data_3MM2 # _entry.id 3MM2 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3MM2 RCSB RCSB058714 WWPDB D_1000058714 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3MM1 . unspecified PDB 3MM3 . unspecified # _pdbx_database_status.entry_id 3MM2 _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.recvd_initial_deposition_date 2010-04-19 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Sugano, Y.' 1 'Yoshida, T.' 2 'Tsuge, H.' 3 # _citation.id primary _citation.title 'The catalytic mechanism of dye-decolorizing peroxidase DyP may require the swinging movement of an aspartic acid residue' _citation.journal_abbrev 'Febs J.' _citation.journal_volume 278 _citation.page_first 2387 _citation.page_last 2394 _citation.year 2011 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 1742-464X _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21569205 _citation.pdbx_database_id_DOI 10.1111/j.1742-4658.2011.08161.x # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yoshida, T.' 1 primary 'Tsuge, H.' 2 primary 'Konno, H.' 3 primary 'Hisabori, T.' 4 primary 'Sugano, Y.' 5 # _cell.length_a 46.958 _cell.length_b 95.915 _cell.length_c 50.322 _cell.angle_alpha 90.000 _cell.angle_beta 103.800 _cell.angle_gamma 90.000 _cell.entry_id 3MM2 _cell.pdbx_unique_axis ? _cell.Z_PDB 2 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.entry_id 3MM2 _symmetry.Int_Tables_number 4 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man DyP 47497.344 1 1.11.1.19 ? 'residues in UNP 57-498' ? 2 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 4 non-polymer syn 'CYANIDE ION' 26.017 1 ? ? ? ? 5 water nat water 18.015 189 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'dye-decolorizing peroxidase' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ANDTILPLNNIQGDILVGMKKQKERFVFFQVNDATSFKTALKTYVPERITSAAILISDPSQQPLAFVNLGFSNTGLQALG ITDDLGDAQFPDGQFADAANLGDDLSQWVAPFTGTTIHGVFLIGSDQDDFLDQFTDDISSTFGSSITQVQALSGSARPGD QAGHEHFGFLDGISQPSVTGWETTVFPGQAVVPPGIILTGRDGDTGTRPSWALDGSFMAFRHFQQKVPEFNAYTLANAIP ANSAGNLTQQEGAEFLGARMFGRWKSGAPIDLAPTADDPALGADPQRNNNFDYSDTLTDETRCPFGAHVRKTNPRQDLGG PVDTFHAMRSSIPYGPETSDAELASGVTAQDRGLLFVEYQSIIGNGFRFQQINWANNANFPFSKPITPGIEPIIGQTTPR TVGGLDPLNQNETFTVPLFVIPKGGEYFFLPSISALTATIAA ; _entity_poly.pdbx_seq_one_letter_code_can ;ANDTILPLNNIQGDILVGMKKQKERFVFFQVNDATSFKTALKTYVPERITSAAILISDPSQQPLAFVNLGFSNTGLQALG ITDDLGDAQFPDGQFADAANLGDDLSQWVAPFTGTTIHGVFLIGSDQDDFLDQFTDDISSTFGSSITQVQALSGSARPGD QAGHEHFGFLDGISQPSVTGWETTVFPGQAVVPPGIILTGRDGDTGTRPSWALDGSFMAFRHFQQKVPEFNAYTLANAIP ANSAGNLTQQEGAEFLGARMFGRWKSGAPIDLAPTADDPALGADPQRNNNFDYSDTLTDETRCPFGAHVRKTNPRQDLGG PVDTFHAMRSSIPYGPETSDAELASGVTAQDRGLLFVEYQSIIGNGFRFQQINWANNANFPFSKPITPGIEPIIGQTTPR TVGGLDPLNQNETFTVPLFVIPKGGEYFFLPSISALTATIAA ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA n 1 2 ASN n 1 3 ASP n 1 4 THR n 1 5 ILE n 1 6 LEU n 1 7 PRO n 1 8 LEU n 1 9 ASN n 1 10 ASN n 1 11 ILE n 1 12 GLN n 1 13 GLY n 1 14 ASP n 1 15 ILE n 1 16 LEU n 1 17 VAL n 1 18 GLY n 1 19 MET n 1 20 LYS n 1 21 LYS n 1 22 GLN n 1 23 LYS n 1 24 GLU n 1 25 ARG n 1 26 PHE n 1 27 VAL n 1 28 PHE n 1 29 PHE n 1 30 GLN n 1 31 VAL n 1 32 ASN n 1 33 ASP n 1 34 ALA n 1 35 THR n 1 36 SER n 1 37 PHE n 1 38 LYS n 1 39 THR n 1 40 ALA n 1 41 LEU n 1 42 LYS n 1 43 THR n 1 44 TYR n 1 45 VAL n 1 46 PRO n 1 47 GLU n 1 48 ARG n 1 49 ILE n 1 50 THR n 1 51 SER n 1 52 ALA n 1 53 ALA n 1 54 ILE n 1 55 LEU n 1 56 ILE n 1 57 SER n 1 58 ASP n 1 59 PRO n 1 60 SER n 1 61 GLN n 1 62 GLN n 1 63 PRO n 1 64 LEU n 1 65 ALA n 1 66 PHE n 1 67 VAL n 1 68 ASN n 1 69 LEU n 1 70 GLY n 1 71 PHE n 1 72 SER n 1 73 ASN n 1 74 THR n 1 75 GLY n 1 76 LEU n 1 77 GLN n 1 78 ALA n 1 79 LEU n 1 80 GLY n 1 81 ILE n 1 82 THR n 1 83 ASP n 1 84 ASP n 1 85 LEU n 1 86 GLY n 1 87 ASP n 1 88 ALA n 1 89 GLN n 1 90 PHE n 1 91 PRO n 1 92 ASP n 1 93 GLY n 1 94 GLN n 1 95 PHE n 1 96 ALA n 1 97 ASP n 1 98 ALA n 1 99 ALA n 1 100 ASN n 1 101 LEU n 1 102 GLY n 1 103 ASP n 1 104 ASP n 1 105 LEU n 1 106 SER n 1 107 GLN n 1 108 TRP n 1 109 VAL n 1 110 ALA n 1 111 PRO n 1 112 PHE n 1 113 THR n 1 114 GLY n 1 115 THR n 1 116 THR n 1 117 ILE n 1 118 HIS n 1 119 GLY n 1 120 VAL n 1 121 PHE n 1 122 LEU n 1 123 ILE n 1 124 GLY n 1 125 SER n 1 126 ASP n 1 127 GLN n 1 128 ASP n 1 129 ASP n 1 130 PHE n 1 131 LEU n 1 132 ASP n 1 133 GLN n 1 134 PHE n 1 135 THR n 1 136 ASP n 1 137 ASP n 1 138 ILE n 1 139 SER n 1 140 SER n 1 141 THR n 1 142 PHE n 1 143 GLY n 1 144 SER n 1 145 SER n 1 146 ILE n 1 147 THR n 1 148 GLN n 1 149 VAL n 1 150 GLN n 1 151 ALA n 1 152 LEU n 1 153 SER n 1 154 GLY n 1 155 SER n 1 156 ALA n 1 157 ARG n 1 158 PRO n 1 159 GLY n 1 160 ASP n 1 161 GLN n 1 162 ALA n 1 163 GLY n 1 164 HIS n 1 165 GLU n 1 166 HIS n 1 167 PHE n 1 168 GLY n 1 169 PHE n 1 170 LEU n 1 171 ASP n 1 172 GLY n 1 173 ILE n 1 174 SER n 1 175 GLN n 1 176 PRO n 1 177 SER n 1 178 VAL n 1 179 THR n 1 180 GLY n 1 181 TRP n 1 182 GLU n 1 183 THR n 1 184 THR n 1 185 VAL n 1 186 PHE n 1 187 PRO n 1 188 GLY n 1 189 GLN n 1 190 ALA n 1 191 VAL n 1 192 VAL n 1 193 PRO n 1 194 PRO n 1 195 GLY n 1 196 ILE n 1 197 ILE n 1 198 LEU n 1 199 THR n 1 200 GLY n 1 201 ARG n 1 202 ASP n 1 203 GLY n 1 204 ASP n 1 205 THR n 1 206 GLY n 1 207 THR n 1 208 ARG n 1 209 PRO n 1 210 SER n 1 211 TRP n 1 212 ALA n 1 213 LEU n 1 214 ASP n 1 215 GLY n 1 216 SER n 1 217 PHE n 1 218 MET n 1 219 ALA n 1 220 PHE n 1 221 ARG n 1 222 HIS n 1 223 PHE n 1 224 GLN n 1 225 GLN n 1 226 LYS n 1 227 VAL n 1 228 PRO n 1 229 GLU n 1 230 PHE n 1 231 ASN n 1 232 ALA n 1 233 TYR n 1 234 THR n 1 235 LEU n 1 236 ALA n 1 237 ASN n 1 238 ALA n 1 239 ILE n 1 240 PRO n 1 241 ALA n 1 242 ASN n 1 243 SER n 1 244 ALA n 1 245 GLY n 1 246 ASN n 1 247 LEU n 1 248 THR n 1 249 GLN n 1 250 GLN n 1 251 GLU n 1 252 GLY n 1 253 ALA n 1 254 GLU n 1 255 PHE n 1 256 LEU n 1 257 GLY n 1 258 ALA n 1 259 ARG n 1 260 MET n 1 261 PHE n 1 262 GLY n 1 263 ARG n 1 264 TRP n 1 265 LYS n 1 266 SER n 1 267 GLY n 1 268 ALA n 1 269 PRO n 1 270 ILE n 1 271 ASP n 1 272 LEU n 1 273 ALA n 1 274 PRO n 1 275 THR n 1 276 ALA n 1 277 ASP n 1 278 ASP n 1 279 PRO n 1 280 ALA n 1 281 LEU n 1 282 GLY n 1 283 ALA n 1 284 ASP n 1 285 PRO n 1 286 GLN n 1 287 ARG n 1 288 ASN n 1 289 ASN n 1 290 ASN n 1 291 PHE n 1 292 ASP n 1 293 TYR n 1 294 SER n 1 295 ASP n 1 296 THR n 1 297 LEU n 1 298 THR n 1 299 ASP n 1 300 GLU n 1 301 THR n 1 302 ARG n 1 303 CYS n 1 304 PRO n 1 305 PHE n 1 306 GLY n 1 307 ALA n 1 308 HIS n 1 309 VAL n 1 310 ARG n 1 311 LYS n 1 312 THR n 1 313 ASN n 1 314 PRO n 1 315 ARG n 1 316 GLN n 1 317 ASP n 1 318 LEU n 1 319 GLY n 1 320 GLY n 1 321 PRO n 1 322 VAL n 1 323 ASP n 1 324 THR n 1 325 PHE n 1 326 HIS n 1 327 ALA n 1 328 MET n 1 329 ARG n 1 330 SER n 1 331 SER n 1 332 ILE n 1 333 PRO n 1 334 TYR n 1 335 GLY n 1 336 PRO n 1 337 GLU n 1 338 THR n 1 339 SER n 1 340 ASP n 1 341 ALA n 1 342 GLU n 1 343 LEU n 1 344 ALA n 1 345 SER n 1 346 GLY n 1 347 VAL n 1 348 THR n 1 349 ALA n 1 350 GLN n 1 351 ASP n 1 352 ARG n 1 353 GLY n 1 354 LEU n 1 355 LEU n 1 356 PHE n 1 357 VAL n 1 358 GLU n 1 359 TYR n 1 360 GLN n 1 361 SER n 1 362 ILE n 1 363 ILE n 1 364 GLY n 1 365 ASN n 1 366 GLY n 1 367 PHE n 1 368 ARG n 1 369 PHE n 1 370 GLN n 1 371 GLN n 1 372 ILE n 1 373 ASN n 1 374 TRP n 1 375 ALA n 1 376 ASN n 1 377 ASN n 1 378 ALA n 1 379 ASN n 1 380 PHE n 1 381 PRO n 1 382 PHE n 1 383 SER n 1 384 LYS n 1 385 PRO n 1 386 ILE n 1 387 THR n 1 388 PRO n 1 389 GLY n 1 390 ILE n 1 391 GLU n 1 392 PRO n 1 393 ILE n 1 394 ILE n 1 395 GLY n 1 396 GLN n 1 397 THR n 1 398 THR n 1 399 PRO n 1 400 ARG n 1 401 THR n 1 402 VAL n 1 403 GLY n 1 404 GLY n 1 405 LEU n 1 406 ASP n 1 407 PRO n 1 408 LEU n 1 409 ASN n 1 410 GLN n 1 411 ASN n 1 412 GLU n 1 413 THR n 1 414 PHE n 1 415 THR n 1 416 VAL n 1 417 PRO n 1 418 LEU n 1 419 PHE n 1 420 VAL n 1 421 ILE n 1 422 PRO n 1 423 LYS n 1 424 GLY n 1 425 GLY n 1 426 GLU n 1 427 TYR n 1 428 PHE n 1 429 PHE n 1 430 LEU n 1 431 PRO n 1 432 SER n 1 433 ILE n 1 434 SER n 1 435 ALA n 1 436 LEU n 1 437 THR n 1 438 ALA n 1 439 THR n 1 440 ILE n 1 441 ALA n 1 442 ALA 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 dyp _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 'Bjerkandera adusta' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 5331 _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 M-2-3 _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pTAex3 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code Q8WZK8_THACU _struct_ref.pdbx_db_accession Q8WZK8 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;ANDTILPLNNIQGDILVGMKKQKERFVFFQVNDATSFKTALKTYVPERITSAAILISDPSQQPLAFVNLGFSNTGLQALG ITDDLGDAQFPDGQFADAANLGDDLSQWVAPFTGTTIHGVFLIGSDQDDFLDQFTDDISSTFGSSITQVQALSGSARPGD QAGHEHFGFLDGISQPSVTGWETTVFPGQAVVPPGIILTGRDGDTGTRPSWALDGSFMAFRHFQQKVPEFNAYTLANAIP ANSAGNLTQQEGAEFLGARMFGRWKSGAPIDLAPTADDPALGADPQRNNNFDYSDTLTDETRCPFGAHVRKTNPRQDLGG PVDTFHAMRSSIPYGPETSDAELASGVTAQDRGLLFVEYQSIIGNGFRFQQINWANNANFPFSKPITPGIEPIIGQTTPR TVGGLDPLNQNETFTVPLFVIPKGGEYFFLPSISALTATIAA ; _struct_ref.pdbx_align_begin 57 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3MM2 _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 442 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q8WZK8 _struct_ref_seq.db_align_beg 57 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 498 _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 442 # 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 CYN non-polymer . 'CYANIDE ION' ? 'C N -1' 26.017 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 HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 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 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.crystals_number 1 _exptl.entry_id 3MM2 _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.pdbx_mosaicity 0.405 _exptl_crystal.pdbx_mosaicity_esd ? _exptl_crystal.density_Matthews 2.32 _exptl_crystal.density_diffrn ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_percent_sol 46.91 _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 6.0 _exptl_crystal_grow.temp 278 _exptl_crystal_grow.pdbx_details 'PEG 8000, pH 6.0, vapor diffusion, hanging drop, temperature 278K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 95 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 270' _diffrn_detector.pdbx_collection_date 2009-06-15 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'Numerical link type Si(111) double crystal monochromator, liquid nitrogen cooling' _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'PHOTON FACTORY BEAMLINE AR-NE3A' _diffrn_source.pdbx_wavelength_list 1.000 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site 'Photon Factory' _diffrn_source.pdbx_synchrotron_beamline AR-NE3A # _reflns.entry_id 3MM2 _reflns.d_resolution_high 1.450 _reflns.d_resolution_low 50.000 _reflns.number_obs 74671 _reflns.pdbx_Rmerge_I_obs 0.072 _reflns.pdbx_netI_over_sigmaI 9.700 _reflns.pdbx_chi_squared 1.102 _reflns.pdbx_redundancy 3.800 _reflns.percent_possible_obs 98.000 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 1.45 1.48 ? ? ? 0.319 ? ? 0.754 3.70 ? 3644 96.00 1 1 1.48 1.50 ? ? ? 0.334 ? ? 0.778 3.80 ? 3679 96.70 2 1 1.50 1.53 ? ? ? 0.292 ? ? 0.764 3.80 ? 3660 96.80 3 1 1.53 1.56 ? ? ? 0.271 ? ? 0.792 3.80 ? 3694 97.00 4 1 1.56 1.60 ? ? ? 0.233 ? ? 0.797 3.80 ? 3672 96.90 5 1 1.60 1.63 ? ? ? 0.215 ? ? 0.795 3.80 ? 3708 97.50 6 1 1.63 1.67 ? ? ? 0.187 ? ? 0.789 3.80 ? 3754 97.50 7 1 1.67 1.72 ? ? ? 0.167 ? ? 0.831 3.80 ? 3666 97.60 8 1 1.72 1.77 ? ? ? 0.142 ? ? 0.827 3.80 ? 3719 97.80 9 1 1.77 1.83 ? ? ? 0.124 ? ? 0.853 3.80 ? 3734 98.20 10 1 1.83 1.89 ? ? ? 0.100 ? ? 0.885 3.80 ? 3698 98.10 11 1 1.89 1.97 ? ? ? 0.085 ? ? 0.945 3.80 ? 3763 98.50 12 1 1.97 2.06 ? ? ? 0.072 ? ? 0.956 3.80 ? 3760 98.60 13 1 2.06 2.17 ? ? ? 0.065 ? ? 1.025 3.80 ? 3772 98.80 14 1 2.17 2.30 ? ? ? 0.059 ? ? 1.098 3.80 ? 3771 99.00 15 1 2.30 2.48 ? ? ? 0.054 ? ? 1.151 3.80 ? 3782 99.20 16 1 2.48 2.73 ? ? ? 0.052 ? ? 1.288 3.80 ? 3793 99.50 17 1 2.73 3.12 ? ? ? 0.048 ? ? 1.522 3.80 ? 3813 99.50 18 1 3.12 3.94 ? ? ? 0.047 ? ? 2.143 3.80 ? 3769 98.40 19 1 3.94 50.00 ? ? ? 0.051 ? ? 3.114 3.60 ? 3820 98.00 20 1 # _refine.entry_id 3MM2 _refine.ls_d_res_high 1.450 _refine.ls_d_res_low 48.850 _refine.pdbx_ls_sigma_F 0.00 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 97.830 _refine.ls_number_reflns_obs 74661 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: REFINED INDIVIDUALLY' _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.178 _refine.ls_R_factor_R_work 0.177 _refine.ls_wR_factor_R_work 0.168 _refine.ls_R_factor_R_free 0.192 _refine.ls_wR_factor_R_free 0.181 _refine.ls_percent_reflns_R_free 5.000 _refine.ls_number_reflns_R_free 3759 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 9.864 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] 1.290 _refine.aniso_B[2][2] -0.910 _refine.aniso_B[3][3] -0.180 _refine.aniso_B[1][2] 0.000 _refine.aniso_B[1][3] 0.420 _refine.aniso_B[2][3] 0.000 _refine.correlation_coeff_Fo_to_Fc 0.955 _refine.correlation_coeff_Fo_to_Fc_free 0.947 _refine.overall_SU_R_Cruickshank_DPI 0.066 _refine.overall_SU_R_free 0.064 _refine.pdbx_overall_ESU_R 0.066 _refine.pdbx_overall_ESU_R_Free 0.064 _refine.overall_SU_ML 0.037 _refine.overall_SU_B 0.938 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.400 _refine.pdbx_solvent_ion_probe_radii 0.800 _refine.pdbx_solvent_shrinkage_radii 0.800 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 2D3Q _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set 0.894 _refine.B_iso_max 31.72 _refine.B_iso_min 2.87 _refine.occupancy_max 1.00 _refine.occupancy_min 1.00 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3338 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 59 _refine_hist.number_atoms_solvent 189 _refine_hist.number_atoms_total 3586 _refine_hist.d_res_high 1.450 _refine_hist.d_res_low 48.850 # 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 0.008 0.022 ? 3491 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.220 1.989 ? 4777 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 5.723 5.000 ? 438 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 37.853 24.908 ? 163 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 10.661 15.000 ? 495 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 21.396 15.000 ? 16 'X-RAY DIFFRACTION' ? r_chiral_restr 0.083 0.200 ? 516 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.021 ? 2774 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.560 1.500 ? 2183 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.048 2.000 ? 3519 'X-RAY DIFFRACTION' ? r_scbond_it 1.576 3.000 ? 1308 'X-RAY DIFFRACTION' ? r_scangle_it 2.455 4.500 ? 1258 '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.d_res_high 1.451 _refine_ls_shell.d_res_low 1.488 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 93.890 _refine_ls_shell.number_reflns_R_work 4979 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.217 _refine_ls_shell.R_factor_R_free 0.219 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 262 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 5241 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3MM2 _struct.title 'Dye-decolorizing peroxidase (DyP) in complex with cyanide' _struct.pdbx_descriptor 'DyP(E.C.1.11.1.19)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3MM2 _struct_keywords.text 'DyP, Dye-decolorizing peroxidase, beta barrel, aspartic acid, OXIDOREDUCTASE' _struct_keywords.pdbx_keywords OXIDOREDUCTASE # 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 ? E N N 5 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLN A 12 ? VAL A 17 ? GLN A 12 VAL A 17 1 ? 6 HELX_P HELX_P2 2 ASP A 33 ? ILE A 49 ? ASP A 33 ILE A 49 1 ? 17 HELX_P HELX_P3 3 SER A 51 ? SER A 57 ? SER A 51 SER A 57 1 ? 7 HELX_P HELX_P4 4 ASP A 58 ? GLN A 62 ? ASP A 58 GLN A 62 5 ? 5 HELX_P HELX_P5 5 SER A 72 ? LEU A 79 ? SER A 72 LEU A 79 1 ? 8 HELX_P HELX_P6 6 GLN A 89 ? GLY A 93 ? GLN A 89 GLY A 93 5 ? 5 HELX_P HELX_P7 7 GLN A 94 ? ALA A 96 ? GLN A 94 ALA A 96 5 ? 3 HELX_P HELX_P8 8 ASP A 97 ? GLY A 102 ? ASP A 97 GLY A 102 1 ? 6 HELX_P HELX_P9 9 ASP A 104 ? TRP A 108 ? ASP A 104 TRP A 108 5 ? 5 HELX_P HELX_P10 10 GLN A 127 ? GLY A 143 ? GLN A 127 GLY A 143 1 ? 17 HELX_P HELX_P11 11 PRO A 158 ? ALA A 162 ? PRO A 158 ALA A 162 5 ? 5 HELX_P HELX_P12 12 PRO A 193 ? ILE A 197 ? PRO A 193 ILE A 197 5 ? 5 HELX_P HELX_P13 13 PRO A 209 ? LEU A 213 ? PRO A 209 LEU A 213 5 ? 5 HELX_P HELX_P14 14 LYS A 226 ? ASN A 237 ? LYS A 226 ASN A 237 1 ? 12 HELX_P HELX_P15 15 THR A 248 ? GLY A 262 ? THR A 248 GLY A 262 1 ? 15 HELX_P HELX_P16 16 ASP A 278 ? ALA A 283 ? ASP A 278 ALA A 283 1 ? 6 HELX_P HELX_P17 17 ALA A 307 ? ASN A 313 ? ALA A 307 ASN A 313 1 ? 7 HELX_P HELX_P18 18 PRO A 314 ? GLY A 319 ? PRO A 314 GLY A 319 5 ? 6 HELX_P HELX_P19 19 SER A 339 ? GLY A 346 ? SER A 339 GLY A 346 1 ? 8 HELX_P HELX_P20 20 ILE A 362 ? ASN A 365 ? ILE A 362 ASN A 365 5 ? 4 HELX_P HELX_P21 21 GLY A 366 ? ASN A 373 ? GLY A 366 ASN A 373 1 ? 8 HELX_P HELX_P22 22 SER A 432 ? THR A 439 ? SER A 432 THR A 439 1 ? 8 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag ? _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 246 _struct_conn.ptnr1_label_atom_id ND2 _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 1_555 _struct_conn.ptnr2_label_asym_id C _struct_conn.ptnr2_label_comp_id NAG _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 246 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id NAG _struct_conn.ptnr2_auth_seq_id 502 _struct_conn.ptnr2_symmetry 1_555 _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 1.430 _struct_conn.pdbx_value_order ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ALA 110 A . ? ALA 110 A PRO 111 A ? PRO 111 A 1 4.91 2 PHE 380 A . ? PHE 380 A PRO 381 A ? PRO 381 A 1 1.96 3 THR 398 A . ? THR 398 A PRO 399 A ? PRO 399 A 1 0.09 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 2 ? C ? 3 ? D ? 4 ? E ? 2 ? F ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 PHE A 66 ? PHE A 71 ? PHE A 66 PHE A 71 A 2 GLY A 119 ? SER A 125 ? GLY A 119 SER A 125 A 3 LYS A 23 ? VAL A 31 ? LYS A 23 VAL A 31 A 4 ILE A 146 ? SER A 155 ? ILE A 146 SER A 155 B 1 SER A 177 ? VAL A 178 ? SER A 177 VAL A 178 B 2 VAL A 191 ? VAL A 192 ? VAL A 191 VAL A 192 C 1 MET A 328 ? ARG A 329 ? MET A 328 ARG A 329 C 2 GLY A 353 ? GLN A 360 ? GLY A 353 GLN A 360 C 3 ILE A 332 ? TYR A 334 ? ILE A 332 TYR A 334 D 1 MET A 328 ? ARG A 329 ? MET A 328 ARG A 329 D 2 GLY A 353 ? GLN A 360 ? GLY A 353 GLN A 360 D 3 SER A 216 ? GLN A 225 ? SER A 216 GLN A 225 D 4 VAL A 420 ? LEU A 430 ? VAL A 420 LEU A 430 E 1 ALA A 241 ? ASN A 242 ? ALA A 241 ASN A 242 E 2 GLY A 245 ? ASN A 246 ? GLY A 245 ASN A 246 F 1 THR A 401 ? GLY A 403 ? THR A 401 GLY A 403 F 2 THR A 413 ? THR A 415 ? THR A 413 THR A 415 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N PHE A 66 ? N PHE A 66 O GLY A 124 ? O GLY A 124 A 2 3 O PHE A 121 ? O PHE A 121 N VAL A 27 ? N VAL A 27 A 3 4 N GLU A 24 ? N GLU A 24 O GLY A 154 ? O GLY A 154 B 1 2 N SER A 177 ? N SER A 177 O VAL A 192 ? O VAL A 192 C 1 2 N MET A 328 ? N MET A 328 O TYR A 359 ? O TYR A 359 C 2 3 O LEU A 355 ? O LEU A 355 N ILE A 332 ? N ILE A 332 D 1 2 N MET A 328 ? N MET A 328 O TYR A 359 ? O TYR A 359 D 2 3 O GLU A 358 ? O GLU A 358 N ALA A 219 ? N ALA A 219 D 3 4 N HIS A 222 ? N HIS A 222 O LYS A 423 ? O LYS A 423 E 1 2 N ASN A 242 ? N ASN A 242 O GLY A 245 ? O GLY A 245 F 1 2 N VAL A 402 ? N VAL A 402 O PHE A 414 ? O PHE A 414 # 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 ? ? ? ? 24 'BINDING SITE FOR RESIDUE HEM A 501' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 502' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CYN A 503' # 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 24 GLU A 165 ? GLU A 165 . ? 1_555 ? 2 AC1 24 PHE A 169 ? PHE A 169 . ? 1_555 ? 3 AC1 24 LEU A 170 ? LEU A 170 . ? 1_555 ? 4 AC1 24 GLY A 172 ? GLY A 172 . ? 1_555 ? 5 AC1 24 ILE A 173 ? ILE A 173 . ? 1_555 ? 6 AC1 24 SER A 174 ? SER A 174 . ? 1_555 ? 7 AC1 24 PHE A 223 ? PHE A 223 . ? 1_555 ? 8 AC1 24 GLN A 225 ? GLN A 225 . ? 1_555 ? 9 AC1 24 PHE A 261 ? PHE A 261 . ? 1_555 ? 10 AC1 24 ARG A 263 ? ARG A 263 . ? 1_555 ? 11 AC1 24 HIS A 308 ? HIS A 308 . ? 1_555 ? 12 AC1 24 VAL A 309 ? VAL A 309 . ? 1_555 ? 13 AC1 24 THR A 312 ? THR A 312 . ? 1_555 ? 14 AC1 24 ASN A 313 ? ASN A 313 . ? 1_555 ? 15 AC1 24 ARG A 315 ? ARG A 315 . ? 1_555 ? 16 AC1 24 ARG A 329 ? ARG A 329 . ? 1_555 ? 17 AC1 24 PHE A 356 ? PHE A 356 . ? 1_555 ? 18 AC1 24 GLU A 358 ? GLU A 358 . ? 1_555 ? 19 AC1 24 PHE A 367 ? PHE A 367 . ? 1_555 ? 20 AC1 24 GLN A 370 ? GLN A 370 . ? 1_555 ? 21 AC1 24 CYN D . ? CYN A 503 . ? 1_555 ? 22 AC1 24 HOH E . ? HOH A 1001 . ? 1_555 ? 23 AC1 24 HOH E . ? HOH A 1009 . ? 1_555 ? 24 AC1 24 HOH E . ? HOH A 1091 . ? 1_555 ? 25 AC2 1 ASN A 246 ? ASN A 246 . ? 1_555 ? 26 AC3 4 ARG A 329 ? ARG A 329 . ? 1_555 ? 27 AC3 4 PHE A 356 ? PHE A 356 . ? 1_555 ? 28 AC3 4 HEM B . ? HEM A 501 . ? 1_555 ? 29 AC3 4 HOH E . ? HOH A 1188 . ? 1_555 ? # _atom_sites.entry_id 3MM2 _atom_sites.fract_transf_matrix[1][1] 0.021296 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005229 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010426 _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] 0.020462 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C FE N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . THR A 1 4 ? 6.859 -7.425 41.079 1.00 25.78 ? 4 THR A N 1 ATOM 2 C CA . THR A 1 4 ? 7.560 -8.225 40.029 1.00 25.64 ? 4 THR A CA 1 ATOM 3 C C . THR A 1 4 ? 8.845 -7.539 39.566 1.00 24.54 ? 4 THR A C 1 ATOM 4 O O . THR A 1 4 ? 8.897 -6.311 39.441 1.00 25.41 ? 4 THR A O 1 ATOM 5 C CB . THR A 1 4 ? 6.644 -8.521 38.797 1.00 25.90 ? 4 THR A CB 1 ATOM 6 O OG1 . THR A 1 4 ? 6.444 -7.329 38.023 1.00 27.38 ? 4 THR A OG1 1 ATOM 7 C CG2 . THR A 1 4 ? 5.290 -9.072 39.239 1.00 26.61 ? 4 THR A CG2 1 ATOM 8 N N . ILE A 1 5 ? 9.881 -8.339 39.329 1.00 22.91 ? 5 ILE A N 1 ATOM 9 C CA . ILE A 1 5 ? 11.115 -7.839 38.744 1.00 20.77 ? 5 ILE A CA 1 ATOM 10 C C . ILE A 1 5 ? 11.291 -8.515 37.388 1.00 18.79 ? 5 ILE A C 1 ATOM 11 O O . ILE A 1 5 ? 11.389 -9.743 37.293 1.00 18.66 ? 5 ILE A O 1 ATOM 12 C CB . ILE A 1 5 ? 12.350 -8.062 39.673 1.00 21.73 ? 5 ILE A CB 1 ATOM 13 C CG1 . ILE A 1 5 ? 12.202 -7.261 40.981 1.00 22.57 ? 5 ILE A CG1 1 ATOM 14 C CG2 . ILE A 1 5 ? 13.654 -7.710 38.953 1.00 21.96 ? 5 ILE A CG2 1 ATOM 15 C CD1 . ILE A 1 5 ? 12.168 -5.735 40.814 1.00 24.86 ? 5 ILE A CD1 1 ATOM 16 N N . LEU A 1 6 ? 11.300 -7.709 36.332 1.00 15.81 ? 6 LEU A N 1 ATOM 17 C CA . LEU A 1 6 ? 11.487 -8.242 34.987 1.00 13.67 ? 6 LEU A CA 1 ATOM 18 C C . LEU A 1 6 ? 12.931 -8.670 34.780 1.00 12.41 ? 6 LEU A C 1 ATOM 19 O O . LEU A 1 6 ? 13.851 -7.936 35.135 1.00 12.01 ? 6 LEU A O 1 ATOM 20 C CB . LEU A 1 6 ? 11.064 -7.221 33.925 1.00 13.31 ? 6 LEU A CB 1 ATOM 21 C CG . LEU A 1 6 ? 9.590 -6.812 33.944 1.00 12.84 ? 6 LEU A CG 1 ATOM 22 C CD1 . LEU A 1 6 ? 9.374 -5.682 32.958 1.00 12.86 ? 6 LEU A CD1 1 ATOM 23 C CD2 . LEU A 1 6 ? 8.662 -7.996 33.637 1.00 11.85 ? 6 LEU A CD2 1 ATOM 24 N N . PRO A 1 7 ? 13.137 -9.867 34.207 1.00 11.46 ? 7 PRO A N 1 ATOM 25 C CA . PRO A 1 7 ? 14.489 -10.342 33.915 1.00 10.92 ? 7 PRO A CA 1 ATOM 26 C C . PRO A 1 7 ? 14.975 -9.729 32.597 1.00 10.74 ? 7 PRO A C 1 ATOM 27 O O . PRO A 1 7 ? 14.808 -10.318 31.516 1.00 10.55 ? 7 PRO A O 1 ATOM 28 C CB . PRO A 1 7 ? 14.306 -11.854 33.806 1.00 11.25 ? 7 PRO A CB 1 ATOM 29 C CG . PRO A 1 7 ? 12.917 -12.017 33.311 1.00 11.26 ? 7 PRO A CG 1 ATOM 30 C CD . PRO A 1 7 ? 12.115 -10.887 33.907 1.00 11.21 ? 7 PRO A CD 1 ATOM 31 N N . LEU A 1 8 ? 15.581 -8.550 32.694 1.00 10.71 ? 8 LEU A N 1 ATOM 32 C CA . LEU A 1 8 ? 15.935 -7.764 31.504 1.00 11.00 ? 8 LEU A CA 1 ATOM 33 C C . LEU A 1 8 ? 16.917 -8.466 30.586 1.00 11.04 ? 8 LEU A C 1 ATOM 34 O O . LEU A 1 8 ? 16.926 -8.235 29.378 1.00 10.77 ? 8 LEU A O 1 ATOM 35 C CB . LEU A 1 8 ? 16.490 -6.397 31.906 1.00 11.84 ? 8 LEU A CB 1 ATOM 36 C CG . LEU A 1 8 ? 15.554 -5.515 32.724 1.00 13.11 ? 8 LEU A CG 1 ATOM 37 C CD1 . LEU A 1 8 ? 16.282 -4.245 33.126 1.00 13.72 ? 8 LEU A CD1 1 ATOM 38 C CD2 . LEU A 1 8 ? 14.288 -5.181 31.956 1.00 13.50 ? 8 LEU A CD2 1 ATOM 39 N N . ASN A 1 9 ? 17.735 -9.330 31.174 1.00 10.73 ? 9 ASN A N 1 ATOM 40 C CA . ASN A 1 9 ? 18.688 -10.150 30.437 1.00 11.34 ? 9 ASN A CA 1 ATOM 41 C C . ASN A 1 9 ? 18.030 -11.276 29.637 1.00 10.32 ? 9 ASN A C 1 ATOM 42 O O . ASN A 1 9 ? 18.686 -11.911 28.814 1.00 10.63 ? 9 ASN A O 1 ATOM 43 C CB . ASN A 1 9 ? 19.703 -10.753 31.414 1.00 12.70 ? 9 ASN A CB 1 ATOM 44 C CG . ASN A 1 9 ? 19.030 -11.577 32.513 1.00 16.36 ? 9 ASN A CG 1 ATOM 45 O OD1 . ASN A 1 9 ? 18.244 -11.058 33.328 1.00 21.22 ? 9 ASN A OD1 1 ATOM 46 N ND2 . ASN A 1 9 ? 19.337 -12.867 32.544 1.00 22.31 ? 9 ASN A ND2 1 ATOM 47 N N . ASN A 1 10 ? 16.742 -11.519 29.879 1.00 9.56 ? 10 ASN A N 1 ATOM 48 C CA . ASN A 1 10 ? 16.039 -12.620 29.222 1.00 8.41 ? 10 ASN A CA 1 ATOM 49 C C . ASN A 1 10 ? 14.973 -12.174 28.227 1.00 8.01 ? 10 ASN A C 1 ATOM 50 O O . ASN A 1 10 ? 14.319 -13.010 27.580 1.00 8.91 ? 10 ASN A O 1 ATOM 51 C CB . ASN A 1 10 ? 15.390 -13.542 30.254 1.00 7.92 ? 10 ASN A CB 1 ATOM 52 C CG . ASN A 1 10 ? 15.180 -14.928 29.720 1.00 8.05 ? 10 ASN A CG 1 ATOM 53 O OD1 . ASN A 1 10 ? 16.036 -15.472 29.015 1.00 9.04 ? 10 ASN A OD1 1 ATOM 54 N ND2 . ASN A 1 10 ? 14.031 -15.516 30.040 1.00 8.25 ? 10 ASN A ND2 1 ATOM 55 N N . ILE A 1 11 ? 14.803 -10.864 28.104 1.00 7.80 ? 11 ILE A N 1 ATOM 56 C CA . ILE A 1 11 ? 13.750 -10.312 27.260 1.00 7.25 ? 11 ILE A CA 1 ATOM 57 C C . ILE A 1 11 ? 14.390 -9.734 26.007 1.00 6.86 ? 11 ILE A C 1 ATOM 58 O O . ILE A 1 11 ? 15.327 -8.940 26.100 1.00 7.23 ? 11 ILE A O 1 ATOM 59 C CB . ILE A 1 11 ? 12.949 -9.217 28.005 1.00 7.22 ? 11 ILE A CB 1 ATOM 60 C CG1 . ILE A 1 11 ? 12.191 -9.835 29.195 1.00 7.31 ? 11 ILE A CG1 1 ATOM 61 C CG2 . ILE A 1 11 ? 11.974 -8.516 27.050 1.00 7.75 ? 11 ILE A CG2 1 ATOM 62 C CD1 . ILE A 1 11 ? 11.717 -8.822 30.243 1.00 8.11 ? 11 ILE A CD1 1 ATOM 63 N N . GLN A 1 12 ? 13.913 -10.140 24.832 1.00 6.62 ? 12 GLN A N 1 ATOM 64 C CA . GLN A 1 12 ? 14.443 -9.587 23.587 1.00 6.37 ? 12 GLN A CA 1 ATOM 65 C C . GLN A 1 12 ? 14.278 -8.065 23.569 1.00 6.32 ? 12 GLN A C 1 ATOM 66 O O . GLN A 1 12 ? 13.182 -7.545 23.772 1.00 6.31 ? 12 GLN A O 1 ATOM 67 C CB . GLN A 1 12 ? 13.802 -10.262 22.362 1.00 6.13 ? 12 GLN A CB 1 ATOM 68 C CG . GLN A 1 12 ? 14.189 -11.734 22.236 1.00 6.83 ? 12 GLN A CG 1 ATOM 69 C CD . GLN A 1 12 ? 13.962 -12.269 20.844 1.00 5.84 ? 12 GLN A CD 1 ATOM 70 O OE1 . GLN A 1 12 ? 14.583 -11.801 19.898 1.00 7.01 ? 12 GLN A OE1 1 ATOM 71 N NE2 . GLN A 1 12 ? 13.079 -13.257 20.706 1.00 5.81 ? 12 GLN A NE2 1 ATOM 72 N N . GLY A 1 13 ? 15.387 -7.358 23.338 1.00 6.30 ? 13 GLY A N 1 ATOM 73 C CA . GLY A 1 13 ? 15.446 -5.934 23.618 1.00 6.86 ? 13 GLY A CA 1 ATOM 74 C C . GLY A 1 13 ? 14.540 -5.028 22.808 1.00 6.79 ? 13 GLY A C 1 ATOM 75 O O . GLY A 1 13 ? 14.100 -3.993 23.308 1.00 7.14 ? 13 GLY A O 1 ATOM 76 N N . ASP A 1 14 ? 14.241 -5.410 21.567 1.00 6.74 ? 14 ASP A N 1 ATOM 77 C CA . ASP A 1 14 ? 13.407 -4.553 20.726 1.00 6.38 ? 14 ASP A CA 1 ATOM 78 C C . ASP A 1 14 ? 11.995 -4.411 21.287 1.00 6.71 ? 14 ASP A C 1 ATOM 79 O O . ASP A 1 14 ? 11.330 -3.408 21.039 1.00 6.74 ? 14 ASP A O 1 ATOM 80 C CB . ASP A 1 14 ? 13.350 -5.037 19.270 1.00 6.54 ? 14 ASP A CB 1 ATOM 81 C CG . ASP A 1 14 ? 12.887 -3.942 18.318 1.00 6.23 ? 14 ASP A CG 1 ATOM 82 O OD1 . ASP A 1 14 ? 13.436 -2.821 18.417 1.00 6.56 ? 14 ASP A OD1 1 ATOM 83 O OD2 . ASP A 1 14 ? 11.960 -4.183 17.509 1.00 6.60 ? 14 ASP A OD2 1 ATOM 84 N N . ILE A 1 15 ? 11.562 -5.414 22.048 1.00 6.58 ? 15 ILE A N 1 ATOM 85 C CA . ILE A 1 15 ? 10.217 -5.427 22.623 1.00 6.91 ? 15 ILE A CA 1 ATOM 86 C C . ILE A 1 15 ? 10.041 -4.328 23.664 1.00 7.47 ? 15 ILE A C 1 ATOM 87 O O . ILE A 1 15 ? 9.069 -3.575 23.622 1.00 7.83 ? 15 ILE A O 1 ATOM 88 C CB . ILE A 1 15 ? 9.888 -6.789 23.291 1.00 6.29 ? 15 ILE A CB 1 ATOM 89 C CG1 . ILE A 1 15 ? 9.942 -7.925 22.271 1.00 7.00 ? 15 ILE A CG1 1 ATOM 90 C CG2 . ILE A 1 15 ? 8.521 -6.727 24.004 1.00 7.00 ? 15 ILE A CG2 1 ATOM 91 C CD1 . ILE A 1 15 ? 10.024 -9.315 22.894 1.00 7.05 ? 15 ILE A CD1 1 ATOM 92 N N . LEU A 1 16 ? 10.978 -4.257 24.604 1.00 8.43 ? 16 LEU A N 1 ATOM 93 C CA . LEU A 1 16 ? 10.814 -3.411 25.775 1.00 9.87 ? 16 LEU A CA 1 ATOM 94 C C . LEU A 1 16 ? 11.488 -2.057 25.625 1.00 10.08 ? 16 LEU A C 1 ATOM 95 O O . LEU A 1 16 ? 10.972 -1.045 26.099 1.00 10.69 ? 16 LEU A O 1 ATOM 96 C CB . LEU A 1 16 ? 11.371 -4.133 27.004 1.00 10.01 ? 16 LEU A CB 1 ATOM 97 C CG . LEU A 1 16 ? 11.227 -3.513 28.393 1.00 12.06 ? 16 LEU A CG 1 ATOM 98 C CD1 . LEU A 1 16 ? 9.764 -3.462 28.815 1.00 13.38 ? 16 LEU A CD1 1 ATOM 99 C CD2 . LEU A 1 16 ? 12.027 -4.338 29.370 1.00 13.84 ? 16 LEU A CD2 1 ATOM 100 N N . VAL A 1 17 ? 12.658 -2.053 24.999 1.00 11.07 ? 17 VAL A N 1 ATOM 101 C CA . VAL A 1 17 ? 13.489 -0.855 24.930 1.00 11.64 ? 17 VAL A CA 1 ATOM 102 C C . VAL A 1 17 ? 13.480 -0.241 23.533 1.00 11.78 ? 17 VAL A C 1 ATOM 103 O O . VAL A 1 17 ? 13.384 0.989 23.381 1.00 12.65 ? 17 VAL A O 1 ATOM 104 C CB . VAL A 1 17 ? 14.951 -1.168 25.354 1.00 11.74 ? 17 VAL A CB 1 ATOM 105 C CG1 . VAL A 1 17 ? 15.816 0.079 25.267 1.00 12.28 ? 17 VAL A CG1 1 ATOM 106 C CG2 . VAL A 1 17 ? 14.999 -1.745 26.770 1.00 13.52 ? 17 VAL A CG2 1 ATOM 107 N N . GLY A 1 18 ? 13.579 -1.095 22.517 1.00 11.08 ? 18 GLY A N 1 ATOM 108 C CA . GLY A 1 18 ? 13.653 -0.643 21.131 1.00 11.06 ? 18 GLY A CA 1 ATOM 109 C C . GLY A 1 18 ? 15.098 -0.513 20.715 1.00 10.96 ? 18 GLY A C 1 ATOM 110 O O . GLY A 1 18 ? 15.917 0.064 21.444 1.00 11.00 ? 18 GLY A O 1 ATOM 111 N N . MET A 1 19 ? 15.419 -1.048 19.542 1.00 10.58 ? 19 MET A N 1 ATOM 112 C CA . MET A 1 19 ? 16.790 -0.983 19.032 1.00 11.08 ? 19 MET A CA 1 ATOM 113 C C . MET A 1 19 ? 17.255 0.456 18.788 1.00 11.64 ? 19 MET A C 1 ATOM 114 O O . MET A 1 19 ? 18.411 0.791 19.077 1.00 11.55 ? 19 MET A O 1 ATOM 115 C CB . MET A 1 19 ? 16.944 -1.829 17.770 1.00 10.91 ? 19 MET A CB 1 ATOM 116 C CG . MET A 1 19 ? 16.839 -3.312 18.040 1.00 10.93 ? 19 MET A CG 1 ATOM 117 S SD . MET A 1 19 ? 17.268 -4.242 16.575 1.00 11.06 ? 19 MET A SD 1 ATOM 118 C CE . MET A 1 19 ? 16.999 -5.913 17.140 1.00 11.26 ? 19 MET A CE 1 ATOM 119 N N . LYS A 1 20 ? 16.353 1.295 18.271 1.00 12.59 ? 20 LYS A N 1 ATOM 120 C CA . LYS A 1 20 ? 16.636 2.718 18.007 1.00 13.53 ? 20 LYS A CA 1 ATOM 121 C C . LYS A 1 20 ? 17.918 2.908 17.197 1.00 13.15 ? 20 LYS A C 1 ATOM 122 O O . LYS A 1 20 ? 18.718 3.805 17.486 1.00 13.57 ? 20 LYS A O 1 ATOM 123 C CB . LYS A 1 20 ? 16.740 3.524 19.307 1.00 13.97 ? 20 LYS A CB 1 ATOM 124 C CG . LYS A 1 20 ? 15.551 3.438 20.236 1.00 16.42 ? 20 LYS A CG 1 ATOM 125 C CD . LYS A 1 20 ? 15.816 4.295 21.474 1.00 19.68 ? 20 LYS A CD 1 ATOM 126 C CE . LYS A 1 20 ? 14.859 3.957 22.608 1.00 21.76 ? 20 LYS A CE 1 ATOM 127 N NZ . LYS A 1 20 ? 13.448 4.146 22.194 1.00 23.00 ? 20 LYS A NZ 1 ATOM 128 N N . LYS A 1 21 ? 18.128 2.048 16.209 1.00 12.70 ? 21 LYS A N 1 ATOM 129 C CA . LYS A 1 21 ? 19.305 2.142 15.365 1.00 12.49 ? 21 LYS A CA 1 ATOM 130 C C . LYS A 1 21 ? 18.997 2.840 14.038 1.00 11.57 ? 21 LYS A C 1 ATOM 131 O O . LYS A 1 21 ? 17.854 2.849 13.576 1.00 12.48 ? 21 LYS A O 1 ATOM 132 C CB . LYS A 1 21 ? 19.904 0.749 15.118 1.00 12.86 ? 21 LYS A CB 1 ATOM 133 C CG . LYS A 1 21 ? 20.540 0.088 16.352 1.00 14.17 ? 21 LYS A CG 1 ATOM 134 C CD . LYS A 1 21 ? 21.706 0.915 16.888 1.00 17.07 ? 21 LYS A CD 1 ATOM 135 C CE . LYS A 1 21 ? 22.854 0.046 17.343 1.00 21.02 ? 21 LYS A CE 1 ATOM 136 N NZ . LYS A 1 21 ? 23.946 0.838 17.985 1.00 23.39 ? 21 LYS A NZ 1 ATOM 137 N N . GLN A 1 22 ? 20.030 3.421 13.431 1.00 11.19 ? 22 GLN A N 1 ATOM 138 C CA . GLN A 1 22 ? 19.883 4.152 12.174 1.00 11.03 ? 22 GLN A CA 1 ATOM 139 C C . GLN A 1 22 ? 19.508 3.260 10.997 1.00 9.85 ? 22 GLN A C 1 ATOM 140 O O . GLN A 1 22 ? 18.868 3.716 10.059 1.00 9.51 ? 22 GLN A O 1 ATOM 141 C CB . GLN A 1 22 ? 21.179 4.899 11.850 1.00 11.25 ? 22 GLN A CB 1 ATOM 142 C CG . GLN A 1 22 ? 21.475 6.024 12.828 1.00 15.05 ? 22 GLN A CG 1 ATOM 143 C CD . GLN A 1 22 ? 20.634 7.253 12.567 1.00 20.42 ? 22 GLN A CD 1 ATOM 144 O OE1 . GLN A 1 22 ? 20.749 7.887 11.513 1.00 22.63 ? 22 GLN A OE1 1 ATOM 145 N NE2 . GLN A 1 22 ? 19.784 7.602 13.526 1.00 23.47 ? 22 GLN A NE2 1 ATOM 146 N N . LYS A 1 23 ? 19.930 2.000 11.041 1.00 8.99 ? 23 LYS A N 1 ATOM 147 C CA . LYS A 1 23 ? 19.634 1.039 9.985 1.00 8.13 ? 23 LYS A CA 1 ATOM 148 C C . LYS A 1 23 ? 18.986 -0.182 10.606 1.00 7.99 ? 23 LYS A C 1 ATOM 149 O O . LYS A 1 23 ? 19.313 -0.556 11.729 1.00 7.80 ? 23 LYS A O 1 ATOM 150 C CB . LYS A 1 23 ? 20.915 0.573 9.275 1.00 8.12 ? 23 LYS A CB 1 ATOM 151 C CG . LYS A 1 23 ? 21.892 1.672 8.868 1.00 9.20 ? 23 LYS A CG 1 ATOM 152 C CD . LYS A 1 23 ? 21.268 2.617 7.855 1.00 10.11 ? 23 LYS A CD 1 ATOM 153 C CE . LYS A 1 23 ? 22.309 3.627 7.402 1.00 12.62 ? 23 LYS A CE 1 ATOM 154 N NZ . LYS A 1 23 ? 21.781 4.568 6.379 1.00 13.24 ? 23 LYS A NZ 1 ATOM 155 N N . GLU A 1 24 ? 18.072 -0.807 9.876 1.00 7.23 ? 24 GLU A N 1 ATOM 156 C CA . GLU A 1 24 ? 17.474 -2.048 10.341 1.00 7.65 ? 24 GLU A CA 1 ATOM 157 C C . GLU A 1 24 ? 17.107 -2.924 9.159 1.00 7.79 ? 24 GLU A C 1 ATOM 158 O O . GLU A 1 24 ? 16.643 -2.427 8.136 1.00 9.38 ? 24 GLU A O 1 ATOM 159 C CB . GLU A 1 24 ? 16.258 -1.766 11.225 1.00 7.97 ? 24 GLU A CB 1 ATOM 160 C CG . GLU A 1 24 ? 15.728 -3.005 11.941 1.00 8.64 ? 24 GLU A CG 1 ATOM 161 C CD . GLU A 1 24 ? 14.542 -2.717 12.828 1.00 10.07 ? 24 GLU A CD 1 ATOM 162 O OE1 . GLU A 1 24 ? 13.999 -1.593 12.783 1.00 12.20 ? 24 GLU A OE1 1 ATOM 163 O OE2 . GLU A 1 24 ? 14.142 -3.645 13.560 1.00 8.64 ? 24 GLU A OE2 1 ATOM 164 N N . ARG A 1 25 ? 17.344 -4.220 9.303 1.00 7.62 ? 25 ARG A N 1 ATOM 165 C CA . ARG A 1 25 ? 16.998 -5.187 8.268 1.00 7.72 ? 25 ARG A CA 1 ATOM 166 C C . ARG A 1 25 ? 16.131 -6.281 8.857 1.00 7.29 ? 25 ARG A C 1 ATOM 167 O O . ARG A 1 25 ? 16.404 -6.777 9.955 1.00 8.08 ? 25 ARG A O 1 ATOM 168 C CB . ARG A 1 25 ? 18.257 -5.809 7.662 1.00 8.10 ? 25 ARG A CB 1 ATOM 169 C CG . ARG A 1 25 ? 17.955 -6.829 6.572 1.00 9.44 ? 25 ARG A CG 1 ATOM 170 C CD . ARG A 1 25 ? 19.204 -7.198 5.807 1.00 10.98 ? 25 ARG A CD 1 ATOM 171 N NE . ARG A 1 25 ? 19.630 -6.091 4.955 1.00 13.00 ? 25 ARG A NE 1 ATOM 172 C CZ . ARG A 1 25 ? 20.894 -5.717 4.779 1.00 13.26 ? 25 ARG A CZ 1 ATOM 173 N NH1 . ARG A 1 25 ? 21.878 -6.349 5.401 1.00 13.79 ? 25 ARG A NH1 1 ATOM 174 N NH2 . ARG A 1 25 ? 21.177 -4.698 3.975 1.00 14.20 ? 25 ARG A NH2 1 ATOM 175 N N . PHE A 1 26 ? 15.090 -6.647 8.111 1.00 6.43 ? 26 PHE A N 1 ATOM 176 C CA . PHE A 1 26 ? 14.204 -7.734 8.483 1.00 6.46 ? 26 PHE A CA 1 ATOM 177 C C . PHE A 1 26 ? 14.439 -8.871 7.492 1.00 6.71 ? 26 PHE A C 1 ATOM 178 O O . PHE A 1 26 ? 14.176 -8.720 6.295 1.00 7.20 ? 26 PHE A O 1 ATOM 179 C CB . PHE A 1 26 ? 12.746 -7.262 8.428 1.00 6.30 ? 26 PHE A CB 1 ATOM 180 C CG . PHE A 1 26 ? 12.427 -6.130 9.374 1.00 5.95 ? 26 PHE A CG 1 ATOM 181 C CD1 . PHE A 1 26 ? 11.863 -6.393 10.620 1.00 7.63 ? 26 PHE A CD1 1 ATOM 182 C CD2 . PHE A 1 26 ? 12.689 -4.803 9.021 1.00 6.40 ? 26 PHE A CD2 1 ATOM 183 C CE1 . PHE A 1 26 ? 11.562 -5.360 11.508 1.00 7.52 ? 26 PHE A CE1 1 ATOM 184 C CE2 . PHE A 1 26 ? 12.388 -3.759 9.904 1.00 6.65 ? 26 PHE A CE2 1 ATOM 185 C CZ . PHE A 1 26 ? 11.833 -4.039 11.148 1.00 7.28 ? 26 PHE A CZ 1 ATOM 186 N N . VAL A 1 27 ? 14.963 -9.997 7.986 1.00 6.78 ? 27 VAL A N 1 ATOM 187 C CA . VAL A 1 27 ? 15.231 -11.150 7.131 1.00 7.24 ? 27 VAL A CA 1 ATOM 188 C C . VAL A 1 27 ? 14.151 -12.183 7.388 1.00 6.85 ? 27 VAL A C 1 ATOM 189 O O . VAL A 1 27 ? 14.118 -12.818 8.456 1.00 7.65 ? 27 VAL A O 1 ATOM 190 C CB . VAL A 1 27 ? 16.633 -11.737 7.396 1.00 7.05 ? 27 VAL A CB 1 ATOM 191 C CG1 . VAL A 1 27 ? 16.863 -12.991 6.559 1.00 7.99 ? 27 VAL A CG1 1 ATOM 192 C CG2 . VAL A 1 27 ? 17.709 -10.703 7.102 1.00 8.90 ? 27 VAL A CG2 1 ATOM 193 N N . PHE A 1 28 ? 13.243 -12.320 6.424 1.00 7.07 ? 28 PHE A N 1 ATOM 194 C CA . PHE A 1 28 ? 12.123 -13.252 6.517 1.00 6.34 ? 28 PHE A CA 1 ATOM 195 C C . PHE A 1 28 ? 12.553 -14.581 5.941 1.00 6.93 ? 28 PHE A C 1 ATOM 196 O O . PHE A 1 28 ? 13.122 -14.626 4.853 1.00 7.75 ? 28 PHE A O 1 ATOM 197 C CB . PHE A 1 28 ? 10.895 -12.698 5.772 1.00 6.55 ? 28 PHE A CB 1 ATOM 198 C CG . PHE A 1 28 ? 10.426 -11.379 6.312 1.00 6.46 ? 28 PHE A CG 1 ATOM 199 C CD1 . PHE A 1 28 ? 9.589 -11.327 7.423 1.00 7.18 ? 28 PHE A CD1 1 ATOM 200 C CD2 . PHE A 1 28 ? 10.866 -10.187 5.752 1.00 7.49 ? 28 PHE A CD2 1 ATOM 201 C CE1 . PHE A 1 28 ? 9.166 -10.108 7.954 1.00 6.46 ? 28 PHE A CE1 1 ATOM 202 C CE2 . PHE A 1 28 ? 10.456 -8.967 6.274 1.00 7.47 ? 28 PHE A CE2 1 ATOM 203 C CZ . PHE A 1 28 ? 9.615 -8.926 7.388 1.00 7.06 ? 28 PHE A CZ 1 ATOM 204 N N . PHE A 1 29 ? 12.309 -15.661 6.675 1.00 6.75 ? 