data_1OJI # _entry.id 1OJI # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1OJI PDBE EBI-12682 WWPDB D_1290012682 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1A39 unspecified 'HUMICOLA INSOLENS ENDOCELLULASE EGI S37W, P39W DOUBLE-MUTANT' PDB 1DYM unspecified 'HUMICOLA INSOLENS ENDOCELLULASE CEL7B (EG 1) E197A MUTANT' PDB 1OJJ unspecified 'ANATOMY OF GLYCOSYNTHESIS: STRUCTURE AND KINETICS OF THE HUMICOLA INSOLENS CEL7BE197A AND E197S GLYCOSYNTHASE MUTANTS' PDB 1OJK unspecified 'ANATOMY OF GLYCOSYNTHESIS: STRUCTURE AND KINETICS OF THE HUMICOLA INSOLENS CEL7BE197A AND E197S GLYCOSYNTHASE MUTANTS' PDB 2A39 unspecified 'HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1OJI _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2003-07-10 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Ducros, V.M.-A.' 1 'Tarling, C.A.' 2 'Zechel, D.L.' 3 'Brzozowski, A.M.' 4 'Frandsen, T.P.' 5 'Von Ossowski, I.' 6 'Schulein, M.' 7 'Withers, S.G.' 8 'Davies, G.J.' 9 # _citation.id primary _citation.title 'Anatomy of Glycosynthesis: Structure and Kinetics of the Humicola Insolens Cel7B E197A and E197S Glycosynthase Mutants' _citation.journal_abbrev Chem.Biol. _citation.journal_volume 10 _citation.page_first 619 _citation.page_last ? _citation.year 2003 _citation.journal_id_ASTM CBOLE2 _citation.country UK _citation.journal_id_ISSN 1074-5521 _citation.journal_id_CSD 2050 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 12890535 _citation.pdbx_database_id_DOI '10.1016/S1074-5521(03)00143-1' # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ducros, V.M.-A.' 1 primary 'Tarling, C.A.' 2 primary 'Zechel, D.L.' 3 primary 'Brzozowski, A.M.' 4 primary 'Frandsen, T.P.' 5 primary 'Von Ossowski, I.' 6 primary 'Schulein, M.' 7 primary 'Withers, S.G.' 8 primary 'Davies, G.J.' 9 # _cell.entry_id 1OJI _cell.length_a 122.312 _cell.length_b 122.312 _cell.length_c 82.616 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1OJI _symmetry.space_group_name_H-M 'P 65' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 170 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'ENDOGLUCANASE I' 44568.109 1 3.2.1.4 YES ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 4 water nat water 18.015 330 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name ENDO-1,4-BETA-GLUCANASE # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;(PCA)KPGETKEVHPQLTTFRCTKRGGCKPATNFIVLDSLSHPIHRAEGLGPGGCGDWGNPPPKDVCPDVESCAKNCIME GIPDYSQYGVTTNGTSLRLQHILPDGRVPSPRVYLLDKTKRRYEMLHLTGFEFTFDVDATKLPCGMNSALYLSEMHPTGA KSKYNPGGAYYGTGYCDAQCFVTPFINGLGNIEGKGSCCNSMDIWEANSRASHVAPHTCNKKGLYLCEGEECAFEGVCDK NGCGWNNYRVNVTDYYGRGEEFKVNTLKPFTVVTQFLANRRGKLEKIHRFYVQDGKVIESFYTNKEGVPYTNMIDDEFCE ATGSRKYMELGATQGMGEALTRGMVLAMSIWWDQGGNMEWLDHGEAGPCAKGEGAPSNIVQVEPFPEVTYTNLRWGEIGS TYQELQ ; _entity_poly.pdbx_seq_one_letter_code_can ;EKPGETKEVHPQLTTFRCTKRGGCKPATNFIVLDSLSHPIHRAEGLGPGGCGDWGNPPPKDVCPDVESCAKNCIMEGIPD YSQYGVTTNGTSLRLQHILPDGRVPSPRVYLLDKTKRRYEMLHLTGFEFTFDVDATKLPCGMNSALYLSEMHPTGAKSKY NPGGAYYGTGYCDAQCFVTPFINGLGNIEGKGSCCNSMDIWEANSRASHVAPHTCNKKGLYLCEGEECAFEGVCDKNGCG WNNYRVNVTDYYGRGEEFKVNTLKPFTVVTQFLANRRGKLEKIHRFYVQDGKVIESFYTNKEGVPYTNMIDDEFCEATGS RKYMELGATQGMGEALTRGMVLAMSIWWDQGGNMEWLDHGEAGPCAKGEGAPSNIVQVEPFPEVTYTNLRWGEIGSTYQE LQ ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PCA n 1 2 LYS n 1 3 PRO n 1 4 GLY n 1 5 GLU n 1 6 THR n 1 7 LYS n 1 8 GLU n 1 9 VAL n 1 10 HIS n 1 11 PRO n 1 12 GLN n 1 13 LEU n 1 14 THR n 1 15 THR n 1 16 PHE n 1 17 ARG n 1 18 CYS n 1 19 THR n 1 20 LYS n 1 21 ARG n 1 22 GLY n 1 23 GLY n 1 24 CYS n 1 25 LYS n 1 26 PRO n 1 27 ALA n 1 28 THR n 1 29 ASN n 1 30 PHE n 1 31 ILE n 1 32 VAL n 1 33 LEU n 1 34 ASP n 1 35 SER n 1 36 LEU n 1 37 SER n 1 38 HIS n 1 39 PRO n 1 40 ILE n 1 41 HIS n 1 42 ARG n 1 43 ALA n 1 44 GLU n 1 45 GLY n 1 46 LEU n 1 47 GLY n 1 48 PRO n 1 49 GLY n 1 50 GLY n 1 51 CYS n 1 52 GLY n 1 53 ASP n 1 54 TRP n 1 55 GLY n 1 56 ASN n 1 57 PRO n 1 58 PRO n 1 59 PRO n 1 60 LYS n 1 61 ASP n 1 62 VAL n 1 63 CYS n 1 64 PRO n 1 65 ASP n 1 66 VAL n 1 67 GLU n 1 68 SER n 1 69 CYS n 1 70 ALA n 1 71 LYS n 1 72 ASN n 1 73 CYS n 1 74 ILE n 1 75 MET n 1 76 GLU n 1 77 GLY n 1 78 ILE n 1 79 PRO n 1 80 ASP n 1 81 TYR n 1 82 SER n 1 83 GLN n 1 84 TYR n 1 85 GLY n 1 86 VAL n 1 87 THR n 1 88 THR n 1 89 ASN n 1 90 GLY n 1 91 THR n 1 92 SER n 1 93 LEU n 1 94 ARG n 1 95 LEU n 1 96 GLN n 1 97 HIS n 1 98 ILE n 1 99 LEU n 1 100 PRO n 1 101 ASP n 1 102 GLY n 1 103 ARG n 1 104 VAL n 1 105 PRO n 1 106 SER n 1 107 PRO n 1 108 ARG n 1 109 VAL n 1 110 TYR n 1 111 LEU n 1 112 LEU n 1 113 ASP n 1 114 LYS n 1 115 THR n 1 116 LYS n 1 117 ARG n 1 118 ARG n 1 119 TYR n 1 120 GLU n 1 121 MET n 1 122 LEU n 1 123 HIS n 1 124 LEU n 1 125 THR n 1 126 GLY n 1 127 PHE n 1 128 GLU n 1 129 PHE n 1 130 THR n 1 131 PHE n 1 132 ASP n 1 133 VAL n 1 134 ASP n 1 135 ALA n 1 136 THR n 1 137 LYS n 1 138 LEU n 1 139 PRO n 1 140 CYS n 1 141 GLY n 1 142 MET n 1 143 ASN n 1 144 SER n 1 145 ALA n 1 146 LEU n 1 147 TYR n 1 148 LEU n 1 149 SER n 1 150 GLU n 1 151 MET n 1 152 HIS n 1 153 PRO n 1 154 THR n 1 155 GLY n 1 156 ALA n 1 157 LYS n 1 158 SER n 1 159 LYS n 1 160 TYR n 1 161 ASN n 1 162 PRO n 1 163 GLY n 1 164 GLY n 1 165 ALA n 1 166 TYR n 1 167 TYR n 1 168 GLY n 1 169 THR n 1 170 GLY n 1 171 TYR n 1 172 CYS n 1 173 ASP n 1 174 ALA n 1 175 GLN n 1 176 CYS n 1 177 PHE n 1 178 VAL n 1 179 THR n 1 180 PRO n 1 181 PHE n 1 182 ILE n 1 183 ASN n 1 184 GLY n 1 185 LEU n 1 186 GLY n 1 187 ASN n 1 188 ILE n 1 189 GLU n 1 190 GLY n 1 191 LYS n 1 192 GLY n 1 193 SER n 1 194 CYS n 1 195 CYS n 1 196 ASN n 1 197 SER n 1 198 MET n 1 199 ASP n 1 200 ILE n 1 201 TRP n 1 202 GLU n 1 203 ALA n 1 204 ASN n 1 205 SER n 1 206 ARG n 1 207 ALA n 1 208 SER n 1 209 HIS n 1 210 VAL n 1 211 ALA n 1 212 PRO n 1 213 HIS n 1 214 THR n 1 215 CYS n 1 216 ASN n 1 217 LYS n 1 218 LYS n 1 219 GLY n 1 220 LEU n 1 221 TYR n 1 222 LEU n 1 223 CYS n 1 224 GLU n 1 225 GLY n 1 226 GLU n 1 227 GLU n 1 228 CYS n 1 229 ALA n 1 230 PHE n 1 231 GLU n 1 232 GLY n 1 233 VAL n 1 234 CYS n 1 235 ASP n 1 236 LYS n 1 237 ASN n 1 238 GLY n 1 239 CYS n 1 240 GLY n 1 241 TRP n 1 242 ASN n 1 243 ASN n 1 244 TYR n 1 245 ARG n 1 246 VAL n 1 247 ASN n 1 248 VAL n 1 249 THR n 1 250 ASP n 1 251 TYR n 1 252 TYR n 1 253 GLY n 1 254 ARG n 1 255 GLY n 1 256 GLU n 1 257 GLU n 1 258 PHE n 1 259 LYS n 1 260 VAL n 1 261 ASN n 1 262 THR n 1 263 LEU n 1 264 LYS n 1 265 PRO n 1 266 PHE n 1 267 THR n 1 268 VAL n 1 269 VAL n 1 270 THR n 1 271 GLN n 1 272 PHE n 1 273 LEU n 1 274 ALA n 1 275 ASN n 1 276 ARG n 1 277 ARG n 1 278 GLY n 1 279 LYS n 1 280 LEU n 1 281 GLU n 1 282 LYS n 1 283 ILE n 1 284 HIS n 1 285 ARG n 1 286 PHE n 1 287 TYR n 1 288 VAL n 1 289 GLN n 1 290 ASP n 1 291 GLY n 1 292 LYS n 1 293 VAL n 1 294 ILE n 1 295 GLU n 1 296 SER n 1 297 PHE n 1 298 TYR n 1 299 THR n 1 300 ASN n 1 301 LYS n 1 302 GLU n 1 303 GLY n 1 304 VAL n 1 305 PRO n 1 306 TYR n 1 307 THR n 1 308 ASN n 1 309 MET n 1 310 ILE n 1 311 ASP n 1 312 ASP n 1 313 GLU n 1 314 PHE n 1 315 CYS n 1 316 GLU n 1 317 ALA n 1 318 THR n 1 319 GLY n 1 320 SER n 1 321 ARG n 1 322 LYS n 1 323 TYR n 1 324 MET n 1 325 GLU n 1 326 LEU n 1 327 GLY n 1 328 ALA n 1 329 THR n 1 330 GLN n 1 331 GLY n 1 332 MET n 1 333 GLY n 1 334 GLU n 1 335 ALA n 1 336 LEU n 1 337 THR n 1 338 ARG n 1 339 GLY n 1 340 MET n 1 341 VAL n 1 342 LEU n 1 343 ALA n 1 344 MET n 1 345 SER n 1 346 ILE n 1 347 TRP n 1 348 TRP n 1 349 ASP n 1 350 GLN n 1 351 GLY n 1 352 GLY n 1 353 ASN n 1 354 MET n 1 355 GLU n 1 356 TRP n 1 357 LEU n 1 358 ASP n 1 359 HIS n 1 360 GLY n 1 361 GLU n 1 362 ALA n 1 363 GLY n 1 364 PRO n 1 365 CYS n 1 366 ALA n 1 367 LYS n 1 368 GLY n 1 369 GLU n 1 370 GLY n 1 371 ALA n 1 372 PRO n 1 373 SER n 1 374 ASN n 1 375 ILE n 1 376 VAL n 1 377 GLN n 1 378 VAL n 1 379 GLU n 1 380 PRO n 1 381 PHE n 1 382 PRO n 1 383 GLU n 1 384 VAL n 1 385 THR n 1 386 TYR n 1 387 THR n 1 388 ASN n 1 389 LEU n 1 390 ARG n 1 391 TRP n 1 392 GLY n 1 393 GLU n 1 394 ILE n 1 395 GLY n 1 396 SER n 1 397 THR n 1 398 TYR n 1 399 GLN n 1 400 GLU n 1 401 LEU n 1 402 GLN n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'HUMICOLA INSOLENS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 34413 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'ASPERGILLUS ORYZAE' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 5062 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code GUN1_HUMIN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P56680 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1OJI _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 402 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P56680 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 402 _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 402 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 1OJI _struct_ref_seq_dif.mon_id SER _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 197 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P56680 _struct_ref_seq_dif.db_mon_id GLU _struct_ref_seq_dif.pdbx_seq_db_seq_num 197 _struct_ref_seq_dif.details 'engineered mutation' _struct_ref_seq_dif.pdbx_auth_seq_num 197 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 PCA 'L-peptide linking' n 'PYROGLUTAMIC ACID' ? 'C5 H7 N O3' 129.114 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1OJI _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.1 _exptl_crystal.density_percent_sol 69.4 _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 7.00 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'HANGING DROPS 20MM TRIS-HCL PH7-8.5, 15-30% POLYETHYLENE GLYCOL 4000, pH 7.00' # _diffrn.id 1 _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC CCD' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details MIRRORS # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.93300 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-4' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-4 _diffrn_source.pdbx_wavelength 0.93300 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 1OJI _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 15.000 _reflns.d_resolution_high 2.150 _reflns.number_obs 38032 _reflns.number_all ? _reflns.percent_possible_obs 100.0 _reflns.pdbx_Rmerge_I_obs 0.09000 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 21.0000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 8.900 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.15 _reflns_shell.d_res_low 2.23 _reflns_shell.percent_possible_all 99.9 _reflns_shell.Rmerge_I_obs 0.35000 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 7.000 _reflns_shell.pdbx_redundancy 8.70 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 1OJI _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 35580 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 105.41 _refine.ls_d_res_high 2.15 _refine.ls_percent_reflns_obs 98.1 _refine.ls_R_factor_obs 0.194 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.192 _refine.ls_R_factor_R_free 0.226 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.000 _refine.ls_number_reflns_R_free 1867 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.933 _refine.correlation_coeff_Fo_to_Fc_free 0.906 _refine.B_iso_mean 20.97 _refine.aniso_B[1][1] 1.33000 _refine.aniso_B[2][2] 1.33000 _refine.aniso_B[3][3] -1.99000 _refine.aniso_B[1][2] 0.66000 _refine.aniso_B[1][3] 0.00000 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB ENTRY 1DYM' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.169 _refine.pdbx_overall_ESU_R_Free 0.155 _refine.overall_SU_ML 0.126 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 4.846 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3084 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 20 _refine_hist.number_atoms_solvent 330 _refine_hist.number_atoms_total 3434 _refine_hist.d_res_high 2.15 _refine_hist.d_res_low 105.41 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.019 0.022 ? 3220 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 2758 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.792 1.948 ? 4370 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.880 3.000 ? 6461 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.639 5.000 ? 397 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 33.750 24.200 ? 150 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.918 15.000 ? 517 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 18.553 15.000 ? 18 'X-RAY DIFFRACTION' ? r_chiral_restr 0.102 0.200 ? 450 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.020 ? 3612 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 651 'X-RAY DIFFRACTION' ? r_nbd_refined 0.211 0.200 ? 662 'X-RAY DIFFRACTION' ? r_nbd_other 0.198 0.200 ? 2831 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other 0.090 0.200 ? 1824 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.172 0.200 ? 251 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.113 0.200 ? 4 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other 0.314 0.200 ? 26 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.243 0.200 ? 14 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.221 1.500 ? 2482 'X-RAY DIFFRACTION' ? r_mcbond_other 0.238 1.500 ? 819 'X-RAY DIFFRACTION' ? r_mcangle_it 1.498 2.000 ? 3175 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it 2.602 3.000 ? 1478 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it 3.605 4.500 ? 1191 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.15 _refine_ls_shell.d_res_low 2.21 _refine_ls_shell.number_reflns_R_work 2638 _refine_ls_shell.R_factor_R_work 0.2000 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.2510 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 143 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 1OJI _struct.title 'Anatomy of glycosynthesis: Structure and kinetics of the Humicola insolens Cel7B E197A and E197S glycosynthase mutants' _struct.pdbx_descriptor 'ENDOGLUCANASE I (E.C.3.2.1.4)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1OJI _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, CELLULOSE DEGRADATION, GLYCOSYNTHASE' # 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 3 ? D N N 4 ? # _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 SER A 35 ? HIS A 38 ? SER A 35 HIS A 38 5 ? 4 HELX_P HELX_P2 2 ASP A 65 ? ASN A 72 ? ASP A 65 ASN A 72 1 ? 8 HELX_P HELX_P3 3 ASP A 80 ? TYR A 84 ? ASP A 80 TYR A 84 5 ? 5 HELX_P HELX_P4 4 GLY A 163 ? GLY A 168 ? GLY A 163 GLY A 168 5 ? 6 HELX_P HELX_P5 5 GLU A 224 ? ALA A 229 ? GLU A 224 ALA A 229 5 ? 6 HELX_P HELX_P6 6 ASN A 242 ? ASN A 247 ? ASN A 242 ASN A 247 5 ? 6 HELX_P HELX_P7 7 ASP A 312 ? THR A 318 ? ASP A 312 THR A 318 1 ? 7 HELX_P HELX_P8 8 SER A 320 ? LEU A 326 ? SER A 320 LEU A 326 1 ? 7 HELX_P HELX_P9 9 GLY A 327 ? GLY A 339 ? GLY A 327 GLY A 339 1 ? 13 HELX_P HELX_P10 10 MET A 354 ? HIS A 359 ? MET A 354 HIS A 359 1 ? 6 HELX_P HELX_P11 11 GLY A 360 ? GLY A 363 ? GLY A 360 GLY A 363 5 ? 4 HELX_P HELX_P12 12 ALA A 371 ? VAL A 376 ? ALA A 371 VAL A 376 1 ? 6 # _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 51 SG ? ? ? 1_555 A CYS 73 SG ? ? A CYS 51 A CYS 73 1_555 ? ? ? ? ? ? ? 1.992 ? disulf2 disulf ? ? A CYS 63 SG ? ? ? 1_555 A CYS 69 SG ? ? A CYS 63 A CYS 69 1_555 ? ? ? ? ? ? ? 2.126 ? disulf3 disulf ? ? A CYS 140 SG A ? ? 1_555 A CYS 365 SG ? ? A CYS 140 A CYS 365 1_555 ? ? ? ? ? ? ? 2.053 ? disulf4 disulf ? ? A CYS 140 SG B ? ? 1_555 A CYS 365 SG ? ? A CYS 140 A CYS 365 1_555 ? ? ? ? ? ? ? 2.058 ? disulf5 disulf ? ? A CYS 172 SG ? ? ? 1_555 A CYS 195 SG ? ? A CYS 172 A CYS 195 1_555 ? ? ? ? ? ? ? 2.096 ? disulf6 disulf ? ? A CYS 176 SG ? ? ? 1_555 A CYS 194 SG ? ? A CYS 176 A CYS 194 1_555 ? ? ? ? ? ? ? 2.060 ? disulf7 disulf ? ? A CYS 215 SG ? ? ? 1_555 A CYS 234 SG ? ? A CYS 215 A CYS 234 1_555 ? ? ? ? ? ? ? 2.007 ? disulf8 disulf ? ? A CYS 223 SG ? ? ? 1_555 A CYS 228 SG ? ? A CYS 223 A CYS 228 1_555 ? ? ? ? ? ? ? 2.066 ? disulf9 disulf ? ? A CYS 239 SG ? ? ? 1_555 A CYS 315 SG ? ? A CYS 239 A CYS 315 1_555 ? ? ? ? ? ? ? 2.097 ? covale1 covale ? ? A PCA 1 C ? ? ? 1_555 A LYS 2 N ? ? A PCA 1 A LYS 2 1_555 ? ? ? ? ? ? ? 1.312 ? covale2 covale ? ? A ASN 247 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 247 A NAG 1400 1_555 ? ? ? ? ? ? ? 1.438 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 7 ? AB ? 6 ? AC ? 2 ? AD ? 3 ? AE ? 2 ? AF ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AA 3 4 ? parallel AA 4 5 ? anti-parallel AA 5 6 ? anti-parallel AA 6 7 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? anti-parallel AB 5 6 ? anti-parallel AC 1 2 ? anti-parallel AD 1 2 ? anti-parallel AD 2 3 ? anti-parallel AE 1 2 ? anti-parallel AF 1 2 ? parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 VAL A 86 ? ASN A 89 ? VAL A 86 ASN A 89 AA 2 SER A 92 ? GLN A 96 ? SER A 92 GLN A 96 AA 3 GLU A 383 ? GLY A 392 ? GLU A 383 GLY A 392 AA 4 GLN A 12 ? THR A 19 ? GLN A 12 THR A 19 AA 5 GLY A 23 ? LEU A 33 ? GLY A 23 LEU A 33 AA 6 ARG A 108 ? LEU A 112 ? ARG A 108 LEU A 112 AA 7 MET A 340 ? TRP A 347 ? MET A 340 TRP A 347 AB 1 VAL A 86 ? ASN A 89 ? VAL A 86 ASN A 89 AB 2 SER A 92 ? GLN A 96 ? SER A 92 GLN A 96 AB 3 GLU A 383 ? GLY A 392 ? GLU A 383 GLY A 392 AB 4 GLU A 128 ? ASP A 134 ? GLU A 128 ASP A 134 AB 5 PHE A 266 ? ALA A 274 ? PHE A 266 ALA A 274 AB 6 LEU A 280 ? GLN A 289 ? LEU A 280 GLN A 289 AC 1 ILE A 40 ? ARG A 42 ? ILE A 40 ARG A 42 AC 2 CYS A 73 ? MET A 75 ? CYS A 73 MET A 75 AD 1 PHE A 177 ? VAL A 178 ? PHE A 177 VAL A 178 AD 2 GLY A 192 ? CYS A 194 ? GLY A 192 CYS A 194 AD 3 TYR A 221 ? CYS A 223 ? TYR A 221 CYS A 223 AE 1 PHE A 181 ? ILE A 182 ? PHE A 181 ILE A 182 AE 2 LEU A 185 ? GLY A 186 ? LEU A 185 GLY A 186 AF 1 TYR A 252 ? GLY A 253 ? TYR A 252 GLY A 253 AF 2 VAL A 260 ? ASN A 261 ? VAL A 260 ASN A 261 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA 1 2 N ASN A 89 ? N ASN A 89 O SER A 92 ? O SER A 92 AA 2 3 N LEU A 95 ? N LEU A 95 O VAL A 384 ? O VAL A 384 AA 3 4 N TRP A 391 ? N TRP A 391 O PHE A 16 ? O PHE A 16 AA 4 5 N THR A 19 ? N THR A 19 O GLY A 23 ? O GLY A 23 AA 5 6 N VAL A 32 ? N VAL A 32 O TYR A 110 ? O TYR A 110 AA 6 7 N LEU A 111 ? N LEU A 111 O LEU A 342 ? O LEU A 342 AB 1 2 N ASN A 89 ? N ASN A 89 O SER A 92 ? O SER A 92 AB 2 3 N LEU A 95 ? N LEU A 95 O VAL A 384 ? O VAL A 384 AB 3 4 N GLY A 392 ? N GLY A 392 O GLU A 128 ? O GLU A 128 AB 4 5 N VAL A 133 ? N VAL A 133 O PHE A 266 ? O PHE A 266 AB 5 6 O LEU A 273 ? O LEU A 273 N GLU A 281 ? N GLU A 281 AC 1 2 N HIS A 41 ? N HIS A 41 O ILE A 74 ? O ILE A 74 AD 1 2 O PHE A 177 ? O PHE A 177 N SER A 193 ? N SER A 193 AD 2 3 N CYS A 194 ? N CYS A 194 O TYR A 221 ? O TYR A 221 AE 1 2 N ILE A 182 ? N ILE A 182 O LEU A 185 ? O LEU A 185 AF 1 2 N GLY A 253 ? N GLY A 253 O VAL A 260 ? O VAL A 260 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A1400' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A1401' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 ASN A 247 ? ASN A 247 . ? 1_555 ? 2 AC1 4 ASN A 300 ? ASN A 300 . ? 1_555 ? 3 AC1 4 LYS A 301 ? LYS A 301 . ? 1_555 ? 4 AC1 4 GLU A 302 ? GLU A 302 . ? 1_555 ? 5 AC2 6 ARG A 108 ? ARG A 108 . ? 1_555 ? 6 AC2 6 TYR A 147 ? TYR A 147 . ? 1_555 ? 7 AC2 6 SER A 345 ? SER A 345 . ? 1_555 ? 8 AC2 6 TRP A 347 ? TRP A 347 . ? 1_555 ? 9 AC2 6 HOH D . ? HOH A 2187 . ? 1_555 ? 10 AC2 6 HOH D . ? HOH A 2329 . ? 1_555 ? # _database_PDB_matrix.entry_id 1OJI _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 1OJI _atom_sites.fract_transf_matrix[1][1] 0.008176 _atom_sites.fract_transf_matrix[1][2] 0.004720 _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] 0.009441 _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] 0.012104 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num HETATM 1 N N . PCA A 1 1 ? 4.755 85.978 -21.143 1.00 22.20 ? 1 PCA A N 1 HETATM 2 C CA . PCA A 1 1 ? 5.291 84.830 -21.776 1.00 21.00 ? 1 PCA A CA 1 HETATM 3 C CB . PCA A 1 1 ? 6.204 84.100 -20.774 1.00 21.67 ? 1 PCA A CB 1 HETATM 4 C CG . PCA A 1 1 ? 6.216 84.856 -19.468 1.00 20.74 ? 1 PCA A CG 1 HETATM 5 C CD . PCA A 1 1 ? 5.315 86.006 -19.800 1.00 21.97 ? 1 PCA A CD 1 HETATM 6 O OE . PCA A 1 1 ? 5.094 86.926 -19.009 1.00 24.20 ? 1 PCA A OE 1 HETATM 7 C C . PCA A 1 1 ? 4.059 84.052 -22.162 1.00 20.96 ? 1 PCA A C 1 HETATM 8 O O . PCA A 1 1 ? 2.978 84.315 -21.658 1.00 20.23 ? 1 PCA A O 1 ATOM 9 N N . LYS A 1 2 ? 4.232 83.083 -23.029 1.00 20.39 ? 2 LYS A N 1 ATOM 10 C CA . LYS A 1 2 ? 3.128 82.336 -23.604 1.00 21.36 ? 2 LYS A CA 1 ATOM 11 C C . LYS A 1 2 ? 2.689 81.283 -22.625 1.00 19.31 ? 2 LYS A C 1 ATOM 12 O O . LYS A 1 2 ? 3.503 80.539 -22.187 1.00 19.56 ? 2 LYS A O 1 ATOM 13 C CB . LYS A 1 2 ? 3.633 81.657 -24.883 1.00 21.78 ? 2 LYS A CB 1 ATOM 14 C CG . LYS A 1 2 ? 2.529 81.045 -25.779 1.00 22.61 ? 2 LYS A CG 1 ATOM 15 C CD . LYS A 1 2 ? 3.157 80.424 -27.062 1.00 23.46 ? 2 LYS A CD 1 ATOM 16 C CE . LYS A 1 2 ? 2.120 80.260 -28.162 1.00 27.64 ? 2 LYS A CE 1 ATOM 17 N NZ . LYS A 1 2 ? 0.986 79.385 -27.691 1.00 31.63 ? 2 LYS A NZ 1 ATOM 18 N N . PRO A 1 3 ? 1.421 81.204 -22.264 1.00 19.86 ? 3 PRO A N 1 ATOM 19 C CA . PRO A 1 3 ? 0.977 80.122 -21.421 1.00 20.09 ? 3 PRO A CA 1 ATOM 20 C C . PRO A 1 3 ? 1.215 78.729 -22.086 1.00 20.96 ? 3 PRO A C 1 ATOM 21 O O . PRO A 1 3 ? 1.063 78.564 -23.303 1.00 19.74 ? 3 PRO A O 1 ATOM 22 C CB . PRO A 1 3 ? -0.487 80.431 -21.210 1.00 20.57 ? 3 PRO A CB 1 ATOM 23 C CG . PRO A 1 3 ? -0.634 81.879 -21.485 1.00 20.37 ? 3 PRO A CG 1 ATOM 24 C CD . PRO A 1 3 ? 0.320 82.132 -22.580 1.00 20.54 ? 3 PRO A CD 1 ATOM 25 N N . GLY A 1 4 ? 1.695 77.789 -21.288 1.00 20.97 ? 4 GLY A N 1 ATOM 26 C CA . GLY A 1 4 ? 2.036 76.481 -21.759 1.00 22.09 ? 4 GLY A CA 1 ATOM 27 C C . GLY A 1 4 ? 0.839 75.568 -21.598 1.00 22.40 ? 4 GLY A C 1 ATOM 28 O O . GLY A 1 4 ? -0.258 76.040 -21.401 1.00 21.61 ? 4 GLY A O 1 ATOM 29 N N . GLU A 1 5 ? 1.072 74.262 -21.679 1.00 23.60 ? 5 GLU A N 1 ATOM 30 C CA . GLU A 1 5 ? -0.010 73.260 -21.672 1.00 24.54 ? 5 GLU A CA 1 ATOM 31 C C . GLU A 1 5 ? -0.418 72.846 -20.246 1.00 23.99 ? 5 GLU A C 1 ATOM 32 O O . GLU A 1 5 ? -1.555 72.460 -20.032 1.00 24.52 ? 5 GLU A O 1 ATOM 33 C CB . GLU A 1 5 ? 0.388 72.016 -22.504 1.00 26.58 ? 5 GLU A CB 1 ATOM 34 C CG . GLU A 1 5 ? 1.010 72.293 -23.890 1.00 32.29 ? 5 GLU A CG 1 ATOM 35 C CD . GLU A 1 5 ? 0.120 71.945 -25.124 1.00 40.86 ? 5 GLU A CD 1 ATOM 36 O OE1 . GLU A 1 5 ? -1.034 72.511 -25.219 1.00 44.02 ? 5 GLU A OE1 1 ATOM 37 O OE2 . GLU A 1 5 ? 0.568 71.123 -26.015 1.00 39.23 ? 5 GLU A OE2 1 ATOM 38 N N . THR A 1 6 ? 0.473 72.951 -19.267 1.00 22.44 ? 6 THR A N 1 ATOM 39 C CA . THR A 1 6 ? 0.123 72.637 -17.893 1.00 22.26 ? 6 THR A CA 1 ATOM 40 C C . THR A 1 6 ? -0.919 73.553 -17.304 1.00 22.95 ? 6 THR A C 1 ATOM 41 O O . THR A 1 6 ? -0.810 74.800 -17.357 1.00 22.21 ? 6 THR A O 1 ATOM 42 C CB . THR A 1 6 ? 1.306 72.762 -17.020 1.00 21.46 ? 6 THR A CB 1 ATOM 43 O OG1 . THR A 1 6 ? 2.419 72.168 -17.670 1.00 21.59 ? 6 THR A OG1 1 ATOM 44 C CG2 . THR A 1 6 ? 1.105 72.016 -15.684 1.00 21.04 ? 6 THR A CG2 1 ATOM 45 N N . LYS A 1 7 ? -1.919 72.961 -16.670 1.00 22.40 ? 7 LYS A N 1 ATOM 46 C CA . LYS A 1 7 ? -2.975 73.799 -16.081 1.00 23.69 ? 7 LYS A CA 1 ATOM 47 C C . LYS A 1 7 ? -2.567 74.526 -14.775 1.00 21.97 ? 7 LYS A C 1 ATOM 48 O O . LYS A 1 7 ? -1.728 74.077 -14.040 1.00 20.38 ? 7 LYS A O 1 ATOM 49 C CB . LYS A 1 7 ? -4.248 72.987 -15.889 1.00 24.23 ? 7 LYS A CB 1 ATOM 50 C CG . LYS A 1 7 ? -4.099 71.901 -14.883 1.00 25.95 ? 7 LYS A CG 1 ATOM 51 C CD . LYS A 1 7 ? -5.193 70.854 -15.085 1.00 28.60 ? 7 LYS A CD 1 ATOM 52 C CE . LYS A 1 7 ? -6.526 71.365 -14.604 1.00 32.36 ? 7 LYS A CE 1 ATOM 53 N NZ . LYS A 1 7 ? -7.388 70.391 -13.804 1.00 35.40 ? 7 LYS A NZ 1 ATOM 54 N N . GLU A 1 8 ? -3.188 75.686 -14.540 1.00 22.70 ? 8 GLU A N 1 ATOM 55 C CA . GLU A 1 8 ? -3.039 76.466 -13.318 1.00 22.05 ? 8 GLU A CA 1 ATOM 56 C C . GLU A 1 8 ? -4.166 76.081 -12.372 1.00 21.34 ? 8 GLU A C 1 ATOM 57 O O . GLU A 1 8 ? -5.341 76.133 -12.742 1.00 22.03 ? 8 GLU A O 1 ATOM 58 C CB . GLU A 1 8 ? -3.123 77.972 -13.669 1.00 23.35 ? 8 GLU A CB 1 ATOM 59 C CG . GLU A 1 8 ? -2.798 78.933 -12.534 1.00 23.18 ? 8 GLU A CG 1 ATOM 60 C CD . GLU A 1 8 ? -1.308 79.149 -12.277 1.00 24.67 ? 8 GLU A CD 1 ATOM 61 O OE1 . GLU A 1 8 ? -0.423 78.518 -12.881 1.00 20.83 ? 8 GLU A OE1 1 ATOM 62 O OE2 . GLU A 1 8 ? -0.993 79.994 -11.430 1.00 27.08 ? 8 GLU A OE2 1 ATOM 63 N N . VAL A 1 9 ? -3.836 75.707 -11.140 1.00 20.74 ? 9 VAL A N 1 ATOM 64 C CA . VAL A 1 9 ? -4.870 75.392 -10.180 1.00 20.92 ? 9 VAL A CA 1 ATOM 65 C C . VAL A 1 9 ? -4.673 76.320 -8.976 1.00 20.22 ? 9 VAL A C 1 ATOM 66 O O . VAL A 1 9 ? -3.816 76.074 -8.100 1.00 20.77 ? 9 VAL A O 1 ATOM 67 C CB . VAL A 1 9 ? -4.906 73.917 -9.781 1.00 21.57 ? 9 VAL A CB 1 ATOM 68 C CG1 . VAL A 1 9 ? -6.102 73.642 -8.853 1.00 23.96 ? 9 VAL A CG1 1 ATOM 69 C CG2 . VAL A 1 9 ? -5.034 73.042 -11.002 1.00 22.01 ? 9 VAL A CG2 1 ATOM 70 N N . HIS A 1 10 ? -5.482 77.376 -8.937 1.00 17.69 ? 10 HIS A N 1 ATOM 71 C CA . HIS A 1 10 ? -5.294 78.396 -7.911 1.00 17.17 ? 10 HIS A CA 1 ATOM 72 C C . HIS A 1 10 ? -5.906 77.941 -6.598 1.00 15.71 ? 10 HIS A C 1 ATOM 73 O O . HIS A 1 10 ? -7.077 77.594 -6.589 1.00 15.83 ? 10 HIS A O 1 ATOM 74 C CB . HIS A 1 10 ? -6.058 79.680 -8.294 1.00 16.10 ? 10 HIS A CB 1 ATOM 75 C CG . HIS A 1 10 ? -5.615 80.298 -9.569 1.00 15.52 ? 10 HIS A CG 1 ATOM 76 N ND1 . HIS A 1 10 ? -6.268 80.084 -10.758 1.00 13.07 ? 10 HIS A ND1 1 ATOM 77 C CD2 . HIS A 1 10 ? -4.612 81.158 -9.839 1.00 15.83 ? 10 HIS A CD2 1 ATOM 78 C CE1 . HIS A 1 10 ? -5.696 80.814 -11.695 1.00 18.60 ? 10 HIS A CE1 1 ATOM 79 N NE2 . HIS A 1 10 ? -4.683 81.463 -11.171 1.00 11.26 ? 10 HIS A NE2 1 ATOM 80 N N . PRO A 1 11 ? -5.216 78.101 -5.473 1.00 15.01 ? 11 PRO A N 1 ATOM 81 C CA . PRO A 1 11 ? -5.904 78.017 -4.182 1.00 14.99 ? 11 PRO A CA 1 ATOM 82 C C . PRO A 1 11 ? -7.087 79.028 -3.963 1.00 17.10 ? 11 PRO A C 1 ATOM 83 O O . PRO A 1 11 ? -7.029 80.189 -4.413 1.00 16.33 ? 11 PRO A O 1 ATOM 84 C CB . PRO A 1 11 ? -4.760 78.229 -3.199 1.00 14.55 ? 11 PRO A CB 1 ATOM 85 C CG . PRO A 1 11 ? -3.574 77.731 -3.923 1.00 11.82 ? 11 PRO A CG 1 ATOM 86 C CD . PRO A 1 11 ? -3.768 78.313 -5.292 1.00 14.68 ? 11 PRO A CD 1 ATOM 87 N N . GLN A 1 12 ? -8.171 78.552 -3.334 1.00 17.56 ? 12 GLN A N 1 ATOM 88 C CA . GLN A 1 12 ? -9.313 79.351 -2.987 1.00 17.18 ? 12 GLN A CA 1 ATOM 89 C C . GLN A 1 12 ? -9.125 79.793 -1.569 1.00 18.35 ? 12 GLN A C 1 ATOM 90 O O . GLN A 1 12 ? -8.493 79.106 -0.750 1.00 19.59 ? 12 GLN A O 1 ATOM 91 C CB . GLN A 1 12 ? -10.596 78.536 -3.126 1.00 18.69 ? 12 GLN A CB 1 ATOM 92 C CG . GLN A 1 12 ? -11.898 79.345 -2.919 1.00 18.17 ? 12 GLN A CG 1 ATOM 93 C CD . GLN A 1 12 ? -13.126 78.470 -3.103 1.00 18.51 ? 12 GLN A CD 1 ATOM 94 O OE1 . GLN A 1 12 ? -13.290 77.836 -4.119 1.00 24.11 ? 12 GLN A OE1 1 ATOM 95 N NE2 . GLN A 1 12 ? -13.988 78.470 -2.138 1.00 23.39 ? 12 GLN A NE2 1 ATOM 96 N N . LEU A 1 13 ? -9.578 81.004 -1.290 1.00 18.38 ? 13 LEU A N 1 ATOM 97 C CA . LEU A 1 13 ? -9.431 81.601 0.006 1.00 19.47 ? 13 LEU A CA 1 ATOM 98 C C . LEU A 1 13 ? -10.692 82.375 0.317 1.00 19.63 ? 13 LEU A C 1 ATOM 99 O O . LEU A 1 13 ? -11.133 83.158 -0.509 1.00 19.45 ? 13 LEU A O 1 ATOM 100 C CB . LEU A 1 13 ? -8.252 82.559 0.038 1.00 18.88 ? 13 LEU A CB 1 ATOM 101 C CG . LEU A 1 13 ? -8.015 83.112 1.437 1.00 18.76 ? 13 LEU A CG 1 ATOM 102 C CD1 . LEU A 1 13 ? -7.397 82.077 2.359 1.00 19.28 ? 13 LEU A CD1 1 ATOM 103 C CD2 . LEU A 1 13 ? -7.125 84.289 1.333 1.00 20.08 ? 13 LEU A CD2 1 ATOM 104 N N . THR A 1 14 ? -11.275 82.116 1.486 1.00 20.45 ? 14 THR A N 1 ATOM 105 C CA . THR A 1 14 ? -12.410 82.893 1.975 1.00 20.90 ? 14 THR A CA 1 ATOM 106 C C . THR A 1 14 ? -11.926 84.117 2.751 1.00 20.78 ? 14 THR A C 1 ATOM 107 O O . THR A 1 14 ? -11.135 84.016 3.696 1.00 20.59 ? 14 THR A O 1 ATOM 108 C CB . THR A 1 14 ? -13.294 82.024 2.861 1.00 21.33 ? 14 THR A CB 1 ATOM 109 O OG1 . THR A 1 14 ? -13.674 80.881 2.126 1.00 23.31 ? 14 THR A OG1 1 ATOM 110 C CG2 . THR A 1 14 ? -14.597 82.689 3.173 1.00 21.52 ? 14 THR A CG2 1 ATOM 111 N N . THR A 1 15 ? -12.331 85.280 2.257 1.00 21.52 ? 15 THR A N 1 ATOM 112 C CA . THR A 1 15 ? -12.048 86.560 2.879 1.00 20.90 ? 15 THR A CA 1 ATOM 113 C C . THR A 1 15 ? -13.404 87.162 3.236 1.00 20.71 ? 15 THR A C 1 ATOM 114 O O . THR A 1 15 ? -14.431 86.507 3.103 1.00 20.47 ? 15 THR A O 1 ATOM 115 C CB . THR A 1 15 ? -11.292 87.467 1.920 1.00 21.01 ? 15 THR A CB 1 ATOM 116 O OG1 . THR A 1 15 ? -12.131 87.749 0.787 1.00 20.48 ? 15 THR A OG1 1 ATOM 117 C CG2 . THR A 1 15 ? -10.027 86.784 1.334 1.00 20.02 ? 15 THR A CG2 1 ATOM 118 N N . PHE A 1 16 ? -13.405 88.396 3.728 1.00 21.19 ? 16 PHE A N 1 ATOM 119 C CA . PHE A 1 16 ? -14.634 89.018 4.209 1.00 22.86 ? 16 PHE A CA 1 ATOM 120 C C . PHE A 1 16 ? -14.752 90.486 3.806 1.00 22.46 ? 16 PHE A C 1 ATOM 121 O O . PHE A 1 16 ? -13.738 91.179 3.647 1.00 21.94 ? 16 PHE A O 1 ATOM 122 C CB . PHE A 1 16 ? -14.718 88.923 5.739 1.00 23.86 ? 16 PHE A CB 1 ATOM 123 C CG . PHE A 1 16 ? -14.759 87.525 6.258 1.00 24.81 ? 16 PHE A CG 1 ATOM 124 C CD1 . PHE A 1 16 ? -13.582 86.829 6.499 1.00 25.17 ? 16 PHE A CD1 1 ATOM 125 C CD2 . PHE A 1 16 ? -15.996 86.902 6.492 1.00 25.84 ? 16 PHE A CD2 1 ATOM 126 C CE1 . PHE A 1 16 ? -13.615 85.525 6.939 1.00 24.50 ? 16 PHE A CE1 1 ATOM 127 C CE2 . PHE A 1 16 ? -16.056 85.599 6.955 1.00 24.99 ? 16 PHE A CE2 1 ATOM 128 C CZ . PHE A 1 16 ? -14.857 84.901 7.185 1.00 26.27 ? 16 PHE A CZ 1 ATOM 129 N N . ARG A 1 17 ? -16.002 90.931 3.665 1.00 23.47 ? 17 ARG A N 1 ATOM 130 C CA . ARG A 1 17 ? -16.362 92.339 3.488 1.00 25.04 ? 17 ARG A CA 1 ATOM 131 C C . ARG A 1 17 ? -17.226 92.829 4.663 1.00 25.43 ? 17 ARG A C 1 ATOM 132 O O . ARG A 1 17 ? -18.236 92.230 4.967 1.00 24.84 ? 17 ARG A O 1 ATOM 133 C CB . ARG A 1 17 ? -17.178 92.523 2.190 1.00 25.11 ? 17 ARG A CB 1 ATOM 134 C CG . ARG A 1 17 ? -16.496 92.023 0.898 1.00 24.45 ? 17 ARG A CG 1 ATOM 135 C CD . ARG A 1 17 ? -15.106 92.563 0.611 1.00 20.39 ? 17 ARG A CD 1 ATOM 136 N NE . ARG A 1 17 ? -14.528 91.787 -0.516 1.00 21.02 ? 17 ARG A NE 1 ATOM 137 C CZ . ARG A 1 17 ? -13.894 90.625 -0.392 1.00 18.98 ? 17 ARG A CZ 1 ATOM 138 N NH1 . ARG A 1 17 ? -13.699 90.088 0.790 1.00 20.62 ? 17 ARG A NH1 1 ATOM 139 N NH2 . ARG A 1 17 ? -13.410 90.003 -1.449 1.00 18.17 ? 17 ARG A NH2 1 ATOM 140 N N . CYS A 1 18 ? -16.853 93.952 5.263 1.00 26.63 ? 18 CYS A N 1 ATOM 141 C CA . CYS A 1 18 ? -17.464 94.393 6.499 1.00 28.65 ? 18 CYS A CA 1 ATOM 142 C C . CYS A 1 18 ? -18.160 95.788 6.488 1.00 29.28 ? 18 CYS A C 1 ATOM 143 O O . CYS A 1 18 ? -17.715 96.751 5.860 1.00 27.28 ? 18 CYS A O 1 ATOM 144 C CB . CYS A 1 18 ? -16.418 94.355 7.615 1.00 29.15 ? 18 CYS A CB 1 ATOM 145 S SG . CYS A 1 18 ? -15.261 92.928 7.566 1.00 33.67 ? 18 CYS A SG 1 ATOM 146 N N . THR A 1 19 ? -19.240 95.852 7.251 1.00 30.78 ? 19 THR A N 1 ATOM 147 C CA . THR A 1 19 ? -19.974 97.076 7.516 1.00 32.65 ? 19 THR A CA 1 ATOM 148 C C . THR A 1 19 ? -20.396 97.038 8.989 1.00 34.15 ? 19 THR A C 1 ATOM 149 O O . THR A 1 19 ? -20.459 95.949 9.593 1.00 32.45 ? 19 THR A O 1 ATOM 150 C CB . THR A 1 19 ? -21.239 97.126 6.663 1.00 31.98 ? 19 THR A CB 1 ATOM 151 O OG1 . THR A 1 19 ? -21.955 95.907 6.805 1.00 32.89 ? 19 THR A OG1 1 ATOM 152 C CG2 . THR A 1 19 ? -20.917 97.149 5.179 1.00 33.23 ? 19 THR A CG2 1 ATOM 153 N N . LYS A 1 20 ? -20.686 98.223 9.552 1.00 36.13 ? 20 LYS A N 1 ATOM 154 C CA . LYS A 1 20 ? -21.218 98.338 10.923 1.00 37.68 ? 20 LYS A CA 1 ATOM 155 C C . LYS A 1 20 ? -22.566 97.587 10.983 1.00 39.00 ? 20 LYS A C 1 ATOM 156 O O . LYS A 1 20 ? -22.851 96.789 11.890 1.00 38.06 ? 20 LYS A O 1 ATOM 157 C CB . LYS A 1 20 ? -21.399 99.814 11.306 1.00 38.44 ? 20 LYS A CB 1 ATOM 158 C CG . LYS A 1 20 ? -20.072 100.617 11.441 1.00 40.59 ? 20 LYS A CG 1 ATOM 159 C CD . LYS A 1 20 ? -19.490 100.573 12.851 1.00 42.06 ? 20 LYS A CD 1 ATOM 160 C CE . LYS A 1 20 ? -19.861 101.829 13.686 1.00 44.42 ? 20 LYS A CE 1 ATOM 161 N NZ . LYS A 1 20 ? -18.703 102.326 14.522 1.00 43.54 ? 20 LYS A NZ 1 ATOM 162 N N . ARG A 1 21 ? -23.349 97.851 9.946 1.00 40.46 ? 21 ARG A N 1 ATOM 163 C CA . ARG A 1 21 ? -24.717 97.390 9.794 1.00 41.03 ? 21 ARG A CA 1 ATOM 164 C C . ARG A 1 21 ? -24.789 95.855 9.693 1.00 40.21 ? 21 ARG A C 1 ATOM 165 O O . ARG A 1 21 ? -25.404 95.215 10.518 1.00 40.63 ? 21 ARG A O 1 ATOM 166 C CB . ARG A 1 21 ? -25.265 98.079 8.532 1.00 42.17 ? 21 ARG A CB 1 ATOM 167 C CG . ARG A 1 21 ? -26.744 98.039 8.276 1.00 44.01 ? 21 ARG A CG 1 ATOM 168 C CD . ARG A 1 21 ? -27.112 98.849 7.000 1.00 46.45 ? 21 ARG A CD 1 ATOM 169 N NE . ARG A 1 21 ? -28.530 98.705 6.625 1.00 50.29 ? 21 ARG A NE 1 ATOM 170 C CZ . ARG A 1 21 ? -29.228 99.552 5.843 1.00 51.63 ? 21 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 21 ? -28.673 100.663 5.321 1.00 53.78 ? 21 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 21 ? -30.510 99.287 5.589 1.00 53.16 ? 21 ARG A NH2 1 ATOM 173 N N . GLY A 1 22 ? -24.127 95.261 8.707 1.00 38.98 ? 22 GLY A N 1 ATOM 174 C CA . GLY A 1 22 ? -24.257 93.827 8.479 1.00 37.97 ? 22 GLY A CA 1 ATOM 175 C C . GLY A 1 22 ? -23.100 92.981 8.983 1.00 36.74 ? 22 GLY A C 1 ATOM 176 O O . GLY A 1 22 ? -23.121 91.750 8.826 1.00 36.01 ? 22 GLY A O 1 ATOM 177 N N . GLY A 1 23 ? -22.097 93.630 9.575 1.00 35.33 ? 23 GLY A N 1 ATOM 178 C CA . GLY A 1 23 ? -20.882 92.922 10.006 1.00 35.28 ? 23 GLY A CA 1 ATOM 179 C C . GLY A 1 23 ? -20.054 92.344 8.845 1.00 34.28 ? 23 GLY A C 1 ATOM 180 O O . GLY A 1 23 ? -20.137 92.811 7.711 1.00 33.71 ? 23 GLY A O 1 ATOM 181 N N . CYS A 1 24 ? -19.266 91.319 9.154 1.00 33.67 ? 24 CYS A N 1 ATOM 182 C CA . CYS A 1 24 ? -18.422 90.616 8.175 1.00 33.83 ? 24 CYS A CA 1 ATOM 183 C C . CYS A 1 24 ? -19.143 89.546 7.403 1.00 33.06 ? 24 CYS A C 1 ATOM 184 O O . CYS A 1 24 ? -19.630 88.618 8.005 1.00 33.93 ? 24 CYS A O 1 ATOM 185 C CB . CYS A 1 24 ? -17.292 89.899 8.881 1.00 33.69 ? 24 CYS A CB 1 ATOM 186 S SG . CYS A 1 24 ? -16.321 91.057 9.812 1.00 39.11 ? 24 CYS A SG 1 ATOM 187 N N . LYS A 1 25 ? -19.159 89.644 6.077 1.00 31.57 ? 25 LYS A N 1 ATOM 188 C CA . LYS A 1 25 ? -19.852 88.661 5.271 1.00 30.89 ? 25 LYS A CA 1 ATOM 189 C C . LYS A 1 25 ? -18.823 88.029 4.292 1.00 29.55 ? 25 LYS A C 1 ATOM 190 O O . LYS A 1 25 ? -17.948 88.728 3.734 1.00 28.16 ? 25 LYS A O 1 ATOM 191 C CB . LYS A 1 25 ? -21.044 89.306 4.546 1.00 31.83 ? 25 LYS A CB 1 ATOM 192 C CG . LYS A 1 25 ? -22.018 90.118 5.430 1.00 31.90 ? 25 LYS A CG 1 ATOM 193 C CD . LYS A 1 25 ? -23.057 90.868 4.541 1.00 33.85 ? 25 LYS A CD 1 ATOM 194 C CE . LYS A 1 25 ? -24.470 90.808 5.120 1.00 36.64 ? 25 LYS A CE 1 ATOM 195 N NZ . LYS A 1 25 ? -24.743 89.463 5.792 1.00 39.91 ? 25 LYS A NZ 1 ATOM 196 N N . PRO A 1 26 ? -18.874 86.700 4.180 1.00 28.24 ? 26 PRO A N 1 ATOM 197 C CA . PRO A 1 26 ? -17.830 85.948 3.512 1.00 27.40 ? 26 PRO A CA 1 ATOM 198 C C . PRO A 1 26 ? -17.828 86.127 2.005 1.00 26.62 ? 26 PRO A C 1 ATOM 199 O O . PRO A 1 26 ? -18.862 86.331 1.398 1.00 26.28 ? 26 PRO A O 1 ATOM 200 C CB . PRO A 1 26 ? -18.154 84.499 3.890 1.00 27.93 ? 26 PRO A CB 1 ATOM 201 C CG . PRO A 1 26 ? -19.603 84.477 4.118 1.00 27.87 ? 26 PRO A CG 1 ATOM 202 C CD . PRO A 1 26 ? -19.932 85.814 4.726 1.00 27.65 ? 26 PRO A CD 1 ATOM 203 N N . ALA A 1 27 ? -16.643 86.060 1.422 1.00 26.12 ? 27 ALA A N 1 ATOM 204 C CA . ALA A 1 27 ? -16.446 86.242 -0.003 1.00 25.39 ? 27 ALA A CA 1 ATOM 205 C C . ALA A 1 27 ? -15.440 85.207 -0.535 1.00 24.56 ? 27 ALA A C 1 ATOM 206 O O . ALA A 1 27 ? -14.547 84.767 0.186 1.00 23.45 ? 27 ALA A O 1 ATOM 207 C CB . ALA A 1 27 ? -15.940 87.651 -0.261 1.00 25.35 ? 27 ALA A CB 1 ATOM 208 N N . THR A 1 28 ? -15.589 84.820 -1.794 1.00 23.47 ? 28 THR A N 1 ATOM 209 C CA . THR A 1 28 ? -14.642 83.916 -2.408 1.00 23.44 ? 28 THR A CA 1 ATOM 210 C C . THR A 1 28 ? -13.589 84.656 -3.197 1.00 22.40 ? 28 THR A C 1 ATOM 211 O O . THR A 1 28 ? -13.890 85.502 -4.041 1.00 22.51 ? 28 THR A O 1 ATOM 212 C CB . THR A 1 28 ? -15.320 82.952 -3.357 1.00 23.35 ? 28 THR A CB 1 ATOM 213 O OG1 . THR A 1 28 ? -16.319 82.254 -2.657 1.00 22.50 ? 28 THR A OG1 1 ATOM 214 C CG2 . THR A 1 28 ? -14.345 81.837 -3.762 1.00 23.86 ? 28 THR A CG2 1 ATOM 215 N N . ASN A 1 29 ? -12.350 84.289 -2.918 1.00 20.40 ? 29 ASN A N 1 ATOM 216 C CA . ASN A 1 29 ? -11.229 84.786 -3.639 1.00 18.38 ? 29 ASN A CA 1 ATOM 217 C C . ASN A 1 29 ? -10.280 83.616 -3.962 1.00 17.36 ? 29 ASN A C 1 ATOM 218 O O . ASN A 1 29 ? -10.427 82.524 -3.406 1.00 15.79 ? 29 ASN A O 1 ATOM 219 C CB . ASN A 1 29 ? -10.532 85.826 -2.781 1.00 18.72 ? 29 ASN A CB 1 ATOM 220 C CG . ASN A 1 29 ? -11.279 87.138 -2.758 1.00 21.25 ? 29 ASN A CG 1 ATOM 221 O OD1 . ASN A 1 29 ? -11.903 87.473 -1.757 1.00 17.82 ? 29 ASN A OD1 1 ATOM 222 N ND2 . ASN A 1 29 ? -11.227 87.881 -3.870 1.00 18.29 ? 29 ASN A ND2 1 ATOM 223 N N . PHE A 1 30 ? -9.323 83.858 -4.851 1.00 15.65 ? 30 PHE A N 1 ATOM 224 C CA . PHE A 1 30 ? -8.346 82.834 -5.266 1.00 16.68 ? 30 PHE A CA 1 ATOM 225 C C . PHE A 1 30 ? -6.997 83.456 -5.110 1.00 16.76 ? 30 PHE A C 1 ATOM 226 O O . PHE A 1 30 ? -6.871 84.701 -4.953 1.00 16.85 ? 30 PHE A O 1 ATOM 227 C CB . PHE A 1 30 ? -8.601 82.325 -6.695 1.00 15.33 ? 30 PHE A CB 1 ATOM 228 C CG . PHE A 1 30 ? -9.903 81.592 -6.819 1.00 16.68 ? 30 PHE A CG 1 ATOM 229 C CD1 . PHE A 1 30 ? -11.084 82.263 -7.135 1.00 17.47 ? 30 PHE A CD1 1 ATOM 230 C CD2 . PHE A 1 30 ? -9.972 80.243 -6.534 1.00 17.25 ? 30 PHE A CD2 1 ATOM 231 C CE1 . PHE A 1 30 ? -12.314 81.592 -7.149 1.00 14.66 ? 30 PHE A CE1 1 ATOM 232 C CE2 . PHE A 1 30 ? -11.178 79.575 -6.599 1.00 16.63 ? 30 PHE A CE2 1 ATOM 233 C CZ . PHE A 1 30 ? -12.359 80.275 -6.893 1.00 14.99 ? 30 PHE A CZ 1 ATOM 234 N N . ILE A 1 31 ? -6.007 82.599 -5.127 1.00 15.91 ? 31 ILE A N 1 ATOM 235 C CA . ILE A 1 31 ? -4.637 82.977 -4.901 1.00 15.71 ? 31 ILE A CA 1 ATOM 236 C C . ILE A 1 31 ? -3.811 82.594 -6.109 1.00 15.20 ? 31 ILE A C 1 ATOM 237 O O . ILE A 1 31 ? -3.951 81.479 -6.609 1.00 13.17 ? 31 ILE A O 1 ATOM 238 C CB . ILE A 1 31 ? -4.112 82.245 -3.647 1.00 17.08 ? 31 ILE A CB 1 ATOM 239 C CG1 . ILE A 1 31 ? -4.789 82.778 -2.387 1.00 17.83 ? 31 ILE A CG1 1 ATOM 240 C CG2 . ILE A 1 31 ? -2.620 82.427 -3.480 1.00 16.61 ? 31 ILE A CG2 1 ATOM 241 C CD1 . ILE A 1 31 ? -4.427 84.256 -2.018 1.00 20.65 ? 31 ILE A CD1 1 ATOM 242 N N . VAL A 1 32 ? -2.915 83.502 -6.524 1.00 13.86 ? 32 VAL A N 1 ATOM 243 C CA . VAL A 1 32 ? -2.006 83.280 -7.650 1.00 13.85 ? 32 VAL A CA 1 ATOM 244 C C . VAL A 1 32 ? -0.563 83.696 -7.396 1.00 13.17 ? 32 VAL A C 1 ATOM 245 O O . VAL A 1 32 ? -0.294 84.745 -6.785 1.00 11.30 ? 32 VAL A O 1 ATOM 246 C CB . VAL A 1 32 ? -2.531 84.001 -8.918 1.00 14.38 ? 32 VAL A CB 1 ATOM 247 C CG1 . VAL A 1 32 ? -2.350 85.534 -8.799 1.00 16.21 ? 32 VAL A CG1 1 ATOM 248 C CG2 . VAL A 1 32 ? -1.872 83.484 -10.160 1.00 14.80 ? 32 VAL A CG2 1 ATOM 249 N N . LEU A 1 33 ? 0.372 82.841 -7.821 1.00 12.59 ? 33 LEU A N 1 ATOM 250 C CA . LEU A 1 33 ? 1.785 83.108 -7.688 1.00 13.47 ? 33 LEU A CA 1 ATOM 251 C C . LEU A 1 33 ? 2.272 84.073 -8.720 1.00 13.34 ? 33 LEU A C 1 ATOM 252 O O . LEU A 1 33 ? 1.730 84.148 -9.777 1.00 13.31 ? 33 LEU A O 1 ATOM 253 C CB . LEU A 1 33 ? 2.642 81.842 -7.902 1.00 13.12 ? 33 LEU A CB 1 ATOM 254 C CG . LEU A 1 33 ? 2.799 81.094 -6.585 1.00 17.10 ? 33 LEU A CG 1 ATOM 255 C CD1 . LEU A 1 33 ? 2.963 79.597 -6.875 1.00 21.32 ? 33 LEU A CD1 1 ATOM 256 C CD2 . LEU A 1 33 ? 3.958 81.700 -5.770 1.00 16.69 ? 33 LEU A CD2 1 ATOM 257 N N . ASP A 1 34 ? 3.360 84.749 -8.434 1.00 14.63 ? 34 ASP A N 1 ATOM 258 C CA . ASP A 1 34 ? 3.901 85.689 -9.389 1.00 15.42 ? 34 ASP A CA 1 ATOM 259 C C . ASP A 1 34 ? 4.166 84.989 -10.726 1.00 16.50 ? 34 ASP A C 1 ATOM 260 O O . ASP A 1 34 ? 4.633 83.821 -10.755 1.00 18.15 ? 34 ASP A O 1 ATOM 261 C CB . ASP A 1 34 ? 5.189 86.293 -8.862 1.00 15.48 ? 34 ASP A CB 1 ATOM 262 C CG . ASP A 1 34 ? 5.754 87.327 -9.825 1.00 15.73 ? 34 ASP A CG 1 ATOM 263 O OD1 . ASP A 1 34 ? 5.107 88.412 -9.951 1.00 15.11 ? 34 ASP A OD1 1 ATOM 264 O OD2 . ASP A 1 34 ? 6.765 87.101 -10.529 1.00 11.18 ? 34 ASP A OD2 1 ATOM 265 N N . SER A 1 35 ? 3.880 85.671 -11.831 1.00 16.27 ? 35 SER A N 1 ATOM 266 C CA . SER A 1 35 ? 4.125 85.102 -13.163 1.00 16.17 ? 35 SER A CA 1 ATOM 267 C C . SER A 1 35 ? 5.511 84.473 -13.308 1.00 16.44 ? 35 SER A C 1 ATOM 268 O O . SER A 1 35 ? 5.621 83.294 -13.743 1.00 16.98 ? 35 SER A O 1 ATOM 269 C CB . SER A 1 35 ? 3.862 86.156 -14.276 1.00 16.91 ? 