HOH HOH A . AA 6 HOH 76 573 575 HOH HOH A . AA 6 HOH 77 574 576 HOH HOH A . AA 6 HOH 78 575 577 HOH HOH A . AA 6 HOH 79 576 578 HOH HOH A . AA 6 HOH 80 577 579 HOH HOH A . AA 6 HOH 81 578 580 HOH HOH A . AA 6 HOH 82 579 581 HOH HOH A . AA 6 HOH 83 580 582 HOH HOH A . AA 6 HOH 84 581 583 HOH HOH A . AA 6 HOH 85 582 584 HOH HOH A . AA 6 HOH 86 583 585 HOH HOH A . AA 6 HOH 87 584 586 HOH HOH A . AA 6 HOH 88 585 587 HOH HOH A . AA 6 HOH 89 586 588 HOH HOH A . AA 6 HOH 90 587 589 HOH HOH A . AA 6 HOH 91 588 590 HOH HOH A . AA 6 HOH 92 589 591 HOH HOH A . AA 6 HOH 93 590 592 HOH HOH A . AA 6 HOH 94 591 593 HOH HOH A . AA 6 HOH 95 592 594 HOH HOH A . AA 6 HOH 96 593 595 HOH HOH A . AA 6 HOH 97 594 596 HOH HOH A . AA 6 HOH 98 595 597 HOH HOH A . AA 6 HOH 99 596 598 HOH HOH A . AA 6 HOH 100 597 599 HOH HOH A . AA 6 HOH 101 598 600 HOH HOH A . AA 6 HOH 102 599 601 HOH HOH A . AA 6 HOH 103 600 602 HOH HOH A . AA 6 HOH 104 601 603 HOH HOH A . AA 6 HOH 105 602 604 HOH HOH A . AA 6 HOH 106 603 605 HOH HOH A . AA 6 HOH 107 604 606 HOH HOH A . AA 6 HOH 108 605 607 HOH HOH A . AA 6 HOH 109 606 608 HOH HOH A . AA 6 HOH 110 607 609 HOH HOH A . AA 6 HOH 111 608 610 HOH HOH A . AA 6 HOH 112 609 611 HOH HOH A . AA 6 HOH 113 610 612 HOH HOH A . AA 6 HOH 114 611 613 HOH HOH A . AA 6 HOH 115 612 614 HOH HOH A . AA 6 HOH 116 613 615 HOH HOH A . AA 6 HOH 117 614 616 HOH HOH A . AA 6 HOH 118 615 617 HOH HOH A . AA 6 HOH 119 616 618 HOH HOH A . AA 6 HOH 120 617 619 HOH HOH A . AA 6 HOH 121 618 620 HOH HOH A . AA 6 HOH 122 619 621 HOH HOH A . AA 6 HOH 123 620 622 HOH HOH A . AA 6 HOH 124 621 623 HOH HOH A . AA 6 HOH 125 622 624 HOH HOH A . AA 6 HOH 126 623 625 HOH HOH A . AA 6 HOH 127 624 626 HOH HOH A . AA 6 HOH 128 625 627 HOH HOH A . AA 6 HOH 129 626 628 HOH HOH A . AA 6 HOH 130 627 629 HOH HOH A . AA 6 HOH 131 628 630 HOH HOH A . AA 6 HOH 132 629 631 HOH HOH A . AA 6 HOH 133 630 632 HOH HOH A . AA 6 HOH 134 631 633 HOH HOH A . AA 6 HOH 135 632 634 HOH HOH A . AA 6 HOH 136 633 635 HOH HOH A . AA 6 HOH 137 634 636 HOH HOH A . AA 6 HOH 138 635 637 HOH HOH A . AA 6 HOH 139 636 638 HOH HOH A . AA 6 HOH 140 637 639 HOH HOH A . AA 6 HOH 141 638 640 HOH HOH A . AA 6 HOH 142 639 641 HOH HOH A . AA 6 HOH 143 640 642 HOH HOH A . AA 6 HOH 144 641 643 HOH HOH A . AA 6 HOH 145 642 644 HOH HOH A . AA 6 HOH 146 643 645 HOH HOH A . AA 6 HOH 147 644 646 HOH HOH A . AA 6 HOH 148 645 647 HOH HOH A . AA 6 HOH 149 646 648 HOH HOH A . AA 6 HOH 150 647 649 HOH HOH A . AA 6 HOH 151 648 650 HOH HOH A . AA 6 HOH 152 649 651 HOH HOH A . AA 6 HOH 153 650 652 HOH HOH A . AA 6 HOH 154 651 653 HOH HOH A . AA 6 HOH 155 652 654 HOH HOH A . AA 6 HOH 156 653 655 HOH HOH A . AA 6 HOH 157 654 656 HOH HOH A . AA 6 HOH 158 655 657 HOH HOH A . AA 6 HOH 159 656 658 HOH HOH A . AA 6 HOH 160 657 659 HOH HOH A . AA 6 HOH 161 658 660 HOH HOH A . AA 6 HOH 162 659 661 HOH HOH A . AA 6 HOH 163 660 662 HOH HOH A . AA 6 HOH 164 661 663 HOH HOH A . AA 6 HOH 165 662 664 HOH HOH A . AA 6 HOH 166 663 665 HOH HOH A . AA 6 HOH 167 664 666 HOH HOH A . AA 6 HOH 168 665 667 HOH HOH A . AA 6 HOH 169 666 668 HOH HOH A . AA 6 HOH 170 667 669 HOH HOH A . AA 6 HOH 171 668 670 HOH HOH A . AA 6 HOH 172 669 671 HOH HOH A . AA 6 HOH 173 670 672 HOH HOH A . AA 6 HOH 174 671 673 HOH HOH A . AA 6 HOH 175 672 674 HOH HOH A . AA 6 HOH 176 673 675 HOH HOH A . AA 6 HOH 177 674 676 HOH HOH A . AA 6 HOH 178 675 677 HOH HOH A . AA 6 HOH 179 676 678 HOH HOH A . AA 6 HOH 180 677 679 HOH HOH A . AA 6 HOH 181 678 680 HOH HOH A . AA 6 HOH 182 679 681 HOH HOH A . AA 6 HOH 183 680 682 HOH HOH A . AA 6 HOH 184 681 683 HOH HOH A . AA 6 HOH 185 682 684 HOH HOH A . AA 6 HOH 186 683 685 HOH HOH A . AA 6 HOH 187 684 686 HOH HOH A . AA 6 HOH 188 685 687 HOH HOH A . AA 6 HOH 189 686 688 HOH HOH A . AA 6 HOH 190 687 689 HOH HOH A . AA 6 HOH 191 688 690 HOH HOH A . AA 6 HOH 192 689 691 HOH HOH A . AA 6 HOH 193 690 692 HOH HOH A . AA 6 HOH 194 691 693 HOH HOH A . AA 6 HOH 195 692 694 HOH HOH A . AA 6 HOH 196 693 695 HOH HOH A . AA 6 HOH 197 694 696 HOH HOH A . AA 6 HOH 198 695 697 HOH HOH A . AA 6 HOH 199 696 698 HOH HOH A . AA 6 HOH 200 697 699 HOH HOH A . AA 6 HOH 201 698 700 HOH HOH A . AA 6 HOH 202 699 701 HOH HOH A . AA 6 HOH 203 700 702 HOH HOH A . AA 6 HOH 204 701 703 HOH HOH A . AA 6 HOH 205 702 704 HOH HOH A . AA 6 HOH 206 703 705 HOH HOH A . AA 6 HOH 207 704 706 HOH HOH A . AA 6 HOH 208 705 707 HOH HOH A . AA 6 HOH 209 706 708 HOH HOH A . AA 6 HOH 210 707 709 HOH HOH A . AA 6 HOH 211 708 710 HOH HOH A . AA 6 HOH 212 709 711 HOH HOH A . AA 6 HOH 213 710 712 HOH HOH A . AA 6 HOH 214 711 713 HOH HOH A . AA 6 HOH 215 712 714 HOH HOH A . AA 6 HOH 216 713 715 HOH HOH A . AA 6 HOH 217 714 716 HOH HOH A . AA 6 HOH 218 715 717 HOH HOH A . AA 6 HOH 219 716 718 HOH HOH A . AA 6 HOH 220 717 719 HOH HOH A . AA 6 HOH 221 718 720 HOH HOH A . AA 6 HOH 222 719 721 HOH HOH A . AA 6 HOH 223 720 