29 PHE A N 1 ATOM 205 C CA . PHE A 1 29 ? 12.863 -16.952 6.276 1.00 7.59 ? 29 PHE A CA 1 ATOM 206 C C . PHE A 1 29 ? 11.858 -18.080 6.419 1.00 7.92 ? 29 PHE A C 1 ATOM 207 O O . PHE A 1 29 ? 10.862 -17.959 7.139 1.00 7.30 ? 29 PHE A O 1 ATOM 208 C CB . PHE A 1 29 ? 14.149 -17.262 7.068 1.00 7.58 ? 29 PHE A CB 1 ATOM 209 C CG . PHE A 1 29 ? 13.917 -17.511 8.540 1.00 7.11 ? 29 PHE A CG 1 ATOM 210 C CD1 . PHE A 1 29 ? 13.698 -18.801 9.027 1.00 8.16 ? 29 PHE A CD1 1 ATOM 211 C CD2 . PHE A 1 29 ? 13.906 -16.450 9.442 1.00 7.62 ? 29 PHE A CD2 1 ATOM 212 C CE1 . PHE A 1 29 ? 13.463 -19.032 10.394 1.00 8.44 ? 29 PHE A CE1 1 ATOM 213 C CE2 . PHE A 1 29 ? 13.686 -16.666 10.803 1.00 8.01 ? 29 PHE A CE2 1 ATOM 214 C CZ . PHE A 1 29 ? 13.464 -17.957 11.285 1.00 8.96 ? 29 PHE A CZ 1 ATOM 215 N N . GLN A 1 30 ? 12.134 -19.172 5.709 1.00 7.94 ? 30 GLN A N 1 ATOM 216 C CA . GLN A 1 30 ? 11.448 -20.434 5.910 1.00 9.37 ? 30 GLN A CA 1 ATOM 217 C C . GLN A 1 30 ? 12.478 -21.441 6.435 1.00 9.26 ? 30 GLN A C 1 ATOM 218 O O . GLN A 1 30 ? 13.654 -21.369 6.092 1.00 9.67 ? 30 GLN A O 1 ATOM 219 C CB . GLN A 1 30 ? 10.772 -20.890 4.605 1.00 10.81 ? 30 GLN A CB 1 ATOM 220 C CG . GLN A 1 30 ? 11.707 -21.055 3.424 1.00 15.24 ? 30 GLN A CG 1 ATOM 221 C CD . GLN A 1 30 ? 11.119 -21.911 2.317 1.00 19.53 ? 30 GLN A CD 1 ATOM 222 O OE1 . GLN A 1 30 ? 9.895 -22.071 2.205 1.00 21.66 ? 30 GLN A OE1 1 ATOM 223 N NE2 . GLN A 1 30 ? 11.997 -22.487 1.498 1.00 21.31 ? 30 GLN A NE2 1 ATOM 224 N N . VAL A 1 31 ? 12.026 -22.360 7.283 1.00 8.97 ? 31 VAL A N 1 ATOM 225 C CA . VAL A 1 31 ? 12.882 -23.428 7.817 1.00 8.87 ? 31 VAL A CA 1 ATOM 226 C C . VAL A 1 31 ? 12.853 -24.601 6.840 1.00 9.00 ? 31 VAL A C 1 ATOM 227 O O . VAL A 1 31 ? 11.781 -25.094 6.504 1.00 9.14 ? 31 VAL A O 1 ATOM 228 C CB . VAL A 1 31 ? 12.386 -23.898 9.201 1.00 8.78 ? 31 VAL A CB 1 ATOM 229 C CG1 . VAL A 1 31 ? 13.221 -25.081 9.712 1.00 8.98 ? 31 VAL A CG1 1 ATOM 230 C CG2 . VAL A 1 31 ? 12.434 -22.751 10.196 1.00 9.69 ? 31 VAL A CG2 1 ATOM 231 N N . ASN A 1 32 ? 14.028 -25.036 6.382 1.00 9.29 ? 32 ASN A N 1 ATOM 232 C CA . ASN A 1 32 ? 14.139 -26.220 5.511 1.00 10.06 ? 32 ASN A CA 1 ATOM 233 C C . ASN A 1 32 ? 14.399 -27.517 6.277 1.00 10.49 ? 32 ASN A C 1 ATOM 234 O O . ASN A 1 32 ? 13.997 -28.598 5.841 1.00 11.13 ? 32 ASN A O 1 ATOM 235 C CB . ASN A 1 32 ? 15.271 -26.034 4.497 1.00 9.98 ? 32 ASN A CB 1 ATOM 236 C CG . ASN A 1 32 ? 15.084 -24.812 3.623 1.00 10.32 ? 32 ASN A CG 1 ATOM 237 O OD1 . ASN A 1 32 ? 13.978 -24.536 3.133 1.00 11.78 ? 32 ASN A OD1 1 ATOM 238 N ND2 . ASN A 1 32 ? 16.172 -24.083 3.395 1.00 11.24 ? 32 ASN A ND2 1 ATOM 239 N N . ASP A 1 33 ? 15.116 -27.402 7.392 1.00 10.76 ? 33 ASP A N 1 ATOM 240 C CA . ASP A 1 33 ? 15.619 -28.545 8.149 1.00 11.40 ? 33 ASP A CA 1 ATOM 241 C C . ASP A 1 33 ? 15.507 -28.139 9.618 1.00 10.85 ? 33 ASP A C 1 ATOM 242 O O . ASP A 1 33 ? 16.336 -27.383 10.111 1.00 10.95 ? 33 ASP A O 1 ATOM 243 C CB . ASP A 1 33 ? 17.081 -28.797 7.719 1.00 12.34 ? 33 ASP A CB 1 ATOM 244 C CG . ASP A 1 33 ? 17.764 -29.955 8.453 1.00 14.83 ? 33 ASP A CG 1 ATOM 245 O OD1 . ASP A 1 33 ? 17.298 -30.433 9.504 1.00 15.66 ? 33 ASP A OD1 1 ATOM 246 O OD2 . ASP A 1 33 ? 18.839 -30.373 7.955 1.00 19.19 ? 33 ASP A OD2 1 ATOM 247 N N . ALA A 1 34 ? 14.486 -28.646 10.312 1.00 10.71 ? 34 ALA A N 1 ATOM 248 C CA . ALA A 1 34 ? 14.229 -28.241 11.692 1.00 10.68 ? 34 ALA A CA 1 ATOM 249 C C . ALA A 1 34 ? 15.375 -28.600 12.626 1.00 10.58 ? 34 ALA A C 1 ATOM 250 O O . ALA A 1 34 ? 15.783 -27.784 13.442 1.00 10.51 ? 34 ALA A O 1 ATOM 251 C CB . ALA A 1 34 ? 12.936 -28.841 12.203 1.00 10.79 ? 34 ALA A CB 1 ATOM 252 N N . THR A 1 35 ? 15.885 -29.823 12.501 1.00 11.02 ? 35 THR A N 1 ATOM 253 C CA . THR A 1 35 ? 16.966 -30.286 13.368 1.00 11.40 ? 35 THR A CA 1 ATOM 254 C C . THR A 1 35 ? 18.230 -29.433 13.229 1.00 11.03 ? 35 THR A C 1 ATOM 255 O O . THR A 1 35 ? 18.808 -29.015 14.238 1.00 10.71 ? 35 THR A O 1 ATOM 256 C CB . THR A 1 35 ? 17.291 -31.766 13.092 1.00 11.81 ? 35 THR A CB 1 ATOM 257 O OG1 . THR A 1 35 ? 16.099 -32.541 13.247 1.00 14.29 ? 35 THR A OG1 1 ATOM 258 C CG2 . THR A 1 35 ? 18.368 -32.286 14.056 1.00 12.61 ? 35 THR A CG2 1 ATOM 259 N N . SER A 1 36 ? 18.648 -29.178 11.989 1.00 10.59 ? 36 SER A N 1 ATOM 260 C CA . SER A 1 36 ? 19.807 -28.316 11.725 1.00 10.93 ? 36 SER A CA 1 ATOM 261 C C . SER A 1 36 ? 19.589 -26.877 12.171 1.00 10.54 ? 36 SER A C 1 ATOM 262 O O . SER A 1 36 ? 20.493 -26.244 12.715 1.00 10.35 ? 36 SER A O 1 ATOM 263 C CB . SER A 1 36 ? 20.208 -28.362 10.252 1.00 11.35 ? 36 SER A CB 1 ATOM 264 O OG . SER A 1 36 ? 20.610 -29.675 9.909 1.00 14.40 ? 36 SER A OG 1 ATOM 265 N N . PHE A 1 37 ? 18.379 -26.365 11.955 1.00 9.83 ? 37 PHE A N 1 ATOM 266 C CA . PHE A 1 37 ? 18.044 -25.021 12.412 1.00 9.17 ? 37 PHE A CA 1 ATOM 267 C C . PHE A 1 37 ? 18.186 -24.916 13.925 1.00 8.72 ? 37 PHE A C 1 ATOM 268 O O . PHE A 1 37 ? 18.776 -23.957 14.429 1.00 8.45 ? 37 PHE A O 1 ATOM 269 C CB . PHE A 1 37 ? 16.615 -24.646 11.995 1.00 9.11 ? 37 PHE A CB 1 ATOM 270 C CG . PHE A 1 37 ? 16.183 -23.283 12.470 1.00 7.98 ? 37 PHE A CG 1 ATOM 271 C CD1 . PHE A 1 37 ? 16.527 -22.147 11.743 1.00 8.77 ? 37 PHE A CD1 1 ATOM 272 C CD2 . PHE A 1 37 ? 15.454 -23.133 13.653 1.00 8.65 ? 37 PHE A CD2 1 ATOM 273 C CE1 . PHE A 1 37 ? 16.135 -20.868 12.178 1.00 9.51 ? 37 PHE A CE1 1 ATOM 274 C CE2 . PHE A 1 37 ? 15.059 -21.857 14.100 1.00 8.60 ? 37 PHE A CE2 1 ATOM 275 C CZ . PHE A 1 37 ? 15.397 -20.725 13.360 1.00 8.33 ? 37 PHE A CZ 1 ATOM 276 N N . LYS A 1 38 ? 17.645 -25.902 14.641 1.00 8.24 ? 38 LYS A N 1 ATOM 277 C CA . LYS A 1 38 ? 17.703 -25.926 16.103 1.00 8.33 ? 38 LYS A CA 1 ATOM 278 C C . LYS A 1 38 ? 19.138 -26.008 16.613 1.00 8.51 ? 38 LYS A C 1 ATOM 279 O O . LYS A 1 38 ? 19.488 -25.339 17.575 1.00 9.16 ? 38 LYS A O 1 ATOM 280 C CB . LYS A 1 38 ? 16.874 -27.081 16.660 1.00 8.55 ? 38 LYS A CB 1 ATOM 281 C CG . LYS A 1 38 ? 15.370 -26.875 16.491 1.00 9.40 ? 38 LYS A CG 1 ATOM 282 C CD . LYS A 1 38 ? 14.580 -28.037 17.041 1.00 12.49 ? 38 LYS A CD 1 ATOM 283 C CE . LYS A 1 38 ? 13.118 -27.879 16.682 1.00 14.15 ? 38 LYS A CE 1 ATOM 284 N NZ . LYS A 1 38 ? 12.270 -28.856 17.395 1.00 16.10 ? 38 LYS A NZ 1 ATOM 285 N N . THR A 1 39 ? 19.958 -26.823 15.948 1.00 9.24 ? 39 THR A N 1 ATOM 286 C CA . THR A 1 39 ? 21.378 -26.947 16.291 1.00 9.62 ? 39 THR A CA 1 ATOM 287 C C . THR A 1 39 ? 22.087 -25.601 16.142 1.00 9.90 ? 39 THR A C 1 ATOM 288 O O . THR A 1 39 ? 22.792 -25.164 17.053 1.00 9.75 ? 39 THR A O 1 ATOM 289 C CB . THR A 1 39 ? 22.056 -28.037 15.426 1.00 9.71 ? 39 THR A CB 1 ATOM 290 O OG1 . THR A 1 39 ? 21.496 -29.311 15.763 1.00 10.52 ? 39 THR A OG1 1 ATOM 291 C CG2 . THR A 1 39 ? 23.572 -28.077 15.644 1.00 10.19 ? 39 THR A CG2 1 ATOM 292 N N . ALA A 1 40 ? 21.849 -24.922 15.017 1.00 10.40 ? 40 ALA A N 1 ATOM 293 C CA . ALA A 1 40 ? 22.416 -23.590 14.802 1.00 11.00 ? 40 ALA A CA 1 ATOM 294 C C . ALA A 1 40 ? 21.915 -22.576 15.825 1.00 11.13 ? 40 ALA A C 1 ATOM 295 O O . ALA A 1 40 ? 22.684 -21.745 16.324 1.00 11.13 ? 40 ALA A O 1 ATOM 296 C CB . ALA A 1 40 ? 22.118 -23.107 13.395 1.00 10.91 ? 40 ALA A CB 1 ATOM 297 N N . LEU A 1 41 ? 20.626 -22.649 16.149 1.00 11.52 ? 41 LEU A N 1 ATOM 298 C CA . LEU A 1 41 ? 20.031 -21.724 17.097 1.00 12.03 ? 41 LEU A CA 1 ATOM 299 C C . LEU A 1 41 ? 20.728 -21.754 18.465 1.00 11.72 ? 41 LEU A C 1 ATOM 300 O O . LEU A 1 41 ? 20.915 -20.712 19.105 1.00 11.75 ? 41 LEU A O 1 ATOM 301 C CB . LEU A 1 41 ? 18.526 -21.995 17.221 1.00 12.79 ? 41 LEU A CB 1 ATOM 302 C CG . LEU A 1 41 ? 17.628 -20.893 17.763 1.00 13.89 ? 41 LEU A CG 1 ATOM 303 C CD1 . LEU A 1 41 ? 17.693 -19.641 16.890 1.00 13.87 ? 41 LEU A CD1 1 ATOM 304 C CD2 . LEU A 1 41 ? 16.210 -21.421 17.827 1.00 14.62 ? 41 LEU A CD2 1 ATOM 305 N N . LYS A 1 42 ? 21.138 -22.947 18.899 1.00 11.39 ? 42 LYS A N 1 ATOM 306 C CA . LYS A 1 42 ? 21.761 -23.089 20.212 1.00 11.79 ? 42 LYS A CA 1 ATOM 307 C C . LYS A 1 42 ? 23.106 -22.372 20.327 1.00 12.22 ? 42 LYS A C 1 ATOM 308 O O . LYS A 1 42 ? 23.462 -21.925 21.411 1.00 12.32 ? 42 LYS A O 1 ATOM 309 C CB . LYS A 1 42 ? 21.881 -24.563 20.613 1.00 11.39 ? 42 LYS A CB 1 ATOM 310 C CG . LYS A 1 42 ? 20.524 -25.168 20.946 1.00 11.41 ? 42 LYS A CG 1 ATOM 311 C CD . LYS A 1 42 ? 20.603 -26.637 21.312 1.00 13.16 ? 42 LYS A CD 1 ATOM 312 C CE . LYS A 1 42 ? 20.529 -27.535 20.090 1.00 15.16 ? 42 LYS A CE 1 ATOM 313 N NZ . LYS A 1 42 ? 20.563 -28.975 20.505 1.00 16.43 ? 42 LYS A NZ 1 ATOM 314 N N . THR A 1 43 ? 23.832 -22.235 19.220 1.00 13.06 ? 43 THR A N 1 ATOM 315 C CA . THR A 1 43 ? 25.056 -21.430 19.246 1.00 13.99 ? 43 THR A CA 1 ATOM 316 C C . THR A 1 43 ? 24.797 -19.975 18.885 1.00 13.63 ? 43 THR A C 1 ATOM 317 O O . THR A 1 43 ? 25.472 -19.072 19.391 1.00 14.75 ? 43 THR A O 1 ATOM 318 C CB . THR A 1 43 ? 26.179 -21.983 18.341 1.00 14.63 ? 43 THR A CB 1 ATOM 319 O OG1 . THR A 1 43 ? 25.742 -22.034 16.981 1.00 16.52 ? 43 THR A OG1 1 ATOM 320 C CG2 . THR A 1 43 ? 26.598 -23.364 18.791 1.00 15.80 ? 43 THR A CG2 1 ATOM 321 N N . TYR A 1 44 ? 23.813 -19.739 18.020 1.00 12.72 ? 44 TYR A N 1 ATOM 322 C CA . TYR A 1 44 ? 23.534 -18.392 17.568 1.00 11.80 ? 44 TYR A CA 1 ATOM 323 C C . TYR A 1 44 ? 22.969 -17.501 18.666 1.00 11.57 ? 44 TYR A C 1 ATOM 324 O O . TYR A 1 44 ? 23.419 -16.360 18.837 1.00 12.19 ? 44 TYR A O 1 ATOM 325 C CB . TYR A 1 44 ? 22.599 -18.402 16.351 1.00 11.00 ? 44 TYR A CB 1 ATOM 326 C CG . TYR A 1 44 ? 22.430 -17.021 15.778 1.00 10.10 ? 44 TYR A CG 1 ATOM 327 C CD1 . TYR A 1 44 ? 23.374 -16.500 14.899 1.00 10.51 ? 44 TYR A CD1 1 ATOM 328 C CD2 . TYR A 1 44 ? 21.338 -16.226 16.130 1.00 9.96 ? 44 TYR A CD2 1 ATOM 329 C CE1 . TYR A 1 44 ? 23.241 -15.230 14.375 1.00 9.90 ? 44 TYR A CE1 1 ATOM 330 C CE2 . TYR A 1 44 ? 21.195 -14.947 15.619 1.00 9.65 ? 44 TYR A CE2 1 ATOM 331 C CZ . TYR A 1 44 ? 22.153 -14.453 14.744 1.00 10.38 ? 44 TYR A CZ 1 ATOM 332 O OH . TYR A 1 44 ? 22.034 -13.184 14.239 1.00 9.93 ? 44 TYR A OH 1 ATOM 333 N N . VAL A 1 45 ? 22.005 -18.017 19.423 1.00 11.58 ? 45 VAL A N 1 ATOM 334 C CA . VAL A 1 45 ? 21.277 -17.197 20.394 1.00 12.04 ? 45 VAL A CA 1 ATOM 335 C C . VAL A 1 45 ? 22.184 -16.565 21.465 1.00 12.63 ? 45 VAL A C 1 ATOM 336 O O . VAL A 1 45 ? 22.170 -15.338 21.628 1.00 13.12 ? 45 VAL A O 1 ATOM 337 C CB . VAL A 1 45 ? 20.049 -17.939 21.022 1.00 11.75 ? 45 VAL A CB 1 ATOM 338 C CG1 . VAL A 1 45 ? 19.445 -17.110 22.155 1.00 11.72 ? 45 VAL A CG1 1 ATOM 339 C CG2 . VAL A 1 45 ? 18.999 -18.202 19.967 1.00 12.08 ? 45 VAL A CG2 1 ATOM 340 N N . PRO A 1 46 ? 22.989 -17.378 22.183 1.00 13.26 ? 46 PRO A N 1 ATOM 341 C CA . PRO A 1 46 ? 23.813 -16.760 23.232 1.00 13.48 ? 46 PRO A CA 1 ATOM 342 C C . PRO A 1 46 ? 24.785 -15.706 22.707 1.00 13.77 ? 46 PRO A C 1 ATOM 343 O O . PRO A 1 46 ? 25.093 -14.753 23.423 1.00 14.56 ? 46 PRO A O 1 ATOM 344 C CB . PRO A 1 46 ? 24.583 -17.948 23.830 1.00 13.45 ? 46 PRO A CB 1 ATOM 345 C CG . PRO A 1 46 ? 24.504 -19.023 22.808 1.00 14.16 ? 46 PRO A CG 1 ATOM 346 C CD . PRO A 1 46 ? 23.157 -18.843 22.170 1.00 13.26 ? 46 PRO A CD 1 ATOM 347 N N . GLU A 1 47 ? 25.224 -15.860 21.463 1.00 13.81 ? 47 GLU A N 1 ATOM 348 C CA . GLU A 1 47 ? 26.217 -14.967 20.884 1.00 14.34 ? 47 GLU A CA 1 ATOM 349 C C . GLU A 1 47 ? 25.633 -13.696 20.278 1.00 13.22 ? 47 GLU A C 1 ATOM 350 O O . GLU A 1 47 ? 26.303 -12.662 20.267 1.00 13.87 ? 47 GLU A O 1 ATOM 351 C CB . GLU A 1 47 ? 27.049 -15.700 19.826 1.00 14.79 ? 47 GLU A CB 1 ATOM 352 C CG . GLU A 1 47 ? 27.955 -16.804 20.382 1.00 18.46 ? 47 GLU A CG 1 ATOM 353 C CD . GLU A 1 47 ? 29.116 -16.268 21.219 1.00 23.02 ? 47 GLU A CD 1 ATOM 354 O OE1 . GLU A 1 47 ? 29.624 -15.158 20.930 1.00 25.82 ? 47 GLU A OE1 1 ATOM 355 O OE2 . GLU A 1 47 ? 29.528 -16.970 22.167 1.00 26.41 ? 47 GLU A OE2 1 ATOM 356 N N . ARG A 1 48 ? 24.402 -13.771 19.764 1.00 12.25 ? 48 ARG A N 1 ATOM 357 C CA . ARG A 1 48 ? 23.867 -12.677 18.940 1.00 10.94 ? 48 ARG A CA 1 ATOM 358 C C . ARG A 1 48 ? 22.542 -12.035 19.364 1.00 10.28 ? 48 ARG A C 1 ATOM 359 O O . ARG A 1 48 ? 22.272 -10.897 18.986 1.00 9.75 ? 48 ARG A O 1 ATOM 360 C CB . ARG A 1 48 ? 23.744 -13.132 17.482 1.00 10.69 ? 48 ARG A CB 1 ATOM 361 C CG . ARG A 1 48 ? 25.043 -13.576 16.848 1.00 12.20 ? 48 ARG A CG 1 ATOM 362 C CD . ARG A 1 48 ? 25.895 -12.387 16.436 1.00 14.80 ? 48 ARG A CD 1 ATOM 363 N NE . ARG A 1 48 ? 27.172 -12.858 15.911 1.00 18.14 ? 48 ARG A NE 1 ATOM 364 C CZ . ARG A 1 48 ? 28.320 -12.831 16.582 1.00 19.49 ? 48 ARG A CZ 1 ATOM 365 N NH1 . ARG A 1 48 ? 28.373 -12.333 17.811 1.00 20.44 ? 48 ARG A NH1 1 ATOM 366 N NH2 . ARG A 1 48 ? 29.423 -13.299 16.012 1.00 21.60 ? 48 ARG A NH2 1 ATOM 367 N N . ILE A 1 49 ? 21.696 -12.758 20.095 1.00 9.53 ? 49 ILE A N 1 ATOM 368 C CA . ILE A 1 49 ? 20.356 -12.231 20.409 1.00 9.16 ? 49 ILE A CA 1 ATOM 369 C C . ILE A 1 49 ? 20.456 -11.216 21.554 1.00 9.13 ? 49 ILE A C 1 ATOM 370 O O . ILE A 1 49 ? 20.937 -11.531 22.643 1.00 9.75 ? 49 ILE A O 1 ATOM 371 C CB . ILE A 1 49 ? 19.314 -13.361 20.675 1.00 9.27 ? 49 ILE A CB 1 ATOM 372 C CG1 . ILE A 1 49 ? 19.104 -14.214 19.399 1.00 8.59 ? 49 ILE A CG1 1 ATOM 373 C CG2 . ILE A 1 49 ? 17.995 -12.781 21.202 1.00 9.14 ? 49 ILE A CG2 1 ATOM 374 C CD1 . ILE A 1 49 ? 18.403 -13.486 18.239 1.00 8.89 ? 49 ILE A CD1 1 ATOM 375 N N . THR A 1 50 ? 20.013 -9.994 21.274 1.00 8.08 ? 50 THR A N 1 ATOM 376 C CA . THR A 1 50 ? 20.233 -8.845 22.143 1.00 7.71 ? 50 THR A CA 1 ATOM 377 C C . THR A 1 50 ? 19.098 -8.638 23.141 1.00 8.04 ? 50 THR A C 1 ATOM 378 O O . THR A 1 50 ? 17.935 -8.440 22.755 1.00 8.09 ? 50 THR A O 1 ATOM 379 C CB . THR A 1 50 ? 20.408 -7.584 21.288 1.00 8.18 ? 50 THR A CB 1 ATOM 380 O OG1 . THR A 1 50 ? 21.344 -7.856 20.236 1.00 8.01 ? 50 THR A OG1 1 ATOM 381 C CG2 . THR A 1 50 ? 20.924 -6.437 22.123 1.00 8.74 ? 50 THR A CG2 1 ATOM 382 N N . SER A 1 51 ? 19.443 -8.669 24.425 1.00 8.15 ? 51 SER A N 1 ATOM 383 C CA . SER A 1 51 ? 18.466 -8.477 25.493 1.00 8.32 ? 51 SER A CA 1 ATOM 384 C C . SER A 1 51 ? 18.159 -7.002 25.780 1.00 8.13 ? 51 SER A C 1 ATOM 385 O O . SER A 1 51 ? 18.917 -6.103 25.385 1.00 8.88 ? 51 SER A O 1 ATOM 386 C CB . SER A 1 51 ? 18.974 -9.126 26.776 1.00 8.78 ? 51 SER A CB 1 ATOM 387 O OG . SER A 1 51 ? 20.076 -8.373 27.275 1.00 9.44 ? 51 SER A OG 1 ATOM 388 N N . ALA A 1 52 ? 17.066 -6.760 26.494 1.00 8.74 ? 52 ALA A N 1 ATOM 389 C CA . ALA A 1 52 ? 16.757 -5.428 27.012 1.00 9.15 ? 52 ALA A CA 1 ATOM 390 C C . ALA A 1 52 ? 17.895 -4.879 27.886 1.00 9.64 ? 52 ALA A C 1 ATOM 391 O O . ALA A 1 52 ? 18.200 -3.673 27.831 1.00 10.13 ? 52 ALA A O 1 ATOM 392 C CB . ALA A 1 52 ? 15.408 -5.432 27.767 1.00 9.26 ? 52 ALA A CB 1 ATOM 393 N N . ALA A 1 53 ? 18.542 -5.764 28.647 1.00 9.66 ? 53 ALA A N 1 ATOM 394 C CA . ALA A 1 53 ? 19.661 -5.369 29.509 1.00 10.41 ? 53 ALA A CA 1 ATOM 395 C C . ALA A 1 53 ? 20.822 -4.797 28.696 1.00 11.10 ? 53 ALA A C 1 ATOM 396 O O . ALA A 1 53 ? 21.416 -3.793 29.088 1.00 11.37 ? 53 ALA A O 1 ATOM 397 C CB . ALA A 1 53 ? 20.126 -6.548 30.358 1.00 9.84 ? 53 ALA A CB 1 ATOM 398 N N . ILE A 1 54 ? 21.138 -5.419 27.561 1.00 11.30 ? 54 ILE A N 1 ATOM 399 C CA . ILE A 1 54 ? 22.186 -4.885 26.679 1.00 12.33 ? 54 ILE A CA 1 ATOM 400 C C . ILE A 1 54 ? 21.798 -3.515 26.100 1.00 12.68 ? 54 ILE A C 1 ATOM 401 O O . ILE A 1 54 ? 22.629 -2.599 26.030 1.00 13.10 ? 54 ILE A O 1 ATOM 402 C CB . ILE A 1 54 ? 22.562 -5.887 25.549 1.00 12.50 ? 54 ILE A CB 1 ATOM 403 C CG1 . ILE A 1 54 ? 23.184 -7.167 26.132 1.00 13.54 ? 54 ILE A CG1 1 ATOM 404 C CG2 . ILE A 1 54 ? 23.489 -5.238 24.518 1.00 13.28 ? 54 ILE A CG2 1 ATOM 405 C CD1 . ILE A 1 54 ? 24.473 -6.982 26.946 1.00 16.82 ? 54 ILE A CD1 1 ATOM 406 N N . LEU A 1 55 ? 20.541 -3.370 25.701 1.00 12.82 ? 55 LEU A N 1 ATOM 407 C CA . LEU A 1 55 ? 20.064 -2.110 25.139 1.00 13.50 ? 55 LEU A CA 1 ATOM 408 C C . LEU A 1 55 ? 20.098 -0.932 26.117 1.00 14.32 ? 55 LEU A C 1 ATOM 409 O O . LEU A 1 55 ? 20.244 0.218 25.689 1.00 14.91 ? 55 LEU A O 1 ATOM 410 C CB . LEU A 1 55 ? 18.664 -2.269 24.557 1.00 12.93 ? 55 LEU A CB 1 ATOM 411 C CG . LEU A 1 55 ? 18.555 -3.115 23.285 1.00 12.15 ? 55 LEU A CG 1 ATOM 412 C CD1 . LEU A 1 55 ? 17.184 -2.907 22.658 1.00 11.53 ? 55 LEU A CD1 1 ATOM 413 C CD2 . LEU A 1 55 ? 19.618 -2.755 22.289 1.00 13.93 ? 55 LEU A CD2 1 ATOM 414 N N . ILE A 1 56 ? 19.948 -1.203 27.414 1.00 15.43 ? 56 ILE A N 1 ATOM 415 C CA . ILE A 1 56 ? 20.006 -0.126 28.416 1.00 16.69 ? 56 ILE A CA 1 ATOM 416 C C . ILE A 1 56 ? 21.413 0.105 28.963 1.00 17.56 ? 56 ILE A C 1 ATOM 417 O O . ILE A 1 56 ? 21.625 1.023 29.759 1.00 17.78 ? 56 ILE A O 1 ATOM 418 C CB . ILE A 1 56 ? 18.993 -0.308 29.587 1.00 16.77 ? 56 ILE A CB 1 ATOM 419 C CG1 . ILE A 1 56 ? 19.300 -1.568 30.406 1.00 16.53 ? 56 ILE A CG1 1 ATOM 420 C CG2 . ILE A 1 56 ? 17.558 -0.258 29.076 1.00 17.15 ? 56 ILE A CG2 1 ATOM 421 C CD1 . ILE A 1 56 ? 18.501 -1.665 31.709 1.00 18.14 ? 56 ILE A CD1 1 ATOM 422 N N . SER A 1 57 ? 22.362 -0.722 28.538 1.00 18.24 ? 57 SER A N 1 ATOM 423 C CA . SER A 1 57 ? 23.756 -0.564 28.935 1.00 19.52 ? 57 SER A CA 1 ATOM 424 C C . SER A 1 57 ? 24.408 0.618 28.209 1.00 20.07 ? 57 SER A C 1 ATOM 425 O O . SER A 1 57 ? 23.891 1.107 27.193 1.00 20.29 ? 57 SER A O 1 ATOM 426 C CB . SER A 1 57 ? 24.550 -1.844 28.660 1.00 19.16 ? 57 SER A CB 1 ATOM 427 O OG . SER A 1 57 ? 23.990 -2.960 29.337 1.00 20.09 ? 57 SER A OG 1 ATOM 428 N N . ASP A 1 58 ? 25.540 1.076 28.740 1.00 21.07 ? 58 ASP A N 1 ATOM 429 C CA . ASP A 1 58 ? 26.351 2.087 28.068 1.00 22.01 ? 58 ASP A CA 1 ATOM 430 C C . ASP A 1 58 ? 26.770 1.581 26.677 1.00 22.34 ? 58 ASP A C 1 ATOM 431 O O . ASP A 1 58 ? 27.059 0.391 26.522 1.00 22.31 ? 58 ASP A O 1 ATOM 432 C CB . ASP A 1 58 ? 27.587 2.414 28.909 1.00 22.49 ? 58 ASP A CB 1 ATOM 433 C CG . ASP A 1 58 ? 28.342 3.627 28.390 1.00 24.04 ? 58 ASP A CG 1 ATOM 434 O OD1 . ASP A 1 58 ? 27.953 4.767 28.733 1.00 25.78 ? 58 ASP A OD1 1 ATOM 435 O OD2 . ASP A 1 58 ? 29.322 3.437 27.634 1.00 26.83 ? 58 ASP A OD2 1 ATOM 436 N N . PRO A 1 59 ? 26.804 2.480 25.665 1.00 22.34 ? 59 PRO A N 1 ATOM 437 C CA . PRO A 1 59 ? 27.176 2.094 24.294 1.00 22.47 ? 59 PRO A CA 1 ATOM 438 C C . PRO A 1 59 ? 28.502 1.328 24.188 1.00 22.52 ? 59 PRO A C 1 ATOM 439 O O . PRO A 1 59 ? 28.666 0.499 23.288 1.00 22.49 ? 59 PRO A O 1 ATOM 440 C CB . PRO A 1 59 ? 27.275 3.440 23.569 1.00 22.46 ? 59 PRO A CB 1 ATOM 441 C CG . PRO A 1 59 ? 26.367 4.334 24.306 1.00 22.64 ? 59 PRO A CG 1 ATOM 442 C CD . PRO A 1 59 ? 26.409 3.901 25.742 1.00 22.48 ? 59 PRO A CD 1 ATOM 443 N N . SER A 1 60 ? 29.432 1.598 25.102 1.00 22.92 ? 60 SER A N 1 ATOM 444 C CA . SER A 1 60 ? 30.723 0.903 25.132 1.00 23.09 ? 60 SER A CA 1 ATOM 445 C C . SER A 1 60 ? 30.586 -0.590 25.458 1.00 22.75 ? 60 SER A C 1 ATOM 446 O O . SER A 1 60 ? 31.493 -1.377 25.176 1.00 23.16 ? 60 SER A O 1 ATOM 447 C CB . SER A 1 60 ? 31.680 1.583 26.119 1.00 23.32 ? 60 SER A CB 1 ATOM 448 O OG . SER A 1 60 ? 31.208 1.489 27.456 1.00 25.08 ? 60 SER A OG 1 ATOM 449 N N . GLN A 1 61 ? 29.442 -0.974 26.025 1.00 22.30 ? 61 GLN A N 1 ATOM 450 C CA . GLN A 1 61 ? 29.187 -2.361 26.426 1.00 21.64 ? 61 GLN A CA 1 ATOM 451 C C . GLN A 1 61 ? 28.305 -3.101 25.413 1.00 20.52 ? 61 GLN A C 1 ATOM 452 O O . GLN A 1 61 ? 27.913 -4.251 25.634 1.00 20.56 ? 61 GLN A O 1 ATOM 453 C CB . GLN A 1 61 ? 28.528 -2.407 27.812 1.00 22.40 ? 61 GLN A CB 1 ATOM 454 C CG . GLN A 1 61 ? 29.107 -1.443 28.852 1.00 24.78 ? 61 GLN A CG 1 ATOM 455 C CD . GLN A 1 61 ? 30.562 -1.718 29.189 1.00 27.53 ? 61 GLN A CD 1 ATOM 456 O OE1 . GLN A 1 61 ? 30.996 -2.873 29.256 1.00 29.79 ? 61 GLN A OE1 1 ATOM 457 N NE2 . GLN A 1 61 ? 31.322 -0.652 29.418 1.00 29.26 ? 61 GLN A NE2 1 ATOM 458 N N . GLN A 1 62 ? 28.012 -2.439 24.299 1.00 18.52 ? 62 GLN A N 1 ATOM 459 C CA . GLN A 1 62 ? 27.075 -2.962 23.311 1.00 17.02 ? 62 GLN A CA 1 ATOM 460 C C . GLN A 1 62 ? 27.792 -3.484 22.066 1.00 15.70 ? 62 GLN A C 1 ATOM 461 O O . GLN A 1 62 ? 28.817 -2.933 21.665 1.00 15.69 ? 62 GLN A O 1 ATOM 462 C CB . GLN A 1 62 ? 26.080 -1.874 22.914 1.00 17.17 ? 62 GLN A CB 1 ATOM 463 C CG . GLN A 1 62 ? 25.195 -1.373 24.044 1.00 17.07 ? 62 GLN A CG 1 ATOM 464 C CD . GLN A 1 62 ? 24.222 -0.309 23.582 1.00 18.35 ? 62 GLN A CD 1 ATOM 465 O OE1 . GLN A 1 62 ? 24.477 0.408 22.608 1.00 19.06 ? 62 GLN A OE1 1 ATOM 466 N NE2 . GLN A 1 62 ? 23.095 -0.196 24.277 1.00 19.03 ? 62 GLN A NE2 1 ATOM 467 N N . PRO A 1 63 ? 27.252 -4.550 21.447 1.00 14.13 ? 63 PRO A N 1 ATOM 468 C CA . PRO A 1 63 ? 27.768 -5.035 20.167 1.00 12.74 ? 63 PRO A CA 1 ATOM 469 C C . PRO A 1 63 ? 27.509 -4.029 19.037 1.00 11.81 ? 63 PRO A C 1 ATOM 470 O O . PRO A 1 63 ? 26.733 -3.086 19.211 1.00 12.15 ? 63 PRO A O 1 ATOM 471 C CB . PRO A 1 63 ? 26.953 -6.312 19.930 1.00 12.84 ? 63 PRO A CB 1 ATOM 472 C CG . PRO A 1 63 ? 25.671 -6.056 20.645 1.00 13.73 ? 63 PRO A CG 1 ATOM 473 C CD . PRO A 1 63 ? 26.081 -5.333 21.890 1.00 14.29 ? 63 PRO A CD 1 ATOM 474 N N . LEU A 1 64 ? 28.145 -4.245 17.891 1.00 10.58 ? 64 LEU A N 1 ATOM 475 C CA . LEU A 1 64 ? 28.039 -3.326 16.756 1.00 10.09 ? 64 LEU A CA 1 ATOM 476 C C . LEU A 1 64 ? 26.702 -3.436 16.020 1.00 9.83 ? 64 LEU A C 1 ATOM 477 O O . LEU A 1 64 ? 26.347 -2.554 15.239 1.00 9.52 ? 64 LEU A O 1 ATOM 478 C CB . LEU A 1 64 ? 29.202 -3.548 15.785 1.00 10.31 ? 64 LEU A CB 1 ATOM 479 C CG . LEU A 1 64 ? 30.562 -3.065 16.301 1.00 10.37 ? 64 LEU A CG 1 ATOM 480 C CD1 . LEU A 1 64 ? 31.672 -3.612 15.397 1.00 11.01 ? 64 LEU A CD1 1 ATOM 481 C CD2 . LEU A 1 64 ? 30.635 -1.553 16.389 1.00 10.36 ? 64 LEU A CD2 1 ATOM 482 N N . ALA A 1 65 ? 25.975 -4.524 16.283 1.00 9.32 ? 65 ALA A N 1 ATOM 483 C CA . ALA A 1 65 ? 24.610 -4.689 15.784 1.00 8.60 ? 65 ALA A CA 1 ATOM 484 C C . ALA A 1 65 ? 23.812 -5.516 16.769 1.00 8.34 ? 65 ALA A C 1 ATOM 485 O O . ALA A 1 65 ? 24.365 -6.352 17.485 1.00 8.26 ? 65 ALA A O 1 ATOM 486 C CB . ALA A 1 65 ? 24.604 -5.358 14.424 1.00 8.55 ? 65 ALA A CB 1 ATOM 487 N N . PHE A 1 66 ? 22.507 -5.279 16.791 1.00 7.93 ? 66 PHE A N 1 ATOM 488 C CA . PHE A 1 66 ? 21.597 -6.021 17.650 1.00 7.46 ? 66 PHE A CA 1 ATOM 489 C C . PHE A 1 66 ? 20.781 -6.982 16.793 1.00 7.04 ? 66 PHE A C 1 ATOM 490 O O . PHE A 1 66 ? 20.440 -6.665 15.661 1.00 7.56 ? 66 PHE A O 1 ATOM 491 C CB . PHE A 1 66 ? 20.631 -5.063 18.350 1.00 7.62 ? 66 PHE A CB 1 ATOM 492 C CG . PHE A 1 66 ? 21.297 -3.904 19.058 1.00 9.44 ? 66 PHE A CG 1 ATOM 493 C CD1 . PHE A 1 66 ? 22.439 -4.093 19.831 1.00 11.97 ? 66 PHE A CD1 1 ATOM 494 C CD2 . PHE A 1 66 ? 20.742 -2.633 18.987 1.00 11.02 ? 66 PHE A CD2 1 ATOM 495 C CE1 . PHE A 1 66 ? 23.030 -3.020 20.505 1.00 12.56 ? 66 PHE A CE1 1 ATOM 496 C CE2 . PHE A 1 66 ? 21.336 -1.550 19.657 1.00 13.18 ? 66 PHE A CE2 1 ATOM 497 C CZ . PHE A 1 66 ? 22.480 -1.751 20.413 1.00 13.58 ? 66 PHE A CZ 1 ATOM 498 N N . VAL A 1 67 ? 20.454 -8.147 17.338 1.00 7.09 ? 67 VAL A N 1 ATOM 499 C CA . VAL A 1 67 ? 19.605 -9.094 16.622 1.00 7.00 ? 67 VAL A CA 1 ATOM 500 C C . VAL A 1 67 ? 18.490 -9.596 17.528 1.00 6.86 ? 67 VAL A C 1 ATOM 501 O O . VAL A 1 67 ? 18.731 -9.988 18.673 1.00 7.00 ? 67 VAL A O 1 ATOM 502 C CB . VAL A 1 67 ? 20.408 -10.300 16.044 1.00 7.09 ? 67 VAL A CB 1 ATOM 503 C CG1 . VAL A 1 67 ? 19.497 -11.210 15.228 1.00 7.11 ? 67 VAL A CG1 1 ATOM 504 C CG2 . VAL A 1 67 ? 21.562 -9.816 15.187 1.00 6.75 ? 67 VAL A CG2 1 ATOM 505 N N . ASN A 1 68 ? 17.269 -9.572 17.004 1.00 6.35 ? 68 ASN A N 1 ATOM 506 C CA . ASN A 1 68 ? 16.127 -10.218 17.647 1.00 5.88 ? 68 ASN A CA 1 ATOM 507 C C . ASN A 1 68 ? 15.503 -11.201 16.648 1.00 5.68 ? 68 ASN A C 1 ATOM 508 O O . ASN A 1 68 ? 15.797 -11.150 15.447 1.00 6.08 ? 68 ASN A O 1 ATOM 509 C CB . ASN A 1 68 ? 15.092 -9.186 18.126 1.00 6.14 ? 68 ASN A CB 1 ATOM 510 C CG . ASN A 1 68 ? 15.433 -8.525 19.484 1.00 5.32 ? 68 ASN A CG 1 ATOM 511 O OD1 . ASN A 1 68 ? 14.626 -7.739 19.991 1.00 6.83 ? 68 ASN A OD1 1 ATOM 512 N ND2 . ASN A 1 68 ? 16.605 -8.836 20.068 1.00 7.05 ? 68 ASN A ND2 1 ATOM 513 N N . LEU A 1 69 ? 14.657 -12.100 17.146 1.00 5.60 ? 69 LEU A N 1 ATOM 514 C CA . LEU A 1 69 ? 14.144 -13.198 16.325 1.00 5.39 ? 69 LEU A CA 1 ATOM 515 C C . LEU A 1 69 ? 12.725 -13.562 16.721 1.00 5.13 ? 69 LEU A C 1 ATOM 516 O O . LEU A 1 69 ? 12.458 -13.844 17.886 1.00 5.34 ? 69 LEU A O 1 ATOM 517 C CB . LEU A 1 69 ? 15.069 -14.422 16.455 1.00 5.80 ? 69 LEU A CB 1 ATOM 518 C CG . LEU A 1 69 ? 14.622 -15.767 15.865 1.00 5.53 ? 69 LEU A CG 1 ATOM 519 C CD1 . LEU A 1 69 ? 14.475 -15.727 14.343 1.00 6.07 ? 69 LEU A CD1 1 ATOM 520 C CD2 . LEU A 1 69 ? 15.626 -16.833 16.261 1.00 6.92 ? 69 LEU A CD2 1 ATOM 521 N N . GLY A 1 70 ? 11.830 -13.564 15.729 1.00 4.84 ? 70 GLY A N 1 ATOM 522 C CA . GLY A 1 70 ? 10.436 -13.948 15.943 1.00 5.15 ? 70 GLY A CA 1 ATOM 523 C C . GLY A 1 70 ? 10.025 -15.060 15.003 1.00 5.19 ? 70 GLY A C 1 ATOM 524 O O . GLY A 1 70 ? 10.625 -15.234 13.934 1.00 5.60 ? 70 GLY A O 1 ATOM 525 N N . PHE A 1 71 ? 8.988 -15.798 15.402 1.00 4.57 ? 71 PHE A N 1 ATOM 526 C CA . PHE A 1 71 ? 8.454 -16.906 14.601 1.00 4.64 ? 71 PHE A CA 1 ATOM 527 C C . PHE A 1 71 ? 6.980 -16.703 14.286 1.00 4.41 ? 71 PHE A C 1 ATOM 528 O O . PHE A 1 71 ? 6.218 -16.188 15.111 1.00 5.05 ? 71 PHE A O 1 ATOM 529 C CB . PHE A 1 71 ? 8.613 -18.247 15.332 1.00 5.11 ? 71 PHE A CB 1 ATOM 530 C CG . PHE A 1 71 ? 10.035 -18.640 15.530 1.00 5.22 ? 71 PHE A CG 1 ATOM 531 C CD1 . PHE A 1 71 ? 10.729 -19.280 14.513 1.00 6.51 ? 71 PHE A CD1 1 ATOM 532 C CD2 . PHE A 1 71 ? 10.704 -18.331 16.713 1.00 5.52 ? 71 PHE A CD2 1 ATOM 533 C CE1 . PHE A 1 71 ? 12.067 -19.619 14.670 1.00 8.42 ? 71 PHE A CE1 1 ATOM 534 C CE2 . PHE A 1 71 ? 12.045 -18.667 16.877 1.00 7.86 ? 71 PHE A CE2 1 ATOM 535 C CZ . PHE A 1 71 ? 12.719 -19.311 15.850 1.00 8.14 ? 71 PHE A CZ 1 ATOM 536 N N . SER A 1 72 ? 6.576 -17.099 13.084 1.00 4.60 ? 72 SER A N 1 ATOM 537 C CA . SER A 1 72 ? 5.157 -17.127 12.757 1.00 4.89 ? 72 SER A CA 1 ATOM 538 C C . SER A 1 72 ? 4.571 -18.433 13.278 1.00 4.79 ? 72 SER A C 1 ATOM 539 O O . SER A 1 72 ? 5.319 -19.302 13.750 1.00 5.84 ? 72 SER A O 1 ATOM 540 C CB . SER A 1 72 ? 4.972 -17.059 11.260 1.00 5.02 ? 72 SER A CB 1 ATOM 541 O OG . SER A 1 72 ? 5.374 -18.297 10.695 1.00 5.58 ? 72 SER A OG 1 ATOM 542 N N . ASN A 1 73 ? 3.252 -18.583 13.156 1.00 5.28 ? 73 ASN A N 1 ATOM 543 C CA . ASN A 1 73 ? 2.621 -19.841 13.530 1.00 5.60 ? 73 ASN A CA 1 ATOM 544 C C . ASN A 1 73 ? 3.169 -21.014 12.717 1.00 5.62 ? 73 ASN A C 1 ATOM 545 O O . ASN A 1 73 ? 3.490 -22.074 13.273 1.00 5.50 ? 73 ASN A O 1 ATOM 546 C CB . ASN A 1 73 ? 1.106 -19.768 13.383 1.00 6.65 ? 73 ASN A CB 1 ATOM 547 C CG . ASN A 1 73 ? 0.453 -21.103 13.633 1.00 6.93 ? 73 ASN A CG 1 ATOM 548 O OD1 . ASN A 1 73 ? 0.382 -21.553 14.761 1.00 10.45 ? 73 ASN A OD1 1 ATOM 549 N ND2 . ASN A 1 73 ? 0.038 -21.772 12.564 1.00 10.95 ? 73 ASN A ND2 1 ATOM 550 N N . THR A 1 74 ? 3.279 -20.827 11.405 1.00 5.42 ? 74 THR A N 1 ATOM 551 C CA . THR A 1 74 ? 3.789 -21.913 10.573 1.00 5.72 ? 74 THR A CA 1 ATOM 552 C C . THR A 1 74 ? 5.254 -22.219 10.882 1.00 6.10 ? 74 THR A C 1 ATOM 553 O O . THR A 1 74 ? 5.684 -23.369 10.746 1.00 6.83 ? 74 THR A O 1 ATOM 554 C CB . THR A 1 74 ? 3.575 -21.662 9.064 1.00 5.18 ? 74 THR A CB 1 ATOM 555 O OG1 . THR A 1 74 ? 4.063 -20.359 8.729 1.00 6.58 ? 74 THR A OG1 1 ATOM 556 C CG2 . THR A 1 74 ? 2.088 -21.795 8.688 1.00 5.74 ? 74 THR A CG2 1 ATOM 557 N N . GLY A 1 75 ? 6.016 -21.210 11.312 1.00 6.04 ? 75 GLY A N 1 ATOM 558 C CA . GLY A 1 75 ? 7.399 -21.432 11.756 1.00 6.28 ? 75 GLY A CA 1 ATOM 559 C C . GLY A 1 75 ? 7.453 -22.323 12.975 1.00 6.34 ? 75 GLY A C 1 ATOM 560 O O . GLY A 1 75 ? 8.249 -23.268 13.036 1.00 6.87 ? 75 GLY A O 1 ATOM 561 N N . LEU A 1 76 ? 6.591 -22.034 13.949 1.00 6.35 ? 76 LEU A N 1 ATOM 562 C CA . LEU A 1 76 ? 6.543 -22.859 15.155 1.00 6.86 ? 76 LEU A CA 1 ATOM 563 C C . LEU A 1 76 ? 6.092 -24.279 14.818 1.00 7.08 ? 76 LEU A C 1 ATOM 564 O O . LEU A 1 76 ? 6.677 -25.250 15.309 1.00 7.46 ? 76 LEU A O 1 ATOM 565 C CB . LEU A 1 76 ? 5.655 -22.216 16.228 1.00 7.07 ? 76 LEU A CB 1 ATOM 566 C CG . LEU A 1 76 ? 6.150 -20.883 16.796 1.00 6.61 ? 76 LEU A CG 1 ATOM 567 C CD1 . LEU A 1 76 ? 5.170 -20.357 17.821 1.00 8.17 ? 76 LEU A CD1 1 ATOM 568 C CD2 . LEU A 1 76 ? 7.537 -21.034 17.420 1.00 7.14 ? 76 LEU A CD2 1 ATOM 569 N N . GLN A 1 77 ? 5.086 -24.406 13.954 1.00 8.21 ? 77 GLN A N 1 ATOM 570 C CA . GLN A 1 77 ? 4.637 -25.734 13.522 1.00 9.06 ? 77 GLN A CA 1 ATOM 571 C C . GLN A 1 77 ? 5.749 -26.508 12.798 1.00 9.12 ? 77 GLN A C 1 ATOM 572 O O . GLN A 1 77 ? 5.920 -27.715 13.036 1.00 9.28 ? 77 GLN A O 1 ATOM 573 C CB . GLN A 1 77 ? 3.386 -25.641 12.637 1.00 9.55 ? 77 GLN A CB 1 ATOM 574 C CG . GLN A 1 77 ? 2.152 -24.961 13.276 1.00 13.41 ? 77 GLN A CG 1 ATOM 575 C CD . GLN A 1 77 ? 1.831 -25.429 14.688 1.00 18.14 ? 77 GLN A CD 1 ATOM 576 O OE1 . GLN A 1 77 ? 1.820 -26.630 14.977 1.00 21.52 ? 77 GLN A OE1 1 ATOM 577 N NE2 . GLN A 1 77 ? 1.563 -24.475 15.579 1.00 20.06 ? 77 GLN A NE2 1 ATOM 578 N N . ALA A 1 78 ? 6.511 -25.814 11.942 1.00 8.60 ? 78 ALA A N 1 ATOM 579 C CA . ALA A 1 78 ? 7.643 -26.424 11.231 1.00 8.73 ? 78 ALA A CA 1 ATOM 580 C C . ALA A 1 78 ? 8.726 -26.942 12.175 1.00 8.81 ? 78 ALA A C 1 ATOM 581 O O . ALA A 1 78 ? 9.449 -27.894 11.839 1.00 9.44 ? 78 ALA A O 1 ATOM 582 C CB . ALA A 1 78 ? 8.238 -25.442 10.231 1.00 8.79 ? 78 ALA A CB 1 ATOM 583 N N . LEU A 1 79 ? 8.833 -26.320 13.347 1.00 8.53 ? 79 LEU A N 1 ATOM 584 C CA . LEU A 1 79 ? 9.804 -26.719 14.363 1.00 8.57 ? 79 LEU A CA 1 ATOM 585 C C . LEU A 1 79 ? 9.220 -27.653 15.422 1.00 9.14 ? 79 LEU A C 1 ATOM 586 O O . LEU A 1 79 ? 9.879 -27.936 16.417 1.00 10.13 ? 79 LEU A O 1 ATOM 587 C CB . LEU A 1 79 ? 10.434 -25.476 15.019 1.00 8.29 ? 79 LEU A CB 1 ATOM 588 C CG . LEU A 1 79 ? 11.233 -24.583 14.055 1.00 7.79 ? 79 LEU A CG 1 ATOM 589 C CD1 . LEU A 1 79 ? 11.467 -23.201 14.651 1.00 10.23 ? 79 LEU A CD1 1 ATOM 590 C CD2 . LEU A 1 79 ? 12.551 -25.264 13.668 1.00 8.83 ? 79 LEU A CD2 1 ATOM 591 N N . GLY A 1 80 ? 7.990 -28.127 15.208 1.00 8.90 ? 80 GLY A N 1 ATOM 592 C CA . GLY A 1 80 ? 7.341 -29.021 16.165 1.00 9.67 ? 80 GLY A CA 1 ATOM 593 C C . GLY A 1 80 ? 6.971 -28.366 17.485 1.00 9.95 ? 80 GLY A C 1 ATOM 594 O O . GLY A 1 80 ? 6.807 -29.057 18.498 1.00 10.54 ? 80 GLY A O 1 ATOM 595 N N . ILE A 1 81 ? 6.834 -27.040 17.481 1.00 9.69 ? 81 ILE A N 1 ATOM 596 C CA . ILE A 1 81 ? 6.402 -26.285 18.668 1.00 9.84 ? 81 ILE A CA 1 ATOM 597 C C . ILE A 1 81 ? 4.893 -26.066 18.557 1.00 9.89 ? 81 ILE A C 1 ATOM 598 O O . ILE A 1 81 ? 4.433 -25.102 17.940 1.00 10.84 ? 81 ILE A O 1 ATOM 599 C CB . ILE A 1 81 ? 7.154 -24.936 18.790 1.00 9.85 ? 81 ILE A CB 1 ATOM 600 C CG1 . ILE A 1 81 ? 8.680 -25.121 18.679 1.00 10.60 ? 81 ILE A CG1 1 ATOM 601 C CG2 . ILE A 1 81 ? 6.780 -24.216 20.073 1.00 10.33 ? 81 ILE A CG2 1 ATOM 602 C CD1 . ILE A 1 81 ? 9.329 -26.033 19.723 1.00 12.99 ? 81 ILE A CD1 1 ATOM 603 N N . THR A 1 82 ? 4.134 -26.965 19.178 1.00 9.12 ? 82 THR A N 1 ATOM 604 C CA . THR A 1 82 ? 2.727 -27.169 18.868 1.00 9.41 ? 82 THR A CA 1 ATOM 605 C C . THR A 1 82 ? 1.738 -26.612 19.904 1.00 8.51 ? 82 THR A C 1 ATOM 606 O O . THR A 1 82 ? 0.522 -26.634 19.673 1.00 8.50 ? 82 THR A O 1 ATOM 607 C CB . THR A 1 82 ? 2.455 -28.680 18.642 1.00 9.40 ? 82 THR A CB 1 ATOM 608 O OG1 . THR A 1 82 ? 2.994 -29.430 19.737 1.00 11.33 ? 82 THR A OG1 1 ATOM 609 C CG2 . THR A 1 82 ? 3.119 -29.146 17.349 1.00 10.88 ? 82 THR A CG2 1 ATOM 610 N N . ASP A 1 83 ? 2.238 -26.122 21.036 1.00 7.69 ? 83 ASP A N 1 ATOM 611 C CA . ASP A 1 83 ? 1.333 -25.596 22.065 1.00 7.34 ? 83 ASP A CA 1 ATOM 612 C C . ASP A 1 83 ? 0.678 -24.302 21.599 1.00 7.18 ? 83 ASP A C 1 ATOM 613 O O . ASP A 1 83 ? 1.341 -23.437 21.011 1.00 7.90 ? 83 ASP A O 1 ATOM 614 C CB . ASP A 1 83 ? 2.048 -25.370 23.400 1.00 7.33 ? 83 ASP A CB 1 ATOM 615 C CG . ASP A 1 83 ? 2.670 -26.640 23.964 1.00 7.36 ? 83 ASP A CG 1 ATOM 616 O OD1 . ASP A 1 83 ? 2.071 -27.735 23.843 1.00 7.88 ? 83 ASP A OD1 1 ATOM 617 O OD2 . ASP A 1 83 ? 3.781 -26.554 24.522 1.00 8.74 ? 83 ASP A OD2 1 ATOM 618 N N . ASP A 1 84 ? -0.624 -24.196 21.840 1.00 7.02 ? 84 ASP A N 1 ATOM 619 C CA . ASP A 1 84 ? -1.417 -22.988 21.560 1.00 6.48 ? 84 ASP A CA 1 ATOM 620 C C . ASP A 1 84 ? -0.921 -21.822 22.429 1.00 5.99 ? 84 ASP A C 1 ATOM 621 O O . ASP A 1 84 ? -0.859 -21.928 23.664 1.00 6.20 ? 84 ASP A O 1 ATOM 622 C CB . ASP A 1 84 ? -2.896 -23.292 21.823 1.00 6.88 ? 84 ASP A CB 1 ATOM 623 C CG . ASP A 1 84 ? -3.827 -22.120 21.554 1.00 8.27 ? 84 ASP A CG 1 ATOM 624 O OD1 . ASP A 1 84 ? -3.398 -21.049 21.071 1.00 8.28 ? 84 ASP A OD1 1 ATOM 625 O OD2 . ASP A 1 84 ? -5.035 -22.289 21.826 1.00 10.70 ? 84 ASP A OD2 1 ATOM 626 N N . LEU A 1 85 ? -0.536 -20.722 21.775 1.00 5.53 ? 85 LEU A N 1 ATOM 627 C CA . LEU A 1 85 ? -0.040 -19.541 22.488 1.00 5.45 ? 85 LEU A CA 1 ATOM 628 C C . LEU A 1 85 ? -1.150 -18.653 23.043 1.00 5.17 ? 85 LEU A C 1 ATOM 629 O O . LEU A 1 85 ? -0.863 -17.703 23.780 1.00 5.70 ? 85 LEU A O 1 ATOM 630 C CB . LEU A 1 85 ? 0.887 -18.712 21.594 1.00 5.68 ? 85 LEU A CB 1 ATOM 631 C CG . LEU A 1 85 ? 2.299 -19.260 21.419 1.00 6.75 ? 85 LEU A CG 1 ATOM 632 C CD1 . LEU A 1 85 ? 3.001 -18.532 20.283 1.00 7.49 ? 85 LEU A CD1 1 ATOM 633 C CD2 . LEU A 1 85 ? 3.095 -19.090 22.710 1.00 9.98 ? 85 LEU A CD2 1 ATOM 634 N N . GLY A 1 86 ? -2.401 -18.955 22.681 1.00 5.59 ? 86 GLY A N 1 ATOM 635 C CA . GLY A 1 86 ? -3.565 -18.265 23.239 1.00 6.23 ? 86 GLY A CA 1 ATOM 636 C C . GLY A 1 86 ? -4.002 -16.984 22.561 1.00 6.20 ? 86 GLY A C 1 ATOM 637 O O . GLY A 1 86 ? -4.918 -16.305 23.041 1.00 6.94 ? 86 GLY A O 1 ATOM 638 N N . ASP A 1 87 ? -3.351 -16.633 21.456 1.00 6.32 ? 87 ASP A N 1 ATOM 639 C CA . ASP A 1 87 ? -3.767 -15.464 20.691 1.00 6.32 ? 87 ASP A CA 1 ATOM 640 C C . ASP A 1 87 ? -4.727 -15.836 19.549 1.00 6.30 ? 87 ASP A C 1 ATOM 641 O O . ASP A 1 87 ? -4.485 -16.791 18.819 1.00 6.20 ? 87 ASP A O 1 ATOM 642 C CB . ASP A 1 87 ? -2.554 -14.720 20.134 1.00 5.64 ? 87 ASP A CB 1 ATOM 643 C CG . ASP A 1 87 ? -2.951 -13.417 19.473 1.00 5.92 ? 87 ASP A CG 1 ATOM 644 O OD1 . ASP A 1 87 ? -3.076 -12.410 20.195 1.00 5.75 ? 87 ASP A OD1 1 ATOM 645 O OD2 . ASP A 1 87 ? -3.179 -13.416 18.253 1.00 6.59 ? 87 ASP A OD2 1 ATOM 646 N N . ALA A 1 88 ? -5.799 -15.063 19.388 1.00 6.88 ? 88 ALA A N 1 ATOM 647 C CA . ALA A 1 88 ? -6.818 -15.352 18.387 1.00 7.08 ? 88 ALA A CA 1 ATOM 648 C C . ALA A 1 88 ? -6.374 -15.173 16.934 1.00 7.37 ? 88 ALA A C 1 ATOM 649 O O . ALA A 1 88 ? -6.861 -15.890 16.055 1.00 8.49 ? 88 ALA A O 1 ATOM 650 C CB . ALA A 1 88 ? -8.075 -14.536 18.663 1.00 7.51 ? 88 ALA A CB 1 ATOM 651 N N . GLN A 1 89 ? -5.456 -14.234 16.681 1.00 6.88 ? 89 GLN A N 1 ATOM 652 C CA . GLN A 1 89 ? -5.036 -13.923 15.304 1.00 7.03 ? 89 GLN A CA 1 ATOM 653 C C . GLN A 1 89 ? -3.748 -14.599 14.856 1.00 6.62 ? 89 GLN A C 1 ATOM 654 O O . GLN A 1 89 ? -3.579 -14.879 13.667 1.00 7.19 ? 89 GLN A O 1 ATOM 655 C CB . GLN A 1 89 ? -4.893 -12.414 15.101 1.00 7.78 ? 89 GLN A CB 1 ATOM 656 C CG . GLN A 1 89 ? -6.215 -11.708 14.867 1.00 9.38 ? 89 GLN A CG 1 ATOM 657 C CD . GLN A 1 89 ? -7.018 -11.529 16.135 1.00 10.11 ? 89 GLN A CD 1 ATOM 658 O OE1 . GLN A 1 89 ? -6.491 -11.101 17.163 1.00 9.98 ? 89 GLN A OE1 1 ATOM 659 N NE2 . GLN A 1 89 ? -8.300 -11.854 16.071 1.00 14.74 ? 89 GLN A NE2 1 ATOM 660 N N . PHE A 1 90 ? -2.831 -14.834 15.788 1.00 6.20 ? 90 PHE A N 1 ATOM 661 C CA . PHE A 1 90 ? -1.526 -15.383 15.443 1.00 5.65 ? 90 PHE A CA 1 ATOM 662 C C . PHE A 1 90 ? -1.587 -16.685 14.625 1.00 5.95 ? 90 PHE A C 1 ATOM 663 O O . PHE A 1 90 ? -0.838 -16.830 13.655 1.00 5.71 ? 90 PHE A O 1 ATOM 664 C CB . PHE A 1 90 ? -0.686 -15.547 16.719 1.00 6.14 ? 90 PHE A CB 1 ATOM 665 C CG . PHE A 1 90 ? 0.636 -16.194 16.499 1.00 5.34 ? 90 PHE A CG 1 ATOM 666 C CD1 . PHE A 1 90 ? 1.685 -15.487 15.918 1.00 4.68 ? 90 PHE A CD1 1 ATOM 667 C CD2 . PHE A 1 90 ? 0.845 -17.510 16.903 1.00 5.71 ? 90 PHE A CD2 1 ATOM 668 C CE1 . PHE A 1 90 ? 2.911 -16.089 15.727 1.00 5.98 ? 90 PHE A CE1 1 ATOM 669 C CE2 . PHE A 1 90 ? 2.082 -18.117 16.723 1.00 5.96 ? 90 PHE A CE2 1 ATOM 670 C CZ . PHE A 1 90 ? 3.112 -17.401 16.130 1.00 4.97 ? 90 PHE A CZ 1 ATOM 671 N N . PRO A 1 91 ? -2.486 -17.627 14.994 1.00 5.90 ? 91 PRO A N 1 ATOM 672 C CA . PRO A 1 91 ? -2.438 -18.903 14.283 1.00 5.90 ? 91 PRO A CA 1 ATOM 673 C C . PRO A 1 91 ? -2.695 -18.831 12.793 1.00 6.59 ? 91 PRO A C 1 ATOM 674 O O . PRO A 1 91 ? -2.051 -19.557 12.042 1.00 7.32 ? 91 PRO A O 1 ATOM 675 C CB . PRO A 1 91 ? -3.514 -19.739 14.984 1.00 5.81 ? 91 PRO A CB 1 ATOM 676 C CG . PRO A 1 91 ? -3.554 -19.164 16.377 1.00 6.35 ? 91 PRO A CG 1 ATOM 677 C CD . PRO A 1 91 ? -3.377 -17.691 16.168 1.00 6.02 ? 91 PRO A CD 1 ATOM 678 N N . ASP A 1 92 ? -3.632 -17.995 12.357 1.00 7.15 ? 92 ASP A N 1 ATOM 679 C CA . ASP A 1 92 ? -3.963 -17.948 10.931 1.00 8.09 ? 92 ASP A CA 1 ATOM 680 C C . ASP A 1 92 ? -3.050 -17.055 10.100 1.00 7.25 ? 92 ASP A C 1 ATOM 681 O O . ASP A 1 92 ? -3.075 -17.122 8.868 1.00 7.98 ? 