35 SER A CB 1 ATOM 270 O OG . SER A 1 35 ? 4.833 87.223 -14.251 1.00 15.33 ? 35 SER A OG 1 ATOM 271 N N . LEU A 1 36 ? 6.547 85.201 -12.892 1.00 16.13 ? 36 LEU A N 1 ATOM 272 C CA . LEU A 1 36 ? 7.930 84.796 -13.060 1.00 18.09 ? 36 LEU A CA 1 ATOM 273 C C . LEU A 1 36 ? 8.405 83.749 -12.061 1.00 18.49 ? 36 LEU A C 1 ATOM 274 O O . LEU A 1 36 ? 9.522 83.268 -12.165 1.00 18.45 ? 36 LEU A O 1 ATOM 275 C CB . LEU A 1 36 ? 8.895 86.033 -13.055 1.00 19.63 ? 36 LEU A CB 1 ATOM 276 C CG . LEU A 1 36 ? 8.598 87.053 -14.178 1.00 20.76 ? 36 LEU A CG 1 ATOM 277 C CD1 . LEU A 1 36 ? 9.373 88.331 -14.079 1.00 22.17 ? 36 LEU A CD1 1 ATOM 278 C CD2 . LEU A 1 36 ? 8.845 86.401 -15.520 1.00 23.12 ? 36 LEU A CD2 1 ATOM 279 N N . SER A 1 37 ? 7.546 83.417 -11.097 1.00 19.15 ? 37 SER A N 1 ATOM 280 C CA . SER A 1 37 ? 7.715 82.278 -10.220 1.00 20.03 ? 37 SER A CA 1 ATOM 281 C C . SER A 1 37 ? 7.155 80.997 -10.825 1.00 19.95 ? 37 SER A C 1 ATOM 282 O O . SER A 1 37 ? 7.461 79.927 -10.337 1.00 20.88 ? 37 SER A O 1 ATOM 283 C CB . SER A 1 37 ? 7.020 82.529 -8.891 1.00 20.17 ? 37 SER A CB 1 ATOM 284 O OG . SER A 1 37 ? 7.572 83.698 -8.310 1.00 25.19 ? 37 SER A OG 1 ATOM 285 N N . HIS A 1 38 ? 6.313 81.114 -11.851 1.00 20.30 ? 38 HIS A N 1 ATOM 286 C CA . HIS A 1 38 ? 5.887 79.954 -12.619 1.00 19.29 ? 38 HIS A CA 1 ATOM 287 C C . HIS A 1 38 ? 7.079 79.383 -13.393 1.00 19.92 ? 38 HIS A C 1 ATOM 288 O O . HIS A 1 38 ? 8.045 80.073 -13.634 1.00 22.32 ? 38 HIS A O 1 ATOM 289 C CB . HIS A 1 38 ? 4.777 80.304 -13.598 1.00 18.13 ? 38 HIS A CB 1 ATOM 290 C CG . HIS A 1 38 ? 3.475 80.628 -12.961 1.00 16.33 ? 38 HIS A CG 1 ATOM 291 N ND1 . HIS A 1 38 ? 3.296 81.736 -12.158 1.00 15.35 ? 38 HIS A ND1 1 ATOM 292 C CD2 . HIS A 1 38 ? 2.277 80.001 -13.022 1.00 14.20 ? 38 HIS A CD2 1 ATOM 293 C CE1 . HIS A 1 38 ? 2.039 81.756 -11.741 1.00 16.81 ? 38 HIS A CE1 1 ATOM 294 N NE2 . HIS A 1 38 ? 1.401 80.714 -12.243 1.00 13.68 ? 38 HIS A NE2 1 ATOM 295 N N . PRO A 1 39 ? 7.047 78.117 -13.784 1.00 19.57 ? 39 PRO A N 1 ATOM 296 C CA . PRO A 1 39 ? 8.096 77.600 -14.658 1.00 19.83 ? 39 PRO A CA 1 ATOM 297 C C . PRO A 1 39 ? 8.137 78.313 -16.001 1.00 18.98 ? 39 PRO A C 1 ATOM 298 O O . PRO A 1 39 ? 7.126 78.391 -16.694 1.00 18.93 ? 39 PRO A O 1 ATOM 299 C CB . PRO A 1 39 ? 7.699 76.111 -14.843 1.00 19.92 ? 39 PRO A CB 1 ATOM 300 C CG . PRO A 1 39 ? 6.892 75.798 -13.655 1.00 18.44 ? 39 PRO A CG 1 ATOM 301 C CD . PRO A 1 39 ? 6.095 77.070 -13.398 1.00 19.50 ? 39 PRO A CD 1 ATOM 302 N N . ILE A 1 40 ? 9.289 78.848 -16.348 1.00 19.79 ? 40 ILE A N 1 ATOM 303 C CA . ILE A 1 40 ? 9.446 79.510 -17.623 1.00 20.71 ? 40 ILE A CA 1 ATOM 304 C C . ILE A 1 40 ? 10.533 78.808 -18.399 1.00 20.47 ? 40 ILE A C 1 ATOM 305 O O . ILE A 1 40 ? 11.601 78.606 -17.875 1.00 20.70 ? 40 ILE A O 1 ATOM 306 C CB . ILE A 1 40 ? 9.894 80.972 -17.493 1.00 20.92 ? 40 ILE A CB 1 ATOM 307 C CG1 . ILE A 1 40 ? 9.093 81.768 -16.467 1.00 24.08 ? 40 ILE A CG1 1 ATOM 308 C CG2 . ILE A 1 40 ? 9.855 81.645 -18.880 1.00 22.07 ? 40 ILE A CG2 1 ATOM 309 C CD1 . ILE A 1 40 ? 7.697 82.079 -16.822 1.00 24.42 ? 40 ILE A CD1 1 ATOM 310 N N . HIS A 1 41 ? 10.300 78.555 -19.675 1.00 20.10 ? 41 HIS A N 1 ATOM 311 C CA . HIS A 1 41 ? 11.214 77.798 -20.474 1.00 20.46 ? 41 HIS A CA 1 ATOM 312 C C . HIS A 1 41 ? 10.969 78.226 -21.882 1.00 21.38 ? 41 HIS A C 1 ATOM 313 O O . HIS A 1 41 ? 10.036 78.983 -22.159 1.00 19.73 ? 41 HIS A O 1 ATOM 314 C CB . HIS A 1 41 ? 11.033 76.272 -20.270 1.00 20.69 ? 41 HIS A CB 1 ATOM 315 C CG . HIS A 1 41 ? 9.748 75.713 -20.810 1.00 18.73 ? 41 HIS A CG 1 ATOM 316 N ND1 . HIS A 1 41 ? 9.550 75.451 -22.154 1.00 21.80 ? 41 HIS A ND1 1 ATOM 317 C CD2 . HIS A 1 41 ? 8.596 75.374 -20.191 1.00 19.52 ? 41 HIS A CD2 1 ATOM 318 C CE1 . HIS A 1 41 ? 8.325 74.972 -22.329 1.00 19.73 ? 41 HIS A CE1 1 ATOM 319 N NE2 . HIS A 1 41 ? 7.719 74.940 -21.156 1.00 18.10 ? 41 HIS A NE2 1 ATOM 320 N N . ARG A 1 42 ? 11.842 77.769 -22.767 1.00 22.91 ? 42 ARG A N 1 ATOM 321 C CA . ARG A 1 42 ? 11.807 78.133 -24.192 1.00 24.37 ? 42 ARG A CA 1 ATOM 322 C C . ARG A 1 42 ? 10.911 77.204 -25.017 1.00 24.53 ? 42 ARG A C 1 ATOM 323 O O . ARG A 1 42 ? 10.699 76.063 -24.636 1.00 24.47 ? 42 ARG A O 1 ATOM 324 C CB . ARG A 1 42 ? 13.227 78.106 -24.755 1.00 24.43 ? 42 ARG A CB 1 ATOM 325 C CG . ARG A 1 42 ? 14.155 79.016 -23.951 1.00 26.02 ? 42 ARG A CG 1 ATOM 326 C CD . ARG A 1 42 ? 15.463 79.231 -24.556 1.00 25.35 ? 42 ARG A CD 1 ATOM 327 N NE . ARG A 1 42 ? 16.247 80.120 -23.717 1.00 27.73 ? 42 ARG A NE 1 ATOM 328 C CZ . ARG A 1 42 ? 17.353 80.755 -24.104 1.00 29.28 ? 42 ARG A CZ 1 ATOM 329 N NH1 . ARG A 1 42 ? 17.852 80.590 -25.321 1.00 29.30 ? 42 ARG A NH1 1 ATOM 330 N NH2 . ARG A 1 42 ? 17.958 81.579 -23.252 1.00 31.61 ? 42 ARG A NH2 1 ATOM 331 N N . ALA A 1 43 ? 10.402 77.709 -26.138 1.00 25.62 ? 43 ALA A N 1 ATOM 332 C CA . ALA A 1 43 ? 9.525 76.926 -26.982 1.00 28.45 ? 43 ALA A CA 1 ATOM 333 C C . ALA A 1 43 ? 10.327 75.791 -27.644 1.00 29.85 ? 43 ALA A C 1 ATOM 334 O O . ALA A 1 43 ? 11.568 75.846 -27.683 1.00 28.27 ? 43 ALA A O 1 ATOM 335 C CB . ALA A 1 43 ? 8.844 77.795 -28.020 1.00 28.24 ? 43 ALA A CB 1 ATOM 336 N N . GLU A 1 44 ? 9.609 74.776 -28.121 1.00 31.80 ? 44 GLU A N 1 ATOM 337 C CA . GLU A 1 44 ? 10.224 73.556 -28.670 1.00 34.57 ? 44 GLU A CA 1 ATOM 338 C C . GLU A 1 44 ? 11.232 73.903 -29.751 1.00 35.05 ? 44 GLU A C 1 ATOM 339 O O . GLU A 1 44 ? 10.933 74.657 -30.666 1.00 36.33 ? 44 GLU A O 1 ATOM 340 C CB . GLU A 1 44 ? 9.153 72.609 -29.248 1.00 35.11 ? 44 GLU A CB 1 ATOM 341 C CG . GLU A 1 44 ? 8.876 71.369 -28.405 1.00 38.45 ? 44 GLU A CG 1 ATOM 342 C CD . GLU A 1 44 ? 7.461 70.793 -28.633 1.00 40.68 ? 44 GLU A CD 1 ATOM 343 O OE1 . GLU A 1 44 ? 6.472 71.583 -28.693 1.00 48.49 ? 44 GLU A OE1 1 ATOM 344 O OE2 . GLU A 1 44 ? 7.308 69.545 -28.723 1.00 48.18 ? 44 GLU A OE2 1 ATOM 345 N N . GLY A 1 45 ? 12.447 73.385 -29.621 1.00 36.55 ? 45 GLY A N 1 ATOM 346 C CA . GLY A 1 45 ? 13.477 73.544 -30.641 1.00 36.42 ? 45 GLY A CA 1 ATOM 347 C C . GLY A 1 45 ? 14.468 74.626 -30.302 1.00 37.05 ? 45 GLY A C 1 ATOM 348 O O . GLY A 1 45 ? 15.493 74.762 -30.966 1.00 37.27 ? 45 GLY A O 1 ATOM 349 N N . LEU A 1 46 ? 14.179 75.398 -29.261 1.00 36.93 ? 46 LEU A N 1 ATOM 350 C CA . LEU A 1 46 ? 15.046 76.514 -28.894 1.00 36.93 ? 46 LEU A CA 1 ATOM 351 C C . LEU A 1 46 ? 15.982 76.137 -27.752 1.00 37.45 ? 46 LEU A C 1 ATOM 352 O O . LEU A 1 46 ? 16.779 76.964 -27.306 1.00 36.94 ? 46 LEU A O 1 ATOM 353 C CB . LEU A 1 46 ? 14.184 77.731 -28.536 1.00 36.53 ? 46 LEU A CB 1 ATOM 354 C CG . LEU A 1 46 ? 13.252 78.224 -29.649 1.00 36.65 ? 46 LEU A CG 1 ATOM 355 C CD1 . LEU A 1 46 ? 12.598 79.486 -29.250 1.00 38.10 ? 46 LEU A CD1 1 ATOM 356 C CD2 . LEU A 1 46 ? 13.980 78.464 -30.972 1.00 38.23 ? 46 LEU A CD2 1 ATOM 357 N N . GLY A 1 47 ? 15.877 74.886 -27.277 1.00 38.36 ? 47 GLY A N 1 ATOM 358 C CA . GLY A 1 47 ? 16.832 74.311 -26.326 1.00 38.34 ? 47 GLY A CA 1 ATOM 359 C C . GLY A 1 47 ? 16.585 74.628 -24.852 1.00 39.23 ? 47 GLY A C 1 ATOM 360 O O . GLY A 1 47 ? 15.466 75.002 -24.454 1.00 39.01 ? 47 GLY A O 1 ATOM 361 N N . PRO A 1 48 ? 17.623 74.455 -24.032 1.00 39.43 ? 48 PRO A N 1 ATOM 362 C CA . PRO A 1 48 ? 17.518 74.697 -22.617 1.00 39.02 ? 48 PRO A CA 1 ATOM 363 C C . PRO A 1 48 ? 17.708 76.183 -22.335 1.00 39.08 ? 48 PRO A C 1 ATOM 364 O O . PRO A 1 48 ? 18.287 76.911 -23.144 1.00 39.22 ? 48 PRO A O 1 ATOM 365 C CB . PRO A 1 48 ? 18.693 73.904 -22.054 1.00 39.29 ? 48 PRO A CB 1 ATOM 366 C CG . PRO A 1 48 ? 19.731 74.042 -23.074 1.00 39.49 ? 48 PRO A CG 1 ATOM 367 C CD . PRO A 1 48 ? 18.992 74.042 -24.399 1.00 39.84 ? 48 PRO A CD 1 ATOM 368 N N . GLY A 1 49 ? 17.263 76.613 -21.170 1.00 38.28 ? 49 GLY A N 1 ATOM 369 C CA . GLY A 1 49 ? 17.365 78.011 -20.812 1.00 37.83 ? 49 GLY A CA 1 ATOM 370 C C . GLY A 1 49 ? 16.010 78.503 -20.380 1.00 36.41 ? 49 GLY A C 1 ATOM 371 O O . GLY A 1 49 ? 14.962 77.939 -20.748 1.00 36.04 ? 49 GLY A O 1 ATOM 372 N N . GLY A 1 50 ? 16.048 79.529 -19.541 1.00 34.44 ? 50 GLY A N 1 ATOM 373 C CA . GLY A 1 50 ? 14.869 80.293 -19.236 1.00 32.35 ? 50 GLY A CA 1 ATOM 374 C C . GLY A 1 50 ? 14.916 81.509 -20.133 1.00 31.37 ? 50 GLY A C 1 ATOM 375 O O . GLY A 1 50 ? 15.633 81.539 -21.140 1.00 30.76 ? 50 GLY A O 1 ATOM 376 N N . CYS A 1 51 ? 14.166 82.522 -19.721 1.00 30.17 ? 51 CYS A N 1 ATOM 377 C CA . CYS A 1 51 ? 14.033 83.749 -20.462 1.00 29.58 ? 51 CYS A CA 1 ATOM 378 C C . CYS A 1 51 ? 14.439 84.962 -19.618 1.00 28.37 ? 51 CYS A C 1 ATOM 379 O O . CYS A 1 51 ? 13.804 86.029 -19.704 1.00 27.07 ? 51 CYS A O 1 ATOM 380 C CB . CYS A 1 51 ? 12.593 83.876 -20.929 1.00 29.43 ? 51 CYS A CB 1 ATOM 381 S SG . CYS A 1 51 ? 12.255 82.697 -22.260 1.00 31.93 ? 51 CYS A SG 1 ATOM 382 N N . GLY A 1 52 ? 15.483 84.758 -18.808 1.00 27.34 ? 52 GLY A N 1 ATOM 383 C CA . GLY A 1 52 ? 16.177 85.814 -18.105 1.00 27.77 ? 52 GLY A CA 1 ATOM 384 C C . GLY A 1 52 ? 15.964 85.757 -16.614 1.00 27.49 ? 52 GLY A C 1 ATOM 385 O O . GLY A 1 52 ? 14.952 85.244 -16.149 1.00 26.29 ? 52 GLY A O 1 ATOM 386 N N . ASP A 1 53 ? 16.931 86.306 -15.877 1.00 27.43 ? 53 ASP A N 1 ATOM 387 C CA . ASP A 1 53 ? 16.934 86.287 -14.414 1.00 27.72 ? 53 ASP A CA 1 ATOM 388 C C . ASP A 1 53 ? 16.485 87.658 -13.911 1.00 26.96 ? 53 ASP A C 1 ATOM 389 O O . ASP A 1 53 ? 16.733 88.682 -14.566 1.00 25.75 ? 53 ASP A O 1 ATOM 390 C CB . ASP A 1 53 ? 18.354 86.067 -13.841 1.00 28.90 ? 53 ASP A CB 1 ATOM 391 C CG . ASP A 1 53 ? 19.018 84.822 -14.343 1.00 32.06 ? 53 ASP A CG 1 ATOM 392 O OD1 . ASP A 1 53 ? 18.361 83.736 -14.362 1.00 37.02 ? 53 ASP A OD1 1 ATOM 393 O OD2 . ASP A 1 53 ? 20.212 84.845 -14.710 1.00 35.61 ? 53 ASP A OD2 1 ATOM 394 N N . TRP A 1 54 ? 15.878 87.656 -12.737 1.00 26.06 ? 54 TRP A N 1 ATOM 395 C CA . TRP A 1 54 ? 15.550 88.884 -12.038 1.00 27.00 ? 54 TRP A CA 1 ATOM 396 C C . TRP A 1 54 ? 16.689 89.890 -12.194 1.00 26.35 ? 54 TRP A C 1 ATOM 397 O O . TRP A 1 54 ? 17.887 89.517 -12.083 1.00 26.87 ? 54 TRP A O 1 ATOM 398 C CB . TRP A 1 54 ? 15.327 88.575 -10.554 1.00 27.81 ? 54 TRP A CB 1 ATOM 399 C CG . TRP A 1 54 ? 14.867 89.750 -9.805 1.00 29.82 ? 54 TRP A CG 1 ATOM 400 C CD1 . TRP A 1 54 ? 13.594 90.229 -9.738 1.00 29.60 ? 54 TRP A CD1 1 ATOM 401 C CD2 . TRP A 1 54 ? 15.677 90.652 -9.035 1.00 31.24 ? 54 TRP A CD2 1 ATOM 402 N NE1 . TRP A 1 54 ? 13.557 91.353 -8.950 1.00 30.96 ? 54 TRP A NE1 1 ATOM 403 C CE2 . TRP A 1 54 ? 14.827 91.651 -8.533 1.00 29.81 ? 54 TRP A CE2 1 ATOM 404 C CE3 . TRP A 1 54 ? 17.036 90.712 -8.720 1.00 30.77 ? 54 TRP A CE3 1 ATOM 405 C CZ2 . TRP A 1 54 ? 15.274 92.663 -7.720 1.00 29.96 ? 54 TRP A CZ2 1 ATOM 406 C CZ3 . TRP A 1 54 ? 17.487 91.742 -7.954 1.00 30.49 ? 54 TRP A CZ3 1 ATOM 407 C CH2 . TRP A 1 54 ? 16.613 92.715 -7.466 1.00 29.81 ? 54 TRP A CH2 1 ATOM 408 N N . GLY A 1 55 ? 16.333 91.143 -12.474 1.00 25.32 ? 55 GLY A N 1 ATOM 409 C CA . GLY A 1 55 ? 17.299 92.221 -12.555 1.00 25.56 ? 55 GLY A CA 1 ATOM 410 C C . GLY A 1 55 ? 17.809 92.448 -13.942 1.00 25.42 ? 55 GLY A C 1 ATOM 411 O O . GLY A 1 55 ? 18.616 93.336 -14.165 1.00 26.61 ? 55 GLY A O 1 ATOM 412 N N . ASN A 1 56 ? 17.339 91.665 -14.906 1.00 25.89 ? 56 ASN A N 1 ATOM 413 C CA . ASN A 1 56 ? 17.807 91.769 -16.282 1.00 25.05 ? 56 ASN A CA 1 ATOM 414 C C . ASN A 1 56 ? 16.701 91.824 -17.323 1.00 24.77 ? 56 ASN A C 1 ATOM 415 O O . ASN A 1 56 ? 15.588 91.337 -17.091 1.00 24.73 ? 56 ASN A O 1 ATOM 416 C CB . ASN A 1 56 ? 18.687 90.568 -16.589 1.00 25.92 ? 56 ASN A CB 1 ATOM 417 C CG . ASN A 1 56 ? 19.875 90.527 -15.716 1.00 27.29 ? 56 ASN A CG 1 ATOM 418 O OD1 . ASN A 1 56 ? 20.809 91.302 -15.908 1.00 32.68 ? 56 ASN A OD1 1 ATOM 419 N ND2 . ASN A 1 56 ? 19.830 89.693 -14.693 1.00 30.50 ? 56 ASN A ND2 1 ATOM 420 N N . PRO A 1 57 ? 17.025 92.365 -18.496 1.00 23.53 ? 57 PRO A N 1 ATOM 421 C CA . PRO A 1 57 ? 16.163 92.194 -19.635 1.00 24.38 ? 57 PRO A CA 1 ATOM 422 C C . PRO A 1 57 ? 16.158 90.700 -19.981 1.00 24.44 ? 57 PRO A C 1 ATOM 423 O O . PRO A 1 57 ? 17.029 89.971 -19.538 1.00 24.85 ? 57 PRO A O 1 ATOM 424 C CB . PRO A 1 57 ? 16.833 92.995 -20.767 1.00 23.79 ? 57 PRO A CB 1 ATOM 425 C CG . PRO A 1 57 ? 18.078 93.632 -20.183 1.00 25.95 ? 57 PRO A CG 1 ATOM 426 C CD . PRO A 1 57 ? 18.266 93.085 -18.798 1.00 23.34 ? 57 PRO A CD 1 ATOM 427 N N . PRO A 1 58 ? 15.228 90.250 -20.796 1.00 24.71 ? 58 PRO A N 1 ATOM 428 C CA . PRO A 1 58 ? 15.279 88.880 -21.314 1.00 25.21 ? 58 PRO A CA 1 ATOM 429 C C . PRO A 1 58 ? 16.423 88.717 -22.357 1.00 25.56 ? 58 PRO A C 1 ATOM 430 O O . PRO A 1 58 ? 16.856 89.730 -22.932 1.00 25.97 ? 58 PRO A O 1 ATOM 431 C CB . PRO A 1 58 ? 13.902 88.716 -21.949 1.00 25.35 ? 58 PRO A CB 1 ATOM 432 C CG . PRO A 1 58 ? 13.485 90.068 -22.327 1.00 24.27 ? 58 PRO A CG 1 ATOM 433 C CD . PRO A 1 58 ? 14.109 91.019 -21.348 1.00 25.00 ? 58 PRO A CD 1 ATOM 434 N N . PRO A 1 59 ? 16.908 87.490 -22.592 1.00 25.82 ? 59 PRO A N 1 ATOM 435 C CA . PRO A 1 59 ? 17.983 87.221 -23.542 1.00 26.56 ? 59 PRO A CA 1 ATOM 436 C C . PRO A 1 59 ? 17.719 87.671 -24.949 1.00 27.80 ? 59 PRO A C 1 ATOM 437 O O . PRO A 1 59 ? 16.620 87.482 -25.466 1.00 26.90 ? 59 PRO A O 1 ATOM 438 C CB . PRO A 1 59 ? 18.093 85.695 -23.538 1.00 26.39 ? 59 PRO A CB 1 ATOM 439 C CG . PRO A 1 59 ? 17.443 85.246 -22.377 1.00 25.77 ? 59 PRO A CG 1 ATOM 440 C CD . PRO A 1 59 ? 16.491 86.262 -21.931 1.00 25.89 ? 59 PRO A CD 1 ATOM 441 N N . LYS A 1 60 ? 18.737 88.248 -25.581 1.00 29.43 ? 60 LYS A N 1 ATOM 442 C CA . LYS A 1 60 ? 18.560 88.773 -26.916 1.00 31.31 ? 60 LYS A CA 1 ATOM 443 C C . LYS A 1 60 ? 18.369 87.721 -27.986 1.00 31.68 ? 60 LYS A C 1 ATOM 444 O O . LYS A 1 60 ? 17.730 88.009 -28.994 1.00 33.43 ? 60 LYS A O 1 ATOM 445 C CB . LYS A 1 60 ? 19.694 89.717 -27.276 1.00 31.78 ? 60 LYS A CB 1 ATOM 446 C CG . LYS A 1 60 ? 19.512 91.133 -26.639 1.00 35.00 ? 60 LYS A CG 1 ATOM 447 C CD . LYS A 1 60 ? 20.587 92.202 -27.119 1.00 34.45 ? 60 LYS A CD 1 ATOM 448 C CE . LYS A 1 60 ? 21.494 92.723 -25.972 1.00 38.24 ? 60 LYS A CE 1 ATOM 449 N NZ . LYS A 1 60 ? 22.070 94.120 -26.248 1.00 37.23 ? 60 LYS A NZ 1 ATOM 450 N N . ASP A 1 61 ? 18.886 86.508 -27.798 1.00 31.97 ? 61 ASP A N 1 ATOM 451 C CA . ASP A 1 61 ? 18.691 85.446 -28.799 1.00 31.33 ? 61 ASP A CA 1 ATOM 452 C C . ASP A 1 61 ? 17.234 84.975 -28.918 1.00 30.70 ? 61 ASP A C 1 ATOM 453 O O . ASP A 1 61 ? 16.739 84.784 -30.036 1.00 30.61 ? 61 ASP A O 1 ATOM 454 C CB . ASP A 1 61 ? 19.665 84.259 -28.612 1.00 32.14 ? 61 ASP A CB 1 ATOM 455 C CG . ASP A 1 61 ? 19.609 83.638 -27.235 1.00 34.97 ? 61 ASP A CG 1 ATOM 456 O OD1 . ASP A 1 61 ? 18.784 84.033 -26.386 1.00 40.24 ? 61 ASP A OD1 1 ATOM 457 O OD2 . ASP A 1 61 ? 20.400 82.741 -26.876 1.00 40.83 ? 61 ASP A OD2 1 ATOM 458 N N . VAL A 1 62 ? 16.524 84.822 -27.809 1.00 29.41 ? 62 VAL A N 1 ATOM 459 C CA . VAL A 1 62 ? 15.096 84.441 -27.901 1.00 28.69 ? 62 VAL A CA 1 ATOM 460 C C . VAL A 1 62 ? 14.147 85.611 -27.844 1.00 27.31 ? 62 VAL A C 1 ATOM 461 O O . VAL A 1 62 ? 13.004 85.477 -28.265 1.00 26.27 ? 62 VAL A O 1 ATOM 462 C CB . VAL A 1 62 ? 14.634 83.439 -26.810 1.00 28.76 ? 62 VAL A CB 1 ATOM 463 C CG1 . VAL A 1 62 ? 14.954 82.042 -27.222 1.00 31.34 ? 62 VAL A CG1 1 ATOM 464 C CG2 . VAL A 1 62 ? 15.255 83.746 -25.484 1.00 30.29 ? 62 VAL A CG2 1 ATOM 465 N N . CYS A 1 63 ? 14.603 86.727 -27.286 1.00 25.99 ? 63 CYS A N 1 ATOM 466 C CA . CYS A 1 63 ? 13.770 87.920 -27.131 1.00 26.02 ? 63 CYS A CA 1 ATOM 467 C C . CYS A 1 63 ? 14.418 89.163 -27.710 1.00 25.39 ? 63 CYS A C 1 ATOM 468 O O . CYS A 1 63 ? 14.750 90.097 -26.978 1.00 24.60 ? 63 CYS A O 1 ATOM 469 C CB . CYS A 1 63 ? 13.512 88.156 -25.653 1.00 26.33 ? 63 CYS A CB 1 ATOM 470 S SG . CYS A 1 63 ? 12.596 86.812 -24.851 1.00 26.20 ? 63 CYS A SG 1 ATOM 471 N N . PRO A 1 64 ? 14.608 89.179 -29.023 1.00 24.91 ? 64 PRO A N 1 ATOM 472 C CA . PRO A 1 64 ? 15.129 90.359 -29.676 1.00 25.14 ? 64 PRO A CA 1 ATOM 473 C C . PRO A 1 64 ? 14.044 91.435 -29.692 1.00 25.00 ? 64 PRO A C 1 ATOM 474 O O . PRO A 1 64 ? 14.350 92.612 -29.764 1.00 25.65 ? 64 PRO A O 1 ATOM 475 C CB . PRO A 1 64 ? 15.457 89.859 -31.092 1.00 25.39 ? 64 PRO A CB 1 ATOM 476 C CG . PRO A 1 64 ? 14.480 88.742 -31.321 1.00 25.43 ? 64 PRO A CG 1 ATOM 477 C CD . PRO A 1 64 ? 14.368 88.088 -29.984 1.00 25.10 ? 64 PRO A CD 1 ATOM 478 N N . ASP A 1 65 ? 12.775 91.022 -29.604 1.00 24.55 ? 65 ASP A N 1 ATOM 479 C CA . ASP A 1 65 ? 11.678 91.948 -29.540 1.00 22.99 ? 65 ASP A CA 1 ATOM 480 C C . ASP A 1 65 ? 10.464 91.335 -28.840 1.00 22.40 ? 65 ASP A C 1 ATOM 481 O O . ASP A 1 65 ? 10.466 90.143 -28.484 1.00 20.59 ? 65 ASP A O 1 ATOM 482 C CB . ASP A 1 65 ? 11.373 92.506 -30.943 1.00 24.38 ? 65 ASP A CB 1 ATOM 483 C CG . ASP A 1 65 ? 11.038 91.431 -31.970 1.00 24.77 ? 65 ASP A CG 1 ATOM 484 O OD1 . ASP A 1 65 ? 10.654 90.338 -31.559 1.00 23.93 ? 65 ASP A OD1 1 ATOM 485 O OD2 . ASP A 1 65 ? 11.028 91.630 -33.208 1.00 28.20 ? 65 ASP A OD2 1 ATOM 486 N N . VAL A 1 66 ? 9.451 92.154 -28.588 1.00 20.31 ? 66 VAL A N 1 ATOM 487 C CA . VAL A 1 66 ? 8.344 91.700 -27.784 1.00 21.50 ? 66 VAL A CA 1 ATOM 488 C C . VAL A 1 66 ? 7.594 90.530 -28.411 1.00 20.74 ? 66 VAL A C 1 ATOM 489 O O . VAL A 1 66 ? 7.305 89.576 -27.716 1.00 20.10 ? 66 VAL A O 1 ATOM 490 C CB . VAL A 1 66 ? 7.363 92.826 -27.468 1.00 21.68 ? 66 VAL A CB 1 ATOM 491 C CG1 . VAL A 1 66 ? 5.980 92.270 -27.030 1.00 22.08 ? 66 VAL A CG1 1 ATOM 492 C CG2 . VAL A 1 66 ? 7.936 93.714 -26.395 1.00 21.43 ? 66 VAL A CG2 1 ATOM 493 N N . GLU A 1 67 ? 7.290 90.630 -29.704 1.00 21.66 ? 67 GLU A N 1 ATOM 494 C CA . GLU A 1 67 ? 6.615 89.590 -30.501 1.00 22.54 ? 67 GLU A CA 1 ATOM 495 C C . GLU A 1 67 ? 7.357 88.213 -30.480 1.00 21.96 ? 67 GLU A C 1 ATOM 496 O O . GLU A 1 67 ? 6.747 87.128 -30.385 1.00 20.64 ? 67 GLU A O 1 ATOM 497 C CB . GLU A 1 67 ? 6.490 90.094 -31.952 1.00 22.27 ? 67 GLU A CB 1 ATOM 498 C CG . GLU A 1 67 ? 6.059 89.036 -32.976 1.00 24.59 ? 67 GLU A CG 1 ATOM 499 C CD . GLU A 1 67 ? 5.628 89.646 -34.337 1.00 27.88 ? 67 GLU A CD 1 ATOM 500 O OE1 . GLU A 1 67 ? 6.354 90.522 -34.898 1.00 36.97 ? 67 GLU A OE1 1 ATOM 501 O OE2 . GLU A 1 67 ? 4.546 89.248 -34.841 1.00 35.72 ? 67 GLU A OE2 1 ATOM 502 N N . SER A 1 68 ? 8.676 88.262 -30.592 1.00 22.08 ? 68 SER A N 1 ATOM 503 C CA . SER A 1 68 ? 9.495 87.052 -30.570 1.00 22.25 ? 68 SER A CA 1 ATOM 504 C C . SER A 1 68 ? 9.496 86.469 -29.181 1.00 23.85 ? 68 SER A C 1 ATOM 505 O O . SER A 1 68 ? 9.355 85.256 -28.999 1.00 24.80 ? 68 SER A O 1 ATOM 506 C CB . SER A 1 68 ? 10.933 87.377 -30.928 1.00 22.12 ? 68 SER A CB 1 ATOM 507 O OG . SER A 1 68 ? 11.033 87.808 -32.258 1.00 22.31 ? 68 SER A OG 1 ATOM 508 N N . CYS A 1 69 ? 9.665 87.336 -28.193 1.00 23.80 ? 69 CYS A N 1 ATOM 509 C CA . CYS A 1 69 ? 9.654 86.909 -26.816 1.00 23.80 ? 69 CYS A CA 1 ATOM 510 C C . CYS A 1 69 ? 8.300 86.199 -26.443 1.00 23.36 ? 69 CYS A C 1 ATOM 511 O O . CYS A 1 69 ? 8.267 85.202 -25.738 1.00 22.59 ? 69 CYS A O 1 ATOM 512 C CB . CYS A 1 69 ? 9.967 88.121 -25.926 1.00 23.79 ? 69 CYS A CB 1 ATOM 513 S SG . CYS A 1 69 ? 10.705 87.664 -24.386 1.00 28.52 ? 69 CYS A SG 1 ATOM 514 N N . ALA A 1 70 ? 7.201 86.691 -27.005 1.00 23.32 ? 70 ALA A N 1 ATOM 515 C CA . ALA A 1 70 ? 5.849 86.219 -26.722 1.00 23.19 ? 70 ALA A CA 1 ATOM 516 C C . ALA A 1 70 ? 5.560 84.822 -27.211 1.00 23.77 ? 70 ALA A C 1 ATOM 517 O O . ALA A 1 70 ? 4.659 84.155 -26.740 1.00 23.11 ? 70 ALA A O 1 ATOM 518 C CB . ALA A 1 70 ? 4.907 87.138 -27.360 1.00 23.34 ? 70 ALA A CB 1 ATOM 519 N N . LYS A 1 71 ? 6.331 84.422 -28.208 1.00 24.24 ? 71 LYS A N 1 ATOM 520 C CA . LYS A 1 71 ? 6.241 83.170 -28.896 1.00 24.65 ? 71 LYS A CA 1 ATOM 521 C C . LYS A 1 71 ? 7.320 82.203 -28.349 1.00 23.66 ? 71 LYS A C 1 ATOM 522 O O . LYS A 1 71 ? 7.065 81.005 -28.211 1.00 23.10 ? 71 LYS A O 1 ATOM 523 C CB . LYS A 1 71 ? 6.562 83.439 -30.358 1.00 24.73 ? 71 LYS A CB 1 ATOM 524 C CG . LYS A 1 71 ? 5.470 83.247 -31.344 1.00 30.10 ? 71 LYS A CG 1 ATOM 525 C CD . LYS A 1 71 ? 6.080 83.234 -32.800 1.00 31.72 ? 71 LYS A CD 1 ATOM 526 C CE . LYS A 1 71 ? 6.345 84.679 -33.402 1.00 38.22 ? 71 LYS A CE 1 ATOM 527 N NZ . LYS A 1 71 ? 5.099 85.501 -33.767 1.00 41.56 ? 71 LYS A NZ 1 ATOM 528 N N . ASN A 1 72 ? 8.527 82.728 -28.093 1.00 21.52 ? 72 ASN A N 1 ATOM 529 C CA . ASN A 1 72 ? 9.697 81.910 -27.749 1.00 21.32 ? 72 ASN A CA 1 ATOM 530 C C . ASN A 1 72 ? 9.808 81.495 -26.270 1.00 20.72 ? 72 ASN A C 1 ATOM 531 O O . ASN A 1 72 ? 10.484 80.533 -25.945 1.00 20.02 ? 72 ASN A O 1 ATOM 532 C CB . ASN A 1 72 ? 10.993 82.621 -28.175 1.00 20.82 ? 72 ASN A CB 1 ATOM 533 C CG . ASN A 1 72 ? 11.116 82.776 -29.675 1.00 22.07 ? 72 ASN A CG 1 ATOM 534 O OD1 . ASN A 1 72 ? 10.413 82.118 -30.462 1.00 19.15 ? 72 ASN A OD1 1 ATOM 535 N ND2 . ASN A 1 72 ? 12.021 83.650 -30.085 1.00 22.06 ? 72 ASN A ND2 1 ATOM 536 N N . CYS A 1 73 ? 9.132 82.204 -25.380 1.00 20.10 ? 73 CYS A N 1 ATOM 537 C CA . CYS A 1 73 ? 9.215 81.933 -23.945 1.00 19.98 ? 73 CYS A CA 1 ATOM 538 C C . CYS A 1 73 ? 7.886 81.491 -23.417 1.00 18.55 ? 73 CYS A C 1 ATOM 539 O O . CYS A 1 73 ? 6.900 82.172 -23.663 1.00 17.11 ? 73 CYS A O 1 ATOM 540 C CB . CYS A 1 73 ? 9.610 83.210 -23.251 1.00 20.55 ? 73 CYS A CB 1 ATOM 541 S SG . CYS A 1 73 ? 11.316 83.712 -23.694 1.00 27.51 ? 73 CYS A SG 1 ATOM 542 N N . ILE A 1 74 ? 7.859 80.396 -22.676 1.00 17.32 ? 74 ILE A N 1 ATOM 543 C CA . ILE A 1 74 ? 6.581 79.717 -22.386 1.00 17.75 ? 74 ILE A CA 1 ATOM 544 C C . ILE A 1 74 ? 6.453 79.738 -20.914 1.00 17.21 ? 74 ILE A C 1 ATOM 545 O O . ILE A 1 74 ? 7.404 79.415 -20.232 1.00 17.38 ? 74 ILE A O 1 ATOM 546 C CB . ILE A 1 74 ? 6.593 78.248 -22.870 1.00 17.06 ? 74 ILE A CB 1 ATOM 547 C CG1 . ILE A 1 74 ? 6.862 78.144 -24.372 1.00 17.14 ? 74 ILE A CG1 1 ATOM 548 C CG2 . ILE A 1 74 ? 5.304 77.513 -22.491 1.00 19.41 ? 74 ILE A CG2 1 ATOM 549 C CD1 . ILE A 1 74 ? 6.155 79.065 -25.202 1.00 19.27 ? 74 ILE A CD1 1 ATOM 550 N N . MET A 1 75 ? 5.295 80.080 -20.404 1.00 16.56 ? 75 MET A N 1 ATOM 551 C CA . MET A 1 75 ? 5.117 80.106 -18.970 1.00 17.43 ? 75 MET A CA 1 ATOM 552 C C . MET A 1 75 ? 4.174 78.966 -18.629 1.00 18.00 ? 75 MET A C 1 ATOM 553 O O . MET A 1 75 ? 3.070 78.904 -19.173 1.00 18.55 ? 75 MET A O 1 ATOM 554 C CB . MET A 1 75 ? 4.518 81.447 -18.574 1.00 16.76 ? 75 MET A CB 1 ATOM 555 C CG . MET A 1 75 ? 4.124 81.602 -17.164 1.00 17.59 ? 75 MET A CG 1 ATOM 556 S SD . MET A 1 75 ? 3.475 83.294 -16.876 1.00 19.78 ? 75 MET A SD 1 ATOM 557 C CE . MET A 1 75 ? 2.328 83.566 -18.231 1.00 16.54 ? 75 MET A CE 1 ATOM 558 N N . GLU A 1 76 ? 4.594 78.065 -17.744 1.00 18.44 ? 76 GLU A N 1 ATOM 559 C CA . GLU A 1 76 ? 3.746 76.922 -17.402 1.00 17.43 ? 76 GLU A CA 1 ATOM 560 C C . GLU A 1 76 ? 2.831 77.134 -16.214 1.00 16.76 ? 76 GLU A C 1 ATOM 561 O O . GLU A 1 76 ? 3.237 77.697 -15.230 1.00 17.17 ? 76 GLU A O 1 ATOM 562 C CB . GLU A 1 76 ? 4.585 75.674 -17.111 1.00 17.46 ? 76 GLU A CB 1 ATOM 563 C CG . GLU A 1 76 ? 5.284 75.079 -18.280 1.00 18.80 ? 76 GLU A CG 1 ATOM 564 C CD . GLU A 1 76 ? 4.383 74.523 -19.348 1.00 22.87 ? 76 GLU A CD 1 ATOM 565 O OE1 . GLU A 1 76 ? 3.163 74.249 -19.129 1.00 22.25 ? 76 GLU A OE1 1 ATOM 566 O OE2 . GLU A 1 76 ? 4.948 74.325 -20.426 1.00 26.01 ? 76 GLU A OE2 1 ATOM 567 N N . GLY A 1 77 ? 1.589 76.641 -16.297 1.00 16.70 ? 77 GLY A N 1 ATOM 568 C CA . GLY A 1 77 ? 0.693 76.613 -15.142 1.00 16.86 ? 77 GLY A CA 1 ATOM 569 C C . GLY A 1 77 ? 1.283 75.778 -14.038 1.00 17.57 ? 77 GLY A C 1 ATOM 570 O O . GLY A 1 77 ? 2.183 74.969 -14.284 1.00 17.39 ? 77 GLY A O 1 ATOM 571 N N . ILE A 1 78 ? 0.815 76.037 -12.822 1.00 18.74 ? 78 ILE A N 1 ATOM 572 C CA . ILE A 1 78 ? 1.208 75.371 -11.597 1.00 19.31 ? 78 ILE A CA 1 ATOM 573 C C . ILE A 1 78 ? -0.031 74.631 -11.150 1.00 20.30 ? 78 ILE A C 1 ATOM 574 O O . ILE A 1 78 ? -1.043 75.271 -10.758 1.00 19.93 ? 78 ILE A O 1 ATOM 575 C CB . ILE A 1 78 ? 1.625 76.387 -10.510 1.00 19.56 ? 78 ILE A CB 1 ATOM 576 C CG1 . ILE A 1 78 ? 2.968 77.025 -10.858 1.00 19.96 ? 78 ILE A CG1 1 ATOM 577 C CG2 . ILE A 1 78 ? 1.701 75.687 -9.181 1.00 20.62 ? 78 ILE A CG2 1 ATOM 578 C CD1 . ILE A 1 78 ? 3.390 78.181 -10.001 1.00 19.83 ? 78 ILE A CD1 1 ATOM 579 N N . PRO A 1 79 ? -0.026 73.296 -11.287 1.00 20.52 ? 79 PRO A N 1 ATOM 580 C CA . PRO A 1 79 ? -1.195 72.521 -10.922 1.00 21.02 ? 79 PRO A CA 1 ATOM 581 C C . PRO A 1 79 ? -1.248 72.200 -9.430 1.00 21.30 ? 79 PRO A C 1 ATOM 582 O O . PRO A 1 79 ? -2.281 71.825 -8.924 1.00 21.70 ? 79 PRO A O 1 ATOM 583 C CB . PRO A 1 79 ? -1.074 71.271 -11.829 1.00 20.88 ? 79 PRO A CB 1 ATOM 584 C CG . PRO A 1 79 ? 0.399 71.036 -11.949 1.00 21.61 ? 79 PRO A CG 1 ATOM 585 C CD . PRO A 1 79 ? 1.029 72.452 -11.881 1.00 20.78 ? 79 PRO A CD 1 ATOM 586 N N . ASP A 1 80 ? -0.138 72.403 -8.725 1.00 21.65 ? 80 ASP A N 1 ATOM 587 C CA . ASP A 1 80 ? -0.003 72.078 -7.284 1.00 21.01 ? 80 ASP A CA 1 ATOM 588 C C . ASP A 1 80 ? 0.806 73.174 -6.560 1.00 20.63 ? 80 ASP A C 1 ATOM 589 O O . ASP A 1 80 ? 2.038 73.112 -6.515 1.00 19.14 ? 80 ASP A O 1 ATOM 590 C CB . ASP A 1 80 ? 0.764 70.752 -7.121 1.00 20.85 ? 80 ASP A CB 1 ATOM 591 C CG . ASP A 1 80 ? 0.820 70.266 -5.679 1.00 23.52 ? 80 ASP A CG 1 ATOM 592 O OD1 . ASP A 1 80 ? 0.107 70.813 -4.773 1.00 30.96 ? 80 ASP A OD1 1 ATOM 593 O OD2 . ASP A 1 80 ? 1.579 69.319 -5.351 1.00 30.55 ? 80 ASP A OD2 1 ATOM 594 N N . TYR A 1 81 ? 0.108 74.144 -5.977 1.00 20.22 ? 81 TYR A N 1 ATOM 595 C CA . TYR A 1 81 ? 0.784 75.283 -5.353 1.00 19.75 ? 81 TYR A CA 1 ATOM 596 C C . TYR A 1 81 ? 1.574 74.920 -4.134 1.00 19.13 ? 81 TYR A C 1 ATOM 597 O O . TYR A 1 81 ? 2.457 75.630 -3.750 1.00 16.29 ? 81 TYR A O 1 ATOM 598 C CB . TYR A 1 81 ? -0.230 76.343 -4.959 1.00 19.81 ? 81 TYR A CB 1 ATOM 599 C CG . TYR A 1 81 ? -0.434 77.348 -6.049 1.00 20.02 ? 81 TYR A CG 1 ATOM 600 C CD1 . TYR A 1 81 ? -0.846 76.962 -7.327 1.00 20.40 ? 81 TYR A CD1 1 ATOM 601 C CD2 . TYR A 1 81 ? -0.287 78.702 -5.791 1.00 21.64 ? 81 TYR A CD2 1 ATOM 602 C CE1 . TYR A 1 81 ? -1.021 77.903 -8.313 1.00 18.69 ? 81 TYR A CE1 1 ATOM 603 C CE2 . TYR A 1 81 ? -0.487 79.636 -6.752 1.00 20.05 ? 81 TYR A CE2 1 ATOM 604 C CZ . TYR A 1 81 ? -0.828 79.261 -8.005 1.00 20.18 ? 81 TYR A CZ 1 ATOM 605 O OH . TYR A 1 81 ? -1.012 80.281 -8.914 1.00 20.32 ? 81 TYR A OH 1 ATOM 606 N N . SER A 1 82 ? 1.226 73.803 -3.490 1.00 20.26 ? 82 SER A N 1 ATOM 607 C CA . SER A 1 82 ? 1.890 73.439 -2.275 1.00 19.79 ? 82 SER A CA 1 ATOM 608 C C . SER A 1 82 ? 3.371 73.230 -2.573 1.00 18.85 ? 82 SER A C 1 ATOM 609 O O . SER A 1 82 ? 4.171 73.317 -1.669 1.00 17.36 ? 82 SER A O 1 ATOM 610 C CB . SER A 1 82 ? 1.245 72.202 -1.659 1.00 21.10 ? 82 SER A CB 1 ATOM 611 O OG . SER A 1 82 ? 1.849 71.011 -2.171 1.00 25.33 ? 82 SER A OG 1 ATOM 612 N N . GLN A 1 83 ? 3.744 73.026 -3.842 1.00 18.67 ? 83 GLN A N 1 ATOM 613 C CA . GLN A 1 83 ? 5.157 72.826 -4.200 1.00 19.13 ? 83 GLN A CA 1 ATOM 614 C C . GLN A 1 83 ? 5.910 74.141 -4.106 1.00 18.70 ? 83 GLN A C 1 ATOM 615 O O . GLN A 1 83 ? 7.143 74.170 -4.127 1.00 16.33 ? 83 GLN A O 1 ATOM 616 C CB . GLN A 1 83 ? 5.311 72.267 -5.603 1.00 20.10 ? 83 GLN A CB 1 ATOM 617 C CG . GLN A 1 83 ? 4.656 70.948 -5.848 1.00 22.87 ? 83 GLN A CG 1 ATOM 618 C CD . GLN A 1 83 ? 5.270 69.849 -5.041 1.00 24.50 ? 83 GLN A CD 1 ATOM 619 O OE1 . GLN A 1 83 ? 6.473 69.676 -5.054 1.00 30.58 ? 83 GLN A OE1 1 ATOM 620 N NE2 . GLN A 1 83 ? 4.460 69.126 -4.338 1.00 25.23 ? 83 GLN A NE2 1 ATOM 621 N N . TYR A 1 84 ? 5.153 75.239 -3.997 1.00 17.83 ? 84 TYR A N 1 ATOM 622 C CA . TYR A 1 84 ? 5.770 76.544 -3.880 1.00 18.11 ? 84 TYR A CA 1 ATOM 623 C C . TYR A 1 84 ? 5.594 77.132 -2.469 1.00 18.56 ? 84 TYR A C 1 ATOM 624 O O . TYR A 1 84 ? 5.817 78.314 -2.259 1.00 18.20 ? 84 TYR A O 1 ATOM 625 C CB . TYR A 1 84 ? 5.248 77.449 -4.963 1.00 17.77 ? 84 TYR A CB 1 ATOM 626 C CG . TYR A 1 84 ? 5.668 76.998 -6.338 1.00 17.66 ? 84 TYR A CG 1 ATOM 627 C CD1 . TYR A 1 84 ? 5.023 75.939 -6.960 1.00 19.06 ? 84 TYR A CD1 1 ATOM 628 C CD2 . TYR A 1 84 ? 6.701 77.605 -7.003 1.00 16.91 ? 84 TYR A CD2 1 ATOM 629 C CE1 . TYR A 1 84 ? 5.377 75.524 -8.219 1.00 18.51 ? 84 TYR A CE1 1 ATOM 630 C CE2 . TYR A 1 84 ? 7.083 77.176 -8.283 1.00 18.38 ? 84 TYR A CE2 1 ATOM 631 C CZ . TYR A 1 84 ? 6.425 76.123 -8.869 1.00 17.13 ? 84 TYR A CZ 1 ATOM 632 O OH . TYR A 1 84 ? 6.758 75.689 -10.134 1.00 19.83 ? 84 TYR A OH 1 ATOM 633 N N . GLY A 1 85 ? 5.239 76.266 -1.518 1.00 17.45 ? 85 GLY A N 1 ATOM 634 C CA . GLY A 1 85 ? 5.003 76.652 -0.165 1.00 17.22 ? 85 GLY A CA 1 ATOM 635 C C . GLY A 1 85 ? 3.724 77.440 0.072 1.00 16.92 ? 85 GLY A C 1 ATOM 636 O O . GLY A 1 85 ? 3.638 78.156 1.030 1.00 16.51 ? 85 GLY A O 1 ATOM 637 N N . VAL A 1 86 ? 2.754 77.304 -0.815 1.00 16.90 ? 86 VAL A N 1 ATOM 638 C CA . VAL A 1 86 ? 1.502 78.013 -0.749 1.00 17.51 ? 86 VAL A CA 1 ATOM 639 C C . VAL A 1 86 ? 0.342 77.043 -0.600 1.00 17.71 ? 86 VAL A C 1 ATOM 640 O O . VAL A 1 86 ? 0.179 76.149 -1.453 1.00 16.45 ? 86 VAL A O 1 ATOM 641 C CB . VAL A 1 86 ? 1.242 78.826 -2.048 1.00 17.59 ? 86 VAL A CB 1 ATOM 642 C CG1 . VAL A 1 86 ? -0.051 79.570 -1.938 1.00 17.74 ? 86 VAL A CG1 1 ATOM 643 C CG2 . VAL A 1 86 ? 2.353 79.773 -2.329 1.00 19.07 ? 86 VAL A CG2 1 ATOM 644 N N . THR A 1 87 ? -0.449 77.224 0.480 1.00 17.99 ? 87 THR A N 1 ATOM 645 C CA . THR A 1 87 ? -1.673 76.439 0.727 1.00 17.61 ? 87 THR A CA 1 ATOM 646 C C . THR A 1 87 ? -2.674 77.274 1.427 1.00 17.97 ? 87 THR A C 1 ATOM 647 O O . THR A 1 87 ? -2.318 78.151 2.158 1.00 17.55 ? 87 THR A O 1 ATOM 648 C CB . THR A 1 87 ? -1.408 75.212 1.600 1.00 18.16 ? 87 THR A CB 1 ATOM 649 O OG1 . THR A 1 87 ? -0.726 75.563 2.819 1.00 17.61 ? 87 THR A OG1 1 ATOM 650 C CG2 . THR A 1 87 ? -0.412 74.265 0.891 1.00 18.71 ? 87 THR A CG2 1 ATOM 651 N N . THR A 1 88 ? -3.937 76.960 1.203 1.00 19.48 ? 88 THR A N 1 ATOM 652 C CA . THR A 1 88 ? -5.033 77.579 1.921 1.00 19.63 ? 88 THR A CA 1 ATOM 653 C C . THR A 1 88 ? -5.897 76.522 2.610 1.00 20.53 ? 88 THR A C 1 ATOM 654 O O . THR A 1 88 ? -6.001 75.383 2.128 1.00 17.60 ? 88 THR A O 1 ATOM 655 C CB . THR A 1 88 ? -5.941 78.358 0.974 1.00 19.64 ? 88 THR A CB 1 ATOM 656 O OG1 . THR A 1 88 ? -6.461 77.481 -0.027 1.00 16.45 ? 88 THR A OG1 1 ATOM 657 C CG2 . THR A 1 88 ? -5.161 79.464 0.220 1.00 18.28 ? 88 THR A CG2 1 ATOM 658 N N . ASN A 1 89 ? -6.497 76.925 3.733 1.00 20.98 ? 89 ASN A N 1 ATOM 659 C CA . ASN A 1 89 ? -7.477 76.141 4.436 1.00 21.82 ? 89 ASN A CA 1 ATOM 660 C C . ASN A 1 89 ? -8.577 77.090 4.917 1.00 21.47 ? 89 ASN A C 1 ATOM 661 O O . ASN A 1 89 ? -8.382 77.799 5.912 1.00 22.57 ? 89 ASN A O 1 ATOM 662 C CB . ASN A 1 89 ? -6.863 75.406 5.656 1.00 21.99 ? 89 ASN A CB 1 ATOM 663 C CG . ASN A 1 89 ? -7.846 74.415 6.275 1.00 24.29 ? 89 ASN A CG 1 ATOM 664 O OD1 . ASN A 1 89 ? -9.018 74.357 5.859 1.00 29.05 ? 89 ASN A OD1 1 ATOM 665 N ND2 . ASN A 1 89 ? -7.379 73.601 7.232 1.00 27.17 ? 89 ASN A ND2 1 ATOM 666 N N . GLY A 1 90 ? -9.701 77.105 4.214 1.00 20.00 ? 90 GLY A N 1 ATOM 667 C CA . GLY A 1 90 ? -10.838 77.974 4.552 1.00 20.47 ? 90 GLY A CA 1 ATOM 668 C C . GLY A 1 90 ? -10.430 79.454 4.395 1.00 19.52 ? 90 GLY A C 1 ATOM 669 O O . GLY A 1 90 ? -10.236 79.922 3.287 1.00 18.96 ? 90 GLY A O 1 ATOM 670 N N . THR A 1 91 ? -10.251 80.141 5.516 1.00 18.30 ? 91 THR A N 1 ATOM 671 C CA . THR A 1 91 ? -9.916 81.560 5.517 1.00 18.44 ? 91 THR A CA 1 ATOM 672 C C . THR A 1 91 ? -8.457 81.761 5.784 1.00 17.12 ? 91 THR A C 1 ATOM 673 O O . THR A 1 91 ? -8.053 82.877 6.046 1.00 17.19 ? 91 THR A O 1 ATOM 674 C CB . THR A 1 91 ? -10.691 82.342 6.618 1.00 19.48 ? 91 THR A CB 1 ATOM 675 O OG1 . THR A 1 91 ? -10.346 81.828 7.926 1.00 19.67 ? 91 THR A OG1 1 ATOM 676 C CG2 . THR A 1 91 ? -12.201 82.220 6.464 1.00 19.31 ? 91 THR A CG2 1 ATOM 677 N N . SER A 1 92 ? -7.686 80.675 5.782 1.00 17.49 ? 92 SER A N 1 ATOM 678 C CA . SER A 1 92 ? -6.271 80.697 6.118 1.00 16.65 ? 92 SER A CA 1 ATOM 679 C C . SER A 1 92 ? -5.387 80.486 4.890 1.00 15.68 ? 92 SER A C 1 ATOM 680 O O . SER A 1 92 ? -5.681 79.696 4.011 1.00 16.30 ? 92 SER A O 1 ATOM 681 C CB . SER A 1 92 ? -5.968 79.649 7.171 1.00 17.72 ? 92 SER A CB 1 ATOM 682 O OG . SER A 1 92 ? -6.164 80.147 8.480 1.00 20.96 ? 92 SER A OG 1 ATOM 683 N N . LEU A 1 93 ? -4.327 81.265 4.813 1.00 15.19 ? 93 LEU A N 1 ATOM 684 C CA . LEU A 1 93 ? -3.333 81.183 3.773 1.00 16.48 ? 93 LEU A CA 1 ATOM 685 C C . LEU A 1 93 ? -2.016 81.024 4.491 1.00 16.27 ? 93 LEU A C 1 ATOM 686 O O . LEU A 1 93 ? -1.637 81.883 5.267 1.00 15.01 ? 93 LEU A O 1 ATOM 687 C CB . LEU A 1 93 ? -3.264 82.442 2.913 1.00 15.67 ? 93 LEU A CB 1 ATOM 688 C CG . LEU A 1 93 ? -2.081 82.519 1.953 1.00 15.44 ? 93 LEU A CG 1 ATOM 689 C CD1 . LEU A 1 93 ? -2.201 81.601 0.742 1.00 14.48 ? 93 LEU A CD1 1 ATOM 690 C CD2 . LEU A 1 93 ? -1.883 83.908 1.459 1.00 18.59 ? 93 LEU A CD2 1 ATOM 691 N N . ARG A 1 94 ? -1.315 79.952 4.166 1.00 16.26 ? 94 ARG A N 1 ATOM 692 C CA . ARG A 1 94 ? 0.016 79.654 4.725 1.00 16.43 ? 94 ARG A CA 1 ATOM 693 C C . ARG A 1 94 ? 1.073 79.809 3.688 1.00 16.79 ? 94 ARG A C 1 ATOM 694 O O . ARG A 1 94 ? 0.954 79.221 2.599 1.00 16.63 ? 94 ARG A O 1 ATOM 695 C CB . ARG A 1 94 ? -0.003 78.201 5.183 1.00 17.23 ? 94 ARG A CB 1 ATOM 696 C CG . ARG A 1 94 ? 1.211 77.700 5.954 1.00 16.82 ? 94 ARG A CG 1 ATOM 697 C CD . ARG A 1 94 ? 1.199 76.166 6.088 1.00 17.56 ? 94 ARG A CD 1 ATOM 698 N NE . ARG A 1 94 ? 2.267 75.697 6.953 1.00 20.26 ? 94 ARG A NE 1 ATOM 699 C CZ . ARG A 1 94 ? 2.686 74.418 7.063 1.00 20.42 ? 94 ARG A CZ 1 ATOM 700 N NH1 . ARG A 1 94 ? 2.133 73.460 6.358 1.00 22.17 ? 94 ARG A NH1 1 ATOM 701 N NH2 . ARG A 1 94 ? 3.697 74.117 7.872 1.00 19.12 ? 94 ARG A NH2 1 ATOM 702 N N . LEU A 1 95 ? 2.135 80.580 4.010 1.00 16.66 ? 95 LEU A N 1 ATOM 703 C CA . LEU A 1 95 ? 3.228 80.769 3.099 1.00 15.88 ? 95 LEU A CA 1 ATOM 704 C C . LEU A 1 95 ? 4.481 80.202 3.772 1.00 15.88 ? 95 LEU A C 1 ATOM 705 O O . LEU A 1 95 ? 4.848 80.666 4.852 1.00 13.93 ? 95 LEU A O 1 ATOM 706 C CB . LEU A 1 95 ? 3.431 82.268 2.746 1.00 16.78 ? 95 LEU A CB 1 ATOM 707 C CG . LEU A 1 95 ? 2.275 82.985 2.057 1.00 16.48 ? 95 LEU A CG 1 ATOM 708 C CD1 . LEU A 1 95 ? 2.659 84.357 1.741 1.00 17.63 ? 95 LEU A CD1 1 ATOM 709 C CD2 . LEU A 1 95 ? 1.840 82.305 0.749 1.00 17.38 ? 95 LEU A CD2 1 ATOM 710 N N . GLN A 1 96 ? 5.089 79.164 3.166 1.00 14.33 ? 96 GLN A N 1 ATOM 711 C CA . GLN A 1 96 ? 6.306 78.553 3.707 1.00 14.49 ? 96 GLN A CA 1 ATOM 712 C C . GLN A 1 96 ? 7.482 79.058 2.933 1.00 13.95 ? 96 GLN A C 1 ATOM 713 O O . GLN A 1 96 ? 7.489 78.987 1.692 1.00 15.09 ? 96 GLN A O 1 ATOM 714 C CB . GLN A 1 96 ? 6.238 77.020 3.615 1.00 15.94 ? 96 GLN A CB 1 ATOM 715 C CG . GLN A 1 96 ? 4.996 76.437 4.297 1.00 14.64 ? 96 GLN A CG 1 ATOM 716 C CD . GLN A 1 96 ? 4.832 75.022 3.947 1.00 17.66 ? 96 GLN A CD 1 ATOM 717 O OE1 . GLN A 1 96 ? 3.931 74.663 3.157 1.00 19.36 ? 96 GLN A OE1 1 ATOM 718 N NE2 . GLN A 1 96 ? 5.732 74.184 4.487 1.00 16.82 ? 96 GLN A NE2 1 ATOM 719 N N . HIS A 1 97 ? 8.462 79.625 3.628 1.00 13.47 ? 97 HIS A N 1 ATOM 720 C CA . HIS A 1 97 ? 9.621 80.157 2.958 1.00 16.09 ? 97 HIS A CA 1 ATOM 721 C C . HIS A 1 97 ? 10.511 78.993 2.470 1.00 17.06 ? 97 HIS A C 1 ATOM 722 O O . HIS A 1 97 ? 11.063 79.051 1.383 1.00 16.32 ? 97 HIS A O 1 ATOM 723 C CB . HIS A 1 97 ? 10.446 81.036 3.882 1.00 14.75 ? 97 HIS A CB 1 ATOM 724 C CG . HIS A 1 97 ? 11.522 81.782 3.179 1.00 14.44 ? 97 HIS A CG 1 ATOM 725 N ND1 . HIS A 1 97 ? 12.850 81.640 3.492 1.00 20.46 ? 97 HIS A ND1 1 ATOM 726 C CD2 . HIS A 1 97 ? 11.466 82.654 2.153 1.00 18.36 ? 97 HIS A CD2 1 ATOM 727 C CE1 . HIS A 1 97 ? 13.570 82.382 2.679 1.00 19.52 ? 97 HIS A CE1 1 ATOM 728 N NE2 . HIS A 1 97 ? 12.750 83.016 1.860 1.00 20.02 ? 97 HIS A NE2 1 ATOM 729 N N . ILE A 1 98 ? 10.679 77.989 3.329 1.00 18.93 ? 98 ILE A N 1 ATOM 730 C CA . ILE A 1 98 ? 11.547 76.839 3.044 1.00 20.24 ? 98 ILE A CA 1 ATOM 731 C C . ILE A 1 98 ? 10.698 75.576 3.205 1.00 21.76 ? 98 ILE A C 1 ATOM 732 O O . ILE A 1 98 ? 9.922 75.461 4.126 1.00 21.36 ? 98 ILE A O 1 ATOM 733 C CB . ILE A 1 98 ? 12.767 76.807 3.988 1.00 19.63 ? 98 ILE A CB 1 ATOM 734 C CG1 . ILE A 1 98 ? 13.559 78.102 3.852 1.00 18.74 ? 98 ILE A CG1 1 ATOM 735 C CG2 . ILE A 1 98 ? 13.652 75.598 3.654 1.00 19.40 ? 98 ILE A CG2 1 ATOM 736 C CD1 . ILE A 1 98 ? 14.683 78.296 4.808 1.00 18.88 ? 98 ILE A CD1 1 ATOM 737 N N . LEU A 1 99 ? 10.847 74.635 2.282 1.00 24.34 ? 99 LEU A N 1 ATOM 738 C CA . LEU A 1 99 ? 10.193 73.329 2.418 1.00 25.69 ? 99 LEU A CA 1 ATOM 739 C C . LEU A 1 99 ? 11.138 72.299 3.097 1.00 27.39 ? 99 LEU A C 1 ATOM 740 O O . LEU A 1 99 ? 12.370 72.427 3.025 1.00 28.17 ? 99 LEU A O 1 ATOM 741 C CB . LEU A 1 99 ? 9.722 72.811 1.048 1.00 25.40 ? 99 LEU A CB 1 ATOM 742 C CG . LEU A 1 99 ? 8.853 73.811 0.270 1.00 26.65 ? 99 LEU A CG 1 ATOM 743 C CD1 . LEU A 1 99 ? 8.480 73.284 -1.119 1.00 26.15 ? 99 LEU A CD1 1 ATOM 744 C CD2 . LEU A 1 99 ? 7.571 74.204 1.069 1.00 27.22 ? 99 LEU A CD2 1 ATOM 745 N N . PRO A 1 100 ? 10.550 71.280 3.741 1.00 29.18 ? 100 PRO A N 1 ATOM 746 C CA . PRO A 1 100 ? 11.314 70.190 4.404 1.00 29.66 ? 100 PRO A CA 1 ATOM 747 C C . PRO A 1 100 ? 12.401 69.614 3.552 1.00 30.56 ? 100 PRO A C 1 ATOM 748 O O . PRO A 1 100 ? 13.499 69.364 4.032 1.00 31.45 ? 100 PRO A O 1 ATOM 749 C CB . PRO A 1 100 ? 10.253 69.150 4.661 1.00 30.38 ? 100 PRO A CB 1 ATOM 750 C CG . PRO A 1 100 ? 9.031 70.000 4.937 1.00 30.64 ? 100 PRO A CG 1 ATOM 751 C CD . PRO A 1 100 ? 9.097 71.126 3.935 1.00 28.96 ? 100 PRO A CD 1 ATOM 752 N N . ASP A 1 101 ? 12.123 69.509 2.255 1.00 31.67 ? 101 ASP A N 1 ATOM 753 C CA . ASP A 1 101 ? 13.107 68.994 1.278 1.00 30.84 ? 101 ASP A CA 1 ATOM 754 C C . ASP A 1 101 ? 14.233 69.979 0.910 1.00 31.18 ? 101 ASP A C 1 ATOM 755 O O . ASP A 1 101 ? 15.142 69.623 0.162 1.00 32.12 ? 101 ASP A O 1 ATOM 756 C CB A ASP A 1 101 ? 12.414 68.458 0.015 0.50 31.02 ? 101 ASP A CB 1 ATOM 757 C CB B ASP A 1 101 ? 12.345 68.541 0.033 0.50 31.35 ? 101 ASP A CB 1 ATOM 758 C CG A ASP A 1 101 ? 12.327 69.489 -1.087 0.50 29.52 ? 101 ASP A CG 1 ATOM 759 C CG B ASP A 1 101 ? 11.121 69.399 -0.228 0.50 30.52 ? 101 ASP A CG 1 ATOM 760 O OD1 A ASP A 1 101 ? 12.382 70.685 -0.762 0.50 21.92 ? 101 ASP A OD1 1 ATOM 761 O OD1 B ASP A 1 101 ? 11.290 70.440 -0.883 0.50 30.42 ? 101 ASP A OD1 1 ATOM 762 O OD2 A ASP A 1 101 ? 12.216 69.187 -2.292 0.50 27.88 ? 101 ASP A OD2 1 ATOM 763 O OD2 B ASP A 1 101 ? 9.983 69.155 0.234 0.50 26.84 ? 101 ASP A OD2 1 ATOM 764 N N . GLY A 1 102 ? 14.177 71.210 1.426 1.00 30.72 ? 102 GLY A N 1 ATOM 765 C CA . GLY A 1 102 ? 15.270 72.168 1.245 1.00 29.29 ? 102 GLY A CA 1 ATOM 766 C C . GLY A 1 102 ? 14.994 73.280 0.252 1.00 28.33 ? 102 GLY A C 1 ATOM 767 O O . GLY A 1 102 ? 15.718 74.267 0.198 1.00 28.26 ? 102 GLY A O 1 ATOM 768 N N . ARG A 1 103 ? 13.959 73.125 -0.547 1.00 26.29 ? 103 ARG A N 1 ATOM 769 C CA . ARG A 1 103 ? 13.633 74.146 -1.527 1.00 25.93 ? 103 ARG A CA 1 ATOM 770 C C . ARG A 1 103 ? 13.225 75.463 -0.860 1.00 23.47 ? 103 ARG A C 1 ATOM 771 O O . ARG A 1 103 ? 12.534 75.451 0.113 1.00 22.12 ? 103 ARG A O 1 ATOM 772 C CB . ARG A 1 103 ? 12.492 73.660 -2.409 1.00 26.05 ? 103 ARG A CB 1 ATOM 773 C CG . ARG A 1 103 ? 12.927 72.644 -3.427 1.00 27.40 ? 103 ARG A CG 1 ATOM 774 C CD . ARG A 1 103 ? 11.789 72.117 -4.243 1.00 28.13 ? 103 ARG A CD 1 ATOM 775 N NE . ARG A 1 103 ? 10.906 71.295 -3.405 1.00 29.37 ? 103 ARG A NE 1 ATOM 776 C CZ . ARG A 1 103 ? 9.727 70.867 -3.797 1.00 30.60 ? 103 ARG A CZ 1 ATOM 777 N NH1 . ARG A 1 103 ? 9.262 71.222 -4.973 1.00 30.68 ? 103 ARG A NH1 1 ATOM 778 N NH2 . ARG A 1 103 ? 8.988 70.110 -3.000 1.00 32.36 ? 103 ARG A NH2 1 ATOM 779 N N . VAL A 1 104 ? 13.669 76.578 -1.410 1.00 22.36 ? 104 VAL A N 1 ATOM 780 C CA . VAL A 1 104 ? 13.356 77.902 -0.857 1.00 21.85 ? 104 VAL A CA 1 ATOM 781 C C . VAL A 1 104 ? 12.479 78.646 -1.847 1.00 20.85 ? 104 VAL A C 1 ATOM 782 O O . VAL A 1 104 ? 12.941 79.522 -2.540 1.00 20.47 ? 104 VAL A O 1 ATOM 783 C CB . VAL A 1 104 ? 14.640 78.711 -0.532 1.00 21.67 ? 104 VAL A CB 1 ATOM 784 C CG1 . VAL A 1 104 ? 14.291 80.051 0.166 1.00 22.79 ? 104 VAL A CG1 1 ATOM 785 C CG2 . VAL A 1 104 ? 15.580 77.936 0.356 1.00 22.49 ? 104 VAL A CG2 1 ATOM 786 N N . PRO A 1 105 ? 11.187 78.327 -1.897 1.00 20.30 ? 105 PRO A N 1 ATOM 787 C CA . PRO A 1 105 ? 10.311 78.964 -2.851 1.00 19.71 ? 105 PRO A CA 1 ATOM 788 C C . PRO A 1 105 ? 10.017 80.431 -2.560 1.00 20.51 ? 105 PRO A C 1 ATOM 789 O O . PRO A 1 105 ? 9.679 81.154 -3.488 1.00 21.99 ? 105 PRO A O 1 ATOM 790 C CB . PRO A 1 105 ? 9.019 78.160 -2.717 1.00 20.25 ? 105 PRO A CB 1 ATOM 791 C CG . PRO A 1 105 ? 9.011 77.646 -1.332 1.00 18.46 ? 