722 HOH HOH A . AA 6 HOH 224 721 723 HOH HOH A . AA 6 HOH 225 722 724 HOH HOH A . AA 6 HOH 226 723 725 HOH HOH A . AA 6 HOH 227 724 726 HOH HOH A . AA 6 HOH 228 725 727 HOH HOH A . AA 6 HOH 229 726 728 HOH HOH A . AA 6 HOH 230 727 729 HOH HOH A . AA 6 HOH 231 728 730 HOH HOH A . AA 6 HOH 232 729 731 HOH HOH A . AA 6 HOH 233 730 732 HOH HOH A . AA 6 HOH 234 731 733 HOH HOH A . AA 6 HOH 235 732 734 HOH HOH A . AA 6 HOH 236 733 735 HOH HOH A . AA 6 HOH 237 734 736 HOH HOH A . AA 6 HOH 238 735 737 HOH HOH A . AA 6 HOH 239 736 738 HOH HOH A . AA 6 HOH 240 737 739 HOH HOH A . AA 6 HOH 241 738 740 HOH HOH A . AA 6 HOH 242 739 741 HOH HOH A . AA 6 HOH 243 740 742 HOH HOH A . AA 6 HOH 244 741 743 HOH HOH A . AA 6 HOH 245 742 744 HOH HOH A . AA 6 HOH 246 743 745 HOH HOH A . AA 6 HOH 247 744 746 HOH HOH A . AA 6 HOH 248 745 747 HOH HOH A . AA 6 HOH 249 746 748 HOH HOH A . AA 6 HOH 250 747 749 HOH HOH A . AA 6 HOH 251 748 750 HOH HOH A . AA 6 HOH 252 749 751 HOH HOH A . AA 6 HOH 253 750 752 HOH HOH A . AA 6 HOH 254 751 753 HOH HOH A . AA 6 HOH 255 752 754 HOH HOH A . AA 6 HOH 256 753 755 HOH HOH A . AA 6 HOH 257 754 756 HOH HOH A . AA 6 HOH 258 755 757 HOH HOH A . AA 6 HOH 259 756 758 HOH HOH A . AA 6 HOH 260 757 759 HOH HOH A . AA 6 HOH 261 758 760 HOH HOH A . AA 6 HOH 262 759 761 HOH HOH A . AA 6 HOH 263 760 762 HOH HOH A . AA 6 HOH 264 761 763 HOH HOH A . AA 6 HOH 265 762 764 HOH HOH A . AA 6 HOH 266 763 765 HOH HOH A . AA 6 HOH 267 764 766 HOH HOH A . AA 6 HOH 268 765 767 HOH HOH A . AA 6 HOH 269 766 768 HOH HOH A . AA 6 HOH 270 767 769 HOH HOH A . AA 6 HOH 271 768 770 HOH HOH A . AA 6 HOH 272 769 771 HOH HOH A . AA 6 HOH 273 770 772 HOH HOH A . AA 6 HOH 274 771 773 HOH HOH A . AA 6 HOH 275 772 774 HOH HOH A . AA 6 HOH 276 773 775 HOH HOH A . AA 6 HOH 277 774 776 HOH HOH A . AA 6 HOH 278 775 777 HOH HOH A . AA 6 HOH 279 776 778 HOH HOH A . AA 6 HOH 280 777 779 HOH HOH A . AA 6 HOH 281 778 780 HOH HOH A . AA 6 HOH 282 779 781 HOH HOH A . AA 6 HOH 283 780 783 HOH HOH A . AA 6 HOH 284 781 784 HOH HOH A . AA 6 HOH 285 782 785 HOH HOH A . AA 6 HOH 286 783 786 HOH HOH A . AA 6 HOH 287 784 787 HOH HOH A . AA 6 HOH 288 785 788 HOH HOH A . AA 6 HOH 289 786 789 HOH HOH A . AA 6 HOH 290 787 790 HOH HOH A . AA 6 HOH 291 788 791 HOH HOH A . AA 6 HOH 292 789 792 HOH HOH A . AA 6 HOH 293 790 793 HOH HOH A . AA 6 HOH 294 791 794 HOH HOH A . AA 6 HOH 295 792 795 HOH HOH A . AA 6 HOH 296 793 796 HOH HOH A . AA 