92 ASP A O 1 ATOM 682 C CB . ASP A 1 92 ? -5.414 -17.535 10.722 1.00 9.00 ? 92 ASP A CB 1 ATOM 683 C CG . ASP A 1 92 ? -6.397 -18.624 11.099 1.00 12.68 ? 92 ASP A CG 1 ATOM 684 O OD1 . ASP A 1 92 ? -6.036 -19.822 11.057 1.00 17.04 ? 92 ASP A OD1 1 ATOM 685 O OD2 . ASP A 1 92 ? -7.538 -18.264 11.429 1.00 19.61 ? 92 ASP A OD2 1 ATOM 686 N N . GLY A 1 93 ? -2.250 -16.226 10.770 1.00 6.40 ? 93 GLY A N 1 ATOM 687 C CA . GLY A 1 93 ? -1.352 -15.299 10.085 1.00 5.83 ? 93 GLY A CA 1 ATOM 688 C C . GLY A 1 93 ? -2.044 -14.029 9.608 1.00 5.31 ? 93 GLY A C 1 ATOM 689 O O . GLY A 1 93 ? -3.279 -13.947 9.563 1.00 5.82 ? 93 GLY A O 1 ATOM 690 N N . GLN A 1 94 ? -1.258 -13.032 9.209 1.00 5.87 ? 94 GLN A N 1 ATOM 691 C CA . GLN A 1 94 ? -1.841 -11.740 8.884 1.00 5.70 ? 94 GLN A CA 1 ATOM 692 C C . GLN A 1 94 ? -2.518 -11.674 7.520 1.00 6.21 ? 94 GLN A C 1 ATOM 693 O O . GLN A 1 94 ? -3.494 -10.954 7.370 1.00 6.31 ? 94 GLN A O 1 ATOM 694 C CB . GLN A 1 94 ? -0.811 -10.624 9.024 1.00 6.04 ? 94 GLN A CB 1 ATOM 695 C CG . GLN A 1 94 ? -1.429 -9.234 9.089 1.00 5.45 ? 94 GLN A CG 1 ATOM 696 C CD . GLN A 1 94 ? -0.390 -8.155 8.983 1.00 4.52 ? 94 GLN A CD 1 ATOM 697 O OE1 . GLN A 1 94 ? -0.240 -7.511 7.940 1.00 5.39 ? 94 GLN A OE1 1 ATOM 698 N NE2 . GLN A 1 94 ? 0.375 -7.970 10.062 1.00 4.95 ? 94 GLN A NE2 1 ATOM 699 N N . PHE A 1 95 ? -2.035 -12.415 6.527 1.00 6.16 ? 95 PHE A N 1 ATOM 700 C CA . PHE A 1 95 ? -2.716 -12.376 5.217 1.00 6.82 ? 95 PHE A CA 1 ATOM 701 C C . PHE A 1 95 ? -4.186 -12.763 5.349 1.00 7.13 ? 95 PHE A C 1 ATOM 702 O O . PHE A 1 95 ? -5.056 -12.116 4.757 1.00 7.23 ? 95 PHE A O 1 ATOM 703 C CB . PHE A 1 95 ? -1.989 -13.275 4.214 1.00 7.06 ? 95 PHE A CB 1 ATOM 704 C CG . PHE A 1 95 ? -2.492 -13.163 2.789 1.00 8.87 ? 95 PHE A CG 1 ATOM 705 C CD1 . PHE A 1 95 ? -2.692 -11.920 2.188 1.00 9.72 ? 95 PHE A CD1 1 ATOM 706 C CD2 . PHE A 1 95 ? -2.725 -14.317 2.041 1.00 10.76 ? 95 PHE A CD2 1 ATOM 707 C CE1 . PHE A 1 95 ? -3.128 -11.823 0.855 1.00 10.49 ? 95 PHE A CE1 1 ATOM 708 C CE2 . PHE A 1 95 ? -3.147 -14.237 0.711 1.00 11.56 ? 95 PHE A CE2 1 ATOM 709 C CZ . PHE A 1 95 ? -3.352 -12.990 0.119 1.00 11.77 ? 95 PHE A CZ 1 ATOM 710 N N . ALA A 1 96 ? -4.452 -13.782 6.165 1.00 7.39 ? 96 ALA A N 1 ATOM 711 C CA . ALA A 1 96 ? -5.814 -14.235 6.429 1.00 7.75 ? 96 ALA A CA 1 ATOM 712 C C . ALA A 1 96 ? -6.659 -13.188 7.157 1.00 7.89 ? 96 ALA A C 1 ATOM 713 O O . ALA A 1 96 ? -7.887 -13.249 7.123 1.00 9.14 ? 96 ALA A O 1 ATOM 714 C CB . ALA A 1 96 ? -5.789 -15.528 7.233 1.00 8.56 ? 96 ALA A CB 1 ATOM 715 N N . ASP A 1 97 ? -5.985 -12.251 7.828 1.00 7.34 ? 97 ASP A N 1 ATOM 716 C CA . ASP A 1 97 ? -6.620 -11.181 8.608 1.00 7.51 ? 97 ASP A CA 1 ATOM 717 C C . ASP A 1 97 ? -6.667 -9.845 7.854 1.00 7.45 ? 97 ASP A C 1 ATOM 718 O O . ASP A 1 97 ? -7.293 -8.894 8.319 1.00 8.02 ? 97 ASP A O 1 ATOM 719 C CB . ASP A 1 97 ? -5.838 -10.982 9.918 1.00 7.65 ? 97 ASP A CB 1 ATOM 720 C CG . ASP A 1 97 ? -6.660 -10.321 11.024 1.00 8.06 ? 97 ASP A CG 1 ATOM 721 O OD1 . ASP A 1 97 ? -7.883 -10.558 11.104 1.00 7.87 ? 97 ASP A OD1 1 ATOM 722 O OD2 . ASP A 1 97 ? -6.065 -9.590 11.848 1.00 7.56 ? 97 ASP A OD2 1 ATOM 723 N N . ALA A 1 98 ? -6.018 -9.765 6.696 1.00 7.53 ? 98 ALA A N 1 ATOM 724 C CA . ALA A 1 98 ? -5.815 -8.484 6.018 1.00 7.58 ? 98 ALA A CA 1 ATOM 725 C C . ALA A 1 98 ? -7.120 -7.789 5.626 1.00 8.31 ? 98 ALA A C 1 ATOM 726 O O . ALA A 1 98 ? -7.257 -6.574 5.786 1.00 8.40 ? 98 ALA A O 1 ATOM 727 C CB . ALA A 1 98 ? -4.896 -8.651 4.815 1.00 8.05 ? 98 ALA A CB 1 ATOM 728 N N . ALA A 1 99 ? -8.078 -8.558 5.117 1.00 8.24 ? 99 ALA A N 1 ATOM 729 C CA . ALA A 1 99 ? -9.386 -8.003 4.776 1.00 8.82 ? 99 ALA A CA 1 ATOM 730 C C . ALA A 1 99 ? -10.059 -7.361 5.992 1.00 8.95 ? 99 ALA A C 1 ATOM 731 O O . ALA A 1 99 ? -10.652 -6.281 5.876 1.00 8.77 ? 99 ALA A O 1 ATOM 732 C CB . ALA A 1 99 ? -10.266 -9.070 4.173 1.00 9.08 ? 99 ALA A CB 1 ATOM 733 N N . ASN A 1 100 ? -9.971 -8.023 7.147 1.00 8.49 ? 100 ASN A N 1 ATOM 734 C CA . ASN A 1 100 ? -10.497 -7.475 8.406 1.00 8.85 ? 100 ASN A CA 1 ATOM 735 C C . ASN A 1 100 ? -9.889 -6.125 8.785 1.00 8.82 ? 100 ASN A C 1 ATOM 736 O O . ASN A 1 100 ? -10.575 -5.252 9.333 1.00 9.15 ? 100 ASN A O 1 ATOM 737 C CB . ASN A 1 100 ? -10.314 -8.459 9.563 1.00 9.37 ? 100 ASN A CB 1 ATOM 738 C CG . ASN A 1 100 ? -11.072 -9.750 9.361 1.00 11.19 ? 100 ASN A CG 1 ATOM 739 O OD1 . ASN A 1 100 ? -12.164 -9.762 8.778 1.00 13.59 ? 100 ASN A OD1 1 ATOM 740 N ND2 . ASN A 1 100 ? -10.494 -10.852 9.822 1.00 12.02 ? 100 ASN A ND2 1 ATOM 741 N N . LEU A 1 101 ? -8.606 -5.962 8.478 1.00 8.04 ? 101 LEU A N 1 ATOM 742 C CA . LEU A 1 101 ? -7.883 -4.717 8.736 1.00 7.58 ? 101 LEU A CA 1 ATOM 743 C C . LEU A 1 101 ? -8.296 -3.614 7.768 1.00 7.78 ? 101 LEU A C 1 ATOM 744 O O . LEU A 1 101 ? -8.012 -2.436 8.003 1.00 6.87 ? 101 LEU A O 1 ATOM 745 C CB . LEU A 1 101 ? -6.368 -4.949 8.647 1.00 7.30 ? 101 LEU A CB 1 ATOM 746 C CG . LEU A 1 101 ? -5.733 -5.963 9.605 1.00 7.89 ? 101 LEU A CG 1 ATOM 747 C CD1 . LEU A 1 101 ? -4.291 -6.179 9.231 1.00 8.28 ? 101 LEU A CD1 1 ATOM 748 C CD2 . LEU A 1 101 ? -5.867 -5.526 11.061 1.00 9.10 ? 101 LEU A CD2 1 ATOM 749 N N . GLY A 1 102 ? -8.952 -4.004 6.674 1.00 8.23 ? 102 GLY A N 1 ATOM 750 C CA . GLY A 1 102 ? -9.354 -3.061 5.621 1.00 8.37 ? 102 GLY A CA 1 ATOM 751 C C . GLY A 1 102 ? -8.425 -2.993 4.417 1.00 8.40 ? 102 GLY A C 1 ATOM 752 O O . GLY A 1 102 ? -8.587 -2.121 3.558 1.00 9.05 ? 102 GLY A O 1 ATOM 753 N N . ASP A 1 103 ? -7.455 -3.907 4.337 1.00 8.79 ? 103 ASP A N 1 ATOM 754 C CA . ASP A 1 103 ? -6.438 -3.882 3.286 1.00 9.45 ? 103 ASP A CA 1 ATOM 755 C C . ASP A 1 103 ? -7.035 -4.169 1.912 1.00 9.86 ? 103 ASP A C 1 ATOM 756 O O . ASP A 1 103 ? -7.950 -4.992 1.777 1.00 10.87 ? 103 ASP A O 1 ATOM 757 C CB . ASP A 1 103 ? -5.371 -4.957 3.531 1.00 9.03 ? 103 ASP A CB 1 ATOM 758 C CG . ASP A 1 103 ? -4.450 -4.649 4.695 1.00 8.74 ? 103 ASP A CG 1 ATOM 759 O OD1 . ASP A 1 103 ? -4.752 -3.763 5.519 1.00 8.17 ? 103 ASP A OD1 1 ATOM 760 O OD2 . ASP A 1 103 ? -3.416 -5.333 4.788 1.00 8.03 ? 103 ASP A OD2 1 ATOM 761 N N . ASP A 1 104 ? -6.511 -3.471 0.908 1.00 10.59 ? 104 ASP A N 1 ATOM 762 C CA . ASP A 1 104 ? -6.687 -3.846 -0.492 1.00 11.56 ? 104 ASP A CA 1 ATOM 763 C C . ASP A 1 104 ? -5.712 -4.997 -0.732 1.00 11.28 ? 104 ASP A C 1 ATOM 764 O O . ASP A 1 104 ? -4.502 -4.787 -0.825 1.00 10.82 ? 104 ASP A O 1 ATOM 765 C CB . ASP A 1 104 ? -6.371 -2.641 -1.389 1.00 12.02 ? 104 ASP A CB 1 ATOM 766 C CG . ASP A 1 104 ? -6.446 -2.961 -2.884 1.00 13.87 ? 104 ASP A CG 1 ATOM 767 O OD1 . ASP A 1 104 ? -6.671 -4.134 -3.259 1.00 15.33 ? 104 ASP A OD1 1 ATOM 768 O OD2 . ASP A 1 104 ? -6.265 -2.011 -3.684 1.00 18.05 ? 104 ASP A OD2 1 ATOM 769 N N . LEU A 1 105 ? -6.250 -6.213 -0.824 1.00 11.90 ? 105 LEU A N 1 ATOM 770 C CA . LEU A 1 105 ? -5.417 -7.413 -0.968 1.00 12.73 ? 105 LEU A CA 1 ATOM 771 C C . LEU A 1 105 ? -4.612 -7.445 -2.270 1.00 12.44 ? 105 LEU A C 1 ATOM 772 O O . LEU A 1 105 ? -3.579 -8.111 -2.354 1.00 12.43 ? 105 LEU A O 1 ATOM 773 C CB . LEU A 1 105 ? -6.266 -8.677 -0.857 1.00 13.72 ? 105 LEU A CB 1 ATOM 774 C CG . LEU A 1 105 ? -7.001 -8.912 0.463 1.00 15.86 ? 105 LEU A CG 1 ATOM 775 C CD1 . LEU A 1 105 ? -7.843 -10.190 0.417 1.00 18.34 ? 105 LEU A CD1 1 ATOM 776 C CD2 . LEU A 1 105 ? -6.013 -8.960 1.602 1.00 17.99 ? 105 LEU A CD2 1 ATOM 777 N N . SER A 1 106 ? -5.082 -6.706 -3.271 1.00 12.78 ? 106 SER A N 1 ATOM 778 C CA . SER A 1 106 ? -4.407 -6.669 -4.562 1.00 12.44 ? 106 SER A CA 1 ATOM 779 C C . SER A 1 106 ? -3.035 -5.985 -4.488 1.00 12.10 ? 106 SER A C 1 ATOM 780 O O . SER A 1 106 ? -2.210 -6.127 -5.398 1.00 12.62 ? 106 SER A O 1 ATOM 781 C CB . SER A 1 106 ? -5.309 -6.037 -5.637 1.00 12.91 ? 106 SER A CB 1 ATOM 782 O OG . SER A 1 106 ? -5.340 -4.622 -5.547 1.00 13.24 ? 106 SER A OG 1 ATOM 783 N N . GLN A 1 107 ? -2.794 -5.249 -3.398 1.00 11.18 ? 107 GLN A N 1 ATOM 784 C CA . GLN A 1 107 ? -1.529 -4.538 -3.202 1.00 10.88 ? 107 GLN A CA 1 ATOM 785 C C . GLN A 1 107 ? -0.501 -5.337 -2.404 1.00 9.83 ? 107 GLN A C 1 ATOM 786 O O . GLN A 1 107 ? 0.657 -4.951 -2.337 1.00 9.68 ? 107 GLN A O 1 ATOM 787 C CB . GLN A 1 107 ? -1.768 -3.177 -2.527 1.00 11.49 ? 107 GLN A CB 1 ATOM 788 C CG . GLN A 1 107 ? -2.554 -2.185 -3.381 1.00 15.01 ? 107 GLN A CG 1 ATOM 789 C CD . GLN A 1 107 ? -1.952 -2.003 -4.761 1.00 18.31 ? 107 GLN A CD 1 ATOM 790 O OE1 . GLN A 1 107 ? -0.761 -1.728 -4.902 1.00 21.84 ? 107 GLN A OE1 1 ATOM 791 N NE2 . GLN A 1 107 ? -2.773 -2.179 -5.792 1.00 21.96 ? 107 GLN A NE2 1 ATOM 792 N N . TRP A 1 108 ? -0.937 -6.440 -1.805 1.00 9.94 ? 108 TRP A N 1 ATOM 793 C CA . TRP A 1 108 ? -0.024 -7.339 -1.105 1.00 9.52 ? 108 TRP A CA 1 ATOM 794 C C . TRP A 1 108 ? 0.901 -8.032 -2.091 1.00 9.77 ? 108 TRP A C 1 ATOM 795 O O . TRP A 1 108 ? 0.508 -8.354 -3.219 1.00 10.64 ? 108 TRP A O 1 ATOM 796 C CB . TRP A 1 108 ? -0.808 -8.387 -0.309 1.00 9.46 ? 108 TRP A CB 1 ATOM 797 C CG . TRP A 1 108 ? -1.213 -7.938 1.072 1.00 8.65 ? 108 TRP A CG 1 ATOM 798 C CD1 . TRP A 1 108 ? -1.963 -6.838 1.395 1.00 8.27 ? 108 TRP A CD1 1 ATOM 799 C CD2 . TRP A 1 108 ? -0.885 -8.580 2.314 1.00 7.10 ? 108 TRP A CD2 1 ATOM 800 N NE1 . TRP A 1 108 ? -2.126 -6.763 2.761 1.00 7.55 ? 108 TRP A NE1 1 ATOM 801 C CE2 . TRP A 1 108 ? -1.471 -7.810 3.349 1.00 7.79 ? 108 TRP A CE2 1 ATOM 802 C CE3 . TRP A 1 108 ? -0.141 -9.721 2.655 1.00 7.24 ? 108 TRP A CE3 1 ATOM 803 C CZ2 . TRP A 1 108 ? -1.351 -8.153 4.704 1.00 7.20 ? 108 TRP A CZ2 1 ATOM 804 C CZ3 . TRP A 1 108 ? -0.024 -10.066 4.009 1.00 6.70 ? 108 TRP A CZ3 1 ATOM 805 C CH2 . TRP A 1 108 ? -0.625 -9.277 5.018 1.00 6.76 ? 108 TRP A CH2 1 ATOM 806 N N . VAL A 1 109 ? 2.129 -8.265 -1.658 1.00 9.71 ? 109 VAL A N 1 ATOM 807 C CA . VAL A 1 109 ? 3.121 -8.905 -2.515 1.00 10.79 ? 109 VAL A CA 1 ATOM 808 C C . VAL A 1 109 ? 3.797 -10.078 -1.826 1.00 10.32 ? 109 VAL A C 1 ATOM 809 O O . VAL A 1 109 ? 3.880 -10.144 -0.593 1.00 9.82 ? 109 VAL A O 1 ATOM 810 C CB . VAL A 1 109 ? 4.171 -7.888 -3.045 1.00 11.59 ? 109 VAL A CB 1 ATOM 811 C CG1 . VAL A 1 109 ? 4.871 -7.213 -1.935 1.00 12.31 ? 109 VAL A CG1 1 ATOM 812 C CG2 . VAL A 1 109 ? 5.198 -8.544 -3.949 1.00 14.27 ? 109 VAL A CG2 1 ATOM 813 N N . ALA A 1 110 ? 4.281 -11.006 -2.648 1.00 10.09 ? 110 ALA A N 1 ATOM 814 C CA . ALA A 1 110 ? 5.068 -12.128 -2.169 1.00 10.19 ? 110 ALA A CA 1 ATOM 815 C C . ALA A 1 110 ? 6.286 -11.627 -1.395 1.00 10.23 ? 110 ALA A C 1 ATOM 816 O O . ALA A 1 110 ? 6.879 -10.600 -1.740 1.00 10.87 ? 110 ALA A O 1 ATOM 817 C CB . ALA A 1 110 ? 5.506 -12.994 -3.341 1.00 10.36 ? 110 ALA A CB 1 ATOM 818 N N . PRO A 1 111 ? 6.696 -12.368 -0.360 1.00 10.22 ? 111 PRO A N 1 ATOM 819 C CA . PRO A 1 111 ? 6.201 -13.660 0.093 1.00 9.49 ? 111 PRO A CA 1 ATOM 820 C C . PRO A 1 111 ? 5.164 -13.557 1.213 1.00 8.93 ? 111 PRO A C 1 ATOM 821 O O . PRO A 1 111 ? 4.968 -14.528 1.950 1.00 9.52 ? 111 PRO A O 1 ATOM 822 C CB . PRO A 1 111 ? 7.470 -14.305 0.637 1.00 10.16 ? 111 PRO A CB 1 ATOM 823 C CG . PRO A 1 111 ? 8.151 -13.159 1.313 1.00 10.50 ? 111 PRO A CG 1 ATOM 824 C CD . PRO A 1 111 ? 7.886 -11.957 0.405 1.00 10.12 ? 111 PRO A CD 1 ATOM 825 N N . PHE A 1 112 ? 4.506 -12.409 1.351 1.00 7.77 ? 112 PHE A N 1 ATOM 826 C CA . PHE A 1 112 ? 3.538 -12.235 2.438 1.00 6.70 ? 112 PHE A CA 1 ATOM 827 C C . PHE A 1 112 ? 2.150 -12.798 2.139 1.00 7.03 ? 112 PHE A C 1 ATOM 828 O O . PHE A 1 112 ? 1.333 -12.941 3.041 1.00 6.69 ? 112 PHE A O 1 ATOM 829 C CB . PHE A 1 112 ? 3.437 -10.758 2.843 1.00 6.73 ? 112 PHE A CB 1 ATOM 830 C CG . PHE A 1 112 ? 4.694 -10.209 3.438 1.00 5.73 ? 112 PHE A CG 1 ATOM 831 C CD1 . PHE A 1 112 ? 4.989 -10.428 4.788 1.00 7.08 ? 112 PHE A CD1 1 ATOM 832 C CD2 . PHE A 1 112 ? 5.574 -9.460 2.665 1.00 7.48 ? 112 PHE A CD2 1 ATOM 833 C CE1 . PHE A 1 112 ? 6.162 -9.928 5.351 1.00 6.80 ? 112 PHE A CE1 1 ATOM 834 C CE2 . PHE A 1 112 ? 6.754 -8.948 3.228 1.00 8.37 ? 112 PHE A CE2 1 ATOM 835 C CZ . PHE A 1 112 ? 7.044 -9.181 4.574 1.00 7.76 ? 112 PHE A CZ 1 ATOM 836 N N . THR A 1 113 ? 1.915 -13.147 0.873 1.00 6.61 ? 113 THR A N 1 ATOM 837 C CA . THR A 1 113 ? 0.607 -13.598 0.390 1.00 7.56 ? 113 THR A CA 1 ATOM 838 C C . THR A 1 113 ? 0.357 -15.086 0.669 1.00 7.36 ? 113 THR A C 1 ATOM 839 O O . THR A 1 113 ? 0.144 -15.902 -0.243 1.00 6.83 ? 113 THR A O 1 ATOM 840 C CB . THR A 1 113 ? 0.465 -13.281 -1.103 1.00 7.62 ? 113 THR A CB 1 ATOM 841 O OG1 . THR A 1 113 ? 1.678 -13.653 -1.769 1.00 9.08 ? 113 THR A OG1 1 ATOM 842 C CG2 . THR A 1 113 ? 0.220 -11.783 -1.294 1.00 8.66 ? 113 THR A CG2 1 ATOM 843 N N . GLY A 1 114 ? 0.392 -15.422 1.952 1.00 7.29 ? 114 GLY A N 1 ATOM 844 C CA . GLY A 1 114 ? 0.196 -16.788 2.412 1.00 7.51 ? 114 GLY A CA 1 ATOM 845 C C . GLY A 1 114 ? 0.886 -16.899 3.749 1.00 7.50 ? 114 GLY A C 1 ATOM 846 O O . GLY A 1 114 ? 1.069 -15.890 4.435 1.00 7.01 ? 114 GLY A O 1 ATOM 847 N N . THR A 1 115 ? 1.253 -18.120 4.122 1.00 7.09 ? 115 THR A N 1 ATOM 848 C CA . THR A 1 115 ? 1.958 -18.363 5.381 1.00 6.97 ? 115 THR A CA 1 ATOM 849 C C . THR A 1 115 ? 3.264 -19.134 5.165 1.00 7.42 ? 115 THR A C 1 ATOM 850 O O . THR A 1 115 ? 3.659 -19.957 5.993 1.00 7.12 ? 115 THR A O 1 ATOM 851 C CB . THR A 1 115 ? 1.069 -19.076 6.420 1.00 6.80 ? 115 THR A CB 1 ATOM 852 O OG1 . THR A 1 115 ? 0.533 -20.286 5.861 1.00 7.67 ? 115 THR A OG1 1 ATOM 853 C CG2 . THR A 1 115 ? -0.085 -18.160 6.875 1.00 6.27 ? 115 THR A CG2 1 ATOM 854 N N . THR A 1 116 ? 3.936 -18.861 4.048 1.00 8.05 ? 116 THR A N 1 ATOM 855 C CA . THR A 1 116 ? 5.242 -19.477 3.792 1.00 8.52 ? 116 THR A CA 1 ATOM 856 C C . THR A 1 116 ? 6.318 -18.946 4.744 1.00 7.72 ? 116 THR A C 1 ATOM 857 O O . THR A 1 116 ? 7.245 -19.663 5.078 1.00 8.21 ? 116 THR A O 1 ATOM 858 C CB . THR A 1 116 ? 5.693 -19.308 2.328 1.00 10.00 ? 116 THR A CB 1 ATOM 859 O OG1 . THR A 1 116 ? 5.877 -17.934 2.034 1.00 13.24 ? 116 THR A OG1 1 ATOM 860 C CG2 . THR A 1 116 ? 4.659 -19.855 1.366 1.00 10.37 ? 116 THR A CG2 1 ATOM 861 N N . ILE A 1 117 ? 6.192 -17.692 5.187 1.00 6.89 ? 117 ILE A N 1 ATOM 862 C CA . ILE A 1 117 ? 7.155 -17.126 6.128 1.00 6.59 ? 117 ILE A CA 1 ATOM 863 C C . ILE A 1 117 ? 7.071 -17.843 7.476 1.00 6.08 ? 117 ILE A C 1 ATOM 864 O O . ILE A 1 117 ? 5.999 -17.944 8.064 1.00 5.97 ? 117 ILE A O 1 ATOM 865 C CB . ILE A 1 117 ? 6.922 -15.617 6.333 1.00 5.84 ? 117 ILE A CB 1 ATOM 866 C CG1 . ILE A 1 117 ? 7.228 -14.862 5.036 1.00 6.48 ? 117 ILE A CG1 1 ATOM 867 C CG2 . ILE A 1 117 ? 7.810 -15.079 7.486 1.00 7.46 ? 117 ILE A CG2 1 ATOM 868 C CD1 . ILE A 1 117 ? 6.740 -13.416 5.042 1.00 6.76 ? 117 ILE A CD1 1 ATOM 869 N N . HIS A 1 118 ? 8.226 -18.301 7.965 1.00 5.36 ? 118 HIS A N 1 ATOM 870 C CA . HIS A 1 118 ? 8.330 -19.006 9.246 1.00 5.44 ? 118 HIS A CA 1 ATOM 871 C C . HIS A 1 118 ? 8.843 -18.137 10.373 1.00 5.57 ? 118 HIS A C 1 ATOM 872 O O . HIS A 1 118 ? 8.613 -18.435 11.547 1.00 5.65 ? 118 HIS A O 1 ATOM 873 C CB . HIS A 1 118 ? 9.224 -20.233 9.106 1.00 5.66 ? 118 HIS A CB 1 ATOM 874 C CG . HIS A 1 118 ? 8.568 -21.349 8.365 1.00 5.49 ? 118 HIS A CG 1 ATOM 875 N ND1 . HIS A 1 118 ? 9.262 -22.451 7.913 1.00 8.30 ? 118 HIS A ND1 1 ATOM 876 C CD2 . HIS A 1 118 ? 7.283 -21.520 7.974 1.00 6.96 ? 118 HIS A CD2 1 ATOM 877 C CE1 . HIS A 1 118 ? 8.424 -23.261 7.289 1.00 7.04 ? 118 HIS A CE1 1 ATOM 878 N NE2 . HIS A 1 118 ? 7.219 -22.722 7.314 1.00 7.80 ? 118 HIS A NE2 1 ATOM 879 N N . GLY A 1 119 ? 9.544 -17.072 10.019 1.00 5.74 ? 119 GLY A N 1 ATOM 880 C CA . GLY A 1 119 ? 10.110 -16.206 11.039 1.00 6.15 ? 119 GLY A CA 1 ATOM 881 C C . GLY A 1 119 ? 10.831 -15.020 10.455 1.00 5.74 ? 119 GLY A C 1 ATOM 882 O O . GLY A 1 119 ? 10.923 -14.865 9.233 1.00 6.13 ? 119 GLY A O 1 ATOM 883 N N . VAL A 1 120 ? 11.336 -14.183 11.349 1.00 5.46 ? 120 VAL A N 1 ATOM 884 C CA . VAL A 1 120 ? 12.057 -12.978 10.969 1.00 5.46 ? 120 VAL A CA 1 ATOM 885 C C . VAL A 1 120 ? 13.216 -12.735 11.932 1.00 5.12 ? 120 VAL A C 1 ATOM 886 O O . VAL A 1 120 ? 13.039 -12.785 13.151 1.00 5.22 ? 120 VAL A O 1 ATOM 887 C CB . VAL A 1 120 ? 11.083 -11.746 10.883 1.00 5.79 ? 120 VAL A CB 1 ATOM 888 C CG1 . VAL A 1 120 ? 10.431 -11.412 12.225 1.00 6.12 ? 120 VAL A CG1 1 ATOM 889 C CG2 . VAL A 1 120 ? 11.804 -10.532 10.292 1.00 6.47 ? 120 VAL A CG2 1 ATOM 890 N N . PHE A 1 121 ? 14.402 -12.505 11.372 1.00 5.69 ? 121 PHE A N 1 ATOM 891 C CA . PHE A 1 121 ? 15.506 -11.942 12.138 1.00 6.16 ? 121 PHE A CA 1 ATOM 892 C C . PHE A 1 121 ? 15.442 -10.436 11.917 1.00 6.78 ? 121 PHE A C 1 ATOM 893 O O . PHE A 1 121 ? 15.384 -9.975 10.773 1.00 7.46 ? 121 PHE A O 1 ATOM 894 C CB . PHE A 1 121 ? 16.865 -12.423 11.608 1.00 6.61 ? 121 PHE A CB 1 ATOM 895 C CG . PHE A 1 121 ? 17.154 -13.880 11.838 1.00 6.83 ? 121 PHE A CG 1 ATOM 896 C CD1 . PHE A 1 121 ? 17.854 -14.300 12.965 1.00 7.71 ? 121 PHE A CD1 1 ATOM 897 C CD2 . PHE A 1 121 ? 16.763 -14.833 10.900 1.00 6.44 ? 121 PHE A CD2 1 ATOM 898 C CE1 . PHE A 1 121 ? 18.148 -15.660 13.164 1.00 7.66 ? 121 PHE A CE1 1 ATOM 899 C CE2 . PHE A 1 121 ? 17.056 -16.195 11.087 1.00 7.42 ? 121 PHE A CE2 1 ATOM 900 C CZ . PHE A 1 121 ? 17.748 -16.605 12.228 1.00 7.29 ? 121 PHE A CZ 1 ATOM 901 N N . LEU A 1 122 ? 15.450 -9.676 13.004 1.00 7.20 ? 122 LEU A N 1 ATOM 902 C CA . LEU A 1 122 ? 15.609 -8.229 12.910 1.00 7.47 ? 122 LEU A CA 1 ATOM 903 C C . LEU A 1 122 ? 17.003 -7.850 13.386 1.00 7.32 ? 122 LEU A C 1 ATOM 904 O O . LEU A 1 122 ? 17.432 -8.224 14.483 1.00 7.25 ? 122 LEU A O 1 ATOM 905 C CB . LEU A 1 122 ? 14.503 -7.454 13.655 1.00 8.90 ? 122 LEU A CB 1 ATOM 906 C CG . LEU A 1 122 ? 13.985 -7.885 15.017 1.00 10.88 ? 122 LEU A CG 1 ATOM 907 C CD1 . LEU A 1 122 ? 13.364 -6.684 15.693 1.00 12.55 ? 122 LEU A CD1 1 ATOM 908 C CD2 . LEU A 1 122 ? 12.960 -9.016 14.926 1.00 10.96 ? 122 LEU A CD2 1 ATOM 909 N N . ILE A 1 123 ? 17.706 -7.133 12.517 1.00 6.53 ? 123 ILE A N 1 ATOM 910 C CA . ILE A 1 123 ? 19.081 -6.724 12.754 1.00 7.20 ? 123 ILE A CA 1 ATOM 911 C C . ILE A 1 123 ? 19.092 -5.207 12.757 1.00 7.29 ? 123 ILE A C 1 ATOM 912 O O . ILE A 1 123 ? 18.626 -4.579 11.808 1.00 7.87 ? 123 ILE A O 1 ATOM 913 C CB . ILE A 1 123 ? 20.026 -7.255 11.649 1.00 6.35 ? 123 ILE A CB 1 ATOM 914 C CG1 . ILE A 1 123 ? 19.832 -8.766 11.420 1.00 7.83 ? 123 ILE A CG1 1 ATOM 915 C CG2 . ILE A 1 123 ? 21.491 -6.913 11.972 1.00 7.01 ? 123 ILE A CG2 1 ATOM 916 C CD1 . ILE A 1 123 ? 18.974 -9.114 10.196 1.00 9.42 ? 123 ILE A CD1 1 ATOM 917 N N . GLY A 1 124 ? 19.600 -4.623 13.837 1.00 7.15 ? 124 GLY A N 1 ATOM 918 C CA . GLY A 1 124 ? 19.708 -3.169 13.945 1.00 8.05 ? 124 GLY A CA 1 ATOM 919 C C . GLY A 1 124 ? 21.147 -2.744 14.098 1.00 8.11 ? 124 GLY A C 1 ATOM 920 O O . GLY A 1 124 ? 21.891 -3.348 14.859 1.00 7.49 ? 124 GLY A O 1 ATOM 921 N N . SER A 1 125 ? 21.547 -1.712 13.371 1.00 7.80 ? 125 SER A N 1 ATOM 922 C CA . SER A 1 125 ? 22.920 -1.204 13.482 1.00 8.83 ? 125 SER A CA 1 ATOM 923 C C . SER A 1 125 ? 22.946 0.229 12.993 1.00 8.92 ? 125 SER A C 1 ATOM 924 O O . SER A 1 125 ? 22.090 0.633 12.225 1.00 9.22 ? 125 SER A O 1 ATOM 925 C CB . SER A 1 125 ? 23.869 -2.060 12.650 1.00 8.67 ? 125 SER A CB 1 ATOM 926 O OG . SER A 1 125 ? 25.224 -1.677 12.890 1.00 10.20 ? 125 SER A OG 1 ATOM 927 N N . ASP A 1 126 ? 23.946 1.003 13.399 1.00 9.57 ? 126 ASP A N 1 ATOM 928 C CA . ASP A 1 126 ? 23.984 2.399 12.976 1.00 10.29 ? 126 ASP A CA 1 ATOM 929 C C . ASP A 1 126 ? 24.671 2.612 11.629 1.00 10.81 ? 126 ASP A C 1 ATOM 930 O O . ASP A 1 126 ? 24.742 3.748 11.138 1.00 11.06 ? 126 ASP A O 1 ATOM 931 C CB . ASP A 1 126 ? 24.604 3.274 14.075 1.00 10.92 ? 126 ASP A CB 1 ATOM 932 C CG . ASP A 1 126 ? 23.662 3.497 15.249 1.00 12.25 ? 126 ASP A CG 1 ATOM 933 O OD1 . ASP A 1 126 ? 22.430 3.569 15.045 1.00 12.66 ? 126 ASP A OD1 1 ATOM 934 O OD2 . ASP A 1 126 ? 24.145 3.631 16.389 1.00 15.65 ? 126 ASP A OD2 1 ATOM 935 N N . GLN A 1 127 ? 25.130 1.515 11.023 1.00 11.02 ? 127 GLN A N 1 ATOM 936 C CA . GLN A 1 127 ? 25.918 1.553 9.808 1.00 12.29 ? 127 GLN A CA 1 ATOM 937 C C . GLN A 1 127 ? 25.644 0.350 8.894 1.00 12.30 ? 127 GLN A C 1 ATOM 938 O O . GLN A 1 127 ? 25.528 -0.769 9.377 1.00 11.40 ? 127 GLN A O 1 ATOM 939 C CB . GLN A 1 127 ? 27.378 1.517 10.230 1.00 13.33 ? 127 GLN A CB 1 ATOM 940 C CG . GLN A 1 127 ? 28.321 2.030 9.248 1.00 14.02 ? 127 GLN A CG 1 ATOM 941 C CD . GLN A 1 127 ? 29.628 2.312 9.915 1.00 10.63 ? 127 GLN A CD 1 ATOM 942 O OE1 . GLN A 1 127 ? 29.673 3.034 10.906 1.00 11.07 ? 127 GLN A OE1 1 ATOM 943 N NE2 . GLN A 1 127 ? 30.699 1.720 9.405 1.00 11.95 ? 127 GLN A NE2 1 ATOM 944 N N . ASP A 1 128 ? 25.596 0.582 7.583 1.00 12.83 ? 128 ASP A N 1 ATOM 945 C CA . ASP A 1 128 ? 25.352 -0.487 6.601 1.00 14.19 ? 128 ASP A CA 1 ATOM 946 C C . ASP A 1 128 ? 26.343 -1.650 6.702 1.00 13.85 ? 128 ASP A C 1 ATOM 947 O O . ASP A 1 128 ? 25.955 -2.813 6.590 1.00 13.93 ? 128 ASP A O 1 ATOM 948 C CB . ASP A 1 128 ? 25.413 0.059 5.168 1.00 15.03 ? 128 ASP A CB 1 ATOM 949 C CG . ASP A 1 128 ? 24.274 1.006 4.837 1.00 18.48 ? 128 ASP A CG 1 ATOM 950 O OD1 . ASP A 1 128 ? 23.186 0.892 5.435 1.00 21.91 ? 128 ASP A OD1 1 ATOM 951 O OD2 . ASP A 1 128 ? 24.479 1.862 3.948 1.00 21.76 ? 128 ASP A OD2 1 ATOM 952 N N . ASP A 1 129 ? 27.622 -1.322 6.875 1.00 14.06 ? 129 ASP A N 1 ATOM 953 C CA . ASP A 1 129 ? 28.680 -2.327 6.951 1.00 13.85 ? 129 ASP A CA 1 ATOM 954 C C . ASP A 1 129 ? 28.384 -3.383 7.997 1.00 12.85 ? 129 ASP A C 1 ATOM 955 O O . ASP A 1 129 ? 28.433 -4.581 7.706 1.00 12.26 ? 129 ASP A O 1 ATOM 956 C CB . ASP A 1 129 ? 30.019 -1.655 7.260 1.00 14.48 ? 129 ASP A CB 1 ATOM 957 C CG . ASP A 1 129 ? 30.278 -0.476 6.371 1.00 16.58 ? 129 ASP A CG 1 ATOM 958 O OD1 . ASP A 1 129 ? 31.055 -0.633 5.408 1.00 19.44 ? 129 ASP A OD1 1 ATOM 959 O OD2 . ASP A 1 129 ? 29.670 0.594 6.608 1.00 17.91 ? 129 ASP A OD2 1 ATOM 960 N N . PHE A 1 130 ? 28.073 -2.927 9.208 1.00 12.08 ? 130 PHE A N 1 ATOM 961 C CA . PHE A 1 130 ? 27.843 -3.835 10.325 1.00 11.66 ? 130 PHE A CA 1 ATOM 962 C C . PHE A 1 130 ? 26.526 -4.571 10.153 1.00 11.76 ? 130 PHE A C 1 ATOM 963 O O . PHE A 1 130 ? 26.425 -5.760 10.460 1.00 11.37 ? 130 PHE A O 1 ATOM 964 C CB . PHE A 1 130 ? 27.900 -3.089 11.655 1.00 11.61 ? 130 PHE A CB 1 ATOM 965 C CG . PHE A 1 130 ? 29.168 -2.297 11.857 1.00 11.75 ? 130 PHE A CG 1 ATOM 966 C CD1 . PHE A 1 130 ? 30.416 -2.824 11.497 1.00 13.64 ? 130 PHE A CD1 1 ATOM 967 C CD2 . PHE A 1 130 ? 29.121 -1.037 12.433 1.00 11.34 ? 130 PHE A CD2 1 ATOM 968 C CE1 . PHE A 1 130 ? 31.585 -2.083 11.695 1.00 14.07 ? 130 PHE A CE1 1 ATOM 969 C CE2 . PHE A 1 130 ? 30.286 -0.298 12.639 1.00 11.88 ? 130 PHE A CE2 1 ATOM 970 C CZ . PHE A 1 130 ? 31.513 -0.820 12.263 1.00 12.75 ? 130 PHE A CZ 1 ATOM 971 N N . LEU A 1 131 ? 25.524 -3.862 9.643 1.00 11.88 ? 131 LEU A N 1 ATOM 972 C CA . LEU A 1 131 ? 24.255 -4.494 9.314 1.00 11.98 ? 131 LEU A CA 1 ATOM 973 C C . LEU A 1 131 ? 24.493 -5.675 8.377 1.00 12.21 ? 131 LEU A C 1 ATOM 974 O O . LEU A 1 131 ? 24.014 -6.786 8.632 1.00 12.47 ? 131 LEU A O 1 ATOM 975 C CB . LEU A 1 131 ? 23.321 -3.468 8.666 1.00 12.10 ? 131 LEU A CB 1 ATOM 976 C CG . LEU A 1 131 ? 21.847 -3.841 8.524 1.00 11.76 ? 131 LEU A CG 1 ATOM 977 C CD1 . LEU A 1 131 ? 21.142 -3.757 9.873 1.00 11.46 ? 131 LEU A CD1 1 ATOM 978 C CD2 . LEU A 1 131 ? 21.164 -2.938 7.500 1.00 12.28 ? 131 LEU A CD2 1 ATOM 979 N N . ASP A 1 132 ? 25.237 -5.430 7.296 1.00 12.29 ? 132 ASP A N 1 ATOM 980 C CA . ASP A 1 132 ? 25.531 -6.451 6.289 1.00 12.55 ? 132 ASP A CA 1 ATOM 981 C C . ASP A 1 132 ? 26.334 -7.616 6.867 1.00 12.63 ? 132 ASP A C 1 ATOM 982 O O . ASP A 1 132 ? 26.053 -8.771 6.562 1.00 12.84 ? 132 ASP A O 1 ATOM 983 C CB . ASP A 1 132 ? 26.255 -5.838 5.072 1.00 13.08 ? 132 ASP A CB 1 ATOM 984 C CG . ASP A 1 132 ? 25.352 -4.935 4.242 1.00 15.07 ? 132 ASP A CG 1 ATOM 985 O OD1 . ASP A 1 132 ? 24.124 -4.934 4.471 1.00 16.03 ? 132 ASP A OD1 1 ATOM 986 O OD2 . ASP A 1 132 ? 25.870 -4.210 3.356 1.00 17.07 ? 132 ASP A OD2 1 ATOM 987 N N . GLN A 1 133 ? 27.314 -7.313 7.719 1.00 12.46 ? 133 GLN A N 1 ATOM 988 C CA . GLN A 1 133 ? 28.139 -8.353 8.339 1.00 12.93 ? 133 GLN A CA 1 ATOM 989 C C . GLN A 1 133 ? 27.335 -9.277 9.252 1.00 12.02 ? 133 GLN A C 1 ATOM 990 O O . GLN A 1 133 ? 27.530 -10.492 9.240 1.00 11.87 ? 133 GLN A O 1 ATOM 991 C CB . GLN A 1 133 ? 29.293 -7.744 9.122 1.00 13.36 ? 133 GLN A CB 1 ATOM 992 C CG . GLN A 1 133 ? 30.367 -7.123 8.256 1.00 17.00 ? 133 GLN A CG 1 ATOM 993 C CD . GLN A 1 133 ? 31.429 -6.429 9.081 1.00 20.16 ? 133 GLN A CD 1 ATOM 994 O OE1 . GLN A 1 133 ? 31.442 -6.526 10.313 1.00 22.97 ? 133 GLN A OE1 1 ATOM 995 N NE2 . GLN A 1 133 ? 32.336 -5.731 8.408 1.00 22.94 ? 133 GLN A NE2 1 ATOM 996 N N . PHE A 1 134 ? 26.430 -8.703 10.040 1.00 11.57 ? 134 PHE A N 1 ATOM 997 C CA . PHE A 1 134 ? 25.586 -9.507 10.910 1.00 11.54 ? 134 PHE A CA 1 ATOM 998 C C . PHE A 1 134 ? 24.540 -10.275 10.112 1.00 12.03 ? 134 PHE A C 1 ATOM 999 O O . PHE A 1 134 ? 24.142 -11.364 10.513 1.00 12.38 ? 134 PHE A O 1 ATOM 1000 C CB . PHE A 1 134 ? 24.959 -8.639 11.998 1.00 11.17 ? 134 PHE A CB 1 ATOM 1001 C CG . PHE A 1 134 ? 25.869 -8.397 13.174 1.00 11.08 ? 134 PHE A CG 1 ATOM 1002 C CD1 . PHE A 1 134 ? 27.002 -7.579 13.058 1.00 10.66 ? 134 PHE A CD1 1 ATOM 1003 C CD2 . PHE A 1 134 ? 25.592 -8.987 14.406 1.00 12.48 ? 134 PHE A CD2 1 ATOM 1004 C CE1 . PHE A 1 134 ? 27.846 -7.363 14.160 1.00 11.36 ? 134 PHE A CE1 1 ATOM 1005 C CE2 . PHE A 1 134 ? 26.427 -8.775 15.508 1.00 12.28 ? 134 PHE A CE2 1 ATOM 1006 C CZ . PHE A 1 134 ? 27.559 -7.960 15.378 1.00 11.88 ? 134 PHE A CZ 1 ATOM 1007 N N . THR A 1 135 ? 24.118 -9.715 8.978 1.00 11.94 ? 135 THR A N 1 ATOM 1008 C CA . THR A 1 135 ? 23.230 -10.431 8.057 1.00 13.48 ? 135 THR A CA 1 ATOM 1009 C C . THR A 1 135 ? 23.946 -11.648 7.461 1.00 13.86 ? 135 THR A C 1 ATOM 1010 O O . THR A 1 135 ? 23.403 -12.756 7.466 1.00 14.42 ? 135 THR A O 1 ATOM 1011 C CB . THR A 1 135 ? 22.680 -9.505 6.955 1.00 12.64 ? 135 THR A CB 1 ATOM 1012 O OG1 . THR A 1 135 ? 22.022 -8.389 7.558 1.00 14.03 ? 135 THR A OG1 1 ATOM 1013 C CG2 . THR A 1 135 ? 21.675 -10.249 6.065 1.00 14.78 ? 135 THR A CG2 1 ATOM 1014 N N . ASP A 1 136 ? 25.178 -11.448 6.989 1.00 14.50 ? 136 ASP A N 1 ATOM 1015 C CA . ASP A 1 136 ? 25.994 -12.539 6.455 1.00 14.97 ? 136 ASP A CA 1 ATOM 1016 C C . ASP A 1 136 ? 26.271 -13.610 7.506 1.00 14.63 ? 136 ASP A C 1 ATOM 1017 O O . ASP A 1 136 ? 26.338 -14.795 7.187 1.00 15.16 ? 136 ASP A O 1 ATOM 1018 C CB . ASP A 1 136 ? 27.309 -12.001 5.883 1.00 15.71 ? 136 ASP A CB 1 ATOM 1019 C CG . ASP A 1 136 ? 27.112 -11.195 4.606 1.00 17.69 ? 136 ASP A CG 1 ATOM 1020 O OD1 . ASP A 1 136 ? 25.979 -11.148 4.068 1.00 20.79 ? 136 ASP A OD1 1 ATOM 1021 O OD2 . ASP A 1 136 ? 28.106 -10.597 4.142 1.00 21.66 ? 136 ASP A OD2 1 ATOM 1022 N N . ASP A 1 137 ? 26.419 -13.183 8.758 1.00 14.19 ? 137 ASP A N 1 ATOM 1023 C CA . ASP A 1 137 ? 26.648 -14.097 9.870 1.00 13.49 ? 137 ASP A CA 1 ATOM 1024 C C . ASP A 1 137 ? 25.452 -15.044 10.070 1.00 13.47 ? 137 ASP A C 1 ATOM 1025 O O . ASP A 1 137 ? 25.635 -16.216 10.385 1.00 13.36 ? 137 ASP A O 1 ATOM 1026 C CB . ASP A 1 137 ? 26.957 -13.294 11.140 1.00 13.46 ? 137 ASP A CB 1 ATOM 1027 C CG . ASP A 1 137 ? 27.118 -14.167 12.370 1.00 13.47 ? 137 ASP A CG 1 ATOM 1028 O OD1 . ASP A 1 137 ? 27.987 -15.069 12.371 1.00 15.11 ? 137 ASP A OD1 1 ATOM 1029 O OD2 . ASP A 1 137 ? 26.392 -13.929 13.355 1.00 13.86 ? 137 ASP A OD2 1 ATOM 1030 N N . ILE A 1 138 ? 24.238 -14.532 9.873 1.00 13.48 ? 138 ILE A N 1 ATOM 1031 C CA . ILE A 1 138 ? 23.040 -15.384 9.900 1.00 13.79 ? 138 ILE A CA 1 ATOM 1032 C C . ILE A 1 138 ? 23.091 -16.412 8.763 1.00 14.48 ? 138 ILE A C 1 ATOM 1033 O O . ILE A 1 138 ? 22.897 -17.614 8.997 1.00 14.25 ? 138 ILE A O 1 ATOM 1034 C CB . ILE A 1 138 ? 21.743 -14.552 9.832 1.00 13.62 ? 138 ILE A CB 1 ATOM 1035 C CG1 . ILE A 1 138 ? 21.569 -13.743 11.119 1.00 12.81 ? 138 ILE A CG1 1 ATOM 1036 C CG2 . ILE A 1 138 ? 20.521 -15.452 9.586 1.00 13.83 ? 138 ILE A CG2 1 ATOM 1037 C CD1 . ILE A 1 138 ? 20.583 -12.582 10.992 1.00 12.21 ? 138 ILE A CD1 1 ATOM 1038 N N . SER A 1 139 ? 23.363 -15.939 7.544 1.00 15.51 ? 139 SER A N 1 ATOM 1039 C CA . SER A 1 139 ? 23.456 -16.816 6.369 1.00 16.71 ? 139 SER A CA 1 ATOM 1040 C C . SER A 1 139 ? 24.477 -17.926 6.577 1.00 16.97 ? 139 SER A C 1 ATOM 1041 O O . SER A 1 139 ? 24.220 -19.087 6.261 1.00 17.49 ? 139 SER A O 1 ATOM 1042 C CB . SER A 1 139 ? 23.821 -16.018 5.116 1.00 16.82 ? 139 SER A CB 1 ATOM 1043 O OG . SER A 1 139 ? 22.860 -15.023 4.841 1.00 18.84 ? 139 SER A OG 1 ATOM 1044 N N . SER A 1 140 ? 25.634 -17.558 7.116 1.00 16.85 ? 140 SER A N 1 ATOM 1045 C CA . SER A 1 140 ? 26.722 -18.497 7.361 1.00 17.57 ? 140 SER A CA 1 ATOM 1046 C C . SER A 1 140 ? 26.428 -19.491 8.492 1.00 16.75 ? 140 SER A C 1 ATOM 1047 O O . SER A 1 140 ? 26.754 -20.678 8.382 1.00 17.38 ? 140 SER A O 1 ATOM 1048 C CB . SER A 1 140 ? 28.015 -17.730 7.643 1.00 18.00 ? 140 SER A CB 1 ATOM 1049 O OG . SER A 1 140 ? 29.058 -18.616 7.993 1.00 21.54 ? 140 SER A OG 1 ATOM 1050 N N . THR A 1 141 ? 25.818 -19.004 9.572 1.00 15.21 ? 141 THR A N 1 ATOM 1051 C CA . THR A 1 141 ? 25.508 -19.832 10.735 1.00 14.25 ? 141 THR A CA 1 ATOM 1052 C C . THR A 1 141 ? 24.419 -20.863 10.431 1.00 13.30 ? 141 THR A C 1 ATOM 1053 O O . THR A 1 141 ? 24.543 -22.043 10.792 1.00 13.60 ? 141 THR A O 1 ATOM 1054 C CB . THR A 1 141 ? 25.072 -18.968 11.941 1.00 14.33 ? 141 THR A CB 1 ATOM 1055 O OG1 . THR A 1 141 ? 26.160 -18.118 12.335 1.00 15.01 ? 141 THR A OG1 1 ATOM 1056 C CG2 . THR A 1 141 ? 24.665 -19.837 13.119 1.00 14.04 ? 141 THR A CG2 1 ATOM 1057 N N . PHE A 1 142 ? 23.361 -20.414 9.758 1.00 12.27 ? 142 PHE A N 1 ATOM 1058 C CA . PHE A 1 142 ? 22.205 -21.277 9.524 1.00 11.54 ? 142 PHE A CA 1 ATOM 1059 C C . PHE A 1 142 ? 22.284 -22.068 8.229 1.00 11.93 ? 142 PHE A C 1 ATOM 1060 O O . PHE A 1 142 ? 21.656 -23.117 8.111 1.00 12.13 ? 142 PHE A O 1 ATOM 1061 C CB . PHE A 1 142 ? 20.900 -20.473 9.622 1.00 11.06 ? 142 PHE A CB 1 ATOM 1062 C CG . PHE A 1 142 ? 20.591 -20.033 11.015 1.00 9.87 ? 142 PHE A CG 1 ATOM 1063 C CD1 . PHE A 1 142 ? 19.876 -20.860 11.870 1.00 9.61 ? 142 PHE A CD1 1 ATOM 1064 C CD2 . PHE A 1 142 ? 21.064 -18.816 11.501 1.00 9.47 ? 142 PHE A CD2 1 ATOM 1065 C CE1 . PHE A 1 142 ? 19.605 -20.469 13.176 1.00 8.64 ? 142 PHE A CE1 1 ATOM 1066 C CE2 . PHE A 1 142 ? 20.803 -18.415 12.809 1.00 9.30 ? 142 PHE A CE2 1 ATOM 1067 C CZ . PHE A 1 142 ? 20.068 -19.245 13.652 1.00 8.38 ? 142 PHE A CZ 1 ATOM 1068 N N . GLY A 1 143 ? 23.054 -21.565 7.268 1.00 12.46 ? 143 GLY A N 1 ATOM 1069 C CA . GLY A 1 143 ? 23.262 -22.250 5.994 1.00 12.70 ? 143 GLY A CA 1 ATOM 1070 C C . GLY A 1 143 ? 21.972 -22.682 5.333 1.00 13.16 ? 143 GLY A C 1 ATOM 1071 O O . GLY A 1 143 ? 21.004 -21.913 5.265 1.00 13.52 ? 143 GLY A O 1 ATOM 1072 N N . SER A 1 144 ? 21.963 -23.928 4.872 1.00 13.40 ? 144 SER A N 1 ATOM 1073 C CA . SER A 1 144 ? 20.848 -24.467 4.111 1.00 13.48 ? 144 SER A CA 1 ATOM 1074 C C . SER A 1 144 ? 19.651 -24.842 4.986 1.00 12.61 ? 144 SER A C 1 ATOM 1075 O O . SER A 1 144 ? 18.607 -25.231 4.458 1.00 12.49 ? 144 SER A O 1 ATOM 1076 C CB . SER A 1 144 ? 21.301 -25.679 3.282 1.00 13.61 ? 144 SER A CB 1 ATOM 1077 O OG . SER A 1 144 ? 21.803 -26.701 4.122 1.00 17.20 ? 144 SER A OG 1 ATOM 1078 N N . SER A 1 145 ? 19.798 -24.723 6.309 1.00 12.07 ? 145 SER A N 1 ATOM 1079 C CA . SER A 1 145 ? 18.690 -25.014 7.236 1.00 11.37 ? 145 SER A CA 1 ATOM 1080 C C . SER A 1 145 ? 17.526 -24.028 7.086 1.00 11.08 ? 145 SER A C 1 ATOM 1081 O O . SER A 1 145 ? 16.410 -24.318 7.510 1.00 10.77 ? 145 SER A O 1 ATOM 1082 C CB . SER A 1 145 ? 19.161 -25.076 8.695 1.00 11.78 ? 145 SER A CB 1 ATOM 1083 O OG . SER A 1 145 ? 19.342 -23.787 9.258 1.00 11.85 ? 145 SER A OG 1 ATOM 1084 N N . ILE A 1 146 ? 17.806 -22.871 6.486 1.00 10.85 ? 146 ILE A N 1 ATOM 1085 C CA . ILE A 1 146 ? 16.780 -21.874 6.169 1.00 10.52 ? 146 ILE A CA 1 ATOM 1086 C C . ILE A 1 146 ? 16.915 -21.390 4.730 1.00 10.85 ? 146 ILE A C 1 ATOM 1087 O O . ILE A 1 146 ? 17.976 -21.539 4.106 1.00 11.56 ? 146 ILE A O 1 ATOM 1088 C CB . ILE A 1 146 ? 16.810 -20.638 7.121 1.00 10.58 ? 146 ILE A CB 1 ATOM 1089 C CG1 . ILE A 1 146 ? 18.072 -19.786 6.902 1.00 10.44 ? 146 ILE A CG1 1 ATOM 1090 C CG2 . ILE A 1 146 ? 16.613 -21.063 8.569 1.00 9.67 ? 146 ILE A CG2 1 ATOM 1091 C CD1 . ILE A 1 146 ? 18.116 -18.486 7.734 1.00 12.45 ? 146 ILE A CD1 1 ATOM 1092 N N . THR A 1 147 ? 15.826 -20.837 4.208 1.00 10.63 ? 147 THR A N 1 ATOM 1093 C CA . THR A 1 147 ? 15.851 -20.080 2.963 1.00 11.14 ? 147 THR A CA 1 ATOM 1094 C C . THR A 1 147 ? 15.326 -18.686 3.267 1.00 10.86 ? 147 THR A C 1 ATOM 1095 O O . THR A 1 147 ? 14.261 -18.543 3.871 1.00 10.46 ? 147 THR A O 1 ATOM 1096 C CB . THR A 1 147 ? 14.970 -20.743 1.890 1.00 11.48 ? 147 THR A CB 1 ATOM 1097 O OG1 . THR A 1 147 ? 15.545 -21.999 1.527 1.00 13.47 ? 147 THR A OG1 1 ATOM 1098 C CG2 . THR A 1 147 ? 14.850 -19.866 0.636 1.00 11.90 ? 147 THR A CG2 1 ATOM 1099 N N . GLN A 1 148 ? 16.084 -17.665 2.881 1.00 11.39 ? 148 GLN A N 1 ATOM 1100 C CA . GLN A 1 148 ? 15.601 -16.293 2.984 1.00 12.39 ? 148 GLN A CA 1 ATOM 1101 C C . GLN A 1 148 ? 14.570 -16.104 1.884 1.00 12.45 ? 148 GLN A C 1 ATOM 1102 O O . GLN A 1 148 ? 14.867 -16.323 0.708 1.00 13.31 ? 148 GLN A O 1 ATOM 1103 C CB . GLN A 1 148 ? 16.738 -15.276 2.841 1.00 12.72 ? 148 GLN A CB 1 ATOM 1104 C CG . GLN A 1 148 ? 16.221 -13.849 2.596 1.00 15.90 ? 148 GLN A CG 1 ATOM 1105 C CD . GLN A 1 148 ? 17.335 -12.845 2.374 1.00 18.58 ? 148 GLN A CD 1 ATOM 1106 O OE1 . GLN A 1 148 ? 18.233 -12.696 3.207 1.00 20.91 ? 148 GLN A OE1 1 ATOM 1107 N NE2 . GLN A 1 148 ? 17.278 -12.145 1.251 1.00 20.23 ? 148 GLN A NE2 1 ATOM 1108 N N . VAL A 1 149 ? 13.353 -15.732 2.263 1.00 11.81 ? 149 VAL A N 1 ATOM 1109 C CA . VAL A 1 149 ? 12.299 -15.505 1.279 1.00 11.68 ? 149 VAL A CA 1 ATOM 1110 C C . VAL A 1 149 ? 12.115 -14.016 0.961 1.00 11.85 ? 149 VAL A C 1 ATOM 1111 O O . VAL A 1 149 ? 11.510 -13.670 -0.053 1.00 12.79 ? 149 VAL A O 1 ATOM 1112 C CB . VAL A 1 149 ? 10.948 -16.182 1.660 1.00 11.36 ? 149 VAL A CB 1 ATOM 1113 C CG1 . VAL A 1 149 ? 11.076 -17.708 1.596 1.00 11.79 ? 149 VAL A CG1 1 ATOM 1114 C CG2 . VAL A 1 149 ? 10.450 -15.731 3.035 1.00 12.21 ? 149 VAL A CG2 1 ATOM 1115 N N . GLN A 1 150 ? 12.632 -13.151 1.833 1.00 11.45 ? 150 GLN A N 1 ATOM 1116 C CA . GLN A 1 150 ? 12.625 -11.698 1.619 1.00 10.77 ? 150 GLN A CA 1 ATOM 1117 C C . GLN A 1 150 ? 13.531 -11.025 2.639 1.00 10.29 ? 150 GLN A C 1 ATOM 1118 O O . GLN A 1 150 ? 13.671 -11.503 3.762 1.00 9.75 ? 150 GLN A O 1 ATOM 1119 C CB . GLN A 1 150 ? 11.201 -11.130 1.751 1.00 11.24 ? 150 GLN A CB 1 ATOM 1120 C CG . GLN A 1 150 ? 11.058 -9.616 1.489 1.00 10.84 ? 150 GLN A CG 1 ATOM 1121 C CD . GLN A 1 150 ? 11.466 -9.206 0.079 1.00 12.46 ? 150 GLN A CD 1 ATOM 1122 O OE1 . GLN A 1 150 ? 12.645 -9.208 -0.268 1.00 13.53 ? 150 GLN A OE1 1 ATOM 1123 N NE2 . GLN A 1 150 ? 10.484 -8.837 -0.733 1.00 14.82 ? 150 GLN A NE2 1 ATOM 1124 N N . ALA A 1 151 ? 14.135 -9.911 2.249 1.00 10.07 ? 151 ALA A N 1 ATOM 1125 C CA . ALA A 1 151 ? 14.807 -9.029 3.185 1.00 10.33 ? 151 ALA A CA 1 ATOM 1126 C C . ALA A 1 151 ? 14.322 -7.611 2.917 1.00 10.34 ? 151 ALA A C 1 ATOM 1127 O O . ALA A 1 151 ? 14.384 -7.132 1.775 1.00 11.31 ? 151 ALA A O 1 ATOM 1128 C CB . ALA A 1 151 ? 16.310 -9.124 3.030 1.00 10.84 ? 151 ALA A CB 1 ATOM 1129 N N . LEU A 1 152 ? 13.799 -6.955 3.953 1.00 9.79 ? 152 LEU A N 1 ATOM 1130 C CA . LEU A 1 152 ? 13.407 -5.552 3.857 1.00 9.93 ? 152 LEU A CA 1 ATOM 1131 C C . LEU A 1 152 ? 14.338 -4.736 4.736 1.00 10.07 ? 152 LEU A C 1 ATOM 1132 O O . LEU A 1 152 ? 14.523 -5.052 5.912 1.00 10.13 ? 152 LEU A O 1 ATOM 1133 C CB . LEU A 1 152 ? 11.944 -5.355 4.271 1.00 9.45 ? 152 LEU A CB 1 ATOM 1134 C CG . LEU A 1 152 ? 10.873 -6.127 3.485 1.00 9.39 ? 152 LEU A CG 1 ATOM 1135 C CD1 . LEU A 1 152 ? 9.484 -5.907 4.077 1.00 10.24 ? 152 LEU A CD1 1 ATOM 1136 C CD2 . LEU A 1 152 ? 10.866 -5.775 1.988 1.00 10.09 ? 152 LEU A CD2 1 ATOM 1137 N N . SER A 1 153 ? 14.937 -3.703 4.154 1.00 10.20 ? 153 SER A N 1 ATOM 1138 C CA . SER A 1 153 ? 15.923 -2.878 4.843 1.00 10.99 ? 153 SER A CA 1 ATOM 1139 C C . SER A 1 153 ? 15.418 -1.447 4.956 1.00 10.28 ? 153 SER A C 1 ATOM 1140 O O . SER A 1 153 ? 14.845 -0.895 4.011 1.00 10.93 ? 153 SER A O 1 ATOM 1141 C CB . SER A 1 153 ? 17.257 -2.892 4.096 1.00 11.73 ? 153 SER A CB 1 ATOM 1142 O OG . SER A 1 153 ? 17.781 -4.211 4.049 1.00 15.14 ? 153 SER A OG 1 ATOM 1143 N N . GLY A 1 154 ? 15.619 -0.858 6.129 1.00 9.64 ? 154 GLY A N 1 ATOM 1144 C CA . GLY A 1 154 ? 15.217 0.517 6.371 1.00 9.42 ? 154 GLY A CA 1 ATOM 1145 C C . GLY A 1 154 ? 16.369 1.371 6.859 1.00 8.79 ? 154 GLY A C 1 ATOM 1146 O O . GLY A 1 154 ? 17.421 0.865 7.250 1.00 8.42 ? 154 GLY A O 1 ATOM 1147 N N . SER A 1 155 ? 16.147 2.680 6.851 1.00 8.62 ? 155 SER A N 1 ATOM 1148 C CA . SER A 1 155 ? 17.131 3.630 7.352 1.00 9.00 ? 155 SER A CA 1 ATOM 1149 C C . SER A 1 155 ? 16.449 4.884 7.840 1.00 8.72 ? 