105 PRO A CG 1 ATOM 792 C CD . PRO A 1 105 ? 10.463 77.342 -1.075 1.00 19.67 ? 105 PRO A CD 1 ATOM 793 N N . SER A 1 106 ? 10.081 80.853 -1.291 1.00 18.84 ? 106 SER A N 1 ATOM 794 C CA . SER A 1 106 ? 9.931 82.260 -0.917 1.00 18.18 ? 106 SER A CA 1 ATOM 795 C C . SER A 1 106 ? 8.771 82.897 -1.693 1.00 17.25 ? 106 SER A C 1 ATOM 796 O O . SER A 1 106 ? 8.993 83.765 -2.533 1.00 17.87 ? 106 SER A O 1 ATOM 797 C CB . SER A 1 106 ? 11.248 82.983 -1.200 1.00 18.80 ? 106 SER A CB 1 ATOM 798 O OG . SER A 1 106 ? 11.198 84.372 -0.828 1.00 21.25 ? 106 SER A OG 1 ATOM 799 N N . PRO A 1 107 ? 7.572 82.347 -1.547 1.00 15.96 ? 107 PRO A N 1 ATOM 800 C CA . PRO A 1 107 ? 6.432 82.690 -2.421 1.00 15.91 ? 107 PRO A CA 1 ATOM 801 C C . PRO A 1 107 ? 5.906 84.107 -2.253 1.00 16.44 ? 107 PRO A C 1 ATOM 802 O O . PRO A 1 107 ? 5.845 84.608 -1.145 1.00 14.88 ? 107 PRO A O 1 ATOM 803 C CB . PRO A 1 107 ? 5.343 81.718 -1.966 1.00 16.09 ? 107 PRO A CB 1 ATOM 804 C CG . PRO A 1 107 ? 5.735 81.416 -0.575 1.00 15.18 ? 107 PRO A CG 1 ATOM 805 C CD . PRO A 1 107 ? 7.201 81.295 -0.591 1.00 16.38 ? 107 PRO A CD 1 ATOM 806 N N . ARG A 1 108 ? 5.564 84.720 -3.385 1.00 16.37 ? 108 ARG A N 1 ATOM 807 C CA . ARG A 1 108 ? 4.757 85.896 -3.443 1.00 15.18 ? 108 ARG A CA 1 ATOM 808 C C . ARG A 1 108 ? 3.510 85.620 -4.265 1.00 14.22 ? 108 ARG A C 1 ATOM 809 O O . ARG A 1 108 ? 3.576 85.163 -5.409 1.00 12.97 ? 108 ARG A O 1 ATOM 810 C CB . ARG A 1 108 ? 5.539 87.014 -4.078 1.00 15.53 ? 108 ARG A CB 1 ATOM 811 C CG . ARG A 1 108 ? 4.740 88.340 -4.166 1.00 15.09 ? 108 ARG A CG 1 ATOM 812 C CD . ARG A 1 108 ? 5.626 89.456 -4.584 1.00 16.46 ? 108 ARG A CD 1 ATOM 813 N NE . ARG A 1 108 ? 5.891 89.417 -6.003 1.00 18.93 ? 108 ARG A NE 1 ATOM 814 C CZ . ARG A 1 108 ? 7.073 89.528 -6.558 1.00 19.17 ? 108 ARG A CZ 1 ATOM 815 N NH1 . ARG A 1 108 ? 8.161 89.695 -5.846 1.00 24.80 ? 108 ARG A NH1 1 ATOM 816 N NH2 . ARG A 1 108 ? 7.160 89.518 -7.865 1.00 22.12 ? 108 ARG A NH2 1 ATOM 817 N N . VAL A 1 109 ? 2.382 85.975 -3.688 1.00 14.23 ? 109 VAL A N 1 ATOM 818 C CA . VAL A 1 109 ? 1.094 85.764 -4.294 1.00 15.35 ? 109 VAL A CA 1 ATOM 819 C C . VAL A 1 109 ? 0.229 87.010 -4.267 1.00 15.62 ? 109 VAL A C 1 ATOM 820 O O . VAL A 1 109 ? 0.469 87.936 -3.474 1.00 15.74 ? 109 VAL A O 1 ATOM 821 C CB . VAL A 1 109 ? 0.300 84.614 -3.570 1.00 15.74 ? 109 VAL A CB 1 ATOM 822 C CG1 . VAL A 1 109 ? 0.990 83.319 -3.724 1.00 15.67 ? 109 VAL A CG1 1 ATOM 823 C CG2 . VAL A 1 109 ? 0.133 84.928 -2.119 1.00 15.38 ? 109 VAL A CG2 1 ATOM 824 N N . TYR A 1 110 ? -0.761 87.045 -5.169 1.00 15.51 ? 110 TYR A N 1 ATOM 825 C CA . TYR A 1 110 ? -1.727 88.120 -5.223 1.00 15.74 ? 110 TYR A CA 1 ATOM 826 C C . TYR A 1 110 ? -3.098 87.584 -4.992 1.00 16.44 ? 110 TYR A C 1 ATOM 827 O O . TYR A 1 110 ? -3.330 86.380 -5.187 1.00 16.93 ? 110 TYR A O 1 ATOM 828 C CB . TYR A 1 110 ? -1.652 88.794 -6.599 1.00 15.93 ? 110 TYR A CB 1 ATOM 829 C CG . TYR A 1 110 ? -0.227 88.999 -7.036 1.00 14.31 ? 110 TYR A CG 1 ATOM 830 C CD1 . TYR A 1 110 ? 0.679 89.672 -6.223 1.00 14.94 ? 110 TYR A CD1 1 ATOM 831 C CD2 . TYR A 1 110 ? 0.219 88.530 -8.237 1.00 13.47 ? 110 TYR A CD2 1 ATOM 832 C CE1 . TYR A 1 110 ? 1.977 89.820 -6.585 1.00 15.08 ? 110 TYR A CE1 1 ATOM 833 C CE2 . TYR A 1 110 ? 1.552 88.710 -8.611 1.00 12.02 ? 110 TYR A CE2 1 ATOM 834 C CZ . TYR A 1 110 ? 2.407 89.360 -7.763 1.00 12.10 ? 110 TYR A CZ 1 ATOM 835 O OH . TYR A 1 110 ? 3.737 89.515 -8.106 1.00 14.39 ? 110 TYR A OH 1 ATOM 836 N N . LEU A 1 111 ? -4.023 88.466 -4.617 1.00 17.69 ? 111 LEU A N 1 ATOM 837 C CA . LEU A 1 111 ? -5.425 88.088 -4.448 1.00 17.81 ? 111 LEU A CA 1 ATOM 838 C C . LEU A 1 111 ? -6.198 88.291 -5.729 1.00 18.36 ? 111 LEU A C 1 ATOM 839 O O . LEU A 1 111 ? -6.319 89.435 -6.202 1.00 17.64 ? 111 LEU A O 1 ATOM 840 C CB . LEU A 1 111 ? -6.066 88.882 -3.280 1.00 18.67 ? 111 LEU A CB 1 ATOM 841 C CG . LEU A 1 111 ? -7.392 88.260 -2.798 1.00 17.44 ? 111 LEU A CG 1 ATOM 842 C CD1 . LEU A 1 111 ? -7.200 86.901 -2.094 1.00 18.86 ? 111 LEU A CD1 1 ATOM 843 C CD2 . LEU A 1 111 ? -8.112 89.197 -1.878 1.00 19.00 ? 111 LEU A CD2 1 ATOM 844 N N . LEU A 1 112 ? -6.775 87.198 -6.252 1.00 17.46 ? 112 LEU A N 1 ATOM 845 C CA . LEU A 1 112 ? -7.637 87.251 -7.437 1.00 17.16 ? 112 LEU A CA 1 ATOM 846 C C . LEU A 1 112 ? -9.068 87.369 -7.071 1.00 16.89 ? 112 LEU A C 1 ATOM 847 O O . LEU A 1 112 ? -9.509 86.819 -6.084 1.00 16.72 ? 112 LEU A O 1 ATOM 848 C CB . LEU A 1 112 ? -7.513 86.002 -8.326 1.00 17.54 ? 112 LEU A CB 1 ATOM 849 C CG . LEU A 1 112 ? -6.233 85.724 -9.127 1.00 16.70 ? 112 LEU A CG 1 ATOM 850 C CD1 . LEU A 1 112 ? -6.130 84.286 -9.568 1.00 13.94 ? 112 LEU A CD1 1 ATOM 851 C CD2 . LEU A 1 112 ? -6.227 86.582 -10.339 1.00 15.92 ? 112 LEU A CD2 1 ATOM 852 N N . ASP A 1 113 ? -9.834 88.062 -7.881 1.00 18.19 ? 113 ASP A N 1 ATOM 853 C CA . ASP A 1 113 ? -11.245 88.120 -7.603 1.00 19.98 ? 113 ASP A CA 1 ATOM 854 C C . ASP A 1 113 ? -11.884 86.729 -7.873 1.00 20.14 ? 113 ASP A C 1 ATOM 855 O O . ASP A 1 113 ? -11.200 85.789 -8.274 1.00 20.03 ? 113 ASP A O 1 ATOM 856 C CB . ASP A 1 113 ? -11.904 89.316 -8.314 1.00 20.74 ? 113 ASP A CB 1 ATOM 857 C CG . ASP A 1 113 ? -12.161 89.096 -9.805 1.00 23.99 ? 113 ASP A CG 1 ATOM 858 O OD1 . ASP A 1 113 ? -12.267 87.935 -10.278 1.00 29.39 ? 113 ASP A OD1 1 ATOM 859 O OD2 . ASP A 1 113 ? -12.336 90.057 -10.584 1.00 30.08 ? 113 ASP A OD2 1 ATOM 860 N N . LYS A 1 114 ? -13.181 86.594 -7.651 1.00 20.67 ? 114 LYS A N 1 ATOM 861 C CA . LYS A 1 114 ? -13.830 85.309 -7.763 1.00 21.38 ? 114 LYS A CA 1 ATOM 862 C C . LYS A 1 114 ? -13.861 84.763 -9.199 1.00 22.25 ? 114 LYS A C 1 ATOM 863 O O . LYS A 1 114 ? -14.212 83.603 -9.394 1.00 23.97 ? 114 LYS A O 1 ATOM 864 C CB . LYS A 1 114 ? -15.244 85.360 -7.182 1.00 22.16 ? 114 LYS A CB 1 ATOM 865 C CG . LYS A 1 114 ? -16.214 86.233 -7.955 1.00 23.42 ? 114 LYS A CG 1 ATOM 866 C CD . LYS A 1 114 ? -17.556 86.421 -7.236 1.00 24.57 ? 114 LYS A CD 1 ATOM 867 C CE . LYS A 1 114 ? -18.349 87.478 -7.958 1.00 29.65 ? 114 LYS A CE 1 ATOM 868 N NZ . LYS A 1 114 ? -19.852 87.186 -8.013 1.00 32.73 ? 114 LYS A NZ 1 ATOM 869 N N . THR A 1 115 ? -13.508 85.564 -10.217 1.00 21.27 ? 115 THR A N 1 ATOM 870 C CA . THR A 1 115 ? -13.600 85.127 -11.607 1.00 20.17 ? 115 THR A CA 1 ATOM 871 C C . THR A 1 115 ? -12.296 84.496 -12.082 1.00 19.82 ? 115 THR A C 1 ATOM 872 O O . THR A 1 115 ? -12.267 83.839 -13.136 1.00 18.97 ? 115 THR A O 1 ATOM 873 C CB . THR A 1 115 ? -14.015 86.285 -12.526 1.00 20.91 ? 115 THR A CB 1 ATOM 874 O OG1 . THR A 1 115 ? -13.018 87.335 -12.488 1.00 18.79 ? 115 THR A OG1 1 ATOM 875 C CG2 . THR A 1 115 ? -15.320 86.949 -12.027 1.00 18.18 ? 115 THR A CG2 1 ATOM 876 N N . LYS A 1 116 ? -11.246 84.706 -11.278 1.00 19.69 ? 116 LYS A N 1 ATOM 877 C CA . LYS A 1 116 ? -9.887 84.302 -11.481 1.00 19.86 ? 116 LYS A CA 1 ATOM 878 C C . LYS A 1 116 ? -9.195 85.039 -12.587 1.00 19.73 ? 116 LYS A C 1 ATOM 879 O O . LYS A 1 116 ? -8.011 84.770 -12.852 1.00 19.45 ? 116 LYS A O 1 ATOM 880 C CB . LYS A 1 116 ? -9.761 82.784 -11.741 1.00 19.68 ? 116 LYS A CB 1 ATOM 881 C CG . LYS A 1 116 ? -10.393 81.855 -10.671 1.00 20.19 ? 116 LYS A CG 1 ATOM 882 C CD . LYS A 1 116 ? -10.382 80.412 -11.202 1.00 20.98 ? 116 LYS A CD 1 ATOM 883 C CE . LYS A 1 116 ? -10.838 79.385 -10.204 1.00 23.34 ? 116 LYS A CE 1 ATOM 884 N NZ . LYS A 1 116 ? -10.110 78.111 -10.519 1.00 24.94 ? 116 LYS A NZ 1 ATOM 885 N N . ARG A 1 117 ? -9.890 85.927 -13.268 1.00 20.64 ? 117 ARG A N 1 ATOM 886 C CA . ARG A 1 117 ? -9.235 86.686 -14.372 1.00 22.09 ? 117 ARG A CA 1 ATOM 887 C C . ARG A 1 117 ? -8.860 88.143 -14.094 1.00 21.14 ? 117 ARG A C 1 ATOM 888 O O . ARG A 1 117 ? -8.211 88.787 -14.946 1.00 21.21 ? 117 ARG A O 1 ATOM 889 C CB . ARG A 1 117 ? -10.091 86.630 -15.616 1.00 23.75 ? 117 ARG A CB 1 ATOM 890 C CG . ARG A 1 117 ? -9.960 85.239 -16.275 1.00 30.60 ? 117 ARG A CG 1 ATOM 891 C CD . ARG A 1 117 ? -9.569 85.246 -17.781 1.00 36.52 ? 117 ARG A CD 1 ATOM 892 N NE . ARG A 1 117 ? -8.116 85.216 -17.990 1.00 39.30 ? 117 ARG A NE 1 ATOM 893 C CZ . ARG A 1 117 ? -7.550 84.886 -19.145 1.00 40.82 ? 117 ARG A CZ 1 ATOM 894 N NH1 . ARG A 1 117 ? -8.310 84.549 -20.191 1.00 44.66 ? 117 ARG A NH1 1 ATOM 895 N NH2 . ARG A 1 117 ? -6.228 84.847 -19.255 1.00 42.95 ? 117 ARG A NH2 1 ATOM 896 N N . ARG A 1 118 ? -9.225 88.638 -12.915 1.00 19.86 ? 118 ARG A N 1 ATOM 897 C CA . ARG A 1 118 ? -8.831 89.999 -12.494 1.00 19.68 ? 118 ARG A CA 1 ATOM 898 C C . ARG A 1 118 ? -8.374 89.942 -11.046 1.00 18.22 ? 118 ARG A C 1 ATOM 899 O O . ARG A 1 118 ? -8.890 89.180 -10.242 1.00 17.23 ? 118 ARG A O 1 ATOM 900 C CB A ARG A 1 118 ? -10.096 90.891 -12.545 0.50 19.70 ? 118 ARG A CB 1 ATOM 901 C CB B ARG A 1 118 ? -9.965 91.014 -12.689 0.50 19.36 ? 118 ARG A CB 1 ATOM 902 C CG A ARG A 1 118 ? -10.037 92.221 -13.255 0.50 20.73 ? 118 ARG A CG 1 ATOM 903 C CG B ARG A 1 118 ? -10.258 91.398 -14.152 0.50 19.27 ? 118 ARG A CG 1 ATOM 904 C CD A ARG A 1 118 ? -11.399 92.943 -13.341 0.50 20.07 ? 118 ARG A CD 1 ATOM 905 C CD B ARG A 1 118 ? -11.445 92.363 -14.260 0.50 21.22 ? 118 ARG A CD 1 ATOM 906 N NE A ARG A 1 118 ? -11.268 94.329 -13.785 0.50 21.36 ? 118 ARG A NE 1 ATOM 907 N NE B ARG A 1 118 ? -11.648 93.043 -15.540 0.50 20.76 ? 118 ARG A NE 1 ATOM 908 C CZ A ARG A 1 118 ? -11.474 95.410 -13.029 0.50 19.58 ? 118 ARG A CZ 1 ATOM 909 C CZ B ARG A 1 118 ? -11.927 92.434 -16.674 0.50 24.44 ? 118 ARG A CZ 1 ATOM 910 N NH1 A ARG A 1 118 ? -11.303 96.602 -13.572 0.50 21.45 ? 118 ARG A NH1 1 ATOM 911 N NH1 B ARG A 1 118 ? -11.957 91.091 -16.766 0.50 25.40 ? 118 ARG A NH1 1 ATOM 912 N NH2 A ARG A 1 118 ? -11.830 95.326 -11.753 0.50 15.11 ? 118 ARG A NH2 1 ATOM 913 N NH2 B ARG A 1 118 ? -12.135 93.172 -17.753 0.50 26.43 ? 118 ARG A NH2 1 ATOM 914 N N . TYR A 1 119 ? -7.418 90.774 -10.673 1.00 17.56 ? 119 TYR A N 1 ATOM 915 C CA . TYR A 1 119 ? -7.110 90.904 -9.287 1.00 17.05 ? 119 TYR A CA 1 ATOM 916 C C . TYR A 1 119 ? -8.318 91.551 -8.574 1.00 17.64 ? 119 TYR A C 1 ATOM 917 O O . TYR A 1 119 ? -9.065 92.296 -9.179 1.00 17.94 ? 119 TYR A O 1 ATOM 918 C CB . TYR A 1 119 ? -5.889 91.729 -9.108 1.00 16.20 ? 119 TYR A CB 1 ATOM 919 C CG . TYR A 1 119 ? -4.700 91.123 -9.745 1.00 16.08 ? 119 TYR A CG 1 ATOM 920 C CD1 . TYR A 1 119 ? -4.168 89.923 -9.268 1.00 14.65 ? 119 TYR A CD1 1 ATOM 921 C CD2 . TYR A 1 119 ? -4.084 91.734 -10.799 1.00 14.72 ? 119 TYR A CD2 1 ATOM 922 C CE1 . TYR A 1 119 ? -3.075 89.373 -9.843 1.00 13.45 ? 119 TYR A CE1 1 ATOM 923 C CE2 . TYR A 1 119 ? -2.985 91.198 -11.361 1.00 15.42 ? 119 TYR A CE2 1 ATOM 924 C CZ . TYR A 1 119 ? -2.472 90.002 -10.889 1.00 14.18 ? 119 TYR A CZ 1 ATOM 925 O OH . TYR A 1 119 ? -1.356 89.449 -11.510 1.00 13.12 ? 119 TYR A OH 1 ATOM 926 N N . GLU A 1 120 ? -8.488 91.220 -7.307 1.00 17.71 ? 120 GLU A N 1 ATOM 927 C CA . GLU A 1 120 ? -9.421 91.854 -6.453 1.00 18.86 ? 120 GLU A CA 1 ATOM 928 C C . GLU A 1 120 ? -8.838 93.235 -6.186 1.00 20.24 ? 120 GLU A C 1 ATOM 929 O O . GLU A 1 120 ? -7.711 93.380 -5.664 1.00 21.95 ? 120 GLU A O 1 ATOM 930 C CB . GLU A 1 120 ? -9.584 91.030 -5.173 1.00 18.68 ? 120 GLU A CB 1 ATOM 931 C CG . GLU A 1 120 ? -10.600 91.542 -4.169 1.00 19.41 ? 120 GLU A CG 1 ATOM 932 C CD . GLU A 1 120 ? -12.035 91.340 -4.592 1.00 21.89 ? 120 GLU A CD 1 ATOM 933 O OE1 . GLU A 1 120 ? -12.407 90.216 -4.958 1.00 27.01 ? 120 GLU A OE1 1 ATOM 934 O OE2 . GLU A 1 120 ? -12.829 92.297 -4.502 1.00 25.18 ? 120 GLU A OE2 1 ATOM 935 N N . MET A 1 121 ? -9.589 94.255 -6.583 1.00 21.23 ? 121 MET A N 1 ATOM 936 C CA . MET A 1 121 ? -9.151 95.647 -6.473 1.00 20.44 ? 121 MET A CA 1 ATOM 937 C C . MET A 1 121 ? -9.739 96.237 -5.194 1.00 21.26 ? 121 MET A C 1 ATOM 938 O O . MET A 1 121 ? -10.988 96.287 -4.981 1.00 21.99 ? 121 MET A O 1 ATOM 939 C CB . MET A 1 121 ? -9.552 96.419 -7.721 1.00 20.60 ? 121 MET A CB 1 ATOM 940 C CG . MET A 1 121 ? -9.050 95.768 -9.018 1.00 21.63 ? 121 MET A CG 1 ATOM 941 S SD . MET A 1 121 ? -7.235 95.571 -9.112 1.00 24.11 ? 121 MET A SD 1 ATOM 942 C CE . MET A 1 121 ? -6.789 97.170 -8.902 1.00 24.53 ? 121 MET A CE 1 ATOM 943 N N . LEU A 1 122 ? -8.835 96.593 -4.293 1.00 20.99 ? 122 LEU A N 1 ATOM 944 C CA . LEU A 1 122 ? -9.246 97.129 -3.001 1.00 21.61 ? 122 LEU A CA 1 ATOM 945 C C . LEU A 1 122 ? -9.108 98.644 -3.118 1.00 22.13 ? 122 LEU A C 1 ATOM 946 O O . LEU A 1 122 ? -8.130 99.117 -3.681 1.00 21.84 ? 122 LEU A O 1 ATOM 947 C CB . LEU A 1 122 ? -8.368 96.598 -1.859 1.00 20.93 ? 122 LEU A CB 1 ATOM 948 C CG . LEU A 1 122 ? -8.528 95.166 -1.354 1.00 22.04 ? 122 LEU A CG 1 ATOM 949 C CD1 . LEU A 1 122 ? -7.937 94.153 -2.280 1.00 23.28 ? 122 LEU A CD1 1 ATOM 950 C CD2 . LEU A 1 122 ? -7.847 95.038 0.016 1.00 22.16 ? 122 LEU A CD2 1 ATOM 951 N N . HIS A 1 123 ? -10.111 99.368 -2.621 1.00 22.63 ? 123 HIS A N 1 ATOM 952 C CA . HIS A 1 123 ? -10.115 100.847 -2.536 1.00 22.93 ? 123 HIS A CA 1 ATOM 953 C C . HIS A 1 123 ? -10.318 101.218 -1.059 1.00 22.82 ? 123 HIS A C 1 ATOM 954 O O . HIS A 1 123 ? -11.447 101.224 -0.572 1.00 22.72 ? 123 HIS A O 1 ATOM 955 C CB . HIS A 1 123 ? -11.270 101.446 -3.380 1.00 23.57 ? 123 HIS A CB 1 ATOM 956 C CG . HIS A 1 123 ? -11.432 100.814 -4.729 1.00 23.19 ? 123 HIS A CG 1 ATOM 957 N ND1 . HIS A 1 123 ? -12.182 99.672 -4.922 1.00 23.30 ? 123 HIS A ND1 1 ATOM 958 C CD2 . HIS A 1 123 ? -10.937 101.160 -5.943 1.00 21.71 ? 123 HIS A CD2 1 ATOM 959 C CE1 . HIS A 1 123 ? -12.155 99.358 -6.208 1.00 23.49 ? 123 HIS A CE1 1 ATOM 960 N NE2 . HIS A 1 123 ? -11.411 100.246 -6.849 1.00 22.11 ? 123 HIS A NE2 1 ATOM 961 N N . LEU A 1 124 ? -9.212 101.524 -0.377 1.00 22.11 ? 124 LEU A N 1 ATOM 962 C CA . LEU A 1 124 ? -9.145 101.532 1.078 1.00 21.58 ? 124 LEU A CA 1 ATOM 963 C C . LEU A 1 124 ? -9.144 102.903 1.746 1.00 21.20 ? 124 LEU A C 1 ATOM 964 O O . LEU A 1 124 ? -9.317 103.005 2.930 1.00 21.41 ? 124 LEU A O 1 ATOM 965 C CB . LEU A 1 124 ? -7.919 100.733 1.508 1.00 21.43 ? 124 LEU A CB 1 ATOM 966 C CG . LEU A 1 124 ? -8.079 99.204 1.344 1.00 20.75 ? 124 LEU A CG 1 ATOM 967 C CD1 . LEU A 1 124 ? -6.906 98.526 1.965 1.00 20.72 ? 124 LEU A CD1 1 ATOM 968 C CD2 . LEU A 1 124 ? -9.325 98.746 1.993 1.00 19.62 ? 124 LEU A CD2 1 ATOM 969 N N . THR A 1 125 ? -8.991 103.958 0.965 1.00 21.70 ? 125 THR A N 1 ATOM 970 C CA . THR A 1 125 ? -9.116 105.319 1.493 1.00 21.02 ? 125 THR A CA 1 ATOM 971 C C . THR A 1 125 ? -10.476 105.513 2.128 1.00 21.29 ? 125 THR A C 1 ATOM 972 O O . THR A 1 125 ? -11.506 105.360 1.459 1.00 21.80 ? 125 THR A O 1 ATOM 973 C CB . THR A 1 125 ? -8.868 106.247 0.397 1.00 20.95 ? 125 THR A CB 1 ATOM 974 O OG1 . THR A 1 125 ? -7.541 105.979 -0.063 1.00 20.42 ? 125 THR A OG1 1 ATOM 975 C CG2 . THR A 1 125 ? -8.841 107.728 0.889 1.00 21.85 ? 125 THR A CG2 1 ATOM 976 N N . GLY A 1 126 ? -10.467 105.761 3.441 1.00 20.72 ? 126 GLY A N 1 ATOM 977 C CA . GLY A 1 126 ? -11.679 105.937 4.221 1.00 20.73 ? 126 GLY A CA 1 ATOM 978 C C . GLY A 1 126 ? -12.194 104.634 4.781 1.00 21.52 ? 126 GLY A C 1 ATOM 979 O O . GLY A 1 126 ? -13.311 104.576 5.272 1.00 20.74 ? 126 GLY A O 1 ATOM 980 N N . PHE A 1 127 ? -11.377 103.575 4.716 1.00 22.00 ? 127 PHE A N 1 ATOM 981 C CA . PHE A 1 127 ? -11.820 102.226 5.092 1.00 21.44 ? 127 PHE A CA 1 ATOM 982 C C . PHE A 1 127 ? -10.710 101.545 5.923 1.00 20.48 ? 127 PHE A C 1 ATOM 983 O O . PHE A 1 127 ? -9.668 102.134 6.138 1.00 20.79 ? 127 PHE A O 1 ATOM 984 C CB . PHE A 1 127 ? -12.190 101.430 3.820 1.00 22.73 ? 127 PHE A CB 1 ATOM 985 C CG . PHE A 1 127 ? -13.423 101.912 3.173 1.00 23.99 ? 127 PHE A CG 1 ATOM 986 C CD1 . PHE A 1 127 ? -14.666 101.581 3.688 1.00 27.15 ? 127 PHE A CD1 1 ATOM 987 C CD2 . PHE A 1 127 ? -13.361 102.737 2.064 1.00 28.18 ? 127 PHE A CD2 1 ATOM 988 C CE1 . PHE A 1 127 ? -15.819 102.051 3.111 1.00 27.12 ? 127 PHE A CE1 1 ATOM 989 C CE2 . PHE A 1 127 ? -14.512 103.222 1.464 1.00 26.96 ? 127 PHE A CE2 1 ATOM 990 C CZ . PHE A 1 127 ? -15.738 102.883 1.973 1.00 27.55 ? 127 PHE A CZ 1 ATOM 991 N N . GLU A 1 128 ? -10.942 100.339 6.400 1.00 19.43 ? 128 GLU A N 1 ATOM 992 C CA . GLU A 1 128 ? -9.923 99.632 7.191 1.00 19.89 ? 128 GLU A CA 1 ATOM 993 C C . GLU A 1 128 ? -9.729 98.239 6.640 1.00 20.00 ? 128 GLU A C 1 ATOM 994 O O . GLU A 1 128 ? -10.692 97.651 6.123 1.00 18.52 ? 128 GLU A O 1 ATOM 995 C CB . GLU A 1 128 ? -10.270 99.557 8.670 1.00 19.74 ? 128 GLU A CB 1 ATOM 996 C CG . GLU A 1 128 ? -11.417 98.675 9.096 1.00 21.22 ? 128 GLU A CG 1 ATOM 997 C CD . GLU A 1 128 ? -11.836 98.878 10.557 1.00 21.05 ? 128 GLU A CD 1 ATOM 998 O OE1 . GLU A 1 128 ? -11.574 99.965 11.139 1.00 24.07 ? 128 GLU A OE1 1 ATOM 999 O OE2 . GLU A 1 128 ? -12.478 97.954 11.150 1.00 16.72 ? 128 GLU A OE2 1 ATOM 1000 N N . PHE A 1 129 ? -8.466 97.774 6.707 1.00 19.55 ? 129 PHE A N 1 ATOM 1001 C CA . PHE A 1 129 ? -8.051 96.393 6.321 1.00 19.14 ? 129 PHE A CA 1 ATOM 1002 C C . PHE A 1 129 ? -7.593 95.687 7.564 1.00 19.23 ? 129 PHE A C 1 ATOM 1003 O O . PHE A 1 129 ? -6.790 96.243 8.288 1.00 18.03 ? 129 PHE A O 1 ATOM 1004 C CB . PHE A 1 129 ? -6.890 96.386 5.328 1.00 17.96 ? 129 PHE A CB 1 ATOM 1005 C CG . PHE A 1 129 ? -6.621 95.023 4.751 1.00 19.70 ? 129 PHE A CG 1 ATOM 1006 C CD1 . PHE A 1 129 ? -5.767 94.132 5.404 1.00 19.84 ? 129 PHE A CD1 1 ATOM 1007 C CD2 . PHE A 1 129 ? -7.224 94.608 3.580 1.00 15.88 ? 129 PHE A CD2 1 ATOM 1008 C CE1 . PHE A 1 129 ? -5.515 92.875 4.878 1.00 17.92 ? 129 PHE A CE1 1 ATOM 1009 C CE2 . PHE A 1 129 ? -6.976 93.336 3.073 1.00 18.87 ? 129 PHE A CE2 1 ATOM 1010 C CZ . PHE A 1 129 ? -6.143 92.478 3.726 1.00 16.39 ? 129 PHE A CZ 1 ATOM 1011 N N . THR A 1 130 ? -8.083 94.473 7.805 1.00 19.37 ? 130 THR A N 1 ATOM 1012 C CA . THR A 1 130 ? -7.721 93.702 9.013 1.00 20.04 ? 130 THR A CA 1 ATOM 1013 C C . THR A 1 130 ? -7.435 92.236 8.619 1.00 20.65 ? 130 THR A C 1 ATOM 1014 O O . THR A 1 130 ? -8.026 91.701 7.665 1.00 19.13 ? 130 THR A O 1 ATOM 1015 C CB . THR A 1 130 ? -8.901 93.785 10.045 1.00 20.99 ? 130 THR A CB 1 ATOM 1016 O OG1 . THR A 1 130 ? -9.075 95.142 10.488 1.00 21.27 ? 130 THR A OG1 1 ATOM 1017 C CG2 . THR A 1 130 ? -8.610 93.041 11.305 1.00 20.26 ? 130 THR A CG2 1 ATOM 1018 N N . PHE A 1 131 ? -6.534 91.609 9.377 1.00 21.15 ? 131 PHE A N 1 ATOM 1019 C CA . PHE A 1 131 ? -6.211 90.198 9.244 1.00 20.62 ? 131 PHE A CA 1 ATOM 1020 C C . PHE A 1 131 ? -5.613 89.656 10.562 1.00 21.19 ? 131 PHE A C 1 ATOM 1021 O O . PHE A 1 131 ? -5.055 90.417 11.385 1.00 20.99 ? 131 PHE A O 1 ATOM 1022 C CB . PHE A 1 131 ? -5.222 89.968 8.098 1.00 19.31 ? 131 PHE A CB 1 ATOM 1023 C CG . PHE A 1 131 ? -3.858 90.611 8.302 1.00 20.25 ? 131 PHE A CG 1 ATOM 1024 C CD1 . PHE A 1 131 ? -3.644 91.965 8.001 1.00 17.63 ? 131 PHE A CD1 1 ATOM 1025 C CD2 . PHE A 1 131 ? -2.778 89.872 8.709 1.00 20.15 ? 131 PHE A CD2 1 ATOM 1026 C CE1 . PHE A 1 131 ? -2.403 92.548 8.186 1.00 18.41 ? 131 PHE A CE1 1 ATOM 1027 C CE2 . PHE A 1 131 ? -1.530 90.463 8.882 1.00 14.86 ? 131 PHE A CE2 1 ATOM 1028 C CZ . PHE A 1 131 ? -1.360 91.791 8.654 1.00 19.30 ? 131 PHE A CZ 1 ATOM 1029 N N . ASP A 1 132 ? -5.800 88.362 10.762 1.00 20.51 ? 132 ASP A N 1 ATOM 1030 C CA . ASP A 1 132 ? -5.163 87.597 11.840 1.00 21.09 ? 132 ASP A CA 1 ATOM 1031 C C . ASP A 1 132 ? -3.834 87.053 11.330 1.00 20.63 ? 132 ASP A C 1 ATOM 1032 O O . ASP A 1 132 ? -3.694 86.781 10.171 1.00 20.91 ? 132 ASP A O 1 ATOM 1033 C CB . ASP A 1 132 ? -6.077 86.456 12.258 1.00 21.07 ? 132 ASP A CB 1 ATOM 1034 C CG . ASP A 1 132 ? -7.427 86.954 12.658 1.00 23.39 ? 132 ASP A CG 1 ATOM 1035 O OD1 . ASP A 1 132 ? -7.482 88.174 12.934 1.00 27.52 ? 132 ASP A OD1 1 ATOM 1036 O OD2 . ASP A 1 132 ? -8.480 86.250 12.699 1.00 27.90 ? 132 ASP A OD2 1 ATOM 1037 N N . VAL A 1 133 ? -2.843 86.942 12.192 1.00 21.02 ? 133 VAL A N 1 ATOM 1038 C CA . VAL A 1 133 ? -1.545 86.414 11.775 1.00 20.20 ? 133 VAL A CA 1 ATOM 1039 C C . VAL A 1 133 ? -0.925 85.561 12.838 1.00 19.31 ? 133 VAL A C 1 ATOM 1040 O O . VAL A 1 133 ? -1.146 85.756 14.008 1.00 16.94 ? 133 VAL A O 1 ATOM 1041 C CB . VAL A 1 133 ? -0.579 87.555 11.399 1.00 20.17 ? 133 VAL A CB 1 ATOM 1042 C CG1 . VAL A 1 133 ? -0.286 88.412 12.570 1.00 21.44 ? 133 VAL A CG1 1 ATOM 1043 C CG2 . VAL A 1 133 ? 0.686 87.026 10.796 1.00 20.62 ? 133 VAL A CG2 1 ATOM 1044 N N . ASP A 1 134 ? -0.106 84.615 12.391 1.00 19.67 ? 134 ASP A N 1 ATOM 1045 C CA . ASP A 1 134 ? 0.763 83.865 13.267 1.00 18.71 ? 134 ASP A CA 1 ATOM 1046 C C . ASP A 1 134 ? 2.210 84.119 12.805 1.00 18.54 ? 134 ASP A C 1 ATOM 1047 O O . ASP A 1 134 ? 2.624 83.678 11.742 1.00 17.40 ? 134 ASP A O 1 ATOM 1048 C CB . ASP A 1 134 ? 0.389 82.416 13.169 1.00 19.97 ? 134 ASP A CB 1 ATOM 1049 C CG . ASP A 1 134 ? 1.242 81.531 14.068 1.00 20.85 ? 134 ASP A CG 1 ATOM 1050 O OD1 . ASP A 1 134 ? 2.411 81.912 14.413 1.00 23.67 ? 134 ASP A OD1 1 ATOM 1051 O OD2 . ASP A 1 134 ? 0.769 80.443 14.479 1.00 24.09 ? 134 ASP A OD2 1 ATOM 1052 N N . ALA A 1 135 ? 2.952 84.893 13.602 1.00 17.92 ? 135 ALA A N 1 ATOM 1053 C CA . ALA A 1 135 ? 4.313 85.293 13.261 1.00 18.28 ? 135 ALA A CA 1 ATOM 1054 C C . ALA A 1 135 ? 5.365 84.523 14.042 1.00 17.19 ? 135 ALA A C 1 ATOM 1055 O O . ALA A 1 135 ? 6.514 84.877 14.033 1.00 17.07 ? 135 ALA A O 1 ATOM 1056 C CB . ALA A 1 135 ? 4.473 86.792 13.522 1.00 17.21 ? 135 ALA A CB 1 ATOM 1057 N N . THR A 1 136 ? 4.971 83.495 14.764 1.00 18.55 ? 136 THR A N 1 ATOM 1058 C CA . THR A 1 136 ? 5.916 82.793 15.669 1.00 19.34 ? 136 THR A CA 1 ATOM 1059 C C . THR A 1 136 ? 7.167 82.254 14.934 1.00 19.14 ? 136 THR A C 1 ATOM 1060 O O . THR A 1 136 ? 8.228 82.191 15.527 1.00 20.06 ? 136 THR A O 1 ATOM 1061 C CB . THR A 1 136 ? 5.243 81.614 16.417 1.00 19.13 ? 136 THR A CB 1 ATOM 1062 O OG1 . THR A 1 136 ? 4.624 80.723 15.470 1.00 21.39 ? 136 THR A OG1 1 ATOM 1063 C CG2 . THR A 1 136 ? 4.094 82.085 17.238 1.00 21.27 ? 136 THR A CG2 1 ATOM 1064 N N . LYS A 1 137 ? 7.039 81.871 13.665 1.00 18.99 ? 137 LYS A N 1 ATOM 1065 C CA . LYS A 1 137 ? 8.142 81.183 12.958 1.00 19.41 ? 137 LYS A CA 1 ATOM 1066 C C . LYS A 1 137 ? 8.891 82.131 12.056 1.00 18.91 ? 137 LYS A C 1 ATOM 1067 O O . LYS A 1 137 ? 9.442 81.715 11.069 1.00 18.90 ? 137 LYS A O 1 ATOM 1068 C CB . LYS A 1 137 ? 7.590 79.981 12.171 1.00 20.26 ? 137 LYS A CB 1 ATOM 1069 C CG . LYS A 1 137 ? 6.961 78.907 13.099 1.00 22.39 ? 137 LYS A CG 1 ATOM 1070 C CD . LYS A 1 137 ? 6.654 77.560 12.403 1.00 22.67 ? 137 LYS A CD 1 ATOM 1071 C CE . LYS A 1 137 ? 7.852 76.832 11.694 1.00 26.74 ? 137 LYS A CE 1 ATOM 1072 N NZ . LYS A 1 137 ? 7.440 75.678 10.691 1.00 24.15 ? 137 LYS A NZ 1 ATOM 1073 N N . LEU A 1 138 ? 8.907 83.419 12.423 1.00 18.01 ? 138 LEU A N 1 ATOM 1074 C CA . LEU A 1 138 ? 9.585 84.456 11.692 1.00 18.83 ? 138 LEU A CA 1 ATOM 1075 C C . LEU A 1 138 ? 10.579 85.097 12.650 1.00 19.08 ? 138 LEU A C 1 ATOM 1076 O O . LEU A 1 138 ? 10.230 85.885 13.549 1.00 17.81 ? 138 LEU A O 1 ATOM 1077 C CB . LEU A 1 138 ? 8.599 85.495 11.144 1.00 18.43 ? 138 LEU A CB 1 ATOM 1078 C CG . LEU A 1 138 ? 7.454 85.015 10.254 1.00 19.00 ? 138 LEU A CG 1 ATOM 1079 C CD1 . LEU A 1 138 ? 6.384 86.104 10.164 1.00 21.91 ? 138 LEU A CD1 1 ATOM 1080 C CD2 . LEU A 1 138 ? 7.849 84.651 8.901 1.00 22.35 ? 138 LEU A CD2 1 ATOM 1081 N N . PRO A 1 139 ? 11.817 84.646 12.569 1.00 19.67 ? 139 PRO A N 1 ATOM 1082 C CA . PRO A 1 139 ? 12.841 85.251 13.358 1.00 20.16 ? 139 PRO A CA 1 ATOM 1083 C C . PRO A 1 139 ? 13.408 86.493 12.699 1.00 21.60 ? 139 PRO A C 1 ATOM 1084 O O . PRO A 1 139 ? 13.049 86.895 11.591 1.00 21.22 ? 139 PRO A O 1 ATOM 1085 C CB . PRO A 1 139 ? 13.924 84.156 13.389 1.00 20.62 ? 139 PRO A CB 1 ATOM 1086 C CG . PRO A 1 139 ? 13.753 83.456 12.109 1.00 19.68 ? 139 PRO A CG 1 ATOM 1087 C CD . PRO A 1 139 ? 12.304 83.474 11.808 1.00 18.78 ? 139 PRO A CD 1 ATOM 1088 N N . CYS A 1 140 ? 14.371 87.043 13.375 1.00 23.03 ? 140 CYS A N 1 ATOM 1089 C CA . CYS A 1 140 ? 15.231 88.030 12.804 1.00 22.95 ? 140 CYS A CA 1 ATOM 1090 C C . CYS A 1 140 ? 15.632 87.791 11.342 1.00 22.53 ? 140 CYS A C 1 ATOM 1091 O O . CYS A 1 140 ? 16.186 86.754 11.009 1.00 21.13 ? 140 CYS A O 1 ATOM 1092 C CB A CYS A 1 140 ? 16.542 88.086 13.574 0.50 23.37 ? 140 CYS A CB 1 ATOM 1093 C CB B CYS A 1 140 ? 16.472 88.120 13.649 0.50 23.26 ? 140 CYS A CB 1 ATOM 1094 S SG A CYS A 1 140 ? 16.497 88.800 15.198 0.50 26.71 ? 140 CYS A SG 1 ATOM 1095 S SG B CYS A 1 140 ? 17.135 89.737 13.476 0.50 26.66 ? 140 CYS A SG 1 ATOM 1096 N N . GLY A 1 141 ? 15.433 88.812 10.508 1.00 20.69 ? 141 GLY A N 1 ATOM 1097 C CA . GLY A 1 141 ? 15.892 88.807 9.123 1.00 20.59 ? 141 GLY A CA 1 ATOM 1098 C C . GLY A 1 141 ? 14.859 88.366 8.118 1.00 19.39 ? 141 GLY A C 1 ATOM 1099 O O . GLY A 1 141 ? 15.043 88.545 6.910 1.00 19.09 ? 141 GLY A O 1 ATOM 1100 N N . MET A 1 142 ? 13.802 87.755 8.622 1.00 18.77 ? 142 MET A N 1 ATOM 1101 C CA . MET A 1 142 ? 12.678 87.330 7.809 1.00 19.62 ? 142 MET A CA 1 ATOM 1102 C C . MET A 1 142 ? 11.680 88.466 7.684 1.00 20.09 ? 142 MET A C 1 ATOM 1103 O O . MET A 1 142 ? 11.555 89.278 8.615 1.00 20.61 ? 142 MET A O 1 ATOM 1104 C CB . MET A 1 142 ? 11.936 86.140 8.432 1.00 18.53 ? 142 MET A CB 1 ATOM 1105 C CG . MET A 1 142 ? 12.605 84.815 8.277 1.00 19.96 ? 142 MET A CG 1 ATOM 1106 S SD . MET A 1 142 ? 13.065 84.216 6.633 1.00 20.11 ? 142 MET A SD 1 ATOM 1107 C CE . MET A 1 142 ? 11.627 84.429 5.861 1.00 19.62 ? 142 MET A CE 1 ATOM 1108 N N . ASN A 1 143 ? 10.946 88.456 6.562 1.00 19.76 ? 143 ASN A N 1 ATOM 1109 C CA . ASN A 1 143 ? 9.928 89.476 6.223 1.00 19.37 ? 143 ASN A CA 1 ATOM 1110 C C . ASN A 1 143 ? 8.683 88.772 5.688 1.00 18.51 ? 143 ASN A C 1 ATOM 1111 O O . ASN A 1 143 ? 8.686 88.231 4.578 1.00 17.72 ? 143 ASN A O 1 ATOM 1112 C CB . ASN A 1 143 ? 10.563 90.501 5.246 1.00 19.04 ? 143 ASN A CB 1 ATOM 1113 C CG . ASN A 1 143 ? 9.703 91.722 4.996 1.00 19.03 ? 143 ASN A CG 1 ATOM 1114 O OD1 . ASN A 1 143 ? 8.523 91.664 5.055 1.00 17.84 ? 143 ASN A OD1 1 ATOM 1115 N ND2 . ASN A 1 143 ? 10.333 92.810 4.615 1.00 18.44 ? 143 ASN A ND2 1 ATOM 1116 N N . SER A 1 144 ? 7.656 88.664 6.532 1.00 18.12 ? 144 SER A N 1 ATOM 1117 C CA . SER A 1 144 ? 6.308 88.391 6.032 1.00 18.78 ? 144 SER A CA 1 ATOM 1118 C C . SER A 1 144 ? 5.731 89.755 5.640 1.00 18.24 ? 144 SER A C 1 ATOM 1119 O O . SER A 1 144 ? 5.722 90.677 6.460 1.00 17.44 ? 144 SER A O 1 ATOM 1120 C CB . SER A 1 144 ? 5.387 87.702 7.030 1.00 18.48 ? 144 SER A CB 1 ATOM 1121 O OG . SER A 1 144 ? 5.229 88.419 8.234 1.00 22.51 ? 144 SER A OG 1 ATOM 1122 N N . ALA A 1 145 ? 5.308 89.858 4.382 1.00 17.82 ? 145 ALA A N 1 ATOM 1123 C CA . ALA A 1 145 ? 4.688 91.068 3.830 1.00 18.01 ? 145 ALA A CA 1 ATOM 1124 C C . ALA A 1 145 ? 3.279 90.845 3.389 1.00 17.88 ? 145 ALA A C 1 ATOM 1125 O O . ALA A 1 145 ? 2.881 89.755 2.943 1.00 17.18 ? 145 ALA A O 1 ATOM 1126 C CB . ALA A 1 145 ? 5.509 91.620 2.724 1.00 18.11 ? 145 ALA A CB 1 ATOM 1127 N N . LEU A 1 146 ? 2.479 91.871 3.610 1.00 17.16 ? 146 LEU A N 1 ATOM 1128 C CA . LEU A 1 146 ? 1.117 91.946 3.099 1.00 16.78 ? 146 LEU A CA 1 ATOM 1129 C C . LEU A 1 146 ? 0.981 93.418 2.777 1.00 17.10 ? 146 LEU A C 1 ATOM 1130 O O . LEU A 1 146 ? 1.237 94.267 3.632 1.00 16.94 ? 146 LEU A O 1 ATOM 1131 C CB . LEU A 1 146 ? 0.116 91.527 4.153 1.00 17.16 ? 146 LEU A CB 1 ATOM 1132 C CG . LEU A 1 146 ? -1.349 91.579 3.779 1.00 17.66 ? 146 LEU A CG 1 ATOM 1133 C CD1 . LEU A 1 146 ? -2.121 90.584 4.555 1.00 18.55 ? 146 LEU A CD1 1 ATOM 1134 C CD2 . LEU A 1 146 ? -1.893 93.018 4.025 1.00 19.99 ? 146 LEU A CD2 1 ATOM 1135 N N . TYR A 1 147 ? 0.670 93.717 1.524 1.00 16.63 ? 147 TYR A N 1 ATOM 1136 C CA . TYR A 1 147 ? 0.845 95.037 0.977 1.00 16.47 ? 147 TYR A CA 1 ATOM 1137 C C . TYR A 1 147 ? 0.087 95.158 -0.305 1.00 17.18 ? 147 TYR A C 1 ATOM 1138 O O . TYR A 1 147 ? -0.457 94.138 -0.795 1.00 16.02 ? 147 TYR A O 1 ATOM 1139 C CB . TYR A 1 147 ? 2.313 95.369 0.739 1.00 16.67 ? 147 TYR A CB 1 ATOM 1140 C CG . TYR A 1 147 ? 3.077 94.598 -0.294 1.00 15.55 ? 147 TYR A CG 1 ATOM 1141 C CD1 . TYR A 1 147 ? 3.678 93.402 0.046 1.00 15.42 ? 147 TYR A CD1 1 ATOM 1142 C CD2 . TYR A 1 147 ? 3.314 95.118 -1.560 1.00 15.14 ? 147 TYR A CD2 1 ATOM 1143 C CE1 . TYR A 1 147 ? 4.497 92.688 -0.852 1.00 17.00 ? 147 TYR A CE1 1 ATOM 1144 C CE2 . TYR A 1 147 ? 4.105 94.405 -2.506 1.00 15.84 ? 147 TYR A CE2 1 ATOM 1145 C CZ . TYR A 1 147 ? 4.717 93.168 -2.100 1.00 16.68 ? 147 TYR A CZ 1 ATOM 1146 O OH . TYR A 1 147 ? 5.525 92.413 -2.949 1.00 14.84 ? 147 TYR A OH 1 ATOM 1147 N N . LEU A 1 148 ? 0.053 96.386 -0.827 1.00 16.24 ? 148 LEU A N 1 ATOM 1148 C CA . LEU A 1 148 ? -0.775 96.748 -1.971 1.00 17.36 ? 148 LEU A CA 1 ATOM 1149 C C . LEU A 1 148 ? 0.068 97.401 -2.997 1.00 17.25 ? 148 LEU A C 1 ATOM 1150 O O . LEU A 1 148 ? 0.901 98.217 -2.653 1.00 19.19 ? 148 LEU A O 1 ATOM 1151 C CB . LEU A 1 148 ? -1.845 97.754 -1.539 1.00 18.37 ? 148 LEU A CB 1 ATOM 1152 C CG . LEU A 1 148 ? -2.896 97.371 -0.507 1.00 18.74 ? 148 LEU A CG 1 ATOM 1153 C CD1 . LEU A 1 148 ? -3.558 98.687 0.027 1.00 19.07 ? 148 LEU A CD1 1 ATOM 1154 C CD2 . LEU A 1 148 ? -3.946 96.459 -1.079 1.00 19.90 ? 148 LEU A CD2 1 ATOM 1155 N N . SER A 1 149 ? -0.098 97.036 -4.257 1.00 17.78 ? 149 SER A N 1 ATOM 1156 C CA . SER A 1 149 ? 0.581 97.721 -5.375 1.00 17.43 ? 149 SER A CA 1 ATOM 1157 C C . SER A 1 149 ? -0.483 98.058 -6.399 1.00 17.73 ? 149 SER A C 1 ATOM 1158 O O . SER A 1 149 ? -1.518 97.368 -6.501 1.00 17.60 ? 149 SER A O 1 ATOM 1159 C CB . SER A 1 149 ? 1.650 96.869 -6.014 1.00 17.47 ? 149 SER A CB 1 ATOM 1160 O OG . SER A 1 149 ? 2.778 96.667 -5.148 1.00 18.63 ? 149 SER A OG 1 ATOM 1161 N N . GLU A 1 150 ? -0.241 99.146 -7.129 1.00 17.98 ? 150 GLU A N 1 ATOM 1162 C CA . GLU A 1 150 ? -1.145 99.636 -8.160 1.00 18.39 ? 150 GLU A CA 1 ATOM 1163 C C . GLU A 1 150 ? -0.849 98.961 -9.474 1.00 18.76 ? 150 GLU A C 1 ATOM 1164 O O . GLU A 1 150 ? -0.431 99.614 -10.432 1.00 19.69 ? 150 GLU A O 1 ATOM 1165 C CB . GLU A 1 150 ? -1.026 101.156 -8.350 1.00 18.18 ? 150 GLU A CB 1 ATOM 1166 C CG . GLU A 1 150 ? -2.348 101.752 -8.802 1.00 19.39 ? 150 GLU A CG 1 ATOM 1167 C CD . GLU A 1 150 ? -2.277 103.233 -9.148 1.00 22.24 ? 150 GLU A CD 1 ATOM 1168 O OE1 . GLU A 1 150 ? -1.232 103.868 -8.873 1.00 22.87 ? 150 GLU A OE1 1 ATOM 1169 O OE2 . GLU A 1 150 ? -3.282 103.726 -9.732 1.00 24.90 ? 150 GLU A OE2 1 ATOM 1170 N N . MET A 1 151 ? -0.970 97.631 -9.447 1.00 18.27 ? 151 MET A N 1 ATOM 1171 C CA . MET A 1 151 ? -0.940 96.767 -10.601 1.00 16.68 ? 151 MET A CA 1 ATOM 1172 C C . MET A 1 151 ? -2.245 96.885 -11.359 1.00 15.81 ? 151 MET A C 1 ATOM 1173 O O . MET A 1 151 ? -3.314 97.229 -10.784 1.00 15.21 ? 151 MET A O 1 ATOM 1174 C CB . MET A 1 151 ? -0.761 95.271 -10.131 1.00 16.32 ? 151 MET A CB 1 ATOM 1175 C CG . MET A 1 151 ? 0.612 95.038 -9.438 1.00 13.91 ? 151 MET A CG 1 ATOM 1176 S SD . MET A 1 151 ? 0.706 93.577 -8.365 1.00 17.61 ? 151 MET A SD 1 ATOM 1177 C CE . MET A 1 151 ? 0.092 92.278 -9.523 1.00 12.39 ? 151 MET A CE 1 ATOM 1178 N N . HIS A 1 152 ? -2.162 96.558 -12.652 1.00 15.26 ? 152 HIS A N 1 ATOM 1179 C CA . HIS A 1 152 ? -3.285 96.628 -13.529 1.00 16.46 ? 152 HIS A CA 1 ATOM 1180 C C . HIS A 1 152 ? -4.218 95.478 -13.185 1.00 16.44 ? 152 HIS A C 1 ATOM 1181 O O . HIS A 1 152 ? -3.737 94.368 -12.978 1.00 19.36 ? 152 HIS A O 1 ATOM 1182 C CB . HIS A 1 152 ? -2.827 96.519 -15.003 1.00 16.57 ? 152 HIS A CB 1 ATOM 1183 C CG . HIS A 1 152 ? -3.933 96.734 -15.978 1.00 15.21 ? 152 HIS A CG 1 ATOM 1184 N ND1 . HIS A 1 152 ? -4.782 95.722 -16.384 1.00 15.83 ? 152 HIS A ND1 1 ATOM 1185 C CD2 . HIS A 1 152 ? -4.379 97.867 -16.575 1.00 13.08 ? 152 HIS A CD2 1 ATOM 1186 C CE1 . HIS A 1 152 ? -5.689 96.224 -17.212 1.00 17.88 ? 152 HIS A CE1 1 ATOM 1187 N NE2 . HIS A 1 152 ? -5.449 97.517 -17.364 1.00 14.64 ? 152 HIS A NE2 1 ATOM 1188 N N . PRO A 1 153 ? -5.518 95.704 -13.147 1.00 15.86 ? 153 PRO A N 1 ATOM 1189 C CA . PRO A 1 153 ? -6.459 94.688 -12.735 1.00 15.90 ? 153 PRO A CA 1 ATOM 1190 C C . PRO A 1 153 ? -6.557 93.383 -13.505 1.00 16.57 ? 153 PRO A C 1 ATOM 1191 O O . PRO A 1 153 ? -7.059 92.405 -12.907 1.00 16.06 ? 153 PRO A O 1 ATOM 1192 C CB . PRO A 1 153 ? -7.821 95.349 -12.852 1.00 16.48 ? 153 PRO A CB 1 ATOM 1193 C CG . PRO A 1 153 ? -7.600 96.809 -13.186 1.00 17.00 ? 153 PRO A CG 1 ATOM 1194 C CD . PRO A 1 153 ? -6.156 97.008 -13.358 1.00 17.48 ? 153 PRO A CD 1 ATOM 1195 N N . THR A 1 154 ? -6.213 93.364 -14.792 1.00 15.90 ? 154 THR A N 1 ATOM 1196 C CA . THR A 1 154 ? -6.217 92.145 -15.566 1.00 16.20 ? 154 THR A CA 1 ATOM 1197 C C . THR A 1 154 ? -4.801 91.620 -15.714 1.00 16.43 ? 154 THR A C 1 ATOM 1198 O O . THR A 1 154 ? -4.545 90.819 -16.595 1.00 19.46 ? 154 THR A O 1 ATOM 1199 C CB . THR A 1 154 ? -6.779 92.373 -16.975 1.00 16.46 ? 154 THR A CB 1 ATOM 1200 O OG1 . THR A 1 154 ? -5.865 93.154 -17.755 1.00 14.28 ? 154 THR A OG1 1 ATOM 1201 C CG2 . THR A 1 154 ? -8.028 93.214 -16.948 1.00 18.30 ? 154 THR A CG2 1 ATOM 1202 N N . GLY A 1 155 ? -3.877 92.118 -14.913 1.00 16.63 ? 155 GLY A N 1 ATOM 1203 C CA . GLY A 1 155 ? -2.429 91.926 -15.098 1.00 15.95 ? 155 GLY A CA 1 ATOM 1204 C C . GLY A 1 155 ? -1.932 92.421 -16.442 1.00 16.38 ? 155 GLY A C 1 ATOM 1205 O O . GLY A 1 155 ? -0.976 91.877 -16.991 1.00 16.09 ? 155 GLY A O 1 ATOM 1206 N N . ALA A 1 156 ? -2.605 93.445 -16.978 1.00 16.42 ? 156 ALA A N 1 ATOM 1207 C CA . ALA A 1 156 ? -2.365 93.966 -18.338 1.00 16.46 ? 156 ALA A CA 1 ATOM 1208 C C . ALA A 1 156 ? -2.430 92.863 -19.387 1.00 16.18 ? 156 ALA A C 1 ATOM 1209 O O . ALA A 1 156 ? -1.576 92.753 -20.229 1.00 16.21 ? 156 ALA A O 1 ATOM 1210 C CB . ALA A 1 156 ? -1.098 94.651 -18.423 1.00 17.11 ? 156 ALA A CB 1 ATOM 1211 N N . LYS A 1 157 ? -3.505 92.095 -19.350 1.00 16.99 ? 157 LYS A N 1 ATOM 1212 C CA . LYS A 1 157 ? -3.776 91.076 -20.340 1.00 17.13 ? 157 LYS A CA 1 ATOM 1213 C C . LYS A 1 157 ? -3.808 91.734 -21.713 1.00 17.45 ? 157 LYS A C 1 ATOM 1214 O O . LYS A 1 157 ? -4.397 92.831 -21.890 1.00 18.36 ? 157 LYS A O 1 ATOM 1215 C CB . LYS A 1 157 ? -5.121 90.436 -20.058 1.00 16.86 ? 157 LYS A CB 1 ATOM 1216 C CG . LYS A 1 157 ? -5.288 89.125 -20.809 1.00 18.46 ? 157 LYS A CG 1 ATOM 1217 C CD . LYS A 1 157 ? -6.723 88.845 -21.058 1.00 20.59 ? 157 LYS A CD 1 ATOM 1218 C CE . LYS A 1 157 ? -6.913 88.064 -22.348 1.00 24.13 ? 157 LYS A CE 1 ATOM 1219 N NZ . LYS A 1 157 ? -7.793 86.903 -22.079 1.00 29.08 ? 157 LYS A NZ 1 ATOM 1220 N N . SER A 1 158 ? -3.170 91.108 -22.686 1.00 17.13 ? 158 SER A N 1 ATOM 1221 C CA . SER A 1 158 ? -3.112 91.683 -24.005 1.00 18.33 ? 158 SER A CA 1 ATOM 1222 C C . SER A 1 158 ? -2.659 90.581 -24.977 1.00 20.33 ? 158 SER A C 1 ATOM 1223 O O . SER A 1 158 ? -2.446 89.418 -24.566 1.00 20.69 ? 158 SER A O 1 ATOM 1224 C CB . SER A 1 158 ? -2.107 92.856 -24.025 1.00 18.34 ? 158 SER A CB 1 ATOM 1225 O OG . SER A 1 158 ? -0.758 92.382 -23.992 1.00 15.19 ? 158 SER A OG 1 ATOM 1226 N N . LYS A 1 159 ? -2.499 90.964 -26.255 1.00 21.30 ? 159 LYS A N 1 ATOM 1227 C CA . LYS A 1 159 ? -2.273 90.026 -27.353 1.00 20.91 ? 159 LYS A CA 1 ATOM 1228 C C . LYS A 1 159 ? -1.070 89.177 -27.065 1.00 20.68 ? 159 LYS A C 1 ATOM 1229 O O . LYS A 1 159 ? -1.111 87.959 -27.127 1.00 20.53 ? 159 LYS A O 1 ATOM 1230 C CB . LYS A 1 159 ? -2.036 90.807 -28.640 1.00 21.90 ? 159 LYS A CB 1 ATOM 1231 C CG . LYS A 1 159 ? -2.094 89.947 -29.892 1.00 23.11 ? 159 LYS A CG 1 ATOM 1232 C CD . LYS A 1 159 ? -1.573 90.670 -31.128 1.00 23.47 ? 159 LYS A CD 1 ATOM 1233 C CE . LYS A 1 159 ? -1.777 89.832 -32.386 1.00 28.38 ? 159 LYS A CE 1 ATOM 1234 N NZ . LYS A 1 159 ? -0.601 88.905 -32.727 1.00 32.41 ? 159 LYS A NZ 1 ATOM 1235 N N . TYR A 1 160 ? 0.021 89.843 -26.718 1.00 20.40 ? 160 TYR A N 1 ATOM 1236 C CA . TYR A 1 160 ? 1.268 89.170 -26.388 1.00 19.77 ? 160 TYR A CA 1 ATOM 1237 C C . TYR A 1 160 ? 1.343 88.706 -24.912 1.00 18.75 ? 160 TYR A C 1 ATOM 1238 O O . TYR A 1 160 ? 2.167 87.895 -24.551 1.00 17.46 ? 160 TYR A O 1 ATOM 1239 C CB . TYR A 1 160 ? 2.406 90.099 -26.836 1.00 22.88 ? 160 TYR A CB 1 ATOM 1240 C CG . TYR A 1 160 ? 2.362 90.335 -28.344 1.00 24.49 ? 160 TYR A CG 1 ATOM 1241 C CD1 . TYR A 1 160 ? 2.369 89.258 -29.223 1.00 27.02 ? 160 TYR A CD1 1 ATOM 1242 C CD2 . TYR A 1 160 ? 2.292 91.620 -28.890 1.00 30.38 ? 160 TYR A CD2 1 ATOM 1243 C CE1 . TYR A 1 160 ? 2.311 89.436 -30.613 1.00 27.12 ? 160 TYR A CE1 1 ATOM 1244 C CE2 . TYR A 1 160 ? 2.220 91.824 -30.289 1.00 26.46 ? 160 TYR A CE2 1 ATOM 1245 C CZ . TYR A 1 160 ? 2.234 90.722 -31.138 1.00 28.58 ? 160 TYR A CZ 1 ATOM 1246 O OH . TYR A 1 160 ? 2.164 90.866 -32.523 1.00 29.71 ? 160 TYR A OH 1 ATOM 1247 N N . ASN A 1 161 ? 0.441 89.199 -24.058 1.00 17.40 ? 161 ASN A N 1 ATOM 1248 C CA . ASN A 1 161 ? 0.295 88.680 -22.693 1.00 17.24 ? 161 ASN A CA 1 ATOM 1249 C C . ASN A 1 161 ? -1.127 88.123 -22.483 1.00 16.15 ? 161 ASN A C 1 ATOM 1250 O O . ASN A 1 161 ? -1.936 88.718 -21.754 1.00 14.99 ? 161 ASN A O 1 ATOM 1251 C CB . ASN A 1 161 ? 0.574 89.757 -21.657 1.00 17.36 ? 161 ASN A CB 1 ATOM 1252 C CG . ASN A 1 161 ? 0.285 89.301 -20.242 1.00 17.01 ? 161 ASN A CG 1 ATOM 1253 O OD1 . ASN A 1 161 ? -0.096 90.099 -19.364 1.00 22.88 ? 161 ASN A OD1 1 ATOM 1254 N ND2 . ASN A 1 161 ? 0.457 88.053 -20.009 1.00 8.40 ? 161 ASN A ND2 1 ATOM 1255 N N . PRO A 1 162 ? -1.452 87.001 -23.095 1.00 14.72 ? 162 PRO A N 1 ATOM 1256 C CA . PRO A 1 162 ? -2.818 86.404 -22.918 1.00 15.30 ? 162 PRO A CA 1 ATOM 1257 C C . PRO A 1 162 ? -3.089 85.814 -21.544 1.00 14.93 ? 162 PRO A C 1 ATOM 1258 O O . PRO A 1 162 ? -4.261 85.688 -21.144 1.00 15.86 ? 162 PRO A O 1 ATOM 1259 C CB . PRO A 1 162 ? -2.845 85.290 -23.955 1.00 15.88 ? 162 PRO A CB 1 ATOM 1260 C CG . PRO A 1 162 ? -1.431 84.879 -24.056 1.00 14.49 ? 162 PRO A CG 1 ATOM 1261 C CD . PRO A 1 162 ? -0.612 86.194 -23.971 1.00 16.62 ? 162 PRO A CD 1 ATOM 1262 N N . GLY A 1 163 ? -2.029 85.456 -20.804 1.00 14.36 ? 163 GLY A N 1 ATOM 1263 C CA . GLY A 1 163 ? -2.172 84.899 -19.443 1.00 15.03 ? 163 GLY A CA 1 ATOM 1264 C C . GLY A 1 163 ? -2.802 85.858 -18.432 1.00 15.37 ? 163 GLY A C 1 ATOM 1265 O O . GLY A 1 163 ? -3.777 85.516 -17.712 1.00 16.23 ? 163 GLY A O 1 ATOM 1266 N N . GLY A 1 164 ? -2.251 87.071 -18.339 1.00 14.22 ? 164 GLY A N 1 ATOM 1267 C CA . GLY A 1 164 ? -2.921 88.072 -17.550 1.00 13.63 ? 164 GLY A CA 1 ATOM 1268 C C . GLY A 1 164 ? -2.857 87.768 -16.067 1.00 13.09 ? 164 GLY A C 1 ATOM 1269 O O . GLY A 1 164 ? -1.972 87.066 -15.635 1.00 10.10 ? 164 GLY A O 1 ATOM 1270 N N . ALA A 1 165 ? -3.788 88.326 -15.290 1.00 12.34 ? 165 ALA A N 1 ATOM 1271 C CA . ALA A 1 165 ? -3.843 88.048 -13.842 1.00 12.88 ? 165 ALA A CA 1 ATOM 1272 C C . ALA A 1 165 ? -3.980 86.578 -13.481 1.00 13.86 ? 165 ALA A C 1 ATOM 1273 O O . ALA A 1 165 ? -3.497 86.152 -12.436 1.00 15.17 ? 165 ALA A O 1 ATOM 1274 C CB . ALA A 1 165 ? -4.913 88.790 -13.251 1.00 12.81 ? 165 ALA A CB 1 ATOM 1275 N N . TYR A 1 166 ? -4.614 85.782 -14.337 1.00 14.64 ? 166 TYR A N 1 ATOM 1276 C CA . TYR A 1 166 ? -4.794 84.338 -14.078 1.00 14.10 ? 166 TYR A CA 1 ATOM 1277 C C . TYR A 1 166 ? -3.446 83.664 -13.895 1.00 14.87 ? 166 TYR A C 1 ATOM 1278 O O . TYR A 1 166 ? -3.298 82.646 -13.211 1.00 14.62 ? 166 TYR A O 1 ATOM 1279 C CB . TYR A 1 166 ? -5.556 83.727 -15.256 1.00 14.85 ? 166 TYR A CB 1 ATOM 1280 C CG . TYR A 1 166 ? -6.000 82.265 -15.143 1.00 14.63 ? 166 TYR A CG 1 ATOM 1281 C CD1 . TYR A 1 166 ? -5.201 81.217 -15.599 1.00 17.75 ? 166 TYR A CD1 1 ATOM 1282 C CD2 . TYR A 1 166 ? -7.224 81.953 -14.639 1.00 17.66 ? 166 TYR A CD2 1 ATOM 1283 C CE1 . TYR A 1 166 ? -5.657 79.845 -15.514 1.00 17.73 ? 166 TYR A CE1 1 ATOM 1284 C CE2 . TYR A 1 166 ? -7.711 80.608 -14.578 1.00 16.03 ? 166 TYR A CE2 1 ATOM 1285 C CZ . TYR A 1 166 ? -6.921 79.579 -15.012 1.00 15.34 ? 166 TYR A CZ 1 ATOM 1286 O OH . TYR A 1 166 ? -7.421 78.290 -14.933 1.00 19.31 ? 166 TYR A OH 1 ATOM 1287 N N . TYR A 1 167 ? -2.424 84.257 -14.486 1.00 15.40 ? 167 TYR A N 1 ATOM 1288 C CA . TYR A 1 167 ? -1.078 83.739 -14.352 1.00 15.64 ? 167 TYR A CA 1 ATOM 1289 C C . TYR A 1 167 ? -0.184 84.670 -13.532 1.00 15.36 ? 167 TYR A C 1 ATOM 1290 O O . TYR A 1 167 ? 1.016 84.475 -13.521 1.00 13.83 ? 167 TYR A O 1 ATOM 1291 C CB . TYR A 1 167 ? -0.451 83.516 -15.725 1.00 17.27 ? 167 TYR A CB 1 ATOM 1292 C CG . TYR A 1 167 ? -0.914 82.274 -16.447 1.00 18.59 ? 167 TYR A CG 1 ATOM 1293 C CD1 . TYR A 1 167 ? -2.038 82.296 -17.262 1.00 19.48 ? 167 TYR A CD1 1 ATOM 1294 C CD2 . TYR A 1 167 ? -0.198 81.074 -16.338 1.00 22.03 ? 167 TYR A CD2 1 ATOM 1295 C CE1 . TYR A 1 167 ? -2.469 81.155 -17.918 1.00 20.74 ? 