6 HOH 297 794 797 HOH HOH A . AA 6 HOH 298 795 798 HOH HOH A . AA 6 HOH 299 796 799 HOH HOH A . AA 6 HOH 300 797 800 HOH HOH A . AA 6 HOH 301 798 801 HOH HOH A . AA 6 HOH 302 799 802 HOH HOH A . AA 6 HOH 303 800 803 HOH HOH A . AA 6 HOH 304 801 804 HOH HOH A . AA 6 HOH 305 802 805 HOH HOH A . AA 6 HOH 306 803 806 HOH HOH A . AA 6 HOH 307 804 807 HOH HOH A . AA 6 HOH 308 805 808 HOH HOH A . AA 6 HOH 309 806 809 HOH HOH A . AA 6 HOH 310 807 810 HOH HOH A . AA 6 HOH 311 808 811 HOH HOH A . AA 6 HOH 312 809 812 HOH HOH A . AA 6 HOH 313 810 813 HOH HOH A . AA 6 HOH 314 811 814 HOH HOH A . AA 6 HOH 315 812 815 HOH HOH A . AA 6 HOH 316 813 816 HOH HOH A . AA 6 HOH 317 814 817 HOH HOH A . AA 6 HOH 318 815 819 HOH HOH A . AA 6 HOH 319 816 820 HOH HOH A . AA 6 HOH 320 817 821 HOH HOH A . AA 6 HOH 321 818 822 HOH HOH A . AA 6 HOH 322 819 823 HOH HOH A . AA 6 HOH 323 820 824 HOH HOH A . AA 6 HOH 324 821 825 HOH HOH A . AA 6 HOH 325 822 826 HOH HOH A . AA 6 HOH 326 823 827 HOH HOH A . AA 6 HOH 327 824 828 HOH HOH A . AA 6 HOH 328 825 829 HOH HOH A . AA 6 HOH 329 826 830 HOH HOH A . AA 6 HOH 330 827 831 HOH HOH A . AA 6 HOH 331 828 832 HOH HOH A . AA 6 HOH 332 829 834 HOH HOH A . AA 6 HOH 333 830 835 HOH HOH A . AA 6 HOH 334 831 836 HOH HOH A . AA 6 HOH 335 832 837 HOH HOH A . AA 6 HOH 336 833 838 HOH HOH A . AA 6 HOH 337 834 839 HOH HOH A . AA 6 HOH 338 835 840 HOH HOH A . AA 6 HOH 339 836 841 HOH HOH A . AA 6 HOH 340 837 842 HOH HOH A . AA 6 HOH 341 838 843 HOH HOH A . AA 6 HOH 342 839 844 HOH HOH A . AA 6 HOH 343 840 845 HOH HOH A . AA 6 HOH 344 841 847 HOH HOH A . AA 6 HOH 345 842 848 HOH HOH A . AA 6 HOH 346 843 850 HOH HOH A . AA 6 HOH 347 844 851 HOH HOH A . AA 6 HOH 348 845 852 HOH HOH A . AA 6 HOH 349 846 853 HOH HOH A . AA 6 HOH 350 847 854 HOH HOH A . AA 6 HOH 351 848 855 HOH HOH A . AA 6 HOH 352 849 856 HOH HOH A . AA 6 HOH 353 850 857 HOH HOH A . AA 6 HOH 354 851 859 HOH HOH A . AA 6 HOH 355 852 860 HOH HOH A . AA 6 HOH 356 853 861 HOH HOH A . AA 6 HOH 357 854 862 HOH HOH A . AA 6 HOH 358 855 863 HOH HOH A . AA 6 HOH 359 856 864 HOH HOH A . AA 6 HOH 360 857 866 HOH HOH A . AA 6 HOH 361 858 867 HOH HOH A . AA 6 HOH 362 859 868 HOH HOH A . AA 6 HOH 363 860 869 HOH HOH A . AA 6 HOH 364 861 870 HOH HOH A . AA 6 HOH 365 862 871 HOH HOH A . AA 6 HOH 366 863 874 HOH HOH A . AA 6 HOH 367 864 875 HOH HOH A . AA 6 HOH 368 865 877 HOH HOH A . AA 6 HOH 369 866 878 HOH HOH A . AA 6 HOH 370 867 879 