155 SER A C 1 ATOM 1150 O O . SER A 1 155 ? 15.483 5.372 7.221 1.00 9.43 ? 155 SER A O 1 ATOM 1151 C CB . SER A 1 155 ? 18.158 4.012 6.286 1.00 9.29 ? 155 SER A CB 1 ATOM 1152 O OG . SER A 1 155 ? 18.998 5.052 6.770 1.00 13.65 ? 155 SER A OG 1 ATOM 1153 N N . ALA A 1 156 ? 16.974 5.409 8.939 1.00 8.68 ? 156 ALA A N 1 ATOM 1154 C CA . ALA A 1 156 ? 16.607 6.734 9.396 1.00 9.16 ? 156 ALA A CA 1 ATOM 1155 C C . ALA A 1 156 ? 16.840 7.744 8.276 1.00 9.45 ? 156 ALA A C 1 ATOM 1156 O O . ALA A 1 156 ? 17.754 7.607 7.456 1.00 10.01 ? 156 ALA A O 1 ATOM 1157 C CB . ALA A 1 156 ? 17.399 7.125 10.639 1.00 9.28 ? 156 ALA A CB 1 ATOM 1158 N N . ARG A 1 157 ? 15.994 8.763 8.241 1.00 9.80 ? 157 ARG A N 1 ATOM 1159 C CA . ARG A 1 157 ? 16.124 9.818 7.251 1.00 10.32 ? 157 ARG A CA 1 ATOM 1160 C C . ARG A 1 157 ? 17.327 10.713 7.597 1.00 11.45 ? 157 ARG A C 1 ATOM 1161 O O . ARG A 1 157 ? 17.757 10.753 8.749 1.00 11.43 ? 157 ARG A O 1 ATOM 1162 C CB . ARG A 1 157 ? 14.794 10.573 7.133 1.00 9.85 ? 157 ARG A CB 1 ATOM 1163 C CG . ARG A 1 157 ? 13.683 9.633 6.626 1.00 9.65 ? 157 ARG A CG 1 ATOM 1164 C CD . ARG A 1 157 ? 12.370 10.348 6.280 1.00 9.67 ? 157 ARG A CD 1 ATOM 1165 N NE . ARG A 1 157 ? 12.628 11.515 5.444 1.00 9.46 ? 157 ARG A NE 1 ATOM 1166 C CZ . ARG A 1 157 ? 12.209 12.749 5.702 1.00 10.70 ? 157 ARG A CZ 1 ATOM 1167 N NH1 . ARG A 1 157 ? 11.432 13.010 6.751 1.00 11.15 ? 157 ARG A NH1 1 ATOM 1168 N NH2 . ARG A 1 157 ? 12.562 13.734 4.889 1.00 13.70 ? 157 ARG A NH2 1 ATOM 1169 N N . PRO A 1 158 ? 17.903 11.392 6.588 1.00 13.08 ? 158 PRO A N 1 ATOM 1170 C CA . PRO A 1 158 ? 19.165 12.115 6.820 1.00 14.16 ? 158 PRO A CA 1 ATOM 1171 C C . PRO A 1 158 ? 19.065 13.432 7.599 1.00 14.85 ? 158 PRO A C 1 ATOM 1172 O O . PRO A 1 158 ? 18.025 14.098 7.598 1.00 14.51 ? 158 PRO A O 1 ATOM 1173 C CB . PRO A 1 158 ? 19.683 12.408 5.407 1.00 14.32 ? 158 PRO A CB 1 ATOM 1174 C CG . PRO A 1 158 ? 18.770 11.742 4.456 1.00 14.72 ? 158 PRO A CG 1 ATOM 1175 C CD . PRO A 1 158 ? 17.505 11.393 5.171 1.00 13.06 ? 158 PRO A CD 1 ATOM 1176 N N . GLY A 1 159 ? 20.171 13.807 8.239 1.00 15.99 ? 159 GLY A N 1 ATOM 1177 C CA . GLY A 1 159 ? 20.294 15.132 8.845 1.00 16.96 ? 159 GLY A CA 1 ATOM 1178 C C . GLY A 1 159 ? 19.248 15.410 9.905 1.00 17.31 ? 159 GLY A C 1 ATOM 1179 O O . GLY A 1 159 ? 19.002 14.570 10.772 1.00 18.23 ? 159 GLY A O 1 ATOM 1180 N N . ASP A 1 160 ? 18.615 16.581 9.823 1.00 17.89 ? 160 ASP A N 1 ATOM 1181 C CA . ASP A 1 160 ? 17.627 16.993 10.820 1.00 18.06 ? 160 ASP A CA 1 ATOM 1182 C C . ASP A 1 160 ? 16.288 16.264 10.676 1.00 17.01 ? 160 ASP A C 1 ATOM 1183 O O . ASP A 1 160 ? 15.361 16.485 11.464 1.00 17.65 ? 160 ASP A O 1 ATOM 1184 C CB . ASP A 1 160 ? 17.426 18.518 10.806 1.00 18.82 ? 160 ASP A CB 1 ATOM 1185 C CG . ASP A 1 160 ? 16.963 19.050 9.454 1.00 21.21 ? 160 ASP A CG 1 ATOM 1186 O OD1 . ASP A 1 160 ? 16.300 18.316 8.686 1.00 24.37 ? 160 ASP A OD1 1 ATOM 1187 O OD2 . ASP A 1 160 ? 17.260 20.230 9.159 1.00 25.52 ? 160 ASP A OD2 1 ATOM 1188 N N . GLN A 1 161 ? 16.200 15.402 9.665 1.00 15.75 ? 161 GLN A N 1 ATOM 1189 C CA . GLN A 1 161 ? 15.034 14.544 9.476 1.00 14.31 ? 161 GLN A CA 1 ATOM 1190 C C . GLN A 1 161 ? 15.210 13.183 10.149 1.00 13.68 ? 161 GLN A C 1 ATOM 1191 O O . GLN A 1 161 ? 14.311 12.341 10.087 1.00 12.25 ? 161 GLN A O 1 ATOM 1192 C CB . GLN A 1 161 ? 14.699 14.388 7.986 1.00 14.56 ? 161 GLN A CB 1 ATOM 1193 C CG . GLN A 1 161 ? 14.151 15.659 7.334 1.00 15.50 ? 161 GLN A CG 1 ATOM 1194 C CD . GLN A 1 161 ? 12.892 16.165 8.021 1.00 16.79 ? 161 GLN A CD 1 ATOM 1195 O OE1 . GLN A 1 161 ? 11.843 15.524 7.968 1.00 15.31 ? 161 GLN A OE1 1 ATOM 1196 N NE2 . GLN A 1 161 ? 12.995 17.318 8.678 1.00 18.94 ? 161 GLN A NE2 1 ATOM 1197 N N . ALA A 1 162 ? 16.355 12.971 10.799 1.00 13.32 ? 162 ALA A N 1 ATOM 1198 C CA . ALA A 1 162 ? 16.577 11.745 11.563 1.00 13.32 ? 162 ALA A CA 1 ATOM 1199 C C . ALA A 1 162 ? 15.510 11.607 12.643 1.00 12.89 ? 162 ALA A C 1 ATOM 1200 O O . ALA A 1 162 ? 15.295 12.523 13.446 1.00 13.73 ? 162 ALA A O 1 ATOM 1201 C CB . ALA A 1 162 ? 17.977 11.724 12.179 1.00 14.17 ? 162 ALA A CB 1 ATOM 1202 N N . GLY A 1 163 ? 14.836 10.463 12.637 1.00 11.91 ? 163 GLY A N 1 ATOM 1203 C CA . GLY A 1 163 ? 13.737 10.205 13.562 1.00 10.71 ? 163 GLY A CA 1 ATOM 1204 C C . GLY A 1 163 ? 12.376 10.567 12.996 1.00 10.07 ? 163 GLY A C 1 ATOM 1205 O O . GLY A 1 163 ? 11.360 10.239 13.596 1.00 10.15 ? 163 GLY A O 1 ATOM 1206 N N . HIS A 1 164 ? 12.357 11.258 11.862 1.00 8.77 ? 164 HIS A N 1 ATOM 1207 C CA . HIS A 1 164 ? 11.103 11.558 11.160 1.00 7.30 ? 164 HIS A CA 1 ATOM 1208 C C . HIS A 1 164 ? 10.786 10.476 10.147 1.00 6.66 ? 164 HIS A C 1 ATOM 1209 O O . HIS A 1 164 ? 11.681 9.882 9.549 1.00 7.07 ? 164 HIS A O 1 ATOM 1210 C CB . HIS A 1 164 ? 11.184 12.902 10.424 1.00 7.75 ? 164 HIS A CB 1 ATOM 1211 C CG . HIS A 1 164 ? 11.436 14.076 11.321 1.00 6.94 ? 164 HIS A CG 1 ATOM 1212 N ND1 . HIS A 1 164 ? 10.610 15.181 11.349 1.00 6.81 ? 164 HIS A ND1 1 ATOM 1213 C CD2 . HIS A 1 164 ? 12.421 14.323 12.220 1.00 6.66 ? 164 HIS A CD2 1 ATOM 1214 C CE1 . HIS A 1 164 ? 11.072 16.051 12.230 1.00 7.64 ? 164 HIS A CE1 1 ATOM 1215 N NE2 . HIS A 1 164 ? 12.170 15.556 12.770 1.00 8.57 ? 164 HIS A NE2 1 ATOM 1216 N N . GLU A 1 165 ? 9.501 10.220 9.949 1.00 5.62 ? 165 GLU A N 1 ATOM 1217 C CA . GLU A 1 165 ? 9.069 9.325 8.889 1.00 5.94 ? 165 GLU A CA 1 ATOM 1218 C C . GLU A 1 165 ? 8.945 10.124 7.573 1.00 5.89 ? 165 GLU A C 1 ATOM 1219 O O . GLU A 1 165 ? 9.181 11.340 7.563 1.00 5.65 ? 165 GLU A O 1 ATOM 1220 C CB . GLU A 1 165 ? 7.801 8.576 9.313 1.00 5.70 ? 165 GLU A CB 1 ATOM 1221 C CG . GLU A 1 165 ? 6.619 9.461 9.727 1.00 6.05 ? 165 GLU A CG 1 ATOM 1222 C CD . GLU A 1 165 ? 6.032 10.231 8.556 1.00 6.44 ? 165 GLU A CD 1 ATOM 1223 O OE1 . GLU A 1 165 ? 5.895 11.466 8.675 1.00 6.19 ? 165 GLU A OE1 1 ATOM 1224 O OE2 . GLU A 1 165 ? 5.713 9.598 7.525 1.00 6.10 ? 165 GLU A OE2 1 ATOM 1225 N N . HIS A 1 166 ? 8.633 9.446 6.472 1.00 5.80 ? 166 HIS A N 1 ATOM 1226 C CA . HIS A 1 166 ? 8.710 10.060 5.135 1.00 5.74 ? 166 HIS A CA 1 ATOM 1227 C C . HIS A 1 166 ? 7.758 11.219 4.818 1.00 6.45 ? 166 HIS A C 1 ATOM 1228 O O . HIS A 1 166 ? 8.080 12.047 3.957 1.00 5.98 ? 166 HIS A O 1 ATOM 1229 C CB . HIS A 1 166 ? 8.695 8.991 4.037 1.00 5.77 ? 166 HIS A CB 1 ATOM 1230 C CG . HIS A 1 166 ? 10.052 8.446 3.744 1.00 6.44 ? 166 HIS A CG 1 ATOM 1231 N ND1 . HIS A 1 166 ? 11.036 9.202 3.142 1.00 8.12 ? 166 HIS A ND1 1 ATOM 1232 C CD2 . HIS A 1 166 ? 10.604 7.235 3.997 1.00 7.22 ? 166 HIS A CD2 1 ATOM 1233 C CE1 . HIS A 1 166 ? 12.132 8.472 3.020 1.00 9.47 ? 166 HIS A CE1 1 ATOM 1234 N NE2 . HIS A 1 166 ? 11.901 7.277 3.538 1.00 9.32 ? 166 HIS A NE2 1 ATOM 1235 N N . PHE A 1 167 ? 6.616 11.298 5.501 1.00 6.00 ? 167 PHE A N 1 ATOM 1236 C CA . PHE A 1 167 ? 5.761 12.485 5.367 1.00 6.31 ? 167 PHE A CA 1 ATOM 1237 C C . PHE A 1 167 ? 6.382 13.719 6.027 1.00 6.16 ? 167 PHE A C 1 ATOM 1238 O O . PHE A 1 167 ? 5.923 14.844 5.797 1.00 7.18 ? 167 PHE A O 1 ATOM 1239 C CB . PHE A 1 167 ? 4.334 12.256 5.909 1.00 5.88 ? 167 PHE A CB 1 ATOM 1240 C CG . PHE A 1 167 ? 3.538 11.206 5.168 1.00 5.49 ? 167 PHE A CG 1 ATOM 1241 C CD1 . PHE A 1 167 ? 3.553 11.134 3.775 1.00 6.04 ? 167 PHE A CD1 1 ATOM 1242 C CD2 . PHE A 1 167 ? 2.755 10.298 5.880 1.00 5.59 ? 167 PHE A CD2 1 ATOM 1243 C CE1 . PHE A 1 167 ? 2.816 10.174 3.105 1.00 6.11 ? 167 PHE A CE1 1 ATOM 1244 C CE2 . PHE A 1 167 ? 2.023 9.328 5.216 1.00 5.78 ? 167 PHE A CE2 1 ATOM 1245 C CZ . PHE A 1 167 ? 2.049 9.265 3.826 1.00 5.47 ? 167 PHE A CZ 1 ATOM 1246 N N . GLY A 1 168 ? 7.412 13.498 6.849 1.00 5.68 ? 168 GLY A N 1 ATOM 1247 C CA . GLY A 1 168 ? 8.134 14.571 7.527 1.00 5.72 ? 168 GLY A CA 1 ATOM 1248 C C . GLY A 1 168 ? 7.934 14.686 9.030 1.00 6.07 ? 168 GLY A C 1 ATOM 1249 O O . GLY A 1 168 ? 8.492 15.591 9.644 1.00 6.15 ? 168 GLY A O 1 ATOM 1250 N N . PHE A 1 169 ? 7.172 13.769 9.634 1.00 5.27 ? 169 PHE A N 1 ATOM 1251 C CA . PHE A 1 169 ? 6.762 13.911 11.040 1.00 5.47 ? 169 PHE A CA 1 ATOM 1252 C C . PHE A 1 169 ? 7.654 13.124 11.990 1.00 5.80 ? 169 PHE A C 1 ATOM 1253 O O . PHE A 1 169 ? 7.964 11.953 11.737 1.00 6.04 ? 169 PHE A O 1 ATOM 1254 C CB . PHE A 1 169 ? 5.283 13.497 11.228 1.00 5.46 ? 169 PHE A CB 1 ATOM 1255 C CG . PHE A 1 169 ? 4.308 14.428 10.548 1.00 4.70 ? 169 PHE A CG 1 ATOM 1256 C CD1 . PHE A 1 169 ? 3.608 15.386 11.273 1.00 4.89 ? 169 PHE A CD1 1 ATOM 1257 C CD2 . PHE A 1 169 ? 4.150 14.388 9.162 1.00 4.44 ? 169 PHE A CD2 1 ATOM 1258 C CE1 . PHE A 1 169 ? 2.748 16.273 10.618 1.00 4.93 ? 169 PHE A CE1 1 ATOM 1259 C CE2 . PHE A 1 169 ? 3.294 15.257 8.508 1.00 5.55 ? 169 PHE A CE2 1 ATOM 1260 C CZ . PHE A 1 169 ? 2.598 16.205 9.232 1.00 5.77 ? 169 PHE A CZ 1 ATOM 1261 N N . LEU A 1 170 ? 8.077 13.776 13.073 1.00 6.35 ? 170 LEU A N 1 ATOM 1262 C CA . LEU A 1 170 ? 8.840 13.103 14.116 1.00 7.25 ? 170 LEU A CA 1 ATOM 1263 C C . LEU A 1 170 ? 8.012 11.941 14.669 1.00 7.86 ? 170 LEU A C 1 ATOM 1264 O O . LEU A 1 170 ? 6.845 12.111 15.034 1.00 7.03 ? 170 LEU A O 1 ATOM 1265 C CB . LEU A 1 170 ? 9.216 14.078 15.241 1.00 7.47 ? 170 LEU A CB 1 ATOM 1266 C CG . LEU A 1 170 ? 10.178 13.533 16.300 1.00 7.89 ? 170 LEU A CG 1 ATOM 1267 C CD1 . LEU A 1 170 ? 11.558 13.237 15.696 1.00 10.39 ? 170 LEU A CD1 1 ATOM 1268 C CD2 . LEU A 1 170 ? 10.326 14.519 17.457 1.00 8.53 ? 170 LEU A CD2 1 ATOM 1269 N N . ASP A 1 171 ? 8.625 10.766 14.701 1.00 9.29 ? 171 ASP A N 1 ATOM 1270 C CA . ASP A 1 171 ? 7.982 9.556 15.176 1.00 11.56 ? 171 ASP A CA 1 ATOM 1271 C C . ASP A 1 171 ? 8.750 9.077 16.421 1.00 12.01 ? 171 ASP A C 1 ATOM 1272 O O . ASP A 1 171 ? 9.841 9.579 16.720 1.00 13.57 ? 171 ASP A O 1 ATOM 1273 C CB . ASP A 1 171 ? 7.961 8.521 14.041 1.00 12.07 ? 171 ASP A CB 1 ATOM 1274 C CG . ASP A 1 171 ? 7.222 7.246 14.409 1.00 15.05 ? 171 ASP A CG 1 ATOM 1275 O OD1 . ASP A 1 171 ? 6.336 7.292 15.298 1.00 17.50 ? 171 ASP A OD1 1 ATOM 1276 O OD2 . ASP A 1 171 ? 7.534 6.197 13.794 1.00 18.56 ? 171 ASP A OD2 1 ATOM 1277 N N . GLY A 1 172 ? 8.163 8.150 17.165 1.00 12.40 ? 172 GLY A N 1 ATOM 1278 C CA . GLY A 1 172 ? 8.814 7.568 18.333 1.00 12.18 ? 172 GLY A CA 1 ATOM 1279 C C . GLY A 1 172 ? 8.833 8.460 19.564 1.00 11.94 ? 172 GLY A C 1 ATOM 1280 O O . GLY A 1 172 ? 9.761 8.391 20.379 1.00 13.44 ? 172 GLY A O 1 ATOM 1281 N N . ILE A 1 173 ? 7.810 9.295 19.711 1.00 9.65 ? 173 ILE A N 1 ATOM 1282 C CA . ILE A 1 173 ? 7.664 10.148 20.888 1.00 8.54 ? 173 ILE A CA 1 ATOM 1283 C C . ILE A 1 173 ? 6.916 9.435 22.018 1.00 8.14 ? 173 ILE A C 1 ATOM 1284 O O . ILE A 1 173 ? 7.374 9.419 23.167 1.00 8.98 ? 173 ILE A O 1 ATOM 1285 C CB . ILE A 1 173 ? 6.915 11.457 20.526 1.00 8.14 ? 173 ILE A CB 1 ATOM 1286 C CG1 . ILE A 1 173 ? 7.707 12.256 19.476 1.00 7.91 ? 173 ILE A CG1 1 ATOM 1287 C CG2 . ILE A 1 173 ? 6.623 12.300 21.785 1.00 8.29 ? 173 ILE A CG2 1 ATOM 1288 C CD1 . ILE A 1 173 ? 6.884 13.331 18.775 1.00 8.21 ? 173 ILE A CD1 1 ATOM 1289 N N . SER A 1 174 ? 5.754 8.880 21.692 1.00 7.21 ? 174 SER A N 1 ATOM 1290 C CA . SER A 1 174 ? 4.859 8.352 22.718 1.00 6.13 ? 174 SER A CA 1 ATOM 1291 C C . SER A 1 174 ? 4.847 6.829 22.764 1.00 6.46 ? 174 SER A C 1 ATOM 1292 O O . SER A 1 174 ? 4.411 6.161 21.822 1.00 5.94 ? 174 SER A O 1 ATOM 1293 C CB . SER A 1 174 ? 3.447 8.905 22.524 1.00 6.17 ? 174 SER A CB 1 ATOM 1294 O OG . SER A 1 174 ? 2.599 8.457 23.568 1.00 6.30 ? 174 SER A OG 1 ATOM 1295 N N . GLN A 1 175 ? 5.311 6.280 23.886 1.00 5.99 ? 175 GLN A N 1 ATOM 1296 C CA . GLN A 1 175 ? 5.346 4.834 24.106 1.00 6.61 ? 175 GLN A CA 1 ATOM 1297 C C . GLN A 1 175 ? 4.823 4.581 25.503 1.00 6.78 ? 175 GLN A C 1 ATOM 1298 O O . GLN A 1 175 ? 4.998 5.424 26.381 1.00 6.92 ? 175 GLN A O 1 ATOM 1299 C CB . GLN A 1 175 ? 6.781 4.294 24.016 1.00 6.37 ? 175 GLN A CB 1 ATOM 1300 C CG . GLN A 1 175 ? 7.532 4.663 22.739 1.00 7.23 ? 175 GLN A CG 1 ATOM 1301 C CD . GLN A 1 175 ? 7.280 3.697 21.581 1.00 7.22 ? 175 GLN A CD 1 ATOM 1302 O OE1 . GLN A 1 175 ? 6.364 2.862 21.606 1.00 6.52 ? 175 GLN A OE1 1 ATOM 1303 N NE2 . GLN A 1 175 ? 8.100 3.810 20.555 1.00 9.47 ? 175 GLN A NE2 1 ATOM 1304 N N . PRO A 1 176 ? 4.162 3.438 25.725 1.00 6.54 ? 176 PRO A N 1 ATOM 1305 C CA . PRO A 1 176 ? 3.831 3.109 27.111 1.00 7.12 ? 176 PRO A CA 1 ATOM 1306 C C . PRO A 1 176 ? 5.088 2.766 27.922 1.00 7.91 ? 176 PRO A C 1 ATOM 1307 O O . PRO A 1 176 ? 6.125 2.389 27.360 1.00 8.14 ? 176 PRO A O 1 ATOM 1308 C CB . PRO A 1 176 ? 2.896 1.895 26.965 1.00 6.33 ? 176 PRO A CB 1 ATOM 1309 C CG . PRO A 1 176 ? 3.341 1.242 25.709 1.00 6.49 ? 176 PRO A CG 1 ATOM 1310 C CD . PRO A 1 176 ? 3.749 2.379 24.786 1.00 6.48 ? 176 PRO A CD 1 ATOM 1311 N N . SER A 1 177 ? 4.986 2.920 29.238 1.00 9.04 ? 177 SER A N 1 ATOM 1312 C CA . SER A 1 177 ? 6.044 2.491 30.144 1.00 10.07 ? 177 SER A CA 1 ATOM 1313 C C . SER A 1 177 ? 5.463 1.360 30.975 1.00 9.84 ? 177 SER A C 1 ATOM 1314 O O . SER A 1 177 ? 4.337 1.473 31.468 1.00 10.50 ? 177 SER A O 1 ATOM 1315 C CB . SER A 1 177 ? 6.475 3.645 31.036 1.00 10.78 ? 177 SER A CB 1 ATOM 1316 O OG . SER A 1 177 ? 7.624 3.290 31.787 1.00 15.37 ? 177 SER A OG 1 ATOM 1317 N N . VAL A 1 178 ? 6.195 0.254 31.081 1.00 10.27 ? 178 VAL A N 1 ATOM 1318 C CA . VAL A 1 178 ? 5.715 -0.867 31.894 1.00 10.69 ? 178 VAL A CA 1 ATOM 1319 C C . VAL A 1 178 ? 6.366 -0.856 33.263 1.00 10.92 ? 178 VAL A C 1 ATOM 1320 O O . VAL A 1 178 ? 7.528 -0.465 33.411 1.00 11.53 ? 178 VAL A O 1 ATOM 1321 C CB . VAL A 1 178 ? 5.909 -2.265 31.226 1.00 10.73 ? 178 VAL A CB 1 ATOM 1322 C CG1 . VAL A 1 178 ? 5.171 -2.348 29.888 1.00 11.38 ? 178 VAL A CG1 1 ATOM 1323 C CG2 . VAL A 1 178 ? 7.383 -2.626 31.077 1.00 11.53 ? 178 VAL A CG2 1 ATOM 1324 N N . THR A 1 179 ? 5.592 -1.279 34.254 1.00 11.38 ? 179 THR A N 1 ATOM 1325 C CA . THR A 1 179 ? 6.136 -1.491 35.586 1.00 11.80 ? 179 THR A CA 1 ATOM 1326 C C . THR A 1 179 ? 6.935 -2.792 35.592 1.00 12.50 ? 179 THR A C 1 ATOM 1327 O O . THR A 1 179 ? 6.824 -3.612 34.673 1.00 12.06 ? 179 THR A O 1 ATOM 1328 C CB . THR A 1 179 ? 5.027 -1.515 36.654 1.00 11.85 ? 179 THR A CB 1 ATOM 1329 O OG1 . THR A 1 179 ? 4.125 -2.599 36.400 1.00 11.36 ? 179 THR A OG1 1 ATOM 1330 C CG2 . THR A 1 179 ? 4.234 -0.202 36.639 1.00 12.58 ? 179 THR A CG2 1 ATOM 1331 N N . GLY A 1 180 ? 7.762 -2.968 36.617 1.00 13.31 ? 180 GLY A N 1 ATOM 1332 C CA . GLY A 1 180 ? 8.576 -4.176 36.751 1.00 14.38 ? 180 GLY A CA 1 ATOM 1333 C C . GLY A 1 180 ? 10.055 -3.952 36.513 1.00 15.05 ? 180 GLY A C 1 ATOM 1334 O O . GLY A 1 180 ? 10.858 -4.870 36.659 1.00 15.31 ? 180 GLY A O 1 ATOM 1335 N N . TRP A 1 181 ? 10.420 -2.732 36.129 1.00 16.32 ? 181 TRP A N 1 ATOM 1336 C CA . TRP A 1 181 ? 11.821 -2.353 35.995 1.00 17.31 ? 181 TRP A CA 1 ATOM 1337 C C . TRP A 1 181 ? 12.005 -0.858 36.241 1.00 18.58 ? 181 TRP A C 1 ATOM 1338 O O . TRP A 1 181 ? 11.030 -0.105 36.297 1.00 18.66 ? 181 TRP A O 1 ATOM 1339 C CB . TRP A 1 181 ? 12.397 -2.777 34.638 1.00 17.15 ? 181 TRP A CB 1 ATOM 1340 C CG . TRP A 1 181 ? 11.888 -2.013 33.450 1.00 16.48 ? 181 TRP A CG 1 ATOM 1341 C CD1 . TRP A 1 181 ? 10.584 -1.833 33.081 1.00 15.94 ? 181 TRP A CD1 1 ATOM 1342 C CD2 . TRP A 1 181 ? 12.681 -1.363 32.452 1.00 16.32 ? 181 TRP A CD2 1 ATOM 1343 N NE1 . TRP A 1 181 ? 10.517 -1.085 31.926 1.00 16.24 ? 181 TRP A NE1 1 ATOM 1344 C CE2 . TRP A 1 181 ? 11.791 -0.795 31.513 1.00 16.42 ? 181 TRP A CE2 1 ATOM 1345 C CE3 . TRP A 1 181 ? 14.060 -1.197 32.263 1.00 17.79 ? 181 TRP A CE3 1 ATOM 1346 C CZ2 . TRP A 1 181 ? 12.234 -0.065 30.403 1.00 17.35 ? 181 TRP A CZ2 1 ATOM 1347 C CZ3 . TRP A 1 181 ? 14.501 -0.480 31.156 1.00 18.51 ? 181 TRP A CZ3 1 ATOM 1348 C CH2 . TRP A 1 181 ? 13.589 0.078 30.241 1.00 17.97 ? 181 TRP A CH2 1 ATOM 1349 N N . GLU A 1 182 ? 13.266 -0.459 36.381 1.00 20.06 ? 182 GLU A N 1 ATOM 1350 C CA . GLU A 1 182 ? 13.660 0.905 36.722 1.00 21.56 ? 182 GLU A CA 1 ATOM 1351 C C . GLU A 1 182 ? 13.865 1.731 35.455 1.00 21.69 ? 182 GLU A C 1 ATOM 1352 O O . GLU A 1 182 ? 14.809 1.497 34.702 1.00 22.20 ? 182 GLU A O 1 ATOM 1353 C CB . GLU A 1 182 ? 14.945 0.865 37.575 1.00 21.95 ? 182 GLU A CB 1 ATOM 1354 C CG . GLU A 1 182 ? 16.249 0.419 36.849 1.00 24.76 ? 182 GLU A CG 1 ATOM 1355 C CD . GLU A 1 182 ? 16.261 -1.033 36.327 1.00 27.94 ? 182 GLU A CD 1 ATOM 1356 O OE1 . GLU A 1 182 ? 17.132 -1.345 35.482 1.00 30.02 ? 182 GLU A OE1 1 ATOM 1357 O OE2 . GLU A 1 182 ? 15.427 -1.868 36.751 1.00 28.64 ? 182 GLU A OE2 1 ATOM 1358 N N . THR A 1 183 ? 12.965 2.679 35.205 1.00 22.12 ? 183 THR A N 1 ATOM 1359 C CA . THR A 1 183 ? 13.034 3.476 33.982 1.00 22.68 ? 183 THR A CA 1 ATOM 1360 C C . THR A 1 183 ? 12.512 4.904 34.167 1.00 22.08 ? 183 THR A C 1 ATOM 1361 O O . THR A 1 183 ? 11.776 5.192 35.111 1.00 22.43 ? 183 THR A O 1 ATOM 1362 C CB . THR A 1 183 ? 12.316 2.765 32.785 1.00 22.78 ? 183 THR A CB 1 ATOM 1363 O OG1 . THR A 1 183 ? 12.654 3.422 31.555 1.00 25.21 ? 183 THR A OG1 1 ATOM 1364 C CG2 . THR A 1 183 ? 10.797 2.749 32.959 1.00 24.05 ? 183 THR A CG2 1 ATOM 1365 N N . THR A 1 184 ? 12.906 5.792 33.261 1.00 21.87 ? 184 THR A N 1 ATOM 1366 C CA . THR A 1 184 ? 12.401 7.161 33.272 1.00 21.53 ? 184 THR A CA 1 ATOM 1367 C C . THR A 1 184 ? 10.999 7.198 32.669 1.00 20.34 ? 184 THR A C 1 ATOM 1368 O O . THR A 1 184 ? 10.756 6.613 31.610 1.00 20.39 ? 184 THR A O 1 ATOM 1369 C CB . THR A 1 184 ? 13.338 8.135 32.518 1.00 21.85 ? 184 THR A CB 1 ATOM 1370 O OG1 . THR A 1 184 ? 13.580 7.652 31.191 1.00 24.13 ? 184 THR A OG1 1 ATOM 1371 C CG2 . THR A 1 184 ? 14.669 8.267 33.242 1.00 22.55 ? 184 THR A CG2 1 ATOM 1372 N N . VAL A 1 185 ? 10.087 7.858 33.376 1.00 19.02 ? 185 VAL A N 1 ATOM 1373 C CA . VAL A 1 185 ? 8.716 8.079 32.914 1.00 17.47 ? 185 VAL A CA 1 ATOM 1374 C C . VAL A 1 185 ? 8.496 9.577 32.667 1.00 16.21 ? 185 VAL A C 1 ATOM 1375 O O . VAL A 1 185 ? 8.673 10.407 33.571 1.00 16.31 ? 185 VAL A O 1 ATOM 1376 C CB . VAL A 1 185 ? 7.664 7.554 33.933 1.00 17.71 ? 185 VAL A CB 1 ATOM 1377 C CG1 . VAL A 1 185 ? 6.241 7.839 33.450 1.00 18.18 ? 185 VAL A CG1 1 ATOM 1378 C CG2 . VAL A 1 185 ? 7.860 6.055 34.200 1.00 18.15 ? 185 VAL A CG2 1 ATOM 1379 N N . PHE A 1 186 ? 8.105 9.916 31.444 1.00 13.95 ? 186 PHE A N 1 ATOM 1380 C CA . PHE A 1 186 ? 7.863 11.314 31.069 1.00 12.73 ? 186 PHE A CA 1 ATOM 1381 C C . PHE A 1 186 ? 6.448 11.773 31.390 1.00 11.69 ? 186 PHE A C 1 ATOM 1382 O O . PHE A 1 186 ? 5.530 10.949 31.465 1.00 10.80 ? 186 PHE A O 1 ATOM 1383 C CB . PHE A 1 186 ? 8.158 11.529 29.585 1.00 12.42 ? 186 PHE A CB 1 ATOM 1384 C CG . PHE A 1 186 ? 9.597 11.312 29.214 1.00 12.93 ? 186 PHE A CG 1 ATOM 1385 C CD1 . PHE A 1 186 ? 10.595 12.152 29.699 1.00 13.51 ? 186 PHE A CD1 1 ATOM 1386 C CD2 . PHE A 1 186 ? 9.952 10.276 28.362 1.00 14.13 ? 186 PHE A CD2 1 ATOM 1387 C CE1 . PHE A 1 186 ? 11.919 11.951 29.347 1.00 15.52 ? 186 PHE A CE1 1 ATOM 1388 C CE2 . PHE A 1 186 ? 11.282 10.070 28.002 1.00 15.70 ? 186 PHE A CE2 1 ATOM 1389 C CZ . PHE A 1 186 ? 12.266 10.907 28.498 1.00 16.27 ? 186 PHE A CZ 1 ATOM 1390 N N . PRO A 1 187 ? 6.255 13.090 31.602 1.00 11.31 ? 187 PRO A N 1 ATOM 1391 C CA . PRO A 1 187 ? 4.910 13.593 31.861 1.00 10.76 ? 187 PRO A CA 1 ATOM 1392 C C . PRO A 1 187 ? 3.954 13.241 30.717 1.00 10.54 ? 187 PRO A C 1 ATOM 1393 O O . PRO A 1 187 ? 4.261 13.494 29.553 1.00 10.38 ? 187 PRO A O 1 ATOM 1394 C CB . PRO A 1 187 ? 5.120 15.110 31.963 1.00 11.25 ? 187 PRO A CB 1 ATOM 1395 C CG . PRO A 1 187 ? 6.544 15.238 32.474 1.00 10.93 ? 187 PRO A CG 1 ATOM 1396 C CD . PRO A 1 187 ? 7.283 14.139 31.775 1.00 11.22 ? 187 PRO A CD 1 ATOM 1397 N N . GLY A 1 188 ? 2.813 12.646 31.062 1.00 10.31 ? 188 GLY A N 1 ATOM 1398 C CA . GLY A 1 188 ? 1.804 12.261 30.068 1.00 10.43 ? 188 GLY A CA 1 ATOM 1399 C C . GLY A 1 188 ? 1.969 10.841 29.543 1.00 10.45 ? 188 GLY A C 1 ATOM 1400 O O . GLY A 1 188 ? 1.085 10.323 28.852 1.00 10.89 ? 188 GLY A O 1 ATOM 1401 N N . GLN A 1 189 ? 3.091 10.206 29.876 1.00 10.78 ? 189 GLN A N 1 ATOM 1402 C CA . GLN A 1 189 ? 3.368 8.840 29.438 1.00 10.66 ? 189 GLN A CA 1 ATOM 1403 C C . GLN A 1 189 ? 2.473 7.862 30.201 1.00 11.17 ? 189 GLN A C 1 ATOM 1404 O O . GLN A 1 189 ? 2.316 7.993 31.410 1.00 11.40 ? 189 GLN A O 1 ATOM 1405 C CB . GLN A 1 189 ? 4.845 8.512 29.666 1.00 11.26 ? 189 GLN A CB 1 ATOM 1406 C CG . GLN A 1 189 ? 5.325 7.332 28.861 1.00 11.22 ? 189 GLN A CG 1 ATOM 1407 C CD . GLN A 1 189 ? 6.813 7.051 28.976 1.00 10.15 ? 189 GLN A CD 1 ATOM 1408 O OE1 . GLN A 1 189 ? 7.555 7.700 29.727 1.00 11.97 ? 189 GLN A OE1 1 ATOM 1409 N NE2 . GLN A 1 189 ? 7.263 6.070 28.212 1.00 8.68 ? 189 GLN A NE2 1 ATOM 1410 N N . ALA A 1 190 ? 1.874 6.903 29.496 1.00 10.62 ? 190 ALA A N 1 ATOM 1411 C CA . ALA A 1 190 ? 1.081 5.861 30.137 1.00 11.03 ? 190 ALA A CA 1 ATOM 1412 C C . ALA A 1 190 ? 1.985 4.900 30.887 1.00 11.18 ? 190 ALA A C 1 ATOM 1413 O O . ALA A 1 190 ? 3.055 4.537 30.399 1.00 11.81 ? 190 ALA A O 1 ATOM 1414 C CB . ALA A 1 190 ? 0.251 5.095 29.096 1.00 10.93 ? 190 ALA A CB 1 ATOM 1415 N N . VAL A 1 191 ? 1.557 4.516 32.085 1.00 10.82 ? 191 VAL A N 1 ATOM 1416 C CA . VAL A 1 191 ? 2.256 3.509 32.869 1.00 10.50 ? 191 VAL A CA 1 ATOM 1417 C C . VAL A 1 191 ? 1.320 2.319 33.006 1.00 10.52 ? 191 VAL A C 1 ATOM 1418 O O . VAL A 1 191 ? 0.210 2.450 33.526 1.00 11.09 ? 191 VAL A O 1 ATOM 1419 C CB . VAL A 1 191 ? 2.662 4.053 34.244 1.00 11.02 ? 191 VAL A CB 1 ATOM 1420 C CG1 . VAL A 1 191 ? 3.213 2.933 35.125 1.00 11.90 ? 191 VAL A CG1 1 ATOM 1421 C CG2 . VAL A 1 191 ? 3.695 5.160 34.069 1.00 11.69 ? 191 VAL A CG2 1 ATOM 1422 N N . VAL A 1 192 ? 1.766 1.170 32.502 1.00 9.03 ? 192 VAL A N 1 ATOM 1423 C CA . VAL A 1 192 ? 0.910 -0.006 32.400 1.00 8.99 ? 192 VAL A CA 1 ATOM 1424 C C . VAL A 1 192 ? 1.601 -1.224 33.020 1.00 8.08 ? 192 VAL A C 1 ATOM 1425 O O . VAL A 1 192 ? 2.834 -1.254 33.123 1.00 8.19 ? 192 VAL A O 1 ATOM 1426 C CB . VAL A 1 192 ? 0.519 -0.301 30.917 1.00 9.10 ? 192 VAL A CB 1 ATOM 1427 C CG1 . VAL A 1 192 ? -0.232 0.892 30.300 1.00 9.65 ? 192 VAL A CG1 1 ATOM 1428 C CG2 . VAL A 1 192 ? 1.737 -0.697 30.081 1.00 9.37 ? 192 VAL A CG2 1 ATOM 1429 N N . PRO A 1 193 ? 0.807 -2.237 33.436 1.00 8.18 ? 193 PRO A N 1 ATOM 1430 C CA . PRO A 1 193 ? 1.444 -3.470 33.902 1.00 8.27 ? 193 PRO A CA 1 ATOM 1431 C C . PRO A 1 193 ? 2.201 -4.149 32.755 1.00 7.76 ? 193 PRO A C 1 ATOM 1432 O O . PRO A 1 193 ? 1.830 -3.976 31.584 1.00 7.72 ? 193 PRO A O 1 ATOM 1433 C CB . PRO A 1 193 ? 0.269 -4.340 34.386 1.00 8.72 ? 193 PRO A CB 1 ATOM 1434 C CG . PRO A 1 193 ? -0.952 -3.614 34.144 1.00 10.24 ? 193 PRO A CG 1 ATOM 1435 C CD . PRO A 1 193 ? -0.661 -2.306 33.467 1.00 8.11 ? 193 PRO A CD 1 ATOM 1436 N N . PRO A 1 194 ? 3.271 -4.892 33.075 1.00 7.58 ? 194 PRO A N 1 ATOM 1437 C CA . PRO A 1 194 ? 4.127 -5.415 32.018 1.00 7.39 ? 194 PRO A CA 1 ATOM 1438 C C . PRO A 1 194 ? 3.436 -6.384 31.070 1.00 6.85 ? 194 PRO A C 1 ATOM 1439 O O . PRO A 1 194 ? 3.878 -6.519 29.917 1.00 6.39 ? 194 PRO A O 1 ATOM 1440 C CB . PRO A 1 194 ? 5.257 -6.112 32.781 1.00 7.84 ? 194 PRO A CB 1 ATOM 1441 C CG . PRO A 1 194 ? 4.676 -6.409 34.133 1.00 7.98 ? 194 PRO A CG 1 ATOM 1442 C CD . PRO A 1 194 ? 3.763 -5.253 34.416 1.00 7.24 ? 194 PRO A CD 1 ATOM 1443 N N . GLY A 1 195 ? 2.366 -7.040 31.537 1.00 6.41 ? 195 GLY A N 1 ATOM 1444 C CA . GLY A 1 195 ? 1.644 -8.015 30.726 1.00 5.93 ? 195 GLY A CA 1 ATOM 1445 C C . GLY A 1 195 ? 0.799 -7.422 29.613 1.00 5.77 ? 195 GLY A C 1 ATOM 1446 O O . GLY A 1 195 ? 0.212 -8.160 28.834 1.00 5.89 ? 195 GLY A O 1 ATOM 1447 N N . ILE A 1 196 ? 0.754 -6.098 29.513 1.00 5.72 ? 196 ILE A N 1 ATOM 1448 C CA . ILE A 1 196 ? 0.163 -5.465 28.325 1.00 5.90 ? 196 ILE A CA 1 ATOM 1449 C C . ILE A 1 196 ? 1.073 -5.734 27.118 1.00 5.84 ? 196 ILE A C 1 ATOM 1450 O O . ILE A 1 196 ? 0.595 -5.871 25.978 1.00 5.73 ? 196 ILE A O 1 ATOM 1451 C CB . ILE A 1 196 ? -0.105 -3.956 28.541 1.00 6.01 ? 196 ILE A CB 1 ATOM 1452 C CG1 . ILE A 1 196 ? -1.047 -3.734 29.737 1.00 6.47 ? 196 ILE A CG1 1 ATOM 1453 C CG2 . ILE A 1 196 ? -0.683 -3.319 27.282 1.00 6.53 ? 196 ILE A CG2 1 ATOM 1454 C CD1 . ILE A 1 196 ? -2.388 -4.528 29.680 1.00 6.73 ? 196 ILE A CD1 1 ATOM 1455 N N . ILE A 1 197 ? 2.367 -5.881 27.393 1.00 5.74 ? 197 ILE A N 1 ATOM 1456 C CA . ILE A 1 197 ? 3.383 -6.064 26.363 1.00 6.09 ? 197 ILE A CA 1 ATOM 1457 C C . ILE A 1 197 ? 3.954 -7.483 26.373 1.00 5.87 ? 197 ILE A C 1 ATOM 1458 O O . ILE A 1 197 ? 4.175 -8.080 25.317 1.00 6.65 ? 197 ILE A O 1 ATOM 1459 C CB . ILE A 1 197 ? 4.532 -5.018 26.529 1.00 5.72 ? 197 ILE A CB 1 ATOM 1460 C CG1 . ILE A 1 197 ? 3.969 -3.586 26.572 1.00 6.47 ? 197 ILE A CG1 1 ATOM 1461 C CG2 . ILE A 1 197 ? 5.561 -5.170 25.411 1.00 6.78 ? 197 ILE A CG2 1 ATOM 1462 C CD1 . ILE A 1 197 ? 3.133 -3.169 25.334 1.00 5.66 ? 197 ILE A CD1 1 ATOM 1463 N N . LEU A 1 198 ? 4.195 -8.016 27.572 1.00 6.11 ? 198 LEU A N 1 ATOM 1464 C CA . LEU A 1 198 ? 4.899 -9.291 27.723 1.00 5.87 ? 198 LEU A CA 1 ATOM 1465 C C . LEU A 1 198 ? 3.926 -10.396 28.078 1.00 5.83 ? 198 LEU A C 1 ATOM 1466 O O . LEU A 1 198 ? 3.213 -10.314 29.074 1.00 6.13 ? 198 LEU A O 1 ATOM 1467 C CB . LEU A 1 198 ? 6.005 -9.180 28.788 1.00 6.33 ? 198 LEU A CB 1 ATOM 1468 C CG . LEU A 1 198 ? 7.113 -8.155 28.521 1.00 6.24 ? 198 LEU A CG 1 ATOM 1469 C CD1 . LEU A 1 198 ? 7.939 -7.903 29.764 1.00 8.30 ? 198 LEU A CD1 1 ATOM 1470 C CD2 . LEU A 1 198 ? 8.018 -8.637 27.381 1.00 8.07 ? 198 LEU A CD2 1 ATOM 1471 N N . THR A 1 199 ? 3.910 -11.436 27.255 1.00 5.74 ? 199 THR A N 1 ATOM 1472 C CA . THR A 1 199 ? 3.038 -12.574 27.521 1.00 5.63 ? 199 THR A CA 1 ATOM 1473 C C . THR A 1 199 ? 3.375 -13.240 28.855 1.00 6.04 ? 199 THR A C 1 ATOM 1474 O O . THR A 1 199 ? 4.549 -13.393 29.221 1.00 6.63 ? 199 THR A O 1 ATOM 1475 C CB . THR A 1 199 ? 3.040 -13.586 26.342 1.00 5.70 ? 199 THR A CB 1 ATOM 1476 O OG1 . THR A 1 199 ? 4.381 -13.907 25.961 1.00 6.53 ? 199 THR A OG1 1 ATOM 1477 C CG2 . THR A 1 199 ? 2.325 -12.986 25.142 1.00 6.94 ? 199 THR A CG2 1 ATOM 1478 N N . GLY A 1 200 ? 2.325 -13.598 29.587 1.00 6.76 ? 200 GLY A N 1 ATOM 1479 C CA . GLY A 1 200 ? 2.454 -14.296 30.860 1.00 7.46 ? 200 GLY A CA 1 ATOM 1480 C C . GLY A 1 200 ? 2.731 -13.411 32.065 1.00 8.36 ? 200 GLY A C 1 ATOM 1481 O O . GLY A 1 200 ? 2.812 -13.907 33.188 1.00 9.38 ? 200 GLY A O 1 ATOM 1482 N N . ARG A 1 201 ? 2.888 -12.105 31.846 1.00 8.11 ? 201 ARG A N 1 ATOM 1483 C CA . ARG A 1 201 ? 3.081 -11.162 32.955 1.00 8.46 ? 201 ARG A CA 1 ATOM 1484 C C . ARG A 1 201 ? 1.757 -10.537 33.422 1.00 8.51 ? 201 ARG A C 1 ATOM 1485 O O . ARG A 1 201 ? 0.727 -10.652 32.750 1.00 7.96 ? 201 ARG A O 1 ATOM 1486 C CB . ARG A 1 201 ? 4.123 -10.091 32.592 1.00 8.37 ? 201 ARG A CB 1 ATOM 1487 C CG . ARG A 1 201 ? 5.535 -10.625 32.408 1.00 8.53 ? 201 ARG A CG 1 ATOM 1488 C CD . ARG A 1 201 ? 6.127 -10.988 33.758 1.00 9.61 ? 201 ARG A CD 1 ATOM 1489 N NE . ARG A 1 201 ? 7.444 -11.585 33.619 1.00 9.54 ? 201 ARG A NE 1 ATOM 1490 C CZ . ARG A 1 201 ? 8.146 -12.095 34.627 1.00 10.49 ? 201 ARG A CZ 1 ATOM 1491 N NH1 . ARG A 1 201 ? 7.653 -12.083 35.862 1.00 12.35 ? 201 ARG A NH1 1 ATOM 1492 N NH2 . ARG A 1 201 ? 9.342 -12.611 34.395 1.00 10.05 ? 201 ARG A NH2 1 ATOM 1493 N N . ASP A 1 202 ? 1.787 -9.883 34.586 1.00 9.23 ? 202 ASP A N 1 ATOM 1494 C CA . ASP A 1 202 ? 0.584 -9.252 35.144 1.00 10.42 ? 202 ASP A CA 1 ATOM 1495 C C . ASP A 1 202 ? -0.029 -8.270 34.159 1.00 9.91 ? 202 ASP A C 1 ATOM 1496 O O . ASP A 1 202 ? 0.670 -7.414 33.631 1.00 9.71 ? 202 ASP A O 1 ATOM 1497 C CB . ASP A 1 202 ? 0.923 -8.509 36.437 1.00 11.77 ? 202 ASP A CB 1 ATOM 1498 C CG . ASP A 1 202 ? 1.170 -9.437 37.610 1.00 15.72 ? 202 ASP A CG 1 ATOM 1499 O OD1 . ASP A 1 202 ? 0.988 -10.674 37.483 1.00 19.71 ? 202 ASP A OD1 1 ATOM 1500 O OD2 . ASP A 1 202 ? 1.552 -8.911 38.679 1.00 20.62 ? 202 ASP A OD2 1 ATOM 1501 N N . GLY A 1 203 ? -1.331 -8.400 33.928 1.00 9.22 ? 203 GLY A N 1 ATOM 1502 C CA . GLY A 1 203 ? -2.023 -7.596 32.926 1.00 9.16 ? 203 GLY A CA 1 ATOM 1503 C C . GLY A 1 203 ? -2.354 -8.351 31.657 1.00 8.62 ? 203 GLY A C 1 ATOM 1504 O O . GLY A 1 203 ? -3.237 -7.941 30.914 1.00 9.39 ? 203 GLY A O 1 ATOM 1505 N N . ASP A 1 204 ? -1.638 -9.444 31.406 1.00 8.29 ? 204 ASP A N 1 ATOM 1506 C CA . ASP A 1 204 ? -1.954 -10.327 30.283 1.00 8.31 ? 204 ASP A CA 1 ATOM 1507 C C . ASP A 1 204 ? -3.071 -11.276 30.702 1.00 8.56 ? 204 ASP A C 1 ATOM 1508 O O . ASP A 1 204 ? -2.935 -11.989 31.697 1.00 10.15 ? 204 ASP A O 1 ATOM 1509 C CB . ASP A 1 204 ? -0.721 -11.135 29.872 1.00 7.68 ? 204 ASP A CB 1 ATOM 1510 C CG . ASP A 1 204 ? -0.976 -12.039 28.679 1.00 7.04 ? 204 ASP A CG 1 ATOM 1511 O OD1 . ASP A 1 204 ? -2.006 -11.876 27.992 1.00 5.83 ? 204 ASP A OD1 1 ATOM 1512 O OD2 . ASP A 1 204 ? -0.137 -12.923 28.439 1.00 7.40 ? 204 ASP A OD2 1 ATOM 1513 N N . THR A 1 205 ? -4.159 -11.291 29.943 1.00 8.12 ? 205 THR A N 1 ATOM 1514 C CA . THR A 1 205 ? -5.284 -12.178 30.249 1.00 8.83 ? 205 THR A CA 1 ATOM 1515 C C . THR A 1 205 ? -5.359 -13.386 29.322 1.00 8.72 ? 205 THR A C 1 ATOM 1516 O O . THR A 1 205 ? -6.264 -14.215 29.463 1.00 9.14 ? 205 THR A O 1 ATOM 1517 C CB . THR A 1 205 ? -6.616 -11.437 30.181 1.00 9.28 ? 205 THR A CB 1 ATOM 1518 O OG1 . THR A 1 205 ? -6.769 -10.878 28.874 1.00 11.33 ? 205 THR A OG1 1 ATOM 1519 C CG2 . THR A 1 205 ? -6.685 -10.336 31.245 1.00 10.71 ? 205 THR A CG2 1 ATOM 1520 N N . GLY A 1 206 ? -4.426 -13.487 28.376 1.00 7.46 ? 206 GLY A N 1 ATOM 1521 C CA . GLY A 1 206 ? -4.390 -14.629 27.462 1.00 7.63 ? 206 GLY A CA 1 ATOM 1522 C C . GLY A 1 206 ? -3.874 -15.882 28.143 1.00 7.03 ? 206 GLY A C 1 ATOM 1523 O O . GLY A 1 206 ? -3.117 -15.815 29.115 1.00 7.20 ? 206 GLY A O 1 ATOM 1524 N N . THR A 1 207 ? -4.276 -17.028 27.607 1.00 6.83 ? 207 THR A N 1 ATOM 1525 C CA . THR A 1 207 ? -3.903 -18.322 28.161 1.00 6.98 ? 207 THR A CA 1 ATOM 1526 C C . THR A 1 207 ? -2.587 -18.757 27.527 1.00 6.49 ? 207 THR A C 1 ATOM 1527 O O . THR A 1 207 ? -2.566 -19.152 26.357 1.00 6.90 ? 207 THR A O 1 ATOM 1528 C CB . THR A 1 207 ? -5.047 -19.328 27.917 1.00 7.17 ? 207 THR A CB 1 ATOM 1529 O OG1 . THR A 1 207 ? -6.234 -18.845 28.569 1.00 8.62 ? 207 THR A OG1 1 ATOM 1530 C CG2 . THR A 1 207 ? -4.707 -20.714 28.453 1.00 7.24 ? 207 THR A CG2 1 ATOM 1531 N N . ARG A 1 208 ? -1.490 -18.662 28.280 1.00 6.21 ? 208 ARG A N 1 ATOM 1532 C CA . ARG A 1 208 ? -0.151 -18.874 27.708 1.00 6.48 ? 208 ARG A CA 1 ATOM 1533 C C . ARG A 1 208 ? 0.512 -20.134 28.225 1.00 6.37 ? 208 ARG A C 1 ATOM 1534 O O . ARG A 1 208 ? 0.453 -20.403 29.423 1.00 6.04 ? 208 ARG A O 1 ATOM 1535 C CB . ARG A 1 208 ? 0.796 -17.715 28.068 1.00 6.39 ? 208 ARG A CB 1 ATOM 1536 C CG . ARG A 1 208 ? 0.192 -16.338 27.914 1.00 6.12 ? 208 ARG A CG 1 ATOM 1537 C CD . ARG A 1 208 ? -0.207 -16.053 26.487 1.00 6.34 ? 208 ARG A CD 1 ATOM 1538 N NE . ARG A 1 208 ? -0.769 -14.716 26.413 1.00 5.91 ? 208 ARG A NE 1 ATOM 1539 C CZ . ARG A 1 208 ? -1.429 -14.243 25.369 1.00 6.87 ? 208 ARG A CZ 1 ATOM 1540 N NH1 . ARG A 1 208 ? -1.588 -14.994 24.278 1.00 6.86 ? 208 ARG A NH1 1 ATOM 1541 N NH2 . ARG A 1 208 ? -1.909 -13.006 25.420 1.00 7.16 ? 208 ARG A NH2 1 ATOM 1542 N N . PRO A 1 209 ? 1.198 -20.881 27.340 1.00 6.05 ? 209 PRO A N 1 ATOM 1543 C CA . PRO A 1 209 ? 2.082 -21.920 27.860 1.00 6.60 ? 209 PRO A CA 1 ATOM 1544 C C . PRO A 1 209 ? 3.135 -21.288 28.761 1.00 6.86 ? 209 PRO A C 1 ATOM 1545 O O . PRO A 1 209 ? 3.532 -20.138 28.538 1.00 6.75 ? 209 PRO A O 1 ATOM 1546 C CB . PRO A 1 209 ? 2.761 -22.484 26.611 1.00 6.79 ? 209 PRO A CB 1 ATOM 1547 C CG . PRO A 1 209 ? 2.063 -21.933 25.443 1.00 8.29 ? 209 PRO A CG 1 ATOM 1548 C CD . PRO A 1 209 ? 1.301 -20.720 25.876 1.00 6.10 ? 209 PRO A CD 1 ATOM 1549 N N . SER A 1 210 ? 3.601 -22.036 29.753 1.00 6.30 ? 210 SER A N 1 ATOM 1550 C CA . SER A 1 210 ? 4.614 -21.516 30.671 1.00 6.93 ? 210 SER A CA 1 ATOM 1551 C C . SER A 1 210 ? 5.863 -21.026 29.928 1.00 7.36 ? 210 SER A C 1 ATOM 1552 O O . SER A 1 210 ? 6.482 -20.038 30.339 1.00 8.13 ? 210 SER A O 1 ATOM 1553 C CB . SER A 1 210 ? 4.984 -22.575 31.711 1.00 7.17 ? 210 SER A CB 1 ATOM 1554 O OG . SER A 1 210 ? 5.659 -23.658 31.097 1.00 8.57 ? 210 SER A OG 1 ATOM 1555 N N . TRP A 1 211 ? 6.218 -21.695 28.830 1.00 7.27 ? 211 TRP A N 1 ATOM 1556 C CA . TRP A 1 211 ? 7.428 -21.320 28.087 1.00 7.40 ? 211 TRP A CA 1 ATOM 1557 C C . TRP A 1 211 ? 7.313 -19.995 27.332 1.00 7.44 ? 211 TRP A C 1 ATOM 1558 O O . TRP A 1 211 ? 8.326 -19.456 26.872 1.00 7.93 ? 211 TRP A O 1 ATOM 1559 C CB . TRP A 1 211 ? 7.887 -22.450 27.157 1.00 7.43 ? 211 TRP A CB 1 ATOM 1560 C CG . TRP A 1 211 ? 6.889 -22.914 26.119 1.00 7.99 ? 211 TRP A CG 1 ATOM 1561 C CD1 . TRP A 1 211 ? 6.103 -24.032 26.181 1.00 7.72 ? 211 TRP A CD1 1 ATOM 1562 C CD2 . TRP A 1 211 ? 6.625 -22.311 24.847 1.00 8.13 ? 211 TRP A CD2 1 ATOM 1563 N NE1 . TRP A 1 211 ? 5.364 -24.158 25.037 1.00 7.54 ? 211 TRP A NE1 1 ATOM 1564 C CE2 . TRP A 1 211 ? 5.661 -23.113 24.198 1.00 7.73 ? 211 TRP A CE2 1 ATOM 1565 C CE3 . TRP A 1 211 ? 7.107 -21.167 24.192 1.00 8.66 ? 211 TRP A CE3 1 ATOM 1566 C CZ2 . TRP A 1 211 ? 5.148 -22.799 22.934 1.00 8.99 ? 211 TRP A CZ2 1 ATOM 1567 C CZ3 . TRP A 1 211 ? 6.606 -20.862 22.927 1.00 9.94 ? 211 TRP A CZ3 1 ATOM 1568 C CH2 . TRP A 1 211 ? 5.644 -21.676 22.310 1.00 9.32 ? 211 TRP A CH2 1 ATOM 1569 N N . ALA A 1 212 ? 6.094 -19.471 27.226 1.00 7.07 ? 212 ALA A N 1 ATOM 1570 C CA . ALA A 1 212 ? 5.853 -18.218 26.520 1.00 6.89 ? 212 ALA A CA 1 ATOM 1571 C C . ALA A 1 212 ? 6.070 -16.993 27.398 1.00 6.92 ? 212 ALA A C 1 ATOM 1572 O O . ALA A 1 212 ? 5.947 -15.861 26.919 1.00 7.01 ? 212 ALA A O 1 ATOM 1573 C CB . ALA A 1 212 ? 4.442 -18.203 25.931 1.00 7.10 ? 212 ALA A CB 1 ATOM 1574 N N . LEU A 1 213 ? 6.404 -17.210 28.671 1.00 6.65 ? 213 LEU A N 1 ATOM 1575 C CA . LEU A 1 213 ? 6.650 -16.097 29.585 1.00 6.89 ? 213 LEU A CA 1 ATOM 1576 C C . LEU A 1 213 ? 7.704 -15.161 29.003 1.00 6.64 ? 213 LEU A C 1 ATOM 1577 O O . LEU A 1 213 ? 8.752 -15.609 28.529 1.00 6.78 ? 213 LEU A O 1 ATOM 1578 C CB . LEU A 1 213 ? 7.119 -16.602 30.953 1.00 6.70 ? 213 LEU A CB 1 ATOM 1579 C CG . LEU A 1 213 ? 7.376 -15.512 32.005 1.00 7.86 ? 213 LEU A CG 1 ATOM 1580 C CD1 . LEU A 1 213 ? 6.112 -14.755 32.393 1.00 8.22 ? 213 LEU A CD1 1 ATOM 1581 C CD2 . LEU A 1 213 ? 8.026 -16.140 33.232 1.00 8.08 ? 213 LEU A CD2 1 ATOM 1582 N N . ASP A 1 214 ? 7.400 -13.864 29.042 1.00 6.27 ? 214 ASP A N 1 ATOM 1583 C CA . ASP A 1 214 ? 8.330 -12.791 28.632 1.00 6.62 ? 214 ASP A CA 1 ATOM 1584 C C . ASP A 1 214 ? 8.612 -12.721 27.135 1.00 6.55 ? 214 ASP A C 1 ATOM 1585 O O . ASP A 1 214 ? 9.615 -12.138 26.708 1.00 6.94 ? 214 ASP A O 1 ATOM 1586 C CB . ASP A 1 214 ? 9.628 -12.836 29.458 1.00 6.75 ? 214 ASP A CB 1 ATOM 1587 C CG . ASP A 1 214 ? 9.431 -12.346 30.877 1.00 8.04 ? 214 ASP A CG 1 ATOM 1588 O OD1 . ASP A 1 214 ? 8.553 -11.490 31.101 1.00 7.82 ? 214 ASP A OD1 1 ATOM 1589 O OD2 . ASP A 1 214 ? 10.171 -12.833 31.762 1.00 9.73 ? 214 ASP A OD2 1 ATOM 1590 N N . GLY A 1 215 ? 7.714 -13.313 26.352 1.00 6.28 ? 215 GLY A N 1 ATOM 1591 C CA . GLY A 1 215 ? 7.675 -13.079 24.919 1.00 5.59 ? 215 GLY A CA 1 ATOM 1592 C C . GLY A 1 215 ? 6.738 -11.928 24.599 1.00 4.96 ? 215 GLY A C 1 ATOM 1593 O O . GLY A 1 215 ? 6.190 -11.263 25.490 1.00 5.22 ? 215 GLY A O 1 ATOM 1594 N N . SER A 1 216 ? 6.554 -11.681 23.310 1.00 4.65 ? 216 SER A N 1 ATOM 1595 C CA . SER A 1 216 ? 5.586 -10.678 22.864 1.00 4.83 ? 216 SER A CA 1 ATOM 1596 C C . SER A 1 216 ? 5.199 -10.982 21.435 1.00 4.26 ? 216 SER A C 1 ATOM 1597 O O . SER A 1 216 ? 5.925 -11.662 20.711 1.00 4.69 ? 216 SER A O 1 ATOM 1598 C CB . SER A 1 216 ? 6.190 -9.270 22.944 1.00 4.96 ? 216 SER A CB 1 ATOM 1599 O OG . SER A 1 216 ? 5.214 -8.259 22.750 1.00 4.65 ? 216 SER A OG 1 ATOM 1600 N N . PHE A 1 217 ? 4.035 -10.488 21.031 1.00 4.44 ? 217 PHE A N 1 ATOM 1601 C CA . PHE A 1 217 ? 3.652 -10.599 19.637 1.00 5.02 ? 217 PHE A CA 1 ATOM 1602 C C . PHE A 1 217 ? 3.961 -9.329 18.872 1.00 4.93 ? 217 PHE A C 1 ATOM 1603 O O . PHE A 1 217 ? 3.589 -8.225 19.298 1.00 4.89 ? 217 PHE A O 1 ATOM 1604 C CB . PHE A 1 217 ? 2.162 -10.894 19.500 1.00 5.31 ? 217 PHE A CB 1 ATOM 1605 C CG . PHE A 1 217 ? 1.761 -12.255 19.975 1.00 5.33 ? 217 PHE A CG 1 ATOM 1606 C CD1 . PHE A 1 217 ? 1.896 -13.360 19.143 1.00 5.01 ? 217 PHE A CD1 1 ATOM 1607 C CD2 . PHE A 1 217 ? 1.249 -12.437 21.250 1.00 6.25 ? 217 PHE A CD2 1 ATOM 1608 C CE1 . PHE A 1 217 ? 1.516 -14.624 19.573 1.00 5.05 ? 217 PHE A CE1 1 ATOM 1609 C CE2 . PHE A 1 217 ? 0.869 -13.701 21.694 1.00 6.19 ? 217 PHE A CE2 1 ATOM 1610 C CZ . PHE A 1 217 ? 1.005 -14.795 20.856 1.00 5.18 ? 217 PHE A CZ 1 ATOM 1611 N N . MET A 1 218 ? 4.634 -9.508 17.738 1.00 5.14 ? 218 MET A N 1 ATOM 1612 C CA . MET A 1 218 ? 4.876 -8.425 16.792 1.00 5.21 ? 218 MET A CA 1 ATOM 1613 C C . MET A 1 218 ? 3.819 -8.405 15.704 1.00 5.13 ? 218 MET A C 1 ATOM 1614 O O . MET A 1 218 ? 3.548 -9.434 15.067 1.00 5.64 ? 218 MET A O 1 ATOM 1615 C CB . MET A 1 218 ? 6.226 -8.626 16.117 1.00 5.45 ? 218 MET A CB 1 ATOM 1616 C CG . MET A 1 218 ? 6.540 -7.514 15.104 1.00 7.09 ? 