167 TYR A CE1 1 ATOM 1296 C CE2 . TYR A 1 167 ? -0.583 79.956 -17.019 1.00 19.97 ? 167 TYR A CE2 1 ATOM 1297 C CZ . TYR A 1 167 ? -1.741 79.995 -17.780 1.00 21.61 ? 167 TYR A CZ 1 ATOM 1298 O OH . TYR A 1 167 ? -2.158 78.880 -18.467 1.00 24.42 ? 167 TYR A OH 1 ATOM 1299 N N . GLY A 1 168 ? -0.759 85.633 -12.810 1.00 15.22 ? 168 GLY A N 1 ATOM 1300 C CA . GLY A 1 168 ? 0.054 86.512 -11.914 1.00 15.31 ? 168 GLY A CA 1 ATOM 1301 C C . GLY A 1 168 ? 0.936 87.541 -12.569 1.00 14.84 ? 168 GLY A C 1 ATOM 1302 O O . GLY A 1 168 ? 1.968 87.948 -11.981 1.00 14.95 ? 168 GLY A O 1 ATOM 1303 N N . THR A 1 169 ? 0.575 87.967 -13.796 1.00 15.25 ? 169 THR A N 1 ATOM 1304 C CA . THR A 1 169 ? 1.367 89.041 -14.484 1.00 16.22 ? 169 THR A CA 1 ATOM 1305 C C . THR A 1 169 ? 1.118 90.438 -13.969 1.00 16.37 ? 169 THR A C 1 ATOM 1306 O O . THR A 1 169 ? 0.079 90.707 -13.313 1.00 16.44 ? 169 THR A O 1 ATOM 1307 C CB . THR A 1 169 ? 1.128 89.085 -16.001 1.00 17.19 ? 169 THR A CB 1 ATOM 1308 O OG1 . THR A 1 169 ? -0.240 89.448 -16.304 1.00 14.43 ? 169 THR A OG1 1 ATOM 1309 C CG2 . THR A 1 169 ? 1.412 87.749 -16.619 1.00 13.39 ? 169 THR A CG2 1 ATOM 1310 N N . GLY A 1 170 ? 2.061 91.343 -14.256 1.00 16.91 ? 170 GLY A N 1 ATOM 1311 C CA . GLY A 1 170 ? 1.808 92.773 -13.964 1.00 17.06 ? 170 GLY A CA 1 ATOM 1312 C C . GLY A 1 170 ? 2.398 93.335 -12.661 1.00 17.82 ? 170 GLY A C 1 ATOM 1313 O O . GLY A 1 170 ? 2.087 94.484 -12.279 1.00 18.01 ? 170 GLY A O 1 ATOM 1314 N N . TYR A 1 171 ? 3.277 92.569 -12.002 1.00 16.34 ? 171 TYR A N 1 ATOM 1315 C CA . TYR A 1 171 ? 3.813 93.012 -10.754 1.00 16.62 ? 171 TYR A CA 1 ATOM 1316 C C . TYR A 1 171 ? 4.586 94.314 -10.884 1.00 16.92 ? 171 TYR A C 1 ATOM 1317 O O . TYR A 1 171 ? 5.397 94.500 -11.809 1.00 13.76 ? 171 TYR A O 1 ATOM 1318 C CB . TYR A 1 171 ? 4.741 91.969 -10.096 1.00 15.96 ? 171 TYR A CB 1 ATOM 1319 C CG . TYR A 1 171 ? 5.221 92.436 -8.726 1.00 15.62 ? 171 TYR A CG 1 ATOM 1320 C CD1 . TYR A 1 171 ? 4.363 92.514 -7.657 1.00 16.08 ? 171 TYR A CD1 1 ATOM 1321 C CD2 . TYR A 1 171 ? 6.544 92.831 -8.522 1.00 16.83 ? 171 TYR A CD2 1 ATOM 1322 C CE1 . TYR A 1 171 ? 4.820 92.955 -6.383 1.00 17.15 ? 171 TYR A CE1 1 ATOM 1323 C CE2 . TYR A 1 171 ? 7.001 93.225 -7.267 1.00 15.21 ? 171 TYR A CE2 1 ATOM 1324 C CZ . TYR A 1 171 ? 6.134 93.302 -6.222 1.00 15.55 ? 171 TYR A CZ 1 ATOM 1325 O OH . TYR A 1 171 ? 6.618 93.717 -5.009 1.00 16.25 ? 171 TYR A OH 1 ATOM 1326 N N . CYS A 1 172 ? 4.321 95.206 -9.915 1.00 18.32 ? 172 CYS A N 1 ATOM 1327 C CA . CYS A 1 172 ? 5.166 96.397 -9.705 1.00 17.86 ? 172 CYS A CA 1 ATOM 1328 C C . CYS A 1 172 ? 5.234 96.834 -8.248 1.00 18.34 ? 172 CYS A C 1 ATOM 1329 O O . CYS A 1 172 ? 4.387 96.483 -7.454 1.00 19.34 ? 172 CYS A O 1 ATOM 1330 C CB . CYS A 1 172 ? 4.645 97.521 -10.563 1.00 17.65 ? 172 CYS A CB 1 ATOM 1331 S SG . CYS A 1 172 ? 2.980 97.989 -10.158 1.00 18.26 ? 172 CYS A SG 1 ATOM 1332 N N . ASP A 1 173 ? 6.264 97.606 -7.890 1.00 19.33 ? 173 ASP A N 1 ATOM 1333 C CA . ASP A 1 173 ? 6.300 98.230 -6.572 1.00 18.64 ? 173 ASP A CA 1 ATOM 1334 C C . ASP A 1 173 ? 7.146 99.499 -6.593 1.00 19.18 ? 173 ASP A C 1 ATOM 1335 O O . ASP A 1 173 ? 7.634 99.894 -7.663 1.00 17.63 ? 173 ASP A O 1 ATOM 1336 C CB . ASP A 1 173 ? 6.733 97.206 -5.482 1.00 18.51 ? 173 ASP A CB 1 ATOM 1337 C CG . ASP A 1 173 ? 8.160 96.691 -5.630 1.00 21.38 ? 173 ASP A CG 1 ATOM 1338 O OD1 . ASP A 1 173 ? 9.023 97.302 -6.307 1.00 21.84 ? 173 ASP A OD1 1 ATOM 1339 O OD2 . ASP A 1 173 ? 8.500 95.619 -5.046 1.00 23.45 ? 173 ASP A OD2 1 ATOM 1340 N N . ALA A 1 174 ? 7.301 100.147 -5.424 1.00 19.16 ? 174 ALA A N 1 ATOM 1341 C CA . ALA A 1 174 ? 8.092 101.413 -5.302 1.00 19.29 ? 174 ALA A CA 1 ATOM 1342 C C . ALA A 1 174 ? 9.589 101.283 -5.482 1.00 20.06 ? 174 ALA A C 1 ATOM 1343 O O . ALA A 1 174 ? 10.274 102.294 -5.459 1.00 20.29 ? 174 ALA A O 1 ATOM 1344 C CB . ALA A 1 174 ? 7.829 102.060 -3.996 1.00 20.19 ? 174 ALA A CB 1 ATOM 1345 N N . GLN A 1 175 ? 10.104 100.052 -5.636 1.00 18.84 ? 175 GLN A N 1 ATOM 1346 C CA . GLN A 1 175 ? 11.520 99.823 -5.795 1.00 19.19 ? 175 GLN A CA 1 ATOM 1347 C C . GLN A 1 175 ? 11.999 99.900 -7.252 1.00 18.83 ? 175 GLN A C 1 ATOM 1348 O O . GLN A 1 175 ? 13.165 99.882 -7.509 1.00 17.44 ? 175 GLN A O 1 ATOM 1349 C CB . GLN A 1 175 ? 11.932 98.459 -5.135 1.00 18.94 ? 175 GLN A CB 1 ATOM 1350 C CG . GLN A 1 175 ? 11.555 98.330 -3.606 1.00 21.32 ? 175 GLN A CG 1 ATOM 1351 C CD . GLN A 1 175 ? 12.060 99.539 -2.770 1.00 22.22 ? 175 GLN A CD 1 ATOM 1352 O OE1 . GLN A 1 175 ? 13.209 99.961 -2.955 1.00 19.84 ? 175 GLN A OE1 1 ATOM 1353 N NE2 . GLN A 1 175 ? 11.217 100.077 -1.876 1.00 18.23 ? 175 GLN A NE2 1 ATOM 1354 N N . CYS A 1 176 ? 11.077 99.958 -8.210 1.00 20.03 ? 176 CYS A N 1 ATOM 1355 C CA . CYS A 1 176 ? 11.437 100.058 -9.622 1.00 19.32 ? 176 CYS A CA 1 ATOM 1356 C C . CYS A 1 176 ? 12.437 98.989 -10.119 1.00 18.69 ? 176 CYS A C 1 ATOM 1357 O O . CYS A 1 176 ? 13.340 99.267 -10.923 1.00 15.54 ? 176 CYS A O 1 ATOM 1358 C CB . CYS A 1 176 ? 11.963 101.473 -9.902 1.00 20.66 ? 176 CYS A CB 1 ATOM 1359 S SG . CYS A 1 176 ? 10.700 102.779 -9.753 1.00 22.30 ? 176 CYS A SG 1 ATOM 1360 N N . PHE A 1 177 ? 12.266 97.752 -9.657 1.00 18.72 ? 177 PHE A N 1 ATOM 1361 C CA . PHE A 1 177 ? 13.183 96.692 -10.064 1.00 18.89 ? 177 PHE A CA 1 ATOM 1362 C C . PHE A 1 177 ? 12.986 96.353 -11.548 1.00 18.93 ? 177 PHE A C 1 ATOM 1363 O O . PHE A 1 177 ? 11.886 96.538 -12.127 1.00 18.25 ? 177 PHE A O 1 ATOM 1364 C CB . PHE A 1 177 ? 12.962 95.454 -9.219 1.00 19.91 ? 177 PHE A CB 1 ATOM 1365 C CG . PHE A 1 177 ? 13.327 95.605 -7.763 1.00 20.08 ? 177 PHE A CG 1 ATOM 1366 C CD1 . PHE A 1 177 ? 14.542 96.186 -7.368 1.00 23.35 ? 177 PHE A CD1 1 ATOM 1367 C CD2 . PHE A 1 177 ? 12.493 95.110 -6.794 1.00 17.40 ? 177 PHE A CD2 1 ATOM 1368 C CE1 . PHE A 1 177 ? 14.864 96.290 -6.002 1.00 21.85 ? 177 PHE A CE1 1 ATOM 1369 C CE2 . PHE A 1 177 ? 12.816 95.192 -5.450 1.00 18.59 ? 177 PHE A CE2 1 ATOM 1370 C CZ . PHE A 1 177 ? 14.008 95.774 -5.058 1.00 20.77 ? 177 PHE A CZ 1 ATOM 1371 N N . VAL A 1 178 ? 14.059 95.886 -12.160 1.00 18.93 ? 178 VAL A N 1 ATOM 1372 C CA . VAL A 1 178 ? 14.062 95.402 -13.535 1.00 19.21 ? 178 VAL A CA 1 ATOM 1373 C C . VAL A 1 178 ? 13.767 93.904 -13.497 1.00 20.63 ? 178 VAL A C 1 ATOM 1374 O O . VAL A 1 178 ? 14.454 93.130 -12.775 1.00 20.08 ? 178 VAL A O 1 ATOM 1375 C CB . VAL A 1 178 ? 15.429 95.613 -14.171 1.00 19.03 ? 178 VAL A CB 1 ATOM 1376 C CG1 . VAL A 1 178 ? 15.434 95.135 -15.585 1.00 20.63 ? 178 VAL A CG1 1 ATOM 1377 C CG2 . VAL A 1 178 ? 15.882 97.119 -14.057 1.00 19.38 ? 178 VAL A CG2 1 ATOM 1378 N N . THR A 1 179 ? 12.705 93.511 -14.209 1.00 20.45 ? 179 THR A N 1 ATOM 1379 C CA . THR A 1 179 ? 12.369 92.113 -14.393 1.00 19.70 ? 179 THR A CA 1 ATOM 1380 C C . THR A 1 179 ? 12.380 91.811 -15.897 1.00 19.75 ? 179 THR A C 1 ATOM 1381 O O . THR A 1 179 ? 12.147 92.715 -16.726 1.00 21.70 ? 179 THR A O 1 ATOM 1382 C CB . THR A 1 179 ? 11.017 91.744 -13.720 1.00 20.05 ? 179 THR A CB 1 ATOM 1383 O OG1 . THR A 1 179 ? 9.984 92.701 -14.028 1.00 21.53 ? 179 THR A OG1 1 ATOM 1384 C CG2 . THR A 1 179 ? 11.121 91.814 -12.238 1.00 19.19 ? 179 THR A CG2 1 ATOM 1385 N N . PRO A 1 180 ? 12.717 90.583 -16.270 1.00 17.87 ? 180 PRO A N 1 ATOM 1386 C CA . PRO A 1 180 ? 12.725 90.216 -17.657 1.00 17.60 ? 180 PRO A CA 1 ATOM 1387 C C . PRO A 1 180 ? 11.343 90.350 -18.372 1.00 16.61 ? 180 PRO A C 1 ATOM 1388 O O . PRO A 1 180 ? 11.293 90.444 -19.590 1.00 15.44 ? 180 PRO A O 1 ATOM 1389 C CB . PRO A 1 180 ? 13.272 88.767 -17.647 1.00 18.28 ? 180 PRO A CB 1 ATOM 1390 C CG . PRO A 1 180 ? 13.148 88.308 -16.260 1.00 18.26 ? 180 PRO A CG 1 ATOM 1391 C CD . PRO A 1 180 ? 13.182 89.495 -15.398 1.00 18.08 ? 180 PRO A CD 1 ATOM 1392 N N . PHE A 1 181 ? 10.248 90.338 -17.626 1.00 16.37 ? 181 PHE A N 1 ATOM 1393 C CA . PHE A 1 181 ? 8.934 90.555 -18.196 1.00 16.00 ? 181 PHE A CA 1 ATOM 1394 C C . PHE A 1 181 ? 8.235 91.613 -17.383 1.00 15.58 ? 181 PHE A C 1 ATOM 1395 O O . PHE A 1 181 ? 8.355 91.637 -16.175 1.00 14.90 ? 181 PHE A O 1 ATOM 1396 C CB . PHE A 1 181 ? 8.089 89.276 -18.218 1.00 16.18 ? 181 PHE A CB 1 ATOM 1397 C CG . PHE A 1 181 ? 8.543 88.281 -19.223 1.00 17.22 ? 181 PHE A CG 1 ATOM 1398 C CD1 . PHE A 1 181 ? 9.609 87.456 -18.957 1.00 20.07 ? 181 PHE A CD1 1 ATOM 1399 C CD2 . PHE A 1 181 ? 7.967 88.227 -20.463 1.00 19.08 ? 181 PHE A CD2 1 ATOM 1400 C CE1 . PHE A 1 181 ? 10.054 86.519 -19.899 1.00 16.66 ? 181 PHE A CE1 1 ATOM 1401 C CE2 . PHE A 1 181 ? 8.417 87.314 -21.425 1.00 16.90 ? 181 PHE A CE2 1 ATOM 1402 C CZ . PHE A 1 181 ? 9.462 86.473 -21.140 1.00 17.89 ? 181 PHE A CZ 1 ATOM 1403 N N . ILE A 1 182 ? 7.510 92.485 -18.057 1.00 15.12 ? 182 ILE A N 1 ATOM 1404 C CA . ILE A 1 182 ? 6.737 93.480 -17.363 1.00 16.31 ? 182 ILE A CA 1 ATOM 1405 C C . ILE A 1 182 ? 5.456 93.535 -18.095 1.00 15.20 ? 182 ILE A C 1 ATOM 1406 O O . ILE A 1 182 ? 5.442 93.624 -19.337 1.00 14.87 ? 182 ILE A O 1 ATOM 1407 C CB . ILE A 1 182 ? 7.440 94.873 -17.383 1.00 16.38 ? 182 ILE A CB 1 ATOM 1408 C CG1 . ILE A 1 182 ? 8.736 94.859 -16.566 1.00 16.04 ? 182 ILE A CG1 1 ATOM 1409 C CG2 . ILE A 1 182 ? 6.549 95.946 -16.830 1.00 16.90 ? 182 ILE A CG2 1 ATOM 1410 C CD1 . ILE A 1 182 ? 9.459 96.239 -16.532 1.00 18.49 ? 182 ILE A CD1 1 ATOM 1411 N N . ASN A 1 183 ? 4.387 93.472 -17.304 1.00 16.32 ? 183 ASN A N 1 ATOM 1412 C CA . ASN A 1 183 ? 3.026 93.337 -17.798 1.00 16.65 ? 183 ASN A CA 1 ATOM 1413 C C . ASN A 1 183 ? 2.927 92.188 -18.773 1.00 16.77 ? 183 ASN A C 1 ATOM 1414 O O . ASN A 1 183 ? 2.211 92.280 -19.789 1.00 16.57 ? 183 ASN A O 1 ATOM 1415 C CB . ASN A 1 183 ? 2.588 94.635 -18.462 1.00 16.46 ? 183 ASN A CB 1 ATOM 1416 C CG . ASN A 1 183 ? 2.227 95.674 -17.468 1.00 17.16 ? 183 ASN A CG 1 ATOM 1417 O OD1 . ASN A 1 183 ? 1.700 95.345 -16.392 1.00 20.36 ? 183 ASN A OD1 1 ATOM 1418 N ND2 . ASN A 1 183 ? 2.468 96.962 -17.824 1.00 12.54 ? 183 ASN A ND2 1 ATOM 1419 N N . GLY A 1 184 ? 3.674 91.116 -18.491 1.00 16.59 ? 184 GLY A N 1 ATOM 1420 C CA . GLY A 1 184 ? 3.561 89.934 -19.314 1.00 17.22 ? 184 GLY A CA 1 ATOM 1421 C C . GLY A 1 184 ? 4.270 90.027 -20.649 1.00 18.27 ? 184 GLY A C 1 ATOM 1422 O O . GLY A 1 184 ? 4.106 89.110 -21.496 1.00 17.86 ? 184 GLY A O 1 ATOM 1423 N N . LEU A 1 185 ? 5.071 91.102 -20.825 1.00 17.13 ? 185 LEU A N 1 ATOM 1424 C CA . LEU A 1 185 ? 5.759 91.385 -22.065 1.00 17.73 ? 185 LEU A CA 1 ATOM 1425 C C . LEU A 1 185 ? 7.268 91.421 -21.810 1.00 17.50 ? 185 LEU A C 1 ATOM 1426 O O . LEU A 1 185 ? 7.716 91.862 -20.764 1.00 16.82 ? 185 LEU A O 1 ATOM 1427 C CB . LEU A 1 185 ? 5.347 92.751 -22.669 1.00 17.98 ? 185 LEU A CB 1 ATOM 1428 C CG . LEU A 1 185 ? 3.860 93.046 -22.954 1.00 20.28 ? 185 LEU A CG 1 ATOM 1429 C CD1 . LEU A 1 185 ? 3.742 94.413 -23.624 1.00 22.84 ? 185 LEU A CD1 1 ATOM 1430 C CD2 . LEU A 1 185 ? 3.268 91.986 -23.847 1.00 20.00 ? 185 LEU A CD2 1 ATOM 1431 N N . GLY A 1 186 ? 8.034 90.950 -22.791 1.00 17.96 ? 186 GLY A N 1 ATOM 1432 C CA . GLY A 1 186 ? 9.472 90.896 -22.703 1.00 18.17 ? 186 GLY A CA 1 ATOM 1433 C C . GLY A 1 186 ? 9.919 92.318 -22.462 1.00 18.15 ? 186 GLY A C 1 ATOM 1434 O O . GLY A 1 186 ? 9.445 93.211 -23.149 1.00 17.51 ? 186 GLY A O 1 ATOM 1435 N N . ASN A 1 187 ? 10.827 92.498 -21.502 1.00 18.34 ? 187 ASN A N 1 ATOM 1436 C CA . ASN A 1 187 ? 11.337 93.806 -21.120 1.00 19.48 ? 187 ASN A CA 1 ATOM 1437 C C . ASN A 1 187 ? 12.616 94.069 -21.870 1.00 19.51 ? 187 ASN A C 1 ATOM 1438 O O . ASN A 1 187 ? 13.702 94.059 -21.296 1.00 21.12 ? 187 ASN A O 1 ATOM 1439 C CB . ASN A 1 187 ? 11.549 93.833 -19.613 1.00 18.65 ? 187 ASN A CB 1 ATOM 1440 C CG . ASN A 1 187 ? 11.946 95.186 -19.105 1.00 19.55 ? 187 ASN A CG 1 ATOM 1441 O OD1 . ASN A 1 187 ? 11.682 96.225 -19.751 1.00 17.27 ? 187 ASN A OD1 1 ATOM 1442 N ND2 . ASN A 1 187 ? 12.563 95.200 -17.902 1.00 19.85 ? 187 ASN A ND2 1 ATOM 1443 N N . ILE A 1 188 ? 12.487 94.283 -23.169 1.00 20.60 ? 188 ILE A N 1 ATOM 1444 C CA . ILE A 1 188 ? 13.620 94.322 -24.091 1.00 21.30 ? 188 ILE A CA 1 ATOM 1445 C C . ILE A 1 188 ? 14.615 95.443 -23.720 1.00 22.45 ? 188 ILE A C 1 ATOM 1446 O O . ILE A 1 188 ? 15.859 95.290 -23.833 1.00 20.18 ? 188 ILE A O 1 ATOM 1447 C CB . ILE A 1 188 ? 13.099 94.525 -25.554 1.00 21.92 ? 188 ILE A CB 1 ATOM 1448 C CG1 . ILE A 1 188 ? 11.931 93.589 -25.900 1.00 22.79 ? 188 ILE A CG1 1 ATOM 1449 C CG2 . ILE A 1 188 ? 14.191 94.346 -26.576 1.00 22.34 ? 188 ILE A CG2 1 ATOM 1450 C CD1 . ILE A 1 188 ? 12.160 92.137 -25.569 1.00 22.53 ? 188 ILE A CD1 1 ATOM 1451 N N . GLU A 1 189 ? 14.044 96.561 -23.268 1.00 23.22 ? 189 GLU A N 1 ATOM 1452 C CA . GLU A 1 189 ? 14.808 97.736 -22.974 1.00 24.35 ? 189 GLU A CA 1 ATOM 1453 C C . GLU A 1 189 ? 15.300 97.755 -21.534 1.00 24.61 ? 189 GLU A C 1 ATOM 1454 O O . GLU A 1 189 ? 16.084 98.615 -21.168 1.00 25.49 ? 189 GLU A O 1 ATOM 1455 C CB . GLU A 1 189 ? 13.976 98.990 -23.257 1.00 26.56 ? 189 GLU A CB 1 ATOM 1456 C CG . GLU A 1 189 ? 13.576 99.173 -24.734 1.00 33.52 ? 189 GLU A CG 1 ATOM 1457 C CD . GLU A 1 189 ? 14.775 99.067 -25.699 1.00 41.88 ? 189 GLU A CD 1 ATOM 1458 O OE1 . GLU A 1 189 ? 15.864 99.614 -25.360 1.00 48.16 ? 189 GLU A OE1 1 ATOM 1459 O OE2 . GLU A 1 189 ? 14.652 98.420 -26.800 1.00 49.75 ? 189 GLU A OE2 1 ATOM 1460 N N . GLY A 1 190 ? 14.867 96.820 -20.702 1.00 23.87 ? 190 GLY A N 1 ATOM 1461 C CA . GLY A 1 190 ? 15.431 96.714 -19.369 1.00 22.65 ? 190 GLY A CA 1 ATOM 1462 C C . GLY A 1 190 ? 15.001 97.813 -18.417 1.00 21.41 ? 190 GLY A C 1 ATOM 1463 O O . GLY A 1 190 ? 15.753 98.227 -17.519 1.00 20.04 ? 190 GLY A O 1 ATOM 1464 N N . LYS A 1 191 ? 13.766 98.242 -18.596 1.00 21.26 ? 191 LYS A N 1 ATOM 1465 C CA . LYS A 1 191 ? 13.131 99.209 -17.716 1.00 21.26 ? 191 LYS A CA 1 ATOM 1466 C C . LYS A 1 191 ? 12.869 98.614 -16.354 1.00 20.93 ? 191 LYS A C 1 ATOM 1467 O O . LYS A 1 191 ? 12.964 97.376 -16.139 1.00 21.79 ? 191 LYS A O 1 ATOM 1468 C CB . LYS A 1 191 ? 11.810 99.667 -18.291 1.00 21.51 ? 191 LYS A CB 1 ATOM 1469 C CG . LYS A 1 191 ? 11.860 100.033 -19.786 1.00 25.19 ? 191 LYS A CG 1 ATOM 1470 C CD . LYS A 1 191 ? 11.759 101.492 -20.029 1.00 26.91 ? 191 LYS A CD 1 ATOM 1471 C CE . LYS A 1 191 ? 12.127 101.836 -21.448 1.00 27.23 ? 191 LYS A CE 1 ATOM 1472 N NZ . LYS A 1 191 ? 11.045 102.636 -22.031 1.00 32.56 ? 191 LYS A NZ 1 ATOM 1473 N N . GLY A 1 192 ? 12.538 99.501 -15.431 1.00 19.81 ? 192 GLY A N 1 ATOM 1474 C CA . GLY A 1 192 ? 12.156 99.127 -14.077 1.00 19.84 ? 192 GLY A CA 1 ATOM 1475 C C . GLY A 1 192 ? 10.659 99.185 -13.956 1.00 19.33 ? 192 GLY A C 1 ATOM 1476 O O . GLY A 1 192 ? 10.010 99.932 -14.663 1.00 19.30 ? 192 GLY A O 1 ATOM 1477 N N . SER A 1 193 ? 10.110 98.367 -13.062 1.00 19.52 ? 193 SER A N 1 ATOM 1478 C CA . SER A 1 193 ? 8.665 98.251 -12.868 1.00 19.06 ? 193 SER A CA 1 ATOM 1479 C C . SER A 1 193 ? 8.241 98.969 -11.617 1.00 19.01 ? 193 SER A C 1 ATOM 1480 O O . SER A 1 193 ? 8.401 98.427 -10.527 1.00 18.99 ? 193 SER A O 1 ATOM 1481 C CB . SER A 1 193 ? 8.251 96.765 -12.749 1.00 19.71 ? 193 SER A CB 1 ATOM 1482 O OG . SER A 1 193 ? 6.834 96.642 -12.739 1.00 19.16 ? 193 SER A OG 1 ATOM 1483 N N . CYS A 1 194 ? 7.665 100.167 -11.796 1.00 19.28 ? 194 CYS A N 1 ATOM 1484 C CA . CYS A 1 194 ? 7.406 101.164 -10.751 1.00 19.89 ? 194 CYS A CA 1 ATOM 1485 C C . CYS A 1 194 ? 5.926 101.389 -10.491 1.00 18.03 ? 194 CYS A C 1 ATOM 1486 O O . CYS A 1 194 ? 5.181 101.580 -11.423 1.00 18.38 ? 194 CYS A O 1 ATOM 1487 C CB . CYS A 1 194 ? 7.900 102.541 -11.227 1.00 20.27 ? 194 CYS A CB 1 ATOM 1488 S SG . CYS A 1 194 ? 9.672 102.666 -11.535 1.00 26.17 ? 194 CYS A SG 1 ATOM 1489 N N . CYS A 1 195 ? 5.521 101.423 -9.235 1.00 17.97 ? 195 CYS A N 1 ATOM 1490 C CA . CYS A 1 195 ? 4.220 101.913 -8.855 1.00 18.75 ? 195 CYS A CA 1 ATOM 1491 C C . CYS A 1 195 ? 4.151 102.189 -7.393 1.00 19.10 ? 195 CYS A C 1 ATOM 1492 O O . CYS A 1 195 ? 5.031 101.792 -6.617 1.00 19.35 ? 195 CYS A O 1 ATOM 1493 C CB . CYS A 1 195 ? 3.087 100.968 -9.248 1.00 19.77 ? 195 CYS A CB 1 ATOM 1494 S SG . CYS A 1 195 ? 3.108 99.313 -8.538 1.00 20.66 ? 195 CYS A SG 1 ATOM 1495 N N . ASN A 1 196 ? 3.127 102.960 -7.055 1.00 19.08 ? 196 ASN A N 1 ATOM 1496 C CA . ASN A 1 196 ? 2.774 103.287 -5.702 1.00 18.51 ? 196 ASN A CA 1 ATOM 1497 C C . ASN A 1 196 ? 2.533 101.976 -5.012 1.00 18.51 ? 196 ASN A C 1 ATOM 1498 O O . ASN A 1 196 ? 1.827 101.124 -5.566 1.00 17.16 ? 196 ASN A O 1 ATOM 1499 C CB . ASN A 1 196 ? 1.498 104.124 -5.687 1.00 18.03 ? 196 ASN A CB 1 ATOM 1500 C CG . ASN A 1 196 ? 1.764 105.621 -6.009 1.00 21.39 ? 196 ASN A CG 1 ATOM 1501 O OD1 . ASN A 1 196 ? 2.075 106.408 -5.118 1.00 17.38 ? 196 ASN A OD1 1 ATOM 1502 N ND2 . ASN A 1 196 ? 1.649 105.995 -7.287 1.00 19.15 ? 196 ASN A ND2 1 ATOM 1503 N N . SER A 1 197 ? 3.070 101.846 -3.797 1.00 18.59 ? 197 SER A N 1 ATOM 1504 C CA . SER A 1 197 ? 2.747 100.722 -2.924 1.00 19.57 ? 197 SER A CA 1 ATOM 1505 C C . SER A 1 197 ? 2.590 101.119 -1.467 1.00 19.07 ? 197 SER A C 1 ATOM 1506 O O . SER A 1 197 ? 3.284 101.971 -0.967 1.00 18.17 ? 197 SER A O 1 ATOM 1507 C CB . SER A 1 197 ? 3.760 99.550 -3.029 1.00 19.06 ? 197 SER A CB 1 ATOM 1508 O OG . SER A 1 197 ? 5.036 99.969 -3.421 1.00 24.95 ? 197 SER A OG 1 ATOM 1509 N N . MET A 1 198 ? 1.647 100.475 -0.813 1.00 18.11 ? 198 MET A N 1 ATOM 1510 C CA . MET A 1 198 ? 1.371 100.715 0.556 1.00 18.79 ? 198 MET A CA 1 ATOM 1511 C C . MET A 1 198 ? 1.748 99.436 1.228 1.00 19.55 ? 198 MET A C 1 ATOM 1512 O O . MET A 1 198 ? 1.088 98.406 1.044 1.00 20.12 ? 198 MET A O 1 ATOM 1513 C CB . MET A 1 198 ? -0.109 101.003 0.727 1.00 18.00 ? 198 MET A CB 1 ATOM 1514 C CG . MET A 1 198 ? -0.612 101.045 2.140 1.00 18.96 ? 198 MET A CG 1 ATOM 1515 S SD . MET A 1 198 ? 0.184 102.328 3.082 1.00 22.65 ? 198 MET A SD 1 ATOM 1516 C CE . MET A 1 198 ? 0.152 101.706 4.767 1.00 18.53 ? 198 MET A CE 1 ATOM 1517 N N . ASP A 1 199 ? 2.845 99.491 1.955 1.00 20.53 ? 199 ASP A N 1 ATOM 1518 C CA . ASP A 1 199 ? 3.286 98.361 2.767 1.00 21.63 ? 199 ASP A CA 1 ATOM 1519 C C . ASP A 1 199 ? 2.530 98.312 4.087 1.00 20.80 ? 199 ASP A C 1 ATOM 1520 O O . ASP A 1 199 ? 2.935 98.881 5.096 1.00 18.99 ? 199 ASP A O 1 ATOM 1521 C CB . ASP A 1 199 ? 4.792 98.448 3.026 1.00 22.77 ? 199 ASP A CB 1 ATOM 1522 C CG . ASP A 1 199 ? 5.622 98.286 1.773 1.00 25.89 ? 199 ASP A CG 1 ATOM 1523 O OD1 . ASP A 1 199 ? 6.850 98.268 1.891 1.00 33.16 ? 199 ASP A OD1 1 ATOM 1524 O OD2 . ASP A 1 199 ? 5.194 98.195 0.614 1.00 36.15 ? 199 ASP A OD2 1 ATOM 1525 N N . ILE A 1 200 ? 1.411 97.619 4.072 1.00 21.06 ? 200 ILE A N 1 ATOM 1526 C CA . ILE A 1 200 ? 0.567 97.555 5.233 1.00 21.67 ? 200 ILE A CA 1 ATOM 1527 C C . ILE A 1 200 ? 1.325 96.858 6.360 1.00 22.04 ? 200 ILE A C 1 ATOM 1528 O O . ILE A 1 200 ? 1.269 97.316 7.516 1.00 20.48 ? 200 ILE A O 1 ATOM 1529 C CB . ILE A 1 200 ? -0.705 96.799 4.889 1.00 21.87 ? 200 ILE A CB 1 ATOM 1530 C CG1 . ILE A 1 200 ? -1.610 97.670 4.016 1.00 24.37 ? 200 ILE A CG1 1 ATOM 1531 C CG2 . ILE A 1 200 ? -1.415 96.356 6.141 1.00 23.35 ? 200 ILE A CG2 1 ATOM 1532 C CD1 . ILE A 1 200 ? -2.735 96.869 3.317 1.00 22.80 ? 200 ILE A CD1 1 ATOM 1533 N N . TRP A 1 201 ? 2.038 95.771 5.997 1.00 21.55 ? 201 TRP A N 1 ATOM 1534 C CA . TRP A 1 201 ? 2.643 94.849 6.976 1.00 21.37 ? 201 TRP A CA 1 ATOM 1535 C C . TRP A 1 201 ? 3.912 94.318 6.363 1.00 21.68 ? 201 TRP A C 1 ATOM 1536 O O . TRP A 1 201 ? 3.864 93.729 5.312 1.00 21.03 ? 201 TRP A O 1 ATOM 1537 C CB . TRP A 1 201 ? 1.647 93.745 7.326 1.00 21.09 ? 201 TRP A CB 1 ATOM 1538 C CG . TRP A 1 201 ? 2.198 92.463 8.005 1.00 21.43 ? 201 TRP A CG 1 ATOM 1539 C CD1 . TRP A 1 201 ? 2.669 91.336 7.367 1.00 21.68 ? 201 TRP A CD1 1 ATOM 1540 C CD2 . TRP A 1 201 ? 2.307 92.193 9.398 1.00 19.02 ? 201 TRP A CD2 1 ATOM 1541 N NE1 . TRP A 1 201 ? 3.058 90.387 8.279 1.00 19.70 ? 201 TRP A NE1 1 ATOM 1542 C CE2 . TRP A 1 201 ? 2.852 90.877 9.536 1.00 20.23 ? 201 TRP A CE2 1 ATOM 1543 C CE3 . TRP A 1 201 ? 1.990 92.913 10.563 1.00 19.97 ? 201 TRP A CE3 1 ATOM 1544 C CZ2 . TRP A 1 201 ? 3.122 90.298 10.784 1.00 18.51 ? 201 TRP A CZ2 1 ATOM 1545 C CZ3 . TRP A 1 201 ? 2.237 92.323 11.817 1.00 20.19 ? 201 TRP A CZ3 1 ATOM 1546 C CH2 . TRP A 1 201 ? 2.790 91.022 11.909 1.00 20.67 ? 201 TRP A CH2 1 ATOM 1547 N N . GLU A 1 202 ? 5.040 94.687 6.965 1.00 21.40 ? 202 GLU A N 1 ATOM 1548 C CA . GLU A 1 202 ? 6.321 94.033 6.815 1.00 22.32 ? 202 GLU A CA 1 ATOM 1549 C C . GLU A 1 202 ? 6.830 93.729 8.225 1.00 22.50 ? 202 GLU A C 1 ATOM 1550 O O . GLU A 1 202 ? 7.184 94.652 8.989 1.00 22.92 ? 202 GLU A O 1 ATOM 1551 C CB . GLU A 1 202 ? 7.279 94.928 6.055 1.00 22.40 ? 202 GLU A CB 1 ATOM 1552 C CG . GLU A 1 202 ? 6.766 95.278 4.657 1.00 24.25 ? 202 GLU A CG 1 ATOM 1553 C CD . GLU A 1 202 ? 7.819 95.955 3.779 1.00 25.99 ? 202 GLU A CD 1 ATOM 1554 O OE1 . GLU A 1 202 ? 8.684 95.256 3.149 1.00 33.18 ? 202 GLU A OE1 1 ATOM 1555 O OE2 . GLU A 1 202 ? 7.811 97.203 3.753 1.00 30.61 ? 202 GLU A OE2 1 ATOM 1556 N N . ALA A 1 203 ? 6.875 92.445 8.578 1.00 20.77 ? 203 ALA A N 1 ATOM 1557 C CA . ALA A 1 203 ? 7.058 92.063 9.967 1.00 20.29 ? 203 ALA A CA 1 ATOM 1558 C C . ALA A 1 203 ? 7.546 90.643 10.173 1.00 20.22 ? 203 ALA A C 1 ATOM 1559 O O . ALA A 1 203 ? 7.379 89.765 9.311 1.00 18.20 ? 203 ALA A O 1 ATOM 1560 C CB . ALA A 1 203 ? 5.765 92.232 10.710 1.00 19.27 ? 203 ALA A CB 1 ATOM 1561 N N . ASN A 1 204 ? 8.168 90.456 11.333 1.00 20.97 ? 204 ASN A N 1 ATOM 1562 C CA . ASN A 1 204 ? 8.535 89.123 11.851 1.00 20.87 ? 204 ASN A CA 1 ATOM 1563 C C . ASN A 1 204 ? 8.208 89.119 13.338 1.00 21.11 ? 204 ASN A C 1 ATOM 1564 O O . ASN A 1 204 ? 7.477 90.008 13.825 1.00 21.35 ? 204 ASN A O 1 ATOM 1565 C CB . ASN A 1 204 ? 9.999 88.812 11.553 1.00 20.65 ? 204 ASN A CB 1 ATOM 1566 C CG . ASN A 1 204 ? 10.962 89.851 12.092 1.00 21.59 ? 204 ASN A CG 1 ATOM 1567 O OD1 . ASN A 1 204 ? 10.778 90.421 13.175 1.00 21.68 ? 204 ASN A OD1 1 ATOM 1568 N ND2 . ASN A 1 204 ? 11.992 90.112 11.326 1.00 20.58 ? 204 ASN A ND2 1 ATOM 1569 N N . SER A 1 205 ? 8.700 88.139 14.081 1.00 20.22 ? 205 SER A N 1 ATOM 1570 C CA . SER A 1 205 ? 8.317 88.021 15.484 1.00 19.56 ? 205 SER A CA 1 ATOM 1571 C C . SER A 1 205 ? 9.034 89.047 16.337 1.00 18.95 ? 205 SER A C 1 ATOM 1572 O O . SER A 1 205 ? 8.747 89.164 17.502 1.00 20.02 ? 205 SER A O 1 ATOM 1573 C CB . SER A 1 205 ? 8.576 86.602 15.989 1.00 19.37 ? 205 SER A CB 1 ATOM 1574 O OG . SER A 1 205 ? 9.961 86.326 16.016 1.00 17.26 ? 205 SER A OG 1 ATOM 1575 N N . ARG A 1 206 ? 10.006 89.740 15.769 1.00 19.76 ? 206 ARG A N 1 ATOM 1576 C CA . ARG A 1 206 ? 10.865 90.691 16.493 1.00 20.28 ? 206 ARG A CA 1 ATOM 1577 C C . ARG A 1 206 ? 10.533 92.180 16.230 1.00 20.83 ? 206 ARG A C 1 ATOM 1578 O O . ARG A 1 206 ? 10.701 93.003 17.113 1.00 20.07 ? 206 ARG A O 1 ATOM 1579 C CB . ARG A 1 206 ? 12.324 90.428 16.136 1.00 20.17 ? 206 ARG A CB 1 ATOM 1580 C CG . ARG A 1 206 ? 12.717 88.946 16.208 1.00 19.93 ? 206 ARG A CG 1 ATOM 1581 C CD . ARG A 1 206 ? 12.349 88.248 17.496 1.00 23.40 ? 206 ARG A CD 1 ATOM 1582 N NE . ARG A 1 206 ? 12.955 88.875 18.668 1.00 26.57 ? 206 ARG A NE 1 ATOM 1583 C CZ . ARG A 1 206 ? 14.239 88.777 19.043 1.00 27.02 ? 206 ARG A CZ 1 ATOM 1584 N NH1 . ARG A 1 206 ? 15.119 88.072 18.349 1.00 26.08 ? 206 ARG A NH1 1 ATOM 1585 N NH2 . ARG A 1 206 ? 14.647 89.414 20.139 1.00 28.04 ? 206 ARG A NH2 1 ATOM 1586 N N . ALA A 1 207 ? 10.031 92.499 15.036 1.00 21.91 ? 207 ALA A N 1 ATOM 1587 C CA . ALA A 1 207 ? 9.581 93.885 14.701 1.00 21.74 ? 207 ALA A CA 1 ATOM 1588 C C . ALA A 1 207 ? 8.451 93.952 13.661 1.00 21.89 ? 207 ALA A C 1 ATOM 1589 O O . ALA A 1 207 ? 8.218 93.005 12.893 1.00 21.01 ? 207 ALA A O 1 ATOM 1590 C CB . ALA A 1 207 ? 10.748 94.711 14.254 1.00 22.20 ? 207 ALA A CB 1 ATOM 1591 N N . SER A 1 208 ? 7.745 95.091 13.679 1.00 21.46 ? 208 SER A N 1 ATOM 1592 C CA . SER A 1 208 ? 6.538 95.317 12.872 1.00 22.15 ? 208 SER A CA 1 ATOM 1593 C C . SER A 1 208 ? 6.607 96.753 12.265 1.00 22.36 ? 208 SER A C 1 ATOM 1594 O O . SER A 1 208 ? 6.812 97.722 12.993 1.00 21.56 ? 208 SER A O 1 ATOM 1595 C CB . SER A 1 208 ? 5.306 95.149 13.749 1.00 21.58 ? 208 SER A CB 1 ATOM 1596 O OG . SER A 1 208 ? 4.112 95.339 13.021 1.00 24.90 ? 208 SER A OG 1 ATOM 1597 N N . HIS A 1 209 ? 6.461 96.841 10.932 1.00 21.56 ? 209 HIS A N 1 ATOM 1598 C CA . HIS A 1 209 ? 6.792 98.014 10.157 1.00 20.92 ? 209 HIS A CA 1 ATOM 1599 C C . HIS A 1 209 ? 5.649 98.235 9.206 1.00 20.64 ? 209 HIS A C 1 ATOM 1600 O O . HIS A 1 209 ? 5.039 97.276 8.679 1.00 19.16 ? 209 HIS A O 1 ATOM 1601 C CB . HIS A 1 209 ? 8.108 97.764 9.436 1.00 20.38 ? 209 HIS A CB 1 ATOM 1602 C CG . HIS A 1 209 ? 8.584 98.882 8.554 1.00 21.54 ? 209 HIS A CG 1 ATOM 1603 N ND1 . HIS A 1 209 ? 9.538 99.795 8.959 1.00 23.81 ? 209 HIS A ND1 1 ATOM 1604 C CD2 . HIS A 1 209 ? 8.340 99.156 7.246 1.00 23.07 ? 209 HIS A CD2 1 ATOM 1605 C CE1 . HIS A 1 209 ? 9.828 100.613 7.956 1.00 24.08 ? 209 HIS A CE1 1 ATOM 1606 N NE2 . HIS A 1 209 ? 9.125 100.237 6.899 1.00 26.45 ? 209 HIS A NE2 1 ATOM 1607 N N . VAL A 1 210 ? 5.288 99.508 9.079 1.00 20.74 ? 210 VAL A N 1 ATOM 1608 C CA . VAL A 1 210 ? 4.201 99.961 8.223 1.00 21.55 ? 210 VAL A CA 1 ATOM 1609 C C . VAL A 1 210 ? 4.803 101.115 7.416 1.00 21.71 ? 210 VAL A C 1 ATOM 1610 O O . VAL A 1 210 ? 5.552 101.940 7.972 1.00 22.02 ? 210 VAL A O 1 ATOM 1611 C CB . VAL A 1 210 ? 2.934 100.349 9.067 1.00 22.33 ? 210 VAL A CB 1 ATOM 1612 C CG1 . VAL A 1 210 ? 1.760 100.743 8.170 1.00 22.96 ? 210 VAL A CG1 1 ATOM 1613 C CG2 . VAL A 1 210 ? 2.557 99.213 9.943 1.00 22.87 ? 210 VAL A CG2 1 ATOM 1614 N N . ALA A 1 211 ? 4.550 101.165 6.109 1.00 21.25 ? 211 ALA A N 1 ATOM 1615 C CA . ALA A 1 211 ? 5.154 102.236 5.289 1.00 20.71 ? 211 ALA A CA 1 ATOM 1616 C C . ALA A 1 211 ? 4.472 102.484 3.965 1.00 20.88 ? 211 ALA A C 1 ATOM 1617 O O . ALA A 1 211 ? 4.509 101.600 3.091 1.00 19.68 ? 211 ALA A O 1 ATOM 1618 C CB . ALA A 1 211 ? 6.623 101.888 5.019 1.00 20.37 ? 211 ALA A CB 1 ATOM 1619 N N . PRO A 1 212 ? 3.870 103.664 3.763 1.00 20.57 ? 212 PRO A N 1 ATOM 1620 C CA . PRO A 1 212 ? 3.439 104.041 2.433 1.00 19.94 ? 212 PRO A CA 1 ATOM 1621 C C . PRO A 1 212 ? 4.595 104.432 1.573 1.00 19.94 ? 212 PRO A C 1 ATOM 1622 O O . PRO A 1 212 ? 5.567 104.947 2.087 1.00 18.78 ? 212 PRO A O 1 ATOM 1623 C CB . PRO A 1 212 ? 2.549 105.232 2.680 1.00 20.77 ? 212 PRO A CB 1 ATOM 1624 C CG . PRO A 1 212 ? 3.071 105.828 3.970 1.00 20.66 ? 212 PRO A CG 1 ATOM 1625 C CD . PRO A 1 212 ? 3.446 104.651 4.772 1.00 21.70 ? 212 PRO A CD 1 ATOM 1626 N N . HIS A 1 213 ? 4.491 104.142 0.271 1.00 19.85 ? 213 HIS A N 1 ATOM 1627 C CA . HIS A 1 213 ? 5.476 104.501 -0.697 1.00 20.24 ? 213 HIS A CA 1 ATOM 1628 C C . HIS A 1 213 ? 4.808 105.112 -1.910 1.00 21.56 ? 213 HIS A C 1 ATOM 1629 O O . HIS A 1 213 ? 4.067 104.450 -2.632 1.00 21.82 ? 213 HIS A O 1 ATOM 1630 C CB . HIS A 1 213 ? 6.276 103.332 -1.216 1.00 19.65 ? 213 HIS A CB 1 ATOM 1631 C CG . HIS A 1 213 ? 7.160 102.662 -0.224 1.00 18.41 ? 213 HIS A CG 1 ATOM 1632 N ND1 . HIS A 1 213 ? 6.676 101.812 0.742 1.00 22.13 ? 213 HIS A ND1 1 ATOM 1633 C CD2 . HIS A 1 213 ? 8.507 102.604 -0.137 1.00 20.33 ? 213 HIS A CD2 1 ATOM 1634 C CE1 . HIS A 1 213 ? 7.688 101.312 1.430 1.00 21.36 ? 213 HIS A CE1 1 ATOM 1635 N NE2 . HIS A 1 213 ? 8.813 101.772 0.910 1.00 24.50 ? 213 HIS A NE2 1 ATOM 1636 N N . THR A 1 214 ? 5.139 106.372 -2.170 1.00 22.13 ? 214 THR A N 1 ATOM 1637 C CA . THR A 1 214 ? 4.502 107.135 -3.220 1.00 22.59 ? 214 THR A CA 1 ATOM 1638 C C . THR A 1 214 ? 5.404 107.108 -4.439 1.00 23.18 ? 214 THR A C 1 ATOM 1639 O O . THR A 1 214 ? 6.648 107.032 -4.326 1.00 23.40 ? 214 THR A O 1 ATOM 1640 C CB . THR A 1 214 ? 4.306 108.629 -2.783 1.00 22.77 ? 214 THR A CB 1 ATOM 1641 O OG1 . THR A 1 214 ? 5.544 109.134 -2.262 1.00 21.34 ? 214 THR A OG1 1 ATOM 1642 C CG2 . THR A 1 214 ? 3.343 108.775 -1.673 1.00 22.22 ? 214 THR A CG2 1 ATOM 1643 N N . CYS A 1 215 ? 4.758 107.174 -5.600 1.00 24.21 ? 215 CYS A N 1 ATOM 1644 C CA . CYS A 1 215 ? 5.401 107.439 -6.884 1.00 24.68 ? 215 CYS A CA 1 ATOM 1645 C C . CYS A 1 215 ? 4.645 108.591 -7.516 1.00 23.80 ? 215 CYS A C 1 ATOM 1646 O O . CYS A 1 215 ? 3.455 108.714 -7.309 1.00 20.92 ? 215 CYS A O 1 ATOM 1647 C CB . CYS A 1 215 ? 5.297 106.216 -7.795 1.00 25.48 ? 215 CYS A CB 1 ATOM 1648 S SG . CYS A 1 215 ? 6.068 104.773 -7.040 1.00 30.40 ? 215 CYS A SG 1 ATOM 1649 N N . ASN A 1 216 ? 5.339 109.412 -8.295 1.00 24.24 ? 216 ASN A N 1 ATOM 1650 C CA . ASN A 1 216 ? 4.680 110.558 -8.941 1.00 25.44 ? 216 ASN A CA 1 ATOM 1651 C C . ASN A 1 216 ? 3.980 110.178 -10.275 1.00 26.13 ? 216 ASN A C 1 ATOM 1652 O O . ASN A 1 216 ? 3.602 111.077 -11.063 1.00 26.53 ? 216 ASN A O 1 ATOM 1653 C CB . ASN A 1 216 ? 5.635 111.771 -9.101 1.00 24.76 ? 216 ASN A CB 1 ATOM 1654 C CG . ASN A 1 216 ? 6.784 111.502 -10.026 1.00 26.84 ? 216 ASN A CG 1 ATOM 1655 O OD1 . ASN A 1 216 ? 6.882 110.434 -10.588 1.00 33.66 ? 216 ASN A OD1 1 ATOM 1656 N ND2 . ASN A 1 216 ? 7.677 112.464 -10.182 1.00 29.61 ? 216 ASN A ND2 1 ATOM 1657 N N . LYS A 1 217 ? 3.796 108.861 -10.509 1.00 26.75 ? 217 LYS A N 1 ATOM 1658 C CA . LYS A 1 217 ? 3.036 108.325 -11.669 1.00 26.92 ? 217 LYS A CA 1 ATOM 1659 C C . LYS A 1 217 ? 1.841 107.518 -11.191 1.00 27.48 ? 217 LYS A C 1 ATOM 1660 O O . LYS A 1 217 ? 1.827 107.006 -10.064 1.00 27.64 ? 217 LYS A O 1 ATOM 1661 C CB . LYS A 1 217 ? 3.902 107.450 -12.566 1.00 27.06 ? 217 LYS A CB 1 ATOM 1662 C CG . LYS A 1 217 ? 5.257 108.017 -12.971 1.00 27.73 ? 217 LYS A CG 1 ATOM 1663 C CD . LYS A 1 217 ? 5.210 109.305 -13.859 1.00 28.19 ? 217 LYS A CD 1 ATOM 1664 C CE . LYS A 1 217 ? 6.571 110.079 -13.778 1.00 28.40 ? 217 LYS A CE 1 ATOM 1665 N NZ . LYS A 1 217 ? 6.486 111.549 -14.031 1.00 32.36 ? 217 LYS A NZ 1 ATOM 1666 N N . LYS A 1 218 ? 0.834 107.406 -12.050 1.00 27.76 ? 218 LYS A N 1 ATOM 1667 C CA . LYS A 1 218 ? -0.333 106.616 -11.773 1.00 27.78 ? 218 LYS A CA 1 ATOM 1668 C C . LYS A 1 218 ? -0.055 105.251 -12.393 1.00 27.51 ? 218 LYS A C 1 ATOM 1669 O O . LYS A 1 218 ? 0.484 105.187 -13.515 1.00 27.83 ? 218 LYS A O 1 ATOM 1670 C CB . LYS A 1 218 ? -1.560 107.254 -12.431 1.00 29.45 ? 218 LYS A CB 1 ATOM 1671 C CG . LYS A 1 218 ? -2.160 108.438 -11.663 1.00 31.06 ? 218 LYS A CG 1 ATOM 1672 C CD . LYS A 1 218 ? -3.396 109.041 -12.410 1.00 31.72 ? 218 LYS A CD 1 ATOM 1673 C CE . LYS A 1 218 ? -3.927 110.337 -11.726 1.00 34.20 ? 218 LYS A CE 1 ATOM 1674 N NZ . LYS A 1 218 ? -5.285 110.677 -12.266 1.00 36.02 ? 218 LYS A NZ 1 ATOM 1675 N N . GLY A 1 219 ? -0.340 104.165 -11.665 1.00 25.56 ? 219 GLY A N 1 ATOM 1676 C CA . GLY A 1 219 ? -0.324 102.850 -12.283 1.00 24.64 ? 219 GLY A CA 1 ATOM 1677 C C . GLY A 1 219 ? 1.074 102.368 -12.370 1.00 22.54 ? 219 GLY A C 1 ATOM 1678 O O . GLY A 1 219 ? 1.920 102.839 -11.633 1.00 22.85 ? 219 GLY A O 1 ATOM 1679 N N . LEU A 1 220 ? 1.315 101.397 -13.229 1.00 21.35 ? 220 LEU A N 1 ATOM 1680 C CA . LEU A 1 220 ? 2.619 100.819 -13.357 1.00 21.49 ? 220 LEU A CA 1 ATOM 1681 C C . LEU A 1 220 ? 3.285 101.659 -14.377 1.00 22.07 ? 220 LEU A C 1 ATOM 1682 O O . LEU A 1 220 ? 2.755 101.848 -15.468 1.00 22.31 ? 220 LEU A O 1 ATOM 1683 C CB . LEU A 1 220 ? 2.609 99.380 -13.874 1.00 21.22 ? 220 LEU A CB 1 ATOM 1684 C CG . LEU A 1 220 ? 3.930 98.598 -13.963 1.00 21.03 ? 220 LEU A CG 1 ATOM 1685 C CD1 . LEU A 1 220 ? 3.615 97.126 -13.983 1.00 22.90 ? 220 LEU A CD1 1 ATOM 1686 C CD2 . LEU A 1 220 ? 4.762 98.860 -15.161 1.00 22.00 ? 220 LEU A CD2 1 ATOM 1687 N N . TYR A 1 221 ? 4.477 102.085 -14.044 1.00 22.21 ? 221 TYR A N 1 ATOM 1688 C CA . TYR A 1 221 ? 5.219 102.964 -14.882 1.00 23.02 ? 221 TYR A CA 1 ATOM 1689 C C . TYR A 1 221 ? 6.510 102.282 -15.214 1.00 22.85 ? 221 TYR A C 1 ATOM 1690 O O . TYR A 1 221 ? 7.201 101.867 -14.316 1.00 21.71 ? 221 TYR A O 1 ATOM 1691 C CB . TYR A 1 221 ? 5.512 104.241 -14.105 1.00 23.20 ? 221 TYR A CB 1 ATOM 1692 C CG . TYR A 1 221 ? 6.364 105.210 -14.854 1.00 22.42 ? 221 TYR A CG 1 ATOM 1693 C CD1 . TYR A 1 221 ? 5.789 106.044 -15.818 1.00 22.34 ? 221 TYR A CD1 1 ATOM 1694 C CD2 . TYR A 1 221 ? 7.730 105.327 -14.595 1.00 23.60 ? 221 TYR A CD2 1 ATOM 1695 C CE1 . TYR A 1 221 ? 6.543 106.957 -16.505 1.00 22.17 ? 221 TYR A CE1 1 ATOM 1696 C CE2 . TYR A 1 221 ? 8.506 106.259 -15.304 1.00 23.03 ? 221 TYR A CE2 1 ATOM 1697 C CZ . TYR A 1 221 ? 7.884 107.047 -16.270 1.00 22.89 ? 221 TYR A CZ 1 ATOM 1698 O OH . TYR A 1 221 ? 8.573 107.968 -17.023 1.00 27.74 ? 221 TYR A OH 1 ATOM 1699 N N . LEU A 1 222 ? 6.844 102.167 -16.497 1.00 22.88 ? 222 LEU A N 1 ATOM 1700 C CA . LEU A 1 222 ? 8.165 101.656 -16.850 1.00 23.83 ? 222 LEU A CA 1 ATOM 1701 C C . LEU A 1 222 ? 9.173 102.820 -16.897 1.00 24.27 ? 222 LEU A C 1 ATOM 1702 O O . LEU A 1 222 ? 9.126 103.666 -17.797 1.00 21.01 ? 222 LEU A O 1 ATOM 1703 C CB . LEU A 1 222 ? 8.156 100.936 -18.194 1.00 23.53 ? 222 LEU A CB 1 ATOM 1704 C CG . LEU A 1 222 ? 7.255 99.702 -18.319 1.00 23.22 ? 222 LEU A CG 1 ATOM 1705 C CD1 . LEU A 1 222 ? 5.816 100.077 -18.385 1.00 23.30 ? 222 LEU A CD1 1 ATOM 1706 C CD2 . LEU A 1 222 ? 7.693 98.920 -19.547 1.00 24.66 ? 222 LEU A CD2 1 ATOM 1707 N N . CYS A 1 223 ? 10.092 102.792 -15.932 1.00 25.73 ? 223 CYS A N 1 ATOM 1708 C CA . CYS A 1 223 ? 11.134 103.811 -15.739 1.00 27.58 ? 223 CYS A CA 1 ATOM 1709 C C . CYS A 1 223 ? 12.443 103.465 -16.457 1.00 28.11 ? 223 CYS A C 1 ATOM 1710 O O . CYS A 1 223 ? 12.796 102.297 -16.570 1.00 26.91 ? 223 CYS A O 1 ATOM 1711 C CB . CYS A 1 223 ? 11.427 103.943 -14.225 1.00 28.17 ? 223 CYS A CB 1 ATOM 1712 S SG . CYS A 1 223 ? 12.386 102.549 -13.529 1.00 31.55 ? 223 CYS A SG 1 ATOM 1713 N N . GLU A 1 224 ? 13.170 104.478 -16.919 1.00 29.03 ? 224 GLU A N 1 ATOM 1714 C CA . GLU A 1 224 ? 14.513 104.274 -17.450 1.00 31.11 ? 224 GLU A CA 1 ATOM 1715 C C . GLU A 1 224 ? 15.526 105.206 -16.818 1.00 31.50 ? 224 GLU A C 1 ATOM 1716 O O . GLU A 1 224 ? 15.192 106.311 -16.396 1.00 31.77 ? 224 GLU A O 1 ATOM 1717 C CB . GLU A 1 224 ? 14.557 104.427 -18.968 1.00 31.86 ? 224 GLU A CB 1 ATOM 1718 C CG . GLU A 1 224 ? 14.330 105.845 -19.474 1.00 33.82 ? 224 GLU A CG 1 ATOM 1719 C CD . GLU A 1 224 ? 14.199 105.879 -20.995 1.00 35.25 ? 224 GLU A CD 1 ATOM 1720 O OE1 . GLU A 1 224 ? 15.083 105.293 -21.678 1.00 39.76 ? 224 GLU A OE1 1 ATOM 1721 O OE2 . GLU A 1 224 ? 13.199 106.474 -21.502 1.00 41.66 ? 224 GLU A OE2 1 ATOM 1722 N N . GLY A 1 225 ? 16.763 104.731 -16.759 1.00 32.45 ? 225 GLY A N 1 ATOM 1723 C CA . GLY A 1 225 ? 17.874 105.477 -16.204 1.00 32.72 ? 225 GLY A CA 1 ATOM 1724 C C . GLY A 1 225 ? 17.613 105.927 -14.779 1.00 33.39 ? 225 GLY A C 1 ATOM 1725 O O . GLY A 1 225 ? 17.218 105.115 -13.917 1.00 32.69 ? 225 GLY A O 1 ATOM 1726 N N . GLU A 1 226 ? 17.826 107.233 -14.554 1.00 33.64 ? 226 GLU A N 1 ATOM 1727 C CA . GLU A 1 226 ? 17.795 107.842 -13.230 1.00 33.26 ? 226 GLU A CA 1 ATOM 1728 C C . GLU A 1 226 ? 16.386 107.793 -12.654 1.00 32.63 ? 226 GLU A C 1 ATOM 1729 O O . GLU A 1 226 ? 16.209 107.937 -11.438 1.00 32.21 ? 226 GLU A O 1 ATOM 1730 C CB . GLU A 1 226 ? 18.265 109.301 -13.283 1.00 34.88 ? 226 GLU A CB 1 ATOM 1731 C CG . GLU A 1 226 ? 19.335 109.749 -12.253 1.00 38.92 ? 226 GLU A CG 1 ATOM 1732 C CD . GLU A 1 226 ? 18.916 109.809 -10.757 1.00 43.65 ? 226 GLU A CD 1 ATOM 1733 O OE1 . GLU A 1 226 ? 17.696 109.936 -10.404 1.00 44.27 ? 226 GLU A OE1 1 ATOM 1734 O OE2 . GLU A 1 226 ? 19.860 109.742 -9.893 1.00 44.59 ? 226 GLU A OE2 1 ATOM 1735 N N . GLU A 1 227 ? 15.372 107.611 -13.504 1.00 32.04 ? 227 GLU A N 1 ATOM 1736 C CA . GLU A 1 227 ? 13.983 107.551 -13.022 1.00 32.07 ? 227 GLU A CA 1 ATOM 1737 C C . GLU A 1 227 ? 13.776 106.410 -12.013 1.00 31.22 ? 227 GLU A C 1 ATOM 1738 O O . GLU A 1 227 ? 12.890 106.497 -11.169 1.00 29.68 ? 227 GLU A O 1 ATOM 1739 C CB . GLU A 1 227 ? 13.019 107.345 -14.173 1.00 32.53 ? 227 GLU A CB 1 ATOM 1740 C CG . GLU A 1 227 ? 12.701 108.547 -15.054 1.00 32.83 ? 227 GLU A CG 1 ATOM 1741 C CD . GLU A 1 227 ? 11.644 108.155 -16.113 1.00 34.48 ? 227 GLU A CD 1 ATOM 1742 O OE1 . GLU A 1 227 ? 11.854 107.113 -16.786 1.00 35.02 ? 227 GLU A OE1 1 ATOM 1743 O OE2 . GLU A 1 227 ? 10.571 108.829 -16.238 1.00 35.90 ? 227 GLU A OE2 1 ATOM 1744 N N . CYS A 1 228 ? 14.629 105.371 -12.112 1.00 30.89 ? 228 CYS A N 1 ATOM 1745 C CA . CYS A 1 228 ? 14.545 104.144 -11.299 1.00 31.58 ? 228 CYS A CA 1 ATOM 1746 C C . CYS A 1 228 ? 15.312 104.221 -10.021 1.00 30.76 ? 228 CYS A C 1 ATOM 1747 O O . CYS A 1 228 ? 15.278 103.295 -9.214 1.00 30.57 ? 228 CYS A O 1 ATOM 1748 C CB . CYS A 1 228 ? 15.126 102.967 -12.073 1.00 31.87 ? 228 CYS A CB 1 ATOM 1749 S SG . CYS A 1 228 ? 14.431 102.769 -13.719 1.00 35.93 ? 228 CYS A SG 1 ATOM 1750 N N . ALA A 1 229 ? 16.028 105.326 -9.858 1.00 30.72 ? 229 ALA A N 1 ATOM 1751 C CA . ALA A 1 229 ? 16.987 105.467 -8.793 1.00 30.46 ? 229 ALA A CA 1 ATOM 1752 C C . ALA A 1 229 ? 16.388 106.298 -7.674 1.00 29.96 ? 229 ALA A C 1 ATOM 1753 O O . ALA A 1 229 ? 15.189 106.702 -7.691 1.00 28.44 ? 229 ALA A O 1 ATOM 1754 C CB . ALA A 1 229 ? 18.293 106.098 -9.322 1.00 31.05 ? 229 ALA A CB 1 ATOM 1755 N N . PHE A 1 230 ? 17.224 106.528 -6.678 1.00 29.39 ? 230 PHE A N 1 ATOM 1756 C CA . PHE A 1 230 ? 16.748 107.074 -5.436 1.00 29.52 ? 230 PHE A CA 1 ATOM 1757 C C . PHE A 1 230 ? 16.064 108.430 -5.592 1.00 28.98 ? 230 PHE A C 1 ATOM 1758 O O . PHE A 1 230 ? 15.113 108.731 -4.892 1.00 28.00 ? 230 PHE A O 1 ATOM 1759 C CB . PHE A 1 230 ? 17.880 107.135 -4.405 1.00 30.85 ? 230 PHE A CB 1 ATOM 1760 C CG . PHE A 1 230 ? 17.394 107.526 -3.054 1.00 31.00 ? 230 PHE A CG 1 ATOM 1761 C CD1 . PHE A 1 230 ? 17.304 108.884 -2.703 1.00 33.59 ? 230 PHE A CD1 1 ATOM 1762 C CD2 . PHE A 1 230 ? 16.957 106.570 -2.174 1.00 32.54 ? 230 PHE A CD2 1 ATOM 1763 C CE1 . PHE A 1 230 ? 16.837 109.282 -1.468 1.00 31.86 ? 230 PHE A CE1 1 ATOM 1764 C CE2 . PHE A 1 230 ? 16.475 106.942 -0.922 1.00 33.55 ? 230 PHE A CE2 1 ATOM 1765 C CZ . PHE A 1 230 ? 16.411 108.319 -0.576 1.00 33.99 ? 230 PHE A CZ 1 ATOM 1766 N N . GLU A 1 231 ? 16.542 109.245 -6.525 1.00 29.66 ? 231 GLU A N 1 ATOM 1767 C CA . GLU A 1 231 ? 15.994 110.596 -6.712 1.00 29.42 ? 231 GLU A CA 1 ATOM 1768 C C . GLU A 1 231 ? 15.023 110.562 -7.884 1.00 29.68 ? 231 GLU A C 1 ATOM 1769 O O . GLU A 1 231 ? 14.619 111.608 -8.414 1.00 30.33 ? 231 GLU A O 1 ATOM 1770 C CB . GLU A 1 231 ? 17.120 111.609 -6.962 1.00 30.67 ? 231 GLU A CB 1 ATOM 1771 C CG . GLU A 1 231 ? 18.208 111.687 -5.865 1.00 31.36 ? 231 GLU A CG 1 ATOM 1772 C CD . GLU A 1 231 ? 17.737 112.232 -4.522 1.00 31.47 ? 231 GLU A CD 1 ATOM 1773 O OE1 . GLU A 1 231 ? 16.711 112.922 -4.468 1.00 31.70 ? 231 GLU A OE1 1 ATOM 1774 O OE2 . GLU A 1 231 ? 18.403 111.969 -3.491 1.00 32.92 ? 231 GLU A OE2 1 ATOM 1775 N N . GLY A 1 232 ? 14.591 109.347 -8.240 1.00 28.53 ? 232 GLY A N 1 ATOM 1776 C CA . GLY A 1 232 ? 13.707 109.120 -9.370 1.00 27.37 ? 232 GLY A CA 1 ATOM 1777 C C . GLY A 1 232 ? 12.244 109.294 -9.017 1.00 26.70 ? 232 GLY A C 1 ATOM 1778 O O . GLY A 1 232 ? 11.873 110.191 -8.243 1.00 26.18 ? 232 GLY A O 1 ATOM 1779 N N . VAL A 1 233 ? 11.406 108.446 -9.606 1.00 24.83 ? 233 VAL A N 1 ATOM 1780 C CA . VAL A 1 233 ? 9.952 108.683 -9.598 1.00 25.27 ? 233 VAL A CA 1 ATOM 1781 C C . VAL A 1 233 ? 9.219 107.992 -8.462 1.00 24.32 ? 233 VAL A C 1 ATOM 1782 O O . VAL A 1 233 ? 8.053 108.312 -8.233 1.00 25.57 ? 233 VAL A O 1 ATOM 1783 C CB . VAL A 1 233 ? 9.229 108.332 -10.985 1.00 25.54 ? 233 VAL A CB 1 ATOM 1784 C CG1 . VAL A 1 233 ? 9.814 109.183 -12.163 1.00 25.37 ? 233 VAL A CG1 1 ATOM 1785 C CG2 . VAL A 1 233 ? 9.300 106.846 -11.323 1.00 26.72 ? 233 VAL A CG2 1 ATOM 1786 N N . CYS A 1 234 ? 9.881 107.056 -7.778 1.00 23.36 ? 234 CYS A N 1 ATOM 1787 C CA . CYS A 1 234 ? 9.309 106.400 -6.603 1.00 23.24 ? 234 CYS A CA 1 ATOM 1788 C C . CYS A 1 234 ? 10.120 106.577 -5.343 1.00 22.41 ? 234 CYS A C 1 ATOM 1789 O O . CYS A 1 234 ? 11.332 106.798 -5.367 1.00 21.60 ? 234 CYS A O 1 ATOM 1790 C CB . CYS A 1 234 ? 9.162 104.884 -6.839 1.00 24.01 ? 234 CYS A CB 1 ATOM 1791 S SG . CYS A 1 234 ? 7.834 104.528 -7.961 1.00 25.47 ? 234 CYS A SG 1 ATOM 1792 N N . ASP A 1 235 ? 9.405 106.431 -4.240 1.00 23.15 ? 235 ASP A N 1 ATOM 1793 C CA . ASP A 1 235 ? 9.941 106.539 -2.910 1.00 23.12 ? 235 ASP A CA 1 ATOM 1794 C C . ASP A 1 235 ? 10.430 105.173 -2.401 1.00 23.85 ? 235 ASP A C 1 ATOM 1795 O O . ASP A 1 235 ? 9.645 104.393 -1.876 1.00 22.48 ? 235 ASP A O 1 ATOM 1796 C CB . ASP A 1 235 ? 8.813 107.077 -2.043 1.00 23.67 ? 235 ASP A CB 1 ATOM 1797 C CG . ASP A 1 235 ? 9.158 107.108 -0.600 1.00 22.52 ? 