HOH HOH A . AA 6 HOH 371 868 880 HOH HOH A . AA 6 HOH 372 869 881 HOH HOH A . AA 6 HOH 373 870 882 HOH HOH A . AA 6 HOH 374 871 883 HOH HOH A . AA 6 HOH 375 872 884 HOH HOH A . AA 6 HOH 376 873 885 HOH HOH A . AA 6 HOH 377 874 886 HOH HOH A . AA 6 HOH 378 875 887 HOH HOH A . AA 6 HOH 379 876 888 HOH HOH A . AA 6 HOH 380 877 889 HOH HOH A . AA 6 HOH 381 878 890 HOH HOH A . AA 6 HOH 382 879 891 HOH HOH A . AA 6 HOH 383 880 892 HOH HOH A . AA 6 HOH 384 881 893 HOH HOH A . AA 6 HOH 385 882 894 HOH HOH A . AA 6 HOH 386 883 895 HOH HOH A . AA 6 HOH 387 884 898 HOH HOH A . AA 6 HOH 388 885 899 HOH HOH A . AA 6 HOH 389 886 902 HOH HOH A . AA 6 HOH 390 887 903 HOH HOH A . AA 6 HOH 391 888 904 HOH HOH A . AA 6 HOH 392 889 905 HOH HOH A . AA 6 HOH 393 890 908 HOH HOH A . AA 6 HOH 394 891 909 HOH HOH A . AA 6 HOH 395 892 911 HOH HOH A . AA 6 HOH 396 893 912 HOH HOH A . AA 6 HOH 397 894 913 HOH HOH A . AA 6 HOH 398 895 914 HOH HOH A . AA 6 HOH 399 896 915 HOH HOH A . AA 6 HOH 400 897 916 HOH HOH A . AA 6 HOH 401 898 918 HOH HOH A . AA 6 HOH 402 899 919 HOH HOH A . AA 6 HOH 403 900 920 HOH HOH A . AA 6 HOH 404 901 921 HOH HOH A . AA 6 HOH 405 902 923 HOH HOH A . AA 6 HOH 406 903 924 HOH HOH A . AA 6 HOH 407 904 925 HOH HOH A . AA 6 HOH 408 905 926 HOH HOH A . AA 6 HOH 409 906 929 HOH HOH A . AA 6 HOH 410 907 931 HOH HOH A . AA 6 HOH 411 908 932 HOH HOH A . AA 6 HOH 412 909 934 HOH HOH A . AA 6 HOH 413 910 935 HOH HOH A . AA 6 HOH 414 911 936 HOH HOH A . AA 6 HOH 415 912 937 HOH HOH A . AA 6 HOH 416 913 939 HOH HOH A . AA 6 HOH 417 914 941 HOH HOH A . AA 6 HOH 418 915 943 HOH HOH A . AA 6 HOH 419 916 944 HOH HOH A . AA 6 HOH 420 917 945 HOH HOH A . AA 6 HOH 421 918 946 HOH HOH A . AA 6 HOH 422 919 947 HOH HOH A . AA 6 HOH 423 920 948 HOH HOH A . AA 6 HOH 424 921 949 HOH HOH A . AA 6 HOH 425 922 952 HOH HOH A . AA 6 HOH 426 923 953 HOH HOH A . AA 6 HOH 427 924 954 HOH HOH A . AA 6 HOH 428 925 955 HOH HOH A . AA 6 HOH 429 926 956 HOH HOH A . AA 6 HOH 430 927 959 HOH HOH A . AA 6 HOH 431 928 960 HOH HOH A . AA 6 HOH 432 929 961 HOH HOH A . AA 6 HOH 433 930 962 HOH HOH A . AA 6 HOH 434 931 963 HOH HOH A . AA 6 HOH 435 932 964 HOH HOH A . AA 6 HOH 436 933 965 HOH HOH A . AA 6 HOH 437 934 969 HOH HOH A . AA 6 HOH 438 935 970 HOH HOH A . AA 6 HOH 439 936 971 HOH HOH A . AA 6 HOH 440 937 973 HOH HOH A . AA 6 HOH 441 938 974 HOH HOH A . AA 6 HOH 442 939 975 HOH HOH A . AA 6 HOH 443 940 980 HOH HOH A . AA 6 