218 MET A CG 1 ATOM 1617 S SD . MET A 1 218 ? 7.860 -7.868 13.939 1.00 10.01 ? 218 MET A SD 1 ATOM 1618 C CE . MET A 1 218 ? 9.294 -7.823 15.001 1.00 8.49 ? 218 MET A CE 1 ATOM 1619 N N . ALA A 1 219 ? 3.236 -7.235 15.473 1.00 4.86 ? 219 ALA A N 1 ATOM 1620 C CA . ALA A 1 219 ? 2.502 -6.999 14.239 1.00 5.07 ? 219 ALA A CA 1 ATOM 1621 C C . ALA A 1 219 ? 3.447 -6.246 13.319 1.00 4.78 ? 219 ALA A C 1 ATOM 1622 O O . ALA A 1 219 ? 3.835 -5.110 13.605 1.00 5.00 ? 219 ALA A O 1 ATOM 1623 C CB . ALA A 1 219 ? 1.232 -6.205 14.491 1.00 5.67 ? 219 ALA A CB 1 ATOM 1624 N N . PHE A 1 220 ? 3.870 -6.917 12.250 1.00 4.54 ? 220 PHE A N 1 ATOM 1625 C CA . PHE A 1 220 ? 4.739 -6.296 11.262 1.00 4.33 ? 220 PHE A CA 1 ATOM 1626 C C . PHE A 1 220 ? 3.890 -5.850 10.087 1.00 4.87 ? 220 PHE A C 1 ATOM 1627 O O . PHE A 1 220 ? 3.039 -6.601 9.616 1.00 5.29 ? 220 PHE A O 1 ATOM 1628 C CB . PHE A 1 220 ? 5.822 -7.268 10.768 1.00 4.94 ? 220 PHE A CB 1 ATOM 1629 C CG . PHE A 1 220 ? 6.683 -6.675 9.687 1.00 5.42 ? 220 PHE A CG 1 ATOM 1630 C CD1 . PHE A 1 220 ? 7.725 -5.814 10.023 1.00 6.48 ? 220 PHE A CD1 1 ATOM 1631 C CD2 . PHE A 1 220 ? 6.405 -6.906 8.340 1.00 6.39 ? 220 PHE A CD2 1 ATOM 1632 C CE1 . PHE A 1 220 ? 8.504 -5.215 9.027 1.00 8.38 ? 220 PHE A CE1 1 ATOM 1633 C CE2 . PHE A 1 220 ? 7.167 -6.299 7.353 1.00 6.74 ? 220 PHE A CE2 1 ATOM 1634 C CZ . PHE A 1 220 ? 8.222 -5.466 7.703 1.00 7.56 ? 220 PHE A CZ 1 ATOM 1635 N N . ARG A 1 221 ? 4.120 -4.626 9.627 1.00 4.56 ? 221 ARG A N 1 ATOM 1636 C CA . ARG A 1 221 ? 3.431 -4.110 8.439 1.00 4.93 ? 221 ARG A CA 1 ATOM 1637 C C . ARG A 1 221 ? 4.421 -3.424 7.514 1.00 5.51 ? 221 ARG A C 1 ATOM 1638 O O . ARG A 1 221 ? 5.203 -2.580 7.954 1.00 5.34 ? 221 ARG A O 1 ATOM 1639 C CB . ARG A 1 221 ? 2.341 -3.106 8.824 1.00 5.33 ? 221 ARG A CB 1 ATOM 1640 C CG . ARG A 1 221 ? 1.273 -3.635 9.778 1.00 5.21 ? 221 ARG A CG 1 ATOM 1641 C CD . ARG A 1 221 ? 0.211 -4.418 9.033 1.00 5.54 ? 221 ARG A CD 1 ATOM 1642 N NE . ARG A 1 221 ? -0.846 -3.560 8.496 1.00 4.55 ? 221 ARG A NE 1 ATOM 1643 C CZ . ARG A 1 221 ? -1.710 -3.916 7.542 1.00 4.25 ? 221 ARG A CZ 1 ATOM 1644 N NH1 . ARG A 1 221 ? -1.616 -5.097 6.947 1.00 5.05 ? 221 ARG A NH1 1 ATOM 1645 N NH2 . ARG A 1 221 ? -2.646 -3.069 7.148 1.00 6.32 ? 221 ARG A NH2 1 ATOM 1646 N N . HIS A 1 222 ? 4.411 -3.803 6.238 1.00 5.13 ? 222 HIS A N 1 ATOM 1647 C CA . HIS A 1 222 ? 5.208 -3.108 5.243 1.00 5.73 ? 222 HIS A CA 1 ATOM 1648 C C . HIS A 1 222 ? 4.304 -2.083 4.552 1.00 5.27 ? 222 HIS A C 1 ATOM 1649 O O . HIS A 1 222 ? 3.412 -2.443 3.777 1.00 5.84 ? 222 HIS A O 1 ATOM 1650 C CB . HIS A 1 222 ? 5.818 -4.123 4.255 1.00 6.30 ? 222 HIS A CB 1 ATOM 1651 C CG . HIS A 1 222 ? 6.488 -3.503 3.071 1.00 7.18 ? 222 HIS A CG 1 ATOM 1652 N ND1 . HIS A 1 222 ? 6.761 -4.213 1.920 1.00 9.03 ? 222 HIS A ND1 1 ATOM 1653 C CD2 . HIS A 1 222 ? 6.938 -2.243 2.854 1.00 9.07 ? 222 HIS A CD2 1 ATOM 1654 C CE1 . HIS A 1 222 ? 7.351 -3.415 1.046 1.00 11.14 ? 222 HIS A CE1 1 ATOM 1655 N NE2 . HIS A 1 222 ? 7.462 -2.212 1.584 1.00 10.95 ? 222 HIS A NE2 1 ATOM 1656 N N . PHE A 1 223 ? 4.531 -0.805 4.865 1.00 5.10 ? 223 PHE A N 1 ATOM 1657 C CA . PHE A 1 223 ? 3.751 0.273 4.269 1.00 4.96 ? 223 PHE A CA 1 ATOM 1658 C C . PHE A 1 223 ? 4.546 1.041 3.228 1.00 5.50 ? 223 PHE A C 1 ATOM 1659 O O . PHE A 1 223 ? 5.658 1.492 3.502 1.00 6.47 ? 223 PHE A O 1 ATOM 1660 C CB . PHE A 1 223 ? 3.332 1.299 5.324 1.00 4.41 ? 223 PHE A CB 1 ATOM 1661 C CG . PHE A 1 223 ? 2.408 0.775 6.384 1.00 4.13 ? 223 PHE A CG 1 ATOM 1662 C CD1 . PHE A 1 223 ? 1.184 0.216 6.042 1.00 4.37 ? 223 PHE A CD1 1 ATOM 1663 C CD2 . PHE A 1 223 ? 2.721 0.938 7.733 1.00 4.62 ? 223 PHE A CD2 1 ATOM 1664 C CE1 . PHE A 1 223 ? 0.313 -0.224 7.028 1.00 5.10 ? 223 PHE A CE1 1 ATOM 1665 C CE2 . PHE A 1 223 ? 1.844 0.508 8.724 1.00 4.79 ? 223 PHE A CE2 1 ATOM 1666 C CZ . PHE A 1 223 ? 0.638 -0.071 8.366 1.00 5.54 ? 223 PHE A CZ 1 ATOM 1667 N N . GLN A 1 224 ? 3.965 1.203 2.046 1.00 5.97 ? 224 GLN A N 1 ATOM 1668 C CA . GLN A 1 224 ? 4.483 2.133 1.047 1.00 7.29 ? 224 GLN A CA 1 ATOM 1669 C C . GLN A 1 224 ? 3.793 3.482 1.249 1.00 7.20 ? 224 GLN A C 1 ATOM 1670 O O . GLN A 1 224 ? 2.580 3.533 1.426 1.00 7.63 ? 224 GLN A O 1 ATOM 1671 C CB . GLN A 1 224 ? 4.226 1.591 -0.366 1.00 8.02 ? 224 GLN A CB 1 ATOM 1672 C CG . GLN A 1 224 ? 4.833 2.482 -1.439 1.00 11.11 ? 224 GLN A CG 1 ATOM 1673 C CD . GLN A 1 224 ? 5.003 1.800 -2.786 1.00 14.43 ? 224 GLN A CD 1 ATOM 1674 O OE1 . GLN A 1 224 ? 4.783 0.597 -2.929 1.00 17.05 ? 224 GLN A OE1 1 ATOM 1675 N NE2 . GLN A 1 224 ? 5.417 2.576 -3.785 1.00 17.82 ? 224 GLN A NE2 1 ATOM 1676 N N . GLN A 1 225 ? 4.561 4.568 1.245 1.00 6.58 ? 225 GLN A N 1 ATOM 1677 C CA . GLN A 1 225 ? 3.986 5.898 1.450 1.00 6.64 ? 225 GLN A CA 1 ATOM 1678 C C . GLN A 1 225 ? 4.035 6.725 0.181 1.00 6.81 ? 225 GLN A C 1 ATOM 1679 O O . GLN A 1 225 ? 5.022 6.689 -0.564 1.00 7.88 ? 225 GLN A O 1 ATOM 1680 C CB . GLN A 1 225 ? 4.701 6.637 2.583 1.00 6.57 ? 225 GLN A CB 1 ATOM 1681 C CG . GLN A 1 225 ? 4.332 6.085 3.960 1.00 5.71 ? 225 GLN A CG 1 ATOM 1682 C CD . GLN A 1 225 ? 5.185 6.643 5.076 1.00 6.97 ? 225 GLN A CD 1 ATOM 1683 O OE1 . GLN A 1 225 ? 6.034 5.948 5.614 1.00 8.27 ? 225 GLN A OE1 1 ATOM 1684 N NE2 . GLN A 1 225 ? 4.948 7.899 5.448 1.00 7.16 ? 225 GLN A NE2 1 ATOM 1685 N N . LYS A 1 226 ? 2.960 7.487 -0.021 1.00 7.34 ? 226 LYS A N 1 ATOM 1686 C CA . LYS A 1 226 ? 2.795 8.346 -1.188 1.00 7.47 ? 226 LYS A CA 1 ATOM 1687 C C . LYS A 1 226 ? 2.991 9.805 -0.782 1.00 7.13 ? 226 LYS A C 1 ATOM 1688 O O . LYS A 1 226 ? 2.016 10.526 -0.469 1.00 6.89 ? 226 LYS A O 1 ATOM 1689 C CB . LYS A 1 226 ? 1.414 8.125 -1.800 1.00 8.26 ? 226 LYS A CB 1 ATOM 1690 C CG . LYS A 1 226 ? 1.104 6.664 -2.153 1.00 10.69 ? 226 LYS A CG 1 ATOM 1691 C CD . LYS A 1 226 ? 1.988 6.154 -3.280 1.00 17.47 ? 226 LYS A CD 1 ATOM 1692 C CE . LYS A 1 226 ? 1.383 4.937 -3.963 1.00 20.79 ? 226 LYS A CE 1 ATOM 1693 N NZ . LYS A 1 226 ? 2.145 4.566 -5.194 1.00 23.99 ? 226 LYS A NZ 1 ATOM 1694 N N . VAL A 1 227 ? 4.257 10.223 -0.773 1.00 6.87 ? 227 VAL A N 1 ATOM 1695 C CA . VAL A 1 227 ? 4.664 11.495 -0.171 1.00 7.21 ? 227 VAL A CA 1 ATOM 1696 C C . VAL A 1 227 ? 4.318 12.716 -1.044 1.00 7.46 ? 227 VAL A C 1 ATOM 1697 O O . VAL A 1 227 ? 3.734 13.671 -0.527 1.00 7.17 ? 227 VAL A O 1 ATOM 1698 C CB . VAL A 1 227 ? 6.151 11.480 0.272 1.00 7.37 ? 227 VAL A CB 1 ATOM 1699 C CG1 . VAL A 1 227 ? 6.567 12.818 0.842 1.00 7.49 ? 227 VAL A CG1 1 ATOM 1700 C CG2 . VAL A 1 227 ? 6.393 10.359 1.301 1.00 8.16 ? 227 VAL A CG2 1 ATOM 1701 N N . PRO A 1 228 ? 4.651 12.690 -2.357 1.00 7.91 ? 228 PRO A N 1 ATOM 1702 C CA . PRO A 1 228 ? 4.219 13.819 -3.185 1.00 8.23 ? 228 PRO A CA 1 ATOM 1703 C C . PRO A 1 228 ? 2.711 13.990 -3.182 1.00 8.59 ? 228 PRO A C 1 ATOM 1704 O O . PRO A 1 228 ? 2.221 15.131 -3.166 1.00 8.53 ? 228 PRO A O 1 ATOM 1705 C CB . PRO A 1 228 ? 4.697 13.418 -4.580 1.00 8.78 ? 228 PRO A CB 1 ATOM 1706 C CG . PRO A 1 228 ? 5.904 12.607 -4.317 1.00 8.32 ? 228 PRO A CG 1 ATOM 1707 C CD . PRO A 1 228 ? 5.522 11.776 -3.119 1.00 8.28 ? 228 PRO A CD 1 ATOM 1708 N N . GLU A 1 229 ? 1.989 12.870 -3.164 1.00 8.53 ? 229 GLU A N 1 ATOM 1709 C CA . GLU A 1 229 ? 0.524 12.892 -3.121 1.00 8.52 ? 229 GLU A CA 1 ATOM 1710 C C . GLU A 1 229 ? -0.023 13.517 -1.836 1.00 8.14 ? 229 GLU A C 1 ATOM 1711 O O . GLU A 1 229 ? -0.935 14.347 -1.884 1.00 8.00 ? 229 GLU A O 1 ATOM 1712 C CB . GLU A 1 229 ? -0.055 11.487 -3.317 1.00 9.13 ? 229 GLU A CB 1 ATOM 1713 C CG . GLU A 1 229 ? 0.157 10.918 -4.714 1.00 9.75 ? 229 GLU A CG 1 ATOM 1714 C CD . GLU A 1 229 ? 1.507 10.235 -4.938 1.00 9.88 ? 229 GLU A CD 1 ATOM 1715 O OE1 . GLU A 1 229 ? 2.442 10.331 -4.109 1.00 8.77 ? 229 GLU A OE1 1 ATOM 1716 O OE2 . GLU A 1 229 ? 1.641 9.590 -6.003 1.00 11.63 ? 229 GLU A OE2 1 ATOM 1717 N N . PHE A 1 230 ? 0.529 13.115 -0.693 1.00 7.79 ? 230 PHE A N 1 ATOM 1718 C CA . PHE A 1 230 ? 0.181 13.709 0.594 1.00 7.56 ? 230 PHE A CA 1 ATOM 1719 C C . PHE A 1 230 ? 0.427 15.219 0.569 1.00 8.06 ? 230 PHE A C 1 ATOM 1720 O O . PHE A 1 230 ? -0.447 16.006 0.936 1.00 7.76 ? 230 PHE A O 1 ATOM 1721 C CB . PHE A 1 230 ? 1.013 13.033 1.701 1.00 7.30 ? 230 PHE A CB 1 ATOM 1722 C CG . PHE A 1 230 ? 0.832 13.632 3.066 1.00 7.55 ? 230 PHE A CG 1 ATOM 1723 C CD1 . PHE A 1 230 ? -0.170 13.175 3.908 1.00 10.38 ? 230 PHE A CD1 1 ATOM 1724 C CD2 . PHE A 1 230 ? 1.697 14.613 3.526 1.00 8.96 ? 230 PHE A CD2 1 ATOM 1725 C CE1 . PHE A 1 230 ? -0.329 13.722 5.195 1.00 10.41 ? 230 PHE A CE1 1 ATOM 1726 C CE2 . PHE A 1 230 ? 1.542 15.169 4.800 1.00 9.68 ? 230 PHE A CE2 1 ATOM 1727 C CZ . PHE A 1 230 ? 0.535 14.721 5.630 1.00 10.15 ? 230 PHE A CZ 1 ATOM 1728 N N . ASN A 1 231 ? 1.611 15.613 0.112 1.00 8.57 ? 231 ASN A N 1 ATOM 1729 C CA . ASN A 1 231 ? 1.985 17.021 0.054 1.00 9.57 ? 231 ASN A CA 1 ATOM 1730 C C . ASN A 1 231 ? 1.024 17.807 -0.832 1.00 9.04 ? 231 ASN A C 1 ATOM 1731 O O . ASN A 1 231 ? 0.533 18.868 -0.430 1.00 9.51 ? 231 ASN A O 1 ATOM 1732 C CB . ASN A 1 231 ? 3.413 17.165 -0.469 1.00 9.98 ? 231 ASN A CB 1 ATOM 1733 C CG . ASN A 1 231 ? 3.913 18.593 -0.406 1.00 14.13 ? 231 ASN A CG 1 ATOM 1734 O OD1 . ASN A 1 231 ? 4.037 19.268 -1.433 1.00 19.45 ? 231 ASN A OD1 1 ATOM 1735 N ND2 . ASN A 1 231 ? 4.193 19.067 0.802 1.00 16.66 ? 231 ASN A ND2 1 ATOM 1736 N N . ALA A 1 232 ? 0.738 17.281 -2.023 1.00 8.55 ? 232 ALA A N 1 ATOM 1737 C CA . ALA A 1 232 ? -0.210 17.917 -2.938 1.00 8.50 ? 232 ALA A CA 1 ATOM 1738 C C . ALA A 1 232 ? -1.597 18.073 -2.328 1.00 8.15 ? 232 ALA A C 1 ATOM 1739 O O . ALA A 1 232 ? -2.245 19.112 -2.500 1.00 8.39 ? 232 ALA A O 1 ATOM 1740 C CB . ALA A 1 232 ? -0.295 17.141 -4.240 1.00 8.31 ? 232 ALA A CB 1 ATOM 1741 N N . TYR A 1 233 ? -2.052 17.039 -1.623 1.00 7.01 ? 233 TYR A N 1 ATOM 1742 C CA . TYR A 1 233 ? -3.353 17.086 -0.969 1.00 7.14 ? 233 TYR A CA 1 ATOM 1743 C C . TYR A 1 233 ? -3.404 18.200 0.086 1.00 7.14 ? 233 TYR A C 1 ATOM 1744 O O . TYR A 1 233 ? -4.390 18.922 0.176 1.00 7.92 ? 233 TYR A O 1 ATOM 1745 C CB . TYR A 1 233 ? -3.706 15.729 -0.331 1.00 7.44 ? 233 TYR A CB 1 ATOM 1746 C CG . TYR A 1 233 ? -5.051 15.742 0.339 1.00 8.36 ? 233 TYR A CG 1 ATOM 1747 C CD1 . TYR A 1 233 ? -6.224 15.542 -0.395 1.00 9.51 ? 233 TYR A CD1 1 ATOM 1748 C CD2 . TYR A 1 233 ? -5.162 15.995 1.704 1.00 9.20 ? 233 TYR A CD2 1 ATOM 1749 C CE1 . TYR A 1 233 ? -7.472 15.580 0.212 1.00 10.18 ? 233 TYR A CE1 1 ATOM 1750 C CE2 . TYR A 1 233 ? -6.413 16.038 2.326 1.00 10.06 ? 233 TYR A CE2 1 ATOM 1751 C CZ . TYR A 1 233 ? -7.559 15.833 1.571 1.00 10.74 ? 233 TYR A CZ 1 ATOM 1752 O OH . TYR A 1 233 ? -8.808 15.873 2.156 1.00 12.20 ? 233 TYR A OH 1 ATOM 1753 N N . THR A 1 234 ? -2.355 18.337 0.892 1.00 7.22 ? 234 THR A N 1 ATOM 1754 C CA . THR A 1 234 ? -2.359 19.372 1.927 1.00 7.31 ? 234 THR A CA 1 ATOM 1755 C C . THR A 1 234 ? -2.364 20.769 1.310 1.00 6.88 ? 234 THR A C 1 ATOM 1756 O O . THR A 1 234 ? -2.991 21.681 1.855 1.00 6.96 ? 234 THR A O 1 ATOM 1757 C CB . THR A 1 234 ? -1.186 19.247 2.956 1.00 7.40 ? 234 THR A CB 1 ATOM 1758 O OG1 . THR A 1 234 ? 0.081 19.462 2.314 1.00 8.93 ? 234 THR A OG1 1 ATOM 1759 C CG2 . THR A 1 234 ? -1.206 17.893 3.682 1.00 8.44 ? 234 THR A CG2 1 ATOM 1760 N N . LEU A 1 235 ? -1.697 20.929 0.168 1.00 7.44 ? 235 LEU A N 1 ATOM 1761 C CA . LEU A 1 235 ? -1.672 22.228 -0.492 1.00 7.80 ? 235 LEU A CA 1 ATOM 1762 C C . LEU A 1 235 ? -3.020 22.538 -1.114 1.00 8.19 ? 235 LEU A C 1 ATOM 1763 O O . LEU A 1 235 ? -3.514 23.671 -0.999 1.00 8.03 ? 235 LEU A O 1 ATOM 1764 C CB . LEU A 1 235 ? -0.564 22.286 -1.546 1.00 8.07 ? 235 LEU A CB 1 ATOM 1765 C CG . LEU A 1 235 ? 0.848 22.408 -0.978 1.00 8.47 ? 235 LEU A CG 1 ATOM 1766 C CD1 . LEU A 1 235 ? 1.867 22.013 -2.044 1.00 11.07 ? 235 LEU A CD1 1 ATOM 1767 C CD2 . LEU A 1 235 ? 1.119 23.821 -0.450 1.00 9.52 ? 235 LEU A CD2 1 ATOM 1768 N N . ALA A 1 236 ? -3.632 21.536 -1.750 1.00 8.53 ? 236 ALA A N 1 ATOM 1769 C CA . ALA A 1 236 ? -4.939 21.707 -2.392 1.00 8.71 ? 236 ALA A CA 1 ATOM 1770 C C . ALA A 1 236 ? -6.054 21.967 -1.389 1.00 9.06 ? 236 ALA A C 1 ATOM 1771 O O . ALA A 1 236 ? -7.092 22.546 -1.731 1.00 10.36 ? 236 ALA A O 1 ATOM 1772 C CB . ALA A 1 236 ? -5.282 20.493 -3.243 1.00 9.28 ? 236 ALA A CB 1 ATOM 1773 N N . ASN A 1 237 ? -5.853 21.530 -0.148 1.00 8.02 ? 237 ASN A N 1 ATOM 1774 C CA . ASN A 1 237 ? -6.896 21.662 0.864 1.00 8.02 ? 237 ASN A CA 1 ATOM 1775 C C . ASN A 1 237 ? -6.448 22.490 2.058 1.00 7.46 ? 237 ASN A C 1 ATOM 1776 O O . ASN A 1 237 ? -7.014 22.392 3.158 1.00 8.04 ? 237 ASN A O 1 ATOM 1777 C CB . ASN A 1 237 ? -7.387 20.284 1.286 1.00 8.16 ? 237 ASN A CB 1 ATOM 1778 C CG . ASN A 1 237 ? -8.032 19.550 0.149 1.00 9.63 ? 237 ASN A CG 1 ATOM 1779 O OD1 . ASN A 1 237 ? -9.211 19.758 -0.136 1.00 12.84 ? 237 ASN A OD1 1 ATOM 1780 N ND2 . ASN A 1 237 ? -7.260 18.722 -0.541 1.00 9.92 ? 237 ASN A ND2 1 ATOM 1781 N N . ALA A 1 238 ? -5.432 23.319 1.830 1.00 6.93 ? 238 ALA A N 1 ATOM 1782 C CA . ALA A 1 238 ? -4.838 24.144 2.874 1.00 6.89 ? 238 ALA A CA 1 ATOM 1783 C C . ALA A 1 238 ? -5.901 24.871 3.672 1.00 7.07 ? 238 ALA A C 1 ATOM 1784 O O . ALA A 1 238 ? -6.829 25.462 3.103 1.00 7.62 ? 238 ALA A O 1 ATOM 1785 C CB . ALA A 1 238 ? -3.873 25.142 2.259 1.00 7.03 ? 238 ALA A CB 1 ATOM 1786 N N . ILE A 1 239 ? -5.768 24.817 4.991 1.00 7.00 ? 239 ILE A N 1 ATOM 1787 C CA . ILE A 1 239 ? -6.718 25.475 5.884 1.00 7.35 ? 239 ILE A CA 1 ATOM 1788 C C . ILE A 1 239 ? -6.545 26.990 5.771 1.00 7.22 ? 239 ILE A C 1 ATOM 1789 O O . ILE A 1 239 ? -5.424 27.479 5.892 1.00 7.61 ? 239 ILE A O 1 ATOM 1790 C CB . ILE A 1 239 ? -6.533 24.966 7.335 1.00 7.24 ? 239 ILE A CB 1 ATOM 1791 C CG1 . ILE A 1 239 ? -6.999 23.506 7.417 1.00 8.67 ? 239 ILE A CG1 1 ATOM 1792 C CG2 . ILE A 1 239 ? -7.289 25.830 8.346 1.00 7.43 ? 239 ILE A CG2 1 ATOM 1793 C CD1 . ILE A 1 239 ? -6.576 22.763 8.659 1.00 12.78 ? 239 ILE A CD1 1 ATOM 1794 N N . PRO A 1 240 ? -7.642 27.730 5.501 1.00 7.36 ? 240 PRO A N 1 ATOM 1795 C CA . PRO A 1 240 ? -7.491 29.171 5.237 1.00 7.83 ? 240 PRO A CA 1 ATOM 1796 C C . PRO A 1 240 ? -7.095 30.002 6.453 1.00 7.66 ? 240 PRO A C 1 ATOM 1797 O O . PRO A 1 240 ? -6.401 31.004 6.299 1.00 8.21 ? 240 PRO A O 1 ATOM 1798 C CB . PRO A 1 240 ? -8.881 29.594 4.745 1.00 8.14 ? 240 PRO A CB 1 ATOM 1799 C CG . PRO A 1 240 ? -9.605 28.331 4.411 1.00 9.98 ? 240 PRO A CG 1 ATOM 1800 C CD . PRO A 1 240 ? -9.015 27.259 5.252 1.00 7.56 ? 240 PRO A CD 1 ATOM 1801 N N . ALA A 1 241 ? -7.531 29.590 7.641 1.00 7.09 ? 241 ALA A N 1 ATOM 1802 C CA . ALA A 1 241 ? -7.334 30.389 8.845 1.00 6.88 ? 241 ALA A CA 1 ATOM 1803 C C . ALA A 1 241 ? -7.490 29.499 10.061 1.00 6.60 ? 241 ALA A C 1 ATOM 1804 O O . ALA A 1 241 ? -8.165 28.474 10.019 1.00 7.56 ? 241 ALA A O 1 ATOM 1805 C CB . ALA A 1 241 ? -8.365 31.509 8.909 1.00 6.94 ? 241 ALA A CB 1 ATOM 1806 N N . ASN A 1 242 ? -6.870 29.912 11.154 1.00 6.52 ? 242 ASN A N 1 ATOM 1807 C CA . ASN A 1 242 ? -7.197 29.318 12.442 1.00 6.38 ? 242 ASN A CA 1 ATOM 1808 C C . ASN A 1 242 ? -7.427 30.423 13.459 1.00 6.85 ? 242 ASN A C 1 ATOM 1809 O O . ASN A 1 242 ? -7.536 31.594 13.080 1.00 7.20 ? 242 ASN A O 1 ATOM 1810 C CB . ASN A 1 242 ? -6.176 28.245 12.880 1.00 6.82 ? 242 ASN A CB 1 ATOM 1811 C CG . ASN A 1 242 ? -4.775 28.780 13.089 1.00 6.46 ? 242 ASN A CG 1 ATOM 1812 O OD1 . ASN A 1 242 ? -4.565 29.943 13.457 1.00 7.90 ? 242 ASN A OD1 1 ATOM 1813 N ND2 . ASN A 1 242 ? -3.785 27.902 12.880 1.00 7.76 ? 242 ASN A ND2 1 ATOM 1814 N N . SER A 1 243 ? -7.545 30.058 14.729 1.00 7.13 ? 243 SER A N 1 ATOM 1815 C CA . SER A 1 243 ? -7.870 31.034 15.770 1.00 7.71 ? 243 SER A CA 1 ATOM 1816 C C . SER A 1 243 ? -6.935 32.230 15.796 1.00 8.15 ? 243 SER A C 1 ATOM 1817 O O . SER A 1 243 ? -7.362 33.336 16.117 1.00 8.99 ? 243 SER A O 1 ATOM 1818 C CB . SER A 1 243 ? -7.844 30.363 17.145 1.00 7.14 ? 243 SER A CB 1 ATOM 1819 O OG . SER A 1 243 ? -8.871 29.383 17.257 1.00 8.55 ? 243 SER A OG 1 ATOM 1820 N N . ALA A 1 244 ? -5.669 31.997 15.463 1.00 8.78 ? 244 ALA A N 1 ATOM 1821 C CA . ALA A 1 244 ? -4.630 33.006 15.576 1.00 9.72 ? 244 ALA A CA 1 ATOM 1822 C C . ALA A 1 244 ? -4.710 34.012 14.435 1.00 10.10 ? 244 ALA A C 1 ATOM 1823 O O . ALA A 1 244 ? -4.237 35.147 14.564 1.00 10.94 ? 244 ALA A O 1 ATOM 1824 C CB . ALA A 1 244 ? -3.268 32.346 15.619 1.00 10.05 ? 244 ALA A CB 1 ATOM 1825 N N . GLY A 1 245 ? -5.309 33.593 13.320 1.00 10.14 ? 245 GLY A N 1 ATOM 1826 C CA . GLY A 1 245 ? -5.469 34.455 12.147 1.00 10.86 ? 245 GLY A CA 1 ATOM 1827 C C . GLY A 1 245 ? -5.425 33.706 10.826 1.00 10.60 ? 245 GLY A C 1 ATOM 1828 O O . GLY A 1 245 ? -5.481 32.471 10.778 1.00 10.15 ? 245 GLY A O 1 ATOM 1829 N N . ASN A 1 246 ? -5.343 34.474 9.748 1.00 10.49 ? 246 ASN A N 1 ATOM 1830 C CA . ASN A 1 246 ? -5.239 33.915 8.415 1.00 10.84 ? 246 ASN A CA 1 ATOM 1831 C C . ASN A 1 246 ? -3.916 33.231 8.193 1.00 10.17 ? 246 ASN A C 1 ATOM 1832 O O . ASN A 1 246 ? -2.882 33.642 8.725 1.00 11.02 ? 246 ASN A O 1 ATOM 1833 C CB . ASN A 1 246 ? -5.354 35.023 7.389 1.00 11.48 ? 246 ASN A CB 1 ATOM 1834 C CG . ASN A 1 246 ? -6.755 35.486 7.195 1.00 13.90 ? 246 ASN A CG 1 ATOM 1835 O OD1 . ASN A 1 246 ? -7.722 34.802 7.543 1.00 16.09 ? 246 ASN A OD1 1 ATOM 1836 N ND2 . ASN A 1 246 ? -6.884 36.676 6.624 1.00 17.75 ? 246 ASN A ND2 1 ATOM 1837 N N . LEU A 1 247 ? -3.956 32.196 7.360 1.00 9.35 ? 247 LEU A N 1 ATOM 1838 C CA . LEU A 1 247 ? -2.774 31.428 7.030 1.00 8.61 ? 247 LEU A CA 1 ATOM 1839 C C . LEU A 1 247 ? -2.417 31.611 5.567 1.00 8.35 ? 247 LEU A C 1 ATOM 1840 O O . LEU A 1 247 ? -3.304 31.663 4.712 1.00 9.17 ? 247 LEU A O 1 ATOM 1841 C CB . LEU A 1 247 ? -3.008 29.946 7.335 1.00 8.75 ? 247 LEU A CB 1 ATOM 1842 C CG . LEU A 1 247 ? -3.372 29.648 8.796 1.00 8.67 ? 247 LEU A CG 1 ATOM 1843 C CD1 . LEU A 1 247 ? -3.747 28.184 8.967 1.00 8.63 ? 247 LEU A CD1 1 ATOM 1844 C CD2 . LEU A 1 247 ? -2.230 30.034 9.750 1.00 9.88 ? 247 LEU A CD2 1 ATOM 1845 N N . THR A 1 248 ? -1.124 31.706 5.273 1.00 7.50 ? 248 THR A N 1 ATOM 1846 C CA . THR A 1 248 ? -0.688 31.607 3.878 1.00 7.42 ? 248 THR A CA 1 ATOM 1847 C C . THR A 1 248 ? -1.018 30.187 3.423 1.00 6.83 ? 248 THR A C 1 ATOM 1848 O O . THR A 1 248 ? -1.269 29.312 4.254 1.00 6.89 ? 248 THR A O 1 ATOM 1849 C CB . THR A 1 248 ? 0.820 31.835 3.702 1.00 7.34 ? 248 THR A CB 1 ATOM 1850 O OG1 . THR A 1 248 ? 1.546 30.783 4.351 1.00 7.18 ? 248 THR A OG1 1 ATOM 1851 C CG2 . THR A 1 248 ? 1.259 33.192 4.272 1.00 7.81 ? 248 THR A CG2 1 ATOM 1852 N N . GLN A 1 249 ? -1.041 29.937 2.121 1.00 6.48 ? 249 GLN A N 1 ATOM 1853 C CA . GLN A 1 249 ? -1.286 28.572 1.663 1.00 6.78 ? 249 GLN A CA 1 ATOM 1854 C C . GLN A 1 249 ? -0.286 27.581 2.267 1.00 6.80 ? 249 GLN A C 1 ATOM 1855 O O . GLN A 1 249 ? -0.685 26.505 2.724 1.00 6.79 ? 249 GLN A O 1 ATOM 1856 C CB . GLN A 1 249 ? -1.255 28.468 0.144 1.00 7.10 ? 249 GLN A CB 1 ATOM 1857 C CG . GLN A 1 249 ? -1.636 27.077 -0.343 1.00 8.16 ? 249 GLN A CG 1 ATOM 1858 C CD . GLN A 1 249 ? -1.444 26.905 -1.824 1.00 8.10 ? 249 GLN A CD 1 ATOM 1859 O OE1 . GLN A 1 249 ? -0.751 27.697 -2.462 1.00 8.51 ? 249 GLN A OE1 1 ATOM 1860 N NE2 . GLN A 1 249 ? -2.052 25.862 -2.385 1.00 9.11 ? 249 GLN A NE2 1 ATOM 1861 N N . GLN A 1 250 ? 0.996 27.936 2.276 1.00 6.95 ? 250 GLN A N 1 ATOM 1862 C CA . GLN A 1 250 ? 2.008 27.035 2.801 1.00 7.76 ? 250 GLN A CA 1 ATOM 1863 C C . GLN A 1 250 ? 1.723 26.746 4.278 1.00 7.42 ? 250 GLN A C 1 ATOM 1864 O O . GLN A 1 250 ? 1.798 25.582 4.711 1.00 7.29 ? 250 GLN A O 1 ATOM 1865 C CB . GLN A 1 250 ? 3.411 27.619 2.629 1.00 8.16 ? 250 GLN A CB 1 ATOM 1866 C CG . GLN A 1 250 ? 4.520 26.622 2.999 1.00 13.26 ? 250 GLN A CG 1 ATOM 1867 C CD . GLN A 1 250 ? 4.490 25.351 2.142 1.00 17.88 ? 250 GLN A CD 1 ATOM 1868 O OE1 . GLN A 1 250 ? 4.390 25.414 0.913 1.00 22.04 ? 250 GLN A OE1 1 ATOM 1869 N NE2 . GLN A 1 250 ? 4.578 24.191 2.795 1.00 20.68 ? 250 GLN A NE2 1 ATOM 1870 N N . GLU A 1 251 ? 1.388 27.792 5.040 1.00 6.71 ? 251 GLU A N 1 ATOM 1871 C CA . GLU A 1 251 ? 1.059 27.639 6.465 1.00 7.07 ? 251 GLU A CA 1 ATOM 1872 C C . GLU A 1 251 ? -0.184 26.768 6.643 1.00 6.46 ? 251 GLU A C 1 ATOM 1873 O O . GLU A 1 251 ? -0.238 25.928 7.551 1.00 7.28 ? 251 GLU A O 1 ATOM 1874 C CB . GLU A 1 251 ? 0.840 28.992 7.146 1.00 6.90 ? 251 GLU A CB 1 ATOM 1875 C CG . GLU A 1 251 ? 2.103 29.812 7.354 1.00 8.99 ? 251 GLU A CG 1 ATOM 1876 C CD . GLU A 1 251 ? 1.832 31.247 7.794 1.00 11.51 ? 251 GLU A CD 1 ATOM 1877 O OE1 . GLU A 1 251 ? 0.711 31.767 7.594 1.00 10.69 ? 251 GLU A OE1 1 ATOM 1878 O OE2 . GLU A 1 251 ? 2.763 31.858 8.367 1.00 15.79 ? 251 GLU A OE2 1 ATOM 1879 N N . GLY A 1 252 ? -1.190 26.960 5.787 1.00 6.31 ? 252 GLY A N 1 ATOM 1880 C CA . GLY A 1 252 ? -2.432 26.192 5.862 1.00 6.12 ? 252 GLY A CA 1 ATOM 1881 C C . GLY A 1 252 ? -2.240 24.725 5.503 1.00 6.01 ? 252 GLY A C 1 ATOM 1882 O O . GLY A 1 252 ? -2.939 23.856 6.024 1.00 6.15 ? 252 GLY A O 1 ATOM 1883 N N . ALA A 1 253 ? -1.300 24.455 4.601 1.00 6.13 ? 253 ALA A N 1 ATOM 1884 C CA . ALA A 1 253 ? -0.940 23.094 4.218 1.00 5.77 ? 253 ALA A CA 1 ATOM 1885 C C . ALA A 1 253 ? -0.192 22.396 5.343 1.00 5.74 ? 253 ALA A C 1 ATOM 1886 O O . ALA A 1 253 ? -0.510 21.258 5.694 1.00 5.60 ? 253 ALA A O 1 ATOM 1887 C CB . ALA A 1 253 ? -0.105 23.106 2.936 1.00 6.85 ? 253 ALA A CB 1 ATOM 1888 N N . GLU A 1 254 ? 0.791 23.080 5.924 1.00 5.96 ? 254 GLU A N 1 ATOM 1889 C CA . GLU A 1 254 ? 1.493 22.537 7.087 1.00 6.50 ? 254 GLU A CA 1 ATOM 1890 C C . GLU A 1 254 ? 0.512 22.266 8.220 1.00 5.76 ? 254 GLU A C 1 ATOM 1891 O O . GLU A 1 254 ? 0.572 21.215 8.864 1.00 6.27 ? 254 GLU A O 1 ATOM 1892 C CB . GLU A 1 254 ? 2.604 23.476 7.562 1.00 7.12 ? 254 GLU A CB 1 ATOM 1893 C CG . GLU A 1 254 ? 3.741 23.682 6.550 1.00 11.24 ? 254 GLU A CG 1 ATOM 1894 C CD . GLU A 1 254 ? 4.571 22.432 6.231 1.00 17.15 ? 254 GLU A CD 1 ATOM 1895 O OE1 . GLU A 1 254 ? 5.372 22.503 5.273 1.00 20.89 ? 254 GLU A OE1 1 ATOM 1896 O OE2 . GLU A 1 254 ? 4.446 21.383 6.905 1.00 18.55 ? 254 GLU A OE2 1 ATOM 1897 N N . PHE A 1 255 ? -0.396 23.209 8.452 1.00 5.19 ? 255 PHE A N 1 ATOM 1898 C CA . PHE A 1 255 ? -1.378 23.064 9.521 1.00 5.00 ? 255 PHE A CA 1 ATOM 1899 C C . PHE A 1 255 ? -2.310 21.882 9.254 1.00 5.33 ? 255 PHE A C 1 ATOM 1900 O O . PHE A 1 255 ? -2.593 21.094 10.162 1.00 5.20 ? 255 PHE A O 1 ATOM 1901 C CB . PHE A 1 255 ? -2.165 24.369 9.665 1.00 5.06 ? 255 PHE A CB 1 ATOM 1902 C CG . PHE A 1 255 ? -3.150 24.391 10.806 1.00 5.18 ? 255 PHE A CG 1 ATOM 1903 C CD1 . PHE A 1 255 ? -2.770 24.071 12.114 1.00 5.76 ? 255 PHE A CD1 1 ATOM 1904 C CD2 . PHE A 1 255 ? -4.456 24.794 10.571 1.00 6.10 ? 255 PHE A CD2 1 ATOM 1905 C CE1 . PHE A 1 255 ? -3.712 24.140 13.166 1.00 4.44 ? 255 PHE A CE1 1 ATOM 1906 C CE2 . PHE A 1 255 ? -5.402 24.867 11.606 1.00 7.18 ? 255 PHE A CE2 1 ATOM 1907 C CZ . PHE A 1 255 ? -5.031 24.537 12.897 1.00 5.62 ? 255 PHE A CZ 1 ATOM 1908 N N . LEU A 1 256 ? -2.759 21.722 8.011 1.00 5.24 ? 256 LEU A N 1 ATOM 1909 C CA . LEU A 1 256 ? -3.621 20.585 7.689 1.00 5.18 ? 256 LEU A CA 1 ATOM 1910 C C . LEU A 1 256 ? -2.921 19.250 7.976 1.00 4.79 ? 256 LEU A C 1 ATOM 1911 O O . LEU A 1 256 ? -3.529 18.343 8.546 1.00 5.17 ? 256 LEU A O 1 ATOM 1912 C CB . LEU A 1 256 ? -4.113 20.655 6.243 1.00 5.34 ? 256 LEU A CB 1 ATOM 1913 C CG . LEU A 1 256 ? -5.010 19.496 5.810 1.00 5.88 ? 256 LEU A CG 1 ATOM 1914 C CD1 . LEU A 1 256 ? -6.262 19.375 6.647 1.00 8.05 ? 256 LEU A CD1 1 ATOM 1915 C CD2 . LEU A 1 256 ? -5.402 19.621 4.337 1.00 7.94 ? 256 LEU A CD2 1 ATOM 1916 N N . GLY A 1 257 ? -1.641 19.136 7.619 1.00 4.91 ? 257 GLY A N 1 ATOM 1917 C CA . GLY A 1 257 ? -0.880 17.931 7.938 1.00 5.10 ? 257 GLY A CA 1 ATOM 1918 C C . GLY A 1 257 ? -0.826 17.673 9.440 1.00 4.65 ? 257 GLY A C 1 ATOM 1919 O O . GLY A 1 257 ? -1.021 16.539 9.882 1.00 4.67 ? 257 GLY A O 1 ATOM 1920 N N . ALA A 1 258 ? -0.613 18.730 10.224 1.00 4.27 ? 258 ALA A N 1 ATOM 1921 C CA . ALA A 1 258 ? -0.586 18.614 11.681 1.00 4.61 ? 258 ALA A CA 1 ATOM 1922 C C . ALA A 1 258 ? -1.959 18.214 12.235 1.00 4.68 ? 258 ALA A C 1 ATOM 1923 O O . ALA A 1 258 ? -2.043 17.450 13.209 1.00 5.27 ? 258 ALA A O 1 ATOM 1924 C CB . ALA A 1 258 ? -0.104 19.926 12.302 1.00 4.62 ? 258 ALA A CB 1 ATOM 1925 N N . ARG A 1 259 ? -3.030 18.694 11.602 1.00 4.60 ? 259 ARG A N 1 ATOM 1926 C CA . ARG A 1 259 ? -4.383 18.349 12.027 1.00 4.52 ? 259 ARG A CA 1 ATOM 1927 C C . ARG A 1 259 ? -4.690 16.881 11.767 1.00 4.78 ? 259 ARG A C 1 ATOM 1928 O O . ARG A 1 259 ? -5.402 16.236 12.554 1.00 4.63 ? 259 ARG A O 1 ATOM 1929 C CB . ARG A 1 259 ? -5.397 19.255 11.321 1.00 4.34 ? 259 ARG A CB 1 ATOM 1930 C CG . ARG A 1 259 ? -5.286 20.721 11.722 1.00 4.49 ? 259 ARG A CG 1 ATOM 1931 C CD . ARG A 1 259 ? -5.866 20.992 13.121 1.00 4.72 ? 259 ARG A CD 1 ATOM 1932 N NE . ARG A 1 259 ? -7.323 20.927 13.081 1.00 5.16 ? 259 ARG A NE 1 ATOM 1933 C CZ . ARG A 1 259 ? -8.099 21.148 14.140 1.00 5.30 ? 259 ARG A CZ 1 ATOM 1934 N NH1 . ARG A 1 259 ? -7.548 21.436 15.309 1.00 5.51 ? 259 ARG A NH1 1 ATOM 1935 N NH2 . ARG A 1 259 ? -9.420 21.062 14.023 1.00 5.23 ? 259 ARG A NH2 1 ATOM 1936 N N . MET A 1 260 ? -4.155 16.350 10.670 1.00 5.04 ? 260 MET A N 1 ATOM 1937 C CA . MET A 1 260 ? -4.355 14.947 10.315 1.00 4.88 ? 260 MET A CA 1 ATOM 1938 C C . MET A 1 260 ? -3.611 14.004 11.260 1.00 4.31 ? 260 MET A C 1 ATOM 1939 O O . MET A 1 260 ? -4.119 12.929 11.607 1.00 4.52 ? 260 MET A O 1 ATOM 1940 C CB . MET A 1 260 ? -3.915 14.704 8.865 1.00 5.46 ? 260 MET A CB 1 ATOM 1941 C CG . MET A 1 260 ? -4.755 15.490 7.861 1.00 4.77 ? 260 MET A CG 1 ATOM 1942 S SD . MET A 1 260 ? -3.985 15.658 6.214 1.00 10.99 ? 260 MET A SD 1 ATOM 1943 C CE . MET A 1 260 ? -4.311 14.030 5.575 1.00 11.72 ? 260 MET A CE 1 ATOM 1944 N N . PHE A 1 261 ? -2.413 14.408 11.677 1.00 4.02 ? 261 PHE A N 1 ATOM 1945 C CA . PHE A 1 261 ? -1.603 13.580 12.587 1.00 4.07 ? 261 PHE A CA 1 ATOM 1946 C C . PHE A 1 261 ? -1.906 13.761 14.066 1.00 4.07 ? 261 PHE A C 1 ATOM 1947 O O . PHE A 1 261 ? -1.831 12.797 14.835 1.00 4.37 ? 261 PHE A O 1 ATOM 1948 C CB . PHE A 1 261 ? -0.110 13.787 12.331 1.00 4.42 ? 261 PHE A CB 1 ATOM 1949 C CG . PHE A 1 261 ? 0.436 12.869 11.280 1.00 4.08 ? 261 PHE A CG 1 ATOM 1950 C CD1 . PHE A 1 261 ? 0.746 11.551 11.585 1.00 5.72 ? 261 PHE A CD1 1 ATOM 1951 C CD2 . PHE A 1 261 ? 0.634 13.332 9.982 1.00 4.88 ? 261 PHE A CD2 1 ATOM 1952 C CE1 . PHE A 1 261 ? 1.232 10.691 10.606 1.00 7.28 ? 261 PHE A CE1 1 ATOM 1953 C CE2 . PHE A 1 261 ? 1.128 12.476 8.995 1.00 7.63 ? 261 PHE A CE2 1 ATOM 1954 C CZ . PHE A 1 261 ? 1.428 11.158 9.313 1.00 6.80 ? 261 PHE A CZ 1 ATOM 1955 N N . GLY A 1 262 ? -2.242 14.992 14.449 1.00 4.32 ? 262 GLY A N 1 ATOM 1956 C CA . GLY A 1 262 ? -2.354 15.373 15.853 1.00 4.34 ? 262 GLY A CA 1 ATOM 1957 C C . GLY A 1 262 ? -1.053 15.912 16.421 1.00 4.86 ? 262 GLY A C 1 ATOM 1958 O O . GLY A 1 262 ? -0.992 16.275 17.604 1.00 4.48 ? 262 GLY A O 1 ATOM 1959 N N . ARG A 1 263 ? -0.010 15.959 15.588 1.00 4.73 ? 263 ARG A N 1 ATOM 1960 C CA . ARG A 1 263 ? 1.269 16.583 15.944 1.00 4.77 ? 263 ARG A CA 1 ATOM 1961 C C . ARG A 1 263 ? 1.777 17.333 14.734 1.00 4.96 ? 263 ARG A C 1 ATOM 1962 O O . ARG A 1 263 ? 1.550 16.925 13.600 1.00 5.45 ? 263 ARG A O 1 ATOM 1963 C CB . ARG A 1 263 ? 2.333 15.551 16.343 1.00 4.71 ? 263 ARG A CB 1 ATOM 1964 C CG . ARG A 1 263 ? 2.069 14.766 17.624 1.00 4.79 ? 263 ARG A CG 1 ATOM 1965 C CD . ARG A 1 263 ? 3.308 13.925 17.976 1.00 4.63 ? 263 ARG A CD 1 ATOM 1966 N NE . ARG A 1 263 ? 3.076 13.127 19.178 1.00 4.93 ? 263 ARG A NE 1 ATOM 1967 C CZ . ARG A 1 263 ? 3.284 13.559 20.417 1.00 5.94 ? 263 ARG A CZ 1 ATOM 1968 N NH1 . ARG A 1 263 ? 3.790 14.765 20.640 1.00 6.74 ? 263 ARG A NH1 1 ATOM 1969 N NH2 . ARG A 1 263 ? 2.987 12.760 21.435 1.00 6.43 ? 263 ARG A NH2 1 ATOM 1970 N N . TRP A 1 264 ? 2.492 18.424 14.990 1.00 4.94 ? 264 TRP A N 1 ATOM 1971 C CA . TRP A 1 264 ? 3.293 19.087 13.970 1.00 5.45 ? 264 TRP A CA 1 ATOM 1972 C C . TRP A 1 264 ? 4.481 18.186 13.606 1.00 5.62 ? 264 TRP A C 1 ATOM 1973 O O . TRP A 1 264 ? 4.817 17.243 14.336 1.00 5.39 ? 264 TRP A O 1 ATOM 1974 C CB . TRP A 1 264 ? 3.807 20.428 14.497 1.00 5.49 ? 264 TRP A CB 1 ATOM 1975 C CG . TRP A 1 264 ? 2.735 21.412 14.826 1.00 5.58 ? 264 TRP A CG 1 ATOM 1976 C CD1 . TRP A 1 264 ? 2.118 21.575 16.035 1.00 5.59 ? 264 TRP A CD1 1 ATOM 1977 C CD2 . TRP A 1 264 ? 2.141 22.368 13.939 1.00 6.19 ? 264 TRP A CD2 1 ATOM 1978 N NE1 . TRP A 1 264 ? 1.177 22.572 15.954 1.00 5.70 ? 264 TRP A NE1 1 ATOM 1979 C CE2 . TRP A 1 264 ? 1.178 23.085 14.684 1.00 5.74 ? 264 TRP A CE2 1 ATOM 1980 C CE3 . TRP A 1 264 ? 2.341 22.704 12.589 1.00 6.98 ? 264 TRP A CE3 1 ATOM 1981 C CZ2 . TRP A 1 264 ? 0.400 24.105 14.127 1.00 7.11 ? 264 TRP A CZ2 1 ATOM 1982 C CZ3 . TRP A 1 264 ? 1.565 23.726 12.033 1.00 7.05 ? 264 TRP A CZ3 1 ATOM 1983 C CH2 . TRP A 1 264 ? 0.608 24.416 12.804 1.00 6.56 ? 264 TRP A CH2 1 ATOM 1984 N N . LYS A 1 265 ? 5.134 18.491 12.491 1.00 5.82 ? 265 LYS A N 1 ATOM 1985 C CA . LYS A 1 265 ? 6.302 17.708 12.070 1.00 5.98 ? 265 LYS A CA 1 ATOM 1986 C C . LYS A 1 265 ? 7.415 17.682 13.114 1.00 6.34 ? 265 LYS A C 1 ATOM 1987 O O . LYS A 1 265 ? 8.134 16.689 13.220 1.00 6.27 ? 265 LYS A O 1 ATOM 1988 C CB . LYS A 1 265 ? 6.823 18.198 10.718 1.00 6.44 ? 265 LYS A CB 1 ATOM 1989 C CG . LYS A 1 265 ? 5.908 17.808 9.572 1.00 6.51 ? 265 LYS A CG 1 ATOM 1990 C CD . LYS A 1 265 ? 6.343 18.464 8.270 1.00 9.02 ? 265 LYS A CD 1 ATOM 1991 C CE . LYS A 1 265 ? 5.482 17.980 7.118 1.00 12.17 ? 265 LYS A CE 1 ATOM 1992 N NZ . LYS A 1 265 ? 5.796 18.698 5.835 1.00 15.69 ? 265 LYS A NZ 1 ATOM 1993 N N . SER A 1 266 ? 7.547 18.766 13.884 1.00 5.92 ? 266 SER A N 1 ATOM 1994 C CA . SER A 1 266 ? 8.536 18.883 14.955 1.00 6.64 ? 266 SER A CA 1 ATOM 1995 C C . SER A 1 266 ? 8.273 17.951 16.133 1.00 6.57 ? 266 SER A C 1 ATOM 1996 O O . SER A 1 266 ? 9.132 17.794 17.004 1.00 7.06 ? 266 SER A O 1 ATOM 1997 C CB . SER A 1 266 ? 8.503 20.308 15.496 1.00 7.20 ? 266 SER A CB 1 ATOM 1998 O OG . SER A 1 266 ? 7.305 20.492 16.240 1.00 8.28 ? 266 SER A OG 1 ATOM 1999 N N . GLY A 1 267 ? 7.075 17.374 16.187 1.00 6.19 ? 267 GLY A N 1 ATOM 2000 C CA . GLY A 1 267 ? 6.680 16.572 17.330 1.00 6.34 ? 267 GLY A CA 1 ATOM 2001 C C . GLY A 1 267 ? 5.776 17.306 18.307 1.00 6.43 ? 267 GLY A C 1 ATOM 2002 O O . GLY A 1 267 ? 5.231 16.685 19.209 1.00 7.30 ? 267 GLY A O 1 ATOM 2003 N N . ALA A 1 268 ? 5.624 18.621 18.144 1.00 5.87 ? 268 ALA A N 1 ATOM 2004 C CA . ALA A 1 268 ? 4.744 19.393 19.039 1.00 5.78 ? 268 ALA A CA 1 ATOM 2005 C C . ALA A 1 268 ? 3.316 18.884 18.892 1.00 5.73 ? 268 ALA A C 1 ATOM 2006 O O . ALA A 1 268 ? 2.786 18.885 17.791 1.00 6.21 ? 268 ALA A O 1 ATOM 2007 C CB . ALA A 1 268 ? 4.818 20.889 18.714 1.00 6.00 ? 268 ALA A CB 1 ATOM 2008 N N . PRO A 1 269 ? 2.697 18.426 19.996 1.00 5.31 ? 269 PRO A N 1 ATOM 2009 C CA . PRO A 1 269 ? 1.310 17.954 19.858 1.00 5.06 ? 269 PRO A CA 1 ATOM 2010 C C . PRO A 1 269 ? 0.345 19.122 19.699 1.00 4.96 ? 269 PRO A C 1 ATOM 2011 O O . PRO A 1 269 ? 0.466 20.129 20.400 1.00 5.33 ? 269 PRO A O 1 ATOM 2012 C CB . PRO A 1 269 ? 1.050 17.219 21.172 1.00 5.55 ? 269 PRO A CB 1 ATOM 2013 C CG . PRO A 1 269 ? 2.003 17.879 22.170 1.00 5.66 ? 269 PRO A CG 1 ATOM 2014 C CD . PRO A 1 269 ? 3.200 18.321 21.383 1.00 5.31 ? 269 PRO A CD 1 ATOM 2015 N N . ILE A 1 270 ? -0.614 19.001 18.790 1.00 4.94 ? 270 ILE A N 1 ATOM 2016 C CA . ILE A 1 270 ? -1.522 20.117 18.544 1.00 5.43 ? 270 ILE A CA 1 ATOM 2017 C C . ILE A 1 270 ? -2.427 20.434 19.742 1.00 5.33 ? 270 ILE A C 1 ATOM 2018 O O . ILE A 1 270 ? -2.890 21.551 19.881 1.00 5.69 ? 270 ILE A O 1 ATOM 2019 C CB . ILE A 1 270 ? -2.320 19.970 17.214 1.00 5.51 ? 270 ILE A CB 1 ATOM 2020 C CG1 . ILE A 1 270 ? -3.344 18.824 17.270 1.00 5.05 ? 270 ILE A CG1 1 ATOM 2021 C CG2 . ILE A 1 270 ? -1.351 19.825 16.015 1.00 5.57 ? 270 ILE A CG2 1 ATOM 2022 C CD1 . ILE A 1 270 ? -4.135 18.666 15.965 1.00 6.02 ? 270 ILE A CD1 1 ATOM 2023 N N . ASP A 1 271 ? -2.631 19.469 20.639 1.00 5.63 ? 271 ASP A N 1 ATOM 2024 C CA . ASP A 1 271 ? -3.459 19.729 21.798 1.00 5.58 ? 271 ASP A CA 1 ATOM 2025 C C . ASP A 1 271 ? -2.774 20.789 22.666 1.00 5.66 ? 271 ASP A C 1 ATOM 2026 O O . ASP A 1 271 ? -3.448 21.599 23.302 1.00 6.58 ? 271 ASP A O 1 ATOM 2027 C CB . ASP A 1 271 ? -3.698 18.437 22.575 1.00 5.75 ? 271 ASP A CB 1 ATOM 2028 C CG . ASP A 1 271 ? -4.802 18.561 23.614 1.00 6.30 ? 271 ASP A CG 1 ATOM 2029 O OD1 . ASP A 1 271 ? -5.758 19.356 23.425 1.00 7.68 ? 271 ASP A OD1 1 ATOM 2030 O OD2 . ASP A 1 271 ? -4.741 17.814 24.608 1.00 7.79 ? 271 ASP A OD2 1 ATOM 2031 N N . LEU A 1 272 ? -1.440 20.791 22.683 1.00 6.35 ? 272 LEU A N 1 ATOM 2032 C CA . LEU A 1 272 ? -0.689 21.825 23.394 1.00 6.69 ? 272 LEU A CA 1 ATOM 2033 C C . LEU A 1 272 ? -0.369 23.050 22.538 1.00 6.76 ? 272 LEU A C 1 ATOM 2034 O O . LEU A 1 272 ? -0.298 24.173 23.073 1.00 8.10 ? 272 LEU A O 1 ATOM 2035 C CB . LEU A 1 272 ? 0.610 21.254 23.963 1.00 6.60 ? 272 LEU A CB 1 ATOM 2036 C CG . LEU A 1 272 ? 0.452 20.103 24.958 1.00 6.57 ? 272 LEU A CG 1 ATOM 2037 C CD1 . LEU A 1 272 ? 1.823 19.701 25.508 1.00 8.15 ? 272 LEU A CD1 1 ATOM 2038 C CD2 . LEU A 1 272 ? -0.487 20.524 26.075 1.00 9.37 ? 272 LEU A CD2 1 ATOM 2039 N N . ALA A 1 273 ? -0.151 22.831 21.240 1.00 6.09 ? 273 ALA A N 1 ATOM 2040 C CA . ALA A 1 273 ? 0.214 23.898 20.297 1.00 6.47 ? 273 ALA A CA 1 ATOM 2041 C C . ALA A 1 273 ? -0.811 23.919 19.157 1.00 6.56 ? 273 ALA A C 1 ATOM 2042 O O . ALA A 1 273 ? -0.525 23.466 18.039 1.00 6.28 ? 273 ALA A O 1 ATOM 2043 C CB . ALA A 1 273 ? 1.618 23.664 19.772 1.00 6.73 ? 273 ALA A CB 1 ATOM 2044 N N . PRO A 1 274 ? -2.017 24.448 19.429 1.00 6.30 ? 274 PRO A N 1 ATOM 2045 C CA . PRO A 1 274 ? -3.120 24.233 18.483 1.00 5.93 ? 274 PRO A CA 1 ATOM 2046 C C . PRO A 1 274 ? -3.144 25.123 17.238 1.00 6.01 ? 274 PRO A C 1 ATOM 2047 O O . PRO A 1 274 ? -3.894 24.818 16.313 1.00 5.57 ? 274 PRO A O 1 ATOM 2048 C CB . PRO A 1 274 ? -4.373 24.465 19.342 1.00 6.32 ? 274 PRO A CB 1 ATOM 2049 C CG . PRO A 1 274 ? -3.923 25.425 20.401 1.00 7.34 ? 274 PRO A CG 1 ATOM 2050 C CD . PRO A 1 274 ? -2.486 25.050 20.696 1.00 6.40 ? 274 PRO A CD 1 ATOM 2051 N N . THR A 1 275 ? -2.342 26.190 17.209 1.00 6.58 ? 275 THR A N 1 ATOM 2052 C CA . THR A 1 275 ? -2.408 27.158 16.093 1.00 7.72 ? 275 THR A CA 1 ATOM 2053 C C . THR A 1 275 ? -1.110 27.353 15.308 1.00 8.27 ? 275 THR A C 1 ATOM 2054 O O . THR A 1 275 ? -1.146 27.787 14.154 1.00 8.52 ? 275 THR A O 1 ATOM 2055 C CB . THR A 1 275 ? -2.894 28.546 16.551 1.00 8.00 ? 275 THR A CB 1 ATOM 2056 O OG1 . THR A 1 275 ? -1.992 29.063 17.537 1.00 10.44 ? 275 THR A OG1 1 ATOM 2057 C CG2 . THR A 1 275 ? -4.312 28.475 17.111 1.00 7.87 ? 275 THR A CG2 1 ATOM 2058 N N . ALA A 1 276 ? 0.026 27.058 15.939 1.00 8.43 ? 276 ALA A N 1 ATOM 2059 C CA . ALA A 1 276 ? 1.332 27.212 15.307 1.00 8.82 ? 276 ALA A CA 1 ATOM 2060 C C . ALA A 1 276 ? 2.288 26.210 15.902 1.00 8.57 ? 276 ALA A C 1 ATOM 2061 O O . ALA A 1 276 ? 2.155 25.817 17.067 1.00 9.16 ? 276 ALA A O 1 ATOM 2062 C CB . ALA A 1 276 ? 1.875 28.617 15.507 1.00 9.22 ? 276 ALA A CB 1 ATOM 2063 N N . ASP A 1 277 ? 3.247 25.792 15.090 1.00 9.05 ? 277 ASP A N 1 ATOM 2064 C CA . ASP A 1 277 ? 4.264 24.872 15.554 1.00 9.42 ? 277 ASP A CA 1 ATOM 2065 C C . ASP A 1 277 ? 5.039 25.492 16.713 1.00 9.75 ? 277 ASP A C 1 ATOM 2066 O O . ASP A 1 277 ? 5.157 26.718 16.833 1.00 10.52 ? 277 ASP A O 1 ATOM 2067 C CB . ASP A 1 277 ? 5.197 24.495 14.398 1.00 9.90 ? 277 ASP A CB 1 ATOM 2068 C CG . ASP A 1 277 ? 6.115 23.332 14.723 1.00 10.99 ? 277 ASP A CG 1 ATOM 2069 O OD1 . ASP A 1 277 ? 5.916 22.638 15.741 1.00 9.85 ? 277 ASP A OD1 1 ATOM 2070 O OD2 . ASP A 1 277 ? 7.061 23.114 13.937 1.00 16.10 ? 277 ASP A OD2 1 ATOM 2071 N N . ASP A 1 278 ? 5.514 24.622 17.595 1.00 9.61 ? 278 ASP A N 1 ATOM 2072 C CA . ASP A 1 278 ? 6.416 24.988 18.675 1.00 10.26 ? 278 ASP A CA 1 ATOM 2073 C C . ASP A 1 278 ? 7.541 23.954 18.629 1.00 10.06 ? 278 ASP A C 1 ATOM 2074 O O . ASP A 1 278 ? 7.471 22.930 19.316 1.00 9.55 ? 278 ASP A O 1 ATOM 2075 C CB . ASP A 1 278 ? 5.659 24.944 20.007 1.00 10.70 ? 278 ASP A CB 1 ATOM 2076 C CG . ASP A 1 278 ? 6.457 25.498 21.172 1.00 12.66 ? 278 ASP A CG 1 ATOM 2077 O OD1 . ASP A 1 278 ? 7.693 25.526 21.106 1.00 13.21 ? 278 ASP A OD1 1 ATOM 2078 O OD2 . ASP A 1 278 ? 5.820 25.878 22.178 1.00 16.11 ? 278 ASP A OD2 1 ATOM 2079 N N . PRO A 1 279 ? 8.567 24.194 17.790 1.00 10.65 ? 279 PRO A N 1 ATOM 2080 C CA . PRO A 1 279 ? 9.592 23.158 17.614 1.00 10.74 ? 279 PRO A CA 1 ATOM 2081 C C . PRO A 1 279 ? 10.350 22.810 18.885 1.00 10.92 ? 279 PRO A C 1 ATOM 2082 O O . PRO A 1 279 ? 10.717 21.653 19.066 1.00 10.85 ? 279 PRO A O 1 ATOM 2083 C CB . PRO A 1 279 ? 10.544 23.753 16.571 1.00 11.33 ? 279 PRO A CB 1 ATOM 2084 C CG . PRO A 1 279 ? 9.749 24.762 15.861 1.00 12.42 ? 279 PRO A CG 1 ATOM 2085 C CD . PRO A 1 279 ? 8.725 25.292 16.817 1.00 10.33 ? 