235 ASP A CG 1 ATOM 1798 O OD1 . ASP A 1 235 ? 10.342 107.208 -0.247 1.00 26.13 ? 235 ASP A OD1 1 ATOM 1799 O OD2 . ASP A 1 235 ? 8.289 107.000 0.241 1.00 24.27 ? 235 ASP A OD2 1 ATOM 1800 N N . LYS A 1 236 ? 11.726 104.888 -2.576 1.00 24.41 ? 236 LYS A N 1 ATOM 1801 C CA . LYS A 1 236 ? 12.279 103.603 -2.175 1.00 24.21 ? 236 LYS A CA 1 ATOM 1802 C C . LYS A 1 236 ? 12.132 103.424 -0.689 1.00 24.64 ? 236 LYS A C 1 ATOM 1803 O O . LYS A 1 236 ? 11.715 102.339 -0.255 1.00 24.70 ? 236 LYS A O 1 ATOM 1804 C CB . LYS A 1 236 ? 13.744 103.439 -2.620 1.00 23.90 ? 236 LYS A CB 1 ATOM 1805 C CG . LYS A 1 236 ? 13.937 103.554 -4.104 1.00 23.12 ? 236 LYS A CG 1 ATOM 1806 C CD . LYS A 1 236 ? 15.311 103.135 -4.483 1.00 24.09 ? 236 LYS A CD 1 ATOM 1807 C CE . LYS A 1 236 ? 15.586 103.200 -5.976 1.00 24.34 ? 236 LYS A CE 1 ATOM 1808 N NZ . LYS A 1 236 ? 14.851 102.220 -6.832 1.00 21.55 ? 236 LYS A NZ 1 ATOM 1809 N N . ASN A 1 237 ? 12.421 104.462 0.104 1.00 25.19 ? 237 ASN A N 1 ATOM 1810 C CA . ASN A 1 237 ? 12.375 104.326 1.589 1.00 26.26 ? 237 ASN A CA 1 ATOM 1811 C C . ASN A 1 237 ? 10.993 104.259 2.203 1.00 26.01 ? 237 ASN A C 1 ATOM 1812 O O . ASN A 1 237 ? 10.826 103.657 3.228 1.00 26.94 ? 237 ASN A O 1 ATOM 1813 C CB . ASN A 1 237 ? 13.091 105.475 2.334 1.00 26.26 ? 237 ASN A CB 1 ATOM 1814 C CG . ASN A 1 237 ? 14.553 105.472 2.137 1.00 27.73 ? 237 ASN A CG 1 ATOM 1815 O OD1 . ASN A 1 237 ? 15.080 104.577 1.498 1.00 29.35 ? 237 ASN A OD1 1 ATOM 1816 N ND2 . ASN A 1 237 ? 15.253 106.519 2.669 1.00 28.90 ? 237 ASN A ND2 1 ATOM 1817 N N . GLY A 1 238 ? 10.021 104.953 1.651 1.00 26.99 ? 238 GLY A N 1 ATOM 1818 C CA . GLY A 1 238 ? 8.688 104.947 2.238 1.00 27.37 ? 238 GLY A CA 1 ATOM 1819 C C . GLY A 1 238 ? 8.699 105.760 3.502 1.00 27.73 ? 238 GLY A C 1 ATOM 1820 O O . GLY A 1 238 ? 9.755 106.186 3.947 1.00 29.50 ? 238 GLY A O 1 ATOM 1821 N N . CYS A 1 239 ? 7.549 105.977 4.101 1.00 27.62 ? 239 CYS A N 1 ATOM 1822 C CA . CYS A 1 239 ? 7.534 106.645 5.382 1.00 27.27 ? 239 CYS A CA 1 ATOM 1823 C C . CYS A 1 239 ? 7.375 105.610 6.459 1.00 26.11 ? 239 CYS A C 1 ATOM 1824 O O . CYS A 1 239 ? 6.272 105.196 6.745 1.00 24.70 ? 239 CYS A O 1 ATOM 1825 C CB . CYS A 1 239 ? 6.394 107.652 5.473 1.00 28.05 ? 239 CYS A CB 1 ATOM 1826 S SG . CYS A 1 239 ? 6.140 108.383 7.152 1.00 31.92 ? 239 CYS A SG 1 ATOM 1827 N N . GLY A 1 240 ? 8.485 105.240 7.091 1.00 26.22 ? 240 GLY A N 1 ATOM 1828 C CA . GLY A 1 240 ? 8.519 104.074 7.990 1.00 25.39 ? 240 GLY A CA 1 ATOM 1829 C C . GLY A 1 240 ? 7.937 104.371 9.378 1.00 25.09 ? 240 GLY A C 1 ATOM 1830 O O . GLY A 1 240 ? 8.307 105.387 10.027 1.00 24.09 ? 240 GLY A O 1 ATOM 1831 N N . TRP A 1 241 ? 7.038 103.484 9.806 1.00 22.56 ? 241 TRP A N 1 ATOM 1832 C CA . TRP A 1 241 ? 6.463 103.486 11.113 1.00 22.13 ? 241 TRP A CA 1 ATOM 1833 C C . TRP A 1 241 ? 6.816 102.169 11.866 1.00 22.14 ? 241 TRP A C 1 ATOM 1834 O O . TRP A 1 241 ? 6.335 101.109 11.500 1.00 22.99 ? 241 TRP A O 1 ATOM 1835 C CB . TRP A 1 241 ? 4.977 103.561 10.914 1.00 21.71 ? 241 TRP A CB 1 ATOM 1836 C CG . TRP A 1 241 ? 4.118 103.581 12.114 1.00 21.49 ? 241 TRP A CG 1 ATOM 1837 C CD1 . TRP A 1 241 ? 3.264 102.599 12.544 1.00 21.88 ? 241 TRP A CD1 1 ATOM 1838 C CD2 . TRP A 1 241 ? 3.911 104.699 12.991 1.00 23.02 ? 241 TRP A CD2 1 ATOM 1839 N NE1 . TRP A 1 241 ? 2.568 103.032 13.655 1.00 22.71 ? 241 TRP A NE1 1 ATOM 1840 C CE2 . TRP A 1 241 ? 2.951 104.316 13.950 1.00 21.15 ? 241 TRP A CE2 1 ATOM 1841 C CE3 . TRP A 1 241 ? 4.433 105.985 13.055 1.00 20.44 ? 241 TRP A CE3 1 ATOM 1842 C CZ2 . TRP A 1 241 ? 2.522 105.174 14.971 1.00 22.66 ? 241 TRP A CZ2 1 ATOM 1843 C CZ3 . TRP A 1 241 ? 4.015 106.819 14.110 1.00 22.01 ? 241 TRP A CZ3 1 ATOM 1844 C CH2 . TRP A 1 241 ? 3.083 106.402 15.041 1.00 20.71 ? 241 TRP A CH2 1 ATOM 1845 N N . ASN A 1 242 ? 7.590 102.260 12.938 1.00 20.57 ? 242 ASN A N 1 ATOM 1846 C CA . ASN A 1 242 ? 8.051 101.096 13.722 1.00 20.73 ? 242 ASN A CA 1 ATOM 1847 C C . ASN A 1 242 ? 8.350 101.572 15.130 1.00 19.95 ? 242 ASN A C 1 ATOM 1848 O O . ASN A 1 242 ? 9.305 102.306 15.290 1.00 20.86 ? 242 ASN A O 1 ATOM 1849 C CB . ASN A 1 242 ? 9.345 100.569 13.088 1.00 19.30 ? 242 ASN A CB 1 ATOM 1850 C CG . ASN A 1 242 ? 10.003 99.451 13.861 1.00 20.20 ? 242 ASN A CG 1 ATOM 1851 O OD1 . ASN A 1 242 ? 9.689 99.181 15.013 1.00 23.44 ? 242 ASN A OD1 1 ATOM 1852 N ND2 . ASN A 1 242 ? 10.967 98.806 13.220 1.00 19.53 ? 242 ASN A ND2 1 ATOM 1853 N N . ASN A 1 243 ? 7.593 101.113 16.126 1.00 20.33 ? 243 ASN A N 1 ATOM 1854 C CA . ASN A 1 243 ? 7.835 101.432 17.552 1.00 20.95 ? 243 ASN A CA 1 ATOM 1855 C C . ASN A 1 243 ? 9.304 101.594 17.937 1.00 22.22 ? 243 ASN A C 1 ATOM 1856 O O . ASN A 1 243 ? 9.681 102.607 18.532 1.00 19.93 ? 243 ASN A O 1 ATOM 1857 C CB . ASN A 1 243 ? 7.076 100.514 18.515 1.00 20.19 ? 243 ASN A CB 1 ATOM 1858 C CG . ASN A 1 243 ? 7.475 99.021 18.418 1.00 23.10 ? 243 ASN A CG 1 ATOM 1859 O OD1 . ASN A 1 243 ? 6.901 98.278 17.625 1.00 22.62 ? 243 ASN A OD1 1 ATOM 1860 N ND2 . ASN A 1 243 ? 8.408 98.570 19.287 1.00 23.63 ? 243 ASN A ND2 1 ATOM 1861 N N . TYR A 1 244 ? 10.164 100.655 17.540 1.00 22.92 ? 244 TYR A N 1 ATOM 1862 C CA . TYR A 1 244 ? 11.553 100.776 17.920 1.00 24.10 ? 244 TYR A CA 1 ATOM 1863 C C . TYR A 1 244 ? 12.162 102.047 17.382 1.00 25.76 ? 244 TYR A C 1 ATOM 1864 O O . TYR A 1 244 ? 13.042 102.632 18.045 1.00 25.82 ? 244 TYR A O 1 ATOM 1865 C CB . TYR A 1 244 ? 12.371 99.600 17.434 1.00 24.81 ? 244 TYR A CB 1 ATOM 1866 C CG . TYR A 1 244 ? 12.235 98.367 18.269 1.00 25.96 ? 244 TYR A CG 1 ATOM 1867 C CD1 . TYR A 1 244 ? 12.908 98.247 19.490 1.00 26.22 ? 244 TYR A CD1 1 ATOM 1868 C CD2 . TYR A 1 244 ? 11.431 97.316 17.853 1.00 26.15 ? 244 TYR A CD2 1 ATOM 1869 C CE1 . TYR A 1 244 ? 12.763 97.112 20.260 1.00 24.51 ? 244 TYR A CE1 1 ATOM 1870 C CE2 . TYR A 1 244 ? 11.318 96.176 18.596 1.00 24.01 ? 244 TYR A CE2 1 ATOM 1871 C CZ . TYR A 1 244 ? 11.991 96.069 19.797 1.00 25.78 ? 244 TYR A CZ 1 ATOM 1872 O OH . TYR A 1 244 ? 11.865 94.896 20.543 1.00 24.98 ? 244 TYR A OH 1 ATOM 1873 N N . ARG A 1 245 ? 11.709 102.492 16.196 1.00 26.38 ? 245 ARG A N 1 ATOM 1874 C CA . ARG A 1 245 ? 12.289 103.685 15.574 1.00 26.50 ? 245 ARG A CA 1 ATOM 1875 C C . ARG A 1 245 ? 11.867 105.005 16.252 1.00 26.49 ? 245 ARG A C 1 ATOM 1876 O O . ARG A 1 245 ? 12.448 106.057 15.991 1.00 26.44 ? 245 ARG A O 1 ATOM 1877 C CB . ARG A 1 245 ? 11.933 103.754 14.099 1.00 26.86 ? 245 ARG A CB 1 ATOM 1878 C CG . ARG A 1 245 ? 12.785 102.899 13.218 1.00 27.69 ? 245 ARG A CG 1 ATOM 1879 C CD . ARG A 1 245 ? 12.397 103.021 11.717 1.00 29.96 ? 245 ARG A CD 1 ATOM 1880 N NE . ARG A 1 245 ? 13.185 102.089 10.920 1.00 29.50 ? 245 ARG A NE 1 ATOM 1881 C CZ . ARG A 1 245 ? 14.408 102.309 10.458 1.00 34.99 ? 245 ARG A CZ 1 ATOM 1882 N NH1 . ARG A 1 245 ? 15.054 103.468 10.689 1.00 34.88 ? 245 ARG A NH1 1 ATOM 1883 N NH2 . ARG A 1 245 ? 15.022 101.328 9.767 1.00 33.83 ? 245 ARG A NH2 1 ATOM 1884 N N . VAL A 1 246 ? 10.823 104.940 17.066 1.00 26.24 ? 246 VAL A N 1 ATOM 1885 C CA . VAL A 1 246 ? 10.324 106.078 17.814 1.00 26.86 ? 246 VAL A CA 1 ATOM 1886 C C . VAL A 1 246 ? 10.499 105.874 19.323 1.00 26.98 ? 246 VAL A C 1 ATOM 1887 O O . VAL A 1 246 ? 9.810 106.493 20.130 1.00 26.33 ? 246 VAL A O 1 ATOM 1888 C CB . VAL A 1 246 ? 8.883 106.397 17.437 1.00 25.98 ? 246 VAL A CB 1 ATOM 1889 C CG1 . VAL A 1 246 ? 8.832 106.818 15.966 1.00 26.79 ? 246 VAL A CG1 1 ATOM 1890 C CG2 . VAL A 1 246 ? 7.977 105.245 17.711 1.00 27.25 ? 246 VAL A CG2 1 ATOM 1891 N N . ASN A 1 247 ? 11.461 105.016 19.674 1.00 27.62 ? 247 ASN A N 1 ATOM 1892 C CA . ASN A 1 247 ? 11.920 104.895 21.020 1.00 27.70 ? 247 ASN A CA 1 ATOM 1893 C C . ASN A 1 247 ? 10.814 104.391 21.958 1.00 28.31 ? 247 ASN A C 1 ATOM 1894 O O . ASN A 1 247 ? 10.695 104.858 23.089 1.00 29.84 ? 247 ASN A O 1 ATOM 1895 C CB . ASN A 1 247 ? 12.482 106.249 21.448 1.00 27.92 ? 247 ASN A CB 1 ATOM 1896 C CG . ASN A 1 247 ? 13.177 106.223 22.796 1.00 28.57 ? 247 ASN A CG 1 ATOM 1897 O OD1 . ASN A 1 247 ? 13.968 105.316 23.096 1.00 28.85 ? 247 ASN A OD1 1 ATOM 1898 N ND2 . ASN A 1 247 ? 12.936 107.288 23.590 1.00 29.58 ? 247 ASN A ND2 1 ATOM 1899 N N . VAL A 1 248 ? 10.022 103.429 21.468 1.00 27.74 ? 248 VAL A N 1 ATOM 1900 C CA . VAL A 1 248 ? 9.100 102.592 22.268 1.00 26.66 ? 248 VAL A CA 1 ATOM 1901 C C . VAL A 1 248 ? 9.543 101.102 22.070 1.00 27.03 ? 248 VAL A C 1 ATOM 1902 O O . VAL A 1 248 ? 9.390 100.544 20.978 1.00 27.12 ? 248 VAL A O 1 ATOM 1903 C CB . VAL A 1 248 ? 7.639 102.735 21.805 1.00 26.14 ? 248 VAL A CB 1 ATOM 1904 C CG1 . VAL A 1 248 ? 6.714 101.879 22.652 1.00 25.99 ? 248 VAL A CG1 1 ATOM 1905 C CG2 . VAL A 1 248 ? 7.166 104.226 21.823 1.00 27.32 ? 248 VAL A CG2 1 ATOM 1906 N N . THR A 1 249 ? 10.100 100.469 23.099 1.00 26.03 ? 249 THR A N 1 ATOM 1907 C CA . THR A 1 249 ? 10.805 99.193 22.901 1.00 26.16 ? 249 THR A CA 1 ATOM 1908 C C . THR A 1 249 ? 10.063 98.008 23.460 1.00 26.20 ? 249 THR A C 1 ATOM 1909 O O . THR A 1 249 ? 10.507 96.880 23.240 1.00 27.84 ? 249 THR A O 1 ATOM 1910 C CB . THR A 1 249 ? 12.175 99.205 23.550 1.00 25.34 ? 249 THR A CB 1 ATOM 1911 O OG1 . THR A 1 249 ? 12.025 99.393 24.961 1.00 24.10 ? 249 THR A OG1 1 ATOM 1912 C CG2 . THR A 1 249 ? 13.015 100.356 23.049 1.00 26.18 ? 249 THR A CG2 1 ATOM 1913 N N . ASP A 1 250 ? 8.956 98.246 24.176 1.00 26.12 ? 250 ASP A N 1 ATOM 1914 C CA . ASP A 1 250 ? 8.150 97.182 24.807 1.00 25.29 ? 250 ASP A CA 1 ATOM 1915 C C . ASP A 1 250 ? 6.820 96.950 24.204 1.00 24.28 ? 250 ASP A C 1 ATOM 1916 O O . ASP A 1 250 ? 5.949 96.398 24.858 1.00 25.32 ? 250 ASP A O 1 ATOM 1917 C CB . ASP A 1 250 ? 7.921 97.484 26.274 1.00 26.45 ? 250 ASP A CB 1 ATOM 1918 C CG . ASP A 1 250 ? 7.288 98.834 26.500 1.00 30.37 ? 250 ASP A CG 1 ATOM 1919 O OD1 . ASP A 1 250 ? 7.160 99.652 25.498 1.00 29.70 ? 250 ASP A OD1 1 ATOM 1920 O OD2 . ASP A 1 250 ? 6.915 99.151 27.676 1.00 34.14 ? 250 ASP A OD2 1 ATOM 1921 N N . TYR A 1 251 ? 6.635 97.352 22.949 1.00 23.37 ? 251 TYR A N 1 ATOM 1922 C CA . TYR A 1 251 ? 5.318 97.262 22.329 1.00 22.70 ? 251 TYR A CA 1 ATOM 1923 C C . TYR A 1 251 ? 5.053 95.949 21.605 1.00 22.03 ? 251 TYR A C 1 ATOM 1924 O O . TYR A 1 251 ? 3.933 95.453 21.612 1.00 21.22 ? 251 TYR A O 1 ATOM 1925 C CB . TYR A 1 251 ? 5.136 98.409 21.320 1.00 23.35 ? 251 TYR A CB 1 ATOM 1926 C CG . TYR A 1 251 ? 3.728 98.522 20.775 1.00 22.00 ? 251 TYR A CG 1 ATOM 1927 C CD1 . TYR A 1 251 ? 2.715 99.022 21.560 1.00 24.99 ? 251 TYR A CD1 1 ATOM 1928 C CD2 . TYR A 1 251 ? 3.410 98.113 19.479 1.00 21.99 ? 251 TYR A CD2 1 ATOM 1929 C CE1 . TYR A 1 251 ? 1.399 99.130 21.072 1.00 23.20 ? 251 TYR A CE1 1 ATOM 1930 C CE2 . TYR A 1 251 ? 2.112 98.215 18.994 1.00 22.36 ? 251 TYR A CE2 1 ATOM 1931 C CZ . TYR A 1 251 ? 1.120 98.758 19.794 1.00 23.01 ? 251 TYR A CZ 1 ATOM 1932 O OH . TYR A 1 251 ? -0.185 98.871 19.350 1.00 23.69 ? 251 TYR A OH 1 ATOM 1933 N N . TYR A 1 252 ? 6.087 95.403 20.954 1.00 21.98 ? 252 TYR A N 1 ATOM 1934 C CA . TYR A 1 252 ? 5.896 94.264 20.033 1.00 21.06 ? 252 TYR A CA 1 ATOM 1935 C C . TYR A 1 252 ? 7.117 93.347 20.120 1.00 20.39 ? 252 TYR A C 1 ATOM 1936 O O . TYR A 1 252 ? 8.243 93.781 19.913 1.00 20.01 ? 252 TYR A O 1 ATOM 1937 C CB . TYR A 1 252 ? 5.734 94.811 18.624 1.00 20.80 ? 252 TYR A CB 1 ATOM 1938 C CG . TYR A 1 252 ? 5.554 93.792 17.509 1.00 20.67 ? 252 TYR A CG 1 ATOM 1939 C CD1 . TYR A 1 252 ? 6.650 93.180 16.942 1.00 20.68 ? 252 TYR A CD1 1 ATOM 1940 C CD2 . TYR A 1 252 ? 4.312 93.463 17.020 1.00 19.71 ? 252 TYR A CD2 1 ATOM 1941 C CE1 . TYR A 1 252 ? 6.523 92.256 15.931 1.00 19.08 ? 252 TYR A CE1 1 ATOM 1942 C CE2 . TYR A 1 252 ? 4.175 92.557 15.983 1.00 20.68 ? 252 TYR A CE2 1 ATOM 1943 C CZ . TYR A 1 252 ? 5.308 91.932 15.464 1.00 19.23 ? 252 TYR A CZ 1 ATOM 1944 O OH . TYR A 1 252 ? 5.256 91.015 14.437 1.00 19.90 ? 252 TYR A OH 1 ATOM 1945 N N . GLY A 1 253 ? 6.903 92.071 20.419 1.00 20.12 ? 253 GLY A N 1 ATOM 1946 C CA . GLY A 1 253 ? 8.046 91.171 20.554 1.00 20.72 ? 253 GLY A CA 1 ATOM 1947 C C . GLY A 1 253 ? 7.680 89.836 21.108 1.00 20.77 ? 253 GLY A C 1 ATOM 1948 O O . GLY A 1 253 ? 6.493 89.554 21.367 1.00 20.24 ? 253 GLY A O 1 ATOM 1949 N N . ARG A 1 254 ? 8.705 88.987 21.221 1.00 21.59 ? 254 ARG A N 1 ATOM 1950 C CA . ARG A 1 254 ? 8.534 87.622 21.708 1.00 22.85 ? 254 ARG A CA 1 ATOM 1951 C C . ARG A 1 254 ? 8.517 87.623 23.222 1.00 23.73 ? 254 ARG A C 1 ATOM 1952 O O . ARG A 1 254 ? 9.543 87.870 23.850 1.00 24.81 ? 254 ARG A O 1 ATOM 1953 C CB . ARG A 1 254 ? 9.668 86.728 21.181 1.00 22.19 ? 254 ARG A CB 1 ATOM 1954 C CG . ARG A 1 254 ? 9.656 86.535 19.676 1.00 20.65 ? 254 ARG A CG 1 ATOM 1955 C CD . ARG A 1 254 ? 10.896 85.757 19.181 1.00 22.21 ? 254 ARG A CD 1 ATOM 1956 N NE . ARG A 1 254 ? 10.707 84.352 19.476 1.00 22.97 ? 254 ARG A NE 1 ATOM 1957 C CZ . ARG A 1 254 ? 9.964 83.520 18.751 1.00 24.59 ? 254 ARG A CZ 1 ATOM 1958 N NH1 . ARG A 1 254 ? 9.368 83.908 17.616 1.00 22.82 ? 254 ARG A NH1 1 ATOM 1959 N NH2 . ARG A 1 254 ? 9.854 82.275 19.142 1.00 23.71 ? 254 ARG A NH2 1 ATOM 1960 N N . GLY A 1 255 ? 7.349 87.370 23.796 1.00 25.75 ? 255 GLY A N 1 ATOM 1961 C CA . GLY A 1 255 ? 7.177 87.392 25.253 1.00 27.62 ? 255 GLY A CA 1 ATOM 1962 C C . GLY A 1 255 ? 6.045 88.253 25.828 1.00 29.00 ? 255 GLY A C 1 ATOM 1963 O O . GLY A 1 255 ? 5.565 89.203 25.186 1.00 28.80 ? 255 GLY A O 1 ATOM 1964 N N . GLU A 1 256 ? 5.684 87.938 27.080 1.00 30.57 ? 256 GLU A N 1 ATOM 1965 C CA . GLU A 1 256 ? 4.597 88.589 27.836 1.00 31.45 ? 256 GLU A CA 1 ATOM 1966 C C . GLU A 1 256 ? 4.971 90.012 28.269 1.00 31.75 ? 256 GLU A C 1 ATOM 1967 O O . GLU A 1 256 ? 4.139 90.809 28.670 1.00 32.54 ? 256 GLU A O 1 ATOM 1968 C CB . GLU A 1 256 ? 4.273 87.749 29.073 1.00 32.02 ? 256 GLU A CB 1 ATOM 1969 C CG . GLU A 1 256 ? 3.179 86.701 28.839 1.00 34.33 ? 256 GLU A CG 1 ATOM 1970 C CD . GLU A 1 256 ? 2.828 85.916 30.104 1.00 36.90 ? 256 GLU A CD 1 ATOM 1971 O OE1 . GLU A 1 256 ? 3.261 86.317 31.224 1.00 43.74 ? 256 GLU A OE1 1 ATOM 1972 O OE2 . GLU A 1 256 ? 2.112 84.868 29.999 1.00 46.98 ? 256 GLU A OE2 1 ATOM 1973 N N . GLU A 1 257 ? 6.250 90.320 28.179 1.00 31.65 ? 257 GLU A N 1 ATOM 1974 C CA . GLU A 1 257 ? 6.757 91.643 28.473 1.00 31.14 ? 257 GLU A CA 1 ATOM 1975 C C . GLU A 1 257 ? 6.444 92.692 27.359 1.00 30.53 ? 257 GLU A C 1 ATOM 1976 O O . GLU A 1 257 ? 6.784 93.865 27.495 1.00 29.92 ? 257 GLU A O 1 ATOM 1977 C CB . GLU A 1 257 ? 8.269 91.545 28.713 1.00 31.84 ? 257 GLU A CB 1 ATOM 1978 C CG . GLU A 1 257 ? 9.094 91.074 27.519 1.00 35.14 ? 257 GLU A CG 1 ATOM 1979 C CD . GLU A 1 257 ? 9.458 89.578 27.531 1.00 40.09 ? 257 GLU A CD 1 ATOM 1980 O OE1 . GLU A 1 257 ? 8.635 88.729 27.965 1.00 42.36 ? 257 GLU A OE1 1 ATOM 1981 O OE2 . GLU A 1 257 ? 10.590 89.245 27.067 1.00 45.01 ? 257 GLU A OE2 1 ATOM 1982 N N . PHE A 1 258 ? 5.801 92.252 26.275 1.00 29.30 ? 258 PHE A N 1 ATOM 1983 C CA . PHE A 1 258 ? 5.518 93.080 25.098 1.00 28.19 ? 258 PHE A CA 1 ATOM 1984 C C . PHE A 1 258 ? 4.000 93.247 25.021 1.00 27.39 ? 258 PHE A C 1 ATOM 1985 O O . PHE A 1 258 ? 3.270 92.292 25.286 1.00 28.10 ? 258 PHE A O 1 ATOM 1986 C CB . PHE A 1 258 ? 6.068 92.369 23.828 1.00 26.12 ? 258 PHE A CB 1 ATOM 1987 C CG . PHE A 1 258 ? 7.586 92.320 23.767 1.00 25.07 ? 258 PHE A CG 1 ATOM 1988 C CD1 . PHE A 1 258 ? 8.304 93.410 23.338 1.00 21.40 ? 258 PHE A CD1 1 ATOM 1989 C CD2 . PHE A 1 258 ? 8.279 91.175 24.132 1.00 23.77 ? 258 PHE A CD2 1 ATOM 1990 C CE1 . PHE A 1 258 ? 9.675 93.417 23.294 1.00 24.16 ? 258 PHE A CE1 1 ATOM 1991 C CE2 . PHE A 1 258 ? 9.642 91.125 24.068 1.00 24.04 ? 258 PHE A CE2 1 ATOM 1992 C CZ . PHE A 1 258 ? 10.374 92.265 23.656 1.00 27.62 ? 258 PHE A CZ 1 ATOM 1993 N N . LYS A 1 259 ? 3.509 94.415 24.608 1.00 27.34 ? 259 LYS A N 1 ATOM 1994 C CA . LYS A 1 259 ? 2.043 94.618 24.525 1.00 27.09 ? 259 LYS A CA 1 ATOM 1995 C C . LYS A 1 259 ? 1.417 93.702 23.463 1.00 26.50 ? 259 LYS A C 1 ATOM 1996 O O . LYS A 1 259 ? 0.359 93.087 23.674 1.00 25.32 ? 259 LYS A O 1 ATOM 1997 C CB . LYS A 1 259 ? 1.714 96.086 24.259 1.00 29.02 ? 259 LYS A CB 1 ATOM 1998 C CG . LYS A 1 259 ? 2.587 97.069 25.077 1.00 30.99 ? 259 LYS A CG 1 ATOM 1999 C CD . LYS A 1 259 ? 1.807 98.038 25.925 1.00 35.91 ? 259 LYS A CD 1 ATOM 2000 C CE . LYS A 1 259 ? 2.568 98.364 27.271 1.00 36.74 ? 259 LYS A CE 1 ATOM 2001 N NZ . LYS A 1 259 ? 3.994 98.796 27.161 1.00 39.93 ? 259 LYS A NZ 1 ATOM 2002 N N . VAL A 1 260 ? 2.101 93.593 22.315 1.00 25.27 ? 260 VAL A N 1 ATOM 2003 C CA . VAL A 1 260 ? 1.794 92.547 21.327 1.00 23.78 ? 260 VAL A CA 1 ATOM 2004 C C . VAL A 1 260 ? 2.847 91.396 21.470 1.00 21.63 ? 260 VAL A C 1 ATOM 2005 O O . VAL A 1 260 ? 4.030 91.580 21.250 1.00 18.12 ? 260 VAL A O 1 ATOM 2006 C CB . VAL A 1 260 ? 1.792 93.078 19.878 1.00 23.12 ? 260 VAL A CB 1 ATOM 2007 C CG1 . VAL A 1 260 ? 1.187 92.099 18.990 1.00 23.52 ? 260 VAL A CG1 1 ATOM 2008 C CG2 . VAL A 1 260 ? 0.999 94.350 19.763 1.00 25.88 ? 260 VAL A CG2 1 ATOM 2009 N N . ASN A 1 261 ? 2.368 90.207 21.809 1.00 21.54 ? 261 ASN A N 1 ATOM 2010 C CA . ASN A 1 261 ? 3.233 89.082 22.137 1.00 22.24 ? 261 ASN A CA 1 ATOM 2011 C C . ASN A 1 261 ? 3.205 88.102 20.973 1.00 21.57 ? 261 ASN A C 1 ATOM 2012 O O . ASN A 1 261 ? 2.251 87.347 20.815 1.00 22.03 ? 261 ASN A O 1 ATOM 2013 C CB . ASN A 1 261 ? 2.763 88.391 23.434 1.00 22.31 ? 261 ASN A CB 1 ATOM 2014 C CG . ASN A 1 261 ? 3.485 87.022 23.705 1.00 23.03 ? 261 ASN A CG 1 ATOM 2015 O OD1 . ASN A 1 261 ? 4.621 86.799 23.253 1.00 24.21 ? 261 ASN A OD1 1 ATOM 2016 N ND2 . ASN A 1 261 ? 2.810 86.132 24.433 1.00 23.95 ? 261 ASN A ND2 1 ATOM 2017 N N . THR A 1 262 ? 4.269 88.145 20.182 1.00 21.76 ? 262 THR A N 1 ATOM 2018 C CA . THR A 1 262 ? 4.415 87.388 18.930 1.00 21.88 ? 262 THR A CA 1 ATOM 2019 C C . THR A 1 262 ? 4.704 85.898 19.068 1.00 22.82 ? 262 THR A C 1 ATOM 2020 O O . THR A 1 262 ? 4.919 85.229 18.062 1.00 22.77 ? 262 THR A O 1 ATOM 2021 C CB . THR A 1 262 ? 5.534 87.982 18.103 1.00 22.24 ? 262 THR A CB 1 ATOM 2022 O OG1 . THR A 1 262 ? 6.776 87.888 18.797 1.00 19.74 ? 262 THR A OG1 1 ATOM 2023 C CG2 . THR A 1 262 ? 5.330 89.530 17.859 1.00 22.39 ? 262 THR A CG2 1 ATOM 2024 N N . LEU A 1 263 ? 4.723 85.390 20.301 1.00 22.61 ? 263 LEU A N 1 ATOM 2025 C CA . LEU A 1 263 ? 4.636 83.945 20.546 1.00 23.26 ? 263 LEU A CA 1 ATOM 2026 C C . LEU A 1 263 ? 3.203 83.443 20.356 1.00 23.93 ? 263 LEU A C 1 ATOM 2027 O O . LEU A 1 263 ? 2.993 82.238 20.193 1.00 24.15 ? 263 LEU A O 1 ATOM 2028 C CB . LEU A 1 263 ? 5.154 83.615 21.935 1.00 22.63 ? 263 LEU A CB 1 ATOM 2029 C CG . LEU A 1 263 ? 6.577 84.085 22.189 1.00 25.38 ? 263 LEU A CG 1 ATOM 2030 C CD1 . LEU A 1 263 ? 6.956 83.873 23.652 1.00 29.64 ? 263 LEU A CD1 1 ATOM 2031 C CD2 . LEU A 1 263 ? 7.535 83.357 21.284 1.00 25.13 ? 263 LEU A CD2 1 ATOM 2032 N N . LYS A 1 264 ? 2.221 84.353 20.358 1.00 23.98 ? 264 LYS A N 1 ATOM 2033 C CA . LYS A 1 264 ? 0.810 83.991 20.108 1.00 25.14 ? 264 LYS A CA 1 ATOM 2034 C C . LYS A 1 264 ? 0.195 84.703 18.873 1.00 23.74 ? 264 LYS A C 1 ATOM 2035 O O . LYS A 1 264 ? 0.659 85.794 18.478 1.00 22.64 ? 264 LYS A O 1 ATOM 2036 C CB . LYS A 1 264 ? -0.033 84.332 21.366 1.00 25.68 ? 264 LYS A CB 1 ATOM 2037 C CG . LYS A 1 264 ? 0.572 83.759 22.624 1.00 30.13 ? 264 LYS A CG 1 ATOM 2038 C CD . LYS A 1 264 ? -0.445 83.452 23.688 1.00 31.59 ? 264 LYS A CD 1 ATOM 2039 C CE . LYS A 1 264 ? -1.071 84.707 24.343 1.00 37.62 ? 264 LYS A CE 1 ATOM 2040 N NZ . LYS A 1 264 ? -2.323 84.288 25.168 1.00 38.09 ? 264 LYS A NZ 1 ATOM 2041 N N . PRO A 1 265 ? -0.825 84.111 18.251 1.00 23.16 ? 265 PRO A N 1 ATOM 2042 C CA . PRO A 1 265 ? -1.512 84.806 17.161 1.00 22.36 ? 265 PRO A CA 1 ATOM 2043 C C . PRO A 1 265 ? -2.024 86.173 17.630 1.00 21.40 ? 265 PRO A C 1 ATOM 2044 O O . PRO A 1 265 ? -2.138 86.406 18.831 1.00 18.96 ? 265 PRO A O 1 ATOM 2045 C CB . PRO A 1 265 ? -2.673 83.875 16.818 1.00 23.13 ? 265 PRO A CB 1 ATOM 2046 C CG . PRO A 1 265 ? -2.166 82.477 17.233 1.00 23.43 ? 265 PRO A CG 1 ATOM 2047 C CD . PRO A 1 265 ? -1.393 82.770 18.493 1.00 23.38 ? 265 PRO A CD 1 ATOM 2048 N N . PHE A 1 266 ? -2.239 87.079 16.682 1.00 20.79 ? 266 PHE A N 1 ATOM 2049 C CA . PHE A 1 266 ? -2.895 88.353 16.958 1.00 20.85 ? 266 PHE A CA 1 ATOM 2050 C C . PHE A 1 266 ? -3.562 88.919 15.705 1.00 21.57 ? 266 PHE A C 1 ATOM 2051 O O . PHE A 1 266 ? -3.390 88.357 14.618 1.00 22.13 ? 266 PHE A O 1 ATOM 2052 C CB . PHE A 1 266 ? -1.903 89.345 17.527 1.00 19.79 ? 266 PHE A CB 1 ATOM 2053 C CG . PHE A 1 266 ? -0.654 89.498 16.742 1.00 18.88 ? 266 PHE A CG 1 ATOM 2054 C CD1 . PHE A 1 266 ? 0.450 88.682 17.005 1.00 22.46 ? 266 PHE A CD1 1 ATOM 2055 C CD2 . PHE A 1 266 ? -0.545 90.481 15.759 1.00 19.66 ? 266 PHE A CD2 1 ATOM 2056 C CE1 . PHE A 1 266 ? 1.632 88.825 16.296 1.00 19.13 ? 266 PHE A CE1 1 ATOM 2057 C CE2 . PHE A 1 266 ? 0.596 90.670 15.084 1.00 20.15 ? 266 PHE A CE2 1 ATOM 2058 C CZ . PHE A 1 266 ? 1.719 89.827 15.349 1.00 21.31 ? 266 PHE A CZ 1 ATOM 2059 N N . THR A 1 267 ? -4.302 90.028 15.863 1.00 21.45 ? 267 THR A N 1 ATOM 2060 C CA . THR A 1 267 ? -5.059 90.658 14.786 1.00 21.21 ? 267 THR A CA 1 ATOM 2061 C C . THR A 1 267 ? -4.448 92.023 14.517 1.00 21.26 ? 267 THR A C 1 ATOM 2062 O O . THR A 1 267 ? -4.065 92.719 15.432 1.00 20.34 ? 267 THR A O 1 ATOM 2063 C CB . THR A 1 267 ? -6.485 90.791 15.215 1.00 21.39 ? 267 THR A CB 1 ATOM 2064 O OG1 . THR A 1 267 ? -7.001 89.479 15.417 1.00 21.58 ? 267 THR A OG1 1 ATOM 2065 C CG2 . THR A 1 267 ? -7.374 91.393 14.098 1.00 21.24 ? 267 THR A CG2 1 ATOM 2066 N N . VAL A 1 268 ? -4.280 92.354 13.249 1.00 21.11 ? 268 VAL A N 1 ATOM 2067 C CA . VAL A 1 268 ? -3.583 93.584 12.840 1.00 21.61 ? 268 VAL A CA 1 ATOM 2068 C C . VAL A 1 268 ? -4.622 94.430 12.129 1.00 21.26 ? 268 VAL A C 1 ATOM 2069 O O . VAL A 1 268 ? -5.141 93.994 11.129 1.00 20.60 ? 268 VAL A O 1 ATOM 2070 C CB . VAL A 1 268 ? -2.463 93.295 11.853 1.00 21.78 ? 268 VAL A CB 1 ATOM 2071 C CG1 . VAL A 1 268 ? -1.754 94.548 11.530 1.00 23.30 ? 268 VAL A CG1 1 ATOM 2072 C CG2 . VAL A 1 268 ? -1.494 92.243 12.398 1.00 23.41 ? 268 VAL A CG2 1 ATOM 2073 N N . VAL A 1 269 ? -4.964 95.594 12.681 1.00 21.53 ? 269 VAL A N 1 ATOM 2074 C CA . VAL A 1 269 ? -5.944 96.536 12.041 1.00 20.85 ? 269 VAL A CA 1 ATOM 2075 C C . VAL A 1 269 ? -5.201 97.749 11.464 1.00 21.52 ? 269 VAL A C 1 ATOM 2076 O O . VAL A 1 269 ? -4.398 98.411 12.143 1.00 21.29 ? 269 VAL A O 1 ATOM 2077 C CB . VAL A 1 269 ? -6.982 97.094 13.065 1.00 20.91 ? 269 VAL A CB 1 ATOM 2078 C CG1 . VAL A 1 269 ? -8.051 97.978 12.388 1.00 20.35 ? 269 VAL A CG1 1 ATOM 2079 C CG2 . VAL A 1 269 ? -7.678 95.970 13.821 1.00 19.54 ? 269 VAL A CG2 1 ATOM 2080 N N . THR A 1 270 ? -5.483 98.071 10.212 1.00 21.07 ? 270 THR A N 1 ATOM 2081 C CA . THR A 1 270 ? -4.918 99.240 9.614 1.00 20.80 ? 270 THR A CA 1 ATOM 2082 C C . THR A 1 270 ? -6.083 100.093 9.077 1.00 21.21 ? 270 THR A C 1 ATOM 2083 O O . THR A 1 270 ? -6.837 99.629 8.254 1.00 20.87 ? 270 THR A O 1 ATOM 2084 C CB . THR A 1 270 ? -3.957 98.821 8.540 1.00 21.32 ? 270 THR A CB 1 ATOM 2085 O OG1 . THR A 1 270 ? -2.919 98.023 9.107 1.00 19.98 ? 270 THR A OG1 1 ATOM 2086 C CG2 . THR A 1 270 ? -3.183 99.992 7.992 1.00 21.16 ? 270 THR A CG2 1 ATOM 2087 N N . GLN A 1 271 ? -6.219 101.330 9.584 1.00 21.28 ? 271 GLN A N 1 ATOM 2088 C CA . GLN A 1 271 ? -7.282 102.281 9.169 1.00 21.37 ? 271 GLN A CA 1 ATOM 2089 C C . GLN A 1 271 ? -6.665 103.382 8.335 1.00 20.82 ? 271 GLN A C 1 ATOM 2090 O O . GLN A 1 271 ? -5.606 103.904 8.677 1.00 21.85 ? 271 GLN A O 1 ATOM 2091 C CB . GLN A 1 271 ? -7.997 102.894 10.363 1.00 21.84 ? 271 GLN A CB 1 ATOM 2092 C CG . GLN A 1 271 ? -8.726 101.895 11.277 1.00 21.23 ? 271 GLN A CG 1 ATOM 2093 C CD . GLN A 1 271 ? -9.339 102.565 12.483 1.00 20.88 ? 271 GLN A CD 1 ATOM 2094 O OE1 . GLN A 1 271 ? -8.735 103.485 13.023 1.00 26.26 ? 271 GLN A OE1 1 ATOM 2095 N NE2 . GLN A 1 271 ? -10.513 102.099 12.928 1.00 19.25 ? 271 GLN A NE2 1 ATOM 2096 N N . PHE A 1 272 ? -7.333 103.692 7.233 1.00 19.91 ? 272 PHE A N 1 ATOM 2097 C CA . PHE A 1 272 ? -6.899 104.680 6.261 1.00 21.85 ? 272 PHE A CA 1 ATOM 2098 C C . PHE A 1 272 ? -7.888 105.852 6.377 1.00 22.85 ? 272 PHE A C 1 ATOM 2099 O O . PHE A 1 272 ? -8.962 105.816 5.780 1.00 22.37 ? 272 PHE A O 1 ATOM 2100 C CB . PHE A 1 272 ? -6.936 104.045 4.865 1.00 21.01 ? 272 PHE A CB 1 ATOM 2101 C CG . PHE A 1 272 ? -5.976 102.917 4.730 1.00 18.69 ? 272 PHE A CG 1 ATOM 2102 C CD1 . PHE A 1 272 ? -4.641 103.170 4.529 1.00 22.48 ? 272 PHE A CD1 1 ATOM 2103 C CD2 . PHE A 1 272 ? -6.380 101.626 4.895 1.00 18.53 ? 272 PHE A CD2 1 ATOM 2104 C CE1 . PHE A 1 272 ? -3.734 102.153 4.444 1.00 20.91 ? 272 PHE A CE1 1 ATOM 2105 C CE2 . PHE A 1 272 ? -5.452 100.599 4.848 1.00 20.68 ? 272 PHE A CE2 1 ATOM 2106 C CZ . PHE A 1 272 ? -4.141 100.883 4.624 1.00 19.56 ? 272 PHE A CZ 1 ATOM 2107 N N . LEU A 1 273 ? -7.544 106.812 7.235 1.00 23.50 ? 273 LEU A N 1 ATOM 2108 C CA . LEU A 1 273 ? -8.486 107.873 7.661 1.00 23.98 ? 273 LEU A CA 1 ATOM 2109 C C . LEU A 1 273 ? -8.414 109.043 6.720 1.00 23.78 ? 273 LEU A C 1 ATOM 2110 O O . LEU A 1 273 ? -7.351 109.533 6.414 1.00 23.04 ? 273 LEU A O 1 ATOM 2111 C CB . LEU A 1 273 ? -8.119 108.330 9.067 1.00 24.11 ? 273 LEU A CB 1 ATOM 2112 C CG . LEU A 1 273 ? -8.155 107.140 10.008 1.00 24.41 ? 273 LEU A CG 1 ATOM 2113 C CD1 . LEU A 1 273 ? -7.691 107.510 11.337 1.00 27.12 ? 273 LEU A CD1 1 ATOM 2114 C CD2 . LEU A 1 273 ? -9.607 106.581 10.100 1.00 25.59 ? 273 LEU A CD2 1 ATOM 2115 N N . ALA A 1 274 ? -9.546 109.467 6.216 1.00 25.53 ? 274 ALA A N 1 ATOM 2116 C CA . ALA A 1 274 ? -9.551 110.490 5.174 1.00 27.05 ? 274 ALA A CA 1 ATOM 2117 C C . ALA A 1 274 ? -10.120 111.793 5.750 1.00 28.26 ? 274 ALA A C 1 ATOM 2118 O O . ALA A 1 274 ? -10.888 111.759 6.691 1.00 27.24 ? 274 ALA A O 1 ATOM 2119 C CB . ALA A 1 274 ? -10.364 110.015 4.008 1.00 27.35 ? 274 ALA A CB 1 ATOM 2120 N N . ASN A 1 275 ? -9.709 112.931 5.196 1.00 30.04 ? 275 ASN A N 1 ATOM 2121 C CA . ASN A 1 275 ? -10.216 114.224 5.649 1.00 30.97 ? 275 ASN A CA 1 ATOM 2122 C C . ASN A 1 275 ? -11.611 114.514 5.083 1.00 32.56 ? 275 ASN A C 1 ATOM 2123 O O . ASN A 1 275 ? -12.192 113.687 4.401 1.00 31.41 ? 275 ASN A O 1 ATOM 2124 C CB . ASN A 1 275 ? -9.202 115.361 5.367 1.00 31.21 ? 275 ASN A CB 1 ATOM 2125 C CG . ASN A 1 275 ? -8.946 115.612 3.891 1.00 30.80 ? 275 ASN A CG 1 ATOM 2126 O OD1 . ASN A 1 275 ? -9.769 115.291 3.051 1.00 29.70 ? 275 ASN A OD1 1 ATOM 2127 N ND2 . ASN A 1 275 ? -7.789 116.220 3.580 1.00 28.61 ? 275 ASN A ND2 1 ATOM 2128 N N . ARG A 1 276 ? -12.134 115.704 5.383 1.00 35.00 ? 276 ARG A N 1 ATOM 2129 C CA . ARG A 1 276 ? -13.468 116.141 4.917 1.00 36.42 ? 276 ARG A CA 1 ATOM 2130 C C . ARG A 1 276 ? -13.595 116.268 3.385 1.00 36.64 ? 276 ARG A C 1 ATOM 2131 O O . ARG A 1 276 ? -14.692 116.212 2.848 1.00 38.46 ? 276 ARG A O 1 ATOM 2132 C CB . ARG A 1 276 ? -13.878 117.456 5.614 1.00 36.95 ? 276 ARG A CB 1 ATOM 2133 C CG . ARG A 1 276 ? -14.393 117.271 7.052 1.00 38.53 ? 276 ARG A CG 1 ATOM 2134 C CD . ARG A 1 276 ? -14.787 118.592 7.756 1.00 40.92 ? 276 ARG A CD 1 ATOM 2135 N NE . ARG A 1 276 ? -13.790 119.653 7.475 1.00 44.70 ? 276 ARG A NE 1 ATOM 2136 C CZ . ARG A 1 276 ? -14.039 120.846 6.902 1.00 45.16 ? 276 ARG A CZ 1 ATOM 2137 N NH1 . ARG A 1 276 ? -15.284 121.207 6.552 1.00 46.16 ? 276 ARG A NH1 1 ATOM 2138 N NH2 . ARG A 1 276 ? -13.035 121.710 6.697 1.00 44.91 ? 276 ARG A NH2 1 ATOM 2139 N N . ARG A 1 277 ? -12.484 116.408 2.679 1.00 36.89 ? 277 ARG A N 1 ATOM 2140 C CA . ARG A 1 277 ? -12.511 116.361 1.213 1.00 36.70 ? 277 ARG A CA 1 ATOM 2141 C C . ARG A 1 277 ? -12.280 114.949 0.638 1.00 35.05 ? 277 ARG A C 1 ATOM 2142 O O . ARG A 1 277 ? -12.186 114.773 -0.588 1.00 34.26 ? 277 ARG A O 1 ATOM 2143 C CB . ARG A 1 277 ? -11.504 117.363 0.667 1.00 36.89 ? 277 ARG A CB 1 ATOM 2144 C CG . ARG A 1 277 ? -11.829 118.778 1.143 1.00 40.21 ? 277 ARG A CG 1 ATOM 2145 C CD . ARG A 1 277 ? -10.767 119.812 0.779 1.00 42.96 ? 277 ARG A CD 1 ATOM 2146 N NE . ARG A 1 277 ? -9.454 119.628 1.441 1.00 47.87 ? 277 ARG A NE 1 ATOM 2147 C CZ . ARG A 1 277 ? -9.115 120.069 2.672 1.00 49.24 ? 277 ARG A CZ 1 ATOM 2148 N NH1 . ARG A 1 277 ? -10.001 120.714 3.449 1.00 50.18 ? 277 ARG A NH1 1 ATOM 2149 N NH2 . ARG A 1 277 ? -7.870 119.862 3.126 1.00 48.64 ? 277 ARG A NH2 1 ATOM 2150 N N . GLY A 1 278 ? -12.205 113.949 1.517 1.00 33.26 ? 278 GLY A N 1 ATOM 2151 C CA . GLY A 1 278 ? -12.049 112.553 1.090 1.00 32.00 ? 278 GLY A CA 1 ATOM 2152 C C . GLY A 1 278 ? -10.621 112.155 0.769 1.00 30.69 ? 278 GLY A C 1 ATOM 2153 O O . GLY A 1 278 ? -10.397 111.110 0.187 1.00 30.23 ? 278 GLY A O 1 ATOM 2154 N N . LYS A 1 279 ? -9.658 112.981 1.142 1.00 28.90 ? 279 LYS A N 1 ATOM 2155 C CA . LYS A 1 279 ? -8.249 112.660 0.950 1.00 28.79 ? 279 LYS A CA 1 ATOM 2156 C C . LYS A 1 279 ? -7.675 111.985 2.186 1.00 27.59 ? 279 LYS A C 1 ATOM 2157 O O . LYS A 1 279 ? -8.013 112.332 3.321 1.00 28.13 ? 279 LYS A O 1 ATOM 2158 C CB . LYS A 1 279 ? -7.410 113.899 0.652 1.00 29.67 ? 279 LYS A CB 1 ATOM 2159 C CG . LYS A 1 279 ? -7.925 114.810 -0.465 1.00 30.63 ? 279 LYS A CG 1 ATOM 2160 C CD . LYS A 1 279 ? -8.003 114.133 -1.795 1.00 30.46 ? 279 LYS A CD 1 ATOM 2161 C CE . LYS A 1 279 ? -8.665 115.044 -2.808 1.00 32.40 ? 279 LYS A CE 1 ATOM 2162 N NZ . LYS A 1 279 ? -8.523 114.424 -4.142 1.00 35.23 ? 279 LYS A NZ 1 ATOM 2163 N N . LEU A 1 280 ? -6.820 111.002 1.944 1.00 25.84 ? 280 LEU A N 1 ATOM 2164 C CA . LEU A 1 280 ? -6.084 110.316 2.994 1.00 25.57 ? 280 LEU A CA 1 ATOM 2165 C C . LEU A 1 280 ? -5.279 111.311 3.832 1.00 25.03 ? 280 LEU A C 1 ATOM 2166 O O . LEU A 1 280 ? -4.477 112.031 3.294 1.00 23.24 ? 280 LEU A O 1 ATOM 2167 C CB . LEU A 1 280 ? -5.117 109.310 2.367 1.00 24.28 ? 280 LEU A CB 1 ATOM 2168 C CG . LEU A 1 280 ? -4.416 108.383 3.360 1.00 24.76 ? 280 LEU A CG 1 ATOM 2169 C CD1 . LEU A 1 280 ? -5.407 107.537 4.137 1.00 24.05 ? 280 LEU A CD1 1 ATOM 2170 C CD2 . LEU A 1 280 ? -3.498 107.506 2.604 1.00 24.70 ? 280 LEU A CD2 1 ATOM 2171 N N . GLU A 1 281 ? -5.484 111.277 5.148 1.00 26.54 ? 281 GLU A N 1 ATOM 2172 C CA . GLU A 1 281 ? -4.855 112.151 6.136 1.00 27.76 ? 281 GLU A CA 1 ATOM 2173 C C . GLU A 1 281 ? -3.856 111.400 7.022 1.00 27.73 ? 281 GLU A C 1 ATOM 2174 O O . GLU A 1 281 ? -2.740 111.885 7.291 1.00 27.27 ? 281 GLU A O 1 ATOM 2175 C CB . GLU A 1 281 ? -5.959 112.664 7.073 1.00 29.35 ? 281 GLU A CB 1 ATOM 2176 C CG . GLU A 1 281 ? -5.866 114.128 7.502 1.00 31.63 ? 281 GLU A CG 1 ATOM 2177 C CD . GLU A 1 281 ? -7.006 114.490 8.449 1.00 32.88 ? 281 GLU A CD 1 ATOM 2178 O OE1 . GLU A 1 281 ? -7.238 113.727 9.437 1.00 38.44 ? 281 GLU A OE1 1 ATOM 2179 O OE2 . GLU A 1 281 ? -7.717 115.506 8.187 1.00 42.38 ? 281 GLU A OE2 1 ATOM 2180 N N . LYS A 1 282 ? -4.295 110.237 7.505 1.00 26.70 ? 282 LYS A N 1 ATOM 2181 C CA . LYS A 1 282 ? -3.582 109.485 8.550 1.00 26.68 ? 282 LYS A CA 1 ATOM 2182 C C . LYS A 1 282 ? -3.732 107.963 8.319 1.00 25.54 ? 282 LYS A C 1 ATOM 2183 O O . LYS A 1 282 ? -4.722 107.497 7.789 1.00 23.52 ? 282 LYS A O 1 ATOM 2184 C CB . LYS A 1 282 ? -4.136 109.841 9.942 1.00 26.44 ? 282 LYS A CB 1 ATOM 2185 C CG . LYS A 1 282 ? -3.839 111.295 10.448 1.00 28.03 ? 282 LYS A CG 1 ATOM 2186 C CD . LYS A 1 282 ? -4.728 111.686 11.663 1.00 28.15 ? 282 LYS A CD 1 ATOM 2187 C CE . LYS A 1 282 ? -4.447 113.147 12.187 1.00 30.59 ? 282 LYS A CE 1 ATOM 2188 N NZ . LYS A 1 282 ? -3.096 113.723 11.819 1.00 31.37 ? 282 LYS A NZ 1 ATOM 2189 N N . ILE A 1 283 ? -2.716 107.219 8.734 1.00 25.57 ? 283 ILE A N 1 ATOM 2190 C CA . ILE A 1 283 ? -2.745 105.771 8.712 1.00 25.03 ? 283 ILE A CA 1 ATOM 2191 C C . ILE A 1 283 ? -2.540 105.336 10.152 1.00 23.89 ? 283 ILE A C 1 ATOM 2192 O O . ILE A 1 283 ? -1.532 105.693 10.774 1.00 24.47 ? 283 ILE A O 1 ATOM 2193 C CB . ILE A 1 283 ? -1.666 105.205 7.767 1.00 25.43 ? 283 ILE A CB 1 ATOM 2194 C CG1 . ILE A 1 283 ? -1.775 105.827 6.378 1.00 25.16 ? 283 ILE A CG1 1 ATOM 2195 C CG2 . ILE A 1 283 ? -1.802 103.678 7.653 1.00 26.06 ? 283 ILE A CG2 1 ATOM 2196 C CD1 . ILE A 1 283 ? -0.829 105.231 5.375 1.00 25.74 ? 283 ILE A CD1 1 ATOM 2197 N N . HIS A 1 284 ? -3.519 104.593 10.657 1.00 23.01 ? 284 HIS A N 1 ATOM 2198 C CA . HIS A 1 284 ? -3.611 104.175 12.038 1.00 22.68 ? 284 HIS A CA 1 ATOM 2199 C C . HIS A 1 284 ? -3.522 102.613 12.167 1.00 22.27 ? 284 HIS A C 1 ATOM 2200 O O . HIS A 1 284 ? -4.360 101.861 11.666 1.00 22.17 ? 284 HIS A O 1 ATOM 2201 C CB . HIS A 1 284 ? -4.939 104.656 12.576 1.00 22.45 ? 284 HIS A CB 1 ATOM 2202 C CG . HIS A 1 284 ? -5.212 104.302 14.009 1.00 23.42 ? 284 HIS A CG 1 ATOM 2203 N ND1 . HIS A 1 284 ? -6.486 103.993 14.465 1.00 22.84 ? 284 HIS A ND1 1 ATOM 2204 C CD2 . HIS A 1 284 ? -4.402 104.263 15.094 1.00 22.51 ? 284 HIS A CD2 1 ATOM 2205 C CE1 . HIS A 1 284 ? -6.440 103.786 15.770 1.00 22.16 ? 284 HIS A CE1 1 ATOM 2206 N NE2 . HIS A 1 284 ? -5.188 103.935 16.172 1.00 22.72 ? 284 HIS A NE2 1 ATOM 2207 N N . ARG A 1 285 ? -2.543 102.172 12.914 1.00 21.53 ? 285 ARG A N 1 ATOM 2208 C CA . ARG A 1 285 ? -2.269 100.753 13.130 1.00 22.08 ? 285 ARG A CA 1 ATOM 2209 C C . ARG A 1 285 ? -2.446 100.474 14.598 1.00 22.50 ? 285 ARG A C 1 ATOM 2210 O O . ARG A 1 285 ? -1.660 100.995 15.416 1.00 21.75 ? 285 ARG A O 1 ATOM 2211 C CB . ARG A 1 285 ? -0.819 100.456 12.752 1.00 21.34 ? 285 ARG A CB 1 ATOM 2212 C CG . ARG A 1 285 ? -0.265 99.048 13.206 1.00 21.15 ? 285 ARG A CG 1 ATOM 2213 C CD . ARG A 1 285 ? -1.174 97.845 12.902 1.00 20.82 ? 285 ARG A CD 1 ATOM 2214 N NE . ARG A 1 285 ? -1.283 97.674 11.477 1.00 20.37 ? 285 ARG A NE 1 ATOM 2215 C CZ . ARG A 1 285 ? -0.309 97.251 10.689 1.00 23.73 ? 285 ARG A CZ 1 ATOM 2216 N NH1 . ARG A 1 285 ? 0.858 96.858 11.185 1.00 22.44 ? 285 ARG A NH1 1 ATOM 2217 N NH2 . ARG A 1 285 ? -0.509 97.189 9.370 1.00 25.15 ? 285 ARG A NH2 1 ATOM 2218 N N . PHE A 1 286 ? -3.441 99.647 14.925 1.00 21.58 ? 286 PHE A N 1 ATOM 2219 C CA . PHE A 1 286 ? -3.447 98.979 16.210 1.00 21.52 ? 286 PHE A CA 1 ATOM 2220 C C . PHE A 1 286 ? -3.672 97.457 16.073 1.00 21.50 ? 286 PHE A C 1 ATOM 2221 O O . PHE A 1 286 ? -3.913 96.913 14.973 1.00 19.18 ? 286 PHE A O 1 ATOM 2222 C CB . PHE A 1 286 ? -4.464 99.626 17.148 1.00 22.35 ? 286 PHE A CB 1 ATOM 2223 C CG . PHE A 1 286 ? -5.876 99.608 16.607 1.00 22.71 ? 286 PHE A CG 1 ATOM 2224 C CD1 . PHE A 1 286 ? -6.278 100.546 15.661 1.00 23.46 ? 286 PHE A CD1 1 ATOM 2225 C CD2 . PHE A 1 286 ? -6.785 98.635 17.031 1.00 22.44 ? 286 PHE A CD2 1 ATOM 2226 C CE1 . PHE A 1 286 ? -7.555 100.483 15.153 1.00 24.05 ? 286 PHE A CE1 1 ATOM 2227 C CE2 . PHE A 1 286 ? -8.043 98.560 16.512 1.00 22.39 ? 286 PHE A CE2 1 ATOM 2228 C CZ . PHE A 1 286 ? -8.441 99.492 15.592 1.00 21.69 ? 286 PHE A CZ 1 ATOM 2229 N N . TYR A 1 287 ? -3.555 96.766 17.204 1.00 21.37 ? 287 TYR A N 1 ATOM 2230 C CA . TYR A 1 287 ? -3.605 95.317 17.205 1.00 21.89 ? 287 TYR A CA 1 ATOM 2231 C C . TYR A 1 287 ? -4.701 94.889 18.123 1.00 22.73 ? 287 TYR A C 1 ATOM 2232 O O . TYR A 1 287 ? -5.198 95.710 18.921 1.00 21.78 ? 287 TYR A O 1 ATOM 2233 C CB . TYR A 1 287 ? -2.284 94.760 17.685 1.00 20.40 ? 287 TYR A CB 1 ATOM 2234 C CG . TYR A 1 287 ? -1.150 95.217 16.797 1.00 20.11 ? 287 TYR A CG 1 ATOM 2235 C CD1 . TYR A 1 287 ? -0.527 96.429 17.020 1.00 19.55 ? 287 TYR A CD1 1 ATOM 2236 C CD2 . TYR A 1 287 ? -0.744 94.459 15.694 1.00 16.95 ? 287 TYR A CD2 1 ATOM 2237 C CE1 . TYR A 1 287 ? 0.480 96.874 16.195 1.00 20.37 ? 287 TYR A CE1 1 ATOM 2238 C CE2 . TYR A 1 287 ? 0.260 94.908 14.875 1.00 17.39 ? 287 TYR A CE2 1 ATOM 2239 C CZ . TYR A 1 287 ? 0.861 96.114 15.109 1.00 18.20 ? 287 TYR A CZ 1 ATOM 2240 O OH . TYR A 1 287 ? 1.907 96.583 14.287 1.00 20.25 ? 287 TYR A OH 1 ATOM 2241 N N . VAL A 1 288 ? -5.040 93.598 18.014 1.00 22.77 ? 288 VAL A N 1 ATOM 2242 C CA . VAL A 1 288 ? -5.936 92.893 18.952 1.00 23.57 ? 288 VAL A CA 1 ATOM 2243 C C . VAL A 1 288 ? -5.303 91.510 19.305 1.00 24.54 ? 288 VAL A C 1 ATOM 2244 O O . VAL A 1 288 ? -4.796 90.779 18.416 1.00 22.37 ? 288 VAL A O 1 ATOM 2245 C CB . VAL A 1 288 ? -7.338 92.624 18.377 1.00 23.36 ? 288 VAL A CB 1 ATOM 2246 C CG1 . VAL A 1 288 ? -8.325 92.112 19.458 1.00 22.93 ? 288 VAL A CG1 1 ATOM 2247 C CG2 . VAL A 1 288 ? -7.884 93.835 17.724 1.00 24.08 ? 288 VAL A CG2 1 ATOM 2248 N N . GLN A 1 289 ? -5.306 91.170 20.589 1.00 24.99 ? 289 GLN A N 1 ATOM 2249 C CA . GLN A 1 289 ? -4.730 89.878 21.049 1.00 25.84 ? 289 GLN A CA 1 ATOM 2250 C C . GLN A 1 289 ? -5.455 89.427 22.306 1.00 27.79 ? 289 GLN A C 1 ATOM 2251 O O . GLN A 1 289 ? -5.742 90.239 23.186 1.00 28.02 ? 289 GLN A O 1 ATOM 2252 C CB . GLN A 1 289 ? -3.239 89.998 21.331 1.00 25.37 ? 289 GLN A CB 1 ATOM 2253 C CG . GLN A 1 289 ? -2.532 88.612 21.583 1.00 25.46 ? 289 GLN A CG 1 ATOM 2254 C CD . GLN A 1 289 ? -1.093 88.678 21.404 1.00 23.00 ? 289 GLN A CD 1 ATOM 2255 O OE1 . GLN A 1 289 ? -0.442 89.496 22.031 1.00 22.99 ? 289 GLN A OE1 1 ATOM 2256 N NE2 . GLN A 1 289 ? -0.553 87.845 20.530 1.00 22.23 ? 289 GLN A NE2 1 ATOM 2257 N N . ASP A 1 290 ? -5.784 88.139 22.377 1.00 30.48 ? 290 ASP A N 1 ATOM 2258 C CA . ASP A 1 290 ? -6.540 87.571 23.500 1.00 31.40 ? 290 ASP A CA 1 ATOM 2259 C C . ASP A 1 290 ? -7.797 88.421 23.722 1.00 32.53 ? 290 ASP A C 1 ATOM 2260 O O . ASP A 1 290 ? -8.212 88.679 24.866 1.00 32.34 ? 290 ASP A O 1 ATOM 2261 C CB . ASP A 1 290 ? -5.687 87.495 24.780 1.00 32.91 ? 290 ASP A CB 1 ATOM 2262 C CG . ASP A 1 290 ? -4.311 86.737 24.576 1.00 38.10 ? 290 ASP A CG 1 ATOM 2263 O OD1 . ASP A 1 290 ? -4.236 85.678 23.884 1.00 41.81 ? 290 ASP A OD1 1 ATOM 2264 O OD2 . ASP A 1 290 ? -3.242 87.141 25.117 1.00 44.98 ? 290 ASP A OD2 1 ATOM 2265 N N . GLY A 1 291 ? -8.395 88.855 22.614 1.00 32.93 ? 291 GLY A N 1 ATOM 2266 C CA . GLY A 1 291 ? -9.616 89.673 22.656 1.00 33.04 ? 291 GLY A CA 1 ATOM 2267 C C . GLY A 1 291 ? -9.483 91.032 23.316 1.00 33.28 ? 291 GLY A C 1 ATOM 2268 O O . GLY A 1 291 ? -10.473 91.598 23.733 1.00 34.85 ? 291 GLY A O 1 ATOM 2269 N N . LYS A 1 292 ? -8.275 91.568 23.410 1.00 32.89 ? 292 LYS A N 1 ATOM 2270 C CA . LYS A 1 292 ? -8.076 92.892 23.950 1.00 32.75 ? 292 LYS A CA 1 ATOM 2271 C C . LYS A 1 292 ? -7.549 93.795 22.863 1.00 31.08 ? 292 LYS A C 1 ATOM 2272 O O . LYS A 1 292 ? -6.661 93.448 22.162 1.00 29.04 ? 292 LYS A O 1 ATOM 2273 C CB . LYS A 1 292 ? -7.055 92.868 25.089 1.00 33.70 ? 292 LYS A CB 1 ATOM 2274 C CG . LYS A 1 292 ? -7.315 91.779 26.155 1.00 37.32 ? 292 LYS A CG 1 ATOM 2275 C CD . LYS A 1 292 ? -7.774 92.358 27.501 1.00 40.89 ? 292 LYS A CD 1 ATOM 2276 C CE . LYS A 1 292 ? -7.888 91.262 28.575 1.00 41.43 ? 292 LYS A CE 1 ATOM 2277 N NZ . LYS A 1 292 ? -6.618 90.475 28.689 1.00 44.21 ? 292 LYS A NZ 1 ATOM 2278 N N . VAL A 1 293 ? -8.100 94.988 22.745 1.00 30.29 ? 293 VAL A N 1 ATOM 2279 C CA . VAL A 1 293 ? -7.586 95.922 21.784 1.00 28.86 ? 293 VAL A CA 1 ATOM 2280 C C . VAL A 1 293 ? -6.319 96.477 22.366 1.00 27.94 ? 293 VAL A C 1 ATOM 2281 O O . VAL A 1 293 ? -6.293 96.958 23.496 1.00 28.77 ? 293 VAL A O 1 ATOM 2282 C CB . VAL A 1 293 ? -8.625 96.989 21.462 1.00 29.03 ? 293 VAL A CB 1 ATOM 2283 C CG1 . VAL A 1 293 ? -8.087 97.978 20.502 1.00 27.86 ? 293 VAL A CG1 1 ATOM 2284 C CG2 . VAL A 1 293 ? -9.875 96.304 20.865 1.00 29.59 ? 293 VAL A CG2 1 ATOM 2285 N N . ILE A 1 294 ? -5.254 96.343 21.612 1.00 26.97 ? 294 ILE A N 1 ATOM 2286 C CA . ILE A 1 294 ? -3.988 96.948 21.942 1.00 26.73 ? 294 ILE A CA 1 ATOM 2287 C C . ILE A 1 294 ? -3.802 98.206 21.056 1.00 26.59 ? 294 ILE A C 1 ATOM 2288 O O . ILE A 1 294 ? -3.550 98.124 19.870 1.00 26.02 ? 294 ILE A O 1 ATOM 2289 C CB . ILE A 1 294 ? -2.797 95.948 21.758 1.00 26.16 ? 294 ILE A CB 1 ATOM 2290 C CG1 . ILE A 1 294 ? -2.838 94.817 22.779 1.00 28.18 ? 294 ILE A CG1 1 ATOM 2291 C CG2 . ILE A 1 294 ? -1.479 96.675 21.936 1.00 27.09 ? 294 ILE A CG2 1 ATOM 2292 C CD1 . ILE A 1 294 ? -3.257 93.487 22.256 1.00 30.91 ? 294 ILE A CD1 1 ATOM 2293 N N . GLU A 1 295 ? -3.925 99.369 21.681 1.00 26.66 ? 295 GLU A N 1 ATOM 2294 C CA . GLU A 1 295 ? -3.898 100.652 21.032 1.00 26.17 ? 295 GLU A CA 1 ATOM 2295 C C . GLU A 1 295 ? -2.492 100.985 20.529 1.00 25.34 ? 295 GLU A C 1 ATOM 2296 O O . GLU A 1 295 ? -1.483 100.558 21.096 1.00 24.56 ? 295 GLU A O 1 ATOM 2297 C CB . GLU A 1 295 ? -4.398 101.723 22.040 1.00 28.43 ? 295 GLU A CB 1 ATOM 2298 C CG . GLU A 1 295 ? -3.463 102.019 23.246 1.00 31.32 ? 295 GLU A CG 1 ATOM 2299 C CD . GLU A 1 295 ? -3.607 101.059 24.466 1.00 36.21 ? 