HOH 444 941 982 HOH HOH A . AA 6 HOH 445 942 983 HOH HOH A . AA 6 HOH 446 943 985 HOH HOH A . AA 6 HOH 447 944 986 HOH HOH A . AA 6 HOH 448 945 987 HOH HOH A . AA 6 HOH 449 946 988 HOH HOH A . AA 6 HOH 450 947 989 HOH HOH A . AA 6 HOH 451 948 992 HOH HOH A . AA 6 HOH 452 949 995 HOH HOH A . AA 6 HOH 453 950 996 HOH HOH A . AA 6 HOH 454 951 997 HOH HOH A . AA 6 HOH 455 952 999 HOH HOH A . AA 6 HOH 456 953 1001 HOH HOH A . AA 6 HOH 457 954 1002 HOH HOH A . AA 6 HOH 458 955 1004 HOH HOH A . AA 6 HOH 459 956 1005 HOH HOH A . AA 6 HOH 460 957 1006 HOH HOH A . AA 6 HOH 461 958 1008 HOH HOH A . AA 6 HOH 462 959 1010 HOH HOH A . AA 6 HOH 463 960 1011 HOH HOH A . AA 6 HOH 464 961 1012 HOH HOH A . AA 6 HOH 465 962 1014 HOH HOH A . AA 6 HOH 466 963 1015 HOH HOH A . AA 6 HOH 467 964 1016 HOH HOH A . AA 6 HOH 468 965 1017 HOH HOH A . AA 6 HOH 469 966 1018 HOH HOH A . AA 6 HOH 470 967 1019 HOH HOH A . AA 6 HOH 471 968 1020 HOH HOH A . AA 6 HOH 472 969 1022 HOH HOH A . AA 6 HOH 473 970 1023 HOH HOH A . AA 6 HOH 474 971 1024 HOH HOH A . AA 6 HOH 475 972 1025 HOH HOH A . AA 6 HOH 476 973 1026 HOH HOH A . AA 6 HOH 477 974 1027 HOH HOH A . AA 6 HOH 478 975 1028 HOH HOH A . AA 6 HOH 479 976 1029 HOH HOH A . AA 6 HOH 480 977 1030 HOH HOH A . AA 6 HOH 481 978 1031 HOH HOH A . AA 6 HOH 482 979 1032 HOH HOH A . AA 6 HOH 483 980 1033 HOH HOH A . AA 6 HOH 484 981 1034 HOH HOH A . AA 6 HOH 485 982 1035 HOH HOH A . AA 6 HOH 486 983 1036 HOH HOH A . AA 6 HOH 487 984 1037 HOH HOH A . AA 6 HOH 488 985 1039 HOH HOH A . AA 6 HOH 489 986 1040 HOH HOH A . AA 6 HOH 490 987 1041 HOH HOH A . AA 6 HOH 491 988 1042 HOH HOH A . AA 6 HOH 492 989 1043 HOH HOH A . AA 6 HOH 493 990 1044 HOH HOH A . AA 6 HOH 494 991 1045 HOH HOH A . AA 6 HOH 495 992 1046 HOH HOH A . AA 6 HOH 496 993 1047 HOH HOH A . AA 6 HOH 497 994 1048 HOH HOH A . AA 6 HOH 498 995 1049 HOH HOH A . AA 6 HOH 499 996 1050 HOH HOH A . AA 6 HOH 500 997 1051 HOH HOH A . AA 6 HOH 501 998 1052 HOH HOH A . AA 6 HOH 502 999 1053 HOH HOH A . AA 6 HOH 503 1000 1054 HOH HOH A . AA 6 HOH 504 1001 1055 HOH HOH A . AA 6 HOH 505 1002 1056 HOH HOH A . AA 6 HOH 506 1003 1057 HOH HOH A . AA 6 HOH 507 1004 1058 HOH HOH A . AA 6 HOH 508 1005 1059 HOH HOH A . AA 6 HOH 509 1006 1060 HOH HOH A . AA 6 HOH 510 1007 1061 HOH HOH A . AA 6 HOH 511 1008 1062 HOH HOH A . AA 6 HOH 512 1009 1063 HOH HOH A . AA 6 HOH 513 1010 1064 HOH HOH A . AA 6 HOH 514 1011 1065 HOH HOH A . AA 6 HOH 515 1012 