279 PRO A CD 1 ATOM 2086 N N . ALA A 1 280 ? 10.573 23.800 19.748 1.00 10.85 ? 280 ALA A N 1 ATOM 2087 C CA . ALA A 1 280 ? 11.219 23.563 21.035 1.00 10.81 ? 280 ALA A CA 1 ATOM 2088 C C . ALA A 1 280 ? 10.402 22.608 21.894 1.00 10.42 ? 280 ALA A C 1 ATOM 2089 O O . ALA A 1 280 ? 10.966 21.729 22.548 1.00 11.08 ? 280 ALA A O 1 ATOM 2090 C CB . ALA A 1 280 ? 11.443 24.875 21.771 1.00 11.27 ? 280 ALA A CB 1 ATOM 2091 N N . LEU A 1 281 ? 9.080 22.786 21.894 1.00 9.99 ? 281 LEU A N 1 ATOM 2092 C CA . LEU A 1 281 ? 8.178 21.876 22.601 1.00 9.73 ? 281 LEU A CA 1 ATOM 2093 C C . LEU A 1 281 ? 8.292 20.475 22.010 1.00 9.40 ? 281 LEU A C 1 ATOM 2094 O O . LEU A 1 281 ? 8.426 19.496 22.748 1.00 8.56 ? 281 LEU A O 1 ATOM 2095 C CB . LEU A 1 281 ? 6.729 22.377 22.547 1.00 9.45 ? 281 LEU A CB 1 ATOM 2096 C CG . LEU A 1 281 ? 5.590 21.406 22.915 1.00 11.35 ? 281 LEU A CG 1 ATOM 2097 C CD1 . LEU A 1 281 ? 5.694 20.959 24.352 1.00 14.36 ? 281 LEU A CD1 1 ATOM 2098 C CD2 . LEU A 1 281 ? 4.232 22.066 22.656 1.00 12.81 ? 281 LEU A CD2 1 ATOM 2099 N N . GLY A 1 282 ? 8.251 20.387 20.682 1.00 9.29 ? 282 GLY A N 1 ATOM 2100 C CA . GLY A 1 282 ? 8.345 19.098 20.002 1.00 9.92 ? 282 GLY A CA 1 ATOM 2101 C C . GLY A 1 282 ? 9.579 18.301 20.371 1.00 10.32 ? 282 GLY A C 1 ATOM 2102 O O . GLY A 1 282 ? 9.528 17.075 20.470 1.00 10.56 ? 282 GLY A O 1 ATOM 2103 N N . ALA A 1 283 ? 10.686 19.003 20.598 1.00 10.58 ? 283 ALA A N 1 ATOM 2104 C CA . ALA A 1 283 ? 11.967 18.361 20.882 1.00 11.34 ? 283 ALA A CA 1 ATOM 2105 C C . ALA A 1 283 ? 12.192 18.065 22.376 1.00 11.59 ? 283 ALA A C 1 ATOM 2106 O O . ALA A 1 283 ? 13.210 17.469 22.750 1.00 13.06 ? 283 ALA A O 1 ATOM 2107 C CB . ALA A 1 283 ? 13.097 19.215 20.326 1.00 11.92 ? 283 ALA A CB 1 ATOM 2108 N N . ASP A 1 284 ? 11.250 18.481 23.221 1.00 10.58 ? 284 ASP A N 1 ATOM 2109 C CA . ASP A 1 284 ? 11.381 18.350 24.668 1.00 9.85 ? 284 ASP A CA 1 ATOM 2110 C C . ASP A 1 284 ? 10.513 17.203 25.211 1.00 9.58 ? 284 ASP A C 1 ATOM 2111 O O . ASP A 1 284 ? 9.303 17.360 25.323 1.00 9.34 ? 284 ASP A O 1 ATOM 2112 C CB . ASP A 1 284 ? 11.001 19.678 25.335 1.00 9.98 ? 284 ASP A CB 1 ATOM 2113 C CG . ASP A 1 284 ? 11.193 19.662 26.846 1.00 10.92 ? 284 ASP A CG 1 ATOM 2114 O OD1 . ASP A 1 284 ? 11.672 18.636 27.389 1.00 10.78 ? 284 ASP A OD1 1 ATOM 2115 O OD2 . ASP A 1 284 ? 10.865 20.687 27.492 1.00 12.06 ? 284 ASP A OD2 1 ATOM 2116 N N . PRO A 1 285 ? 11.128 16.051 25.563 1.00 9.53 ? 285 PRO A N 1 ATOM 2117 C CA . PRO A 1 285 ? 10.305 14.927 26.046 1.00 9.64 ? 285 PRO A CA 1 ATOM 2118 C C . PRO A 1 285 ? 9.631 15.173 27.399 1.00 9.55 ? 285 PRO A C 1 ATOM 2119 O O . PRO A 1 285 ? 8.731 14.425 27.790 1.00 9.19 ? 285 PRO A O 1 ATOM 2120 C CB . PRO A 1 285 ? 11.304 13.765 26.138 1.00 9.44 ? 285 PRO A CB 1 ATOM 2121 C CG . PRO A 1 285 ? 12.644 14.439 26.329 1.00 10.16 ? 285 PRO A CG 1 ATOM 2122 C CD . PRO A 1 285 ? 12.572 15.727 25.557 1.00 9.74 ? 285 PRO A CD 1 ATOM 2123 N N . GLN A 1 286 ? 10.053 16.216 28.112 1.00 9.73 ? 286 GLN A N 1 ATOM 2124 C CA . GLN A 1 286 ? 9.403 16.571 29.369 1.00 10.24 ? 286 GLN A CA 1 ATOM 2125 C C . GLN A 1 286 ? 8.059 17.246 29.153 1.00 9.79 ? 286 GLN A C 1 ATOM 2126 O O . GLN A 1 286 ? 7.269 17.369 30.091 1.00 10.17 ? 286 GLN A O 1 ATOM 2127 C CB . GLN A 1 286 ? 10.302 17.490 30.211 1.00 11.01 ? 286 GLN A CB 1 ATOM 2128 C CG . GLN A 1 286 ? 11.626 16.865 30.625 1.00 13.36 ? 286 GLN A CG 1 ATOM 2129 C CD . GLN A 1 286 ? 11.459 15.676 31.554 1.00 15.68 ? 286 GLN A CD 1 ATOM 2130 O OE1 . GLN A 1 286 ? 10.491 15.581 32.309 1.00 16.67 ? 286 GLN A OE1 1 ATOM 2131 N NE2 . GLN A 1 286 ? 12.422 14.758 31.504 1.00 19.05 ? 286 GLN A NE2 1 ATOM 2132 N N . ARG A 1 287 ? 7.804 17.670 27.913 1.00 9.00 ? 287 ARG A N 1 ATOM 2133 C CA . ARG A 1 287 ? 6.586 18.420 27.597 1.00 9.44 ? 287 ARG A CA 1 ATOM 2134 C C . ARG A 1 287 ? 5.773 17.869 26.424 1.00 8.78 ? 287 ARG A C 1 ATOM 2135 O O . ARG A 1 287 ? 4.552 18.036 26.394 1.00 8.57 ? 287 ARG A O 1 ATOM 2136 C CB . ARG A 1 287 ? 6.937 19.872 27.295 1.00 10.10 ? 287 ARG A CB 1 ATOM 2137 C CG . ARG A 1 287 ? 7.474 20.666 28.469 1.00 12.49 ? 287 ARG A CG 1 ATOM 2138 C CD . ARG A 1 287 ? 7.617 22.128 28.060 1.00 14.18 ? 287 ARG A CD 1 ATOM 2139 N NE . ARG A 1 287 ? 8.719 22.313 27.121 1.00 15.43 ? 287 ARG A NE 1 ATOM 2140 C CZ . ARG A 1 287 ? 8.803 23.287 26.218 1.00 15.62 ? 287 ARG A CZ 1 ATOM 2141 N NH1 . ARG A 1 287 ? 7.842 24.199 26.114 1.00 16.89 ? 287 ARG A NH1 1 ATOM 2142 N NH2 . ARG A 1 287 ? 9.859 23.346 25.421 1.00 16.80 ? 287 ARG A NH2 1 ATOM 2143 N N . ASN A 1 288 ? 6.443 17.242 25.459 1.00 8.13 ? 288 ASN A N 1 ATOM 2144 C CA . ASN A 1 288 ? 5.790 16.881 24.195 1.00 7.79 ? 288 ASN A CA 1 ATOM 2145 C C . ASN A 1 288 ? 4.769 15.760 24.296 1.00 7.63 ? 288 ASN A C 1 ATOM 2146 O O . ASN A 1 288 ? 4.062 15.481 23.320 1.00 7.32 ? 288 ASN A O 1 ATOM 2147 C CB . ASN A 1 288 ? 6.810 16.602 23.083 1.00 7.61 ? 288 ASN A CB 1 ATOM 2148 C CG . ASN A 1 288 ? 7.659 15.373 23.348 1.00 7.56 ? 288 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 288 ? 7.359 14.568 24.236 1.00 7.04 ? 288 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 288 ? 8.725 15.217 22.568 1.00 7.73 ? 288 ASN A ND2 1 ATOM 2151 N N . ASN A 1 289 ? 4.664 15.130 25.461 1.00 7.07 ? 289 ASN A N 1 ATOM 2152 C CA . ASN A 1 289 ? 3.629 14.116 25.651 1.00 6.99 ? 289 ASN A CA 1 ATOM 2153 C C . ASN A 1 289 ? 2.647 14.446 26.766 1.00 6.83 ? 289 ASN A C 1 ATOM 2154 O O . ASN A 1 289 ? 1.775 13.628 27.100 1.00 6.59 ? 289 ASN A O 1 ATOM 2155 C CB . ASN A 1 289 ? 4.257 12.735 25.861 1.00 6.66 ? 289 ASN A CB 1 ATOM 2156 C CG . ASN A 1 289 ? 3.455 11.635 25.181 1.00 7.22 ? 289 ASN A CG 1 ATOM 2157 O OD1 . ASN A 1 289 ? 2.661 11.915 24.277 1.00 6.45 ? 289 ASN A OD1 1 ATOM 2158 N ND2 . ASN A 1 289 ? 3.646 10.391 25.612 1.00 8.17 ? 289 ASN A ND2 1 ATOM 2159 N N . ASN A 1 290 ? 2.760 15.653 27.323 1.00 7.08 ? 290 ASN A N 1 ATOM 2160 C CA . ASN A 1 290 ? 1.978 16.016 28.500 1.00 7.52 ? 290 ASN A CA 1 ATOM 2161 C C . ASN A 1 290 ? 0.614 16.610 28.162 1.00 7.57 ? 290 ASN A C 1 ATOM 2162 O O . ASN A 1 290 ? 0.331 17.784 28.423 1.00 7.61 ? 290 ASN A O 1 ATOM 2163 C CB . ASN A 1 290 ? 2.788 16.936 29.432 1.00 8.58 ? 290 ASN A CB 1 ATOM 2164 C CG . ASN A 1 290 ? 2.215 16.988 30.835 1.00 10.09 ? 290 ASN A CG 1 ATOM 2165 O OD1 . ASN A 1 290 ? 1.329 16.212 31.190 1.00 14.30 ? 290 ASN A OD1 1 ATOM 2166 N ND2 . ASN A 1 290 ? 2.713 17.919 31.639 1.00 13.29 ? 290 ASN A ND2 1 ATOM 2167 N N . PHE A 1 291 ? -0.239 15.761 27.600 1.00 6.77 ? 291 PHE A N 1 ATOM 2168 C CA . PHE A 1 291 ? -1.601 16.137 27.230 1.00 6.75 ? 291 PHE A CA 1 ATOM 2169 C C . PHE A 1 291 ? -2.473 14.887 27.268 1.00 6.32 ? 291 PHE A C 1 ATOM 2170 O O . PHE A 1 291 ? -1.966 13.759 27.212 1.00 6.31 ? 291 PHE A O 1 ATOM 2171 C CB . PHE A 1 291 ? -1.635 16.779 25.831 1.00 6.77 ? 291 PHE A CB 1 ATOM 2172 C CG . PHE A 1 291 ? -1.226 15.845 24.730 1.00 6.03 ? 291 PHE A CG 1 ATOM 2173 C CD1 . PHE A 1 291 ? -2.186 15.125 24.018 1.00 5.72 ? 291 PHE A CD1 1 ATOM 2174 C CD2 . PHE A 1 291 ? 0.124 15.652 24.438 1.00 5.06 ? 291 PHE A CD2 1 ATOM 2175 C CE1 . PHE A 1 291 ? -1.804 14.238 23.012 1.00 4.42 ? 291 PHE A CE1 1 ATOM 2176 C CE2 . PHE A 1 291 ? 0.526 14.758 23.437 1.00 4.97 ? 291 PHE A CE2 1 ATOM 2177 C CZ . PHE A 1 291 ? -0.450 14.058 22.714 1.00 4.53 ? 291 PHE A CZ 1 ATOM 2178 N N . ASP A 1 292 ? -3.784 15.077 27.333 1.00 6.67 ? 292 ASP A N 1 ATOM 2179 C CA . ASP A 1 292 ? -4.686 13.924 27.361 1.00 6.34 ? 292 ASP A CA 1 ATOM 2180 C C . ASP A 1 292 ? -6.033 14.155 26.681 1.00 6.05 ? 292 ASP A C 1 ATOM 2181 O O . ASP A 1 292 ? -6.936 13.344 26.814 1.00 5.75 ? 292 ASP A O 1 ATOM 2182 C CB . ASP A 1 292 ? -4.872 13.414 28.803 1.00 6.23 ? 292 ASP A CB 1 ATOM 2183 C CG . ASP A 1 292 ? -5.576 14.419 29.702 1.00 8.65 ? 292 ASP A CG 1 ATOM 2184 O OD1 . ASP A 1 292 ? -5.944 15.505 29.216 1.00 8.55 ? 292 ASP A OD1 1 ATOM 2185 O OD2 . ASP A 1 292 ? -5.742 14.125 30.908 1.00 11.46 ? 292 ASP A OD2 1 ATOM 2186 N N . TYR A 1 293 ? -6.142 15.255 25.937 1.00 5.76 ? 293 TYR A N 1 ATOM 2187 C CA . TYR A 1 293 ? -7.400 15.670 25.281 1.00 5.84 ? 293 TYR A CA 1 ATOM 2188 C C . TYR A 1 293 ? -8.507 16.143 26.214 1.00 6.01 ? 293 TYR A C 1 ATOM 2189 O O . TYR A 1 293 ? -9.593 16.474 25.744 1.00 6.10 ? 293 TYR A O 1 ATOM 2190 C CB . TYR A 1 293 ? -7.942 14.614 24.286 1.00 5.67 ? 293 TYR A CB 1 ATOM 2191 C CG . TYR A 1 293 ? -6.885 14.081 23.344 1.00 5.20 ? 293 TYR A CG 1 ATOM 2192 C CD1 . TYR A 1 293 ? -6.207 14.940 22.470 1.00 5.23 ? 293 TYR A CD1 1 ATOM 2193 C CD2 . TYR A 1 293 ? -6.522 12.727 23.363 1.00 5.61 ? 293 TYR A CD2 1 ATOM 2194 C CE1 . TYR A 1 293 ? -5.217 14.457 21.618 1.00 4.95 ? 293 TYR A CE1 1 ATOM 2195 C CE2 . TYR A 1 293 ? -5.522 12.233 22.516 1.00 5.00 ? 293 TYR A CE2 1 ATOM 2196 C CZ . TYR A 1 293 ? -4.877 13.112 21.654 1.00 3.91 ? 293 TYR A CZ 1 ATOM 2197 O OH . TYR A 1 293 ? -3.891 12.665 20.810 1.00 4.46 ? 293 TYR A OH 1 ATOM 2198 N N . SER A 1 294 ? -8.253 16.176 27.523 1.00 6.92 ? 294 SER A N 1 ATOM 2199 C CA . SER A 1 294 ? -9.273 16.635 28.476 1.00 6.98 ? 294 SER A CA 1 ATOM 2200 C C . SER A 1 294 ? -9.728 18.077 28.247 1.00 7.29 ? 294 SER A C 1 ATOM 2201 O O . SER A 1 294 ? -10.802 18.461 28.716 1.00 7.82 ? 294 SER A O 1 ATOM 2202 C CB . SER A 1 294 ? -8.812 16.445 29.926 1.00 7.52 ? 294 SER A CB 1 ATOM 2203 O OG . SER A 1 294 ? -7.678 17.219 30.233 1.00 9.53 ? 294 SER A OG 1 ATOM 2204 N N . ASP A 1 295 ? -8.920 18.858 27.527 1.00 6.72 ? 295 ASP A N 1 ATOM 2205 C CA . ASP A 1 295 ? -9.281 20.239 27.183 1.00 6.89 ? 295 ASP A CA 1 ATOM 2206 C C . ASP A 1 295 ? -10.068 20.352 25.872 1.00 6.75 ? 295 ASP A C 1 ATOM 2207 O O . ASP A 1 295 ? -10.366 21.462 25.424 1.00 6.52 ? 295 ASP A O 1 ATOM 2208 C CB . ASP A 1 295 ? -8.030 21.127 27.135 1.00 6.85 ? 295 ASP A CB 1 ATOM 2209 C CG . ASP A 1 295 ? -7.026 20.688 26.077 1.00 7.40 ? 295 ASP A CG 1 ATOM 2210 O OD1 . ASP A 1 295 ? -7.293 19.704 25.357 1.00 9.02 ? 295 ASP A OD1 1 ATOM 2211 O OD2 . ASP A 1 295 ? -5.952 21.323 25.963 1.00 7.56 ? 295 ASP A OD2 1 ATOM 2212 N N . THR A 1 296 ? -10.374 19.209 25.250 1.00 6.34 ? 296 THR A N 1 ATOM 2213 C CA . THR A 1 296 ? -10.979 19.188 23.919 1.00 6.19 ? 296 THR A CA 1 ATOM 2214 C C . THR A 1 296 ? -11.832 17.938 23.673 1.00 6.31 ? 296 THR A C 1 ATOM 2215 O O . THR A 1 296 ? -11.933 17.431 22.556 1.00 6.16 ? 296 THR A O 1 ATOM 2216 C CB . THR A 1 296 ? -9.896 19.393 22.808 1.00 6.00 ? 296 THR A CB 1 ATOM 2217 O OG1 . THR A 1 296 ? -10.533 19.669 21.557 1.00 6.07 ? 296 THR A OG1 1 ATOM 2218 C CG2 . THR A 1 296 ? -8.933 18.206 22.681 1.00 7.19 ? 296 THR A CG2 1 ATOM 2219 N N . LEU A 1 297 ? -12.485 17.470 24.731 1.00 6.21 ? 297 LEU A N 1 ATOM 2220 C CA . LEU A 1 297 ? -13.316 16.275 24.637 1.00 6.41 ? 297 LEU A CA 1 ATOM 2221 C C . LEU A 1 297 ? -14.558 16.484 23.784 1.00 6.54 ? 297 LEU A C 1 ATOM 2222 O O . LEU A 1 297 ? -15.012 15.559 23.128 1.00 6.89 ? 297 LEU A O 1 ATOM 2223 C CB . LEU A 1 297 ? -13.714 15.771 26.029 1.00 6.17 ? 297 LEU A CB 1 ATOM 2224 C CG . LEU A 1 297 ? -12.556 15.357 26.925 1.00 6.86 ? 297 LEU A CG 1 ATOM 2225 C CD1 . LEU A 1 297 ? -13.048 15.178 28.353 1.00 7.61 ? 297 LEU A CD1 1 ATOM 2226 C CD2 . LEU A 1 297 ? -11.906 14.067 26.384 1.00 7.46 ? 297 LEU A CD2 1 ATOM 2227 N N . THR A 1 298 ? -15.107 17.701 23.787 1.00 6.49 ? 298 THR A N 1 ATOM 2228 C CA . THR A 1 298 ? -16.381 17.954 23.097 1.00 7.46 ? 298 THR A CA 1 ATOM 2229 C C . THR A 1 298 ? -16.315 19.093 22.071 1.00 7.01 ? 298 THR A C 1 ATOM 2230 O O . THR A 1 298 ? -17.328 19.712 21.736 1.00 8.05 ? 298 THR A O 1 ATOM 2231 C CB . THR A 1 298 ? -17.535 18.169 24.107 1.00 7.62 ? 298 THR A CB 1 ATOM 2232 O OG1 . THR A 1 298 ? -17.217 19.267 24.964 1.00 9.54 ? 298 THR A OG1 1 ATOM 2233 C CG2 . THR A 1 298 ? -17.741 16.935 24.976 1.00 9.57 ? 298 THR A CG2 1 ATOM 2234 N N . ASP A 1 299 ? -15.118 19.349 21.553 1.00 6.37 ? 299 ASP A N 1 ATOM 2235 C CA . ASP A 1 299 ? -14.940 20.289 20.440 1.00 6.49 ? 299 ASP A CA 1 ATOM 2236 C C . ASP A 1 299 ? -13.668 19.916 19.705 1.00 5.99 ? 299 ASP A C 1 ATOM 2237 O O . ASP A 1 299 ? -12.837 19.188 20.248 1.00 6.77 ? 299 ASP A O 1 ATOM 2238 C CB . ASP A 1 299 ? -14.877 21.749 20.931 1.00 6.61 ? 299 ASP A CB 1 ATOM 2239 C CG . ASP A 1 299 ? -15.285 22.728 19.848 1.00 7.26 ? 299 ASP A CG 1 ATOM 2240 O OD1 . ASP A 1 299 ? -16.505 22.865 19.578 1.00 8.89 ? 299 ASP A OD1 1 ATOM 2241 O OD2 . ASP A 1 299 ? -14.394 23.353 19.253 1.00 7.37 ? 299 ASP A OD2 1 ATOM 2242 N N . GLU A 1 300 ? -13.499 20.441 18.490 1.00 5.92 ? 300 GLU A N 1 ATOM 2243 C CA . GLU A 1 300 ? -12.322 20.089 17.694 1.00 5.81 ? 300 GLU A CA 1 ATOM 2244 C C . GLU A 1 300 ? -11.397 21.255 17.413 1.00 5.88 ? 300 GLU A C 1 ATOM 2245 O O . GLU A 1 300 ? -10.456 21.109 16.632 1.00 6.24 ? 300 GLU A O 1 ATOM 2246 C CB . GLU A 1 300 ? -12.732 19.407 16.390 1.00 6.20 ? 300 GLU A CB 1 ATOM 2247 C CG . GLU A 1 300 ? -13.654 18.228 16.620 1.00 6.68 ? 300 GLU A CG 1 ATOM 2248 C CD . GLU A 1 300 ? -13.948 17.453 15.356 1.00 6.81 ? 300 GLU A CD 1 ATOM 2249 O OE1 . GLU A 1 300 ? -13.047 16.752 14.877 1.00 6.47 ? 300 GLU A OE1 1 ATOM 2250 O OE2 . GLU A 1 300 ? -15.098 17.516 14.857 1.00 7.81 ? 300 GLU A OE2 1 ATOM 2251 N N . THR A 1 301 ? -11.596 22.397 18.072 1.00 5.45 ? 301 THR A N 1 ATOM 2252 C CA . THR A 1 301 ? -10.654 23.493 17.830 1.00 5.29 ? 301 THR A CA 1 ATOM 2253 C C . THR A 1 301 ? -9.213 23.093 18.157 1.00 5.19 ? 301 THR A C 1 ATOM 2254 O O . THR A 1 301 ? -8.322 23.295 17.340 1.00 5.25 ? 301 THR A O 1 ATOM 2255 C CB . THR A 1 301 ? -11.039 24.791 18.540 1.00 5.44 ? 301 THR A CB 1 ATOM 2256 O OG1 . THR A 1 301 ? -12.287 25.232 18.010 1.00 6.13 ? 301 THR A OG1 1 ATOM 2257 C CG2 . THR A 1 301 ? -9.982 25.876 18.271 1.00 5.83 ? 301 THR A CG2 1 ATOM 2258 N N . ARG A 1 302 ? -8.982 22.493 19.320 1.00 5.24 ? 302 ARG A N 1 ATOM 2259 C CA . ARG A 1 302 ? -7.598 22.167 19.677 1.00 5.55 ? 302 ARG A CA 1 ATOM 2260 C C . ARG A 1 302 ? -7.053 20.936 18.936 1.00 5.42 ? 302 ARG A C 1 ATOM 2261 O O . ARG A 1 302 ? -5.870 20.890 18.613 1.00 5.58 ? 302 ARG A O 1 ATOM 2262 C CB . ARG A 1 302 ? -7.437 22.011 21.191 1.00 5.44 ? 302 ARG A CB 1 ATOM 2263 C CG . ARG A 1 302 ? -7.803 23.277 21.989 1.00 5.54 ? 302 ARG A CG 1 ATOM 2264 C CD . ARG A 1 302 ? -7.396 23.144 23.456 1.00 6.59 ? 302 ARG A CD 1 ATOM 2265 N NE . ARG A 1 302 ? -5.957 23.242 23.641 1.00 7.63 ? 302 ARG A NE 1 ATOM 2266 C CZ . ARG A 1 302 ? -5.283 24.385 23.769 1.00 6.36 ? 302 ARG A CZ 1 ATOM 2267 N NH1 . ARG A 1 302 ? -5.924 25.553 23.722 1.00 7.98 ? 302 ARG A NH1 1 ATOM 2268 N NH2 . ARG A 1 302 ? -3.964 24.363 23.921 1.00 8.70 ? 302 ARG A NH2 1 ATOM 2269 N N . CYS A 1 303 ? -7.919 19.963 18.640 1.00 5.80 ? 303 CYS A N 1 ATOM 2270 C CA . CYS A 1 303 ? -7.493 18.751 17.948 1.00 5.56 ? 303 CYS A CA 1 ATOM 2271 C C . CYS A 1 303 ? -8.709 18.059 17.351 1.00 5.50 ? 303 CYS A C 1 ATOM 2272 O O . CYS A 1 303 ? -9.704 17.897 18.059 1.00 5.49 ? 303 CYS A O 1 ATOM 2273 C CB . CYS A 1 303 ? -6.791 17.804 18.940 1.00 5.59 ? 303 CYS A CB 1 ATOM 2274 S SG . CYS A 1 303 ? -6.106 16.321 18.178 1.00 6.20 ? 303 CYS A SG 1 ATOM 2275 N N . PRO A 1 304 ? -8.631 17.618 16.067 1.00 4.77 ? 304 PRO A N 1 ATOM 2276 C CA . PRO A 1 304 ? -9.764 16.847 15.532 1.00 4.87 ? 304 PRO A CA 1 ATOM 2277 C C . PRO A 1 304 ? -9.973 15.564 16.328 1.00 4.94 ? 304 PRO A C 1 ATOM 2278 O O . PRO A 1 304 ? -9.035 15.023 16.915 1.00 5.27 ? 304 PRO A O 1 ATOM 2279 C CB . PRO A 1 304 ? -9.310 16.491 14.108 1.00 4.70 ? 304 PRO A CB 1 ATOM 2280 C CG . PRO A 1 304 ? -8.287 17.575 13.758 1.00 4.81 ? 304 PRO A CG 1 ATOM 2281 C CD . PRO A 1 304 ? -7.553 17.762 15.063 1.00 5.24 ? 304 PRO A CD 1 ATOM 2282 N N . PHE A 1 305 ? -11.203 15.064 16.329 1.00 4.60 ? 305 PHE A N 1 ATOM 2283 C CA . PHE A 1 305 ? -11.476 13.794 16.979 1.00 4.78 ? 305 PHE A CA 1 ATOM 2284 C C . PHE A 1 305 ? -10.761 12.631 16.281 1.00 5.16 ? 305 PHE A C 1 ATOM 2285 O O . PHE A 1 305 ? -10.414 11.646 16.935 1.00 5.67 ? 305 PHE A O 1 ATOM 2286 C CB . PHE A 1 305 ? -12.981 13.516 17.009 1.00 5.17 ? 305 PHE A CB 1 ATOM 2287 C CG . PHE A 1 305 ? -13.796 14.529 17.779 1.00 5.53 ? 305 PHE A CG 1 ATOM 2288 C CD1 . PHE A 1 305 ? -13.401 14.980 19.035 1.00 6.19 ? 305 PHE A CD1 1 ATOM 2289 C CD2 . PHE A 1 305 ? -14.974 15.021 17.227 1.00 6.43 ? 305 PHE A CD2 1 ATOM 2290 C CE1 . PHE A 1 305 ? -14.183 15.910 19.737 1.00 6.89 ? 305 PHE A CE1 1 ATOM 2291 C CE2 . PHE A 1 305 ? -15.759 15.949 17.914 1.00 7.11 ? 305 PHE A CE2 1 ATOM 2292 C CZ . PHE A 1 305 ? -15.359 16.388 19.172 1.00 6.74 ? 305 PHE A CZ 1 ATOM 2293 N N . GLY A 1 306 ? -10.535 12.763 14.968 1.00 4.89 ? 306 GLY A N 1 ATOM 2294 C CA . GLY A 1 306 ? -10.012 11.659 14.166 1.00 5.48 ? 306 GLY A CA 1 ATOM 2295 C C . GLY A 1 306 ? -8.548 11.720 13.761 1.00 5.31 ? 306 GLY A C 1 ATOM 2296 O O . GLY A 1 306 ? -8.130 10.961 12.887 1.00 5.19 ? 306 GLY A O 1 ATOM 2297 N N . ALA A 1 307 ? -7.777 12.620 14.371 1.00 4.97 ? 307 ALA A N 1 ATOM 2298 C CA . ALA A 1 307 ? -6.335 12.712 14.127 1.00 4.55 ? 307 ALA A CA 1 ATOM 2299 C C . ALA A 1 307 ? -5.633 11.393 14.480 1.00 4.24 ? 307 ALA A C 1 ATOM 2300 O O . ALA A 1 307 ? -6.037 10.705 15.422 1.00 4.34 ? 307 ALA A O 1 ATOM 2301 C CB . ALA A 1 307 ? -5.754 13.847 14.929 1.00 4.34 ? 307 ALA A CB 1 ATOM 2302 N N . HIS A 1 308 ? -4.574 11.057 13.737 1.00 4.13 ? 308 HIS A N 1 ATOM 2303 C CA . HIS A 1 308 ? -3.859 9.785 13.914 1.00 4.26 ? 308 HIS A CA 1 ATOM 2304 C C . HIS A 1 308 ? -3.573 9.430 15.370 1.00 4.40 ? 308 HIS A C 1 ATOM 2305 O O . HIS A 1 308 ? -3.973 8.357 15.837 1.00 4.59 ? 308 HIS A O 1 ATOM 2306 C CB . HIS A 1 308 ? -2.557 9.787 13.103 1.00 4.32 ? 308 HIS A CB 1 ATOM 2307 C CG . HIS A 1 308 ? -1.796 8.494 13.161 1.00 3.82 ? 308 HIS A CG 1 ATOM 2308 N ND1 . HIS A 1 308 ? -2.232 7.347 12.531 1.00 4.20 ? 308 HIS A ND1 1 ATOM 2309 C CD2 . HIS A 1 308 ? -0.621 8.173 13.755 1.00 4.07 ? 308 HIS A CD2 1 ATOM 2310 C CE1 . HIS A 1 308 ? -1.358 6.377 12.736 1.00 3.87 ? 308 HIS A CE1 1 ATOM 2311 N NE2 . HIS A 1 308 ? -0.363 6.854 13.467 1.00 2.87 ? 308 HIS A NE2 1 ATOM 2312 N N . VAL A 1 309 ? -2.879 10.309 16.083 1.00 4.13 ? 309 VAL A N 1 ATOM 2313 C CA . VAL A 1 309 ? -2.442 9.936 17.436 1.00 4.51 ? 309 VAL A CA 1 ATOM 2314 C C . VAL A 1 309 ? -3.606 9.811 18.412 1.00 4.01 ? 309 VAL A C 1 ATOM 2315 O O . VAL A 1 309 ? -3.551 9.005 19.352 1.00 4.15 ? 309 VAL A O 1 ATOM 2316 C CB . VAL A 1 309 ? -1.315 10.837 18.021 1.00 4.28 ? 309 VAL A CB 1 ATOM 2317 C CG1 . VAL A 1 309 ? -0.065 10.765 17.132 1.00 5.15 ? 309 VAL A CG1 1 ATOM 2318 C CG2 . VAL A 1 309 ? -1.770 12.289 18.207 1.00 4.67 ? 309 VAL A CG2 1 ATOM 2319 N N . ARG A 1 310 ? -4.670 10.575 18.157 1.00 4.29 ? 310 ARG A N 1 ATOM 2320 C CA . ARG A 1 310 ? -5.865 10.542 18.996 1.00 4.25 ? 310 ARG A CA 1 ATOM 2321 C C . ARG A 1 310 ? -6.666 9.260 18.773 1.00 4.81 ? 310 ARG A C 1 ATOM 2322 O O . ARG A 1 310 ? -7.186 8.676 19.727 1.00 5.27 ? 310 ARG A O 1 ATOM 2323 C CB . ARG A 1 310 ? -6.715 11.786 18.750 1.00 4.22 ? 310 ARG A CB 1 ATOM 2324 C CG . ARG A 1 310 ? -7.922 11.887 19.653 1.00 4.07 ? 310 ARG A CG 1 ATOM 2325 C CD . ARG A 1 310 ? -8.513 13.276 19.563 1.00 5.37 ? 310 ARG A CD 1 ATOM 2326 N NE . ARG A 1 310 ? -9.537 13.478 20.584 1.00 5.02 ? 310 ARG A NE 1 ATOM 2327 C CZ . ARG A 1 310 ? -10.143 14.638 20.813 1.00 5.23 ? 310 ARG A CZ 1 ATOM 2328 N NH1 . ARG A 1 310 ? -9.834 15.713 20.088 1.00 6.24 ? 310 ARG A NH1 1 ATOM 2329 N NH2 . ARG A 1 310 ? -11.044 14.718 21.782 1.00 6.02 ? 310 ARG A NH2 1 ATOM 2330 N N . LYS A 1 311 ? -6.737 8.815 17.521 1.00 5.07 ? 311 LYS A N 1 ATOM 2331 C CA . LYS A 1 311 ? -7.383 7.549 17.183 1.00 5.10 ? 311 LYS A CA 1 ATOM 2332 C C . LYS A 1 311 ? -6.651 6.339 17.735 1.00 4.80 ? 311 LYS A C 1 ATOM 2333 O O . LYS A 1 311 ? -7.285 5.408 18.231 1.00 4.93 ? 311 LYS A O 1 ATOM 2334 C CB . LYS A 1 311 ? -7.516 7.404 15.667 1.00 5.00 ? 311 LYS A CB 1 ATOM 2335 C CG . LYS A 1 311 ? -8.625 8.247 15.048 1.00 4.65 ? 311 LYS A CG 1 ATOM 2336 C CD . LYS A 1 311 ? -9.986 7.567 15.143 1.00 5.80 ? 311 LYS A CD 1 ATOM 2337 C CE . LYS A 1 311 ? -10.850 7.898 13.939 1.00 6.31 ? 311 LYS A CE 1 ATOM 2338 N NZ . LYS A 1 311 ? -12.039 6.990 13.899 1.00 5.98 ? 311 LYS A NZ 1 ATOM 2339 N N . THR A 1 312 ? -5.317 6.347 17.659 1.00 4.74 ? 312 THR A N 1 ATOM 2340 C CA . THR A 1 312 ? -4.534 5.185 18.081 1.00 5.31 ? 312 THR A CA 1 ATOM 2341 C C . THR A 1 312 ? -4.230 5.160 19.579 1.00 4.66 ? 312 THR A C 1 ATOM 2342 O O . THR A 1 312 ? -3.955 4.089 20.133 1.00 5.24 ? 312 THR A O 1 ATOM 2343 C CB . THR A 1 312 ? -3.236 5.032 17.281 1.00 5.46 ? 312 THR A CB 1 ATOM 2344 O OG1 . THR A 1 312 ? -2.408 6.171 17.519 1.00 5.82 ? 312 THR A OG1 1 ATOM 2345 C CG2 . THR A 1 312 ? -3.520 4.892 15.773 1.00 6.40 ? 312 THR A CG2 1 ATOM 2346 N N . ASN A 1 313 ? -4.272 6.329 20.219 1.00 4.99 ? 313 ASN A N 1 ATOM 2347 C CA . ASN A 1 313 ? -4.203 6.426 21.685 1.00 4.83 ? 313 ASN A CA 1 ATOM 2348 C C . ASN A 1 313 ? -5.175 7.510 22.165 1.00 5.31 ? 313 ASN A C 1 ATOM 2349 O O . ASN A 1 313 ? -4.822 8.688 22.238 1.00 5.15 ? 313 ASN A O 1 ATOM 2350 C CB . ASN A 1 313 ? -2.782 6.704 22.200 1.00 4.53 ? 313 ASN A CB 1 ATOM 2351 C CG . ASN A 1 313 ? -2.732 6.829 23.717 1.00 5.83 ? 313 ASN A CG 1 ATOM 2352 O OD1 . ASN A 1 313 ? -3.744 6.628 24.405 1.00 7.75 ? 313 ASN A OD1 1 ATOM 2353 N ND2 . ASN A 1 313 ? -1.569 7.175 24.244 1.00 7.04 ? 313 ASN A ND2 1 ATOM 2354 N N . PRO A 1 314 ? -6.412 7.113 22.486 1.00 5.35 ? 314 PRO A N 1 ATOM 2355 C CA . PRO A 1 314 ? -7.463 8.093 22.771 1.00 5.42 ? 314 PRO A CA 1 ATOM 2356 C C . PRO A 1 314 ? -7.349 8.852 24.085 1.00 5.12 ? 314 PRO A C 1 ATOM 2357 O O . PRO A 1 314 ? -8.084 9.812 24.279 1.00 5.06 ? 314 PRO A O 1 ATOM 2358 C CB . PRO A 1 314 ? -8.738 7.240 22.776 1.00 5.65 ? 314 PRO A CB 1 ATOM 2359 C CG . PRO A 1 314 ? -8.383 6.022 21.966 1.00 6.74 ? 314 PRO A CG 1 ATOM 2360 C CD . PRO A 1 314 ? -6.961 5.760 22.293 1.00 5.26 ? 314 PRO A CD 1 ATOM 2361 N N . ARG A 1 315 ? -6.465 8.418 24.982 1.00 5.10 ? 315 ARG A N 1 ATOM 2362 C CA . ARG A 1 315 ? -6.251 9.109 26.261 1.00 5.52 ? 315 ARG A CA 1 ATOM 2363 C C . ARG A 1 315 ? -7.602 9.386 26.943 1.00 6.15 ? 315 ARG A C 1 ATOM 2364 O O . ARG A 1 315 ? -8.395 8.448 27.132 1.00 6.69 ? 315 ARG A O 1 ATOM 2365 C CB . ARG A 1 315 ? -5.368 10.364 26.064 1.00 5.58 ? 315 ARG A CB 1 ATOM 2366 C CG . ARG A 1 315 ? -4.047 10.036 25.381 1.00 5.28 ? 315 ARG A CG 1 ATOM 2367 C CD . ARG A 1 315 ? -3.081 11.227 25.281 1.00 5.69 ? 315 ARG A CD 1 ATOM 2368 N NE . ARG A 1 315 ? -1.929 10.838 24.466 1.00 5.24 ? 315 ARG A NE 1 ATOM 2369 C CZ . ARG A 1 315 ? -0.659 11.179 24.685 1.00 5.20 ? 315 ARG A CZ 1 ATOM 2370 N NH1 . ARG A 1 315 ? -0.334 11.994 25.688 1.00 5.96 ? 315 ARG A NH1 1 ATOM 2371 N NH2 . ARG A 1 315 ? 0.297 10.708 23.888 1.00 4.78 ? 315 ARG A NH2 1 ATOM 2372 N N . GLN A 1 316 ? -7.896 10.643 27.288 1.00 7.02 ? 316 GLN A N 1 ATOM 2373 C CA . GLN A 1 316 ? -9.120 10.914 28.047 1.00 7.47 ? 316 GLN A CA 1 ATOM 2374 C C . GLN A 1 316 ? -10.415 10.704 27.267 1.00 7.73 ? 316 GLN A C 1 ATOM 2375 O O . GLN A 1 316 ? -11.484 10.672 27.872 1.00 8.14 ? 316 GLN A O 1 ATOM 2376 C CB . GLN A 1 316 ? -9.082 12.303 28.704 1.00 8.54 ? 316 GLN A CB 1 ATOM 2377 C CG . GLN A 1 316 ? -10.123 12.539 29.809 1.00 11.71 ? 316 GLN A CG 1 ATOM 2378 C CD . GLN A 1 316 ? -9.934 11.659 31.051 1.00 13.61 ? 316 GLN A CD 1 ATOM 2379 O OE1 . GLN A 1 316 ? -8.849 11.149 31.329 1.00 15.43 ? 316 GLN A OE1 1 ATOM 2380 N NE2 . GLN A 1 316 ? -11.014 11.492 31.804 1.00 17.58 ? 316 GLN A NE2 1 ATOM 2381 N N . ASP A 1 317 ? -10.339 10.512 25.948 1.00 6.88 ? 317 ASP A N 1 ATOM 2382 C CA . ASP A 1 317 ? -11.535 10.126 25.198 1.00 7.53 ? 317 ASP A CA 1 ATOM 2383 C C . ASP A 1 317 ? -12.140 8.814 25.726 1.00 8.23 ? 317 ASP A C 1 ATOM 2384 O O . ASP A 1 317 ? -13.331 8.572 25.530 1.00 9.27 ? 317 ASP A O 1 ATOM 2385 C CB . ASP A 1 317 ? -11.242 9.983 23.702 1.00 7.09 ? 317 ASP A CB 1 ATOM 2386 C CG . ASP A 1 317 ? -11.078 11.316 22.986 1.00 8.02 ? 317 ASP A CG 1 ATOM 2387 O OD1 . ASP A 1 317 ? -11.647 12.351 23.418 1.00 7.57 ? 317 ASP A OD1 1 ATOM 2388 O OD2 . ASP A 1 317 ? -10.399 11.314 21.934 1.00 7.46 ? 317 ASP A OD2 1 ATOM 2389 N N . LEU A 1 318 ? -11.330 7.985 26.386 1.00 9.17 ? 318 LEU A N 1 ATOM 2390 C CA . LEU A 1 318 ? -11.829 6.742 27.017 1.00 10.83 ? 318 LEU A CA 1 ATOM 2391 C C . LEU A 1 318 ? -12.383 6.934 28.431 1.00 11.84 ? 318 LEU A C 1 ATOM 2392 O O . LEU A 1 318 ? -12.852 5.967 29.055 1.00 13.06 ? 318 LEU A O 1 ATOM 2393 C CB . LEU A 1 318 ? -10.739 5.659 27.036 1.00 10.63 ? 318 LEU A CB 1 ATOM 2394 C CG . LEU A 1 318 ? -10.125 5.227 25.702 1.00 12.24 ? 318 LEU A CG 1 ATOM 2395 C CD1 . LEU A 1 318 ? -9.083 4.121 25.907 1.00 13.35 ? 318 LEU A CD1 1 ATOM 2396 C CD2 . LEU A 1 318 ? -11.190 4.793 24.709 1.00 13.80 ? 318 LEU A CD2 1 ATOM 2397 N N . GLY A 1 319 ? -12.330 8.162 28.939 1.00 12.02 ? 319 GLY A N 1 ATOM 2398 C CA . GLY A 1 319 ? -12.904 8.484 30.260 1.00 12.69 ? 319 GLY A CA 1 ATOM 2399 C C . GLY A 1 319 ? -11.911 8.412 31.405 1.00 13.39 ? 319 GLY A C 1 ATOM 2400 O O . GLY A 1 319 ? -12.214 8.787 32.548 1.00 14.11 ? 319 GLY A O 1 ATOM 2401 N N . GLY A 1 320 ? -10.714 7.925 31.110 1.00 13.41 ? 320 GLY A N 1 ATOM 2402 C CA . GLY A 1 320 ? -9.648 7.844 32.096 1.00 13.30 ? 320 GLY A CA 1 ATOM 2403 C C . GLY A 1 320 ? -8.551 6.927 31.589 1.00 13.14 ? 320 GLY A C 1 ATOM 2404 O O . GLY A 1 320 ? -8.659 6.410 30.473 1.00 12.72 ? 320 GLY A O 1 ATOM 2405 N N . PRO A 1 321 ? -7.493 6.726 32.393 1.00 13.13 ? 321 PRO A N 1 ATOM 2406 C CA . PRO A 1 321 ? -6.441 5.787 32.006 1.00 12.52 ? 321 PRO A CA 1 ATOM 2407 C C . PRO A 1 321 ? -7.008 4.383 31.791 1.00 11.43 ? 321 PRO A C 1 ATOM 2408 O O . PRO A 1 321 ? -7.869 3.913 32.546 1.00 11.29 ? 321 PRO A O 1 ATOM 2409 C CB . PRO A 1 321 ? -5.465 5.820 33.188 1.00 13.04 ? 321 PRO A CB 1 ATOM 2410 C CG . PRO A 1 321 ? -5.758 7.099 33.902 1.00 14.60 ? 321 PRO A CG 1 ATOM 2411 C CD . PRO A 1 321 ? -7.210 7.370 33.692 1.00 13.63 ? 321 PRO A CD 1 ATOM 2412 N N . VAL A 1 322 ? -6.566 3.750 30.713 1.00 10.10 ? 322 VAL A N 1 ATOM 2413 C CA . VAL A 1 322 ? -6.947 2.381 30.381 1.00 9.48 ? 322 VAL A CA 1 ATOM 2414 C C . VAL A 1 322 ? -5.663 1.660 29.967 1.00 9.13 ? 322 VAL A C 1 ATOM 2415 O O . VAL A 1 322 ? -4.938 2.136 29.098 1.00 9.24 ? 322 VAL A O 1 ATOM 2416 C CB . VAL A 1 322 ? -8.009 2.350 29.243 1.00 9.13 ? 322 VAL A CB 1 ATOM 2417 C CG1 . VAL A 1 322 ? -8.280 0.917 28.786 1.00 9.71 ? 322 VAL A CG1 1 ATOM 2418 C CG2 . VAL A 1 322 ? -9.310 3.014 29.696 1.00 10.08 ? 322 VAL A CG2 1 ATOM 2419 N N . ASP A 1 323 ? -5.373 0.523 30.596 1.00 8.80 ? 323 ASP A N 1 ATOM 2420 C CA . ASP A 1 323 ? -4.119 -0.206 30.340 1.00 8.74 ? 323 ASP A CA 1 ATOM 2421 C C . ASP A 1 323 ? -4.124 -0.951 29.008 1.00 8.06 ? 323 ASP A C 1 ATOM 2422 O O . ASP A 1 323 ? -3.077 -1.110 28.363 1.00 8.46 ? 323 ASP A O 1 ATOM 2423 C CB . ASP A 1 323 ? -3.889 -1.281 31.412 1.00 9.48 ? 323 ASP A CB 1 ATOM 2424 C CG . ASP A 1 323 ? -3.639 -0.716 32.795 1.00 11.71 ? 323 ASP A CG 1 ATOM 2425 O OD1 . ASP A 1 323 ? -3.181 0.441 32.926 1.00 14.76 ? 323 ASP A OD1 1 ATOM 2426 O OD2 . ASP A 1 323 ? -3.876 -1.484 33.760 1.00 14.73 ? 323 ASP A OD2 1 ATOM 2427 N N . THR A 1 324 ? -5.310 -1.404 28.626 1.00 7.46 ? 324 THR A N 1 ATOM 2428 C CA . THR A 1 324 ? -5.489 -2.566 27.757 1.00 6.58 ? 324 THR A CA 1 ATOM 2429 C C . THR A 1 324 ? -4.965 -2.426 26.335 1.00 6.22 ? 324 THR A C 1 ATOM 2430 O O . THR A 1 324 ? -4.524 -3.419 25.733 1.00 5.75 ? 324 THR A O 1 ATOM 2431 C CB . THR A 1 324 ? -6.982 -2.936 27.724 1.00 6.71 ? 324 THR A CB 1 ATOM 2432 O OG1 . THR A 1 324 ? -7.466 -2.974 29.074 1.00 7.80 ? 324 THR A OG1 1 ATOM 2433 C CG2 . THR A 1 324 ? -7.212 -4.289 27.069 1.00 7.39 ? 324 THR A CG2 1 ATOM 2434 N N . PHE A 1 325 ? -5.018 -1.209 25.796 1.00 6.07 ? 325 PHE A N 1 ATOM 2435 C CA . PHE A 1 325 ? -4.843 -1.021 24.357 1.00 5.99 ? 325 PHE A CA 1 ATOM 2436 C C . PHE A 1 325 ? -3.563 -0.316 23.986 1.00 5.64 ? 325 PHE A C 1 ATOM 2437 O O . PHE A 1 325 ? -3.421 0.168 22.868 1.00 5.09 ? 325 PHE A O 1 ATOM 2438 C CB . PHE A 1 325 ? -6.059 -0.318 23.757 1.00 6.26 ? 325 PHE A CB 1 ATOM 2439 C CG . PHE A 1 325 ? -7.358 -0.897 24.223 1.00 6.39 ? 325 PHE A CG 1 ATOM 2440 C CD1 . PHE A 1 325 ? -7.775 -2.159 23.781 1.00 6.59 ? 325 PHE A CD1 1 ATOM 2441 C CD2 . PHE A 1 325 ? -8.161 -0.188 25.109 1.00 7.38 ? 325 PHE A CD2 1 ATOM 2442 C CE1 . PHE A 1 325 ? -8.994 -2.710 24.224 1.00 8.62 ? 325 PHE A CE1 1 ATOM 2443 C CE2 . PHE A 1 325 ? -9.381 -0.732 25.561 1.00 8.39 ? 325 PHE A CE2 1 ATOM 2444 C CZ . PHE A 1 325 ? -9.789 -1.992 25.117 1.00 8.10 ? 325 PHE A CZ 1 ATOM 2445 N N . HIS A 1 326 ? -2.625 -0.261 24.925 1.00 5.32 ? 326 HIS A N 1 ATOM 2446 C CA . HIS A 1 326 ? -1.310 0.315 24.658 1.00 5.30 ? 326 HIS A CA 1 ATOM 2447 C C . HIS A 1 326 ? -0.399 -0.712 24.008 1.00 5.10 ? 326 HIS A C 1 ATOM 2448 O O . HIS A 1 326 ? -0.536 -1.910 24.237 1.00 5.69 ? 326 HIS A O 1 ATOM 2449 C CB . HIS A 1 326 ? -0.678 0.863 25.943 1.00 5.75 ? 326 HIS A CB 1 ATOM 2450 C CG . HIS A 1 326 ? -1.399 2.045 26.503 1.00 6.27 ? 326 HIS A CG 1 ATOM 2451 N ND1 . HIS A 1 326 ? -1.198 3.328 26.042 1.00 6.15 ? 326 HIS A ND1 1 ATOM 2452 C CD2 . HIS A 1 326 ? -2.349 2.134 27.464 1.00 7.47 ? 326 HIS A CD2 1 ATOM 2453 C CE1 . HIS A 1 326 ? -1.993 4.158 26.697 1.00 7.25 ? 326 HIS A CE1 1 ATOM 2454 N NE2 . HIS A 1 326 ? -2.696 3.459 27.569 1.00 8.78 ? 326 HIS A NE2 1 ATOM 2455 N N . ALA A 1 327 ? 0.534 -0.238 23.193 1.00 4.78 ? 327 ALA A N 1 ATOM 2456 C CA . ALA A 1 327 ? 1.505 -1.124 22.552 1.00 5.02 ? 327 ALA A CA 1 ATOM 2457 C C . ALA A 1 327 ? 2.815 -0.383 22.308 1.00 4.97 ? 327 ALA A C 1 ATOM 2458 O O . ALA A 1 327 ? 2.821 0.844 22.230 1.00 5.49 ? 327 ALA A O 1 ATOM 2459 C CB . ALA A 1 327 ? 0.941 -1.671 21.243 1.00 5.51 ? 327 ALA A CB 1 ATOM 2460 N N . MET A 1 328 ? 3.920 -1.132 22.219 1.00 5.21 ? 328 MET A N 1 ATOM 2461 C CA . MET A 1 328 ? 5.227 -0.570 21.888 1.00 5.60 ? 328 MET A CA 1 ATOM 2462 C C . MET A 1 328 ? 5.429 -0.534 20.385 1.00 5.74 ? 328 MET A C 1 ATOM 2463 O O . MET A 1 328 ? 5.022 -1.463 19.681 1.00 6.04 ? 328 MET A O 1 ATOM 2464 C CB . MET A 1 328 ? 6.336 -1.445 22.467 1.00 5.38 ? 328 MET A CB 1 ATOM 2465 C CG . MET A 1 328 ? 6.406 -1.497 23.982 1.00 7.22 ? 328 MET A CG 1 ATOM 2466 S SD . MET A 1 328 ? 6.826 0.093 24.738 1.00 8.09 ? 328 MET A SD 1 ATOM 2467 C CE . MET A 1 328 ? 8.364 0.538 23.935 1.00 14.40 ? 328 MET A CE 1 ATOM 2468 N N . ARG A 1 329 ? 6.087 0.515 19.896 1.00 5.10 ? 329 ARG A N 1 ATOM 2469 C CA . ARG A 1 329 ? 6.404 0.620 18.470 1.00 6.08 ? 329 ARG A CA 1 ATOM 2470 C C . ARG A 1 329 ? 7.903 0.731 18.256 1.00 5.68 ? 329 ARG A C 1 ATOM 2471 O O . ARG A 1 329 ? 8.604 1.425 19.007 1.00 6.49 ? 329 ARG A O 1 ATOM 2472 C CB . ARG A 1 329 ? 5.691 1.822 17.844 1.00 6.13 ? 329 ARG A CB 1 ATOM 2473 C CG . ARG A 1 329 ? 4.167 1.674 17.774 1.00 6.18 ? 329 ARG A CG 1 ATOM 2474 C CD . ARG A 1 329 ? 3.443 2.988 17.445 1.00 5.16 ? 329 ARG A CD 1 ATOM 2475 N NE . ARG A 1 329 ? 3.849 4.040 18.386 1.00 4.84 ? 329 ARG A NE 1 ATOM 2476 C CZ . ARG A 1 329 ? 4.448 5.184 18.057 1.00 5.96 ? 329 ARG A CZ 1 ATOM 2477 N NH1 . ARG A 1 329 ? 4.703 5.505 16.791 1.00 5.88 ? 329 ARG A NH1 1 ATOM 2478 N NH2 . ARG A 1 329 ? 4.801 6.028 19.017 1.00 6.53 ? 329 ARG A NH2 1 ATOM 2479 N N . SER A 1 330 ? 8.400 0.028 17.240 1.00 5.49 ? 330 SER A N 1 ATOM 2480 C CA . SER A 1 330 ? 9.819 0.095 16.880 1.00 6.11 ? 330 SER A CA 1 ATOM 2481 C C . SER A 1 330 ? 9.982 0.063 15.360 1.00 6.22 ? 330 SER A C 1 ATOM 2482 O O . SER A 1 330 ? 10.596 -0.841 14.795 1.00 6.98 ? 330 SER A O 1 ATOM 2483 C CB . SER A 1 330 ? 10.588 -1.047 17.549 1.00 6.03 ? 330 SER A CB 1 ATOM 2484 O OG . SER A 1 330 ? 11.988 -0.791 17.505 1.00 8.31 ? 330 SER A OG 1 ATOM 2485 N N . SER A 1 331 ? 9.416 1.067 14.702 1.00 6.68 ? 331 SER A N 1 ATOM 2486 C CA . SER A 1 331 ? 9.392 1.100 13.243 1.00 6.75 ? 331 SER A CA 1 ATOM 2487 C C . SER A 1 331 ? 10.575 1.856 12.683 1.00 7.04 ? 331 SER A C 1 ATOM 2488 O O . SER A 1 331 ? 11.240 2.619 13.400 1.00 8.74 ? 331 SER A O 1 ATOM 2489 C CB . SER A 1 331 ? 8.117 1.768 12.756 1.00 6.91 ? 331 SER A CB 1 ATOM 2490 O OG . SER A 1 331 ? 7.011 1.175 13.399 1.00 6.93 ? 331 SER A OG 1 ATOM 2491 N N . ILE A 1 332 ? 10.831 1.654 11.397 1.00 6.53 ? 332 ILE A N 1 ATOM 2492 C CA . ILE A 1 332 ? 11.896 2.394 10.723 1.00 7.08 ? 332 ILE A CA 1 ATOM 2493 C C . ILE A 1 332 ? 11.446 2.776 9.304 1.00 6.47 ? 332 ILE A C 1 ATOM 2494 O O . ILE A 1 332 ? 10.841 1.966 8.607 1.00 6.21 ? 332 ILE A O 1 ATOM 2495 C CB . ILE A 1 332 ? 13.242 1.599 10.722 1.00 6.62 ? 332 ILE A CB 1 ATOM 2496 C CG1 . ILE A 1 332 ? 14.411 2.516 10.328 1.00 8.22 ? 332 ILE A CG1 1 ATOM 2497 C CG2 . ILE A 1 332 ? 13.163 0.347 9.829 1.00 8.41 ? 332 ILE A CG2 1 ATOM 2498 C CD1 . ILE A 1 332 ? 15.761 1.932 10.610 1.00 10.05 ? 332 ILE A CD1 1 ATOM 2499 N N . PRO A 1 333 ? 11.754 4.013 8.862 1.00 6.12 ? 333 PRO A N 1 ATOM 2500 C CA . PRO A 1 333 ? 11.467 4.353 7.465 1.00 6.82 ? 333 PRO A CA 1 ATOM 2501 C C . PRO A 1 333 ? 12.326 3.545 6.506 1.00 7.20 ? 333 PRO A C 1 ATOM 2502 O O . PRO A 1 333 ? 13.367 3.005 6.899 1.00 7.60 ? 333 PRO A O 1 ATOM 2503 C CB . PRO A 1 333 ? 11.859 5.834 7.375 1.00 6.73 ? 333 PRO A CB 1 ATOM 2504 C CG . PRO A 1 333 ? 11.758 6.338 8.786 1.00 6.87 ? 333 PRO A CG 1 ATOM 2505 C CD . PRO A 1 333 ? 12.233 5.186 9.619 1.00 6.75 ? 333 PRO A CD 1 ATOM 2506 N N . TYR A 1 334 ? 11.892 3.466 5.257 1.00 7.26 ? 334 TYR A N 1 ATOM 2507 C CA . TYR A 1 334 ? 12.742 2.908 4.215 1.00 7.89 ? 334 TYR A CA 1 ATOM 2508 C C . TYR A 1 334 ? 12.607 3.726 2.954 1.00 8.43 ? 334 TYR A C 1 ATOM 2509 O O . TYR A 1 334 ? 11.599 4.396 2.743 1.00 7.82 ? 334 TYR A O 1 ATOM 2510 C CB . TYR A 1 334 ? 12.409 1.438 3.946 1.00 8.19 ? 334 TYR A CB 1 ATOM 2511 C CG . TYR A 1 334 ? 11.207 1.221 3.068 1.00 8.30 ? 334 TYR A CG 1 ATOM 2512 C CD1 . TYR A 1 334 ? 11.329 1.203 1.675 1.00 9.48 ? 334 TYR A CD1 1 ATOM 2513 C CD2 . TYR A 1 334 ? 9.946 1.026 3.622 1.00 7.60 ? 334 TYR A CD2 1 ATOM 2514 C CE1 . TYR A 1 334 ? 10.220 1.001 0.865 1.00 10.41 ? 334 TYR A CE1 1 ATOM 2515 C CE2 . TYR A 1 334 ? 8.833 0.816 2.816 1.00 8.76 ? 334 TYR A CE2 1 ATOM 2516 C CZ . TYR A 1 334 ? 8.979 0.810 1.442 1.00 9.35 ? 334 TYR A CZ 1 ATOM 2517 O OH . TYR A 1 334 ? 7.862 0.608 0.666 1.00 10.33 ? 334 TYR A OH 1 ATOM 2518 N N . GLY A 1 335 ? 13.631 3.649 2.112 1.00 9.14 ? 335 GLY A N 1 ATOM 2519 C CA . GLY A 1 335 ? 13.588 4.274 0.802 1.00 9.68 ? 335 GLY A CA 1 ATOM 2520 C C . GLY A 1 335 ? 14.275 5.619 0.755 1.00 10.15 ? 335 GLY A C 1 ATOM 2521 O O . GLY A 1 335 ? 14.617 6.204 1.791 1.00 10.19 ? 335 GLY A O 1 ATOM 2522 N N . PRO A 1 336 ? 14.499 6.121 -0.471 1.00 10.71 ? 336 PRO A N 1 ATOM 2523 C CA . PRO A 1 336 ? 15.210 7.361 -0.672 1.00 11.09 ? 336 PRO A CA 1 ATOM 2524 C C . PRO A 1 336 ? 14.344 8.565 -0.340 1.00 11.85 ? 336 PRO A C 1 ATOM 2525 O O . PRO A 1 336 ? 13.103 8.461 -0.280 1.00 11.84 ? 336 PRO A O 1 ATOM 2526 C CB . PRO A 1 336 ? 15.524 7.328 -2.173 1.00 11.28 ? 336 PRO A CB 1 ATOM 2527 C CG . PRO A 1 336 ? 14.367 6.614 -2.751 1.00 10.68 ? 336 PRO A CG 1 ATOM 2528 C CD . PRO A 1 336 ? 14.014 5.552 -1.739 1.00 10.88 ? 336 PRO A CD 1 ATOM 2529 N N . GLU A 1 337 ? 15.003 9.695 -0.122 1.00 12.25 ? 337 GLU A N 1 ATOM 2530 C CA . GLU A 1 337 ? 14.323 10.967 0.029 1.00 13.00 ? 337 GLU A CA 1 ATOM 2531 C C . GLU A 1 337 ? 13.490 11.289 -1.201 1.00 13.96 ? 337 GLU A C 1 ATOM 2532 O O . GLU A 1 337 ? 13.758 10.792 -2.302 1.00 14.05 ? 337 GLU A O 1 ATOM 2533 C CB . GLU A 1 337 ? 15.342 12.070 0.303 1.00 12.71 ? 337 GLU A CB 1 ATOM 2534 C CG . GLU A 1 337 ? 16.042 11.892 1.640 1.00 12.03 ? 337 GLU A CG 1 ATOM 2535 C CD . GLU A 1 337 ? 15.065 12.010 2.790 1.00 11.66 ? 337 GLU A CD 1 ATOM 2536 O OE1 . GLU A 1 337 ? 14.687 13.155 3.098 1.00 12.93 ? 337 GLU A OE1 1 ATOM 2537 O OE2 . GLU A 1 337 ? 14.687 10.963 3.370 1.00 11.61 ? 337 GLU A OE2 1 ATOM 2538 N N . THR A 1 338 ? 12.449 12.087 -0.989 1.00 15.27 ? 338 THR A N 1 ATOM 2539 C CA . THR A 1 338 ? 11.577 12.525 -2.058 1.00 16.77 ? 338 THR A CA 1 ATOM 2540 C C . THR A 1 338 ? 12.228 13.741 -2.714 1.00 18.36 ? 338 THR A C 1 ATOM 2541 O O . THR A 1 338 ? 12.452 14.760 -2.057 1.00 18.48 ? 338 THR A O 1 ATOM 2542 C CB . THR A 1 338 ? 10.163 12.870 -1.516 1.00 16.21 ? 338 THR A CB 1 ATOM 2543 O OG1 . THR A 1 338 ? 9.668 11.777 -0.724 1.00 15.10 ? 338 THR A OG1 1 ATOM 2544 C CG2 . THR A 1 338 ? 9.191 13.136 -2.655 1.00 16.03 ? 338 THR A CG2 1 ATOM 2545 N N . SER A 1 339 ? 12.539 13.609 -4.003 1.00 20.50 ? 339 SER A N 1 ATOM 2546 C CA . SER A 1 339 ? 13.202 14.663 -4.772 1.00 22.31 ? 339 SER A CA 1 ATOM 2547 C C . SER A 1 339 ? 12.313 15.882 -5.018 1.00 23.39 ? 339 SER A C 1 ATOM 2548 O O . SER A 1 339 ? 11.086 15.825 -4.847 1.00 23.28 ? 339 SER A O 1 ATOM 2549 C CB . SER A 1 339 ? 13.694 14.111 -6.114 1.00 22.62 ? 339 SER A CB 1 ATOM 2550 O OG . SER A 1 339 ? 12.606 13.810 -6.972 1.00 23.02 ? 