295 GLU A CD 1 ATOM 2300 O OE1 . GLU A 1 295 ? -4.504 100.160 24.494 1.00 38.02 ? 295 GLU A OE1 1 ATOM 2301 O OE2 . GLU A 1 295 ? -2.799 101.220 25.426 1.00 37.36 ? 295 GLU A OE2 1 ATOM 2302 N N . SER A 1 296 ? -2.422 101.787 19.492 1.00 23.66 ? 296 SER A N 1 ATOM 2303 C CA . SER A 1 296 ? -1.150 102.172 18.950 1.00 23.78 ? 296 SER A CA 1 ATOM 2304 C C . SER A 1 296 ? -0.400 102.849 20.018 1.00 23.34 ? 296 SER A C 1 ATOM 2305 O O . SER A 1 296 ? -0.944 103.598 20.764 1.00 23.85 ? 296 SER A O 1 ATOM 2306 C CB . SER A 1 296 ? -1.298 103.161 17.788 1.00 22.45 ? 296 SER A CB 1 ATOM 2307 O OG . SER A 1 296 ? -0.034 103.378 17.217 1.00 21.38 ? 296 SER A OG 1 ATOM 2308 N N . PHE A 1 297 ? 0.870 102.566 20.108 1.00 24.34 ? 297 PHE A N 1 ATOM 2309 C CA . PHE A 1 297 ? 1.762 103.431 20.825 1.00 25.55 ? 297 PHE A CA 1 ATOM 2310 C C . PHE A 1 297 ? 1.733 104.906 20.254 1.00 25.27 ? 297 PHE A C 1 ATOM 2311 O O . PHE A 1 297 ? 1.255 105.130 19.121 1.00 25.54 ? 297 PHE A O 1 ATOM 2312 C CB . PHE A 1 297 ? 3.164 102.861 20.694 1.00 26.30 ? 297 PHE A CB 1 ATOM 2313 C CG . PHE A 1 297 ? 3.586 102.644 19.266 1.00 27.29 ? 297 PHE A CG 1 ATOM 2314 C CD1 . PHE A 1 297 ? 3.266 101.486 18.607 1.00 29.28 ? 297 PHE A CD1 1 ATOM 2315 C CD2 . PHE A 1 297 ? 4.330 103.594 18.595 1.00 28.50 ? 297 PHE A CD2 1 ATOM 2316 C CE1 . PHE A 1 297 ? 3.664 101.308 17.303 1.00 28.07 ? 297 PHE A CE1 1 ATOM 2317 C CE2 . PHE A 1 297 ? 4.733 103.400 17.310 1.00 27.75 ? 297 PHE A CE2 1 ATOM 2318 C CZ . PHE A 1 297 ? 4.407 102.277 16.660 1.00 25.66 ? 297 PHE A CZ 1 ATOM 2319 N N . TYR A 1 298 ? 2.252 105.871 21.035 1.00 24.44 ? 298 TYR A N 1 ATOM 2320 C CA . TYR A 1 298 ? 2.652 107.200 20.507 1.00 23.45 ? 298 TYR A CA 1 ATOM 2321 C C . TYR A 1 298 ? 4.150 107.313 20.337 1.00 22.56 ? 298 TYR A C 1 ATOM 2322 O O . TYR A 1 298 ? 4.900 106.697 21.044 1.00 21.67 ? 298 TYR A O 1 ATOM 2323 C CB . TYR A 1 298 ? 2.273 108.305 21.473 1.00 23.39 ? 298 TYR A CB 1 ATOM 2324 C CG . TYR A 1 298 ? 0.857 108.721 21.409 1.00 22.58 ? 298 TYR A CG 1 ATOM 2325 C CD1 . TYR A 1 298 ? -0.110 108.016 22.104 1.00 18.02 ? 298 TYR A CD1 1 ATOM 2326 C CD2 . TYR A 1 298 ? 0.469 109.861 20.662 1.00 20.86 ? 298 TYR A CD2 1 ATOM 2327 C CE1 . TYR A 1 298 ? -1.436 108.391 22.049 1.00 21.19 ? 298 TYR A CE1 1 ATOM 2328 C CE2 . TYR A 1 298 ? -0.857 110.251 20.626 1.00 21.01 ? 298 TYR A CE2 1 ATOM 2329 C CZ . TYR A 1 298 ? -1.812 109.503 21.322 1.00 21.32 ? 298 TYR A CZ 1 ATOM 2330 O OH . TYR A 1 298 ? -3.167 109.864 21.308 1.00 22.40 ? 298 TYR A OH 1 ATOM 2331 N N . THR A 1 299 ? 4.605 108.163 19.450 1.00 23.13 ? 299 THR A N 1 ATOM 2332 C CA . THR A 1 299 ? 6.031 108.332 19.316 1.00 25.01 ? 299 THR A CA 1 ATOM 2333 C C . THR A 1 299 ? 6.607 108.862 20.643 1.00 26.67 ? 299 THR A C 1 ATOM 2334 O O . THR A 1 299 ? 5.880 109.430 21.449 1.00 27.49 ? 299 THR A O 1 ATOM 2335 C CB . THR A 1 299 ? 6.347 109.257 18.192 1.00 24.48 ? 299 THR A CB 1 ATOM 2336 O OG1 . THR A 1 299 ? 5.749 110.537 18.459 1.00 26.48 ? 299 THR A OG1 1 ATOM 2337 C CG2 . THR A 1 299 ? 5.715 108.761 16.885 1.00 22.61 ? 299 THR A CG2 1 ATOM 2338 N N . ASN A 1 300 ? 7.902 108.637 20.885 1.00 28.53 ? 300 ASN A N 1 ATOM 2339 C CA . ASN A 1 300 ? 8.521 109.050 22.154 1.00 28.19 ? 300 ASN A CA 1 ATOM 2340 C C . ASN A 1 300 ? 9.953 109.403 21.940 1.00 28.64 ? 300 ASN A C 1 ATOM 2341 O O . ASN A 1 300 ? 10.843 108.804 22.562 1.00 28.01 ? 300 ASN A O 1 ATOM 2342 C CB . ASN A 1 300 ? 8.443 107.929 23.177 1.00 28.68 ? 300 ASN A CB 1 ATOM 2343 C CG . ASN A 1 300 ? 8.923 108.367 24.567 1.00 30.74 ? 300 ASN A CG 1 ATOM 2344 O OD1 . ASN A 1 300 ? 8.722 109.521 24.966 1.00 31.79 ? 300 ASN A OD1 1 ATOM 2345 N ND2 . ASN A 1 300 ? 9.551 107.440 25.303 1.00 31.05 ? 300 ASN A ND2 1 ATOM 2346 N N . LYS A 1 301 ? 10.220 110.368 21.075 1.00 28.87 ? 301 LYS A N 1 ATOM 2347 C CA . LYS A 1 301 ? 11.621 110.576 20.736 1.00 30.27 ? 301 LYS A CA 1 ATOM 2348 C C . LYS A 1 301 ? 11.938 112.020 20.461 1.00 31.22 ? 301 LYS A C 1 ATOM 2349 O O . LYS A 1 301 ? 11.298 112.640 19.638 1.00 31.09 ? 301 LYS A O 1 ATOM 2350 C CB . LYS A 1 301 ? 11.973 109.689 19.536 1.00 29.66 ? 301 LYS A CB 1 ATOM 2351 C CG . LYS A 1 301 ? 13.354 109.835 18.998 1.00 29.63 ? 301 LYS A CG 1 ATOM 2352 C CD . LYS A 1 301 ? 13.686 108.714 18.042 1.00 30.80 ? 301 LYS A CD 1 ATOM 2353 C CE . LYS A 1 301 ? 14.666 109.199 17.010 1.00 35.31 ? 301 LYS A CE 1 ATOM 2354 N NZ . LYS A 1 301 ? 16.072 109.163 17.516 1.00 33.88 ? 301 LYS A NZ 1 ATOM 2355 N N . GLU A 1 302 ? 12.958 112.549 21.113 1.00 32.55 ? 302 GLU A N 1 ATOM 2356 C CA . GLU A 1 302 ? 13.281 113.941 20.863 1.00 33.86 ? 302 GLU A CA 1 ATOM 2357 C C . GLU A 1 302 ? 13.448 114.181 19.358 1.00 33.85 ? 302 GLU A C 1 ATOM 2358 O O . GLU A 1 302 ? 14.097 113.378 18.631 1.00 33.56 ? 302 GLU A O 1 ATOM 2359 C CB A GLU A 1 302 ? 14.526 114.359 21.662 0.50 34.11 ? 302 GLU A CB 1 ATOM 2360 C CB B GLU A 1 302 ? 14.513 114.419 21.647 0.50 34.09 ? 302 GLU A CB 1 ATOM 2361 C CG A GLU A 1 302 ? 14.407 114.078 23.168 0.50 35.00 ? 302 GLU A CG 1 ATOM 2362 C CG B GLU A 1 302 ? 14.183 115.296 22.862 0.50 34.73 ? 302 GLU A CG 1 ATOM 2363 C CD A GLU A 1 302 ? 15.342 114.915 24.031 0.50 35.37 ? 302 GLU A CD 1 ATOM 2364 C CD B GLU A 1 302 ? 14.192 116.782 22.553 0.50 35.48 ? 302 GLU A CD 1 ATOM 2365 O OE1 A GLU A 1 302 ? 16.433 115.319 23.554 0.50 36.86 ? 302 GLU A OE1 1 ATOM 2366 O OE1 B GLU A 1 302 ? 14.900 117.528 23.265 0.50 36.79 ? 302 GLU A OE1 1 ATOM 2367 O OE2 A GLU A 1 302 ? 14.973 115.168 25.204 0.50 37.37 ? 302 GLU A OE2 1 ATOM 2368 O OE2 B GLU A 1 302 ? 13.493 117.215 21.615 0.50 35.12 ? 302 GLU A OE2 1 ATOM 2369 N N . GLY A 1 303 ? 12.784 115.242 18.890 1.00 33.10 ? 303 GLY A N 1 ATOM 2370 C CA . GLY A 1 303 ? 12.807 115.623 17.486 1.00 33.32 ? 303 GLY A CA 1 ATOM 2371 C C . GLY A 1 303 ? 11.805 114.903 16.578 1.00 33.36 ? 303 GLY A C 1 ATOM 2372 O O . GLY A 1 303 ? 11.761 115.142 15.368 1.00 35.36 ? 303 GLY A O 1 ATOM 2373 N N . VAL A 1 304 ? 10.974 114.052 17.154 1.00 32.02 ? 304 VAL A N 1 ATOM 2374 C CA . VAL A 1 304 ? 10.006 113.304 16.378 1.00 30.81 ? 304 VAL A CA 1 ATOM 2375 C C . VAL A 1 304 ? 8.641 113.793 16.815 1.00 29.10 ? 304 VAL A C 1 ATOM 2376 O O . VAL A 1 304 ? 8.336 113.690 17.991 1.00 29.39 ? 304 VAL A O 1 ATOM 2377 C CB . VAL A 1 304 ? 10.128 111.782 16.623 1.00 29.95 ? 304 VAL A CB 1 ATOM 2378 C CG1 . VAL A 1 304 ? 8.974 111.043 15.969 1.00 31.35 ? 304 VAL A CG1 1 ATOM 2379 C CG2 . VAL A 1 304 ? 11.459 111.261 16.096 1.00 31.27 ? 304 VAL A CG2 1 ATOM 2380 N N . PRO A 1 305 ? 7.831 114.317 15.889 1.00 27.73 ? 305 PRO A N 1 ATOM 2381 C CA . PRO A 1 305 ? 6.507 114.846 16.229 1.00 27.34 ? 305 PRO A CA 1 ATOM 2382 C C . PRO A 1 305 ? 5.712 113.866 17.032 1.00 25.78 ? 305 PRO A C 1 ATOM 2383 O O . PRO A 1 305 ? 5.838 112.679 16.813 1.00 25.05 ? 305 PRO A O 1 ATOM 2384 C CB . PRO A 1 305 ? 5.875 115.060 14.865 1.00 27.65 ? 305 PRO A CB 1 ATOM 2385 C CG . PRO A 1 305 ? 7.077 115.407 13.984 1.00 27.43 ? 305 PRO A CG 1 ATOM 2386 C CD . PRO A 1 305 ? 8.126 114.500 14.452 1.00 27.71 ? 305 PRO A CD 1 ATOM 2387 N N . TYR A 1 306 ? 4.944 114.351 17.987 1.00 24.77 ? 306 TYR A N 1 ATOM 2388 C CA . TYR A 1 306 ? 4.189 113.473 18.885 1.00 24.93 ? 306 TYR A CA 1 ATOM 2389 C C . TYR A 1 306 ? 2.963 113.040 18.152 1.00 24.27 ? 306 TYR A C 1 ATOM 2390 O O . TYR A 1 306 ? 2.164 113.866 17.838 1.00 24.55 ? 306 TYR A O 1 ATOM 2391 C CB . TYR A 1 306 ? 3.785 114.188 20.177 1.00 24.28 ? 306 TYR A CB 1 ATOM 2392 C CG . TYR A 1 306 ? 2.937 113.382 21.159 1.00 24.69 ? 306 TYR A CG 1 ATOM 2393 C CD1 . TYR A 1 306 ? 3.469 112.301 21.873 1.00 25.29 ? 306 TYR A CD1 1 ATOM 2394 C CD2 . TYR A 1 306 ? 1.619 113.729 21.415 1.00 25.82 ? 306 TYR A CD2 1 ATOM 2395 C CE1 . TYR A 1 306 ? 2.697 111.590 22.805 1.00 24.33 ? 306 TYR A CE1 1 ATOM 2396 C CE2 . TYR A 1 306 ? 0.846 113.018 22.336 1.00 23.70 ? 306 TYR A CE2 1 ATOM 2397 C CZ . TYR A 1 306 ? 1.378 111.950 23.025 1.00 25.16 ? 306 TYR A CZ 1 ATOM 2398 O OH . TYR A 1 306 ? 0.573 111.233 23.946 1.00 23.43 ? 306 TYR A OH 1 ATOM 2399 N N . THR A 1 307 ? 2.809 111.746 17.911 1.00 24.26 ? 307 THR A N 1 ATOM 2400 C CA . THR A 1 307 ? 1.632 111.190 17.215 1.00 23.87 ? 307 THR A CA 1 ATOM 2401 C C . THR A 1 307 ? 1.536 109.676 17.457 1.00 23.89 ? 307 THR A C 1 ATOM 2402 O O . THR A 1 307 ? 2.553 109.027 17.741 1.00 22.68 ? 307 THR A O 1 ATOM 2403 C CB . THR A 1 307 ? 1.745 111.529 15.675 1.00 24.47 ? 307 THR A CB 1 ATOM 2404 O OG1 . THR A 1 307 ? 0.633 111.002 14.927 1.00 20.74 ? 307 THR A OG1 1 ATOM 2405 C CG2 . THR A 1 307 ? 3.056 110.893 15.027 1.00 24.03 ? 307 THR A CG2 1 ATOM 2406 N N . ASN A 1 308 ? 0.310 109.142 17.351 1.00 23.59 ? 308 ASN A N 1 ATOM 2407 C CA . ASN A 1 308 ? 0.059 107.713 17.274 1.00 24.08 ? 308 ASN A CA 1 ATOM 2408 C C . ASN A 1 308 ? -0.428 107.205 15.891 1.00 24.43 ? 308 ASN A C 1 ATOM 2409 O O . ASN A 1 308 ? -1.107 106.184 15.828 1.00 24.45 ? 308 ASN A O 1 ATOM 2410 C CB . ASN A 1 308 ? -0.981 107.310 18.308 1.00 23.37 ? 308 ASN A CB 1 ATOM 2411 C CG . ASN A 1 308 ? -2.333 107.853 18.007 1.00 21.71 ? 308 ASN A CG 1 ATOM 2412 O OD1 . ASN A 1 308 ? -2.456 108.821 17.278 1.00 19.36 ? 308 ASN A OD1 1 ATOM 2413 N ND2 . ASN A 1 308 ? -3.374 107.239 18.590 1.00 16.97 ? 308 ASN A ND2 1 ATOM 2414 N N . MET A 1 309 ? -0.134 107.938 14.824 1.00 24.75 ? 309 MET A N 1 ATOM 2415 C CA . MET A 1 309 ? -0.552 107.572 13.463 1.00 25.22 ? 309 MET A CA 1 ATOM 2416 C C . MET A 1 309 ? 0.392 108.239 12.537 1.00 25.64 ? 309 MET A C 1 ATOM 2417 O O . MET A 1 309 ? 0.886 109.329 12.841 1.00 25.14 ? 309 MET A O 1 ATOM 2418 C CB . MET A 1 309 ? -1.937 108.088 13.106 1.00 25.40 ? 309 MET A CB 1 ATOM 2419 C CG . MET A 1 309 ? -3.089 107.642 13.973 1.00 25.13 ? 309 MET A CG 1 ATOM 2420 S SD . MET A 1 309 ? -4.687 108.446 13.464 1.00 28.45 ? 309 MET A SD 1 ATOM 2421 C CE . MET A 1 309 ? -5.713 107.941 14.744 1.00 27.17 ? 309 MET A CE 1 ATOM 2422 N N . ILE A 1 310 ? 0.621 107.587 11.395 1.00 25.57 ? 310 ILE A N 1 ATOM 2423 C CA . ILE A 1 310 ? 1.389 108.148 10.299 1.00 25.45 ? 310 ILE A CA 1 ATOM 2424 C C . ILE A 1 310 ? 0.587 109.281 9.649 1.00 25.11 ? 310 ILE A C 1 ATOM 2425 O O . ILE A 1 310 ? -0.586 109.138 9.372 1.00 23.51 ? 310 ILE A O 1 ATOM 2426 C CB . ILE A 1 310 ? 1.687 107.088 9.182 1.00 25.24 ? 310 ILE A CB 1 ATOM 2427 C CG1 . ILE A 1 310 ? 2.518 105.915 9.694 1.00 26.03 ? 310 ILE A CG1 1 ATOM 2428 C CG2 . ILE A 1 310 ? 2.424 107.765 8.043 1.00 26.54 ? 310 ILE A CG2 1 ATOM 2429 C CD1 . ILE A 1 310 ? 2.468 104.747 8.807 1.00 26.27 ? 310 ILE A CD1 1 ATOM 2430 N N . ASP A 1 311 ? 1.257 110.398 9.417 1.00 25.27 ? 311 ASP A N 1 ATOM 2431 C CA . ASP A 1 311 ? 0.698 111.503 8.688 1.00 25.52 ? 311 ASP A CA 1 ATOM 2432 C C . ASP A 1 311 ? 1.845 112.363 8.188 1.00 25.83 ? 311 ASP A C 1 ATOM 2433 O O . ASP A 1 311 ? 3.036 112.090 8.470 1.00 23.82 ? 311 ASP A O 1 ATOM 2434 C CB . ASP A 1 311 ? -0.293 112.316 9.518 1.00 26.02 ? 311 ASP A CB 1 ATOM 2435 C CG . ASP A 1 311 ? 0.322 112.943 10.756 1.00 28.00 ? 311 ASP A CG 1 ATOM 2436 O OD1 . ASP A 1 311 ? 1.569 113.260 10.826 1.00 27.98 ? 311 ASP A OD1 1 ATOM 2437 O OD2 . ASP A 1 311 ? -0.423 113.144 11.730 1.00 32.37 ? 311 ASP A OD2 1 ATOM 2438 N N . ASP A 1 312 ? 1.472 113.373 7.412 1.00 25.84 ? 312 ASP A N 1 ATOM 2439 C CA . ASP A 1 312 ? 2.448 114.203 6.769 1.00 27.47 ? 312 ASP A CA 1 ATOM 2440 C C . ASP A 1 312 ? 3.487 114.826 7.712 1.00 27.16 ? 312 ASP A C 1 ATOM 2441 O O . ASP A 1 312 ? 4.689 114.865 7.393 1.00 26.01 ? 312 ASP A O 1 ATOM 2442 C CB . ASP A 1 312 ? 1.701 115.278 5.983 1.00 28.61 ? 312 ASP A CB 1 ATOM 2443 C CG . ASP A 1 312 ? 1.333 114.807 4.594 1.00 31.94 ? 312 ASP A CG 1 ATOM 2444 O OD1 . ASP A 1 312 ? 1.596 113.606 4.264 1.00 32.29 ? 312 ASP A OD1 1 ATOM 2445 O OD2 . ASP A 1 312 ? 0.832 115.587 3.753 1.00 32.16 ? 312 ASP A OD2 1 ATOM 2446 N N . GLU A 1 313 ? 3.003 115.309 8.865 1.00 27.88 ? 313 GLU A N 1 ATOM 2447 C CA . GLU A 1 313 ? 3.839 115.973 9.896 1.00 27.43 ? 313 GLU A CA 1 ATOM 2448 C C . GLU A 1 313 ? 4.972 115.048 10.387 1.00 26.78 ? 313 GLU A C 1 ATOM 2449 O O . GLU A 1 313 ? 6.153 115.414 10.464 1.00 26.55 ? 313 GLU A O 1 ATOM 2450 C CB . GLU A 1 313 ? 2.954 116.394 11.070 1.00 26.19 ? 313 GLU A CB 1 ATOM 2451 C CG . GLU A 1 313 ? 3.714 117.333 11.962 1.00 29.04 ? 313 GLU A CG 1 ATOM 2452 C CD . GLU A 1 313 ? 3.022 117.706 13.252 1.00 29.12 ? 313 GLU A CD 1 ATOM 2453 O OE1 . GLU A 1 313 ? 1.763 117.564 13.342 1.00 30.50 ? 313 GLU A OE1 1 ATOM 2454 O OE2 . GLU A 1 313 ? 3.788 118.163 14.145 1.00 28.79 ? 313 GLU A OE2 1 ATOM 2455 N N . PHE A 1 314 ? 4.599 113.822 10.689 1.00 26.82 ? 314 PHE A N 1 ATOM 2456 C CA . PHE A 1 314 ? 5.577 112.829 11.133 1.00 27.21 ? 314 PHE A CA 1 ATOM 2457 C C . PHE A 1 314 ? 6.560 112.453 10.033 1.00 27.32 ? 314 PHE A C 1 ATOM 2458 O O . PHE A 1 314 ? 7.769 112.427 10.200 1.00 25.88 ? 314 PHE A O 1 ATOM 2459 C CB . PHE A 1 314 ? 4.817 111.604 11.593 1.00 27.42 ? 314 PHE A CB 1 ATOM 2460 C CG . PHE A 1 314 ? 5.688 110.395 11.797 1.00 28.06 ? 314 PHE A CG 1 ATOM 2461 C CD1 . PHE A 1 314 ? 6.466 110.269 12.942 1.00 25.93 ? 314 PHE A CD1 1 ATOM 2462 C CD2 . PHE A 1 314 ? 5.710 109.372 10.834 1.00 27.23 ? 314 PHE A CD2 1 ATOM 2463 C CE1 . PHE A 1 314 ? 7.267 109.153 13.140 1.00 27.05 ? 314 PHE A CE1 1 ATOM 2464 C CE2 . PHE A 1 314 ? 6.526 108.281 11.015 1.00 27.63 ? 314 PHE A CE2 1 ATOM 2465 C CZ . PHE A 1 314 ? 7.294 108.161 12.188 1.00 27.91 ? 314 PHE A CZ 1 ATOM 2466 N N . CYS A 1 315 ? 5.998 112.127 8.885 1.00 28.76 ? 315 CYS A N 1 ATOM 2467 C CA . CYS A 1 315 ? 6.776 111.687 7.770 1.00 29.63 ? 315 CYS A CA 1 ATOM 2468 C C . CYS A 1 315 ? 7.854 112.700 7.411 1.00 29.97 ? 315 CYS A C 1 ATOM 2469 O O . CYS A 1 315 ? 9.009 112.312 7.253 1.00 30.23 ? 315 CYS A O 1 ATOM 2470 C CB . CYS A 1 315 ? 5.849 111.427 6.578 1.00 30.18 ? 315 CYS A CB 1 ATOM 2471 S SG . CYS A 1 315 ? 4.816 109.963 6.768 1.00 30.78 ? 315 CYS A SG 1 ATOM 2472 N N . GLU A 1 316 ? 7.466 113.976 7.289 1.00 30.72 ? 316 GLU A N 1 ATOM 2473 C CA . GLU A 1 316 ? 8.387 115.096 6.975 1.00 30.79 ? 316 GLU A CA 1 ATOM 2474 C C . GLU A 1 316 ? 9.576 115.259 7.917 1.00 30.21 ? 316 GLU A C 1 ATOM 2475 O O . GLU A 1 316 ? 10.715 115.459 7.479 1.00 30.57 ? 316 GLU A O 1 ATOM 2476 C CB . GLU A 1 316 ? 7.626 116.432 6.986 1.00 30.99 ? 316 GLU A CB 1 ATOM 2477 C CG . GLU A 1 316 ? 8.483 117.635 6.547 1.00 34.59 ? 316 GLU A CG 1 ATOM 2478 C CD . GLU A 1 316 ? 8.347 117.970 5.054 1.00 42.97 ? 316 GLU A CD 1 ATOM 2479 O OE1 . GLU A 1 316 ? 7.307 118.580 4.658 1.00 45.80 ? 316 GLU A OE1 1 ATOM 2480 O OE2 . GLU A 1 316 ? 9.283 117.629 4.259 1.00 50.19 ? 316 GLU A OE2 1 ATOM 2481 N N . ALA A 1 317 ? 9.266 115.220 9.203 1.00 30.49 ? 317 ALA A N 1 ATOM 2482 C CA . ALA A 1 317 ? 10.218 115.396 10.298 1.00 30.87 ? 317 ALA A CA 1 ATOM 2483 C C . ALA A 1 317 ? 11.142 114.210 10.472 1.00 31.16 ? 317 ALA A C 1 ATOM 2484 O O . ALA A 1 317 ? 12.259 114.371 10.930 1.00 31.25 ? 317 ALA A O 1 ATOM 2485 C CB . ALA A 1 317 ? 9.454 115.626 11.608 1.00 31.04 ? 317 ALA A CB 1 ATOM 2486 N N . THR A 1 318 ? 10.689 113.004 10.122 1.00 31.08 ? 318 THR A N 1 ATOM 2487 C CA . THR A 1 318 ? 11.576 111.845 10.191 1.00 30.48 ? 318 THR A CA 1 ATOM 2488 C C . THR A 1 318 ? 12.328 111.670 8.878 1.00 30.53 ? 318 THR A C 1 ATOM 2489 O O . THR A 1 318 ? 12.998 110.659 8.660 1.00 31.29 ? 318 THR A O 1 ATOM 2490 C CB . THR A 1 318 ? 10.770 110.624 10.621 1.00 30.72 ? 318 THR A CB 1 ATOM 2491 O OG1 . THR A 1 318 ? 9.718 110.354 9.687 1.00 29.09 ? 318 THR A OG1 1 ATOM 2492 C CG2 . THR A 1 318 ? 10.025 110.944 11.936 1.00 29.60 ? 318 THR A CG2 1 ATOM 2493 N N . GLY A 1 319 ? 12.258 112.683 8.005 1.00 30.73 ? 319 GLY A N 1 ATOM 2494 C CA . GLY A 1 319 ? 13.183 112.765 6.864 1.00 30.41 ? 319 GLY A CA 1 ATOM 2495 C C . GLY A 1 319 ? 12.795 111.882 5.679 1.00 30.41 ? 319 GLY A C 1 ATOM 2496 O O . GLY A 1 319 ? 13.665 111.496 4.847 1.00 29.80 ? 319 GLY A O 1 ATOM 2497 N N . SER A 1 320 ? 11.487 111.578 5.609 1.00 29.84 ? 320 SER A N 1 ATOM 2498 C CA . SER A 1 320 ? 10.870 110.883 4.465 1.00 29.09 ? 320 SER A CA 1 ATOM 2499 C C . SER A 1 320 ? 10.719 111.845 3.280 1.00 28.09 ? 320 SER A C 1 ATOM 2500 O O . SER A 1 320 ? 9.608 112.178 2.901 1.00 27.96 ? 320 SER A O 1 ATOM 2501 C CB . SER A 1 320 ? 9.490 110.358 4.864 1.00 29.49 ? 320 SER A CB 1 ATOM 2502 O OG . SER A 1 320 ? 9.572 109.594 6.044 1.00 29.82 ? 320 SER A OG 1 ATOM 2503 N N . ARG A 1 321 ? 11.847 112.250 2.704 1.00 27.10 ? 321 ARG A N 1 ATOM 2504 C CA . ARG A 1 321 ? 11.914 113.354 1.752 1.00 27.28 ? 321 ARG A CA 1 ATOM 2505 C C . ARG A 1 321 ? 11.213 113.028 0.408 1.00 25.93 ? 321 ARG A C 1 ATOM 2506 O O . ARG A 1 321 ? 10.306 113.757 -0.027 1.00 25.83 ? 321 ARG A O 1 ATOM 2507 C CB . ARG A 1 321 ? 13.411 113.758 1.528 1.00 27.67 ? 321 ARG A CB 1 ATOM 2508 C CG . ARG A 1 321 ? 13.578 114.944 0.592 1.00 27.72 ? 321 ARG A CG 1 ATOM 2509 C CD . ARG A 1 321 ? 14.968 115.346 0.278 1.00 30.20 ? 321 ARG A CD 1 ATOM 2510 N NE . ARG A 1 321 ? 15.921 114.237 0.154 1.00 32.92 ? 321 ARG A NE 1 ATOM 2511 C CZ . ARG A 1 321 ? 16.357 113.741 -0.987 1.00 34.17 ? 321 ARG A CZ 1 ATOM 2512 N NH1 . ARG A 1 321 ? 15.884 114.204 -2.130 1.00 36.29 ? 321 ARG A NH1 1 ATOM 2513 N NH2 . ARG A 1 321 ? 17.247 112.748 -0.991 1.00 35.99 ? 321 ARG A NH2 1 ATOM 2514 N N . LYS A 1 322 ? 11.583 111.914 -0.222 1.00 25.01 ? 322 LYS A N 1 ATOM 2515 C CA . LYS A 1 322 ? 10.961 111.533 -1.503 1.00 23.88 ? 322 LYS A CA 1 ATOM 2516 C C . LYS A 1 322 ? 9.511 111.172 -1.343 1.00 23.63 ? 322 LYS A C 1 ATOM 2517 O O . LYS A 1 322 ? 8.756 111.334 -2.284 1.00 24.11 ? 322 LYS A O 1 ATOM 2518 C CB . LYS A 1 322 ? 11.713 110.404 -2.182 1.00 23.46 ? 322 LYS A CB 1 ATOM 2519 C CG . LYS A 1 322 ? 13.201 110.712 -2.538 1.00 24.01 ? 322 LYS A CG 1 ATOM 2520 C CD . LYS A 1 322 ? 13.440 111.625 -3.766 1.00 23.62 ? 322 LYS A CD 1 ATOM 2521 C CE . LYS A 1 322 ? 12.673 111.220 -5.016 1.00 22.43 ? 322 LYS A CE 1 ATOM 2522 N NZ . LYS A 1 322 ? 13.096 112.018 -6.189 1.00 24.89 ? 322 LYS A NZ 1 ATOM 2523 N N . TYR A 1 323 ? 9.104 110.681 -0.169 1.00 23.76 ? 323 TYR A N 1 ATOM 2524 C CA . TYR A 1 323 ? 7.693 110.388 0.099 1.00 24.07 ? 323 TYR A CA 1 ATOM 2525 C C . TYR A 1 323 ? 6.842 111.653 0.004 1.00 24.50 ? 323 TYR A C 1 ATOM 2526 O O . TYR A 1 323 ? 5.752 111.636 -0.521 1.00 22.97 ? 323 TYR A O 1 ATOM 2527 C CB . TYR A 1 323 ? 7.519 109.854 1.505 1.00 23.65 ? 323 TYR A CB 1 ATOM 2528 C CG . TYR A 1 323 ? 6.058 109.683 1.948 1.00 24.55 ? 323 TYR A CG 1 ATOM 2529 C CD1 . TYR A 1 323 ? 5.428 110.611 2.768 1.00 25.85 ? 323 TYR A CD1 1 ATOM 2530 C CD2 . TYR A 1 323 ? 5.334 108.561 1.589 1.00 24.10 ? 323 TYR A CD2 1 ATOM 2531 C CE1 . TYR A 1 323 ? 4.106 110.433 3.193 1.00 22.17 ? 323 TYR A CE1 1 ATOM 2532 C CE2 . TYR A 1 323 ? 4.027 108.405 1.983 1.00 23.81 ? 323 TYR A CE2 1 ATOM 2533 C CZ . TYR A 1 323 ? 3.429 109.324 2.789 1.00 22.82 ? 323 TYR A CZ 1 ATOM 2534 O OH . TYR A 1 323 ? 2.137 109.112 3.216 1.00 23.79 ? 323 TYR A OH 1 ATOM 2535 N N . MET A 1 324 ? 7.355 112.731 0.601 1.00 25.85 ? 324 MET A N 1 ATOM 2536 C CA . MET A 1 324 ? 6.699 114.033 0.591 1.00 26.09 ? 324 MET A CA 1 ATOM 2537 C C . MET A 1 324 ? 6.767 114.637 -0.815 1.00 25.71 ? 324 MET A C 1 ATOM 2538 O O . MET A 1 324 ? 5.785 115.138 -1.323 1.00 24.71 ? 324 MET A O 1 ATOM 2539 C CB . MET A 1 324 ? 7.397 114.965 1.595 1.00 26.98 ? 324 MET A CB 1 ATOM 2540 C CG . MET A 1 324 ? 7.188 114.633 3.079 1.00 26.62 ? 324 MET A CG 1 ATOM 2541 S SD . MET A 1 324 ? 5.480 114.289 3.565 1.00 30.66 ? 324 MET A SD 1 ATOM 2542 C CE . MET A 1 324 ? 4.773 115.869 3.498 1.00 29.75 ? 324 MET A CE 1 ATOM 2543 N N . GLU A 1 325 ? 7.932 114.542 -1.441 1.00 26.62 ? 325 GLU A N 1 ATOM 2544 C CA . GLU A 1 325 ? 8.168 115.160 -2.755 1.00 27.53 ? 325 GLU A CA 1 ATOM 2545 C C . GLU A 1 325 ? 7.301 114.490 -3.803 1.00 26.59 ? 325 GLU A C 1 ATOM 2546 O O . GLU A 1 325 ? 6.816 115.150 -4.680 1.00 26.66 ? 325 GLU A O 1 ATOM 2547 C CB . GLU A 1 325 ? 9.669 115.073 -3.165 1.00 27.89 ? 325 GLU A CB 1 ATOM 2548 C CG . GLU A 1 325 ? 10.056 115.849 -4.444 1.00 28.94 ? 325 GLU A CG 1 ATOM 2549 C CD . GLU A 1 325 ? 10.771 115.009 -5.526 1.00 33.55 ? 325 GLU A CD 1 ATOM 2550 O OE1 . GLU A 1 325 ? 11.769 114.289 -5.181 1.00 42.87 ? 325 GLU A OE1 1 ATOM 2551 O OE2 . GLU A 1 325 ? 10.339 115.057 -6.736 1.00 40.96 ? 325 GLU A OE2 1 ATOM 2552 N N . LEU A 1 326 ? 7.068 113.182 -3.678 1.00 26.11 ? 326 LEU A N 1 ATOM 2553 C CA . LEU A 1 326 ? 6.378 112.418 -4.720 1.00 25.33 ? 326 LEU A CA 1 ATOM 2554 C C . LEU A 1 326 ? 4.865 112.339 -4.541 1.00 25.47 ? 326 LEU A C 1 ATOM 2555 O O . LEU A 1 326 ? 4.184 111.688 -5.342 1.00 26.45 ? 326 LEU A O 1 ATOM 2556 C CB . LEU A 1 326 ? 7.027 111.019 -4.884 1.00 25.11 ? 326 LEU A CB 1 ATOM 2557 C CG . LEU A 1 326 ? 8.491 111.062 -5.329 1.00 24.42 ? 326 LEU A CG 1 ATOM 2558 C CD1 . LEU A 1 326 ? 9.183 109.675 -5.272 1.00 26.29 ? 326 LEU A CD1 1 ATOM 2559 C CD2 . LEU A 1 326 ? 8.602 111.648 -6.728 1.00 23.34 ? 326 LEU A CD2 1 ATOM 2560 N N . GLY A 1 327 ? 4.326 113.030 -3.531 1.00 24.83 ? 327 GLY A N 1 ATOM 2561 C CA . GLY A 1 327 ? 2.885 113.209 -3.366 1.00 23.35 ? 327 GLY A CA 1 ATOM 2562 C C . GLY A 1 327 ? 2.376 113.078 -1.932 1.00 23.07 ? 327 GLY A C 1 ATOM 2563 O O . GLY A 1 327 ? 1.169 113.186 -1.681 1.00 23.26 ? 327 GLY A O 1 ATOM 2564 N N . ALA A 1 328 ? 3.264 112.802 -0.986 1.00 22.91 ? 328 ALA A N 1 ATOM 2565 C CA . ALA A 1 328 ? 2.905 112.741 0.426 1.00 23.03 ? 328 ALA A CA 1 ATOM 2566 C C . ALA A 1 328 ? 1.668 111.836 0.690 1.00 23.21 ? 328 ALA A C 1 ATOM 2567 O O . ALA A 1 328 ? 1.257 111.081 -0.165 1.00 22.44 ? 328 ALA A O 1 ATOM 2568 C CB . ALA A 1 328 ? 2.663 114.155 0.944 1.00 23.06 ? 328 ALA A CB 1 ATOM 2569 N N . THR A 1 329 ? 1.070 111.959 1.866 1.00 23.65 ? 329 THR A N 1 ATOM 2570 C CA . THR A 1 329 ? -0.037 111.123 2.261 1.00 23.89 ? 329 THR A CA 1 ATOM 2571 C C . THR A 1 329 ? -1.232 111.223 1.346 1.00 24.41 ? 329 THR A C 1 ATOM 2572 O O . THR A 1 329 ? -1.885 110.202 1.054 1.00 22.67 ? 329 THR A O 1 ATOM 2573 C CB . THR A 1 329 ? -0.420 111.425 3.702 1.00 23.94 ? 329 THR A CB 1 ATOM 2574 O OG1 . THR A 1 329 ? 0.701 111.121 4.541 1.00 24.60 ? 329 THR A OG1 1 ATOM 2575 C CG2 . THR A 1 329 ? -1.500 110.478 4.186 1.00 24.19 ? 329 THR A CG2 1 ATOM 2576 N N . GLN A 1 330 ? -1.545 112.431 0.899 1.00 23.87 ? 330 GLN A N 1 ATOM 2577 C CA . GLN A 1 330 ? -2.610 112.589 -0.046 1.00 24.60 ? 330 GLN A CA 1 ATOM 2578 C C . GLN A 1 330 ? -2.367 111.784 -1.329 1.00 24.08 ? 330 GLN A C 1 ATOM 2579 O O . GLN A 1 330 ? -3.272 111.183 -1.866 1.00 21.70 ? 330 GLN A O 1 ATOM 2580 C CB . GLN A 1 330 ? -2.759 114.063 -0.438 1.00 24.85 ? 330 GLN A CB 1 ATOM 2581 C CG . GLN A 1 330 ? -3.969 114.313 -1.286 1.00 25.43 ? 330 GLN A CG 1 ATOM 2582 C CD . GLN A 1 330 ? -4.272 115.802 -1.494 1.00 28.03 ? 330 GLN A CD 1 ATOM 2583 O OE1 . GLN A 1 330 ? -4.758 116.493 -0.589 1.00 36.21 ? 330 GLN A OE1 1 ATOM 2584 N NE2 . GLN A 1 330 ? -4.030 116.270 -2.704 1.00 29.12 ? 330 GLN A NE2 1 ATOM 2585 N N . GLY A 1 331 ? -1.133 111.840 -1.832 1.00 24.59 ? 331 GLY A N 1 ATOM 2586 C CA . GLY A 1 331 ? -0.728 111.080 -3.011 1.00 25.21 ? 331 GLY A CA 1 ATOM 2587 C C . GLY A 1 331 ? -0.851 109.544 -2.835 1.00 25.45 ? 331 GLY A C 1 ATOM 2588 O O . GLY A 1 331 ? -1.382 108.842 -3.709 1.00 25.59 ? 331 GLY A O 1 ATOM 2589 N N . MET A 1 332 ? -0.376 109.024 -1.709 1.00 25.27 ? 332 MET A N 1 ATOM 2590 C CA . MET A 1 332 ? -0.646 107.617 -1.362 1.00 24.68 ? 332 MET A CA 1 ATOM 2591 C C . MET A 1 332 ? -2.146 107.375 -1.464 1.00 23.94 ? 332 MET A C 1 ATOM 2592 O O . MET A 1 332 ? -2.570 106.424 -2.067 1.00 25.48 ? 332 MET A O 1 ATOM 2593 C CB . MET A 1 332 ? -0.141 107.245 0.040 1.00 24.10 ? 332 MET A CB 1 ATOM 2594 C CG . MET A 1 332 ? -0.294 105.720 0.345 1.00 26.19 ? 332 MET A CG 1 ATOM 2595 S SD . MET A 1 332 ? 1.042 104.679 -0.362 1.00 28.95 ? 332 MET A SD 1 ATOM 2596 C CE . MET A 1 332 ? 0.312 104.168 -1.951 1.00 29.46 ? 332 MET A CE 1 ATOM 2597 N N . GLY A 1 333 ? -2.951 108.257 -0.916 1.00 22.97 ? 333 GLY A N 1 ATOM 2598 C CA . GLY A 1 333 ? -4.373 108.054 -0.864 1.00 23.28 ? 333 GLY A CA 1 ATOM 2599 C C . GLY A 1 333 ? -5.050 108.074 -2.218 1.00 23.28 ? 333 GLY A C 1 ATOM 2600 O O . GLY A 1 333 ? -6.077 107.468 -2.388 1.00 21.16 ? 333 GLY A O 1 ATOM 2601 N N . GLU A 1 334 ? -4.484 108.789 -3.178 1.00 22.86 ? 334 GLU A N 1 ATOM 2602 C CA . GLU A 1 334 ? -5.099 108.792 -4.502 1.00 23.97 ? 334 GLU A CA 1 ATOM 2603 C C . GLU A 1 334 ? -4.962 107.407 -5.164 1.00 22.82 ? 334 GLU A C 1 ATOM 2604 O O . GLU A 1 334 ? -5.935 106.835 -5.639 1.00 22.35 ? 334 GLU A O 1 ATOM 2605 C CB . GLU A 1 334 ? -4.572 109.969 -5.328 1.00 23.41 ? 334 GLU A CB 1 ATOM 2606 C CG . GLU A 1 334 ? -5.426 111.194 -5.008 1.00 26.45 ? 334 GLU A CG 1 ATOM 2607 C CD . GLU A 1 334 ? -4.741 112.500 -5.217 1.00 27.84 ? 334 GLU A CD 1 ATOM 2608 O OE1 . GLU A 1 334 ? -3.560 112.473 -5.612 1.00 32.87 ? 334 GLU A OE1 1 ATOM 2609 O OE2 . GLU A 1 334 ? -5.414 113.551 -4.958 1.00 37.40 ? 334 GLU A OE2 1 ATOM 2610 N N . ALA A 1 335 ? -3.778 106.836 -5.033 1.00 22.09 ? 335 ALA A N 1 ATOM 2611 C CA . ALA A 1 335 ? -3.496 105.470 -5.435 1.00 21.85 ? 335 ALA A CA 1 ATOM 2612 C C . ALA A 1 335 ? -4.477 104.506 -4.841 1.00 20.99 ? 335 ALA A C 1 ATOM 2613 O O . ALA A 1 335 ? -5.062 103.757 -5.549 1.00 19.45 ? 335 ALA A O 1 ATOM 2614 C CB . ALA A 1 335 ? -2.120 105.100 -5.018 1.00 22.08 ? 335 ALA A CB 1 ATOM 2615 N N . LEU A 1 336 ? -4.651 104.550 -3.522 1.00 21.44 ? 336 LEU A N 1 ATOM 2616 C CA . LEU A 1 336 ? -5.579 103.660 -2.830 1.00 21.64 ? 336 LEU A CA 1 ATOM 2617 C C . LEU A 1 336 ? -7.006 103.797 -3.291 1.00 22.63 ? 336 LEU A C 1 ATOM 2618 O O . LEU A 1 336 ? -7.748 102.802 -3.342 1.00 23.22 ? 336 LEU A O 1 ATOM 2619 C CB . LEU A 1 336 ? -5.568 103.887 -1.319 1.00 21.99 ? 336 LEU A CB 1 ATOM 2620 C CG . LEU A 1 336 ? -4.275 103.800 -0.523 1.00 22.70 ? 336 LEU A CG 1 ATOM 2621 C CD1 . LEU A 1 336 ? -4.544 103.749 0.992 1.00 23.18 ? 336 LEU A CD1 1 ATOM 2622 C CD2 . LEU A 1 336 ? -3.428 102.643 -0.970 1.00 25.28 ? 336 LEU A CD2 1 ATOM 2623 N N . THR A 1 337 ? -7.413 105.032 -3.582 1.00 22.65 ? 337 THR A N 1 ATOM 2624 C CA . THR A 1 337 ? -8.753 105.299 -4.124 1.00 22.09 ? 337 THR A CA 1 ATOM 2625 C C . THR A 1 337 ? -8.930 104.786 -5.548 1.00 22.03 ? 337 THR A C 1 ATOM 2626 O O . THR A 1 337 ? -9.976 104.283 -5.880 1.00 22.93 ? 337 THR A O 1 ATOM 2627 C CB . THR A 1 337 ? -9.048 106.835 -4.045 1.00 22.34 ? 337 THR A CB 1 ATOM 2628 O OG1 . THR A 1 337 ? -9.045 107.220 -2.674 1.00 20.35 ? 337 THR A OG1 1 ATOM 2629 C CG2 . THR A 1 337 ? -10.476 107.183 -4.530 1.00 23.57 ? 337 THR A CG2 1 ATOM 2630 N N . ARG A 1 338 ? -7.913 104.917 -6.397 1.00 21.72 ? 338 ARG A N 1 ATOM 2631 C CA . ARG A 1 338 ? -8.001 104.332 -7.728 1.00 20.99 ? 338 ARG A CA 1 ATOM 2632 C C . ARG A 1 338 ? -8.159 102.778 -7.697 1.00 21.16 ? 338 ARG A C 1 ATOM 2633 O O . ARG A 1 338 ? -8.844 102.214 -8.541 1.00 21.13 ? 338 ARG A O 1 ATOM 2634 C CB . ARG A 1 338 ? -6.771 104.674 -8.483 1.00 21.05 ? 338 ARG A CB 1 ATOM 2635 C CG . ARG A 1 338 ? -6.675 106.137 -8.805 1.00 20.89 ? 338 ARG A CG 1 ATOM 2636 C CD . ARG A 1 338 ? -5.700 106.352 -9.815 1.00 23.01 ? 338 ARG A CD 1 ATOM 2637 N NE . ARG A 1 338 ? -4.333 106.116 -9.374 1.00 23.83 ? 338 ARG A NE 1 ATOM 2638 C CZ . ARG A 1 338 ? -3.510 107.044 -8.889 1.00 26.52 ? 338 ARG A CZ 1 ATOM 2639 N NH1 . ARG A 1 338 ? -3.926 108.287 -8.716 1.00 25.41 ? 338 ARG A NH1 1 ATOM 2640 N NH2 . ARG A 1 338 ? -2.242 106.727 -8.597 1.00 23.66 ? 338 ARG A NH2 1 ATOM 2641 N N . GLY A 1 339 ? -7.550 102.119 -6.711 1.00 19.64 ? 339 GLY A N 1 ATOM 2642 C CA . GLY A 1 339 ? -7.665 100.659 -6.559 1.00 19.93 ? 339 GLY A CA 1 ATOM 2643 C C . GLY A 1 339 ? -6.301 100.026 -6.546 1.00 18.94 ? 339 GLY A C 1 ATOM 2644 O O . GLY A 1 339 ? -5.444 100.391 -7.335 1.00 18.44 ? 339 GLY A O 1 ATOM 2645 N N . MET A 1 340 ? -6.093 99.085 -5.632 1.00 19.11 ? 340 MET A N 1 ATOM 2646 C CA . MET A 1 340 ? -4.783 98.442 -5.510 1.00 18.56 ? 340 MET A CA 1 ATOM 2647 C C . MET A 1 340 ? -4.943 96.951 -5.446 1.00 17.17 ? 340 MET A C 1 ATOM 2648 O O . MET A 1 340 ? -6.010 96.436 -5.090 1.00 16.70 ? 340 MET A O 1 ATOM 2649 C CB . MET A 1 340 ? -4.021 98.906 -4.263 1.00 18.78 ? 340 MET A CB 1 ATOM 2650 C CG . MET A 1 340 ? -3.905 100.381 -4.081 1.00 24.83 ? 340 MET A CG 1 ATOM 2651 S SD . MET A 1 340 ? -2.459 101.081 -4.779 1.00 32.11 ? 340 MET A SD 1 ATOM 2652 C CE . MET A 1 340 ? -1.283 100.691 -3.575 1.00 23.70 ? 340 MET A CE 1 ATOM 2653 N N . VAL A 1 341 ? -3.848 96.273 -5.786 1.00 16.90 ? 341 VAL A N 1 ATOM 2654 C CA . VAL A 1 341 ? -3.752 94.807 -5.657 1.00 16.74 ? 341 VAL A CA 1 ATOM 2655 C C . VAL A 1 341 ? -3.067 94.370 -4.370 1.00 15.79 ? 341 VAL A C 1 ATOM 2656 O O . VAL A 1 341 ? -2.080 94.982 -3.984 1.00 15.27 ? 341 VAL A O 1 ATOM 2657 C CB . VAL A 1 341 ? -2.991 94.263 -6.866 1.00 16.36 ? 341 VAL A CB 1 ATOM 2658 C CG1 . VAL A 1 341 ? -2.915 92.814 -6.799 1.00 15.44 ? 341 VAL A CG1 1 ATOM 2659 C CG2 . VAL A 1 341 ? -3.731 94.696 -8.151 1.00 17.25 ? 341 VAL A CG2 1 ATOM 2660 N N . LEU A 1 342 ? -3.588 93.313 -3.733 1.00 15.16 ? 342 LEU A N 1 ATOM 2661 C CA . LEU A 1 342 ? -3.030 92.761 -2.514 1.00 15.45 ? 342 LEU A CA 1 ATOM 2662 C C . LEU A 1 342 ? -2.009 91.691 -2.842 1.00 16.35 ? 342 LEU A C 1 ATOM 2663 O O . LEU A 1 342 ? -2.333 90.709 -3.512 1.00 16.72 ? 342 LEU A O 1 ATOM 2664 C CB . LEU A 1 342 ? -4.113 92.080 -1.685 1.00 16.13 ? 342 LEU A CB 1 ATOM 2665 C CG . LEU A 1 342 ? -3.684 91.529 -0.322 1.00 14.56 ? 342 LEU A CG 1 ATOM 2666 C CD1 . LEU A 1 342 ? -3.111 92.635 0.561 1.00 15.17 ? 342 LEU A CD1 1 ATOM 2667 C CD2 . LEU A 1 342 ? -4.840 90.972 0.285 1.00 16.22 ? 342 LEU A CD2 1 ATOM 2668 N N . ALA A 1 343 ? -0.830 91.853 -2.275 1.00 16.62 ? 343 ALA A N 1 ATOM 2669 C CA . ALA A 1 343 ? 0.245 90.934 -2.355 1.00 16.14 ? 343 ALA A CA 1 ATOM 2670 C C . ALA A 1 343 ? 0.595 90.475 -0.962 1.00 17.42 ? 343 ALA A C 1 ATOM 2671 O O . ALA A 1 343 ? 0.441 91.198 0.023 1.00 17.08 ? 343 ALA A O 1 ATOM 2672 C CB . ALA A 1 343 ? 1.410 91.575 -2.998 1.00 16.94 ? 343 ALA A CB 1 ATOM 2673 N N . MET A 1 344 ? 1.048 89.234 -0.885 1.00 17.24 ? 344 MET A N 1 ATOM 2674 C CA . MET A 1 344 ? 1.468 88.631 0.349 1.00 17.68 ? 344 MET A CA 1 ATOM 2675 C C . MET A 1 344 ? 2.671 87.744 -0.013 1.00 17.88 ? 344 MET A C 1 ATOM 2676 O O . MET A 1 344 ? 2.667 87.044 -1.054 1.00 16.16 ? 344 MET A O 1 ATOM 2677 C CB . MET A 1 344 ? 0.310 87.827 0.907 1.00 17.95 ? 344 MET A CB 1 ATOM 2678 C CG . MET A 1 344 ? -0.827 88.696 1.292 1.00 18.22 ? 344 MET A CG 1 ATOM 2679 S SD . MET A 1 344 ? -2.235 87.815 1.749 1.00 21.60 ? 344 MET A SD 1 ATOM 2680 C CE . MET A 1 344 ? -2.948 87.512 0.036 1.00 20.11 ? 344 MET A CE 1 ATOM 2681 N N . SER A 1 345 ? 3.700 87.816 0.819 1.00 16.92 ? 345 SER A N 1 ATOM 2682 C CA . SER A 1 345 ? 4.949 87.255 0.495 1.00 16.94 ? 345 SER A CA 1 ATOM 2683 C C . SER A 1 345 ? 5.756 86.951 1.774 1.00 16.88 ? 345 SER A C 1 ATOM 2684 O O . SER A 1 345 ? 5.402 87.387 2.865 1.00 14.27 ? 345 SER A O 1 ATOM 2685 C CB . SER A 1 345 ? 5.701 88.197 -0.441 1.00 17.56 ? 345 SER A CB 1 ATOM 2686 O OG . SER A 1 345 ? 6.397 89.151 0.274 1.00 17.72 ? 345 SER A OG 1 ATOM 2687 N N . ILE A 1 346 ? 6.769 86.099 1.611 1.00 15.51 ? 346 ILE A N 1 ATOM 2688 C CA . ILE A 1 346 ? 7.711 85.747 2.687 1.00 16.25 ? 346 ILE A CA 1 ATOM 2689 C C . ILE A 1 346 ? 9.084 85.706 2.012 1.00 15.95 ? 346 ILE A C 1 ATOM 2690 O O . ILE A 1 346 ? 9.294 85.022 0.996 1.00 17.07 ? 346 ILE A O 1 ATOM 2691 C CB . ILE A 1 346 ? 7.285 84.440 3.446 1.00 16.60 ? 346 ILE A CB 1 ATOM 2692 C CG1 . ILE A 1 346 ? 8.127 84.263 4.686 1.00 17.99 ? 346 ILE A CG1 1 ATOM 2693 C CG2 . ILE A 1 346 ? 7.350 83.216 2.507 1.00 16.88 ? 346 ILE A CG2 1 ATOM 2694 C CD1 . ILE A 1 346 ? 7.615 83.293 5.678 1.00 17.96 ? 346 ILE A CD1 1 ATOM 2695 N N . TRP A 1 347 ? 10.014 86.490 2.539 1.00 15.77 ? 347 TRP A N 1 ATOM 2696 C CA . TRP A 1 347 ? 11.306 86.574 1.950 1.00 16.75 ? 347 TRP A CA 1 ATOM 2697 C C . TRP A 1 347 ? 12.406 86.900 2.963 1.00 16.80 ? 347 TRP A C 1 ATOM 2698 O O . TRP A 1 347 ? 12.203 87.219 4.104 1.00 17.73 ? 347 TRP A O 1 ATOM 2699 C CB . TRP A 1 347 ? 11.249 87.561 0.755 1.00 17.64 ? 347 TRP A CB 1 ATOM 2700 C CG . TRP A 1 347 ? 10.828 88.991 1.099 1.00 19.15 ? 347 TRP A CG 1 ATOM 2701 C CD1 . TRP A 1 347 ? 9.585 89.443 1.475 1.00 20.61 ? 347 TRP A CD1 1 ATOM 2702 C CD2 . TRP A 1 347 ? 11.671 90.146 1.052 1.00 20.14 ? 347 TRP A CD2 1 ATOM 2703 N NE1 . TRP A 1 347 ? 9.628 90.806 1.691 1.00 21.35 ? 347 TRP A NE1 1 ATOM 2704 C CE2 . TRP A 1 347 ? 10.886 91.265 1.411 1.00 17.97 ? 347 TRP A CE2 1 ATOM 2705 C CE3 . TRP A 1 347 ? 13.017 90.348 0.729 1.00 21.50 ? 347 TRP A CE3 1 ATOM 2706 C CZ2 . TRP A 1 347 ? 11.411 92.569 1.491 1.00 22.41 ? 347 TRP A CZ2 1 ATOM 2707 C CZ3 . TRP A 1 347 ? 13.559 91.665 0.816 1.00 22.03 ? 347 TRP A CZ3 1 ATOM 2708 C CH2 . TRP A 1 347 ? 12.738 92.753 1.189 1.00 21.25 ? 347 TRP A CH2 1 ATOM 2709 N N . TRP A 1 348 ? 13.611 86.773 2.516 1.00 17.92 ? 348 TRP A N 1 ATOM 2710 C CA . TRP A 1 348 ? 14.748 87.187 3.304 1.00 19.12 ? 348 TRP A CA 1 ATOM 2711 C C . TRP A 1 348 ? 15.680 88.010 2.382 1.00 18.70 ? 348 TRP A C 1 ATOM 2712 O O . TRP A 1 348 ? 15.346 88.251 1.199 1.00 16.95 ? 348 TRP A O 1 ATOM 2713 C CB . TRP A 1 348 ? 15.421 85.980 3.962 1.00 17.88 ? 348 TRP A CB 1 ATOM 2714 C CG . TRP A 1 348 ? 15.995 84.945 3.058 1.00 18.97 ? 348 TRP A CG 1 ATOM 2715 C CD1 . TRP A 1 348 ? 16.329 85.061 1.747 1.00 19.41 ? 348 TRP A CD1 1 ATOM 2716 C CD2 . TRP A 1 348 ? 16.385 83.631 3.451 1.00 18.89 ? 348 TRP A CD2 1 ATOM 2717 N NE1 . TRP A 1 348 ? 16.895 83.891 1.296 1.00 19.73 ? 348 TRP A NE1 1 ATOM 2718 C CE2 . TRP A 1 348 ? 16.937 82.995 2.328 1.00 20.70 ? 348 TRP A CE2 1 ATOM 2719 C CE3 . TRP A 1 348 ? 16.293 82.919 4.636 1.00 17.14 ? 348 TRP A CE3 1 ATOM 2720 C CZ2 . TRP A 1 348 ? 17.371 81.651 2.355 1.00 19.02 ? 348 TRP A CZ2 1 ATOM 2721 C CZ3 . TRP A 1 348 ? 16.764 81.584 4.670 1.00 19.07 ? 348 TRP A CZ3 1 ATOM 2722 C CH2 . TRP A 1 348 ? 17.270 80.979 3.543 1.00 17.10 ? 348 TRP A CH2 1 ATOM 2723 N N . ASP A 1 349 ? 16.831 88.411 2.904 1.00 20.37 ? 349 ASP A N 1 ATOM 2724 C CA . ASP A 1 349 ? 17.655 89.444 2.224 1.00 22.08 ? 349 ASP A CA 1 ATOM 2725 C C . ASP A 1 349 ? 19.125 89.138 2.336 1.00 22.95 ? 349 ASP A C 1 ATOM 2726 O O . ASP A 1 349 ? 19.741 89.436 3.352 1.00 23.49 ? 349 ASP A O 1 ATOM 2727 C CB . ASP A 1 349 ? 17.347 90.808 2.870 1.00 22.03 ? 349 ASP A CB 1 ATOM 2728 C CG . ASP A 1 349 ? 18.236 91.937 2.371 1.00 22.42 ? 349 ASP A CG 1 ATOM 2729 O OD1 . ASP A 1 349 ? 18.768 91.843 1.236 1.00 20.00 ? 349 ASP A OD1 1 ATOM 2730 O OD2 . ASP A 1 349 ? 18.434 92.956 3.077 1.00 26.62 ? 349 ASP A OD2 1 ATOM 2731 N N . GLN A 1 350 ? 19.702 88.556 1.300 1.00 24.90 ? 350 GLN A N 1 ATOM 2732 C CA . GLN A 1 350 ? 21.121 88.151 1.362 1.00 27.32 ? 350 GLN A CA 1 ATOM 2733 C C . GLN A 1 350 ? 22.072 89.334 1.471 1.00 28.68 ? 350 GLN A C 1 ATOM 2734 O O . GLN A 1 350 ? 23.057 89.262 2.200 1.00 30.06 ? 350 GLN A O 1 ATOM 2735 C CB . GLN A 1 350 ? 21.518 87.312 0.138 1.00 28.71 ? 350 GLN A CB 1 ATOM 2736 C CG . GLN A 1 350 ? 20.870 85.930 0.082 1.00 32.32 ? 350 GLN A CG 1 ATOM 2737 C CD . GLN A 1 350 ? 21.730 84.805 0.706 1.00 39.40 ? 350 GLN A CD 1 ATOM 2738 O OE1 . GLN A 1 350 ? 21.323 83.599 0.699 1.00 38.34 ? 350 GLN A OE1 1 ATOM 2739 N NE2 . GLN A 1 350 ? 22.909 85.186 1.254 1.00 42.74 ? 350 GLN A NE2 1 ATOM 2740 N N . GLY A 1 351 ? 21.800 90.400 0.726 1.00 29.35 ? 351 GLY A N 1 ATOM 2741 C CA . GLY A 1 351 ? 22.635 91.598 0.790 1.00 29.89 ? 351 GLY A CA 1 ATOM 2742 C C . GLY A 1 351 ? 22.676 92.385 2.106 1.00 30.19 ? 351 GLY A C 1 ATOM 2743 O O . GLY A 1 351 ? 23.750 92.705 2.596 1.00 32.77 ? 351 GLY A O 1 ATOM 2744 N N . GLY A 1 352 ? 21.512 92.713 2.658 1.00 29.54 ? 352 GLY A N 1 ATOM 2745 C CA . GLY A 1 352 ? 21.382 93.635 3.794 1.00 28.03 ? 352 GLY A CA 1 ATOM 2746 C C . GLY A 1 352 ? 20.843 93.068 5.105 1.00 27.52 ? 352 GLY A C 1 ATOM 2747 O O . GLY A 1 352 ? 20.734 93.795 6.099 1.00 26.54 ? 352 GLY A O 1 ATOM 2748 N N . ASN A 1 353 ? 20.512 91.774 5.111 1.00 25.93 ? 353 ASN A N 1 ATOM 2749 C CA . ASN A 1 353 ? 20.005 91.077 6.298 1.00 24.89 ? 353 ASN A CA 1 ATOM 2750 C C . ASN A 1 353 ? 18.730 91.600 6.904 1.00 24.39 ? 353 ASN A C 1 ATOM 2751 O O . ASN A 1 353 ? 18.468 91.330 8.054 1.00 24.47 ? 353 ASN A O 1 ATOM 2752 C CB . ASN A 1 353 ? 21.100 91.034 7.382 1.00 25.54 ? 353 ASN A CB 1 ATOM 2753 C CG . ASN A 1 353 ? 22.310 90.236 6.962 1.00 21.30 ? 353 ASN A CG 1 ATOM 2754 O OD1 . ASN A 1 353 ? 23.314 90.205 7.667 1.00 27.28 ? 353 ASN A OD1 1 ATOM 2755 N ND2 . ASN A 1 353 ? 22.226 89.587 5.828 1.00 20.85 ? 353 ASN A ND2 1 ATOM 2756 N N . MET A 1 354 ? 17.912 92.308 6.118 1.00 24.06 ? 354 MET A N 1 ATOM 2757 C CA . MET A 1 354 ? 16.686 92.984 6.612 1.00 23.67 ? 354 MET A CA 1 ATOM 2758 C C . MET A 1 354 ? 16.904 93.923 7.807 1.00 23.50 ? 354 MET A C 1 ATOM 2759 O O . MET A 1 354 ? 16.014 94.131 8.639 1.00 23.59 ? 354 MET A O 1 ATOM 2760 C CB . MET A 1 354 ? 15.630 91.953 6.971 1.00 23.30 ? 354 MET A CB 1 ATOM 2761 C CG . MET A 1 354 ? 14.253 92.354 6.560 1.00 19.37 ? 354 MET A CG 1 ATOM 2762 S SD . MET A 1 354 ? 13.915 92.282 4.766 1.00 22.51 ? 354 MET A SD 1 ATOM 2763 C CE . MET A 1 354 ? 13.974 90.517 4.372 1.00 21.68 ? 354 MET A CE 1 ATOM 2764 N N . GLU A 1 355 ? 18.098 94.479 7.888 1.00 23.93 ? 355 GLU A N 1 ATOM 2765 C CA . GLU A 1 355 ? 18.501 95.302 9.018 1.00 25.01 ? 355 GLU A CA 1 ATOM 2766 C C . GLU A 1 355 ? 17.616 96.504 9.251 1.00 24.53 ? 355 GLU A C 1 ATOM 2767 O O . GLU A 1 355 ? 17.423 96.925 10.387 1.00 25.46 ? 355 GLU A O 1 ATOM 2768 C CB . GLU A 1 355 ? 19.939 95.786 8.825 1.00 25.56 ? 355 GLU A CB 1 ATOM 2769 C CG . GLU A 1 355 ? 21.007 94.743 9.180 1.00 27.06 ? 355 GLU A CG 1 ATOM 2770 C CD . GLU A 1 355 ? 22.385 95.343 9.172 1.00 28.05 ? 355 GLU A CD 1 ATOM 2771 O OE1 . GLU A 1 355 ? 22.447 96.592 9.038 1.00 33.50 ? 355 GLU A OE1 1 ATOM 2772 O OE2 . GLU A 1 355 ? 23.391 94.602 9.341 1.00 34.70 ? 355 GLU A OE2 1 ATOM 2773 N N . TRP A 1 356 ? 17.077 97.056 8.179 1.00 24.84 ? 356 TRP A N 1 ATOM 2774 C CA . TRP A 1 356 ? 16.143 98.188 8.259 1.00 24.84 ? 356 TRP A CA 1 ATOM 2775 C C . TRP A 1 356 ? 14.858 97.790 8.999 1.00 25.25 ? 356 TRP A C 1 ATOM 2776 O O . TRP A 1 356 ? 14.131 98.625 9.489 1.00 26.04 ? 356 TRP A O 1 ATOM 2777 C CB . TRP A 1 356 ? 15.817 98.687 6.827 1.00 24.95 ? 356 TRP A CB 1 ATOM 2778 C CG . TRP A 1 356 ? 15.134 97.647 5.933 1.00 23.59 ? 356 TRP A CG 1 ATOM 2779 C CD1 . TRP A 1 356 ? 15.736 96.821 5.020 1.00 23.62 ? 356 TRP A CD1 1 ATOM 2780 C CD2 . TRP A 1 356 ? 13.752 97.314 5.914 1.00 21.79 ? 356 TRP A CD2 1 ATOM 2781 N NE1 . TRP A 1 356 ? 14.800 96.002 4.451 1.00 24.13 ? 356 TRP A NE1 1 ATOM 2782 C CE2 . TRP A 1 356 ? 13.575 96.290 4.980 1.00 23.38 ? 356 TRP A CE2 1 ATOM 2783 C CE3 . TRP A 1 356 ? 12.626 97.797 6.580 1.00 23.51 ? 356 TRP A CE3 1 ATOM 2784 C CZ2 . TRP A 1 356 ? 12.325 95.735 4.698 1.00 22.91 ? 356 TRP A CZ2 1 ATOM 2785 C CZ3 . TRP A 1 356 ? 11.380 97.210 6.309 1.00 23.84 ? 356 TRP A CZ3 1 ATOM 2786 C CH2 . TRP A 1 356 ? 11.250 96.199 5.384 1.00 22.67 ? 356 TRP A CH2 1 ATOM 2787 N N . LEU A 1 357 ? 14.559 96.493 9.087 1.00 24.87 ? 357 LEU A N 1 ATOM 2788 C CA . LEU A 1 357 ? 13.296 96.080 9.689 1.00 24.23 ? 357 LEU A CA 1 ATOM 2789 C C . LEU A 1 357 ? 13.397 95.822 11.185 1.00 24.27 ? 357 LEU A C 1 ATOM 2790 O O . LEU A 1 357 ? 12.439 96.063 11.925 1.00 24.36 ? 357 LEU A O 1 ATOM 2791 C CB . LEU A 1 357 ? 12.768 94.829 9.002 1.00 24.46 ? 357 LEU A CB 1 ATOM 2792 C CG . LEU A 1 357 ? 11.607 94.131 9.716 1.00 24.49 ? 357 LEU A CG 1 ATOM 2793 C CD1 . LEU A 1 357 ? 10.426 95.020 9.790 1.00 24.94 ? 357 LEU A CD1 1 ATOM 2794 C CD2 . LEU A 1 357 ? 11.318 92.859 9.017 1.00 25.51 ? 357 LEU A CD2 1 ATOM 2795 N N . ASP A 1 358 ? 14.534 95.310 11.639 1.00 23.78 ? 358 ASP A N 1 ATOM 2796 C CA . ASP A 1 358 ? 14.637 94.794 13.013 1.00 24.41 ? 358 ASP A CA 1 ATOM 2797 C C . ASP A 1 358 ? 16.011 94.939 13.669 1.00 23.61 ? 358 ASP A C 1 ATOM 2798 O O . ASP A 1 358 ? 16.238 94.373 14.701 1.00 23.33 ? 358 ASP A O 1 ATOM 2799 C CB . ASP A 1 358 ? 14.189 93.312 13.083 1.00 23.31 ? 358 ASP A CB 1 ATOM 2800 C CG . ASP A 1 358 ? 14.960 92.411 12.129 1.00 25.82 ? 358 ASP A CG 1 ATOM 2801 O OD1 . ASP A 1 358 ? 16.116 92.760 11.790 1.00 25.33 ? 358 ASP A OD1 1 ATOM 2802 O OD2 . ASP A 1 358 ? 14.465 91.332 11.645 1.00 24.66 ? 358 ASP A OD2 1 ATOM 2803 N N . HIS A 1 359 ? 