1066 HOH HOH A . AA 6 HOH 516 1013 1067 HOH HOH A . AA 6 HOH 517 1014 1068 HOH HOH A . AA 6 HOH 518 1015 1069 HOH HOH A . AA 6 HOH 519 1016 1070 HOH HOH A . AA 6 HOH 520 1017 1071 HOH HOH A . AA 6 HOH 521 1018 1072 HOH HOH A . AA 6 HOH 522 1019 1073 HOH HOH A . AA 6 HOH 523 1020 1074 HOH HOH A . AA 6 HOH 524 1021 1075 HOH HOH A . AA 6 HOH 525 1022 1076 HOH HOH A . AA 6 HOH 526 1023 1077 HOH HOH A . AA 6 HOH 527 1024 1078 HOH HOH A . AA 6 HOH 528 1025 1079 HOH HOH A . AA 6 HOH 529 1026 1080 HOH HOH A . AA 6 HOH 530 1027 1081 HOH HOH A . AA 6 HOH 531 1028 1082 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 170 A ASN 171 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 394 A ASN 395 ? ASN 'GLYCOSYLATION SITE' 3 A SER 442 A SER 443 ? SER 'GLYCOSYLATION SITE' 4 A SER 443 A SER 444 ? SER 'GLYCOSYLATION SITE' 5 A SER 452 A SER 453 ? SER 'GLYCOSYLATION SITE' 6 A THR 456 A THR 457 ? THR 'GLYCOSYLATION SITE' 7 A SER 458 A SER 459 ? SER 'GLYCOSYLATION SITE' 8 A SER 459 A SER 460 ? SER 'GLYCOSYLATION SITE' 9 A THR 461 A THR 462 ? THR 'GLYCOSYLATION SITE' 10 A THR 463 A THR 464 ? THR 'GLYCOSYLATION SITE' 11 A THR 451 A THR 452 ? THR 'GLYCOSYLATION SITE' 12 A SER 454 A SER 455 ? SER 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA # _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 1996-08-17 2 'Structure model' 1 1 2008-03-21 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2018-03-21 # _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' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Data collection' 5 4 'Structure model' Other # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' diffrn_detector 2 4 'Structure model' pdbx_database_status # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_diffrn_detector.pdbx_collection_date' 2 4 'Structure model' '_pdbx_database_status.process_site' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal XENGEN 'data collection' . ? 1 XENGEN 'data reduction' . ? 2 X-PLOR 'model building' 3.1 ? 3 X-PLOR refinement 3.1 ? 4 XENGEN 'data scaling' . ? 5 X-PLOR phasing 3.1 ? 