339 SER A OG 1 ATOM 2551 N N . ASP A 1 340 ? 12.948 16.979 -5.433 1.00 24.61 ? 340 ASP A N 1 ATOM 2552 C CA . ASP A 1 340 ? 12.239 18.200 -5.824 1.00 25.65 ? 340 ASP A CA 1 ATOM 2553 C C . ASP A 1 340 ? 11.301 17.968 -7.014 1.00 25.38 ? 340 ASP A C 1 ATOM 2554 O O . ASP A 1 340 ? 10.183 18.489 -7.035 1.00 25.38 ? 340 ASP A O 1 ATOM 2555 C CB . ASP A 1 340 ? 13.223 19.363 -6.085 1.00 26.39 ? 340 ASP A CB 1 ATOM 2556 C CG . ASP A 1 340 ? 14.354 19.001 -7.058 1.00 28.43 ? 340 ASP A CG 1 ATOM 2557 O OD1 . ASP A 1 340 ? 14.810 17.836 -7.088 1.00 31.04 ? 340 ASP A OD1 1 ATOM 2558 O OD2 . ASP A 1 340 ? 14.812 19.910 -7.788 1.00 31.32 ? 340 ASP A OD2 1 ATOM 2559 N N . ALA A 1 341 ? 11.753 17.163 -7.976 1.00 25.18 ? 341 ALA A N 1 ATOM 2560 C CA . ALA A 1 341 ? 10.959 16.809 -9.159 1.00 24.80 ? 341 ALA A CA 1 ATOM 2561 C C . ALA A 1 341 ? 9.712 16.008 -8.796 1.00 24.18 ? 341 ALA A C 1 ATOM 2562 O O . ALA A 1 341 ? 8.632 16.236 -9.352 1.00 24.49 ? 341 ALA A O 1 ATOM 2563 C CB . ALA A 1 341 ? 11.809 16.035 -10.162 1.00 24.96 ? 341 ALA A CB 1 ATOM 2564 N N . GLU A 1 342 ? 9.871 15.066 -7.866 1.00 23.25 ? 342 GLU A N 1 ATOM 2565 C CA . GLU A 1 342 ? 8.754 14.261 -7.375 1.00 22.12 ? 342 GLU A CA 1 ATOM 2566 C C . GLU A 1 342 ? 7.700 15.100 -6.666 1.00 21.68 ? 342 GLU A C 1 ATOM 2567 O O . GLU A 1 342 ? 6.509 14.956 -6.933 1.00 21.01 ? 342 GLU A O 1 ATOM 2568 C CB . GLU A 1 342 ? 9.252 13.179 -6.422 1.00 21.76 ? 342 GLU A CB 1 ATOM 2569 C CG . GLU A 1 342 ? 9.214 11.786 -6.988 1.00 20.78 ? 342 GLU A CG 1 ATOM 2570 C CD . GLU A 1 342 ? 9.653 10.756 -5.971 1.00 18.30 ? 342 GLU A CD 1 ATOM 2571 O OE1 . GLU A 1 342 ? 8.863 9.832 -5.683 1.00 18.28 ? 342 GLU A OE1 1 ATOM 2572 O OE2 . GLU A 1 342 ? 10.782 10.885 -5.462 1.00 16.44 ? 342 GLU A OE2 1 ATOM 2573 N N . LEU A 1 343 ? 8.143 15.972 -5.764 1.00 21.78 ? 343 LEU A N 1 ATOM 2574 C CA . LEU A 1 343 ? 7.231 16.860 -5.043 1.00 22.33 ? 343 LEU A CA 1 ATOM 2575 C C . LEU A 1 343 ? 6.498 17.810 -5.994 1.00 22.50 ? 343 LEU A C 1 ATOM 2576 O O . LEU A 1 343 ? 5.296 18.045 -5.839 1.00 23.14 ? 343 LEU A O 1 ATOM 2577 C CB . LEU A 1 343 ? 7.981 17.650 -3.967 1.00 22.27 ? 343 LEU A CB 1 ATOM 2578 C CG . LEU A 1 343 ? 8.453 16.903 -2.716 1.00 22.71 ? 343 LEU A CG 1 ATOM 2579 C CD1 . LEU A 1 343 ? 9.376 17.792 -1.892 1.00 24.27 ? 343 LEU A CD1 1 ATOM 2580 C CD2 . LEU A 1 343 ? 7.264 16.413 -1.879 1.00 22.56 ? 343 LEU A CD2 1 ATOM 2581 N N . ALA A 1 344 ? 7.225 18.329 -6.982 1.00 22.36 ? 344 ALA A N 1 ATOM 2582 C CA . ALA A 1 344 ? 6.662 19.239 -7.981 1.00 22.24 ? 344 ALA A CA 1 ATOM 2583 C C . ALA A 1 344 ? 5.578 18.566 -8.827 1.00 22.11 ? 344 ALA A C 1 ATOM 2584 O O . ALA A 1 344 ? 4.551 19.180 -9.134 1.00 22.60 ? 344 ALA A O 1 ATOM 2585 C CB . ALA A 1 344 ? 7.770 19.796 -8.877 1.00 22.16 ? 344 ALA A CB 1 ATOM 2586 N N . SER A 1 345 ? 5.811 17.308 -9.197 1.00 21.44 ? 345 SER A N 1 ATOM 2587 C CA . SER A 1 345 ? 4.878 16.550 -10.029 1.00 20.67 ? 345 SER A CA 1 ATOM 2588 C C . SER A 1 345 ? 3.642 16.102 -9.253 1.00 19.62 ? 345 SER A C 1 ATOM 2589 O O . SER A 1 345 ? 2.583 15.858 -9.837 1.00 19.86 ? 345 SER A O 1 ATOM 2590 C CB . SER A 1 345 ? 5.577 15.329 -10.633 1.00 20.90 ? 345 SER A CB 1 ATOM 2591 O OG . SER A 1 345 ? 5.812 14.330 -9.650 1.00 21.62 ? 345 SER A OG 1 ATOM 2592 N N . GLY A 1 346 ? 3.792 15.978 -7.935 1.00 18.46 ? 346 GLY A N 1 ATOM 2593 C CA . GLY A 1 346 ? 2.739 15.441 -7.077 1.00 16.72 ? 346 GLY A CA 1 ATOM 2594 C C . GLY A 1 346 ? 2.554 13.936 -7.204 1.00 15.52 ? 346 GLY A C 1 ATOM 2595 O O . GLY A 1 346 ? 1.566 13.389 -6.712 1.00 14.60 ? 346 GLY A O 1 ATOM 2596 N N . VAL A 1 347 ? 3.505 13.269 -7.867 1.00 14.70 ? 347 VAL A N 1 ATOM 2597 C CA . VAL A 1 347 ? 3.393 11.838 -8.166 1.00 14.52 ? 347 VAL A CA 1 ATOM 2598 C C . VAL A 1 347 ? 4.611 11.063 -7.663 1.00 13.75 ? 347 VAL A C 1 ATOM 2599 O O . VAL A 1 347 ? 5.758 11.421 -7.946 1.00 13.71 ? 347 VAL A O 1 ATOM 2600 C CB . VAL A 1 347 ? 3.201 11.576 -9.688 1.00 14.57 ? 347 VAL A CB 1 ATOM 2601 C CG1 . VAL A 1 347 ? 3.223 10.089 -9.992 1.00 15.38 ? 347 VAL A CG1 1 ATOM 2602 C CG2 . VAL A 1 347 ? 1.894 12.190 -10.176 1.00 15.00 ? 347 VAL A CG2 1 ATOM 2603 N N . THR A 1 348 ? 4.339 10.003 -6.902 1.00 13.32 ? 348 THR A N 1 ATOM 2604 C CA . THR A 1 348 ? 5.381 9.106 -6.413 1.00 13.37 ? 348 THR A CA 1 ATOM 2605 C C . THR A 1 348 ? 6.093 8.426 -7.582 1.00 13.59 ? 348 THR A C 1 ATOM 2606 O O . THR A 1 348 ? 5.447 7.849 -8.454 1.00 14.34 ? 348 THR A O 1 ATOM 2607 C CB . THR A 1 348 ? 4.789 8.048 -5.461 1.00 12.96 ? 348 THR A CB 1 ATOM 2608 O OG1 . THR A 1 348 ? 4.442 8.675 -4.223 1.00 11.72 ? 348 THR A OG1 1 ATOM 2609 C CG2 . THR A 1 348 ? 5.786 6.930 -5.174 1.00 12.44 ? 348 THR A CG2 1 ATOM 2610 N N . ALA A 1 349 ? 7.419 8.507 -7.565 1.00 13.96 ? 349 ALA A N 1 ATOM 2611 C CA . ALA A 1 349 ? 8.273 7.878 -8.575 1.00 14.43 ? 349 ALA A CA 1 ATOM 2612 C C . ALA A 1 349 ? 9.217 6.837 -7.974 1.00 14.68 ? 349 ALA A C 1 ATOM 2613 O O . ALA A 1 349 ? 9.835 6.060 -8.710 1.00 16.22 ? 349 ALA A O 1 ATOM 2614 C CB . ALA A 1 349 ? 9.086 8.943 -9.309 1.00 14.23 ? 349 ALA A CB 1 ATOM 2615 N N . GLN A 1 350 ? 9.345 6.832 -6.646 1.00 14.35 ? 350 GLN A N 1 ATOM 2616 C CA . GLN A 1 350 ? 10.241 5.900 -5.960 1.00 13.72 ? 350 GLN A CA 1 ATOM 2617 C C . GLN A 1 350 ? 9.537 5.207 -4.799 1.00 13.11 ? 350 GLN A C 1 ATOM 2618 O O . GLN A 1 350 ? 8.633 5.777 -4.182 1.00 12.96 ? 350 GLN A O 1 ATOM 2619 C CB . GLN A 1 350 ? 11.511 6.604 -5.466 1.00 14.26 ? 350 GLN A CB 1 ATOM 2620 C CG . GLN A 1 350 ? 12.334 7.259 -6.580 1.00 16.31 ? 350 GLN A CG 1 ATOM 2621 C CD . GLN A 1 350 ? 13.545 8.008 -6.061 1.00 19.68 ? 350 GLN A CD 1 ATOM 2622 O OE1 . GLN A 1 350 ? 13.450 9.172 -5.648 1.00 22.56 ? 350 GLN A OE1 1 ATOM 2623 N NE2 . GLN A 1 350 ? 14.698 7.351 -6.087 1.00 21.36 ? 350 GLN A NE2 1 ATOM 2624 N N . ASP A 1 351 ? 9.967 3.980 -4.520 1.00 12.05 ? 351 ASP A N 1 ATOM 2625 C CA . ASP A 1 351 ? 9.441 3.174 -3.416 1.00 11.29 ? 351 ASP A CA 1 ATOM 2626 C C . ASP A 1 351 ? 10.045 3.628 -2.090 1.00 10.09 ? 351 ASP A C 1 ATOM 2627 O O . ASP A 1 351 ? 11.258 3.528 -1.877 1.00 10.32 ? 351 ASP A O 1 ATOM 2628 C CB . ASP A 1 351 ? 9.753 1.691 -3.667 1.00 11.28 ? 351 ASP A CB 1 ATOM 2629 C CG . ASP A 1 351 ? 9.145 0.772 -2.616 1.00 13.50 ? 351 ASP A CG 1 ATOM 2630 O OD1 . ASP A 1 351 ? 8.194 1.187 -1.907 1.00 13.82 ? 351 ASP A OD1 1 ATOM 2631 O OD2 . ASP A 1 351 ? 9.617 -0.379 -2.511 1.00 17.92 ? 351 ASP A OD2 1 ATOM 2632 N N . ARG A 1 352 ? 9.183 4.127 -1.202 1.00 8.74 ? 352 ARG A N 1 ATOM 2633 C CA . ARG A 1 352 ? 9.591 4.556 0.133 1.00 7.57 ? 352 ARG A CA 1 ATOM 2634 C C . ARG A 1 352 ? 8.415 4.326 1.074 1.00 6.71 ? 352 ARG A C 1 ATOM 2635 O O . ARG A 1 352 ? 7.267 4.234 0.631 1.00 6.59 ? 352 ARG A O 1 ATOM 2636 C CB . ARG A 1 352 ? 10.011 6.034 0.154 1.00 7.27 ? 352 ARG A CB 1 ATOM 2637 C CG . ARG A 1 352 ? 8.894 7.001 -0.226 1.00 7.07 ? 352 ARG A CG 1 ATOM 2638 C CD . ARG A 1 352 ? 9.345 8.442 -0.193 1.00 8.32 ? 352 ARG A CD 1 ATOM 2639 N NE . ARG A 1 352 ? 10.439 8.725 -1.134 1.00 8.71 ? 352 ARG A NE 1 ATOM 2640 C CZ . ARG A 1 352 ? 10.266 9.035 -2.417 1.00 8.64 ? 352 ARG A CZ 1 ATOM 2641 N NH1 . ARG A 1 352 ? 9.048 9.089 -2.954 1.00 7.97 ? 352 ARG A NH1 1 ATOM 2642 N NH2 . ARG A 1 352 ? 11.330 9.288 -3.174 1.00 8.89 ? 352 ARG A NH2 1 ATOM 2643 N N . GLY A 1 353 ? 8.692 4.269 2.369 1.00 6.10 ? 353 GLY A N 1 ATOM 2644 C CA . GLY A 1 353 ? 7.606 4.067 3.326 1.00 5.77 ? 353 GLY A CA 1 ATOM 2645 C C . GLY A 1 353 ? 8.116 3.737 4.706 1.00 5.05 ? 353 GLY A C 1 ATOM 2646 O O . GLY A 1 353 ? 9.110 4.297 5.159 1.00 5.07 ? 353 GLY A O 1 ATOM 2647 N N . LEU A 1 354 ? 7.380 2.861 5.385 1.00 5.01 ? 354 LEU A N 1 ATOM 2648 C CA . LEU A 1 354 ? 7.628 2.541 6.785 1.00 4.69 ? 354 LEU A CA 1 ATOM 2649 C C . LEU A 1 354 ? 7.577 1.038 6.990 1.00 4.86 ? 354 LEU A C 1 ATOM 2650 O O . LEU A 1 354 ? 6.628 0.374 6.570 1.00 5.20 ? 354 LEU A O 1 ATOM 2651 C CB . LEU A 1 354 ? 6.582 3.232 7.684 1.00 4.57 ? 354 LEU A CB 1 ATOM 2652 C CG . LEU A 1 354 ? 6.840 3.207 9.202 1.00 5.47 ? 354 LEU A CG 1 ATOM 2653 C CD1 . LEU A 1 354 ? 8.028 4.074 9.600 1.00 5.91 ? 354 LEU A CD1 1 ATOM 2654 C CD2 . LEU A 1 354 ? 5.593 3.664 9.987 1.00 5.87 ? 354 LEU A CD2 1 ATOM 2655 N N . LEU A 1 355 ? 8.621 0.511 7.615 1.00 4.97 ? 355 LEU A N 1 ATOM 2656 C CA . LEU A 1 355 ? 8.628 -0.866 8.096 1.00 4.83 ? 355 LEU A CA 1 ATOM 2657 C C . LEU A 1 355 ? 8.159 -0.771 9.543 1.00 5.06 ? 355 LEU A C 1 ATOM 2658 O O . LEU A 1 355 ? 8.908 -0.368 10.444 1.00 4.76 ? 355 LEU A O 1 ATOM 2659 C CB . LEU A 1 355 ? 10.025 -1.471 7.970 1.00 5.76 ? 355 LEU A CB 1 ATOM 2660 C CG . LEU A 1 355 ? 10.594 -1.400 6.547 1.00 4.47 ? 355 LEU A CG 1 ATOM 2661 C CD1 . LEU A 1 355 ? 12.023 -1.970 6.501 1.00 6.83 ? 355 LEU A CD1 1 ATOM 2662 C CD2 . LEU A 1 355 ? 9.687 -2.063 5.518 1.00 8.08 ? 355 LEU A CD2 1 ATOM 2663 N N . PHE A 1 356 ? 6.880 -1.082 9.723 1.00 4.46 ? 356 PHE A N 1 ATOM 2664 C CA . PHE A 1 356 ? 6.157 -0.817 10.962 1.00 3.91 ? 356 PHE A CA 1 ATOM 2665 C C . PHE A 1 356 ? 6.177 -2.059 11.852 1.00 4.37 ? 356 PHE A C 1 ATOM 2666 O O . PHE A 1 356 ? 5.923 -3.177 11.395 1.00 4.31 ? 356 PHE A O 1 ATOM 2667 C CB . PHE A 1 356 ? 4.725 -0.428 10.588 1.00 4.06 ? 356 PHE A CB 1 ATOM 2668 C CG . PHE A 1 356 ? 3.798 -0.269 11.752 1.00 4.50 ? 356 PHE A CG 1 ATOM 2669 C CD1 . PHE A 1 356 ? 3.604 0.978 12.347 1.00 3.96 ? 356 PHE A CD1 1 ATOM 2670 C CD2 . PHE A 1 356 ? 3.050 -1.364 12.210 1.00 4.14 ? 356 PHE A CD2 1 ATOM 2671 C CE1 . PHE A 1 356 ? 2.701 1.119 13.415 1.00 5.49 ? 356 PHE A CE1 1 ATOM 2672 C CE2 . PHE A 1 356 ? 2.164 -1.233 13.272 1.00 4.14 ? 356 PHE A CE2 1 ATOM 2673 C CZ . PHE A 1 356 ? 1.973 0.007 13.863 1.00 4.12 ? 356 PHE A CZ 1 ATOM 2674 N N . VAL A 1 357 ? 6.474 -1.831 13.129 1.00 4.60 ? 357 VAL A N 1 ATOM 2675 C CA . VAL A 1 357 ? 6.625 -2.900 14.118 1.00 5.00 ? 357 VAL A CA 1 ATOM 2676 C C . VAL A 1 357 ? 5.891 -2.456 15.377 1.00 4.50 ? 357 VAL A C 1 ATOM 2677 O O . VAL A 1 357 ? 6.212 -1.412 15.950 1.00 4.63 ? 357 VAL A O 1 ATOM 2678 C CB . VAL A 1 357 ? 8.118 -3.107 14.441 1.00 5.49 ? 357 VAL A CB 1 ATOM 2679 C CG1 . VAL A 1 357 ? 8.311 -4.044 15.636 1.00 7.14 ? 357 VAL A CG1 1 ATOM 2680 C CG2 . VAL A 1 357 ? 8.849 -3.650 13.222 1.00 7.05 ? 357 VAL A CG2 1 ATOM 2681 N N . GLU A 1 358 ? 4.904 -3.247 15.800 1.00 3.89 ? 358 GLU A N 1 ATOM 2682 C CA . GLU A 1 358 ? 4.171 -2.947 17.027 1.00 3.86 ? 358 GLU A CA 1 ATOM 2683 C C . GLU A 1 358 ? 4.075 -4.197 17.886 1.00 3.90 ? 358 GLU A C 1 ATOM 2684 O O . GLU A 1 358 ? 3.695 -5.265 17.387 1.00 3.81 ? 358 GLU A O 1 ATOM 2685 C CB . GLU A 1 358 ? 2.775 -2.420 16.702 1.00 3.76 ? 358 GLU A CB 1 ATOM 2686 C CG . GLU A 1 358 ? 2.079 -1.760 17.883 1.00 5.14 ? 358 GLU A CG 1 ATOM 2687 C CD . GLU A 1 358 ? 0.844 -0.962 17.516 1.00 5.24 ? 358 GLU A CD 1 ATOM 2688 O OE1 . GLU A 1 358 ? 0.220 -1.232 16.467 1.00 5.79 ? 358 GLU A OE1 1 ATOM 2689 O OE2 . GLU A 1 358 ? 0.494 -0.038 18.299 1.00 5.47 ? 358 GLU A OE2 1 ATOM 2690 N N . TYR A 1 359 ? 4.427 -4.058 19.165 1.00 4.20 ? 359 TYR A N 1 ATOM 2691 C CA . TYR A 1 359 ? 4.456 -5.186 20.108 1.00 4.33 ? 359 TYR A CA 1 ATOM 2692 C C . TYR A 1 359 ? 3.383 -5.068 21.165 1.00 4.40 ? 359 TYR A C 1 ATOM 2693 O O . TYR A 1 359 ? 3.158 -3.993 21.727 1.00 4.89 ? 359 TYR A O 1 ATOM 2694 C CB . TYR A 1 359 ? 5.788 -5.249 20.847 1.00 4.39 ? 359 TYR A CB 1 ATOM 2695 C CG . TYR A 1 359 ? 7.008 -5.522 19.993 1.00 4.15 ? 359 TYR A CG 1 ATOM 2696 C CD1 . TYR A 1 359 ? 7.248 -6.792 19.480 1.00 3.97 ? 359 TYR A CD1 1 ATOM 2697 C CD2 . TYR A 1 359 ? 7.943 -4.516 19.735 1.00 4.02 ? 359 TYR A CD2 1 ATOM 2698 C CE1 . TYR A 1 359 ? 8.387 -7.060 18.715 1.00 6.29 ? 359 TYR A CE1 1 ATOM 2699 C CE2 . TYR A 1 359 ? 9.083 -4.767 18.973 1.00 5.08 ? 359 TYR A CE2 1 ATOM 2700 C CZ . TYR A 1 359 ? 9.292 -6.036 18.459 1.00 5.29 ? 359 TYR A CZ 1 ATOM 2701 O OH . TYR A 1 359 ? 10.420 -6.305 17.701 1.00 6.31 ? 359 TYR A OH 1 ATOM 2702 N N . GLN A 1 360 ? 2.761 -6.205 21.466 1.00 4.19 ? 360 GLN A N 1 ATOM 2703 C CA . GLN A 1 360 ? 1.714 -6.291 22.483 1.00 4.55 ? 360 GLN A CA 1 ATOM 2704 C C . GLN A 1 360 ? 1.551 -7.760 22.859 1.00 4.06 ? 360 GLN A C 1 ATOM 2705 O O . GLN A 1 360 ? 1.922 -8.653 22.082 1.00 4.64 ? 360 GLN A O 1 ATOM 2706 C CB . GLN A 1 360 ? 0.381 -5.711 21.961 1.00 4.44 ? 360 GLN A CB 1 ATOM 2707 C CG . GLN A 1 360 ? -0.118 -6.384 20.678 1.00 4.53 ? 360 GLN A CG 1 ATOM 2708 C CD . GLN A 1 360 ? 0.448 -5.735 19.426 1.00 4.06 ? 360 GLN A CD 1 ATOM 2709 O OE1 . GLN A 1 360 ? 0.183 -4.572 19.160 1.00 5.52 ? 360 GLN A OE1 1 ATOM 2710 N NE2 . GLN A 1 360 ? 1.238 -6.492 18.653 1.00 5.19 ? 360 GLN A NE2 1 ATOM 2711 N N . SER A 1 361 ? 1.015 -8.020 24.050 1.00 4.28 ? 361 SER A N 1 ATOM 2712 C CA . SER A 1 361 ? 0.761 -9.402 24.466 1.00 4.97 ? 361 SER A CA 1 ATOM 2713 C C . SER A 1 361 ? -0.458 -9.974 23.755 1.00 5.14 ? 361 SER A C 1 ATOM 2714 O O . SER A 1 361 ? -0.520 -11.178 23.517 1.00 5.79 ? 361 SER A O 1 ATOM 2715 C CB . SER A 1 361 ? 0.567 -9.489 25.978 1.00 5.04 ? 361 SER A CB 1 ATOM 2716 O OG . SER A 1 361 ? -0.583 -8.743 26.335 1.00 6.11 ? 361 SER A OG 1 ATOM 2717 N N . ILE A 1 362 ? -1.421 -9.112 23.423 1.00 5.24 ? 362 ILE A N 1 ATOM 2718 C CA . ILE A 1 362 ? -2.651 -9.555 22.767 1.00 5.08 ? 362 ILE A CA 1 ATOM 2719 C C . ILE A 1 362 ? -2.810 -8.747 21.484 1.00 4.99 ? 362 ILE A C 1 ATOM 2720 O O . ILE A 1 362 ? -3.127 -7.563 21.527 1.00 5.24 ? 362 ILE A O 1 ATOM 2721 C CB . ILE A 1 362 ? -3.878 -9.379 23.697 1.00 4.91 ? 362 ILE A CB 1 ATOM 2722 C CG1 . ILE A 1 362 ? -3.705 -10.206 24.981 1.00 5.92 ? 362 ILE A CG1 1 ATOM 2723 C CG2 . ILE A 1 362 ? -5.177 -9.761 22.971 1.00 4.97 ? 362 ILE A CG2 1 ATOM 2724 C CD1 . ILE A 1 362 ? -4.682 -9.830 26.124 1.00 7.62 ? 362 ILE A CD1 1 ATOM 2725 N N . ILE A 1 363 ? -2.567 -9.388 20.343 1.00 4.71 ? 363 ILE A N 1 ATOM 2726 C CA . ILE A 1 363 ? -2.635 -8.691 19.049 1.00 4.55 ? 363 ILE A CA 1 ATOM 2727 C C . ILE A 1 363 ? -3.958 -7.925 18.892 1.00 4.97 ? 363 ILE A C 1 ATOM 2728 O O . ILE A 1 363 ? -3.984 -6.773 18.449 1.00 4.91 ? 363 ILE A O 1 ATOM 2729 C CB . ILE A 1 363 ? -2.409 -9.674 17.863 1.00 4.66 ? 363 ILE A CB 1 ATOM 2730 C CG1 . ILE A 1 363 ? -0.986 -10.237 17.941 1.00 5.03 ? 363 ILE A CG1 1 ATOM 2731 C CG2 . ILE A 1 363 ? -2.647 -8.974 16.507 1.00 4.74 ? 363 ILE A CG2 1 ATOM 2732 C CD1 . ILE A 1 363 ? -0.679 -11.294 16.887 1.00 5.81 ? 363 ILE A CD1 1 ATOM 2733 N N . GLY A 1 364 ? -5.047 -8.567 19.296 1.00 5.31 ? 364 GLY A N 1 ATOM 2734 C CA . GLY A 1 364 ? -6.373 -7.986 19.131 1.00 5.63 ? 364 GLY A CA 1 ATOM 2735 C C . GLY A 1 364 ? -6.671 -6.774 19.989 1.00 5.77 ? 364 GLY A C 1 ATOM 2736 O O . GLY A 1 364 ? -7.677 -6.091 19.746 1.00 6.40 ? 364 GLY A O 1 ATOM 2737 N N . ASN A 1 365 ? -5.822 -6.522 20.987 1.00 5.80 ? 365 ASN A N 1 ATOM 2738 C CA . ASN A 1 365 ? -5.968 -5.367 21.872 1.00 5.57 ? 365 ASN A CA 1 ATOM 2739 C C . ASN A 1 365 ? -5.013 -4.228 21.546 1.00 5.10 ? 365 ASN A C 1 ATOM 2740 O O . ASN A 1 365 ? -5.215 -3.108 21.997 1.00 5.28 ? 365 ASN A O 1 ATOM 2741 C CB . ASN A 1 365 ? -5.741 -5.778 23.325 1.00 5.69 ? 365 ASN A CB 1 ATOM 2742 C CG . ASN A 1 365 ? -6.889 -6.582 23.909 1.00 6.62 ? 365 ASN A CG 1 ATOM 2743 O OD1 . ASN A 1 365 ? -7.952 -6.731 23.301 1.00 8.14 ? 365 ASN A OD1 1 ATOM 2744 N ND2 . ASN A 1 365 ? -6.666 -7.114 25.103 1.00 7.32 ? 365 ASN A ND2 1 ATOM 2745 N N . GLY A 1 366 ? -3.960 -4.509 20.789 1.00 4.99 ? 366 GLY A N 1 ATOM 2746 C CA . GLY A 1 366 ? -2.964 -3.486 20.480 1.00 4.94 ? 366 GLY A CA 1 ATOM 2747 C C . GLY A 1 366 ? -3.150 -2.992 19.066 1.00 4.48 ? 366 GLY A C 1 ATOM 2748 O O . GLY A 1 366 ? -4.153 -2.332 18.751 1.00 4.20 ? 366 GLY A O 1 ATOM 2749 N N . PHE A 1 367 ? -2.204 -3.349 18.203 1.00 3.83 ? 367 PHE A N 1 ATOM 2750 C CA . PHE A 1 367 ? -2.302 -3.036 16.775 1.00 4.43 ? 367 PHE A CA 1 ATOM 2751 C C . PHE A 1 367 ? -3.719 -3.187 16.195 1.00 4.66 ? 367 PHE A C 1 ATOM 2752 O O . PHE A 1 367 ? -4.240 -2.273 15.558 1.00 5.11 ? 367 PHE A O 1 ATOM 2753 C CB . PHE A 1 367 ? -1.355 -3.951 15.980 1.00 4.20 ? 367 PHE A CB 1 ATOM 2754 C CG . PHE A 1 367 ? -1.630 -3.944 14.504 1.00 3.11 ? 367 PHE A CG 1 ATOM 2755 C CD1 . PHE A 1 367 ? -1.367 -2.800 13.753 1.00 4.74 ? 367 PHE A CD1 1 ATOM 2756 C CD2 . PHE A 1 367 ? -2.178 -5.061 13.876 1.00 4.74 ? 367 PHE A CD2 1 ATOM 2757 C CE1 . PHE A 1 367 ? -1.653 -2.772 12.389 1.00 4.29 ? 367 PHE A CE1 1 ATOM 2758 C CE2 . PHE A 1 367 ? -2.463 -5.044 12.511 1.00 4.74 ? 367 PHE A CE2 1 ATOM 2759 C CZ . PHE A 1 367 ? -2.200 -3.901 11.762 1.00 5.73 ? 367 PHE A CZ 1 ATOM 2760 N N . ARG A 1 368 ? -4.341 -4.343 16.415 1.00 5.07 ? 368 ARG A N 1 ATOM 2761 C CA . ARG A 1 368 ? -5.569 -4.655 15.700 1.00 5.45 ? 368 ARG A CA 1 ATOM 2762 C C . ARG A 1 368 ? -6.747 -3.847 16.226 1.00 5.40 ? 368 ARG A C 1 ATOM 2763 O O . ARG A 1 368 ? -7.645 -3.491 15.455 1.00 5.43 ? 368 ARG A O 1 ATOM 2764 C CB . ARG A 1 368 ? -5.853 -6.144 15.778 1.00 5.86 ? 368 ARG A CB 1 ATOM 2765 C CG . ARG A 1 368 ? -6.893 -6.659 14.831 1.00 7.06 ? 368 ARG A CG 1 ATOM 2766 C CD . ARG A 1 368 ? -6.873 -8.166 14.912 1.00 7.76 ? 368 ARG A CD 1 ATOM 2767 N NE . ARG A 1 368 ? -7.745 -8.766 13.915 1.00 7.76 ? 368 ARG A NE 1 ATOM 2768 C CZ . ARG A 1 368 ? -9.047 -8.961 14.079 1.00 8.92 ? 368 ARG A CZ 1 ATOM 2769 N NH1 . ARG A 1 368 ? -9.657 -8.615 15.208 1.00 10.58 ? 368 ARG A NH1 1 ATOM 2770 N NH2 . ARG A 1 368 ? -9.746 -9.512 13.094 1.00 10.96 ? 368 ARG A NH2 1 ATOM 2771 N N . PHE A 1 369 ? -6.742 -3.557 17.527 1.00 5.04 ? 369 PHE A N 1 ATOM 2772 C CA . PHE A 1 369 ? -7.767 -2.709 18.135 1.00 5.32 ? 369 PHE A CA 1 ATOM 2773 C C . PHE A 1 369 ? -7.636 -1.274 17.643 1.00 5.27 ? 369 PHE A C 1 ATOM 2774 O O . PHE A 1 369 ? -8.626 -0.627 17.257 1.00 5.56 ? 369 PHE A O 1 ATOM 2775 C CB . PHE A 1 369 ? -7.664 -2.764 19.663 1.00 5.66 ? 369 PHE A CB 1 ATOM 2776 C CG . PHE A 1 369 ? -8.968 -2.518 20.363 1.00 6.13 ? 369 PHE A CG 1 ATOM 2777 C CD1 . PHE A 1 369 ? -9.850 -3.572 20.590 1.00 6.78 ? 369 PHE A CD1 1 ATOM 2778 C CD2 . PHE A 1 369 ? -9.321 -1.242 20.794 1.00 7.25 ? 369 PHE A CD2 1 ATOM 2779 C CE1 . PHE A 1 369 ? -11.080 -3.360 21.227 1.00 7.38 ? 369 PHE A CE1 1 ATOM 2780 C CE2 . PHE A 1 369 ? -10.547 -1.023 21.442 1.00 7.72 ? 369 PHE A CE2 1 ATOM 2781 C CZ . PHE A 1 369 ? -11.424 -2.084 21.656 1.00 7.11 ? 369 PHE A CZ 1 ATOM 2782 N N . GLN A 1 370 ? -6.404 -0.776 17.661 1.00 4.51 ? 370 GLN A N 1 ATOM 2783 C CA . GLN A 1 370 ? -6.107 0.557 17.157 1.00 4.47 ? 370 GLN A CA 1 ATOM 2784 C C . GLN A 1 370 ? -6.542 0.708 15.698 1.00 4.10 ? 370 GLN A C 1 ATOM 2785 O O . GLN A 1 370 ? -7.073 1.748 15.300 1.00 4.02 ? 370 GLN A O 1 ATOM 2786 C CB . GLN A 1 370 ? -4.619 0.863 17.318 1.00 4.28 ? 370 GLN A CB 1 ATOM 2787 C CG . GLN A 1 370 ? -4.183 0.919 18.778 1.00 4.44 ? 370 GLN A CG 1 ATOM 2788 C CD . GLN A 1 370 ? -2.681 0.801 18.957 1.00 5.12 ? 370 GLN A CD 1 ATOM 2789 O OE1 . GLN A 1 370 ? -1.906 1.024 18.027 1.00 5.51 ? 370 GLN A OE1 1 ATOM 2790 N NE2 . GLN A 1 370 ? -2.265 0.459 20.168 1.00 5.97 ? 370 GLN A NE2 1 ATOM 2791 N N . GLN A 1 371 ? -6.331 -0.340 14.907 1.00 4.44 ? 371 GLN A N 1 ATOM 2792 C CA . GLN A 1 371 ? -6.678 -0.294 13.495 1.00 4.30 ? 371 GLN A CA 1 ATOM 2793 C C . GLN A 1 371 ? -8.182 -0.397 13.237 1.00 4.63 ? 371 GLN A C 1 ATOM 2794 O O . GLN A 1 371 ? -8.745 0.452 12.546 1.00 4.57 ? 371 GLN A O 1 ATOM 2795 C CB . GLN A 1 371 ? -5.934 -1.407 12.737 1.00 4.48 ? 371 GLN A CB 1 ATOM 2796 C CG . GLN A 1 371 ? -6.185 -1.383 11.221 1.00 5.38 ? 371 GLN A CG 1 ATOM 2797 C CD . GLN A 1 371 ? -5.541 -0.183 10.568 1.00 5.56 ? 371 GLN A CD 1 ATOM 2798 O OE1 . GLN A 1 371 ? -4.333 0.009 10.677 1.00 6.26 ? 371 GLN A OE1 1 ATOM 2799 N NE2 . GLN A 1 371 ? -6.342 0.631 9.885 1.00 6.06 ? 371 GLN A NE2 1 ATOM 2800 N N . ILE A 1 372 ? -8.807 -1.440 13.773 1.00 4.52 ? 372 ILE A N 1 ATOM 2801 C CA . ILE A 1 372 ? -10.190 -1.769 13.422 1.00 5.48 ? 372 ILE A CA 1 ATOM 2802 C C . ILE A 1 372 ? -11.198 -0.997 14.269 1.00 5.32 ? 372 ILE A C 1 ATOM 2803 O O . ILE A 1 372 ? -12.053 -0.296 13.724 1.00 5.84 ? 372 ILE A O 1 ATOM 2804 C CB . ILE A 1 372 ? -10.452 -3.279 13.542 1.00 5.42 ? 372 ILE A CB 1 ATOM 2805 C CG1 . ILE A 1 372 ? -9.553 -4.046 12.575 1.00 6.35 ? 372 ILE A CG1 1 ATOM 2806 C CG2 . ILE A 1 372 ? -11.931 -3.597 13.279 1.00 6.36 ? 372 ILE A CG2 1 ATOM 2807 C CD1 . ILE A 1 372 ? -9.694 -5.566 12.668 1.00 6.39 ? 372 ILE A CD1 1 ATOM 2808 N N . ASN A 1 373 ? -11.103 -1.134 15.590 1.00 5.97 ? 373 ASN A N 1 ATOM 2809 C CA . ASN A 1 373 ? -12.075 -0.533 16.484 1.00 6.22 ? 373 ASN A CA 1 ATOM 2810 C C . ASN A 1 373 ? -11.987 0.976 16.542 1.00 6.02 ? 373 ASN A C 1 ATOM 2811 O O . ASN A 1 373 ? -12.983 1.652 16.818 1.00 6.01 ? 373 ASN A O 1 ATOM 2812 C CB . ASN A 1 373 ? -11.929 -1.113 17.894 1.00 6.06 ? 373 ASN A CB 1 ATOM 2813 C CG . ASN A 1 373 ? -12.393 -2.552 17.983 1.00 8.02 ? 373 ASN A CG 1 ATOM 2814 O OD1 . ASN A 1 373 ? -13.406 -2.847 18.639 1.00 10.38 ? 373 ASN A OD1 1 ATOM 2815 N ND2 . ASN A 1 373 ? -11.669 -3.450 17.344 1.00 7.66 ? 373 ASN A ND2 1 ATOM 2816 N N . TRP A 1 374 ? -10.792 1.501 16.283 1.00 5.16 ? 374 TRP A N 1 ATOM 2817 C CA . TRP A 1 374 ? -10.569 2.920 16.409 1.00 5.12 ? 374 TRP A CA 1 ATOM 2818 C C . TRP A 1 374 ? -10.360 3.618 15.064 1.00 4.96 ? 374 TRP A C 1 ATOM 2819 O O . TRP A 1 374 ? -11.238 4.345 14.605 1.00 4.96 ? 374 TRP A O 1 ATOM 2820 C CB . TRP A 1 374 ? -9.435 3.176 17.399 1.00 4.89 ? 374 TRP A CB 1 ATOM 2821 C CG . TRP A 1 374 ? -9.787 2.782 18.825 1.00 4.30 ? 374 TRP A CG 1 ATOM 2822 C CD1 . TRP A 1 374 ? -11.040 2.495 19.327 1.00 6.11 ? 374 TRP A CD1 1 ATOM 2823 C CD2 . TRP A 1 374 ? -8.882 2.679 19.938 1.00 4.29 ? 374 TRP A CD2 1 ATOM 2824 N NE1 . TRP A 1 374 ? -10.956 2.216 20.673 1.00 6.11 ? 374 TRP A NE1 1 ATOM 2825 C CE2 . TRP A 1 374 ? -9.650 2.324 21.074 1.00 5.28 ? 374 TRP A CE2 1 ATOM 2826 C CE3 . TRP A 1 374 ? -7.496 2.851 20.086 1.00 4.63 ? 374 TRP A CE3 1 ATOM 2827 C CZ2 . TRP A 1 374 ? -9.079 2.133 22.333 1.00 5.22 ? 374 TRP A CZ2 1 ATOM 2828 C CZ3 . TRP A 1 374 ? -6.930 2.655 21.340 1.00 5.14 ? 374 TRP A CZ3 1 ATOM 2829 C CH2 . TRP A 1 374 ? -7.725 2.317 22.452 1.00 5.53 ? 374 TRP A CH2 1 ATOM 2830 N N . ALA A 1 375 ? -9.234 3.380 14.395 1.00 5.18 ? 375 ALA A N 1 ATOM 2831 C CA . ALA A 1 375 ? -8.925 4.096 13.148 1.00 4.76 ? 375 ALA A CA 1 ATOM 2832 C C . ALA A 1 375 ? -9.975 3.920 12.047 1.00 5.17 ? 375 ALA A C 1 ATOM 2833 O O . ALA A 1 375 ? -10.344 4.886 11.370 1.00 5.37 ? 375 ALA A O 1 ATOM 2834 C CB . ALA A 1 375 ? -7.561 3.682 12.636 1.00 4.96 ? 375 ALA A CB 1 ATOM 2835 N N . ASN A 1 376 ? -10.450 2.684 11.874 1.00 5.11 ? 376 ASN A N 1 ATOM 2836 C CA . ASN A 1 376 ? -11.398 2.350 10.801 1.00 5.80 ? 376 ASN A CA 1 ATOM 2837 C C . ASN A 1 376 ? -12.829 2.700 11.161 1.00 6.32 ? 376 ASN A C 1 ATOM 2838 O O . ASN A 1 376 ? -13.723 2.609 10.317 1.00 6.93 ? 376 ASN A O 1 ATOM 2839 C CB . ASN A 1 376 ? -11.346 0.849 10.488 1.00 5.96 ? 376 ASN A CB 1 ATOM 2840 C CG . ASN A 1 376 ? -10.073 0.424 9.792 1.00 5.96 ? 376 ASN A CG 1 ATOM 2841 O OD1 . ASN A 1 376 ? -9.208 1.245 9.460 1.00 6.48 ? 376 ASN A OD1 1 ATOM 2842 N ND2 . ASN A 1 376 ? -9.957 -0.874 9.557 1.00 7.15 ? 376 ASN A ND2 1 ATOM 2843 N N . ASN A 1 377 ? -13.046 3.090 12.411 1.00 6.08 ? 377 ASN A N 1 ATOM 2844 C CA . ASN A 1 377 ? -14.390 3.265 12.958 1.00 6.34 ? 377 ASN A CA 1 ATOM 2845 C C . ASN A 1 377 ? -14.784 4.741 12.904 1.00 6.32 ? 377 ASN A C 1 ATOM 2846 O O . ASN A 1 377 ? -14.257 5.555 13.681 1.00 6.20 ? 377 ASN A O 1 ATOM 2847 C CB . ASN A 1 377 ? -14.381 2.742 14.397 1.00 6.38 ? 377 ASN A CB 1 ATOM 2848 C CG . ASN A 1 377 ? -15.745 2.766 15.057 1.00 6.68 ? 377 ASN A CG 1 ATOM 2849 O OD1 . ASN A 1 377 ? -16.708 3.351 14.550 1.00 7.57 ? 377 ASN A OD1 1 ATOM 2850 N ND2 . ASN A 1 377 ? -15.829 2.111 16.203 1.00 7.84 ? 377 ASN A ND2 1 ATOM 2851 N N . ALA A 1 378 ? -15.688 5.081 11.977 1.00 6.66 ? 378 ALA A N 1 ATOM 2852 C CA . ALA A 1 378 ? -16.141 6.467 11.794 1.00 6.84 ? 378 ALA A CA 1 ATOM 2853 C C . ALA A 1 378 ? -16.752 7.081 13.044 1.00 7.44 ? 378 ALA A C 1 ATOM 2854 O O . ALA A 1 378 ? -16.777 8.304 13.188 1.00 7.77 ? 378 ALA A O 1 ATOM 2855 C CB . ALA A 1 378 ? -17.148 6.551 10.646 1.00 6.83 ? 378 ALA A CB 1 ATOM 2856 N N . ASN A 1 379 ? -17.260 6.231 13.933 1.00 7.49 ? 379 ASN A N 1 ATOM 2857 C CA . ASN A 1 379 ? -17.928 6.696 15.137 1.00 8.21 ? 379 ASN A CA 1 ATOM 2858 C C . ASN A 1 379 ? -17.092 6.562 16.404 1.00 7.71 ? 379 ASN A C 1 ATOM 2859 O O . ASN A 1 379 ? -17.609 6.584 17.524 1.00 8.84 ? 379 ASN A O 1 ATOM 2860 C CB . ASN A 1 379 ? -19.325 6.064 15.232 1.00 8.42 ? 379 ASN A CB 1 ATOM 2861 C CG . ASN A 1 379 ? -20.204 6.473 14.057 1.00 10.05 ? 379 ASN A CG 1 ATOM 2862 O OD1 . ASN A 1 379 ? -20.737 7.583 14.028 1.00 14.25 ? 379 ASN A OD1 1 ATOM 2863 N ND2 . ASN A 1 379 ? -20.306 5.602 13.065 1.00 12.77 ? 379 ASN A ND2 1 ATOM 2864 N N . PHE A 1 380 ? -15.780 6.463 16.204 1.00 7.03 ? 380 PHE A N 1 ATOM 2865 C CA . PHE A 1 380 ? -14.834 6.492 17.299 1.00 6.64 ? 380 PHE A CA 1 ATOM 2866 C C . PHE A 1 380 ? -13.878 7.686 17.146 1.00 6.56 ? 380 PHE A C 1 ATOM 2867 O O . PHE A 1 380 ? -13.383 7.922 16.055 1.00 6.34 ? 380 PHE A O 1 ATOM 2868 C CB . PHE A 1 380 ? -14.027 5.185 17.418 1.00 6.90 ? 380 PHE A CB 1 ATOM 2869 C CG . PHE A 1 380 ? -13.162 5.184 18.625 1.00 5.95 ? 380 PHE A CG 1 ATOM 2870 C CD1 . PHE A 1 380 ? -13.668 4.755 19.850 1.00 6.76 ? 380 PHE A CD1 1 ATOM 2871 C CD2 . PHE A 1 380 ? -11.885 5.742 18.572 1.00 7.64 ? 380 PHE A CD2 1 ATOM 2872 C CE1 . PHE A 1 380 ? -12.905 4.843 20.992 1.00 6.35 ? 380 PHE A CE1 1 ATOM 2873 C CE2 . PHE A 1 380 ? -11.121 5.834 19.705 1.00 7.19 ? 380 PHE A CE2 1 ATOM 2874 C CZ . PHE A 1 380 ? -11.627 5.382 20.923 1.00 7.82 ? 380 PHE A CZ 1 ATOM 2875 N N . PRO A 1 381 ? -13.596 8.431 18.233 1.00 6.45 ? 381 PRO A N 1 ATOM 2876 C CA . PRO A 1 381 ? -14.060 8.238 19.612 1.00 7.03 ? 381 PRO A CA 1 ATOM 2877 C C . PRO A 1 381 ? -15.572 8.409 19.753 1.00 8.05 ? 381 PRO A C 1 ATOM 2878 O O . PRO A 1 381 ? -16.207 9.086 18.946 1.00 8.57 ? 381 PRO A O 1 ATOM 2879 C CB . PRO A 1 381 ? -13.298 9.309 20.404 1.00 7.46 ? 381 PRO A CB 1 ATOM 2880 C CG . PRO A 1 381 ? -12.948 10.355 19.393 1.00 6.76 ? 381 PRO A CG 1 ATOM 2881 C CD . PRO A 1 381 ? -12.657 9.566 18.138 1.00 6.40 ? 381 PRO A CD 1 ATOM 2882 N N . PHE A 1 382 ? -16.115 7.762 20.777 1.00 9.26 ? 382 PHE A N 1 ATOM 2883 C CA . PHE A 1 382 ? -17.556 7.677 20.989 1.00 10.72 ? 382 PHE A CA 1 ATOM 2884 C C . PHE A 1 382 ? -18.111 8.951 21.612 1.00 10.98 ? 382 PHE A C 1 ATOM 2885 O O . PHE A 1 382 ? -17.384 9.710 22.265 1.00 11.26 ? 382 PHE A O 1 ATOM 2886 C CB . PHE A 1 382 ? -17.889 6.494 21.913 1.00 11.71 ? 382 PHE A CB 1 ATOM 2887 C CG . PHE A 1 382 ? -17.376 5.165 21.438 1.00 13.95 ? 382 PHE A CG 1 ATOM 2888 C CD1 . PHE A 1 382 ? -17.744 4.656 20.194 1.00 15.93 ? 382 PHE A CD1 1 ATOM 2889 C CD2 . PHE A 1 382 ? -16.543 4.403 22.259 1.00 16.44 ? 382 PHE A CD2 1 ATOM 2890 C CE1 . PHE A 1 382 ? -17.276 3.409 19.758 1.00 16.37 ? 382 PHE A CE1 1 ATOM 2891 C CE2 . PHE A 1 382 ? -16.074 3.150 21.839 1.00 16.66 ? 382 PHE A CE2 1 ATOM 2892 C CZ . PHE A 1 382 ? -16.440 2.654 20.583 1.00 17.46 ? 382 PHE A CZ 1 ATOM 2893 N N . SER A 1 383 ? -19.412 9.169 21.415 1.00 11.93 ? 383 SER A N 1 ATOM 2894 C CA . SER A 1 383 ? -20.167 10.215 22.128 1.00 12.95 ? 383 SER A CA 1 ATOM 2895 C C . SER A 1 383 ? -19.703 11.644 21.830 1.00 12.67 ? 383 SER A C 1 ATOM 2896 O O . SER A 1 383 ? -19.772 12.527 22.694 1.00 13.66 ? 383 SER A O 1 ATOM 2897 C CB . SER A 1 383 ? -20.183 9.954 23.644 1.00 13.59 ? 383 SER A CB 1 ATOM 2898 O OG . SER A 1 383 ? -20.670 8.653 23.929 1.00 16.30 ? 383 SER A OG 1 ATOM 2899 N N . LYS A 1 384 ? -19.244 11.872 20.604 1.00 11.94 ? 384 LYS A N 1 ATOM 2900 C CA . LYS A 1 384 ? -18.789 13.203 20.194 1.00 11.33 ? 384 LYS A CA 1 ATOM 2901 C C . LYS A 1 384 ? -19.888 13.992 19.485 1.00 11.38 ? 384 LYS A C 1 ATOM 2902 O O . LYS A 1 384 ? -20.793 13.400 18.878 1.00 11.67 ? 384 LYS A O 1 ATOM 2903 C CB . LYS A 1 384 ? -17.538 13.106 19.300 1.00 11.00 ? 384 LYS A CB 1 ATOM 2904 C CG . LYS A 1 384 ? -16.351 12.419 19.946 1.00 10.26 ? 384 LYS A CG 1 ATOM 2905 C CD . LYS A 1 384 ? -16.041 12.983 21.342 1.00 8.08 ? 384 LYS A CD 1 ATOM 2906 C CE . LYS A 1 384 ? -14.668 12.514 21.808 1.00 8.22 ? 384 LYS A CE 1 ATOM 2907 N NZ . LYS A 1 384 ? -14.386 12.826 23.231 1.00 8.39 ? 384 LYS A NZ 1 ATOM 2908 N N . PRO A 1 385 ? -19.819 15.337 19.549 1.00 11.25 ? 385 PRO A N 1 ATOM 2909 C CA . PRO A 1 385 ? -20.884 16.138 18.927 1.00 11.45 ? 385 PRO A CA 1 ATOM 2910 C C . PRO A 1 385 ? -20.832 16.172 17.398 1.00 11.80 ? 385 PRO A C 1 ATOM 2911 O O . PRO A 1 385 ? -21.807 16.574 16.747 1.00 12.68 ? 385 PRO A O 1 ATOM 2912 C CB . PRO A 1 385 ? -20.659 17.532 19.519 1.00 11.55 ? 385 PRO A CB 1 ATOM 2913 C CG . PRO A 1 385 ? -19.198 17.561 19.892 1.00 11.89 ? 385 PRO A CG 1 ATOM 2914 C CD . PRO A 1 385 ? -18.911 16.169 20.366 1.00 11.39 ? 385 PRO A CD 1 ATOM 2915 N N . ILE A 1 386 ? -19.700 15.760 16.832 1.00 11.41 ? 386 ILE A N 1 ATOM 2916 C CA . ILE A 1 386 ? -19.517 15.690 15.391 1.00 11.31 ? 386 ILE A CA 1 ATOM 2917 C C . ILE A 1 386 ? -18.870 14.335 15.107 1.00 10.56 ? 386 ILE A C 1 ATOM 2918 O O . ILE A 1 386 ? -17.925 13.951 15.790 1.00 10.78 ? 386 ILE A O 1 ATOM 2919 C CB . ILE A 1 386 ? -18.622 16.859 14.846 1.00 11.23 ? 386 ILE A CB 1 ATOM 2920 C CG1 . ILE A 1 386 ? -19.251 18.234 15.137 1.00 11.37 ? 386 ILE A CG1 1 ATOM 2921 C CG2 . ILE A 1 386 ? -18.345 16.680 13.345 1.00 12.00 ? 386 ILE A CG2 1 ATOM 2922 C CD1 . ILE A 1 386 ? -18.388 19.446 14.744 1.00 12.78 ? 386 ILE A CD1 1 ATOM 2923 N N . THR A 1 387 ? -19.379 13.627 14.101 1.00 9.92 ? 387 THR A N 1 ATOM 2924 C CA . THR A 1 387 ? -18.838 12.324 13.702 1.00 9.68 ? 387 THR A CA 1 ATOM 2925 C C . THR A 1 387 ? -17.330 12.447 13.443 1.00 8.47 ? 387 THR A C 1 ATOM 2926 O O . THR A 1 387 ? -16.912 13.266 12.618 1.00 9.01 ? 387 THR A O 1 ATOM 2927 C CB . THR A 1 387 ? -19.554 11.795 12.435 1.00 9.97 ? 387 THR A CB 1 ATOM 2928 O OG1 . THR A 1 387 ? -20.967 11.685 12.695 1.00 11.41 ? 387 THR A OG1 1 ATOM 2929 C CG2 . THR A 1 387 ? -19.008 10.426 12.022 1.00 10.58 ? 387 THR A CG2 1 ATOM 2930 N N . PRO A 1 388 ? -16.504 11.650 14.152 1.00 7.54 ? 388 PRO A N 1 ATOM 2931 C CA . PRO A 1 388 ? -15.057 11.778 13.901 1.00 7.05 ? 388 PRO A CA 1 ATOM 2932 C C . PRO A 1 388 ? -14.610 11.399 12.478 1.00 6.92 ? 388 PRO A C 1 ATOM 2933 O O . PRO A 1 388 ? -13.793 12.108 11.878 1.00 7.41 ? 388 PRO A O 1 ATOM 2934 C CB . PRO A 1 388 ? -14.438 10.841 14.951 1.00 6.98 ? 388 PRO A CB 1 ATOM 2935 C CG . PRO A 1 388 ? -15.447 10.857 16.090 1.00 6.29 ? 388 PRO A CG 1 ATOM 2936 C CD . PRO A 1 388 ? -16.785 10.854 15.364 1.00 6.98 ? 388 PRO A CD 1 ATOM 2937 N N . GLY A 1 389 ? -15.150 10.306 11.943 1.00 6.65 ? 389 GLY A N 1 ATOM 2938 C CA . GLY A 1 389 ? -14.763 9.850 10.612 1.00 6.47 ? 389 GLY A CA 1 ATOM 2939 C C . GLY A 1 389 ? -13.575 8.909 10.642 1.00 6.67 ? 389 GLY A C 1 ATOM 2940 O O . GLY A 1 389 ? -13.191 8.417 11.705 1.00 6.75 ? 389 GLY A O 1 ATOM 2941 N N . ILE A 1 390 ? -13.000 8.673 9.467 1.00 6.49 ? 390 ILE A N 1 ATOM 2942 C CA . ILE A 1 390 ? -11.928 7.703 9.282 1.00 6.68 ? 390 ILE A CA 1 ATOM 2943 C C . ILE A 1 390 ? -10.568 8.362 9.498 1.00 6.55 ? 390 ILE A C 1 ATOM 2944 O O . ILE A 1 390 ? -10.301 9.422 8.944 1.00 7.48 ? 390 ILE A O 1 ATOM 2945 C CB . ILE A 1 390 ? -12.027 7.089 7.854 1.00 6.65 ? 390 ILE A CB 1 ATOM 2946 C CG1 . ILE A 1 390 ? -13.437 6.501 7.612 1.00 7.63 ? 390 ILE A CG1 1 ATOM 2947 C CG2 . ILE A 1 390 ? -10.914 6.062 7.587 1.00 7.27 ? 390 ILE A CG2 1 ATOM 2948 C CD1 . ILE A 1 390 ? -13.963 5.583 8.723 1.00 9.41 ? 390 ILE A CD1 1 ATOM 2949 N N . GLU A 1 391 ? -9.710 7.725 10.299 1.00 5.22 ? 391 GLU A N 1 ATOM 2950 C CA . GLU A 1 391 ? -8.368 8.261 10.554 1.00 5.03 ? 391 GLU A CA 1 ATOM 2951 C C . GLU A 1 391 ? -7.657 8.486 9.206 1.00 5.08 ? 391 GLU A C 1 ATOM 2952 O O . GLU A 1 391 ? -7.490 7.541 8.443 1.00 5.43 ? 391 GLU A O 1 ATOM 2953 C CB . GLU A 1 391 ? -7.596 7.275 11.428 1.00 4.92 ? 391 GLU A CB 1 ATOM 2954 C CG . GLU A 1 391 ? -6.424 7.898 12.156 1.00 4.39 ? 391 GLU A CG 1 ATOM 2955 C CD . GLU A 1 391 ? -5.233 8.121 11.244 1.00 5.12 ? 391 GLU A CD 1 ATOM 2956 O OE1 . GLU A 1 391 ? -4.562 7.115 10.902 1.00 5.50 ? 391 GLU A OE1 1 ATOM 2957 O OE2 . GLU A 1 391 ? -4.989 9.286 10.858 1.00 5.77 ? 391 GLU A OE2 1 ATOM 2958 N N . PRO A 1 392 ? -7.239 9.735 8.907 1.00 5.18 ? 392 PRO A N 1 ATOM 2959 C CA . PRO A 1 392 ? -6.751 10.047 7.551 1.00 5.56 ? 392 PRO A CA 1 ATOM 2960 C C . PRO A 1 392 ? -5.434 9.390 7.130 1.00 5.80 ? 392 PRO A C 1 ATOM 2961 O O . PRO A 1 392 ? -5.188 9.226 5.915 1.00 6.28 ? 392 PRO A O 1 ATOM 2962 C CB . PRO A 1 392 ? -6.606 11.577 7.557 1.00 5.79 ? 392 PRO A CB 1 ATOM 2963 C CG . PRO A 1 392 ? -6.501 11.948 8.997 1.00 5.23 ? 392 PRO A CG 1 ATOM 2964 C CD . PRO A 1 392 ? -7.325 10.942 9.752 1.00 5.30 ? 392 PRO A CD 1 ATOM 2965 N N . ILE A 1 393 ? -4.590 9.027 8.093 1.00 5.44 ? 393 ILE A N 1 ATOM 2966 C CA . ILE A 1 393 ? -3.295 8.450 7.747 1.00 5.27 ? 393 ILE A CA 1 ATOM 2967 C C . ILE A 1 393 ? -3.401 6.951 7.453 1.00 4.89 ? 393 ILE A C 1 ATOM 2968 O O . ILE A 1 393 ? -2.998 6.504 6.368 1.00 5.89 ? 393 ILE A O 1 ATOM 2969 C CB . ILE A 1 393 ? -2.231 8.766 8.814 1.00 4.69 ? 393 ILE A CB 1 ATOM 2970 C CG1 . ILE A 1 393 ? -2.146 10.286 9.079 1.00 4.85 ? 393 ILE A CG1 1 ATOM 2971 C CG2 . ILE A 1 393 ? -0.868 8.198 8.387 1.00 4.70 ? 393 ILE A CG2 1 ATOM 2972 C CD1 . ILE A 1 393 ? -1.970 11.200 7.824 1.00 6.99 ? 393 ILE A CD1 1 ATOM 2973 N N . ILE A 1 394 ? -3.934 6.170 8.394 1.00 5.09 ? 394 ILE A N 1 ATOM 2974 C CA . ILE A 1 394 ? -4.004 4.722 8.176 1.00 5.70 ? 394 ILE A CA 1 ATOM 2975 C C . ILE A 1 394 ? -5.390 4.084 8.287 1.00 5.10 ? 394 ILE A C 1 ATOM 2976 O O . ILE A 1 394 ? -5.510 2.863 8.193 1.00 5.09 ? 394 ILE A O 1 ATOM 2977 C CB . ILE A 1 394 ? -2.920 3.914 8.983 1.00 6.40 ? 394 ILE A CB 1 ATOM 2978 C CG1 . ILE A 1 394 ? -2.851 4.314 10.453 1.00 7.69 ? 394 ILE A CG1 1 ATOM 2979 C CG2 . ILE A 1 394 ? -1.549 4.043 8.317 1.00 7.72 ? 394 ILE A CG2 1 ATOM 2980 C CD1 . ILE A 1 394 ? -4.036 3.842 11.311 1.00 7.75 ? 394 ILE A CD1 1 ATOM 2981 N N . GLY A 1 395 ? -6.433 4.895 8.452 1.00 5.61 ? 395 GLY A N 1 ATOM 2982 C CA . GLY A 1 395 ? -7.799 4.355 8.455 1.00 6.25 ? 395 GLY A CA 1 ATOM 2983 C C . GLY A 1 395 ? -8.128 3.793 7.080 1.00 6.79 ? 395 GLY A C 1 ATOM 2984 O O . GLY A 1 395 ? -7.783 4.390 6.067 1.00 7.58 ? 395 GLY A O 1 ATOM 2985 N N . GLN A 1 396 ? -8.790 2.639 7.030 1.00 8.11 ? 396 GLN A N 1 ATOM 2986 C CA . GLN A 1 396 ? -8.959 1.966 5.721 1.00 10.24 ? 396 GLN A CA 1 ATOM 2987 C C . GLN A 1 396 ? -10.361 1.888 5.127 1.00 12.62 ? 396 GLN A C 1 ATOM 2988 O O . GLN A 1 396 ? -10.542 1.485 3.965 1.00 14.49 ? 396 GLN A O 1 ATOM 2989 C CB . GLN A 1 396 ? -8.223 0.631 5.695 1.00 9.42 ? 396 GLN A CB 1 ATOM 2990 C CG . GLN A 1 396 ? -6.739 0.884 5.628 1.00 8.95 ? 396 GLN A CG 1 ATOM 2991 C CD . GLN A 1 396 ? -5.942 -0.318 5.242 1.00 6.92 ? 396 GLN A CD 1 ATOM 2992 O OE1 . GLN A 1 396 ? -5.160 -0.278 4.282 1.00 9.04 ? 396 GLN A OE1 1 ATOM 2993 N NE2 . GLN A 1 396 ? -6.085 -1.387 6.007 1.00 6.98 ? 396 GLN A NE2 1 ATOM 2994 N N . THR A 1 397 ? -11.331 2.306 5.912 1.00 13.84 ? 397 THR A N 1 ATOM 2995 C CA . THR A 1 397 ? -12.724 2.314 5.503 1.00 14.72 ? 397 THR A CA 1 ATOM 2996 C C . THR A 1 397 ? -12.934 3.321 4.373 1.00 15.48 ? 397 THR A C 1 ATOM 2997 O O . THR A 1 397 ? -12.387 4.429 4.410 1.00 15.97 ? 397 THR A O 1 ATOM 2998 C CB . THR A 1 397 ? -13.576 2.679 6.722 1.00 14.57 ? 397 THR A CB 1 ATOM 2999 O OG1 . THR A 1 397 ? -13.350 1.711 7.750 1.00 15.90 ? 397 THR A OG1 1 ATOM 3000 C CG2 . THR A 1 397 ? -15.049 2.738 6.383 1.00 14.90 ? 397 THR A CG2 1 ATOM 3001 N N . THR A 1 398 ? -13.705 2.925 3.362 1.00 16.16 ? 398 THR A N 1 ATOM 3002 C CA . THR A 1 398 ? -14.092 3.841 2.294 1.00 16.67 ? 398 THR A CA 1 ATOM 3003 C C . THR A 1 398 ? -15.597 4.132 2.352 1.00 16.13 ? 398 THR A C 1 ATOM 3004 O O . THR A 1 398 ? -16.388 3.238 2.657 1.00 16.60 ? 398 THR A O 1 ATOM 3005 C CB . THR A 1 398 ? -13.700 3.310 0.902 1.00 17.27 ? 398 THR A CB 1 ATOM 3006 O OG1 . THR A 1 398 ? -14.365 2.069 0.656 1.00 18.44 ? 398 THR A OG1 1 ATOM 3007 C CG2 . THR A 1 398 ? -12.192 3.113 0.808 1.00 17.51 ? 398 THR A CG2 1 ATOM 3008 N N . PRO A 1 399 ? -15.997 5.389 2.084 1.00 15.03 ? 399 PRO A N 1 ATOM 3009 C CA . PRO A 1 399 ? -15.136 6.525 1.736 1.00 14.34 ? 399 PRO A CA 1 ATOM 3010 C C . PRO A 1 399 ? -14.283 6.935 2.938 1.00 12.89 ? 399 PRO A C 1 ATOM 3011 O O . PRO A 1 399 ? -14.723 6.803 4.093 1.00 12.64 ? 399 PRO A O 1 ATOM 3012 C CB . PRO A 1 399 ? -16.135 7.640 1.388 1.00 14.55 ? 399 PRO A CB 1 ATOM 3013 C CG . PRO A 1 399 ? -17.477 6.979 1.300 1.00 16.09 ? 399 PRO A CG 1 ATOM 3014 C CD . PRO A 1 399 ? -17.415 5.781 2.166 1.00 15.40 ? 399 PRO A CD 1 ATOM 3015 N N . ARG A 1 400 ? -13.074 7.417 2.656 1.00 11.87 ? 