16.919 95.685 13.086 1.00 24.84 ? 359 HIS A N 1 ATOM 2804 C CA . HIS A 1 359 ? 18.264 95.808 13.663 1.00 25.45 ? 359 HIS A CA 1 ATOM 2805 C C . HIS A 1 359 ? 18.486 97.256 14.039 1.00 26.03 ? 359 HIS A C 1 ATOM 2806 O O . HIS A 1 359 ? 17.894 98.153 13.436 1.00 26.66 ? 359 HIS A O 1 ATOM 2807 C CB . HIS A 1 359 ? 19.296 95.316 12.666 1.00 24.94 ? 359 HIS A CB 1 ATOM 2808 C CG . HIS A 1 359 ? 20.680 95.776 12.942 1.00 26.23 ? 359 HIS A CG 1 ATOM 2809 N ND1 . HIS A 1 359 ? 21.421 95.294 13.993 1.00 27.17 ? 359 HIS A ND1 1 ATOM 2810 C CD2 . HIS A 1 359 ? 21.466 96.677 12.298 1.00 27.75 ? 359 HIS A CD2 1 ATOM 2811 C CE1 . HIS A 1 359 ? 22.607 95.890 13.989 1.00 29.54 ? 359 HIS A CE1 1 ATOM 2812 N NE2 . HIS A 1 359 ? 22.663 96.724 12.967 1.00 26.59 ? 359 HIS A NE2 1 ATOM 2813 N N . GLY A 1 360 ? 19.273 97.446 15.095 1.00 27.28 ? 360 GLY A N 1 ATOM 2814 C CA . GLY A 1 360 ? 19.864 98.724 15.446 1.00 27.50 ? 360 GLY A CA 1 ATOM 2815 C C . GLY A 1 360 ? 18.754 99.653 15.880 1.00 28.03 ? 360 GLY A C 1 ATOM 2816 O O . GLY A 1 360 ? 18.078 99.423 16.862 1.00 28.18 ? 360 GLY A O 1 ATOM 2817 N N . GLU A 1 361 ? 18.560 100.697 15.112 1.00 28.56 ? 361 GLU A N 1 ATOM 2818 C CA . GLU A 1 361 ? 17.462 101.657 15.331 1.00 29.69 ? 361 GLU A CA 1 ATOM 2819 C C . GLU A 1 361 ? 16.025 101.061 15.232 1.00 29.21 ? 361 GLU A C 1 ATOM 2820 O O . GLU A 1 361 ? 15.061 101.624 15.723 1.00 29.31 ? 361 GLU A O 1 ATOM 2821 C CB . GLU A 1 361 ? 17.692 102.865 14.356 1.00 31.27 ? 361 GLU A CB 1 ATOM 2822 C CG . GLU A 1 361 ? 18.072 102.570 12.848 1.00 34.38 ? 361 GLU A CG 1 ATOM 2823 C CD . GLU A 1 361 ? 19.010 101.348 12.486 1.00 38.73 ? 361 GLU A CD 1 ATOM 2824 O OE1 . GLU A 1 361 ? 20.042 101.104 13.171 1.00 41.94 ? 361 GLU A OE1 1 ATOM 2825 O OE2 . GLU A 1 361 ? 18.743 100.620 11.461 1.00 39.08 ? 361 GLU A OE2 1 ATOM 2826 N N . ALA A 1 362 ? 15.893 99.897 14.600 1.00 29.43 ? 362 ALA A N 1 ATOM 2827 C CA . ALA A 1 362 ? 14.589 99.327 14.287 1.00 28.59 ? 362 ALA A CA 1 ATOM 2828 C C . ALA A 1 362 ? 14.234 98.086 15.070 1.00 28.11 ? 362 ALA A C 1 ATOM 2829 O O . ALA A 1 362 ? 13.128 97.585 14.954 1.00 29.05 ? 362 ALA A O 1 ATOM 2830 C CB . ALA A 1 362 ? 14.516 99.038 12.802 1.00 28.88 ? 362 ALA A CB 1 ATOM 2831 N N . GLY A 1 363 ? 15.129 97.558 15.884 1.00 28.44 ? 363 GLY A N 1 ATOM 2832 C CA . GLY A 1 363 ? 14.767 96.353 16.646 1.00 28.02 ? 363 GLY A CA 1 ATOM 2833 C C . GLY A 1 363 ? 15.882 95.808 17.502 1.00 27.54 ? 363 GLY A C 1 ATOM 2834 O O . GLY A 1 363 ? 16.925 96.423 17.585 1.00 26.86 ? 363 GLY A O 1 ATOM 2835 N N . PRO A 1 364 ? 15.661 94.637 18.107 1.00 27.46 ? 364 PRO A N 1 ATOM 2836 C CA . PRO A 1 364 ? 16.585 94.048 19.035 1.00 28.29 ? 364 PRO A CA 1 ATOM 2837 C C . PRO A 1 364 ? 17.585 93.049 18.421 1.00 29.58 ? 364 PRO A C 1 ATOM 2838 O O . PRO A 1 364 ? 18.249 92.312 19.120 1.00 29.04 ? 364 PRO A O 1 ATOM 2839 C CB . PRO A 1 364 ? 15.625 93.335 19.979 1.00 27.51 ? 364 PRO A CB 1 ATOM 2840 C CG . PRO A 1 364 ? 14.586 92.809 19.084 1.00 26.50 ? 364 PRO A CG 1 ATOM 2841 C CD . PRO A 1 364 ? 14.436 93.827 18.028 1.00 27.52 ? 364 PRO A CD 1 ATOM 2842 N N . CYS A 1 365 ? 17.722 93.045 17.113 1.00 30.87 ? 365 CYS A N 1 ATOM 2843 C CA . CYS A 1 365 ? 18.510 92.036 16.470 1.00 30.97 ? 365 CYS A CA 1 ATOM 2844 C C . CYS A 1 365 ? 19.961 92.426 16.258 1.00 31.57 ? 365 CYS A C 1 ATOM 2845 O O . CYS A 1 365 ? 20.278 93.568 15.905 1.00 32.82 ? 365 CYS A O 1 ATOM 2846 C CB . CYS A 1 365 ? 17.925 91.782 15.130 1.00 31.80 ? 365 CYS A CB 1 ATOM 2847 S SG . CYS A 1 365 ? 16.385 90.844 15.040 1.00 33.81 ? 365 CYS A SG 1 ATOM 2848 N N . ALA A 1 366 ? 20.851 91.459 16.446 1.00 31.72 ? 366 ALA A N 1 ATOM 2849 C CA . ALA A 1 366 ? 22.274 91.723 16.366 1.00 31.68 ? 366 ALA A CA 1 ATOM 2850 C C . ALA A 1 366 ? 22.734 91.753 14.921 1.00 31.77 ? 366 ALA A C 1 ATOM 2851 O O . ALA A 1 366 ? 22.103 91.192 14.026 1.00 31.52 ? 366 ALA A O 1 ATOM 2852 C CB . ALA A 1 366 ? 23.030 90.674 17.114 1.00 32.49 ? 366 ALA A CB 1 ATOM 2853 N N . LYS A 1 367 ? 23.827 92.465 14.708 1.00 31.92 ? 367 LYS A N 1 ATOM 2854 C CA . LYS A 1 367 ? 24.588 92.400 13.477 1.00 31.53 ? 367 LYS A CA 1 ATOM 2855 C C . LYS A 1 367 ? 24.887 90.907 13.128 1.00 30.93 ? 367 LYS A C 1 ATOM 2856 O O . LYS A 1 367 ? 25.428 90.155 13.940 1.00 30.10 ? 367 LYS A O 1 ATOM 2857 C CB . LYS A 1 367 ? 25.912 93.176 13.691 1.00 32.46 ? 367 LYS A CB 1 ATOM 2858 C CG . LYS A 1 367 ? 26.782 93.407 12.447 1.00 33.24 ? 367 LYS A CG 1 ATOM 2859 C CD . LYS A 1 367 ? 25.990 94.148 11.420 1.00 37.21 ? 367 LYS A CD 1 ATOM 2860 C CE . LYS A 1 367 ? 26.814 95.185 10.660 1.00 38.64 ? 367 LYS A CE 1 ATOM 2861 N NZ . LYS A 1 367 ? 25.962 95.837 9.563 1.00 39.53 ? 367 LYS A NZ 1 ATOM 2862 N N . GLY A 1 368 ? 24.530 90.479 11.922 1.00 30.50 ? 368 GLY A N 1 ATOM 2863 C CA . GLY A 1 368 ? 24.734 89.081 11.515 1.00 29.56 ? 368 GLY A CA 1 ATOM 2864 C C . GLY A 1 368 ? 23.538 88.197 11.791 1.00 28.72 ? 368 GLY A C 1 ATOM 2865 O O . GLY A 1 368 ? 23.378 87.133 11.165 1.00 29.08 ? 368 GLY A O 1 ATOM 2866 N N . GLU A 1 369 ? 22.682 88.618 12.708 1.00 27.42 ? 369 GLU A N 1 ATOM 2867 C CA . GLU A 1 369 ? 21.599 87.740 13.147 1.00 27.16 ? 369 GLU A CA 1 ATOM 2868 C C . GLU A 1 369 ? 20.562 87.414 12.053 1.00 26.66 ? 369 GLU A C 1 ATOM 2869 O O . GLU A 1 369 ? 19.980 86.298 12.046 1.00 25.54 ? 369 GLU A O 1 ATOM 2870 C CB . GLU A 1 369 ? 20.897 88.309 14.368 1.00 27.14 ? 369 GLU A CB 1 ATOM 2871 C CG . GLU A 1 369 ? 20.188 87.214 15.160 1.00 28.20 ? 369 GLU A CG 1 ATOM 2872 C CD . GLU A 1 369 ? 19.581 87.675 16.471 1.00 29.03 ? 369 GLU A CD 1 ATOM 2873 O OE1 . GLU A 1 369 ? 19.998 88.746 17.045 1.00 32.21 ? 369 GLU A OE1 1 ATOM 2874 O OE2 . GLU A 1 369 ? 18.649 86.960 16.913 1.00 30.60 ? 369 GLU A OE2 1 ATOM 2875 N N . GLY A 1 370 ? 20.300 88.388 11.165 1.00 25.27 ? 370 GLY A N 1 ATOM 2876 C CA . GLY A 1 370 ? 19.314 88.208 10.110 1.00 24.59 ? 370 GLY A CA 1 ATOM 2877 C C . GLY A 1 370 ? 19.901 87.746 8.789 1.00 23.29 ? 370 GLY A C 1 ATOM 2878 O O . GLY A 1 370 ? 19.225 87.747 7.784 1.00 24.22 ? 370 GLY A O 1 ATOM 2879 N N . ALA A 1 371 ? 21.153 87.365 8.745 1.00 22.25 ? 371 ALA A N 1 ATOM 2880 C CA . ALA A 1 371 ? 21.684 86.817 7.499 1.00 22.30 ? 371 ALA A CA 1 ATOM 2881 C C . ALA A 1 371 ? 20.961 85.498 7.266 1.00 21.79 ? 371 ALA A C 1 ATOM 2882 O O . ALA A 1 371 ? 20.663 84.788 8.252 1.00 22.88 ? 371 ALA A O 1 ATOM 2883 C CB . ALA A 1 371 ? 23.219 86.601 7.586 1.00 22.51 ? 371 ALA A CB 1 ATOM 2884 N N . PRO A 1 372 ? 20.614 85.186 6.010 1.00 21.24 ? 372 PRO A N 1 ATOM 2885 C CA . PRO A 1 372 ? 20.087 83.854 5.633 1.00 21.58 ? 372 PRO A CA 1 ATOM 2886 C C . PRO A 1 372 ? 20.836 82.628 6.176 1.00 21.45 ? 372 PRO A C 1 ATOM 2887 O O . PRO A 1 372 ? 20.209 81.681 6.626 1.00 20.97 ? 372 PRO A O 1 ATOM 2888 C CB . PRO A 1 372 ? 20.121 83.905 4.118 1.00 20.91 ? 372 PRO A CB 1 ATOM 2889 C CG . PRO A 1 372 ? 19.812 85.402 3.847 1.00 20.59 ? 372 PRO A CG 1 ATOM 2890 C CD . PRO A 1 372 ? 20.606 86.101 4.860 1.00 21.19 ? 372 PRO A CD 1 ATOM 2891 N N . SER A 1 373 ? 22.158 82.691 6.224 1.00 22.62 ? 373 SER A N 1 ATOM 2892 C CA . SER A 1 373 ? 22.951 81.630 6.834 1.00 23.70 ? 373 SER A CA 1 ATOM 2893 C C . SER A 1 373 ? 22.676 81.468 8.332 1.00 24.60 ? 373 SER A C 1 ATOM 2894 O O . SER A 1 373 ? 22.784 80.370 8.852 1.00 25.62 ? 373 SER A O 1 ATOM 2895 C CB . SER A 1 373 ? 24.438 81.892 6.595 1.00 24.00 ? 373 SER A CB 1 ATOM 2896 O OG . SER A 1 373 ? 24.753 83.121 7.193 1.00 26.86 ? 373 SER A OG 1 ATOM 2897 N N . ASN A 1 374 ? 22.288 82.546 9.027 1.00 24.39 ? 374 ASN A N 1 ATOM 2898 C CA . ASN A 1 374 ? 21.918 82.427 10.431 1.00 23.24 ? 374 ASN A CA 1 ATOM 2899 C C . ASN A 1 374 ? 20.426 82.083 10.645 1.00 22.58 ? 374 ASN A C 1 ATOM 2900 O O . ASN A 1 374 ? 20.078 81.301 11.517 1.00 21.84 ? 374 ASN A O 1 ATOM 2901 C CB . ASN A 1 374 ? 22.272 83.680 11.250 1.00 23.73 ? 374 ASN A CB 1 ATOM 2902 C CG . ASN A 1 374 ? 22.248 83.387 12.737 1.00 25.25 ? 374 ASN A CG 1 ATOM 2903 O OD1 . ASN A 1 374 ? 23.035 82.539 13.214 1.00 29.00 ? 374 ASN A OD1 1 ATOM 2904 N ND2 . ASN A 1 374 ? 21.318 83.996 13.470 1.00 24.24 ? 374 ASN A ND2 1 ATOM 2905 N N . ILE A 1 375 ? 19.546 82.677 9.839 1.00 22.05 ? 375 ILE A N 1 ATOM 2906 C CA . ILE A 1 375 ? 18.125 82.354 9.926 1.00 20.97 ? 375 ILE A CA 1 ATOM 2907 C C . ILE A 1 375 ? 17.881 80.819 9.995 1.00 20.63 ? 375 ILE A C 1 ATOM 2908 O O . ILE A 1 375 ? 17.149 80.336 10.850 1.00 18.53 ? 375 ILE A O 1 ATOM 2909 C CB . ILE A 1 375 ? 17.363 82.998 8.748 1.00 20.49 ? 375 ILE A CB 1 ATOM 2910 C CG1 . ILE A 1 375 ? 17.249 84.531 8.935 1.00 19.45 ? 375 ILE A CG1 1 ATOM 2911 C CG2 . ILE A 1 375 ? 15.959 82.408 8.647 1.00 20.11 ? 375 ILE A CG2 1 ATOM 2912 C CD1 . ILE A 1 375 ? 16.928 85.295 7.641 1.00 19.41 ? 375 ILE A CD1 1 ATOM 2913 N N . VAL A 1 376 ? 18.451 80.075 9.054 1.00 20.72 ? 376 VAL A N 1 ATOM 2914 C CA . VAL A 1 376 ? 18.215 78.642 9.008 1.00 21.92 ? 376 VAL A CA 1 ATOM 2915 C C . VAL A 1 376 ? 18.767 77.891 10.221 1.00 21.79 ? 376 VAL A C 1 ATOM 2916 O O . VAL A 1 376 ? 18.403 76.725 10.461 1.00 22.65 ? 376 VAL A O 1 ATOM 2917 C CB . VAL A 1 376 ? 18.646 78.024 7.683 1.00 21.58 ? 376 VAL A CB 1 ATOM 2918 C CG1 . VAL A 1 376 ? 17.896 78.737 6.522 1.00 22.86 ? 376 VAL A CG1 1 ATOM 2919 C CG2 . VAL A 1 376 ? 20.186 78.073 7.468 1.00 23.73 ? 376 VAL A CG2 1 ATOM 2920 N N . GLN A 1 377 ? 19.632 78.556 10.993 1.00 22.46 ? 377 GLN A N 1 ATOM 2921 C CA . GLN A 1 377 ? 20.175 77.978 12.243 1.00 23.47 ? 377 GLN A CA 1 ATOM 2922 C C . GLN A 1 377 ? 19.326 78.371 13.473 1.00 23.52 ? 377 GLN A C 1 ATOM 2923 O O . GLN A 1 377 ? 19.629 77.953 14.591 1.00 23.93 ? 377 GLN A O 1 ATOM 2924 C CB . GLN A 1 377 ? 21.647 78.375 12.479 1.00 24.88 ? 377 GLN A CB 1 ATOM 2925 C CG . GLN A 1 377 ? 22.644 78.063 11.351 1.00 28.57 ? 377 GLN A CG 1 ATOM 2926 C CD . GLN A 1 377 ? 22.913 76.594 11.156 1.00 31.68 ? 377 GLN A CD 1 ATOM 2927 O OE1 . GLN A 1 377 ? 23.243 75.912 12.102 1.00 34.79 ? 377 GLN A OE1 1 ATOM 2928 N NE2 . GLN A 1 377 ? 22.830 76.117 9.911 1.00 32.72 ? 377 GLN A NE2 1 ATOM 2929 N N . VAL A 1 378 ? 18.259 79.147 13.248 1.00 22.95 ? 378 VAL A N 1 ATOM 2930 C CA . VAL A 1 378 ? 17.369 79.635 14.290 1.00 21.94 ? 378 VAL A CA 1 ATOM 2931 C C . VAL A 1 378 ? 16.016 79.015 14.050 1.00 21.83 ? 378 VAL A C 1 ATOM 2932 O O . VAL A 1 378 ? 15.483 78.370 14.949 1.00 23.24 ? 378 VAL A O 1 ATOM 2933 C CB . VAL A 1 378 ? 17.277 81.162 14.266 1.00 21.74 ? 378 VAL A CB 1 ATOM 2934 C CG1 . VAL A 1 378 ? 16.178 81.663 15.211 1.00 20.91 ? 378 VAL A CG1 1 ATOM 2935 C CG2 . VAL A 1 378 ? 18.653 81.788 14.619 1.00 21.47 ? 378 VAL A CG2 1 ATOM 2936 N N . GLU A 1 379 ? 15.486 79.160 12.838 1.00 21.01 ? 379 GLU A N 1 ATOM 2937 C CA . GLU A 1 379 ? 14.210 78.589 12.474 1.00 21.46 ? 379 GLU A CA 1 ATOM 2938 C C . GLU A 1 379 ? 14.404 77.931 11.117 1.00 21.67 ? 379 GLU A C 1 ATOM 2939 O O . GLU A 1 379 ? 14.419 78.598 10.112 1.00 21.68 ? 379 GLU A O 1 ATOM 2940 C CB A GLU A 1 379 ? 13.101 79.661 12.415 0.50 22.04 ? 379 GLU A CB 1 ATOM 2941 C CB B GLU A 1 379 ? 13.133 79.711 12.418 0.50 21.72 ? 379 GLU A CB 1 ATOM 2942 C CG A GLU A 1 379 ? 11.748 79.150 11.939 0.50 22.20 ? 379 GLU A CG 1 ATOM 2943 C CG B GLU A 1 379 ? 11.671 79.286 12.539 0.50 21.17 ? 379 GLU A CG 1 ATOM 2944 C CD A GLU A 1 379 ? 11.527 77.669 12.263 0.50 25.62 ? 379 GLU A CD 1 ATOM 2945 C CD B GLU A 1 379 ? 11.276 78.853 13.946 0.50 21.36 ? 379 GLU A CD 1 ATOM 2946 O OE1 A GLU A 1 379 ? 11.431 77.339 13.458 0.50 27.29 ? 379 GLU A OE1 1 ATOM 2947 O OE1 B GLU A 1 379 ? 11.026 77.657 14.158 0.50 23.11 ? 379 GLU A OE1 1 ATOM 2948 O OE2 A GLU A 1 379 ? 11.442 76.828 11.331 0.50 28.51 ? 379 GLU A OE2 1 ATOM 2949 O OE2 B GLU A 1 379 ? 11.212 79.691 14.860 0.50 23.99 ? 379 GLU A OE2 1 ATOM 2950 N N . PRO A 1 380 ? 14.613 76.612 11.082 1.00 21.31 ? 380 PRO A N 1 ATOM 2951 C CA . PRO A 1 380 ? 14.852 75.915 9.835 1.00 20.58 ? 380 PRO A CA 1 ATOM 2952 C C . PRO A 1 380 ? 13.769 76.099 8.764 1.00 20.20 ? 380 PRO A C 1 ATOM 2953 O O . PRO A 1 380 ? 14.055 76.089 7.567 1.00 20.71 ? 380 PRO A O 1 ATOM 2954 C CB . PRO A 1 380 ? 14.939 74.455 10.304 1.00 21.16 ? 380 PRO A CB 1 ATOM 2955 C CG . PRO A 1 380 ? 15.472 74.552 11.674 1.00 20.96 ? 380 PRO A CG 1 ATOM 2956 C CD . PRO A 1 380 ? 14.705 75.705 12.236 1.00 21.39 ? 380 PRO A CD 1 ATOM 2957 N N . PHE A 1 381 ? 12.519 76.237 9.191 1.00 19.52 ? 381 PHE A N 1 ATOM 2958 C CA . PHE A 1 381 ? 11.432 76.337 8.259 1.00 19.49 ? 381 PHE A CA 1 ATOM 2959 C C . PHE A 1 381 ? 10.596 77.596 8.578 1.00 18.20 ? 381 PHE A C 1 ATOM 2960 O O . PHE A 1 381 ? 9.579 77.502 9.184 1.00 16.57 ? 381 PHE A O 1 ATOM 2961 C CB . PHE A 1 381 ? 10.602 75.047 8.341 1.00 20.13 ? 381 PHE A CB 1 ATOM 2962 C CG . PHE A 1 381 ? 11.421 73.811 8.052 1.00 20.48 ? 381 PHE A CG 1 ATOM 2963 C CD1 . PHE A 1 381 ? 11.943 73.592 6.766 1.00 21.96 ? 381 PHE A CD1 1 ATOM 2964 C CD2 . PHE A 1 381 ? 11.739 72.920 9.067 1.00 22.18 ? 381 PHE A CD2 1 ATOM 2965 C CE1 . PHE A 1 381 ? 12.762 72.486 6.489 1.00 21.47 ? 381 PHE A CE1 1 ATOM 2966 C CE2 . PHE A 1 381 ? 12.515 71.755 8.810 1.00 22.00 ? 381 PHE A CE2 1 ATOM 2967 C CZ . PHE A 1 381 ? 13.033 71.548 7.537 1.00 21.01 ? 381 PHE A CZ 1 ATOM 2968 N N . PRO A 1 382 ? 11.047 78.768 8.188 1.00 17.64 ? 382 PRO A N 1 ATOM 2969 C CA . PRO A 1 382 ? 10.235 79.969 8.389 1.00 18.08 ? 382 PRO A CA 1 ATOM 2970 C C . PRO A 1 382 ? 8.939 79.879 7.623 1.00 17.29 ? 382 PRO A C 1 ATOM 2971 O O . PRO A 1 382 ? 8.912 79.415 6.477 1.00 16.90 ? 382 PRO A O 1 ATOM 2972 C CB . PRO A 1 382 ? 11.109 81.061 7.837 1.00 17.35 ? 382 PRO A CB 1 ATOM 2973 C CG . PRO A 1 382 ? 12.473 80.507 7.972 1.00 18.35 ? 382 PRO A CG 1 ATOM 2974 C CD . PRO A 1 382 ? 12.304 79.079 7.524 1.00 17.04 ? 382 PRO A CD 1 ATOM 2975 N N . GLU A 1 383 ? 7.861 80.258 8.269 1.00 17.94 ? 383 GLU A N 1 ATOM 2976 C CA . GLU A 1 383 ? 6.582 80.367 7.573 1.00 18.17 ? 383 GLU A CA 1 ATOM 2977 C C . GLU A 1 383 ? 5.690 81.384 8.229 1.00 17.24 ? 383 GLU A C 1 ATOM 2978 O O . GLU A 1 383 ? 5.896 81.740 9.373 1.00 17.44 ? 383 GLU A O 1 ATOM 2979 C CB . GLU A 1 383 ? 5.897 78.998 7.577 1.00 18.73 ? 383 GLU A CB 1 ATOM 2980 C CG . GLU A 1 383 ? 5.549 78.497 8.956 1.00 19.57 ? 383 GLU A CG 1 ATOM 2981 C CD . GLU A 1 383 ? 4.729 77.251 8.906 1.00 21.94 ? 383 GLU A CD 1 ATOM 2982 O OE1 . GLU A 1 383 ? 3.480 77.332 8.724 1.00 28.47 ? 383 GLU A OE1 1 ATOM 2983 O OE2 . GLU A 1 383 ? 5.346 76.165 9.019 1.00 27.33 ? 383 GLU A OE2 1 ATOM 2984 N N . VAL A 1 384 ? 4.668 81.851 7.506 1.00 17.56 ? 384 VAL A N 1 ATOM 2985 C CA . VAL A 1 384 ? 3.638 82.700 8.103 1.00 15.78 ? 384 VAL A CA 1 ATOM 2986 C C . VAL A 1 384 ? 2.262 82.197 7.687 1.00 15.24 ? 384 VAL A C 1 ATOM 2987 O O . VAL A 1 384 ? 2.096 81.643 6.630 1.00 15.44 ? 384 VAL A O 1 ATOM 2988 C CB . VAL A 1 384 ? 3.796 84.173 7.685 1.00 15.79 ? 384 VAL A CB 1 ATOM 2989 C CG1 . VAL A 1 384 ? 3.633 84.350 6.189 1.00 13.36 ? 384 VAL A CG1 1 ATOM 2990 C CG2 . VAL A 1 384 ? 2.785 85.042 8.469 1.00 16.29 ? 384 VAL A CG2 1 ATOM 2991 N N . THR A 1 385 ? 1.271 82.370 8.539 1.00 14.71 ? 385 THR A N 1 ATOM 2992 C CA . THR A 1 385 ? -0.098 82.110 8.154 1.00 16.14 ? 385 THR A CA 1 ATOM 2993 C C . THR A 1 385 ? -0.931 83.426 8.347 1.00 16.27 ? 385 THR A C 1 ATOM 2994 O O . THR A 1 385 ? -0.994 83.926 9.422 1.00 15.37 ? 385 THR A O 1 ATOM 2995 C CB . THR A 1 385 ? -0.659 81.058 9.019 1.00 15.84 ? 385 THR A CB 1 ATOM 2996 O OG1 . THR A 1 385 ? 0.014 79.819 8.796 1.00 19.50 ? 385 THR A OG1 1 ATOM 2997 C CG2 . THR A 1 385 ? -2.106 80.808 8.669 1.00 18.00 ? 385 THR A CG2 1 ATOM 2998 N N . TYR A 1 386 ? -1.554 83.937 7.296 1.00 17.03 ? 386 TYR A N 1 ATOM 2999 C CA . TYR A 1 386 ? -2.542 85.016 7.402 1.00 17.46 ? 386 TYR A CA 1 ATOM 3000 C C . TYR A 1 386 ? -3.929 84.359 7.306 1.00 18.51 ? 386 TYR A C 1 ATOM 3001 O O . TYR A 1 386 ? -4.133 83.454 6.503 1.00 17.96 ? 386 TYR A O 1 ATOM 3002 C CB . TYR A 1 386 ? -2.364 85.998 6.244 1.00 16.90 ? 386 TYR A CB 1 ATOM 3003 C CG . TYR A 1 386 ? -0.971 86.583 6.048 1.00 17.12 ? 386 TYR A CG 1 ATOM 3004 C CD1 . TYR A 1 386 ? -0.402 87.388 6.985 1.00 18.91 ? 386 TYR A CD1 1 ATOM 3005 C CD2 . TYR A 1 386 ? -0.276 86.409 4.891 1.00 18.59 ? 386 TYR A CD2 1 ATOM 3006 C CE1 . TYR A 1 386 ? 0.828 87.988 6.792 1.00 18.94 ? 386 TYR A CE1 1 ATOM 3007 C CE2 . TYR A 1 386 ? 1.000 87.005 4.705 1.00 17.39 ? 386 TYR A CE2 1 ATOM 3008 C CZ . TYR A 1 386 ? 1.503 87.799 5.657 1.00 16.01 ? 386 TYR A CZ 1 ATOM 3009 O OH . TYR A 1 386 ? 2.705 88.415 5.497 1.00 20.65 ? 386 TYR A OH 1 ATOM 3010 N N . THR A 1 387 ? -4.865 84.843 8.101 1.00 18.27 ? 387 THR A N 1 ATOM 3011 C CA . THR A 1 387 ? -6.191 84.280 8.247 1.00 19.17 ? 387 THR A CA 1 ATOM 3012 C C . THR A 1 387 ? -7.255 85.381 8.358 1.00 19.30 ? 387 THR A C 1 ATOM 3013 O O . THR A 1 387 ? -6.978 86.444 8.894 1.00 21.67 ? 387 THR A O 1 ATOM 3014 C CB . THR A 1 387 ? -6.173 83.465 9.546 1.00 19.59 ? 387 THR A CB 1 ATOM 3015 O OG1 . THR A 1 387 ? -5.182 82.446 9.447 1.00 22.21 ? 387 THR A OG1 1 ATOM 3016 C CG2 . THR A 1 387 ? -7.475 82.718 9.803 1.00 20.18 ? 387 THR A CG2 1 ATOM 3017 N N . ASN A 1 388 ? -8.460 85.113 7.878 1.00 19.43 ? 388 ASN A N 1 ATOM 3018 C CA . ASN A 1 388 ? -9.570 86.029 7.943 1.00 19.23 ? 388 ASN A CA 1 ATOM 3019 C C . ASN A 1 388 ? -9.230 87.401 7.439 1.00 19.48 ? 388 ASN A C 1 ATOM 3020 O O . ASN A 1 388 ? -9.389 88.381 8.178 1.00 19.62 ? 388 ASN A O 1 ATOM 3021 C CB . ASN A 1 388 ? -10.088 86.138 9.366 1.00 19.93 ? 388 ASN A CB 1 ATOM 3022 C CG . ASN A 1 388 ? -10.718 84.849 9.871 1.00 19.68 ? 388 ASN A CG 1 ATOM 3023 O OD1 . ASN A 1 388 ? -11.249 84.063 9.108 1.00 19.37 ? 388 ASN A OD1 1 ATOM 3024 N ND2 . ASN A 1 388 ? -10.643 84.637 11.177 1.00 22.71 ? 388 ASN A ND2 1 ATOM 3025 N N . LEU A 1 389 ? -8.769 87.504 6.185 1.00 20.36 ? 389 LEU A N 1 ATOM 3026 C CA . LEU A 1 389 ? -8.482 88.837 5.582 1.00 20.59 ? 389 LEU A CA 1 ATOM 3027 C C . LEU A 1 389 ? -9.826 89.504 5.413 1.00 21.09 ? 389 LEU A C 1 ATOM 3028 O O . LEU A 1 389 ? -10.758 88.875 4.953 1.00 19.74 ? 389 LEU A O 1 ATOM 3029 C CB . LEU A 1 389 ? -7.857 88.731 4.201 1.00 21.35 ? 389 LEU A CB 1 ATOM 3030 C CG . LEU A 1 389 ? -6.629 87.849 4.061 1.00 21.45 ? 389 LEU A CG 1 ATOM 3031 C CD1 . LEU A 1 389 ? -6.056 88.123 2.709 1.00 22.84 ? 389 LEU A CD1 1 ATOM 3032 C CD2 . LEU A 1 389 ? -5.618 88.095 5.135 1.00 21.35 ? 389 LEU A CD2 1 ATOM 3033 N N . ARG A 1 390 ? -9.944 90.750 5.853 1.00 21.32 ? 390 ARG A N 1 ATOM 3034 C CA . ARG A 1 390 ? -11.238 91.408 5.848 1.00 21.41 ? 390 ARG A CA 1 ATOM 3035 C C . ARG A 1 390 ? -11.042 92.890 5.858 1.00 21.82 ? 390 ARG A C 1 ATOM 3036 O O . ARG A 1 390 ? -10.076 93.398 6.462 1.00 21.36 ? 390 ARG A O 1 ATOM 3037 C CB . ARG A 1 390 ? -12.091 90.964 7.025 1.00 21.80 ? 390 ARG A CB 1 ATOM 3038 C CG . ARG A 1 390 ? -11.497 91.156 8.400 1.00 22.81 ? 390 ARG A CG 1 ATOM 3039 C CD . ARG A 1 390 ? -12.139 90.256 9.426 1.00 23.19 ? 390 ARG A CD 1 ATOM 3040 N NE . ARG A 1 390 ? -11.630 90.415 10.774 1.00 25.14 ? 390 ARG A NE 1 ATOM 3041 C CZ . ARG A 1 390 ? -10.528 89.858 11.274 1.00 25.49 ? 390 ARG A CZ 1 ATOM 3042 N NH1 . ARG A 1 390 ? -9.751 89.067 10.574 1.00 25.70 ? 390 ARG A NH1 1 ATOM 3043 N NH2 . ARG A 1 390 ? -10.209 90.086 12.529 1.00 27.07 ? 390 ARG A NH2 1 ATOM 3044 N N . TRP A 1 391 ? -11.914 93.568 5.110 1.00 22.17 ? 391 TRP A N 1 ATOM 3045 C CA . TRP A 1 391 ? -11.830 94.998 4.919 1.00 22.74 ? 391 TRP A CA 1 ATOM 3046 C C . TRP A 1 391 ? -13.222 95.594 4.775 1.00 23.59 ? 391 TRP A C 1 ATOM 3047 O O . TRP A 1 391 ? -14.228 94.908 4.437 1.00 22.20 ? 391 TRP A O 1 ATOM 3048 C CB . TRP A 1 391 ? -10.915 95.382 3.716 1.00 23.23 ? 391 TRP A CB 1 ATOM 3049 C CG . TRP A 1 391 ? -11.259 94.814 2.319 1.00 22.71 ? 391 TRP A CG 1 ATOM 3050 C CD1 . TRP A 1 391 ? -11.975 95.430 1.348 1.00 23.86 ? 391 TRP A CD1 1 ATOM 3051 C CD2 . TRP A 1 391 ? -10.852 93.542 1.750 1.00 24.96 ? 391 TRP A CD2 1 ATOM 3052 N NE1 . TRP A 1 391 ? -12.062 94.643 0.225 1.00 24.32 ? 391 TRP A NE1 1 ATOM 3053 C CE2 . TRP A 1 391 ? -11.391 93.469 0.450 1.00 25.61 ? 391 TRP A CE2 1 ATOM 3054 C CE3 . TRP A 1 391 ? -10.116 92.446 2.224 1.00 23.85 ? 391 TRP A CE3 1 ATOM 3055 C CZ2 . TRP A 1 391 ? -11.204 92.361 -0.385 1.00 24.22 ? 391 TRP A CZ2 1 ATOM 3056 C CZ3 . TRP A 1 391 ? -9.937 91.326 1.382 1.00 22.24 ? 391 TRP A CZ3 1 ATOM 3057 C CH2 . TRP A 1 391 ? -10.444 91.323 0.090 1.00 23.59 ? 391 TRP A CH2 1 ATOM 3058 N N . GLY A 1 392 ? -13.298 96.878 5.086 1.00 23.75 ? 392 GLY A N 1 ATOM 3059 C CA . GLY A 1 392 ? -14.587 97.563 4.970 1.00 24.93 ? 392 GLY A CA 1 ATOM 3060 C C . GLY A 1 392 ? -14.654 98.747 5.913 1.00 25.21 ? 392 GLY A C 1 ATOM 3061 O O . GLY A 1 392 ? -13.621 99.382 6.156 1.00 24.67 ? 392 GLY A O 1 ATOM 3062 N N . GLU A 1 393 ? -15.864 99.025 6.412 1.00 25.77 ? 393 GLU A N 1 ATOM 3063 C CA . GLU A 1 393 ? -16.152 100.215 7.215 1.00 27.08 ? 393 GLU A CA 1 ATOM 3064 C C . GLU A 1 393 ? -15.314 100.328 8.434 1.00 27.04 ? 393 GLU A C 1 ATOM 3065 O O . GLU A 1 393 ? -15.139 99.327 9.156 1.00 26.51 ? 393 GLU A O 1 ATOM 3066 C CB . GLU A 1 393 ? -17.620 100.258 7.654 1.00 27.17 ? 393 GLU A CB 1 ATOM 3067 C CG . GLU A 1 393 ? -18.515 100.792 6.564 1.00 28.69 ? 393 GLU A CG 1 ATOM 3068 C CD . GLU A 1 393 ? -20.008 100.639 6.869 1.00 31.29 ? 393 GLU A CD 1 ATOM 3069 O OE1 . GLU A 1 393 ? -20.347 100.334 8.051 1.00 29.87 ? 393 GLU A OE1 1 ATOM 3070 O OE2 . GLU A 1 393 ? -20.825 100.803 5.887 1.00 37.02 ? 393 GLU A OE2 1 ATOM 3071 N N . ILE A 1 394 ? -14.802 101.547 8.662 1.00 27.02 ? 394 ILE A N 1 ATOM 3072 C CA . ILE A 1 394 ? -14.028 101.854 9.854 1.00 27.72 ? 394 ILE A CA 1 ATOM 3073 C C . ILE A 1 394 ? -14.777 101.342 11.092 1.00 28.20 ? 394 ILE A C 1 ATOM 3074 O O . ILE A 1 394 ? -16.008 101.503 11.237 1.00 28.93 ? 394 ILE A O 1 ATOM 3075 C CB . ILE A 1 394 ? -13.780 103.369 9.975 1.00 28.67 ? 394 ILE A CB 1 ATOM 3076 C CG1 . ILE A 1 394 ? -12.932 103.917 8.812 1.00 28.70 ? 394 ILE A CG1 1 ATOM 3077 C CG2 . ILE A 1 394 ? -13.148 103.730 11.342 1.00 28.63 ? 394 ILE A CG2 1 ATOM 3078 C CD1 . ILE A 1 394 ? -11.485 103.538 8.821 1.00 31.05 ? 394 ILE A CD1 1 ATOM 3079 N N . GLY A 1 395 ? -14.044 100.673 11.970 1.00 28.19 ? 395 GLY A N 1 ATOM 3080 C CA . GLY A 1 395 ? -14.648 100.097 13.169 1.00 28.08 ? 395 GLY A CA 1 ATOM 3081 C C . GLY A 1 395 ? -15.453 98.814 12.969 1.00 27.75 ? 395 GLY A C 1 ATOM 3082 O O . GLY A 1 395 ? -16.035 98.321 13.912 1.00 27.22 ? 395 GLY A O 1 ATOM 3083 N N . SER A 1 396 ? -15.504 98.257 11.773 1.00 27.51 ? 396 SER A N 1 ATOM 3084 C CA . SER A 1 396 ? -16.353 97.081 11.576 1.00 28.68 ? 396 SER A CA 1 ATOM 3085 C C . SER A 1 396 ? -15.607 95.746 11.481 1.00 30.00 ? 396 SER A C 1 ATOM 3086 O O . SER A 1 396 ? -16.253 94.718 11.427 1.00 30.57 ? 396 SER A O 1 ATOM 3087 C CB . SER A 1 396 ? -17.143 97.213 10.314 1.00 28.16 ? 396 SER A CB 1 ATOM 3088 O OG . SER A 1 396 ? -16.262 97.149 9.204 1.00 25.94 ? 396 SER A OG 1 ATOM 3089 N N . THR A 1 397 ? -14.282 95.742 11.427 1.00 31.17 ? 397 THR A N 1 ATOM 3090 C CA . THR A 1 397 ? -13.551 94.473 11.193 1.00 31.82 ? 397 THR A CA 1 ATOM 3091 C C . THR A 1 397 ? -13.097 93.695 12.441 1.00 33.59 ? 397 THR A C 1 ATOM 3092 O O . THR A 1 397 ? -12.651 92.550 12.288 1.00 35.32 ? 397 THR A O 1 ATOM 3093 C CB . THR A 1 397 ? -12.380 94.691 10.237 1.00 31.20 ? 397 THR A CB 1 ATOM 3094 O OG1 . THR A 1 397 ? -11.416 95.573 10.806 1.00 31.42 ? 397 THR A OG1 1 ATOM 3095 C CG2 . THR A 1 397 ? -12.829 95.443 8.994 1.00 29.77 ? 397 THR A CG2 1 ATOM 3096 N N . TYR A 1 398 ? -13.273 94.229 13.652 1.00 34.07 ? 398 TYR A N 1 ATOM 3097 C CA . TYR A 1 398 ? -12.744 93.586 14.861 1.00 34.47 ? 398 TYR A CA 1 ATOM 3098 C C . TYR A 1 398 ? -13.690 93.560 16.085 1.00 35.41 ? 398 TYR A C 1 ATOM 3099 O O . TYR A 1 398 ? -14.832 94.059 16.039 1.00 36.22 ? 398 TYR A O 1 ATOM 3100 C CB . TYR A 1 398 ? -11.439 94.273 15.245 1.00 36.09 ? 398 TYR A CB 1 ATOM 3101 C CG . TYR A 1 398 ? -11.595 95.751 15.493 1.00 36.54 ? 398 TYR A CG 1 ATOM 3102 C CD1 . TYR A 1 398 ? -11.717 96.644 14.431 1.00 37.59 ? 398 TYR A CD1 1 ATOM 3103 C CD2 . TYR A 1 398 ? -11.641 96.246 16.775 1.00 36.08 ? 398 TYR A CD2 1 ATOM 3104 C CE1 . TYR A 1 398 ? -11.873 97.994 14.645 1.00 39.01 ? 398 TYR A CE1 1 ATOM 3105 C CE2 . TYR A 1 398 ? -11.801 97.606 17.012 1.00 38.52 ? 398 TYR A CE2 1 ATOM 3106 C CZ . TYR A 1 398 ? -11.933 98.478 15.947 1.00 39.11 ? 398 TYR A CZ 1 ATOM 3107 O OH . TYR A 1 398 ? -12.069 99.829 16.176 1.00 38.38 ? 398 TYR A OH 1 HETATM 3108 C C1 . NAG B 2 . ? 13.450 107.239 24.932 1.00 31.68 ? 1400 NAG A C1 1 HETATM 3109 C C2 . NAG B 2 . ? 13.936 108.659 25.140 1.00 32.30 ? 1400 NAG A C2 1 HETATM 3110 C C3 . NAG B 2 . ? 14.454 108.799 26.574 1.00 34.44 ? 1400 NAG A C3 1 HETATM 3111 C C4 . NAG B 2 . ? 13.347 108.443 27.565 1.00 33.19 ? 1400 NAG A C4 1 HETATM 3112 C C5 . NAG B 2 . ? 12.830 107.071 27.207 1.00 33.40 ? 1400 NAG A C5 1 HETATM 3113 C C6 . NAG B 2 . ? 11.673 106.662 28.102 1.00 34.50 ? 1400 NAG A C6 1 HETATM 3114 C C7 . NAG B 2 . ? 14.899 109.935 23.301 1.00 32.47 ? 1400 NAG A C7 1 HETATM 3115 C C8 . NAG B 2 . ? 16.178 110.241 22.579 1.00 30.56 ? 1400 NAG A C8 1 HETATM 3116 N N2 . NAG B 2 . ? 14.969 108.920 24.172 1.00 32.62 ? 1400 NAG A N2 1 HETATM 3117 O O3 . NAG B 2 . ? 15.002 110.071 26.844 1.00 33.69 ? 1400 NAG A O3 1 HETATM 3118 O O4 . NAG B 2 . ? 13.880 108.288 28.852 1.00 36.48 ? 1400 NAG A O4 1 HETATM 3119 O O5 . NAG B 2 . ? 12.411 106.994 25.859 1.00 30.80 ? 1400 NAG A O5 1 HETATM 3120 O O6 . NAG B 2 . ? 11.602 105.258 27.998 1.00 34.28 ? 1400 NAG A O6 1 HETATM 3121 O O7 . NAG B 2 . ? 13.876 110.598 23.081 1.00 28.53 ? 1400 NAG A O7 1 HETATM 3122 C C1 . GOL C 3 . ? 7.898 90.854 -2.387 1.00 28.01 ? 1401 GOL A C1 1 HETATM 3123 O O1 . GOL C 3 . ? 7.445 91.186 -1.130 1.00 24.13 ? 1401 GOL A O1 1 HETATM 3124 C C2 . GOL C 3 . ? 9.125 89.928 -2.319 1.00 30.49 ? 1401 GOL A C2 1 HETATM 3125 O O2 . GOL C 3 . ? 8.810 88.715 -2.963 1.00 25.12 ? 1401 GOL A O2 1 HETATM 3126 C C3 . GOL C 3 . ? 10.354 90.590 -2.973 1.00 33.40 ? 1401 GOL A C3 1 HETATM 3127 O O3 . GOL C 3 . ? 11.385 89.644 -3.213 1.00 35.07 ? 1401 GOL A O3 1 HETATM 3128 O O . HOH D 4 . ? -0.529 79.573 -29.875 1.00 37.56 ? 2001 HOH A O 1 HETATM 3129 O O . HOH D 4 . ? -0.873 79.663 -25.101 1.00 27.67 ? 2002 HOH A O 1 HETATM 3130 O O . HOH D 4 . ? -4.156 74.223 -4.502 0.50 23.04 ? 2003 HOH A O 1 HETATM 3131 O O . HOH D 4 . ? -0.504 76.930 -18.631 1.00 26.12 ? 2004 HOH A O 1 HETATM 3132 O O . HOH D 4 . ? -17.274 93.135 -2.790 1.00 38.01 ? 2005 HOH A O 1 HETATM 3133 O O . HOH D 4 . ? -17.458 94.653 -9.289 1.00 36.38 ? 2006 HOH A O 1 HETATM 3134 O O . HOH D 4 . ? -8.309 70.834 -11.528 1.00 21.99 ? 2007 HOH A O 1 HETATM 3135 O O . HOH D 4 . ? -2.212 70.033 -17.225 1.00 32.15 ? 2008 HOH A O 1 HETATM 3136 O O . HOH D 4 . ? -7.527 74.933 -13.408 1.00 40.73 ? 2009 HOH A O 1 HETATM 3137 O O . HOH D 4 . ? -3.011 74.176 -6.422 0.50 4.98 ? 2010 HOH A O 1 HETATM 3138 O O . HOH D 4 . ? -7.658 78.011 -11.211 1.00 26.21 ? 2011 HOH A O 1 HETATM 3139 O O . HOH D 4 . ? -21.176 86.013 -3.363 1.00 36.08 ? 2012 HOH A O 1 HETATM 3140 O O . HOH D 4 . ? -12.111 76.033 -6.123 1.00 35.41 ? 2013 HOH A O 1 HETATM 3141 O O . HOH D 4 . ? -8.557 75.371 -2.766 1.00 27.60 ? 2014 HOH A O 1 HETATM 3142 O O . HOH D 4 . ? 10.730 87.583 -10.155 1.00 26.60 ? 2015 HOH A O 1 HETATM 3143 O O . HOH D 4 . ? 10.990 82.460 -7.348 0.50 10.96 ? 2016 HOH A O 1 HETATM 3144 O O . HOH D 4 . ? 11.004 78.950 -11.724 0.50 17.18 ? 2017 HOH A O 1 HETATM 3145 O O . HOH D 4 . ? -9.140 85.099 4.455 1.00 20.51 ? 2018 HOH A O 1 HETATM 3146 O O . HOH D 4 . ? 5.020 76.943 -28.156 1.00 34.58 ? 2019 HOH A O 1 HETATM 3147 O O . HOH D 4 . ? -17.270 97.258 -9.101 1.00 43.98 ? 2020 HOH A O 1 HETATM 3148 O O . HOH D 4 . ? -16.635 104.379 -1.295 1.00 44.55 ? 2021 HOH A O 1 HETATM 3149 O O . HOH D 4 . ? -15.302 94.707 -2.072 1.00 42.73 ? 2022 HOH A O 1 HETATM 3150 O O . HOH D 4 . ? 13.156 73.161 -21.566 1.00 37.68 ? 2023 HOH A O 1 HETATM 3151 O O . HOH D 4 . ? 9.445 94.297 -9.701 1.00 18.25 ? 2024 HOH A O 1 HETATM 3152 O O . HOH D 4 . ? -18.918 104.320 12.023 1.00 55.62 ? 2025 HOH A O 1 HETATM 3153 O O . HOH D 4 . ? -25.789 99.759 11.414 1.00 55.45 ? 2026 HOH A O 1 HETATM 3154 O O . HOH D 4 . ? -25.684 91.029 8.564 1.00 48.63 ? 2027 HOH A O 1 HETATM 3155 O O . HOH D 4 . ? 2.159 84.479 -29.622 1.00 38.49 ? 2028 HOH A O 1 HETATM 3156 O O . HOH D 4 . ? 9.041 83.783 -33.605 1.00 46.29 ? 2029 HOH A O 1 HETATM 3157 O O . HOH D 4 . ? -26.819 88.100 4.472 1.00 49.42 ? 2030 HOH A O 1 HETATM 3158 O O . HOH D 4 . ? -21.394 86.819 1.787 1.00 36.62 ? 2031 HOH A O 1 HETATM 3159 O O . HOH D 4 . ? -17.813 80.412 -3.570 1.00 39.87 ? 2032 HOH A O 1 HETATM 3160 O O . HOH D 4 . ? -15.271 87.824 -4.176 1.00 18.86 ? 2033 HOH A O 1 HETATM 3161 O O . HOH D 4 . ? -17.843 86.004 -3.620 1.00 33.15 ? 2034 HOH A O 1 HETATM 3162 O O . HOH D 4 . ? -2.165 73.584 7.117 1.00 42.20 ? 2035 HOH A O 1 HETATM 3163 O O . HOH D 4 . ? -2.662 76.932 7.289 1.00 26.52 ? 2036 HOH A O 1 HETATM 3164 O O . HOH D 4 . ? 7.430 89.862 -11.802 1.00 20.85 ? 2037 HOH A O 1 HETATM 3165 O O . HOH D 4 . ? 8.835 86.067 -9.478 1.00 15.32 ? 2038 HOH A O 1 HETATM 3166 O O . HOH D 4 . ? 6.919 72.221 8.012 0.50 16.77 ? 2039 HOH A O 1 HETATM 3167 O O . HOH D 4 . ? 5.368 88.219 -16.525 1.00 22.91 ? 2040 HOH A O 1 HETATM 3168 O O . HOH D 4 . ? 9.272 79.800 -7.718 1.00 32.30 ? 2041 HOH A O 1 HETATM 3169 O O . HOH D 4 . ? 7.082 83.616 -5.993 1.00 20.06 ? 2042 HOH A O 1 HETATM 3170 O O . HOH D 4 . ? 8.333 71.474 -8.706 1.00 41.51 ? 2043 HOH A O 1 HETATM 3171 O O . HOH D 4 . ? 10.490 80.562 -13.081 0.50 16.51 ? 2044 HOH A O 1 HETATM 3172 O O . HOH D 4 . ? -9.516 101.515 19.177 0.50 31.65 ? 2045 HOH A O 1 HETATM 3173 O O . HOH D 4 . ? 5.835 107.352 28.057 1.00 33.83 ? 2046 HOH A O 1 HETATM 3174 O O . HOH D 4 . ? -16.028 90.168 -7.712 1.00 30.78 ? 2047 HOH A O 1 HETATM 3175 O O . HOH D 4 . ? -18.511 98.707 -3.421 1.00 44.13 ? 2048 HOH A O 1 HETATM 3176 O O . HOH D 4 . ? -15.379 99.243 -8.609 1.00 43.46 ? 2049 HOH A O 1 HETATM 3177 O O . HOH D 4 . ? 6.703 74.899 -28.175 1.00 32.08 ? 2050 HOH A O 1 HETATM 3178 O O . HOH D 4 . ? -13.521 103.823 -2.382 0.50 17.69 ? 2051 HOH A O 1 HETATM 3179 O O . HOH D 4 . ? 25.634 85.095 14.232 1.00 50.80 ? 2052 HOH A O 1 HETATM 3180 O O . HOH D 4 . ? 18.613 76.916 -25.570 1.00 49.54 ? 2053 HOH A O 1 HETATM 3181 O O . HOH D 4 . ? 15.964 74.745 -19.396 1.00 37.82 ? 2054 HOH A O 1 HETATM 3182 O O . HOH D 4 . ? 14.054 76.113 -17.987 1.00 37.79 ? 2055 HOH A O 1 HETATM 3183 O O . HOH D 4 . ? 14.198 75.915 -22.293 1.00 24.81 ? 2056 HOH A O 1 HETATM 3184 O O . HOH D 4 . ? 18.055 82.516 -18.980 1.00 22.70 ? 2057 HOH A O 1 HETATM 3185 O O . HOH D 4 . ? 13.013 82.969 -17.016 1.00 31.75 ? 2058 HOH A O 1 HETATM 3186 O O . HOH D 4 . ? 19.297 87.158 -17.263 0.50 7.70 ? 2059 HOH A O 1 HETATM 3187 O O . HOH D 4 . ? 19.412 82.014 -16.873 1.00 42.85 ? 2060 HOH A O 1 HETATM 3188 O O . HOH D 4 . ? 15.929 85.215 -11.304 1.00 40.72 ? 2061 HOH A O 1 HETATM 3189 O O . HOH D 4 . ? 10.761 92.243 -8.571 1.00 19.14 ? 2062 HOH A O 1 HETATM 3190 O O . HOH D 4 . ? 19.143 95.446 -15.779 1.00 32.56 ? 2063 HOH A O 1 HETATM 3191 O O . HOH D 4 . ? -3.220 100.313 -13.352 1.00 32.74 ? 2064 HOH A O 1 HETATM 3192 O O . HOH D 4 . ? 21.700 92.768 -18.256 1.00 49.16 ? 2065 HOH A O 1 HETATM 3193 O O . HOH D 4 . ? 1.248 96.495 -21.386 1.00 29.54 ? 2066 HOH A O 1 HETATM 3194 O O . HOH D 4 . ? 18.717 87.977 -19.223 0.50 12.59 ? 2067 HOH A O 1 HETATM 3195 O O . HOH D 4 . ? 21.127 89.165 -24.503 1.00 39.12 ? 2068 HOH A O 1 HETATM 3196 O O . HOH D 4 . ? 21.180 85.945 -26.099 1.00 42.10 ? 2069 HOH A O 1 HETATM 3197 O O . HOH D 4 . ? 15.171 85.025 -31.937 1.00 53.44 ? 2070 HOH A O 1 HETATM 3198 O O . HOH D 4 . ? 15.813 91.293 -24.912 1.00 21.83 ? 2071 HOH A O 1 HETATM 3199 O O . HOH D 4 . ? 7.376 95.425 -0.507 0.50 20.26 ? 2072 HOH A O 1 HETATM 3200 O O . HOH D 4 . ? 17.962 98.493 -4.595 1.00 51.40 ? 2073 HOH A O 1 HETATM 3201 O O . HOH D 4 . ? 9.520 89.681 -34.943 1.00 33.28 ? 2074 HOH A O 1 HETATM 3202 O O . HOH D 4 . ? 10.676 94.507 -33.643 1.00 48.23 ? 2075 HOH A O 1 HETATM 3203 O O . HOH D 4 . ? 17.139 100.367 -13.275 0.50 15.02 ? 2076 HOH A O 1 HETATM 3204 O O . HOH D 4 . ? 6.996 89.396 -24.992 1.00 17.51 ? 2077 HOH A O 1 HETATM 3205 O O . HOH D 4 . ? 9.530 95.250 -29.164 1.00 27.02 ? 2078 HOH A O 1 HETATM 3206 O O . HOH D 4 . ? 7.669 92.846 -31.385 1.00 24.85 ? 2079 HOH A O 1 HETATM 3207 O O . HOH D 4 . ? 4.219 86.339 -30.952 1.00 28.86 ? 2080 HOH A O 1 HETATM 3208 O O . HOH D 4 . ? 8.549 87.021 -34.603 1.00 35.33 ? 2081 HOH A O 1 HETATM 3209 O O . HOH D 4 . ? 17.467 94.571 -27.593 1.00 35.24 ? 2082 HOH A O 1 HETATM 3210 O O . HOH D 4 . ? 19.955 96.520 -20.033 0.50 17.58 ? 2083 HOH A O 1 HETATM 3211 O O . HOH D 4 . ? 2.639 85.206 -25.291 1.00 26.00 ? 2084 HOH A O 1 HETATM 3212 O O . HOH D 4 . ? 9.199 79.512 -31.671 1.00 40.49 ? 2085 HOH A O 1 HETATM 3213 O O . HOH D 4 . ? 3.713 73.602 -22.383 1.00 22.12 ? 2086 HOH A O 1 HETATM 3214 O O . HOH D 4 . ? 4.111 73.369 -13.521 1.00 17.87 ? 2087 HOH A O 1 HETATM 3215 O O . HOH D 4 . ? 3.120 72.465 -8.989 1.00 29.36 ? 2088 HOH A O 1 HETATM 3216 O O . HOH D 4 . ? -1.759 72.338 -3.747 1.00 30.66 ? 2089 HOH A O 1 HETATM 3217 O O . HOH D 4 . ? -0.433 110.811 -9.004 0.50 14.94 ? 2090 HOH A O 1 HETATM 3218 O O . HOH D 4 . ? 5.111 73.639 -11.261 1.00 23.14 ? 2091 HOH A O 1 HETATM 3219 O O . HOH D 4 . ? -1.944 74.675 -2.528 1.00 30.47 ? 2092 HOH A O 1 HETATM 3220 O O . HOH D 4 . ? -3.241 76.204 4.840 1.00 34.39 ? 2093 HOH A O 1 HETATM 3221 O O . HOH D 4 . ? -0.398 73.155 4.341 1.00 25.08 ? 2094 HOH A O 1 HETATM 3222 O O . HOH D 4 . ? -3.946 74.419 -0.646 1.00 19.05 ? 2095 HOH A O 1 HETATM 3223 O O . HOH D 4 . ? -10.678 78.247 0.966 1.00 35.79 ? 2096 HOH A O 1 HETATM 3224 O O . HOH D 4 . ? -11.027 78.569 7.956 1.00 24.93 ? 2097 HOH A O 1 HETATM 3225 O O . HOH D 4 . ? -9.038 79.376 9.235 1.00 30.83 ? 2098 HOH A O 1 HETATM 3226 O O . HOH D 4 . ? 5.273 71.769 7.369 0.50 15.61 ? 2099 HOH A O 1 HETATM 3227 O O . HOH D 4 . ? 3.745 72.976 1.181 1.00 35.11 ? 2100 HOH A O 1 HETATM 3228 O O . HOH D 4 . ? 1.869 76.265 2.683 1.00 21.88 ? 2101 HOH A O 1 HETATM 3229 O O . HOH D 4 . ? 15.433 70.070 4.812 0.50 12.74 ? 2102 HOH A O 1 HETATM 3230 O O . HOH D 4 . ? 8.111 69.387 1.473 1.00 42.27 ? 2103 HOH A O 1 HETATM 3231 O O . HOH D 4 . ? 9.710 73.640 -7.429 1.00 32.00 ? 2104 HOH A O 1 HETATM 3232 O O . HOH D 4 . ? -3.236 94.035 26.285 1.00 26.26 ? 2105 HOH A O 1 HETATM 3233 O O . HOH D 4 . ? 14.602 81.779 -3.263 1.00 39.96 ? 2106 HOH A O 1 HETATM 3234 O O . HOH D 4 . ? 10.948 83.045 -5.425 0.50 9.11 ? 2107 HOH A O 1 HETATM 3235 O O . HOH D 4 . ? 7.935 81.062 -5.481 1.00 24.75 ? 2108 HOH A O 1 HETATM 3236 O O . HOH D 4 . ? 13.484 85.673 -0.281 1.00 18.08 ? 2109 HOH A O 1 HETATM 3237 O O . HOH D 4 . ? 9.419 85.146 -5.081 1.00 31.80 ? 2110 HOH A O 1 HETATM 3238 O O . HOH D 4 . ? -7.110 102.296 19.336 0.50 13.61 ? 2111 HOH A O 1 HETATM 3239 O O . HOH D 4 . ? -6.892 107.521 20.635 0.50 13.03 ? 2112 HOH A O 1 HETATM 3240 O O . HOH D 4 . ? 4.793 109.398 25.236 1.00 34.11 ? 2113 HOH A O 1 HETATM 3241 O O . HOH D 4 . ? 9.650 89.919 -9.717 1.00 29.07 ? 2114 HOH A O 1 HETATM 3242 O O . HOH D 4 . ? -0.587 117.064 0.034 1.00 32.32 ? 2115 HOH A O 1 HETATM 3243 O O . HOH D 4 . ? 8.444 119.149 12.995 0.50 13.92 ? 2116 HOH A O 1 HETATM 3244 O O . HOH D 4 . ? 1.719 118.854 7.915 1.00 38.01 ? 2117 HOH A O 1 HETATM 3245 O O . HOH D 4 . ? -14.005 90.830 -12.182 1.00 29.45 ? 2118 HOH A O 1 HETATM 3246 O O . HOH D 4 . ? -19.189 89.465 -6.042 1.00 49.11 ? 2119 HOH A O 1 HETATM 3247 O O . HOH D 4 . ? -14.475 81.191 -10.174 1.00 24.69 ? 2120 HOH A O 1 HETATM 3248 O O . HOH D 4 . ? -9.617 83.557 -22.283 1.00 39.48 ? 2121 HOH A O 1 HETATM 3249 O O . HOH D 4 . ? -6.821 88.940 -17.224 0.50 9.29 ? 2122 HOH A O 1 HETATM 3250 O O . HOH D 4 . ? -6.239 86.805 -16.954 0.50 5.91 ? 2123 HOH A O 1 HETATM 3251 O O . HOH D 4 . ? -5.794 112.313 -9.008 1.00 40.58 ? 2124 HOH A O 1 HETATM 3252 O O . HOH D 4 . ? -11.416 92.644 -9.728 1.00 25.03 ? 2125 HOH A O 1 HETATM 3253 O O . HOH D 4 . ? -5.863 91.856 -4.952 1.00 16.56 ? 2126 HOH A O 1 HETATM 3254 O O . HOH D 4 . ? -14.484 88.896 -6.148 1.00 25.15 ? 2127 HOH A O 1 HETATM 3255 O O . HOH D 4 . ? -15.351 91.665 -3.697 1.00 35.46 ? 2128 HOH A O 1 HETATM 3256 O O . HOH D 4 . ? -12.706 94.925 -2.954 1.00 32.80 ? 2129 HOH A O 1 HETATM 3257 O O . HOH D 4 . ? -12.274 93.944 -7.627 1.00 24.47 ? 2130 HOH A O 1 HETATM 3258 O O . HOH D 4 . ? -6.623 100.637 -2.092 1.00 37.67 ? 2131 HOH A O 1 HETATM 3259 O O . HOH D 4 . ? -12.294 97.776 -1.434 1.00 29.06 ? 2132 HOH A O 1 HETATM 3260 O O . HOH D 4 . ? -13.910 99.782 0.302 1.00 38.05 ? 2133 HOH A O 1 HETATM 3261 O O . HOH D 4 . ? -15.318 98.785 -4.053 1.00 41.07 ? 2134 HOH A O 1 HETATM 3262 O O . HOH D 4 . ? -13.765 101.746 -8.351 1.00 40.08 ? 2135 HOH A O 1 HETATM 3263 O O . HOH D 4 . ? -11.710 104.783 -1.186 0.50 14.51 ? 2136 HOH A O 1 HETATM 3264 O O . HOH D 4 . ? -15.308 103.647 6.690 1.00 23.88 ? 2137 HOH A O 1 HETATM 3265 O O . HOH D 4 . ? -4.252 95.395 8.823 1.00 23.35 ? 2138 HOH A O 1 HETATM 3266 O O . HOH D 4 . ? 27.579 86.962 12.748 1.00 38.07 ? 2139 HOH A O 1 HETATM 3267 O O . HOH D 4 . ? -10.667 86.593 13.995 1.00 42.89 ? 2140 HOH A O 1 HETATM 3268 O O . HOH D 4 . ? -7.443 83.838 13.416 1.00 28.72 ? 2141 HOH A O 1 HETATM 3269 O O . HOH D 4 . ? 19.978 73.347 9.094 0.50 24.52 ? 2142 HOH A O 1 HETATM 3270 O O . HOH D 4 . ? 18.336 75.858 3.864 1.00 32.62 ? 2143 HOH A O 1 HETATM 3271 O O . HOH D 4 . ? 4.670 81.989 11.718 1.00 20.80 ? 2144 HOH A O 1 HETATM 3272 O O . HOH D 4 . ? 1.513 78.706 16.745 1.00 43.92 ? 2145 HOH A O 1 HETATM 3273 O O . HOH D 4 . ? -0.979 79.041 12.918 1.00 42.29 ? 2146 HOH A O 1 HETATM 3274 O O . HOH D 4 . ? 2.371 85.516 16.252 1.00 22.78 ? 2147 HOH A O 1 HETATM 3275 O O . HOH D 4 . ? -24.260 99.466 5.780 1.00 39.03 ? 2148 HOH A O 1 HETATM 3276 O O . HOH D 4 . ? 14.826 85.811 15.953 0.50 3.38 ? 2149 HOH A O 1 HETATM 3277 O O . HOH D 4 . ? 17.507 85.267 12.661 1.00 18.84 ? 2150 HOH A O 1 HETATM 3278 O O . HOH D 4 . ? 17.226 88.660 5.710 1.00 20.31 ? 2151 HOH A O 1 HETATM 3279 O O . HOH D 4 . ? -4.596 99.795 -11.420 1.00 25.15 ? 2152 HOH A O 1 HETATM 3280 O O . HOH D 4 . ? -7.441 98.673 -18.956 1.00 28.57 ? 2153 HOH A O 1 HETATM 3281 O O . HOH D 4 . ? -6.326 93.942 -20.240 1.00 20.38 ? 2154 HOH A O 1 HETATM 3282 O O . HOH D 4 . ? 0.552 93.457 -21.450 1.00 13.81 ? 2155 HOH A O 1 HETATM 3283 O O . HOH D 4 . ? -6.522 85.842 -24.395 1.00 44.69 ? 2156 HOH A O 1 HETATM 3284 O O . HOH D 4 . ? -4.671 94.816 -23.743 1.00 26.49 ? 2157 HOH A O 1 HETATM 3285 O O . HOH D 4 . ? 0.281 92.666 -26.386 1.00 20.40 ? 2158 HOH A O 1 HETATM 3286 O O . HOH D 4 . ? -2.950 87.229 -33.252 1.00 60.12 ? 2159 HOH A O 1 HETATM 3287 O O . HOH D 4 . ? 3.770 92.854 -33.725 1.00 36.75 ? 2160 HOH A O 1 HETATM 3288 O O . HOH D 4 . ? 0.821 85.618 -20.903 1.00 15.57 ? 2161 HOH A O 1 HETATM 3289 O O . HOH D 4 . ? -5.647 76.278 -16.277 1.00 30.11 ? 2162 HOH A O 1 HETATM 3290 O O . HOH D 4 . ? 4.165 89.483 -12.395 1.00 17.79 ? 2163 HOH A O 1 HETATM 3291 O O . HOH D 4 . ? 4.630 90.391 -15.643 1.00 19.22 ? 2164 HOH A O 1 HETATM 3292 O O . HOH D 4 . ? 0.297 95.767 -13.751 1.00 16.56 ? 2165 HOH A O 1 HETATM 3293 O O . HOH D 4 . ? 8.031 93.707 -11.938 1.00 18.80 ? 2166 HOH A O 1 HETATM 3294 O O . HOH D 4 . ? 5.184 93.503 -14.413 1.00 17.22 ? 2167 HOH A O 1 HETATM 3295 O O . HOH D 4 . ? 9.551 96.774 -8.613 1.00 13.38 ? 2168 HOH A O 1 HETATM 3296 O O . HOH D 4 . ? 8.340 95.851 -2.053 0.50 12.65 ? 2169 HOH A O 1 HETATM 3297 O O . HOH D 4 . ? 9.798 93.310 -4.812 1.00 31.96 ? 2170 HOH A O 1 HETATM 3298 O O . HOH D 4 . ? 15.610 100.187 -1.011 1.00 41.14 ? 2171 HOH A O 1 HETATM 3299 O O . HOH D 4 . ? 15.271 99.559 -4.880 1.00 32.59 ? 2172 HOH A O 1 HETATM 3300 O O . HOH D 4 . ? 16.028 99.495 -10.884 1.00 27.45 ? 2173 HOH A O 1 HETATM 3301 O O . HOH D 4 . ? 16.776 96.256 -10.750 1.00 27.08 ? 2174 HOH A O 1 HETATM 3302 O O . HOH D 4 . ? 6.753 91.076 -13.957 1.00 23.51 ? 2175 HOH A O 1 HETATM 3303 O O . HOH D 4 . ? 5.866 95.950 -20.728 1.00 16.17 ? 2176 HOH A O 1 HETATM 3304 O O . HOH D 4 . ? 3.423 97.605 -20.458 1.00 31.63 ? 2177 HOH A O 1 HETATM 3305 O O . HOH D 4 . ? 4.917 87.753 -23.793 1.00 16.33 ? 2178 HOH A O 1 HETATM 3306 O O . HOH D 4 . ? 9.509 96.034 -23.631 1.00 29.95 ? 2179 HOH A O 1 HETATM 3307 O O . HOH D 4 . ? 