6 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ;SHEET MOST OF THE SHEETS FOR GLUCOAMYLASE-471 ARE HAIRPIN LOOPS THAT CONNECT HELICES. THESE LOOPS HAVE TWO OR MORE H-BONDS BETWEEN THE ANTIPARALLEL STRANDS THAT COMPRISE THEM. IN ADDITION INDIVIDUAL LOOPS PACK TOGETHER, BUT THERE EXISTS GENERALLY ONLY ONE H-BOND BETWEEN A LOOP AND ITS NEIGHBOR. ; # _pdbx_entry_details.entry_id 1GAH _pdbx_entry_details.compound_details ;GLUCOAMYLASE-471 IS A NATURAL PROTEOLYTIC FRAGMENT OF PARENT GLUCOAMYLASE, WHICH IS INITIALLY SECRETED BY FUNGI. GLUCOAMYLASE-471 LACKS THE STARCH-BINDING DOMAIN AND A PART OF THE O-GLYCOSYLATED LINKER DOMAIN. THE ACTUAL LENGTH OF GLUCOAMYLASE-471 FROM ASPERGILLUS AWAMORI VAR. X100 IS NOT DETERMINED EXACTLY. THE CRYSTALLOGRAPHICALLY OBSERVED LENGTH VARIES BETWEEN 471 AND 473 RESIDUES. THE SEQUENCE USED IS THAT OF GLUCOAMYLASE FROM ASPERGILLUS AWAMORI VAR. KAWACHI (SEE JRNL AND REFERENCE 4). RESIDUE NUMBERS ARE DISCONTINUOUS. RESIDUE NUMBER 102 IS SKIPPED SO THAT THE NUMBERING OF THE RESIDUES IS CONSISTENT WITH GLUCOAMYLASE FROM ASPERGILLUS NIGER. RESIDUE NUMBERS 141, 240, 319, 320, AND 445 HAVE THE AMINO ACID TYPE CORRESPONDING TO THE GLUCOAMYLASE FROM ASPERGILLUS NIGER, RATHER THAN THAT OF ASPERGILLUS AWAMORI VAR. KAWACHI. THE POLYPEPTIDE CHAIN FOLDS INTO AN ALPHA/ALPHA-BARREL, COMPRISING 12 HELICES. ; _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ;ACARBOSE IS BOUND TO THE ACTIVE SITE OF THE ENZYME. ACARBOSE IS PSEUDOTETRASACCHARIDE. THE LAST TWO RESIDUES OF THE REDUCING END PRESENT IN TWO ALTERNATE CONFORMATIONS, ONE OF WHICH (OCCUPANCY 0.47) CORRESPONDS TO THE CONFORMATION OF THE INHIBITOR OBSERVED AT PH 6.0. SEE RELATED PROTEIN DATA BANK ENTRY 1AGM FOR THE STRUCTURE OF GLUCOAMYLASE-471 COMPLEXED WITH ACARBOSE DETERMINED AT PH 6.0. SEE RELATED PROTEIN DATA BANK ENTRY 1GAI FOR THE STRUCTURE OF GLUCOAMYLASE-741 COMPLEXED WITH D-GLUCO-DIHYDROACARBOSE DETERMINED AT PH 4.0. ; _pdbx_entry_details.sequence_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A HOH 606 ? ? H2 A HOH 637 ? ? 1.56 2 1 H2 A HOH 638 ? ? O A HOH 762 ? ? 1.60 # 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 147 ? ? -109.47 56.82 2 1 ILE A 154 ? ? -107.08 -63.31 3 1 SER A 208 ? ? -119.28 -152.97 4 1 ASN A 313 ? ? 83.94 0.18 5 1 SER A 411 ? ? 67.19 -157.47 6 1 ALA A 442 ? ? -144.07 39.99 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1D _pdbx_validate_chiral.label_alt_id B _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id ACR _pdbx_validate_chiral.auth_seq_id 497 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details 'WRONG HAND' _pdbx_validate_chiral.omega . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 ALPHA-D-MANNOSE MAN 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 ALPHA-ACARBOSE ACR 6 water HOH #