11.387 97.312 -22.232 1.00 22.54 ? 2180 HOH A O 1 HETATM 3308 O O . HOH D 4 . ? 17.290 93.431 -25.004 1.00 22.49 ? 2181 HOH A O 1 HETATM 3309 O O . HOH D 4 . ? 18.494 96.577 -22.556 0.50 23.30 ? 2182 HOH A O 1 HETATM 3310 O O . HOH D 4 . ? 18.193 97.383 -17.144 1.00 28.78 ? 2183 HOH A O 1 HETATM 3311 O O . HOH D 4 . ? 16.660 100.616 -15.171 0.50 13.80 ? 2184 HOH A O 1 HETATM 3312 O O . HOH D 4 . ? 6.465 98.666 -1.535 1.00 44.23 ? 2185 HOH A O 1 HETATM 3313 O O . HOH D 4 . ? 8.805 99.333 3.382 0.50 12.12 ? 2186 HOH A O 1 HETATM 3314 O O . HOH D 4 . ? 8.048 93.492 0.810 1.00 32.80 ? 2187 HOH A O 1 HETATM 3315 O O . HOH D 4 . ? 10.757 92.980 19.516 1.00 18.87 ? 2188 HOH A O 1 HETATM 3316 O O . HOH D 4 . ? 17.831 88.382 19.445 0.50 21.04 ? 2189 HOH A O 1 HETATM 3317 O O . HOH D 4 . ? 17.500 88.705 21.296 0.50 22.55 ? 2190 HOH A O 1 HETATM 3318 O O . HOH D 4 . ? 13.092 90.201 22.474 1.00 32.02 ? 2191 HOH A O 1 HETATM 3319 O O . HOH D 4 . ? 3.496 95.943 10.166 1.00 19.98 ? 2192 HOH A O 1 HETATM 3320 O O . HOH D 4 . ? 10.960 99.885 3.045 0.50 14.87 ? 2193 HOH A O 1 HETATM 3321 O O . HOH D 4 . ? 4.453 112.782 -12.847 1.00 40.12 ? 2194 HOH A O 1 HETATM 3322 O O . HOH D 4 . ? 10.567 112.879 -11.097 0.50 24.83 ? 2195 HOH A O 1 HETATM 3323 O O . HOH D 4 . ? 6.569 114.984 -8.511 1.00 20.04 ? 2196 HOH A O 1 HETATM 3324 O O . HOH D 4 . ? 0.362 109.065 -8.473 0.50 15.73 ? 2197 HOH A O 1 HETATM 3325 O O . HOH D 4 . ? -7.521 109.393 -11.160 0.50 10.64 ? 2198 HOH A O 1 HETATM 3326 O O . HOH D 4 . ? 1.838 104.496 -15.553 1.00 23.29 ? 2199 HOH A O 1 HETATM 3327 O O . HOH D 4 . ? 0.378 109.472 -14.100 1.00 41.39 ? 2200 HOH A O 1 HETATM 3328 O O . HOH D 4 . ? 1.688 104.063 -9.338 1.00 18.25 ? 2201 HOH A O 1 HETATM 3329 O O . HOH D 4 . ? 12.926 105.852 -23.830 1.00 39.21 ? 2202 HOH A O 1 HETATM 3330 O O . HOH D 4 . ? 12.655 108.658 -19.381 1.00 66.87 ? 2203 HOH A O 1 HETATM 3331 O O . HOH D 4 . ? 17.162 102.021 -17.515 1.00 31.24 ? 2204 HOH A O 1 HETATM 3332 O O . HOH D 4 . ? 12.799 105.779 -8.262 1.00 23.35 ? 2205 HOH A O 1 HETATM 3333 O O . HOH D 4 . ? 13.322 107.353 -3.690 1.00 21.67 ? 2206 HOH A O 1 HETATM 3334 O O . HOH D 4 . ? 19.734 104.944 -6.436 1.00 31.75 ? 2207 HOH A O 1 HETATM 3335 O O . HOH D 4 . ? 12.368 113.164 -10.224 0.50 15.39 ? 2208 HOH A O 1 HETATM 3336 O O . HOH D 4 . ? 13.084 107.276 -0.797 1.00 20.87 ? 2209 HOH A O 1 HETATM 3337 O O . HOH D 4 . ? 10.789 108.871 1.868 1.00 20.55 ? 2210 HOH A O 1 HETATM 3338 O O . HOH D 4 . ? 12.411 103.114 -7.027 1.00 26.61 ? 2211 HOH A O 1 HETATM 3339 O O . HOH D 4 . ? 16.935 100.491 -8.343 1.00 50.20 ? 2212 HOH A O 1 HETATM 3340 O O . HOH D 4 . ? 17.346 108.826 3.141 0.50 19.45 ? 2213 HOH A O 1 HETATM 3341 O O . HOH D 4 . ? 9.755 107.516 9.748 1.00 19.14 ? 2214 HOH A O 1 HETATM 3342 O O . HOH D 4 . ? 9.345 104.912 12.407 1.00 23.15 ? 2215 HOH A O 1 HETATM 3343 O O . HOH D 4 . ? 8.628 96.842 15.714 1.00 18.31 ? 2216 HOH A O 1 HETATM 3344 O O . HOH D 4 . ? 5.795 98.914 15.239 1.00 23.19 ? 2217 HOH A O 1 HETATM 3345 O O . HOH D 4 . ? 14.455 101.722 19.779 1.00 27.25 ? 2218 HOH A O 1 HETATM 3346 O O . HOH D 4 . ? 15.569 105.852 15.106 1.00 41.68 ? 2219 HOH A O 1 HETATM 3347 O O . HOH D 4 . ? 11.716 108.489 14.449 1.00 22.87 ? 2220 HOH A O 1 HETATM 3348 O O . HOH D 4 . ? 10.449 102.182 25.778 0.50 12.54 ? 2221 HOH A O 1 HETATM 3349 O O . HOH D 4 . ? 14.846 100.565 26.220 1.00 41.33 ? 2222 HOH A O 1 HETATM 3350 O O . HOH D 4 . ? 12.365 95.814 25.954 1.00 45.90 ? 2223 HOH A O 1 HETATM 3351 O O . HOH D 4 . ? 10.647 100.843 27.567 1.00 42.47 ? 2224 HOH A O 1 HETATM 3352 O O . HOH D 4 . ? 8.375 102.111 25.844 0.50 28.25 ? 2225 HOH A O 1 HETATM 3353 O O . HOH D 4 . ? 8.951 96.236 20.840 1.00 27.56 ? 2226 HOH A O 1 HETATM 3354 O O . HOH D 4 . ? 11.162 82.086 22.071 1.00 34.02 ? 2227 HOH A O 1 HETATM 3355 O O . HOH D 4 . ? 12.949 84.012 16.693 1.00 36.98 ? 2228 HOH A O 1 HETATM 3356 O O . HOH D 4 . ? 9.153 79.715 17.399 1.00 37.02 ? 2229 HOH A O 1 HETATM 3357 O O . HOH D 4 . ? 11.142 90.172 20.590 1.00 19.94 ? 2230 HOH A O 1 HETATM 3358 O O . HOH D 4 . ? 1.566 89.918 29.142 1.00 48.09 ? 2231 HOH A O 1 HETATM 3359 O O . HOH D 4 . ? 6.404 85.506 27.979 0.50 17.67 ? 2232 HOH A O 1 HETATM 3360 O O . HOH D 4 . ? 1.446 84.432 27.613 1.00 42.84 ? 2233 HOH A O 1 HETATM 3361 O O . HOH D 4 . ? 4.304 95.608 27.741 1.00 36.68 ? 2234 HOH A O 1 HETATM 3362 O O . HOH D 4 . ? 1.428 91.041 26.106 1.00 31.97 ? 2235 HOH A O 1 HETATM 3363 O O . HOH D 4 . ? -3.938 84.346 20.393 1.00 32.59 ? 2236 HOH A O 1 HETATM 3364 O O . HOH D 4 . ? -6.543 86.950 17.042 1.00 35.16 ? 2237 HOH A O 1 HETATM 3365 O O . HOH D 4 . ? -12.870 113.248 8.176 1.00 34.04 ? 2238 HOH A O 1 HETATM 3366 O O . HOH D 4 . ? -12.107 108.029 7.097 1.00 31.53 ? 2239 HOH A O 1 HETATM 3367 O O . HOH D 4 . ? -5.237 117.014 5.782 1.00 30.91 ? 2240 HOH A O 1 HETATM 3368 O O . HOH D 4 . ? -7.576 117.400 1.470 1.00 46.36 ? 2241 HOH A O 1 HETATM 3369 O O . HOH D 4 . ? -16.778 115.973 4.477 1.00 39.66 ? 2242 HOH A O 1 HETATM 3370 O O . HOH D 4 . ? -8.616 116.130 -6.531 1.00 43.90 ? 2243 HOH A O 1 HETATM 3371 O O . HOH D 4 . ? -1.007 113.714 6.484 1.00 29.52 ? 2244 HOH A O 1 HETATM 3372 O O . HOH D 4 . ? 1.014 101.017 15.610 1.00 28.62 ? 2245 HOH A O 1 HETATM 3373 O O . HOH D 4 . ? 2.881 99.080 14.765 1.00 28.48 ? 2246 HOH A O 1 HETATM 3374 O O . HOH D 4 . ? -3.929 91.562 25.275 1.00 36.83 ? 2247 HOH A O 1 HETATM 3375 O O . HOH D 4 . ? -0.877 90.833 24.055 1.00 41.29 ? 2248 HOH A O 1 HETATM 3376 O O . HOH D 4 . ? -8.340 88.714 19.936 1.00 35.03 ? 2249 HOH A O 1 HETATM 3377 O O . HOH D 4 . ? -14.043 91.464 21.525 1.00 41.35 ? 2250 HOH A O 1 HETATM 3378 O O . HOH D 4 . ? -12.711 93.282 20.536 1.00 38.87 ? 2251 HOH A O 1 HETATM 3379 O O . HOH D 4 . ? -5.688 92.711 29.907 1.00 45.38 ? 2252 HOH A O 1 HETATM 3380 O O . HOH D 4 . ? -3.187 97.908 25.770 1.00 36.96 ? 2253 HOH A O 1 HETATM 3381 O O . HOH D 4 . ? -1.069 99.685 23.714 1.00 38.08 ? 2254 HOH A O 1 HETATM 3382 O O . HOH D 4 . ? -7.578 100.204 23.881 1.00 39.55 ? 2255 HOH A O 1 HETATM 3383 O O . HOH D 4 . ? -3.157 105.093 20.265 1.00 23.22 ? 2256 HOH A O 1 HETATM 3384 O O . HOH D 4 . ? -4.762 103.201 18.990 1.00 31.25 ? 2257 HOH A O 1 HETATM 3385 O O . HOH D 4 . ? -0.218 104.138 23.649 1.00 36.53 ? 2258 HOH A O 1 HETATM 3386 O O . HOH D 4 . ? -4.936 108.511 22.704 1.00 22.79 ? 2259 HOH A O 1 HETATM 3387 O O . HOH D 4 . ? -3.817 111.854 19.610 1.00 22.35 ? 2260 HOH A O 1 HETATM 3388 O O . HOH D 4 . ? 2.478 104.878 24.031 1.00 33.22 ? 2261 HOH A O 1 HETATM 3389 O O . HOH D 4 . ? 5.987 111.086 24.007 1.00 34.14 ? 2262 HOH A O 1 HETATM 3390 O O . HOH D 4 . ? 16.308 111.771 19.052 1.00 31.29 ? 2263 HOH A O 1 HETATM 3391 O O . HOH D 4 . ? 14.331 118.346 19.366 1.00 40.00 ? 2264 HOH A O 1 HETATM 3392 O O . HOH D 4 . ? 7.709 115.671 20.765 1.00 43.19 ? 2265 HOH A O 1 HETATM 3393 O O . HOH D 4 . ? 8.002 112.040 20.044 1.00 27.89 ? 2266 HOH A O 1 HETATM 3394 O O . HOH D 4 . ? -2.071 111.800 23.809 1.00 35.98 ? 2267 HOH A O 1 HETATM 3395 O O . HOH D 4 . ? -6.642 107.865 19.019 0.50 4.50 ? 2268 HOH A O 1 HETATM 3396 O O . HOH D 4 . ? -0.724 103.973 14.270 1.00 24.04 ? 2269 HOH A O 1 HETATM 3397 O O . HOH D 4 . ? -1.844 111.492 17.479 1.00 36.89 ? 2270 HOH A O 1 HETATM 3398 O O . HOH D 4 . ? -0.657 114.884 1.902 1.00 20.76 ? 2271 HOH A O 1 HETATM 3399 O O . HOH D 4 . ? -0.897 117.911 5.165 1.00 40.14 ? 2272 HOH A O 1 HETATM 3400 O O . HOH D 4 . ? -0.310 116.308 11.987 1.00 33.79 ? 2273 HOH A O 1 HETATM 3401 O O . HOH D 4 . ? 6.470 118.785 16.312 1.00 33.36 ? 2274 HOH A O 1 HETATM 3402 O O . HOH D 4 . ? 0.066 116.097 9.310 1.00 29.54 ? 2275 HOH A O 1 HETATM 3403 O O . HOH D 4 . ? 6.066 119.039 13.942 0.50 11.24 ? 2276 HOH A O 1 HETATM 3404 O O . HOH D 4 . ? 0.218 115.053 14.519 1.00 43.06 ? 2277 HOH A O 1 HETATM 3405 O O . HOH D 4 . ? 12.062 114.830 5.113 1.00 41.15 ? 2278 HOH A O 1 HETATM 3406 O O . HOH D 4 . ? 15.410 110.170 2.553 0.50 17.59 ? 2279 HOH A O 1 HETATM 3407 O O . HOH D 4 . ? 11.077 107.277 7.137 1.00 39.45 ? 2280 HOH A O 1 HETATM 3408 O O . HOH D 4 . ? 18.966 111.942 1.395 1.00 39.86 ? 2281 HOH A O 1 HETATM 3409 O O . HOH D 4 . ? 13.155 109.795 0.840 1.00 23.97 ? 2282 HOH A O 1 HETATM 3410 O O . HOH D 4 . ? 14.968 113.863 -6.263 1.00 35.63 ? 2283 HOH A O 1 HETATM 3411 O O . HOH D 4 . ? 3.373 116.902 -1.971 1.00 39.17 ? 2284 HOH A O 1 HETATM 3412 O O . HOH D 4 . ? 4.375 114.658 -7.163 1.00 36.78 ? 2285 HOH A O 1 HETATM 3413 O O . HOH D 4 . ? -0.519 114.736 -3.330 1.00 33.66 ? 2286 HOH A O 1 HETATM 3414 O O . HOH D 4 . ? -5.768 110.991 -1.098 1.00 25.99 ? 2287 HOH A O 1 HETATM 3415 O O . HOH D 4 . ? -7.738 108.773 -6.715 1.00 34.96 ? 2288 HOH A O 1 HETATM 3416 O O . HOH D 4 . ? -7.820 109.950 -2.326 1.00 29.53 ? 2289 HOH A O 1 HETATM 3417 O O . HOH D 4 . ? -11.715 107.634 -1.747 1.00 33.54 ? 2290 HOH A O 1 HETATM 3418 O O . HOH D 4 . ? -6.666 109.378 -9.253 0.50 11.77 ? 2291 HOH A O 1 HETATM 3419 O O . HOH D 4 . ? -10.043 99.386 -9.813 1.00 33.92 ? 2292 HOH A O 1 HETATM 3420 O O . HOH D 4 . ? -5.361 101.584 -9.896 1.00 21.85 ? 2293 HOH A O 1 HETATM 3421 O O . HOH D 4 . ? 18.145 87.765 -0.995 1.00 25.45 ? 2294 HOH A O 1 HETATM 3422 O O . HOH D 4 . ? 19.473 83.755 -0.885 1.00 41.53 ? 2295 HOH A O 1 HETATM 3423 O O . HOH D 4 . ? 26.359 89.574 7.634 1.00 35.76 ? 2296 HOH A O 1 HETATM 3424 O O . HOH D 4 . ? 22.776 92.076 10.314 1.00 29.62 ? 2297 HOH A O 1 HETATM 3425 O O . HOH D 4 . ? 11.903 99.561 10.428 1.00 25.97 ? 2298 HOH A O 1 HETATM 3426 O O . HOH D 4 . ? 17.437 97.721 20.122 1.00 35.88 ? 2299 HOH A O 1 HETATM 3427 O O . HOH D 4 . ? 20.286 95.695 17.323 1.00 28.65 ? 2300 HOH A O 1 HETATM 3428 O O . HOH D 4 . ? 20.675 91.198 11.586 1.00 22.36 ? 2301 HOH A O 1 HETATM 3429 O O . HOH D 4 . ? 28.467 97.503 8.506 1.00 44.39 ? 2302 HOH A O 1 HETATM 3430 O O . HOH D 4 . ? 25.783 86.397 9.953 1.00 34.08 ? 2303 HOH A O 1 HETATM 3431 O O . HOH D 4 . ? 17.089 85.346 15.352 0.50 11.55 ? 2304 HOH A O 1 HETATM 3432 O O . HOH D 4 . ? 21.111 80.063 3.876 1.00 40.25 ? 2305 HOH A O 1 HETATM 3433 O O . HOH D 4 . ? 23.470 84.449 4.337 1.00 26.23 ? 2306 HOH A O 1 HETATM 3434 O O . HOH D 4 . ? 25.911 83.452 9.592 1.00 32.84 ? 2307 HOH A O 1 HETATM 3435 O O . HOH D 4 . ? 23.421 78.230 7.951 1.00 27.03 ? 2308 HOH A O 1 HETATM 3436 O O . HOH D 4 . ? 21.253 84.046 16.117 1.00 33.36 ? 2309 HOH A O 1 HETATM 3437 O O . HOH D 4 . ? 22.587 81.461 15.762 1.00 35.99 ? 2310 HOH A O 1 HETATM 3438 O O . HOH D 4 . ? 18.384 74.648 8.717 1.00 44.79 ? 2311 HOH A O 1 HETATM 3439 O O . HOH D 4 . ? 21.219 79.516 16.351 1.00 27.26 ? 2312 HOH A O 1 HETATM 3440 O O . HOH D 4 . ? 24.437 73.473 9.035 1.00 34.17 ? 2313 HOH A O 1 HETATM 3441 O O . HOH D 4 . ? 11.157 75.485 12.074 0.50 11.78 ? 2314 HOH A O 1 HETATM 3442 O O . HOH D 4 . ? 16.281 74.928 6.535 1.00 17.89 ? 2315 HOH A O 1 HETATM 3443 O O . HOH D 4 . ? 1.106 75.617 9.981 1.00 30.95 ? 2316 HOH A O 1 HETATM 3444 O O . HOH D 4 . ? -0.657 77.178 8.965 1.00 30.01 ? 2317 HOH A O 1 HETATM 3445 O O . HOH D 4 . ? 2.297 79.805 9.775 1.00 26.29 ? 2318 HOH A O 1 HETATM 3446 O O . HOH D 4 . ? -3.139 83.192 11.158 1.00 27.49 ? 2319 HOH A O 1 HETATM 3447 O O . HOH D 4 . ? -13.310 82.965 10.149 1.00 33.52 ? 2320 HOH A O 1 HETATM 3448 O O . HOH D 4 . ? -13.958 86.236 11.971 0.50 16.02 ? 2321 HOH A O 1 HETATM 3449 O O . HOH D 4 . ? -14.662 89.281 13.264 1.00 40.11 ? 2322 HOH A O 1 HETATM 3450 O O . HOH D 4 . ? -15.155 86.957 10.622 0.50 27.66 ? 2323 HOH A O 1 HETATM 3451 O O . HOH D 4 . ? -15.524 96.047 1.875 1.00 33.55 ? 2324 HOH A O 1 HETATM 3452 O O . HOH D 4 . ? -22.878 100.062 8.289 1.00 45.88 ? 2325 HOH A O 1 HETATM 3453 O O . HOH D 4 . ? -19.916 101.045 3.358 1.00 35.25 ? 2326 HOH A O 1 HETATM 3454 O O . HOH D 4 . ? -19.664 102.789 9.288 1.00 40.07 ? 2327 HOH A O 1 HETATM 3455 O O . HOH D 4 . ? 16.929 109.450 29.303 1.00 37.50 ? 2328 HOH A O 1 HETATM 3456 O O . HOH D 4 . ? 9.148 86.451 -2.087 1.00 23.82 ? 2329 HOH A O 1 HETATM 3457 O O . HOH D 4 . ? 11.942 88.728 -6.309 1.00 43.64 ? 2330 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 PCA 1 1 1 PCA PCA A . n A 1 2 LYS 2 2 2 LYS LYS A . n A 1 3 PRO 3 3 3 PRO PRO A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 GLU 5 5 5 GLU GLU A . n A 1 6 THR 6 6 6 THR THR A . n A 1 7 LYS 7 7 7 LYS LYS A . n A 1 8 GLU 8 8 8 GLU GLU A . n A 1 9 VAL 9 9 9 VAL VAL A . n A 1 10 HIS 10 10 10 HIS HIS A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 GLN 12 12 12 GLN GLN A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 THR 14 14 14 THR THR A . n A 1 15 THR 15 15 15 THR THR A . n A 1 16 PHE 16 16 16 PHE PHE A . n A 1 17 ARG 17 17 17 ARG ARG A . n A 1 18 CYS 18 18 18 CYS CYS A . n A 1 19 THR 19 19 19 THR THR A . n A 1 20 LYS 20 20 20 LYS LYS A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 GLY 22 22 22 GLY GLY A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 CYS 24 24 24 CYS CYS A . n A 1 25 LYS 25 25 25 LYS LYS A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 ASN 29 29 29 ASN ASN A . n A 1 30 PHE 30 30 30 PHE PHE A . n A 1 31 ILE 31 31 31 ILE ILE A . n A 1 32 VAL 32 32 32 VAL VAL A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 ASP 34 34 34 ASP ASP A . n A 1 35 SER 35 35 35 SER SER A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 SER 37 37 37 SER SER A . n A 1 38 HIS 38 38 38 HIS HIS A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 ILE 40 40 40 ILE ILE A . n A 1 41 HIS 41 41 41 HIS HIS A . n A 1 42 ARG 42 42 42 ARG ARG A . n A 1 43 ALA 43 43 43 ALA ALA A . n A 1 44 GLU 44 44 44 GLU GLU A . n A 1 45 GLY 45 45 45 GLY GLY A . n A 1 46 LEU 46 46 46 LEU LEU A . n A 1 47 GLY 47 47 47 GLY GLY A . n A 1 48 PRO 48 48 48 PRO PRO A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 GLY 50 50 50 GLY GLY A . n A 1 51 CYS 51 51 51 CYS CYS A . n A 1 52 GLY 52 52 52 GLY GLY A . n A 1 53 ASP 53 53 53 ASP ASP A . n A 1 54 TRP 54 54 54 TRP TRP A . n A 1 55 GLY 55 55 55 GLY GLY A . n A 1 56 ASN 56 56 56 ASN ASN A . n A 1 57 PRO 57 57 57 PRO PRO A . n A 1 58 PRO 58 58 58 PRO PRO A . n A 1 59 PRO 59 59 59 PRO PRO A . n A 1 60 LYS 60 60 60 LYS LYS A . n A 1 61 ASP 61 61 61 ASP ASP A . n A 1 62 VAL 62 62 62 VAL VAL A . n A 1 63 CYS 63 63 63 CYS CYS A . n A 1 64 PRO 64 64 64 PRO PRO A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 GLU 67 67 67 GLU GLU A . n A 1 68 SER 68 68 68 SER SER A . n A 1 69 CYS 69 69 69 CYS CYS A . n A 1 70 ALA 70 70 70 ALA ALA A . n A 1 71 LYS 71 71 71 LYS LYS A . n A 1 72 ASN 72 72 72 ASN ASN A . n A 1 73 CYS 73 73 73 CYS CYS A . n A 1 74 ILE 74 74 74 ILE ILE A . n A 1 75 MET 75 75 75 MET MET A . n A 1 76 GLU 76 76 76 GLU GLU A . n A 1 77 GLY 77 77 77 GLY GLY A . n A 1 78 ILE 78 78 78 ILE ILE A . n A 1 79 PRO 79 79 79 PRO PRO A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 SER 82 82 82 SER SER A . n A 1 83 GLN 83 83 83 GLN GLN A . n A 1 84 TYR 84 84 84 TYR TYR A . n A 1 85 GLY 85 85 85 GLY GLY A . n A 1 86 VAL 86 86 86 VAL VAL A . n A 1 87 THR 87 87 87 THR THR A . n A 1 88 THR 88 88 88 THR THR A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 THR 91 91 91 THR THR A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 LEU 93 93 93 LEU LEU A . n A 1 94 ARG 94 94 94 ARG ARG A . n A 1 95 LEU 95 95 95 LEU LEU A . n A 1 96 GLN 96 96 96 GLN GLN A . n A 1 97 HIS 97 97 97 HIS HIS A . n A 1 98 ILE 98 98 98 ILE ILE A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 PRO 100 100 100 PRO PRO A . n A 1 101 ASP 101 101 101 ASP ASP A . n A 1 102 GLY 102 102 102 GLY GLY A . n A 1 103 ARG 103 103 103 ARG ARG A . n A 1 104 VAL 104 104 104 VAL VAL A . n A 1 105 PRO 105 105 105 PRO PRO A . n A 1 106 SER 106 106 106 SER SER A . n A 1 107 PRO 107 107 107 PRO PRO A . n A 1 108 ARG 108 108 108 ARG ARG A . n A 1 109 VAL 109 109 109 VAL VAL A . n A 1 110 TYR 110 110 110 TYR TYR A . n A 1 111 LEU 111 111 111 LEU LEU A . n A 1 112 LEU 112 112 112 LEU LEU A . n A 1 113 ASP 113 113 113 ASP ASP A . n A 1 114 LYS 114 114 114 LYS LYS A . n A 1 115 THR 115 115 115 THR THR A . n A 1 116 LYS 116 116 116 LYS LYS A . n A 1 117 ARG 117 117 117 ARG ARG A . n A 1 118 ARG 118 118 118 ARG ARG A . n A 1 119 TYR 119 119 119 TYR TYR A . n A 1 120 GLU 120 120 120 GLU GLU A . n A 1 121 MET 121 121 121 MET MET A . n A 1 122 LEU 122 122 122 LEU LEU A . n A 1 123 HIS 123 123 123 HIS HIS A . n A 1 124 LEU 124 124 124 LEU LEU A . n A 1 125 THR 125 125 125 THR THR A . n A 1 126 GLY 126 126 126 GLY GLY A . n A 1 127 PHE 127 127 127 PHE PHE A . n A 1 128 GLU 128 128 128 GLU GLU A . n A 1 129 PHE 129 129 129 PHE PHE A . n A 1 130 THR 130 130 130 THR THR A . n A 1 131 PHE 131 131 131 PHE PHE A . n A 1 132 ASP 132 132 132 ASP ASP A . n A 1 133 VAL 133 133 133 VAL VAL A . n A 1 134 ASP 134 134 134 ASP ASP A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 THR 136 136 136 THR THR A . n A 1 137 LYS 137 137 137 LYS LYS A . n A 1 138 LEU 138 138 138 LEU LEU A . n A 1 139 PRO 139 139 139 PRO PRO A . n A 1 140 CYS 140 140 140 CYS CYS A . n A 1 141 GLY 141 141 141 GLY GLY A . n A 1 142 MET 142 142 142 MET MET A . n A 1 143 ASN 143 143 143 ASN ASN A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 ALA 145 145 145 ALA ALA A . n A 1 146 LEU 146 146 146 LEU LEU A . n A 1 147 TYR 147 147 147 TYR TYR A . n A 1 148 LEU 148 148 148 LEU LEU A . n A 1 149 SER 149 149 149 SER SER A . n A 1 150 GLU 150 150 150 GLU GLU A . n A 1 151 MET 151 151 151 MET MET A . n A 1 152 HIS 152 152 152 HIS HIS A . n A 1 153 PRO 153 153 153 PRO PRO A . n A 1 154 THR 154 154 154 THR THR A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 ALA 156 156 156 ALA ALA A . n A 1 157 LYS 157 157 157 LYS LYS A . n A 1 158 SER 158 158 158 SER SER A . n A 1 159 LYS 159 159 159 LYS LYS A . n A 1 160 TYR 160 160 160 TYR TYR A . n A 1 161 ASN 161 161 161 ASN ASN A . n A 1 162 PRO 162 162 162 PRO PRO A . n A 1 163 GLY 163 163 163 GLY GLY A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 ALA 165 165 165 ALA ALA A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 TYR 167 167 167 TYR TYR A . n A 1 168 GLY 168 168 168 GLY GLY A . n A 1 169 THR 169 169 169 THR THR A . n A 1 170 GLY 170 170 170 GLY GLY A . n A 1 171 TYR 171 171 171 TYR TYR A . n A 1 172 CYS 172 172 172 CYS CYS A . n A 1 173 ASP 173 173 173 ASP ASP A . n A 1 174 ALA 174 174 174 ALA ALA A . n A 1 175 GLN 175 175 175 GLN GLN A . n A 1 176 CYS 176 176 176 CYS CYS A . n A 1 177 PHE 177 177 177 PHE PHE A . n A 1 178 VAL 178 178 178 VAL VAL A . n A 1 179 THR 179 179 179 THR THR A . n A 1 180 PRO 180 180 180 PRO PRO A . n A 1 181 PHE 181 181 181 PHE PHE A . n A 1 182 ILE 182 182 182 ILE ILE A . n A 1 183 ASN 183 183 183 ASN ASN A . n A 1 184 GLY 184 184 184 GLY GLY A . n A 1 185 LEU 185 185 185 LEU LEU A . n A 1 186 GLY 186 186 186 GLY GLY A . n A 1 187 ASN 187 187 187 ASN ASN A . n A 1 188 ILE 188 188 188 ILE ILE A . n A 1 189 GLU 189 189 189 GLU GLU A . n A 1 190 GLY 190 190 190 GLY GLY A . n A 1 191 LYS 191 191 191 LYS LYS A . n A 1 192 GLY 192 192 192 GLY GLY A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 CYS 194 194 194 CYS CYS A . n A 1 195 CYS 195 195 195 CYS CYS A . n A 1 196 ASN 196 196 196 ASN ASN A . n A 1 197 SER 197 197 197 SER SER A . n A 1 198 MET 198 198 198 MET MET A . n A 1 199 ASP 199 199 199 ASP ASP A . n A 1 200 ILE 200 200 200 ILE ILE A . n A 1 201 TRP 201 201 201 TRP TRP A . n A 1 202 GLU 202 202 202 GLU GLU A . n A 1 203 ALA 203 203 203 ALA ALA A . n A 1 204 ASN 204 204 204 ASN ASN A . n A 1 205 SER 205 205 205 SER SER A . n A 1 206 ARG 206 206 206 ARG ARG A . n A 1 207 ALA 207 207 207 ALA ALA A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 HIS 209 209 209 HIS HIS A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 ALA 211 211 211 ALA ALA A . n A 1 212 PRO 212 212 212 PRO PRO A . n A 1 213 HIS 213 213 213 HIS HIS A . n A 1 214 THR 214 214 214 THR THR A . n A 1 215 CYS 215 215 215 CYS CYS A . n A 1 216 ASN 216 216 216 ASN ASN A . n A 1 217 LYS 217 217 217 LYS LYS A . n A 1 218 LYS 218 218 218 LYS LYS A . n A 1 219 GLY 219 219 219 GLY GLY A . n A 1 220 LEU 220 220 220 LEU LEU A . n A 1 221 TYR 221 221 221 TYR TYR A . n A 1 222 LEU 222 222 222 LEU LEU A . n A 1 223 CYS 223 223 223 CYS CYS A . n A 1 224 GLU 224 224 224 GLU GLU A . n A 1 225 GLY 225 225 225 GLY GLY A . n A 1 226 GLU 226 226 226 GLU GLU A . n A 1 227 GLU 227 227 227 GLU GLU A . n A 1 228 CYS 228 228 228 CYS CYS A . n A 1 229 ALA 229 229 229 ALA ALA A . n A 1 230 PHE 230 230 230 PHE PHE A . n A 1 231 GLU 231 231 231 GLU GLU A . n A 1 232 GLY 232 232 232 GLY GLY A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 CYS 234 234 234 CYS CYS A . n A 1 235 ASP 235 235 235 ASP ASP A . n A 1 236 LYS 236 236 236 LYS LYS A . n A 1 237 ASN 237 237 237 ASN ASN A . n A 1 238 GLY 238 238 238 GLY GLY A . n A 1 239 CYS 239 239 239 CYS CYS A . n A 1 240 GLY 240 240 240 GLY GLY A . n A 1 241 TRP 241 241 241 TRP TRP A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 ASN 243 243 243 ASN ASN A . n A 1 244 TYR 244 244 244 TYR TYR A . n A 1 245 ARG 245 245 245 ARG ARG A . n A 1 246 VAL 246 246 246 VAL VAL A . n A 1 247 ASN 247 247 247 ASN ASN A . n A 1 248 VAL 248 248 248 VAL VAL A . n A 1 249 THR 249 249 249 THR THR A . n A 1 250 ASP 250 250 250 ASP ASP A . n A 1 251 TYR 251 251 251 TYR TYR A . n A 1 252 TYR 252 252 252 TYR TYR A . n A 1 253 GLY 253 253 253 GLY GLY A . n A 1 254 ARG 254 254 254 ARG ARG A . n A 1 255 GLY 255 255 255 GLY GLY A . n A 1 256 GLU 256 256 256 GLU GLU A . n A 1 257 GLU 257 257 257 GLU GLU A . n A 1 258 PHE 258 258 258 PHE PHE A . n A 1 259 LYS 259 259 259 LYS LYS A . n A 1 260 VAL 260 260 260 VAL VAL A . n A 1 261 ASN 261 261 261 ASN ASN A . n A 1 262 THR 262 262 262 THR THR A . n A 1 263 LEU 263 263 263 LEU LEU A . n A 1 264 LYS 264 264 264 LYS LYS A . n A 1 265 PRO 265 265 265 PRO PRO A . n A 1 266 PHE 266 266 266 PHE PHE A . n A 1 267 THR 267 267 267 THR THR A . n A 1 268 VAL 268 268 268 VAL VAL A . n A 1 269 VAL 269 269 269 VAL VAL A . n A 1 270 THR 270 270 270 THR THR A . n A 1 271 GLN 271 271 271 GLN GLN A . n A 1 272 PHE 272 272 272 PHE PHE A . n A 1 273 LEU 273 273 273 LEU LEU A . n A 1 274 ALA 274 274 274 ALA ALA A . n A 1 275 ASN 275 275 275 ASN ASN A . n A 1 276 ARG 276 276 276 ARG ARG A . n A 1 277 ARG 277 277 277 ARG ARG A . n A 1 278 GLY 278 278 278 GLY GLY A . n A 1 279 LYS 279 279 279 LYS LYS A . n A 1 280 LEU 280 280 280 LEU LEU A . n A 1 281 GLU 281 281 281 GLU GLU A . n A 1 282 LYS 282 282 282 LYS LYS A . n A 1 283 ILE 283 283 283 ILE ILE A . n A 1 284 HIS 284 284 284 HIS HIS A . n A 1 285 ARG 285 285 285 ARG ARG A . n A 1 286 PHE 286 286 286 PHE PHE A . n A 1 287 TYR 287 287 287 TYR TYR A . n A 1 288 VAL 288 288 288 VAL VAL A . n A 1 289 GLN 289 289 289 GLN GLN A . n A 1 290 ASP 290 290 290 ASP ASP A . n A 1 291 GLY 291 291 291 GLY GLY A . n A 1 292 LYS 292 292 292 LYS LYS A . n A 1 293 VAL 293 293 293 VAL VAL A . n A 1 294 ILE 294 294 294 ILE ILE A . n A 1 295 GLU 295 295 295 GLU GLU A . n A 1 296 SER 296 296 296 SER SER A . n A 1 297 PHE 297 297 297 PHE PHE A . n A 1 298 TYR 298 298 298 TYR TYR A . n A 1 299 THR 299 299 299 THR THR A . n A 1 300 ASN 300 300 300 ASN ASN A . n A 1 301 LYS 301 301 301 LYS LYS A . n A 1 302 GLU 302 302 302 GLU GLU A . n A 1 303 GLY 303 303 303 GLY GLY A . n A 1 304 VAL 304 304 304 VAL VAL A . n A 1 305 PRO 305 305 305 PRO PRO A . n A 1 306 TYR 306 306 306 TYR TYR A . n A 1 307 THR 307 307 307 THR THR A . n A 1 308 ASN 308 308 308 ASN ASN A . n A 1 309 MET 309 309 309 MET MET A . n A 1 310 ILE 310 310 310 ILE ILE A . n A 1 311 ASP 311 311 311 ASP ASP A . n A 1 312 ASP 312 312 312 ASP ASP A . n A 1 313 GLU 313 313 313 GLU GLU A . n A 1 314 PHE 314 314 314 PHE PHE A . n A 1 315 CYS 315 315 315 CYS CYS A . n A 1 316 GLU 316 316 316 GLU GLU A . n A 1 317 ALA 317 317 317 ALA ALA A . n A 1 318 THR 318 318 318 THR THR A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 SER 320 320 320 SER SER A . n A 1 321 ARG 321 321 321 ARG ARG A . n A 1 322 LYS 322 322 322 LYS LYS A . n A 1 323 TYR 323 323 323 TYR TYR A . n A 1 324 MET 324 324 324 MET MET A . n A 1 325 GLU 325 325 325 GLU GLU A . n A 1 326 LEU 326 326 326 LEU LEU A . n A 1 327 GLY 327 327 327 GLY GLY A . n A 1 328 ALA 328 328 328 ALA ALA A . n A 1 329 THR 329 329 329 THR THR A . n A 1 330 GLN 330 330 330 GLN GLN A . n A 1 331 GLY 331 331 331 GLY GLY A . n A 1 332 MET 332 332 332 MET MET A . n A 1 333 GLY 333 333 333 GLY GLY A . n A 1 334 GLU 334 334 334 GLU GLU A . n A 1 335 ALA 335 335 335 ALA ALA A . n A 1 336 LEU 336 336 336 LEU LEU A . n A 1 337 THR 337 337 337 THR THR A . n A 1 338 ARG 338 338 338 ARG ARG A . n A 1 339 GLY 339 339 339 GLY GLY A . n A 1 340 MET 340 340 340 MET MET A . n A 1 341 VAL 341 341 341 VAL VAL A . n A 1 342 LEU 342 342 342 LEU LEU A . n A 1 343 ALA 343 343 343 ALA ALA A . n A 1 344 MET 344 344 344 MET MET A . n A 1 345 SER 345 345 345 SER SER A . n A 1 346 ILE 346 346 346 ILE ILE A . n A 1 347 TRP 347 347 347 TRP TRP A . n A 1 348 TRP 348 348 348 TRP TRP A . n A 1 349 ASP 349 349 349 ASP ASP A . n A 1 350 GLN 350 350 350 GLN GLN A . n A 1 351 GLY 351 351 351 GLY GLY A . n A 1 352 GLY 352 352 352 GLY GLY A . n A 1 353 ASN 353 353 353 ASN ASN A . n A 1 354 MET 354 354 354 MET MET A . n A 1 355 GLU 355 355 355 GLU GLU A . n A 1 356 TRP 356 356 356 TRP TRP A . n A 1 357 LEU 357 357 357 LEU LEU A . n A 1 358 ASP 358 358 358 ASP ASP A . n A 1 359 HIS 359 359 359 HIS HIS A . n A 1 360 GLY 360 360 360 GLY GLY A . n A 1 361 GLU 361 361 361 GLU GLU A . n A 1 362 ALA 362 362 362 ALA ALA A . n A 1 363 GLY 363 363 363 GLY GLY A . n A 1 364 PRO 364 364 364 PRO PRO A . n A 1 365 CYS 365 365 365 CYS CYS A . n A 1 366 ALA 366 366 366 ALA ALA A . n A 1 367 LYS 367 367 367 LYS LYS A . n A 1 368 GLY 368 368 368 GLY GLY A . n A 1 369 GLU 369 369 369 GLU GLU A . n A 1 370 GLY 370 370 370 GLY GLY A . n A 1 371 ALA 371 371 371 ALA ALA A . n A 1 372 PRO 372 372 372 PRO PRO A . n A 1 373 SER 373 373 373 SER SER A . n A 1 374 ASN 374 374 374 ASN ASN A . n A 1 375 ILE 375 375 375 ILE ILE A . n A 1 376 VAL 376 376 376 VAL VAL A . n A 1 377 GLN 377 377 377 GLN GLN A . n A 1 378 VAL 378 378 378 VAL VAL A . n A 1 379 GLU 379 379 379 GLU GLU A . n A 1 380 PRO 380 380 380 PRO PRO A . n A 1 381 PHE 381 381 381 PHE PHE A . n A 1 382 PRO 382 382 382 PRO PRO A . n A 1 383 GLU 383 383 383 GLU GLU A . n A 1 384 VAL 384 384 384 VAL VAL A . n A 1 385 THR 385 385 385 THR THR A . n A 1 386 TYR 386 386 386 TYR TYR A . n A 1 387 THR 387 387 387 THR THR A . n A 1 388 ASN 388 388 388 ASN ASN A . n A 1 389 LEU 389 389 389 LEU LEU A . n A 1 390 ARG 390 390 390 ARG ARG A . n A 1 391 TRP 391 391 391 TRP TRP A . n A 1 392 GLY 392 392 392 GLY GLY A . n A 1 393 GLU 393 393 393 GLU GLU A . n A 1 394 ILE 394 394 394 ILE ILE A . n A 1 395 GLY 395 395 395 GLY GLY A . n A 1 396 SER 396 396 396 SER SER A . n A 1 397 THR 397 397 397 THR THR A . n A 1 398 TYR 398 398 398 TYR TYR A . n A 1 399 GLN 399 399 ? ? ? A . n A 1 400 GLU 400 400 ? ? ? A . n A 1 401 LEU 401 401 ? ? ? A . n A 1 402 GLN 402 402 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1400 1400 NAG NAG A . C 3 GOL 1 1401 1401 GOL GOL A . D 4 HOH 1 2001 2001 HOH HOH A . D 4 HOH 2 2002 2002 HOH HOH A . D 4 HOH 3 2003 2003 HOH HOH A . D 4 HOH 4 2004 2004 HOH HOH A . D 4 HOH 5 2005 2005 HOH HOH A . D 4 HOH 6 2006 2006 HOH HOH A . D 4 HOH 7 2007 2007 HOH HOH A . D 4 HOH 8 2008 2008 HOH HOH A . D 4 HOH 9 2009 2009 HOH HOH A . D 4 HOH 10 2010 2010 HOH HOH A . D 4 HOH 11 2011 2011 HOH HOH A . D 4 HOH 12 2012 2012 HOH HOH A . D 4 HOH 13 2013 2013 HOH HOH A . D 4 HOH 14 2014 2014 HOH HOH A . D 4 HOH 15 2015 2015 HOH HOH A . D 4 HOH 16 2016 2016 HOH HOH A . D 4 HOH 17 2017 2017 HOH HOH A . D 4 HOH 18 2018 2018 HOH HOH A . D 4 HOH 19 2019 2019 HOH HOH A . D 4 HOH 20 2020 2020 HOH HOH A . D 4 HOH 21 2021 2021 HOH HOH A . D 4 HOH 22 2022 2022 HOH HOH A . D 4 HOH 23 2023 2023 HOH HOH A . D 4 HOH 24 2024 2024 HOH HOH A . D 4 HOH 25 2025 2025 HOH HOH A . D 4 HOH 26 2026 2026 HOH HOH A . D 4 HOH 27 2027 2027 HOH HOH A . D 4 HOH 28 2028 2028 HOH HOH A . D 4 HOH 29 2029 2029 HOH HOH A . D 4 HOH 30 2030 2030 HOH HOH A . D 4 HOH 31 2031 2031 HOH HOH A . D 4 HOH 32 2032 2032 HOH HOH A . D 4 HOH 33 2033 2033 HOH HOH A . D 4 HOH 34 2034 2034 HOH HOH A . D 4 HOH 35 2035 2035 HOH HOH A . D 4 HOH 36 2036 2036 HOH HOH A . D 4 HOH 37 2037 2037 HOH HOH A . D 4 HOH 38 2038 2038 HOH HOH A . D 4 HOH 39 2039 2039 HOH HOH A . D 4 HOH 40 2040 2040 HOH HOH A . D 4 HOH 41 2041 2041 HOH HOH A . D 4 HOH 42 2042 2042 HOH HOH A . D 4 HOH 43 2043 2043 HOH HOH A . D 4 HOH 44 2044 2044 HOH HOH A . D 4 HOH 45 2045 2045 HOH HOH A . D 4 HOH 46 2046 2046 HOH HOH A . D 4 HOH 47 2047 2047 HOH HOH A . D 4 HOH 48 2048 2048 HOH HOH A . D 4 HOH 49 2049 2049 HOH HOH A . D 4 HOH 50 2050 2050 HOH HOH A . D 4 HOH 51 2051 2051 HOH HOH A . D 4 HOH 52 2052 2052 HOH HOH A . D 4 HOH 53 2053 2053 HOH HOH A . D 4 HOH 54 2054 2054 HOH HOH A . D 4 HOH 55 2055 2055 HOH HOH A . D 4 HOH 56 2056 2056 HOH HOH A . D 4 HOH 57 2057 2057 HOH HOH A . D 4 HOH 58 2058 2058 HOH HOH A . D 4 HOH 59 2059 2059 HOH HOH A . D 4 HOH 60 2060 2060 HOH HOH A . D 4 HOH 61 2061 2061 HOH HOH A . D 4 HOH 62 2062 2062 HOH HOH A . D 4 HOH 63 2063 2063 HOH HOH A . D 4 HOH 64 2064 2064 HOH HOH A . D 4 HOH 65 2065 2065 HOH HOH A . D 4 HOH 66 2066 2066 HOH HOH A . D 4 HOH 67 2067 2067 HOH HOH A . D 4 HOH 68 2068 2068 HOH HOH A . D 4 HOH 69 2069 2069 HOH HOH A . D 4 HOH 70 2070 2070 HOH HOH A . D 4 HOH 71 2071 2071 HOH HOH A . D 4 HOH 72 2072 2072 HOH HOH A . D 4 HOH 73 2073 2073 HOH HOH A . D 4 HOH 74 2074 2074 HOH HOH A . D 4 HOH 75 2075 2075 HOH HOH A . D 4 HOH 76 2076 2076 HOH HOH A . D 4 HOH 77 2077 2077 HOH HOH A . D 4 HOH 78 2078 2078 HOH HOH A . D 4 HOH 79 2079 2079 HOH HOH A . D 4 HOH 80 2080 2080 HOH HOH A . D 4 HOH 81 2081 2081 HOH HOH A . D 4 HOH 82 2082 2082 HOH HOH A . D 4 HOH 83 2083 2083 HOH HOH A . D 4 HOH 84 2084 2084 HOH HOH A . D 4 HOH 85 2085 2085 HOH HOH A . D 4 HOH 86 2086 2086 HOH HOH A . D 4 HOH 87 2087 2087 HOH HOH A . D 4 HOH 88 2088 2088 HOH HOH A . D 4 HOH 89 2089 2089 HOH HOH A . D 4 HOH 90 2090 2090 HOH HOH A . D 4 HOH 91 2091 2091 HOH HOH A . D 4 HOH 92 2092 2092 HOH HOH A . D 4 HOH 93 2093 2093 HOH HOH A . D 4 HOH 94 2094 2094 HOH HOH A . D 4 HOH 95 2095 2095 HOH HOH A . D 4 HOH 96 2096 2096 HOH HOH A . D 4 HOH 97 2097 2097 HOH HOH A . D 4 HOH 98 2098 2098 HOH HOH A . D 4 HOH 99 2099 2099 HOH HOH A . D 4 HOH 100 2100 2100 HOH HOH A . D 4 HOH 101 2101 2101 HOH HOH A . D 4 HOH 102 2102 2102 HOH HOH A . D 4 HOH 103 2103 2103 HOH HOH A . D 4 HOH 104 2104 2104 HOH HOH A . D 4 HOH 105 2105 2105 HOH HOH A . D 4 HOH 106 2106 2106 HOH HOH A . D 4 HOH 107 2107 2107 HOH HOH A . D 4 HOH 108 2108 2108 HOH HOH A . D 4 HOH 109 2109 2109 HOH HOH A . D 4 HOH 110 2110 2110 HOH HOH A . D 4 HOH 111 2111 2111 HOH HOH A . D 4 HOH 112 2112 2112 HOH HOH A . D 4 HOH 113 2113 2113 HOH HOH A . D 4 HOH 114 2114 2114 HOH HOH A . D 4 HOH 115 2115 2115 HOH HOH A . D 4 HOH 116 2116 2116 HOH HOH A . D 4 HOH 117 2117 2117 HOH HOH A . D 4 HOH 118 2118 2118 HOH HOH A . D 4 HOH 119 2119 2119 HOH HOH A . D 4 HOH 120 2120 2120 HOH HOH A . D 4 HOH 121 2121 2121 HOH HOH A . D 4 HOH 122 2122 2122 HOH HOH A . D 4 HOH 123 2123 2123 HOH HOH A . D 4 HOH 124 2124 2124 HOH HOH A . D 4 HOH 125 2125 2125 HOH HOH A . D 4 HOH 126 2126 2126 HOH HOH A . D 4 HOH 127 2127 2127 HOH HOH A . D 4 HOH 128 2128 2128 HOH HOH A . D 4 HOH 129 2129 2129 HOH HOH A . D 4 HOH 130 2130 2130 HOH HOH A . D 4 HOH 131 2131 2131 HOH HOH A . D 4 HOH 132 2132 2132 HOH HOH A . D 4 HOH 133 2133 2133 HOH HOH A . D 4 HOH 134 2134 2134 HOH HOH A . D 4 HOH 135 2135 2135 HOH HOH A . D 4 HOH 136 2136 2136 HOH HOH A . D 4 HOH 137 2137 2137 HOH HOH A . D 4 HOH 138 2138 2138 HOH HOH A . D 4 HOH 139 2139 2139 HOH HOH A . D 4 HOH 140 2140 2140 HOH HOH A . D 4 HOH 141 2141 2141 HOH HOH A . D 4 HOH 142 2142 2142 HOH HOH A . D 4 HOH 143 2143 2143 HOH HOH A . D 4 HOH 144 2144 2144 HOH HOH A . D 4 HOH 145 2145 2145 HOH HOH A . D 4 HOH 146 2146 2146 HOH HOH A . D 4 HOH 147 2147 2147 HOH HOH A . D 4 HOH 148 2148 2148 HOH HOH A . D 4 HOH 149 2149 2149 HOH HOH A . D 4 HOH 150 2150 2150 HOH HOH A . D 4 HOH 151 2151 2151 HOH HOH A . D 4 HOH 152 2152 2152 HOH HOH A . D 4 HOH 153 2153 2153 HOH HOH A . D 4 HOH 154 2154 2154 HOH HOH A . D 4 HOH 155 2155 2155 HOH HOH A . D 4 HOH 156 2156 2156 HOH HOH A . D 4 HOH 157 2157 2157 HOH HOH A . D 4 HOH 158 2158 2158 HOH HOH A . D 4 HOH 159 2159 2159 HOH HOH A . D 4 HOH 160 2160 2160 HOH HOH A . D 4 HOH 161 2161 2161 HOH HOH A . D 4 HOH 162 2162 2162 HOH HOH A . D 4 HOH 163 2163 2163 HOH HOH A . D 4 HOH 164 2164 2164 HOH HOH A . D 4 HOH 165 2165 2165 HOH HOH A . D 4 HOH 166 2166 2166 HOH HOH A . D 4 HOH 167 2167 2167 HOH HOH A . D 4 HOH 168 2168 2168 HOH HOH A . D 4 HOH 169 2169 2169 HOH HOH A . D 4 HOH 170 2170 2170 HOH HOH A . D 4 HOH 171 2171 2171 HOH HOH A . D 4 HOH 172 2172 2172 HOH HOH A . D 4 HOH 173 2173 2173 HOH HOH A . D 4 HOH 174 2174 2174 HOH HOH A . D 4 HOH 175 2175 2175 HOH HOH A . D 4 HOH 176 2176 2176 HOH HOH A . D 4 HOH 177 2177 2177 HOH HOH A . D 4 HOH 178 2178 2178 HOH HOH A . D 4 HOH 179 2179 2179 HOH HOH A . D 4 HOH 180 2180 2180 HOH HOH A . D 4 HOH 181 2181 2181 HOH HOH A . D 4 HOH 182 2182 2182 HOH HOH A . D 4 HOH 183 2183 2183 HOH HOH A . D 4 HOH 184 2184 2184 HOH HOH A . D 4 HOH 185 2185 2185 HOH HOH A . D 4 HOH 186 2186 2186 HOH HOH A . D 4 HOH 187 2187 2187 HOH HOH A . D 4 HOH 188 2188 2188 HOH HOH A . D 4 HOH 189 2189 2189 HOH HOH A . D 4 HOH 190 2190 2190 HOH HOH A . D 4 HOH 191 2191 2191 HOH HOH A . D 4 HOH 192 2192 2192 HOH HOH A . D 4 HOH 193 2193 2193 HOH HOH A . D 4 HOH 194 2194 2194 HOH HOH A . D 4 HOH 195 2195 2195 HOH HOH A . D 4 HOH 196 2196 2196 HOH HOH A . D 4 HOH 197 2197 2197 HOH HOH A . D 4 HOH 198 2198 2198 HOH HOH A . D 4 HOH 199 2199 2199 HOH HOH A . D 4 HOH 200 2200 2200 HOH HOH A . D 4 HOH 201 2201 2201 HOH HOH A . D 4 HOH 202 2202 2202 HOH HOH A . D 4 HOH 203 2203 2203 HOH HOH A . D 4 HOH 204 2204 2204 HOH HOH A . D 4 HOH 205 2205 2205 HOH HOH A . D 4 HOH 206 2206 2206 HOH HOH A . D 4 HOH 207 2207 2207 HOH HOH A . D 4 HOH 208 2208 2208 HOH HOH A . D 4 HOH 209 2209 2209 HOH HOH A . D 4 HOH 210 2210 2210 HOH HOH A . D 4 HOH 211 2211 2211 HOH HOH A . D 4 HOH 212 2212 2212 HOH HOH A . D 4 HOH 213 2213 2213 HOH HOH A . D 4 HOH 214 2214 2214 HOH HOH A . D 4 HOH 215 2215 2215 HOH HOH A . D 4 HOH 216 2216 2216 HOH HOH A . D 4 HOH 217 2217 2217 HOH HOH A . D 4 HOH 218 2218 2218 HOH HOH A . D 4 HOH 219 2219 2219 HOH HOH A . D 4 HOH 220 2220 2220 HOH HOH A . D 4 HOH 221 2221 2221 HOH HOH A . D 4 HOH 222 2222 2222 HOH HOH A . D 4 HOH 223 2223 2223 HOH HOH A . D 4 HOH 224 2224 2224 HOH HOH A . D 4 HOH 225 2225 2225 HOH HOH A . D 4 HOH 226 2226 2226 HOH HOH A . D 4 HOH 227 2227 2227 HOH HOH A . D 4 HOH 228 2228 2228 HOH HOH A . D 4 HOH 229 2229 2229 HOH HOH A . D 4 HOH 230 2230 2230 HOH HOH A . D 4 HOH 231 2231 2231 HOH HOH A . D 4 HOH 232 2232 2232 HOH HOH A . D 4 HOH 233 2233 2233 HOH HOH A . D 4 HOH 234 2234 2234 HOH HOH A . D 4 HOH 235 2235 2235 HOH HOH A . D 4 HOH 236 2236 2236 HOH HOH A . D 4 HOH 237 2237 2237 HOH HOH A . D 4 HOH 238 2238 2238 HOH HOH A . D 4 HOH 239 2239 2239 HOH HOH A . D 4 HOH 240 2240 2240 HOH HOH A . D 4 HOH 241 2241 2241 HOH HOH A . D 4 HOH 242 2242 2242 HOH HOH A . D 4 HOH 243 2243 2243 HOH HOH A . D 4 HOH 244 2244 2244 HOH HOH A . D 4 HOH 245 2245 2245 HOH HOH A . D 4 HOH 246 2246 2246 HOH HOH A . D 4 HOH 247 2247 2247 HOH HOH A . D 4 HOH 248 2248 2248 HOH HOH A . D 4 HOH 249 2249 2249 HOH HOH A . D 4 HOH 250 2250 2250 HOH HOH A . D 4 HOH 251 2251 2251 HOH HOH A . D 4 HOH 252 2252 2252 HOH HOH A . D 4 HOH 253 2253 2253 HOH HOH A . D 4 HOH 254 2254 2254 HOH HOH A . D 4 HOH 255 2255 2255 HOH HOH A . D 4 HOH 256 2256 2256 HOH HOH A . D 4 HOH 257 2257 2257 HOH HOH A . D 4 HOH 258 2258 2258 HOH HOH A . D 4 HOH 259 2259 2259 HOH HOH A . D 4 HOH 260 2260 2260 HOH HOH A . D 4 HOH 261 2261 2261 HOH HOH A . D 4 HOH 262 2262 2262 HOH HOH A . D 4 HOH 263 2263 2263 HOH HOH A . D 4 HOH 264 2264 2264 HOH HOH A . D 4 HOH 265 2265 2265 HOH HOH A . D 4 HOH 266 2266 2266 HOH HOH A . D 4 HOH 267 2267 2267 HOH HOH A . D 4 HOH 268 2268 2268 HOH HOH A . D 4 HOH 269 2269 2269 HOH HOH A . D 4 HOH 270 2270 2270 HOH HOH A . D 4 HOH 271 2271 2271 HOH HOH A . D 4 HOH 272 2272 2272 HOH HOH A . D 4 HOH 273 2273 2273 HOH HOH A . D 4 HOH 274 2274 2274 HOH HOH A . D 4 HOH 275 2275 2275 HOH HOH A . D 4 HOH 276 2276 2276 HOH HOH A . D 4 HOH 277 2277 2277 HOH HOH A . D 4 HOH 278 2278 2278 HOH HOH A . D 4 HOH 279 2279 2279 HOH HOH A . D 4 HOH 280 2280 2280 HOH HOH A . D 4 HOH 281 2281 2281 HOH HOH A . D 4 HOH 282 2282 2282 HOH HOH A . D 4 HOH 283 2283 2283 HOH HOH A . D 4 HOH 284 2284 2284 HOH HOH A . D 4 HOH 285 2285 2285 HOH HOH A . D 4 HOH 286 2286 2286 HOH HOH A . D 4 HOH 287 2287 2287 HOH HOH A . D 4 HOH 288 2288 2288 HOH HOH A . D 4 HOH 289 2289 2289 HOH HOH A . D 4 HOH 290 2290 2290 HOH HOH A . D 4 HOH 291 2291 2291 HOH HOH A . D 4 HOH 292 2292 2292 HOH HOH A . D 4 HOH 293 2293 2293 HOH HOH A . D 4 HOH 294 2294 2294 HOH HOH A . D 4 HOH 295 2295 2295 HOH HOH A . D 4 HOH 296 2296 2296 HOH HOH A . D 4 HOH 297 2297 2297 HOH HOH A . D 4 HOH 298 2298 2298 HOH HOH A . D 4 HOH 299 2299 2299 HOH HOH A . D 4 HOH 300 2300 2300 HOH HOH A . D 4 HOH 301 2301 2301 HOH HOH A . D 4 HOH 302 2302 2302 HOH HOH A . D 4 HOH 303 2303 2303 HOH HOH A . D 4 HOH 304 2304 2304 HOH HOH A . D 4 HOH 305 2305 2305 HOH HOH A . D 4 HOH 306 2306 2306 HOH HOH A . D 4 HOH 307 2307 2307 HOH HOH A . D 4 HOH 308 2308 2308 HOH HOH A . D 4 HOH 309 2309 2309 HOH HOH A . D 4 HOH 310 2310 2310 HOH HOH A . D 4 HOH 311 2311 2311 HOH HOH A . D 4 HOH 312 2312 2312 HOH HOH A . D 4 HOH 313 2313 2313 HOH HOH A . D 4 HOH 314 2314 2314 HOH HOH A . D 4 HOH 315 2315 2315 HOH HOH A . D 4 HOH 316 2316 2316 HOH HOH A . D 4 HOH 317 2317 2317 HOH HOH A . D 4 HOH 318 2318 2318 HOH HOH A . D 4 HOH 319 2319 2319 HOH HOH A . D 4 HOH 320 2320 2320 HOH HOH A . D 4 HOH 321 2321 2321 HOH HOH A . D 4 HOH 322 2322 2322 HOH HOH A . D 4 HOH 323 2323 2323 HOH HOH A . D 4 HOH 324 2324 2324 HOH HOH A . D 4 HOH 325 2325 2325 HOH HOH A . D 4 HOH 326 2326 2326 HOH HOH A . D 4 HOH 327 2327 2327 HOH HOH A . D 4 HOH 328 2328 2328 HOH HOH A . D 4 HOH 329 2329 2329 HOH HOH A . D 4 HOH 330 2330 2330 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 247 A ASN 247 ? ASN 'GLYCOSYLATION SITE' 2 A PCA 1 A PCA 1 ? GLU 'PYROGLUTAMIC ACID' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PQS _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 # _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 2004-01-07 2 'Structure model' 1 1 2011-05-08 3 'Structure model' 1 2 2011-07-13 # _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' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.1.9999 ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. ; # _pdbx_entry_details.entry_id 1OJI _pdbx_entry_details.compound_details ;ENGINEERED RESIDUE GLU 197 SER N-LINKED N-ACETYLGLUCOSAMINE ON RESIDUE ASN 247, PYROGLUTAMATE POST-TRANSLATIONAL MODIFICATION ON RESIDUE 1 ; _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;PYROGLUTAMATE POST-TRANSLATIONAL MODIFICATION AT RESIDUE 1, MUTATION E197S, MISSING LAST FOUR RESIDUES. ; # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 65 ? ? CG A ASP 65 ? ? OD2 A ASP 65 ? ? 123.72 118.30 5.42 0.90 N 2 1 CB A ASP 101 ? B CG A ASP 101 ? B OD2 A ASP 101 ? B 124.02 118.30 5.72 0.90 N 3 1 CB A ASP 132 ? ? CG A ASP 132 ? ? OD2 A ASP 132 ? ? 125.06 118.30 6.76 0.90 N 4 1 CB A ASP 199 ? ? CG A ASP 199 ? ? OD2 A ASP 199 ? ? 126.42 118.30 8.12 0.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 TRP A 54 ? ? -39.59 135.83 2 1 VAL A 104 ? ? -113.62 78.09 3 1 LYS A 116 ? ? 69.53 -1.93 4 1 CYS A 140 ? ? -38.72 128.12 5 1 ASN A 161 ? ? -119.59 70.99 6 1 ALA A 211 ? ? -160.69 114.99 7 1 ASN A 300 ? ? -148.67 58.58 8 1 ALA A 328 ? ? 50.54 -164.39 9 1 ASP A 358 ? ? -148.29 11.08 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 2006 ? 6.18 . 2 1 O ? A HOH 2020 ? 6.35 . 3 1 O ? A HOH 2021 ? 5.90 . 4 1 O ? A HOH 2048 ? 6.58 . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLN 399 ? A GLN 399 2 1 Y 1 A GLU 400 ? A GLU 400 3 1 Y 1 A LEU 401 ? A LEU 401 4 1 Y 1 A GLN 402 ? A GLN 402 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 GLYCEROL GOL 4 water HOH #