400 ARG A N 1 ATOM 3016 C CA . ARG A 1 400 ? -12.142 7.846 3.702 1.00 11.36 ? 400 ARG A CA 1 ATOM 3017 C C . ARG A 1 400 ? -12.452 9.273 4.125 1.00 10.91 ? 400 ARG A C 1 ATOM 3018 O O . ARG A 1 400 ? -11.674 10.201 3.884 1.00 11.23 ? 400 ARG A O 1 ATOM 3019 C CB . ARG A 1 400 ? -10.697 7.736 3.228 1.00 11.53 ? 400 ARG A CB 1 ATOM 3020 C CG . ARG A 1 400 ? -10.325 6.370 2.698 1.00 11.17 ? 400 ARG A CG 1 ATOM 3021 C CD . ARG A 1 400 ? -8.832 6.260 2.494 1.00 10.47 ? 400 ARG A CD 1 ATOM 3022 N NE . ARG A 1 400 ? -8.113 6.152 3.756 1.00 10.43 ? 400 ARG A NE 1 ATOM 3023 C CZ . ARG A 1 400 ? -7.298 7.080 4.271 1.00 9.51 ? 400 ARG A CZ 1 ATOM 3024 N NH1 . ARG A 1 400 ? -7.049 8.226 3.643 1.00 9.30 ? 400 ARG A NH1 1 ATOM 3025 N NH2 . ARG A 1 400 ? -6.697 6.839 5.419 1.00 10.50 ? 400 ARG A NH2 1 ATOM 3026 N N . THR A 1 401 ? -13.595 9.434 4.774 1.00 10.17 ? 401 THR A N 1 ATOM 3027 C CA . THR A 1 401 ? -14.080 10.756 5.125 1.00 10.04 ? 401 THR A CA 1 ATOM 3028 C C . THR A 1 401 ? -13.801 11.051 6.589 1.00 9.11 ? 401 THR A C 1 ATOM 3029 O O . THR A 1 401 ? -14.110 10.247 7.459 1.00 7.79 ? 401 THR A O 1 ATOM 3030 C CB . THR A 1 401 ? -15.563 10.908 4.769 1.00 10.39 ? 401 THR A CB 1 ATOM 3031 O OG1 . THR A 1 401 ? -15.712 10.688 3.359 1.00 12.91 ? 401 THR A OG1 1 ATOM 3032 C CG2 . THR A 1 401 ? -16.037 12.301 5.078 1.00 12.02 ? 401 THR A CG2 1 ATOM 3033 N N . VAL A 1 402 ? -13.193 12.209 6.837 1.00 8.23 ? 402 VAL A N 1 ATOM 3034 C CA . VAL A 1 402 ? -12.862 12.633 8.190 1.00 7.98 ? 402 VAL A CA 1 ATOM 3035 C C . VAL A 1 402 ? -13.376 14.045 8.404 1.00 7.51 ? 402 VAL A C 1 ATOM 3036 O O . VAL A 1 402 ? -13.254 14.906 7.528 1.00 7.64 ? 402 VAL A O 1 ATOM 3037 C CB . VAL A 1 402 ? -11.335 12.525 8.503 1.00 7.75 ? 402 VAL A CB 1 ATOM 3038 C CG1 . VAL A 1 402 ? -10.502 13.446 7.625 1.00 8.25 ? 402 VAL A CG1 1 ATOM 3039 C CG2 . VAL A 1 402 ? -11.058 12.789 9.990 1.00 8.01 ? 402 VAL A CG2 1 ATOM 3040 N N . GLY A 1 403 ? -13.966 14.275 9.571 1.00 7.53 ? 403 GLY A N 1 ATOM 3041 C CA . GLY A 1 403 ? -14.475 15.596 9.893 1.00 7.40 ? 403 GLY A CA 1 ATOM 3042 C C . GLY A 1 403 ? -13.520 16.400 10.744 1.00 7.02 ? 403 GLY A C 1 ATOM 3043 O O . GLY A 1 403 ? -12.510 15.883 11.250 1.00 6.80 ? 403 GLY A O 1 ATOM 3044 N N . GLY A 1 404 ? -13.845 17.675 10.908 1.00 6.69 ? 404 GLY A N 1 ATOM 3045 C CA . GLY A 1 404 ? -13.207 18.485 11.930 1.00 6.85 ? 404 GLY A CA 1 ATOM 3046 C C . GLY A 1 404 ? -11.788 18.955 11.666 1.00 6.22 ? 404 GLY A C 1 ATOM 3047 O O . GLY A 1 404 ? -11.197 19.575 12.542 1.00 7.33 ? 404 GLY A O 1 ATOM 3048 N N . LEU A 1 405 ? -11.226 18.684 10.482 1.00 6.33 ? 405 LEU A N 1 ATOM 3049 C CA . LEU A 1 405 ? -9.844 19.111 10.225 1.00 6.18 ? 405 LEU A CA 1 ATOM 3050 C C . LEU A 1 405 ? -9.664 20.632 10.218 1.00 6.35 ? 405 LEU A C 1 ATOM 3051 O O . LEU A 1 405 ? -8.602 21.128 10.592 1.00 6.44 ? 405 LEU A O 1 ATOM 3052 C CB . LEU A 1 405 ? -9.273 18.477 8.945 1.00 6.36 ? 405 LEU A CB 1 ATOM 3053 C CG . LEU A 1 405 ? -9.256 16.948 8.860 1.00 7.55 ? 405 LEU A CG 1 ATOM 3054 C CD1 . LEU A 1 405 ? -8.474 16.493 7.625 1.00 7.08 ? 405 LEU A CD1 1 ATOM 3055 C CD2 . LEU A 1 405 ? -8.654 16.328 10.111 1.00 7.88 ? 405 LEU A CD2 1 ATOM 3056 N N . ASP A 1 406 ? -10.697 21.352 9.787 1.00 6.38 ? 406 ASP A N 1 ATOM 3057 C CA . ASP A 1 406 ? -10.694 22.815 9.832 1.00 6.81 ? 406 ASP A CA 1 ATOM 3058 C C . ASP A 1 406 ? -11.291 23.281 11.158 1.00 6.71 ? 406 ASP A C 1 ATOM 3059 O O . ASP A 1 406 ? -12.497 23.123 11.380 1.00 6.96 ? 406 ASP A O 1 ATOM 3060 C CB . ASP A 1 406 ? -11.494 23.381 8.651 1.00 7.46 ? 406 ASP A CB 1 ATOM 3061 C CG . ASP A 1 406 ? -11.435 24.900 8.566 1.00 8.10 ? 406 ASP A CG 1 ATOM 3062 O OD1 . ASP A 1 406 ? -11.072 25.557 9.559 1.00 7.88 ? 406 ASP A OD1 1 ATOM 3063 O OD2 . ASP A 1 406 ? -11.755 25.444 7.485 1.00 12.21 ? 406 ASP A OD2 1 ATOM 3064 N N . PRO A 1 407 ? -10.448 23.839 12.057 1.00 6.10 ? 407 PRO A N 1 ATOM 3065 C CA . PRO A 1 407 ? -10.963 24.185 13.381 1.00 6.34 ? 407 PRO A CA 1 ATOM 3066 C C . PRO A 1 407 ? -12.039 25.268 13.357 1.00 6.76 ? 407 PRO A C 1 ATOM 3067 O O . PRO A 1 407 ? -12.795 25.390 14.318 1.00 7.39 ? 407 PRO A O 1 ATOM 3068 C CB . PRO A 1 407 ? -9.718 24.679 14.126 1.00 6.03 ? 407 PRO A CB 1 ATOM 3069 C CG . PRO A 1 407 ? -8.814 25.209 13.036 1.00 5.77 ? 407 PRO A CG 1 ATOM 3070 C CD . PRO A 1 407 ? -9.043 24.264 11.876 1.00 6.43 ? 407 PRO A CD 1 ATOM 3071 N N . LEU A 1 408 ? -12.102 26.041 12.275 1.00 7.02 ? 408 LEU A N 1 ATOM 3072 C CA . LEU A 1 408 ? -13.087 27.120 12.155 1.00 7.41 ? 408 LEU A CA 1 ATOM 3073 C C . LEU A 1 408 ? -14.339 26.724 11.376 1.00 8.15 ? 408 LEU A C 1 ATOM 3074 O O . LEU A 1 408 ? -15.285 27.514 11.275 1.00 9.27 ? 408 LEU A O 1 ATOM 3075 C CB . LEU A 1 408 ? -12.443 28.361 11.514 1.00 7.28 ? 408 LEU A CB 1 ATOM 3076 C CG . LEU A 1 408 ? -11.210 28.936 12.209 1.00 8.14 ? 408 LEU A CG 1 ATOM 3077 C CD1 . LEU A 1 408 ? -10.826 30.243 11.526 1.00 9.22 ? 408 LEU A CD1 1 ATOM 3078 C CD2 . LEU A 1 408 ? -11.394 29.145 13.732 1.00 8.95 ? 408 LEU A CD2 1 ATOM 3079 N N . ASN A 1 409 ? -14.331 25.515 10.819 1.00 8.46 ? 409 ASN A N 1 ATOM 3080 C CA . ASN A 1 409 ? -15.478 24.962 10.096 1.00 9.35 ? 409 ASN A CA 1 ATOM 3081 C C . ASN A 1 409 ? -15.520 23.463 10.350 1.00 8.63 ? 409 ASN A C 1 ATOM 3082 O O . ASN A 1 409 ? -15.279 22.648 9.447 1.00 8.27 ? 409 ASN A O 1 ATOM 3083 C CB . ASN A 1 409 ? -15.356 25.240 8.596 1.00 10.69 ? 409 ASN A CB 1 ATOM 3084 C CG . ASN A 1 409 ? -15.328 26.717 8.273 1.00 13.49 ? 409 ASN A CG 1 ATOM 3085 O OD1 . ASN A 1 409 ? -16.366 27.384 8.294 1.00 17.16 ? 409 ASN A OD1 1 ATOM 3086 N ND2 . ASN A 1 409 ? -14.139 27.242 7.987 1.00 15.76 ? 409 ASN A ND2 1 ATOM 3087 N N . GLN A 1 410 ? -15.819 23.101 11.592 1.00 8.39 ? 410 GLN A N 1 ATOM 3088 C CA . GLN A 1 410 ? -15.629 21.722 12.054 1.00 8.02 ? 410 GLN A CA 1 ATOM 3089 C C . GLN A 1 410 ? -16.579 20.715 11.425 1.00 8.90 ? 410 GLN A C 1 ATOM 3090 O O . GLN A 1 410 ? -16.280 19.531 11.394 1.00 8.97 ? 410 GLN A O 1 ATOM 3091 C CB . GLN A 1 410 ? -15.684 21.656 13.579 1.00 7.51 ? 410 GLN A CB 1 ATOM 3092 C CG . GLN A 1 410 ? -14.534 22.432 14.224 1.00 7.62 ? 410 GLN A CG 1 ATOM 3093 C CD . GLN A 1 410 ? -14.610 22.477 15.739 1.00 6.29 ? 410 GLN A CD 1 ATOM 3094 O OE1 . GLN A 1 410 ? -15.179 21.589 16.387 1.00 5.95 ? 410 GLN A OE1 1 ATOM 3095 N NE2 . GLN A 1 410 ? -14.010 23.508 16.315 1.00 6.83 ? 410 GLN A NE2 1 ATOM 3096 N N . ASN A 1 411 ? -17.706 21.196 10.907 1.00 9.54 ? 411 ASN A N 1 ATOM 3097 C CA . ASN A 1 411 ? -18.637 20.321 10.196 1.00 10.79 ? 411 ASN A CA 1 ATOM 3098 C C . ASN A 1 411 ? -18.206 19.989 8.768 1.00 10.76 ? 411 ASN A C 1 ATOM 3099 O O . ASN A 1 411 ? -18.787 19.107 8.134 1.00 11.76 ? 411 ASN A O 1 ATOM 3100 C CB . ASN A 1 411 ? -20.054 20.901 10.209 1.00 11.46 ? 411 ASN A CB 1 ATOM 3101 C CG . ASN A 1 411 ? -20.839 20.497 11.443 1.00 14.82 ? 411 ASN A CG 1 ATOM 3102 O OD1 . ASN A 1 411 ? -20.671 19.392 11.972 1.00 18.08 ? 411 ASN A OD1 1 ATOM 3103 N ND2 . ASN A 1 411 ? -21.724 21.386 11.896 1.00 18.29 ? 411 ASN A ND2 1 ATOM 3104 N N . GLU A 1 412 ? -17.195 20.685 8.255 1.00 10.48 ? 412 GLU A N 1 ATOM 3105 C CA . GLU A 1 412 ? -16.672 20.356 6.932 1.00 10.67 ? 412 GLU A CA 1 ATOM 3106 C C . GLU A 1 412 ? -15.982 18.989 6.964 1.00 10.50 ? 412 GLU A C 1 ATOM 3107 O O . GLU A 1 412 ? -15.200 18.686 7.868 1.00 9.77 ? 412 GLU A O 1 ATOM 3108 C CB . GLU A 1 412 ? -15.711 21.434 6.421 1.00 11.29 ? 412 GLU A CB 1 ATOM 3109 C CG . GLU A 1 412 ? -15.211 21.216 4.990 1.00 15.09 ? 412 GLU A CG 1 ATOM 3110 C CD . GLU A 1 412 ? -16.128 21.810 3.920 1.00 20.05 ? 412 GLU A CD 1 ATOM 3111 O OE1 . GLU A 1 412 ? -17.306 22.128 4.212 1.00 22.12 ? 412 GLU A OE1 1 ATOM 3112 O OE2 . GLU A 1 412 ? -15.657 21.959 2.772 1.00 25.19 ? 412 GLU A OE2 1 ATOM 3113 N N . THR A 1 413 ? -16.294 18.155 5.982 1.00 10.95 ? 413 THR A N 1 ATOM 3114 C CA . THR A 1 413 ? -15.661 16.849 5.875 1.00 11.88 ? 413 THR A CA 1 ATOM 3115 C C . THR A 1 413 ? -14.614 16.833 4.770 1.00 11.30 ? 413 THR A C 1 ATOM 3116 O O . THR A 1 413 ? -14.738 17.526 3.751 1.00 12.63 ? 413 THR A O 1 ATOM 3117 C CB . THR A 1 413 ? -16.691 15.730 5.645 1.00 12.54 ? 413 THR A CB 1 ATOM 3118 O OG1 . THR A 1 413 ? -17.317 15.919 4.383 1.00 15.77 ? 413 THR A OG1 1 ATOM 3119 C CG2 . THR A 1 413 ? -17.748 15.734 6.737 1.00 12.85 ? 413 THR A CG2 1 ATOM 3120 N N . PHE A 1 414 ? -13.569 16.044 4.995 1.00 10.41 ? 414 PHE A N 1 ATOM 3121 C CA . PHE A 1 414 ? -12.470 15.901 4.069 1.00 10.47 ? 414 PHE A CA 1 ATOM 3122 C C . PHE A 1 414 ? -12.449 14.458 3.618 1.00 10.59 ? 414 PHE A C 1 ATOM 3123 O O . PHE A 1 414 ? -12.423 13.546 4.454 1.00 11.00 ? 414 PHE A O 1 ATOM 3124 C CB . PHE A 1 414 ? -11.149 16.242 4.762 1.00 10.30 ? 414 PHE A CB 1 ATOM 3125 C CG . PHE A 1 414 ? -10.966 17.709 5.052 1.00 9.96 ? 414 PHE A CG 1 ATOM 3126 C CD1 . PHE A 1 414 ? -10.005 18.437 4.368 1.00 10.33 ? 414 PHE A CD1 1 ATOM 3127 C CD2 . PHE A 1 414 ? -11.733 18.356 6.032 1.00 10.75 ? 414 PHE A CD2 1 ATOM 3128 C CE1 . PHE A 1 414 ? -9.818 19.792 4.621 1.00 11.83 ? 414 PHE A CE1 1 ATOM 3129 C CE2 . PHE A 1 414 ? -11.551 19.710 6.296 1.00 10.97 ? 414 PHE A CE2 1 ATOM 3130 C CZ . PHE A 1 414 ? -10.592 20.430 5.584 1.00 10.06 ? 414 PHE A CZ 1 ATOM 3131 N N . THR A 1 415 ? -12.482 14.244 2.306 1.00 10.98 ? 415 THR A N 1 ATOM 3132 C CA . THR A 1 415 ? -12.330 12.899 1.777 1.00 11.20 ? 415 THR A CA 1 ATOM 3133 C C . THR A 1 415 ? -10.882 12.749 1.328 1.00 10.79 ? 415 THR A C 1 ATOM 3134 O O . THR A 1 415 ? -10.415 13.433 0.412 1.00 11.61 ? 415 THR A O 1 ATOM 3135 C CB . THR A 1 415 ? -13.345 12.588 0.666 1.00 11.11 ? 415 THR A CB 1 ATOM 3136 O OG1 . THR A 1 415 ? -14.665 12.808 1.179 1.00 12.95 ? 415 THR A OG1 1 ATOM 3137 C CG2 . THR A 1 415 ? -13.223 11.126 0.233 1.00 12.60 ? 415 THR A CG2 1 ATOM 3138 N N . VAL A 1 416 ? -10.165 11.870 2.014 1.00 9.97 ? 416 VAL A N 1 ATOM 3139 C CA . VAL A 1 416 ? -8.714 11.852 1.937 1.00 10.12 ? 416 VAL A CA 1 ATOM 3140 C C . VAL A 1 416 ? -8.251 10.642 1.124 1.00 9.97 ? 416 VAL A C 1 ATOM 3141 O O . VAL A 1 416 ? -8.571 9.507 1.479 1.00 10.35 ? 416 VAL A O 1 ATOM 3142 C CB . VAL A 1 416 ? -8.076 11.831 3.361 1.00 9.79 ? 416 VAL A CB 1 ATOM 3143 C CG1 . VAL A 1 416 ? -6.552 11.894 3.278 1.00 11.17 ? 416 VAL A CG1 1 ATOM 3144 C CG2 . VAL A 1 416 ? -8.624 12.986 4.226 1.00 10.46 ? 416 VAL A CG2 1 ATOM 3145 N N . PRO A 1 417 ? -7.490 10.872 0.040 1.00 9.71 ? 417 PRO A N 1 ATOM 3146 C CA . PRO A 1 417 ? -6.922 9.725 -0.671 1.00 9.84 ? 417 PRO A CA 1 ATOM 3147 C C . PRO A 1 417 ? -6.036 8.908 0.269 1.00 9.54 ? 417 PRO A C 1 ATOM 3148 O O . PRO A 1 417 ? -5.454 9.453 1.211 1.00 9.62 ? 417 PRO A O 1 ATOM 3149 C CB . PRO A 1 417 ? -6.073 10.372 -1.765 1.00 10.22 ? 417 PRO A CB 1 ATOM 3150 C CG . PRO A 1 417 ? -6.607 11.743 -1.919 1.00 10.36 ? 417 PRO A CG 1 ATOM 3151 C CD . PRO A 1 417 ? -7.042 12.147 -0.546 1.00 9.74 ? 417 PRO A CD 1 ATOM 3152 N N . LEU A 1 418 ? -5.941 7.605 0.028 1.00 10.06 ? 418 LEU A N 1 ATOM 3153 C CA . LEU A 1 418 ? -5.072 6.774 0.849 1.00 9.75 ? 418 LEU A CA 1 ATOM 3154 C C . LEU A 1 418 ? -3.621 7.003 0.451 1.00 9.18 ? 418 LEU A C 1 ATOM 3155 O O . LEU A 1 418 ? -3.235 6.765 -0.693 1.00 10.47 ? 418 LEU A O 1 ATOM 3156 C CB . LEU A 1 418 ? -5.453 5.300 0.731 1.00 10.31 ? 418 LEU A CB 1 ATOM 3157 C CG . LEU A 1 418 ? -4.706 4.343 1.666 1.00 10.60 ? 418 LEU A CG 1 ATOM 3158 C CD1 . LEU A 1 418 ? -4.970 4.686 3.132 1.00 11.04 ? 418 LEU A CD1 1 ATOM 3159 C CD2 . LEU A 1 418 ? -5.067 2.891 1.384 1.00 12.89 ? 418 LEU A CD2 1 ATOM 3160 N N . PHE A 1 419 ? -2.826 7.483 1.401 1.00 7.91 ? 419 PHE A N 1 ATOM 3161 C CA . PHE A 1 419 ? -1.411 7.747 1.152 1.00 7.53 ? 419 PHE A CA 1 ATOM 3162 C C . PHE A 1 419 ? -0.487 6.683 1.732 1.00 6.71 ? 419 PHE A C 1 ATOM 3163 O O . PHE A 1 419 ? 0.741 6.791 1.610 1.00 6.24 ? 419 PHE A O 1 ATOM 3164 C CB . PHE A 1 419 ? -1.006 9.116 1.689 1.00 7.98 ? 419 PHE A CB 1 ATOM 3165 C CG . PHE A 1 419 ? -1.852 10.249 1.188 1.00 9.34 ? 419 PHE A CG 1 ATOM 3166 C CD1 . PHE A 1 419 ? -1.889 10.580 -0.163 1.00 10.47 ? 419 PHE A CD1 1 ATOM 3167 C CD2 . PHE A 1 419 ? -2.589 11.004 2.078 1.00 9.36 ? 419 PHE A CD2 1 ATOM 3168 C CE1 . PHE A 1 419 ? -2.673 11.646 -0.612 1.00 11.66 ? 419 PHE A CE1 1 ATOM 3169 C CE2 . PHE A 1 419 ? -3.369 12.081 1.640 1.00 10.67 ? 419 PHE A CE2 1 ATOM 3170 C CZ . PHE A 1 419 ? -3.408 12.395 0.300 1.00 10.69 ? 419 PHE A CZ 1 ATOM 3171 N N . VAL A 1 420 ? -1.074 5.690 2.396 1.00 6.36 ? 420 VAL A N 1 ATOM 3172 C CA . VAL A 1 420 ? -0.307 4.621 3.030 1.00 6.81 ? 420 VAL A CA 1 ATOM 3173 C C . VAL A 1 420 ? -0.860 3.302 2.504 1.00 6.52 ? 420 VAL A C 1 ATOM 3174 O O . VAL A 1 420 ? -2.030 2.983 2.701 1.00 7.68 ? 420 VAL A O 1 ATOM 3175 C CB . VAL A 1 420 ? -0.420 4.668 4.574 1.00 6.05 ? 420 VAL A CB 1 ATOM 3176 C CG1 . VAL A 1 420 ? 0.292 3.462 5.184 1.00 7.09 ? 420 VAL A CG1 1 ATOM 3177 C CG2 . VAL A 1 420 ? 0.161 5.971 5.135 1.00 7.03 ? 420 VAL A CG2 1 ATOM 3178 N N . ILE A 1 421 ? -0.017 2.556 1.796 1.00 6.94 ? 421 ILE A N 1 ATOM 3179 C CA . ILE A 1 421 ? -0.439 1.336 1.123 1.00 7.61 ? 421 ILE A CA 1 ATOM 3180 C C . ILE A 1 421 ? 0.193 0.102 1.775 1.00 6.79 ? 421 ILE A C 1 ATOM 3181 O O . ILE A 1 421 ? 1.416 -0.071 1.732 1.00 7.47 ? 421 ILE A O 1 ATOM 3182 C CB . ILE A 1 421 ? -0.033 1.346 -0.377 1.00 7.65 ? 421 ILE A CB 1 ATOM 3183 C CG1 . ILE A 1 421 ? -0.414 2.667 -1.078 1.00 8.70 ? 421 ILE A CG1 1 ATOM 3184 C CG2 . ILE A 1 421 ? -0.606 0.127 -1.086 1.00 9.21 ? 421 ILE A CG2 1 ATOM 3185 C CD1 . ILE A 1 421 ? -1.895 3.027 -1.060 1.00 11.34 ? 421 ILE A CD1 1 ATOM 3186 N N . PRO A 1 422 ? -0.632 -0.767 2.392 1.00 6.62 ? 422 PRO A N 1 ATOM 3187 C CA . PRO A 1 422 ? -0.042 -2.009 2.924 1.00 6.71 ? 422 PRO A CA 1 ATOM 3188 C C . PRO A 1 422 ? 0.398 -2.953 1.810 1.00 6.96 ? 422 PRO A C 1 ATOM 3189 O O . PRO A 1 422 ? -0.395 -3.279 0.915 1.00 7.38 ? 422 PRO A O 1 ATOM 3190 C CB . PRO A 1 422 ? -1.177 -2.623 3.751 1.00 7.38 ? 422 PRO A CB 1 ATOM 3191 C CG . PRO A 1 422 ? -2.095 -1.491 4.040 1.00 6.95 ? 422 PRO A CG 1 ATOM 3192 C CD . PRO A 1 422 ? -2.020 -0.573 2.853 1.00 6.92 ? 422 PRO A CD 1 ATOM 3193 N N . LYS A 1 423 ? 1.664 -3.361 1.870 1.00 6.47 ? 423 LYS A N 1 ATOM 3194 C CA . LYS A 1 423 ? 2.284 -4.223 0.844 1.00 7.34 ? 423 LYS A CA 1 ATOM 3195 C C . LYS A 1 423 ? 2.465 -5.645 1.370 1.00 7.20 ? 423 LYS A C 1 ATOM 3196 O O . LYS A 1 423 ? 2.901 -6.554 0.644 1.00 7.86 ? 423 LYS A O 1 ATOM 3197 C CB . LYS A 1 423 ? 3.646 -3.655 0.401 1.00 7.57 ? 423 LYS A CB 1 ATOM 3198 C CG . LYS A 1 423 ? 3.589 -2.250 -0.240 1.00 8.74 ? 423 LYS A CG 1 ATOM 3199 C CD . LYS A 1 423 ? 2.640 -2.166 -1.434 1.00 10.74 ? 423 LYS A CD 1 ATOM 3200 C CE . LYS A 1 423 ? 3.183 -2.957 -2.626 1.00 11.94 ? 423 LYS A CE 1 ATOM 3201 N NZ . LYS A 1 423 ? 2.237 -2.979 -3.777 1.00 13.94 ? 423 LYS A NZ 1 ATOM 3202 N N . GLY A 1 424 ? 2.111 -5.849 2.630 1.00 6.78 ? 424 GLY A N 1 ATOM 3203 C CA . GLY A 1 424 ? 2.298 -7.145 3.273 1.00 7.09 ? 424 GLY A CA 1 ATOM 3204 C C . GLY A 1 424 ? 2.541 -6.949 4.748 1.00 6.64 ? 424 GLY A C 1 ATOM 3205 O O . GLY A 1 424 ? 2.694 -5.821 5.217 1.00 7.26 ? 424 GLY A O 1 ATOM 3206 N N . GLY A 1 425 ? 2.562 -8.057 5.475 1.00 6.40 ? 425 GLY A N 1 ATOM 3207 C CA . GLY A 1 425 ? 2.804 -8.026 6.910 1.00 5.35 ? 425 GLY A CA 1 ATOM 3208 C C . GLY A 1 425 ? 2.622 -9.413 7.465 1.00 5.32 ? 425 GLY A C 1 ATOM 3209 O O . GLY A 1 425 ? 2.188 -10.324 6.758 1.00 5.67 ? 425 GLY A O 1 ATOM 3210 N N . GLU A 1 426 ? 2.975 -9.583 8.732 1.00 5.02 ? 426 GLU A N 1 ATOM 3211 C CA . GLU A 1 426 ? 2.824 -10.864 9.403 1.00 4.55 ? 426 GLU A CA 1 ATOM 3212 C C . GLU A 1 426 ? 2.740 -10.653 10.901 1.00 4.73 ? 426 GLU A C 1 ATOM 3213 O O . GLU A 1 426 ? 3.199 -9.629 11.436 1.00 4.78 ? 426 GLU A O 1 ATOM 3214 C CB . GLU A 1 426 ? 3.989 -11.825 9.043 1.00 4.62 ? 426 GLU A CB 1 ATOM 3215 C CG . GLU A 1 426 ? 3.806 -13.301 9.465 1.00 4.79 ? 426 GLU A CG 1 ATOM 3216 C CD . GLU A 1 426 ? 2.444 -13.861 9.044 1.00 5.72 ? 426 GLU A CD 1 ATOM 3217 O OE1 . GLU A 1 426 ? 2.367 -14.550 7.991 1.00 6.14 ? 426 GLU A OE1 1 ATOM 3218 O OE2 . GLU A 1 426 ? 1.460 -13.597 9.761 1.00 5.09 ? 426 GLU A OE2 1 ATOM 3219 N N . TYR A 1 427 ? 2.138 -11.633 11.568 1.00 4.24 ? 427 TYR A N 1 ATOM 3220 C CA . TYR A 1 427 ? 2.108 -11.711 13.021 1.00 4.49 ? 427 TYR A CA 1 ATOM 3221 C C . TYR A 1 427 ? 3.156 -12.716 13.487 1.00 4.83 ? 427 TYR A C 1 ATOM 3222 O O . TYR A 1 427 ? 3.147 -13.886 13.059 1.00 4.80 ? 427 TYR A O 1 ATOM 3223 C CB . TYR A 1 427 ? 0.725 -12.154 13.502 1.00 4.88 ? 427 TYR A CB 1 ATOM 3224 C CG . TYR A 1 427 ? -0.430 -11.235 13.134 1.00 4.31 ? 427 TYR A CG 1 ATOM 3225 C CD1 . TYR A 1 427 ? -0.316 -9.850 13.259 1.00 5.41 ? 427 TYR A CD1 1 ATOM 3226 C CD2 . TYR A 1 427 ? -1.649 -11.756 12.699 1.00 3.94 ? 427 TYR A CD2 1 ATOM 3227 C CE1 . TYR A 1 427 ? -1.369 -9.009 12.949 1.00 5.05 ? 427 TYR A CE1 1 ATOM 3228 C CE2 . TYR A 1 427 ? -2.721 -10.918 12.391 1.00 4.95 ? 427 TYR A CE2 1 ATOM 3229 C CZ . TYR A 1 427 ? -2.571 -9.544 12.518 1.00 4.83 ? 427 TYR A CZ 1 ATOM 3230 O OH . TYR A 1 427 ? -3.604 -8.695 12.219 1.00 6.20 ? 427 TYR A OH 1 ATOM 3231 N N . PHE A 1 428 ? 4.072 -12.250 14.341 1.00 4.68 ? 428 PHE A N 1 ATOM 3232 C CA . PHE A 1 428 ? 5.152 -13.079 14.881 1.00 4.96 ? 428 PHE A CA 1 ATOM 3233 C C . PHE A 1 428 ? 5.076 -13.156 16.399 1.00 4.89 ? 428 PHE A C 1 ATOM 3234 O O . PHE A 1 428 ? 4.539 -12.256 17.051 1.00 5.18 ? 428 PHE A O 1 ATOM 3235 C CB . PHE A 1 428 ? 6.522 -12.500 14.503 1.00 5.01 ? 428 PHE A CB 1 ATOM 3236 C CG . PHE A 1 428 ? 6.775 -12.426 13.023 1.00 4.29 ? 428 PHE A CG 1 ATOM 3237 C CD1 . PHE A 1 428 ? 7.197 -13.557 12.319 1.00 5.35 ? 428 PHE A CD1 1 ATOM 3238 C CD2 . PHE A 1 428 ? 6.634 -11.217 12.339 1.00 4.83 ? 428 PHE A CD2 1 ATOM 3239 C CE1 . PHE A 1 428 ? 7.435 -13.487 10.960 1.00 5.69 ? 428 PHE A CE1 1 ATOM 3240 C CE2 . PHE A 1 428 ? 6.881 -11.148 10.969 1.00 4.35 ? 428 PHE A CE2 1 ATOM 3241 C CZ . PHE A 1 428 ? 7.296 -12.285 10.281 1.00 4.63 ? 428 PHE A CZ 1 ATOM 3242 N N . PHE A 1 429 ? 5.634 -14.228 16.950 1.00 4.24 ? 429 PHE A N 1 ATOM 3243 C CA . PHE A 1 429 ? 5.862 -14.325 18.391 1.00 4.26 ? 429 PHE A CA 1 ATOM 3244 C C . PHE A 1 429 ? 7.354 -14.316 18.634 1.00 4.26 ? 429 PHE A C 1 ATOM 3245 O O . PHE A 1 429 ? 8.069 -15.115 18.044 1.00 4.11 ? 429 PHE A O 1 ATOM 3246 C CB . PHE A 1 429 ? 5.261 -15.608 18.965 1.00 4.82 ? 429 PHE A CB 1 ATOM 3247 C CG . PHE A 1 429 ? 5.470 -15.750 20.448 1.00 5.22 ? 429 PHE A CG 1 ATOM 3248 C CD1 . PHE A 1 429 ? 4.835 -14.882 21.331 1.00 5.13 ? 429 PHE A CD1 1 ATOM 3249 C CD2 . PHE A 1 429 ? 6.346 -16.706 20.950 1.00 4.99 ? 429 PHE A CD2 1 ATOM 3250 C CE1 . PHE A 1 429 ? 5.030 -14.996 22.716 1.00 4.67 ? 429 PHE A CE1 1 ATOM 3251 C CE2 . PHE A 1 429 ? 6.561 -16.832 22.327 1.00 5.36 ? 429 PHE A CE2 1 ATOM 3252 C CZ . PHE A 1 429 ? 5.895 -15.976 23.216 1.00 4.99 ? 429 PHE A CZ 1 ATOM 3253 N N . LEU A 1 430 ? 7.799 -13.404 19.491 1.00 4.20 ? 430 LEU A N 1 ATOM 3254 C CA . LEU A 1 430 ? 9.202 -13.336 19.910 1.00 4.81 ? 430 LEU A CA 1 ATOM 3255 C C . LEU A 1 430 ? 9.307 -13.956 21.292 1.00 4.60 ? 430 LEU A C 1 ATOM 3256 O O . LEU A 1 430 ? 8.827 -13.368 22.267 1.00 4.51 ? 430 LEU A O 1 ATOM 3257 C CB . LEU A 1 430 ? 9.707 -11.887 19.945 1.00 4.85 ? 430 LEU A CB 1 ATOM 3258 C CG . LEU A 1 430 ? 10.075 -11.239 18.612 1.00 4.55 ? 430 LEU A CG 1 ATOM 3259 C CD1 . LEU A 1 430 ? 8.827 -10.930 17.765 1.00 6.13 ? 430 LEU A CD1 1 ATOM 3260 C CD2 . LEU A 1 430 ? 10.871 -9.979 18.873 1.00 7.48 ? 430 LEU A CD2 1 ATOM 3261 N N . PRO A 1 431 ? 9.934 -15.138 21.390 1.00 4.72 ? 431 PRO A N 1 ATOM 3262 C CA . PRO A 1 431 ? 10.021 -15.769 22.715 1.00 5.17 ? 431 PRO A CA 1 ATOM 3263 C C . PRO A 1 431 ? 11.054 -15.064 23.577 1.00 5.42 ? 431 PRO A C 1 ATOM 3264 O O . PRO A 1 431 ? 11.795 -14.195 23.094 1.00 5.56 ? 431 PRO A O 1 ATOM 3265 C CB . PRO A 1 431 ? 10.492 -17.198 22.403 1.00 5.18 ? 431 PRO A CB 1 ATOM 3266 C CG . PRO A 1 431 ? 10.165 -17.404 20.926 1.00 5.03 ? 431 PRO A CG 1 ATOM 3267 C CD . PRO A 1 431 ? 10.387 -16.042 20.317 1.00 4.91 ? 431 PRO A CD 1 ATOM 3268 N N . SER A 1 432 ? 11.088 -15.423 24.849 1.00 5.72 ? 432 SER A N 1 ATOM 3269 C CA . SER A 1 432 ? 12.185 -15.026 25.716 1.00 6.11 ? 432 SER A CA 1 ATOM 3270 C C . SER A 1 432 ? 13.478 -15.664 25.216 1.00 6.02 ? 432 SER A C 1 ATOM 3271 O O . SER A 1 432 ? 13.462 -16.619 24.437 1.00 6.25 ? 432 SER A O 1 ATOM 3272 C CB . SER A 1 432 ? 11.895 -15.460 27.149 1.00 6.56 ? 432 SER A CB 1 ATOM 3273 O OG . SER A 1 432 ? 12.036 -16.867 27.275 1.00 6.54 ? 432 SER A OG 1 ATOM 3274 N N . ILE A 1 433 ? 14.610 -15.131 25.663 1.00 6.70 ? 433 ILE A N 1 ATOM 3275 C CA . ILE A 1 433 ? 15.900 -15.631 25.202 1.00 7.21 ? 433 ILE A CA 1 ATOM 3276 C C . ILE A 1 433 ? 16.145 -17.088 25.654 1.00 7.29 ? 433 ILE A C 1 ATOM 3277 O O . ILE A 1 433 ? 16.573 -17.928 24.860 1.00 7.83 ? 433 ILE A O 1 ATOM 3278 C CB . ILE A 1 433 ? 17.046 -14.663 25.586 1.00 7.32 ? 433 ILE A CB 1 ATOM 3279 C CG1 . ILE A 1 433 ? 16.854 -13.321 24.856 1.00 8.20 ? 433 ILE A CG1 1 ATOM 3280 C CG2 . ILE A 1 433 ? 18.386 -15.281 25.232 1.00 8.19 ? 433 ILE A CG2 1 ATOM 3281 C CD1 . ILE A 1 433 ? 17.819 -12.231 25.294 1.00 8.53 ? 433 ILE A CD1 1 ATOM 3282 N N . SER A 1 434 ? 15.836 -17.384 26.915 1.00 7.69 ? 434 SER A N 1 ATOM 3283 C CA . SER A 1 434 ? 15.908 -18.759 27.408 1.00 8.18 ? 434 SER A CA 1 ATOM 3284 C C . SER A 1 434 ? 14.967 -19.686 26.632 1.00 8.26 ? 434 SER A C 1 ATOM 3285 O O . SER A 1 434 ? 15.341 -20.809 26.294 1.00 8.50 ? 434 SER A O 1 ATOM 3286 C CB . SER A 1 434 ? 15.625 -18.824 28.912 1.00 8.73 ? 434 SER A CB 1 ATOM 3287 O OG . SER A 1 434 ? 14.332 -18.334 29.228 1.00 9.40 ? 434 SER A OG 1 ATOM 3288 N N . ALA A 1 435 ? 13.767 -19.200 26.310 1.00 7.84 ? 435 ALA A N 1 ATOM 3289 C CA . ALA A 1 435 ? 12.820 -20.008 25.547 1.00 8.03 ? 435 ALA A CA 1 ATOM 3290 C C . ALA A 1 435 ? 13.345 -20.355 24.160 1.00 8.13 ? 435 ALA A C 1 ATOM 3291 O O . ALA A 1 435 ? 13.088 -21.445 23.660 1.00 7.66 ? 435 ALA A O 1 ATOM 3292 C CB . ALA A 1 435 ? 11.456 -19.331 25.450 1.00 8.29 ? 435 ALA A CB 1 ATOM 3293 N N . LEU A 1 436 ? 14.081 -19.434 23.534 1.00 7.87 ? 436 LEU A N 1 ATOM 3294 C CA . LEU A 1 436 ? 14.695 -19.731 22.235 1.00 8.44 ? 436 LEU A CA 1 ATOM 3295 C C . LEU A 1 436 ? 15.538 -21.007 22.258 1.00 9.23 ? 436 LEU A C 1 ATOM 3296 O O . LEU A 1 436 ? 15.472 -21.818 21.340 1.00 9.17 ? 436 LEU A O 1 ATOM 3297 C CB . LEU A 1 436 ? 15.537 -18.550 21.736 1.00 8.23 ? 436 LEU A CB 1 ATOM 3298 C CG . LEU A 1 436 ? 14.762 -17.324 21.247 1.00 7.56 ? 436 LEU A CG 1 ATOM 3299 C CD1 . LEU A 1 436 ? 15.706 -16.156 20.953 1.00 7.45 ? 436 LEU A CD1 1 ATOM 3300 C CD2 . LEU A 1 436 ? 13.929 -17.679 20.021 1.00 7.27 ? 436 LEU A CD2 1 ATOM 3301 N N . THR A 1 437 ? 16.323 -21.189 23.319 1.00 10.09 ? 437 THR A N 1 ATOM 3302 C CA . THR A 1 437 ? 17.221 -22.353 23.374 1.00 11.31 ? 437 THR A CA 1 ATOM 3303 C C . THR A 1 437 ? 16.655 -23.549 24.138 1.00 11.55 ? 437 THR A C 1 ATOM 3304 O O . THR A 1 437 ? 16.926 -24.698 23.765 1.00 13.12 ? 437 THR A O 1 ATOM 3305 C CB . THR A 1 437 ? 18.618 -22.006 23.929 1.00 11.51 ? 437 THR A CB 1 ATOM 3306 O OG1 . THR A 1 437 ? 18.494 -21.471 25.246 1.00 12.56 ? 437 THR A OG1 1 ATOM 3307 C CG2 . THR A 1 437 ? 19.328 -20.997 23.039 1.00 12.73 ? 437 THR A CG2 1 ATOM 3308 N N . ALA A 1 438 ? 15.850 -23.285 25.170 1.00 10.94 ? 438 ALA A N 1 ATOM 3309 C CA . ALA A 1 438 ? 15.331 -24.351 26.029 1.00 11.30 ? 438 ALA A CA 1 ATOM 3310 C C . ALA A 1 438 ? 14.034 -24.959 25.504 1.00 11.15 ? 438 ALA A C 1 ATOM 3311 O O . ALA A 1 438 ? 13.704 -26.103 25.847 1.00 12.30 ? 438 ALA A O 1 ATOM 3312 C CB . ALA A 1 438 ? 15.146 -23.849 27.450 1.00 11.08 ? 438 ALA A CB 1 ATOM 3313 N N . THR A 1 439 ? 13.300 -24.199 24.690 1.00 10.75 ? 439 THR A N 1 ATOM 3314 C CA . THR A 1 439 ? 12.032 -24.664 24.117 1.00 10.62 ? 439 THR A CA 1 ATOM 3315 C C . THR A 1 439 ? 12.099 -24.777 22.594 1.00 10.35 ? 439 THR A C 1 ATOM 3316 O O . THR A 1 439 ? 11.927 -25.864 22.043 1.00 10.81 ? 439 THR A O 1 ATOM 3317 C CB . THR A 1 439 ? 10.841 -23.761 24.520 1.00 10.88 ? 439 THR A CB 1 ATOM 3318 O OG1 . THR A 1 439 ? 10.697 -23.784 25.939 1.00 12.47 ? 439 THR A OG1 1 ATOM 3319 C CG2 . THR A 1 439 ? 9.539 -24.246 23.880 1.00 10.90 ? 439 THR A CG2 1 ATOM 3320 N N . ILE A 1 440 ? 12.358 -23.663 21.912 1.00 9.81 ? 440 ILE A N 1 ATOM 3321 C CA . ILE A 1 440 ? 12.355 -23.667 20.449 1.00 9.99 ? 440 ILE A CA 1 ATOM 3322 C C . ILE A 1 440 ? 13.431 -24.611 19.902 1.00 10.82 ? 440 ILE A C 1 ATOM 3323 O O . ILE A 1 440 ? 13.176 -25.383 18.980 1.00 11.23 ? 440 ILE A O 1 ATOM 3324 C CB . ILE A 1 440 ? 12.513 -22.241 19.847 1.00 10.11 ? 440 ILE A CB 1 ATOM 3325 C CG1 . ILE A 1 440 ? 11.527 -21.249 20.487 1.00 10.04 ? 440 ILE A CG1 1 ATOM 3326 C CG2 . ILE A 1 440 ? 12.379 -22.277 18.317 1.00 10.43 ? 440 ILE A CG2 1 ATOM 3327 C CD1 . ILE A 1 440 ? 10.033 -21.572 20.293 1.00 11.59 ? 440 ILE A CD1 1 ATOM 3328 N N . ALA A 1 441 ? 14.625 -24.557 20.483 1.00 12.09 ? 441 ALA A N 1 ATOM 3329 C CA . ALA A 1 441 ? 15.740 -25.355 19.972 1.00 13.76 ? 441 ALA A CA 1 ATOM 3330 C C . ALA A 1 441 ? 15.915 -26.708 20.665 1.00 15.25 ? 441 ALA A C 1 ATOM 3331 O O . ALA A 1 441 ? 16.856 -27.445 20.347 1.00 15.39 ? 441 ALA A O 1 ATOM 3332 C CB . ALA A 1 441 ? 17.031 -24.552 20.045 1.00 13.94 ? 441 ALA A CB 1 ATOM 3333 N N . ALA A 1 442 ? 15.012 -27.032 21.593 1.00 16.68 ? 442 ALA A N 1 ATOM 3334 C CA . ALA A 1 442 ? 15.098 -28.261 22.400 1.00 18.34 ? 442 ALA A CA 1 ATOM 3335 C C . ALA A 1 442 ? 15.285 -29.503 21.534 1.00 19.31 ? 442 ALA A C 1 ATOM 3336 O O . ALA A 1 442 ? 16.117 -30.370 21.837 1.00 20.26 ? 442 ALA A O 1 ATOM 3337 C CB . ALA A 1 442 ? 13.863 -28.408 23.278 1.00 18.44 ? 442 ALA A CB 1 ATOM 3338 O OXT . ALA A 1 442 ? 14.619 -29.653 20.508 1.00 19.87 ? 442 ALA A OXT 1 HETATM 3339 C CHA . HEM B 2 . ? 2.089 7.814 16.580 1.00 4.24 ? 501 HEM A CHA 1 HETATM 3340 C CHB . HEM B 2 . ? 3.107 8.098 11.859 1.00 4.91 ? 501 HEM A CHB 1 HETATM 3341 C CHC . HEM B 2 . ? 0.963 3.820 11.152 1.00 4.18 ? 501 HEM A CHC 1 HETATM 3342 C CHD . HEM B 2 . ? -0.182 3.576 15.835 1.00 4.76 ? 501 HEM A CHD 1 HETATM 3343 C C1A . HEM B 2 . ? 2.532 8.277 15.375 1.00 3.93 ? 501 HEM A C1A 1 HETATM 3344 C C2A . HEM B 2 . ? 3.216 9.526 15.139 1.00 5.30 ? 501 HEM A C2A 1 HETATM 3345 C C3A . HEM B 2 . ? 3.500 9.583 13.835 1.00 4.63 ? 501 HEM A C3A 1 HETATM 3346 C C4A . HEM B 2 . ? 3.000 8.386 13.201 1.00 4.21 ? 501 HEM A C4A 1 HETATM 3347 C CMA . HEM B 2 . ? 4.205 10.715 13.075 1.00 4.79 ? 501 HEM A CMA 1 HETATM 3348 C CAA . HEM B 2 . ? 3.540 10.599 16.199 1.00 5.80 ? 501 HEM A CAA 1 HETATM 3349 C CBA . HEM B 2 . ? 4.773 10.212 17.022 1.00 5.76 ? 501 HEM A CBA 1 HETATM 3350 C CGA . HEM B 2 . ? 4.389 9.677 18.376 1.00 8.17 ? 501 HEM A CGA 1 HETATM 3351 O O1A . HEM B 2 . ? 3.370 10.148 18.937 1.00 10.31 ? 501 HEM A O1A 1 HETATM 3352 O O2A . HEM B 2 . ? 5.111 8.811 18.895 1.00 10.86 ? 501 HEM A O2A 1 HETATM 3353 C C1B . HEM B 2 . ? 2.643 6.962 11.237 1.00 4.45 ? 501 HEM A C1B 1 HETATM 3354 C C2B . HEM B 2 . ? 2.818 6.587 9.847 1.00 5.24 ? 501 HEM A C2B 1 HETATM 3355 C C3B . HEM B 2 . ? 2.244 5.397 9.665 1.00 4.34 ? 501 HEM A C3B 1 HETATM 3356 C C4B . HEM B 2 . ? 1.675 4.972 10.928 1.00 3.37 ? 501 HEM A C4B 1 HETATM 3357 C CMB . HEM B 2 . ? 3.564 7.447 8.804 1.00 6.12 ? 501 HEM A CMB 1 HETATM 3358 C CAB . HEM B 2 . ? 2.151 4.565 8.373 1.00 4.82 ? 501 HEM A CAB 1 HETATM 3359 C CBB . HEM B 2 . ? 3.074 4.659 7.405 1.00 5.31 ? 501 HEM A CBB 1 HETATM 3360 C C1C . HEM B 2 . ? 0.413 3.417 12.344 1.00 3.95 ? 501 HEM A C1C 1 HETATM 3361 C C2C . HEM B 2 . ? -0.430 2.255 12.546 1.00 4.61 ? 501 HEM A C2C 1 HETATM 3362 C C3C . HEM B 2 . ? -0.756 2.192 13.850 1.00 4.42 ? 501 HEM A C3C 1 HETATM 3363 C C4C . HEM B 2 . ? -0.122 3.309 14.497 1.00 5.12 ? 501 HEM A C4C 1 HETATM 3364 C CMC . HEM B 2 . ? -0.802 1.268 11.422 1.00 5.03 ? 501 HEM A CMC 1 HETATM 3365 C CAC . HEM B 2 . ? -1.605 1.137 14.588 1.00 5.56 ? 501 HEM A CAC 1 HETATM 3366 C CBC . HEM B 2 . ? -2.667 0.561 14.001 1.00 5.41 ? 501 HEM A CBC 1 HETATM 3367 C C1D . HEM B 2 . ? 0.399 4.640 16.463 1.00 3.56 ? 501 HEM A C1D 1 HETATM 3368 C C2D . HEM B 2 . ? 0.415 4.816 17.889 1.00 4.85 ? 501 HEM A C2D 1 HETATM 3369 C C3D . HEM B 2 . ? 1.114 6.126 18.111 1.00 4.66 ? 501 HEM A C3D 1 HETATM 3370 C C4D . HEM B 2 . ? 1.454 6.631 16.806 1.00 4.08 ? 501 HEM A C4D 1 HETATM 3371 C CMD . HEM B 2 . ? -0.138 3.884 18.976 1.00 6.27 ? 501 HEM A CMD 1 HETATM 3372 C CAD . HEM B 2 . ? 1.376 6.777 19.476 1.00 5.10 ? 501 HEM A CAD 1 HETATM 3373 C CBD . HEM B 2 . ? 0.081 7.474 19.883 1.00 5.15 ? 501 HEM A CBD 1 HETATM 3374 C CGD . HEM B 2 . ? 0.146 7.991 21.291 1.00 4.35 ? 501 HEM A CGD 1 HETATM 3375 O O1D . HEM B 2 . ? -0.309 9.142 21.498 1.00 6.01 ? 501 HEM A O1D 1 HETATM 3376 O O2D . HEM B 2 . ? 0.629 7.278 22.213 1.00 5.40 ? 501 HEM A O2D 1 HETATM 3377 N NA . HEM B 2 . ? 2.429 7.601 14.178 1.00 3.91 ? 501 HEM A NA 1 HETATM 3378 N NB . HEM B 2 . ? 1.935 5.952 11.863 1.00 4.19 ? 501 HEM A NB 1 HETATM 3379 N NC . HEM B 2 . ? 0.548 4.059 13.560 1.00 4.56 ? 501 HEM A NC 1 HETATM 3380 N ND . HEM B 2 . ? 1.033 5.717 15.844 1.00 4.03 ? 501 HEM A ND 1 HETATM 3381 FE FE . HEM B 2 . ? 1.454 5.851 13.843 1.00 4.17 ? 501 HEM A FE 1 HETATM 3382 C C1 . NAG C 3 . ? -8.171 37.229 6.335 1.00 22.88 ? 502 NAG A C1 1 HETATM 3383 C C2 . NAG C 3 . ? -7.954 38.728 6.134 1.00 25.74 ? 502 NAG A C2 1 HETATM 3384 C C3 . NAG C 3 . ? -9.178 39.363 5.473 1.00 26.22 ? 502 NAG A C3 1 HETATM 3385 C C4 . NAG C 3 . ? -9.612 38.583 4.226 1.00 26.02 ? 502 NAG A C4 1 HETATM 3386 C C5 . NAG C 3 . ? -9.774 37.097 4.555 1.00 25.26 ? 502 NAG A C5 1 HETATM 3387 C C6 . NAG C 3 . ? -10.077 36.255 3.320 1.00 25.50 ? 502 NAG A C6 1 HETATM 3388 C C7 . NAG C 3 . ? -6.478 39.866 7.733 1.00 26.52 ? 502 NAG A C7 1 HETATM 3389 C C8 . NAG C 3 . ? -6.376 40.495 9.091 1.00 26.77 ? 502 NAG A C8 1 HETATM 3390 N N2 . NAG C 3 . ? -7.676 39.371 7.407 1.00 25.51 ? 502 NAG A N2 1 HETATM 3391 O O3 . NAG C 3 . ? -8.895 40.710 5.145 1.00 27.22 ? 502 NAG A O3 1 HETATM 3392 O O4 . NAG C 3 . ? -10.828 39.103 3.740 1.00 27.34 ? 502 NAG A O4 1 HETATM 3393 O O5 . NAG C 3 . ? -8.569 36.625 5.116 1.00 24.77 ? 502 NAG A O5 1 HETATM 3394 O O6 . NAG C 3 . ? -10.396 34.937 3.720 1.00 26.12 ? 502 NAG A O6 1 HETATM 3395 O O7 . NAG C 3 . ? -5.487 39.831 6.998 1.00 26.37 ? 502 NAG A O7 1 HETATM 3396 C C . CYN D 4 . ? 3.211 4.753 14.141 1.00 6.70 ? 503 CYN A C 1 HETATM 3397 N N . CYN D 4 . ? 4.290 4.360 14.119 1.00 11.58 ? 503 CYN A N 1 HETATM 3398 O O . HOH E 5 . ? -2.803 10.362 21.762 1.00 5.71 ? 1001 HOH A O 1 HETATM 3399 O O . HOH E 5 . ? -1.975 -18.048 19.402 1.00 6.10 ? 1002 HOH A O 1 HETATM 3400 O O . HOH E 5 . ? -7.046 -0.387 32.711 1.00 16.31 ? 1003 HOH A O 1 HETATM 3401 O O . HOH E 5 . ? 11.550 -11.825 24.728 1.00 6.46 ? 1004 HOH A O 1 HETATM 3402 O O . HOH E 5 . ? -5.462 -11.326 19.630 1.00 7.33 ? 1005 HOH A O 1 HETATM 3403 O O . HOH E 5 . ? -2.937 3.008 22.433 1.00 8.11 ? 1006 HOH A O 1 HETATM 3404 O O . HOH E 5 . ? 3.074 -13.599 5.448 1.00 7.66 ? 1007 HOH A O 1 HETATM 3405 O O . HOH E 5 . ? -0.855 -20.567 18.900 1.00 7.17 ? 1008 HOH A O 1 HETATM 3406 O O . HOH E 5 . ? 1.588 4.736 22.521 1.00 6.08 ? 1009 HOH A O 1 HETATM 3407 O O . HOH E 5 . ? 3.270 -17.114 8.068 1.00 6.44 ? 1010 HOH A O 1 HETATM 3408 O O . HOH E 5 . ? 1.987 30.192 0.582 1.00 9.82 ? 1011 HOH A O 1 HETATM 3409 O O . HOH E 5 . ? 3.626 3.204 21.153 1.00 4.72 ? 1012 HOH A O 1 HETATM 3410 O O . HOH E 5 . ? 1.568 -16.245 12.401 1.00 5.43 ? 1013 HOH A O 1 HETATM 3411 O O . HOH E 5 . ? -2.315 16.477 20.138 1.00 5.50 ? 1014 HOH A O 1 HETATM 3412 O O . HOH E 5 . ? -4.958 22.156 16.274 1.00 6.40 ? 1015 HOH A O 1 HETATM 3413 O O . HOH E 5 . ? 1.743 -18.172 10.169 1.00 6.55 ? 1016 HOH A O 1 HETATM 3414 O O . HOH E 5 . ? -13.525 20.492 9.252 1.00 7.32 ? 1017 HOH A O 1 HETATM 3415 O O . HOH E 5 . ? 6.333 10.240 26.824 1.00 10.00 ? 1018 HOH A O 1 HETATM 3416 O O . HOH E 5 . ? -12.447 14.088 13.254 1.00 6.67 ? 1019 HOH A O 1 HETATM 3417 O O . HOH E 5 . ? -4.143 -6.081 26.422 1.00 6.12 ? 1020 HOH A O 1 HETATM 3418 O O . HOH E 5 . ? -6.714 25.121 15.966 1.00 8.03 ? 1021 HOH A O 1 HETATM 3419 O O . HOH E 5 . ? 1.117 -29.128 21.746 1.00 7.26 ? 1022 HOH A O 1 HETATM 3420 O O . HOH E 5 . ? 0.049 -14.519 6.599 1.00 7.77 ? 1023 HOH A O 1 HETATM 3421 O O . HOH E 5 . ? -2.414 -15.701 6.727 1.00 7.67 ? 1024 HOH A O 1 HETATM 3422 O O . HOH E 5 . ? -2.447 -3.889 23.832 1.00 5.58 ? 1025 HOH A O 1 HETATM 3423 O O . HOH E 5 . ? -0.177 2.536 22.517 1.00 9.21 ? 1026 HOH A O 1 HETATM 3424 O O . HOH E 5 . ? -11.164 23.537 23.639 1.00 9.86 ? 1027 HOH A O 1 HETATM 3425 O O . HOH E 5 . ? 8.399 6.584 6.745 1.00 7.17 ? 1028 HOH A O 1 HETATM 3426 O O . HOH E 5 . ? -3.381 0.893 7.351 1.00 9.57 ? 1029 HOH A O 1 HETATM 3427 O O . HOH E 5 . ? -4.791 3.608 24.584 1.00 11.66 ? 1030 HOH A O 1 HETATM 3428 O O . HOH E 5 . ? 5.229 14.339 15.271 1.00 6.92 ? 1031 HOH A O 1 HETATM 3429 O O . HOH E 5 . ? 24.309 -12.141 13.203 1.00 11.64 ? 1032 HOH A O 1 HETATM 3430 O O . HOH E 5 . ? 12.014 -3.122 14.986 1.00 7.65 ? 1033 HOH A O 1 HETATM 3431 O O . HOH E 5 . ? -1.939 -6.406 24.811 1.00 6.82 ? 1034 HOH A O 1 HETATM 3432 O O . HOH E 5 . ? 7.905 12.513 25.935 1.00 10.66 ? 1035 HOH A O 1 HETATM 3433 O O . HOH E 5 . ? -5.128 -13.989 11.607 1.00 9.92 ? 1036 HOH A O 1 HETATM 3434 O O . HOH E 5 . ? -3.234 8.163 4.155 1.00 9.71 ? 1037 HOH A O 1 HETATM 3435 O O . HOH E 5 . ? -13.286 1.409 22.346 1.00 13.01 ? 1038 HOH A O 1 HETATM 3436 O O . HOH E 5 . ? 4.140 -15.842 4.158 1.00 8.57 ? 1039 HOH A O 1 HETATM 3437 O O . HOH E 5 . ? 8.888 -16.916 25.867 1.00 6.76 ? 1040 HOH A O 1 HETATM 3438 O O . HOH E 5 . ? 7.269 7.933 25.427 1.00 7.57 ? 1041 HOH A O 1 HETATM 3439 O O . HOH E 5 . ? 10.236 11.659 2.100 1.00 11.08 ? 1042 HOH A O 1 HETATM 3440 O O . HOH E 5 . ? -2.387 -0.963 9.177 1.00 8.51 ? 1043 HOH A O 1 HETATM 3441 O O . HOH E 5 . ? 5.923 15.026 27.995 1.00 7.35 ? 1044 HOH A O 1 HETATM 3442 O O . HOH E 5 . ? 6.286 8.477 -2.134 1.00 8.05 ? 1045 HOH A O 1 HETATM 3443 O O . HOH E 5 . ? 26.881 -9.894 18.994 1.00 14.59 ? 1046 HOH A O 1 HETATM 3444 O O . HOH E 5 . ? -3.363 -21.553 25.115 1.00 8.95 ? 1047 HOH A O 1 HETATM 3445 O O . HOH E 5 . ? -0.901 -17.494 31.061 1.00 10.77 ? 1048 HOH A O 1 HETATM 3446 O O . HOH E 5 . ? -6.141 -17.006 25.384 1.00 8.32 ? 1049 HOH A O 1 HETATM 3447 O O . HOH E 5 . ? 4.132 20.429 10.706 1.00 12.37 ? 1050 HOH A O 1 HETATM 3448 O O . HOH E 5 . ? -0.457 -19.921 9.967 1.00 9.56 ? 1051 HOH A O 1 HETATM 3449 O O . HOH E 5 . ? 9.512 10.919 24.196 1.00 12.19 ? 1052 HOH A O 1 HETATM 3450 O O . HOH E 5 . ? 14.030 8.779 10.408 1.00 8.95 ? 1053 HOH A O 1 HETATM 3451 O O . HOH E 5 . ? -6.577 -24.497 21.511 1.00 12.72 ? 1054 HOH A O 1 HETATM 3452 O O . HOH E 5 . ? 2.397 6.568 26.621 1.00 14.58 ? 1055 HOH A O 1 HETATM 3453 O O . HOH E 5 . ? -10.017 9.016 20.256 1.00 9.36 ? 1056 HOH A O 1 HETATM 3454 O O . HOH E 5 . ? -8.049 27.360 15.525 1.00 8.23 ? 1057 HOH A O 1 HETATM 3455 O O . HOH E 5 . ? 1.163 4.497 25.240 1.00 9.22 ? 1058 HOH A O 1 HETATM 3456 O O . HOH E 5 . ? -3.129 -13.064 22.798 1.00 10.07 ? 1059 HOH A O 1 HETATM 3457 O O . HOH E 5 . ? 1.524 -18.113 32.102 1.00 14.04 ? 1060 HOH A O 1 HETATM 3458 O O . HOH E 5 . ? 24.357 -26.715 18.749 1.00 13.93 ? 1061 HOH A O 1 HETATM 3459 O O . HOH E 5 . ? 30.090 -6.446 17.753 1.00 14.81 ? 1062 HOH A O 1 HETATM 3460 O O . HOH E 5 . ? 14.329 5.826 4.665 1.00 13.17 ? 1063 HOH A O 1 HETATM 3461 O O . HOH E 5 . ? 11.606 -15.067 31.524 1.00 10.42 ? 1064 HOH A O 1 HETATM 3462 O O . HOH E 5 . ? -5.556 -0.721 1.671 1.00 16.11 ? 1065 HOH A O 1 HETATM 3463 O O . HOH E 5 . ? 1.258 26.486 9.890 1.00 13.17 ? 1066 HOH A O 1 HETATM 3464 O O . HOH E 5 . ? -3.359 1.842 4.872 1.00 12.68 ? 1067 HOH A O 1 HETATM 3465 O O . HOH E 5 . ? -12.294 -2.649 9.582 1.00 14.05 ? 1068 HOH A O 1 HETATM 3466 O O . HOH E 5 . ? 24.317 -9.004 18.563 1.00 12.79 ? 1069 HOH A O 1 HETATM 3467 O O . HOH E 5 . ? -7.761 -11.408 4.328 1.00 11.52 ? 1070 HOH A O 1 HETATM 3468 O O . HOH E 5 . ? 2.242 -23.495 18.392 1.00 17.57 ? 1071 HOH A O 1 HETATM 3469 O O . HOH E 5 . ? -7.043 6.313 28.231 1.00 14.14 ? 1072 HOH A O 1 HETATM 3470 O O . HOH E 5 . ? -6.618 -13.114 21.465 1.00 13.82 ? 1073 HOH A O 1 HETATM 3471 O O . HOH E 5 . ? 3.604 -17.821 30.414 1.00 13.53 ? 1074 HOH A O 1 HETATM 3472 O O . HOH E 5 . ? -2.888 -17.130 4.320 1.00 14.46 ? 1075 HOH A O 1 HETATM 3473 O O . HOH E 5 . ? -9.574 -11.053 6.743 1.00 14.99 ? 1076 HOH A O 1 HETATM 3474 O O . HOH E 5 . ? -1.744 7.447 27.243 1.00 13.03 ? 1077 HOH A O 1 HETATM 3475 O O . HOH E 5 . ? 4.330 31.081 4.350 1.00 18.63 ? 1078 HOH A O 1 HETATM 3476 O O . HOH E 5 . ? 0.894 8.757 26.435 1.00 13.97 ? 1079 HOH A O 1 HETATM 3477 O O . HOH E 5 . ? -3.217 -2.860 0.653 1.00 13.48 ? 1080 HOH A O 1 HETATM 3478 O O . HOH E 5 . ? -1.402 -14.653 30.883 1.00 14.03 ? 1081 HOH A O 1 HETATM 3479 O O . HOH E 5 . ? -10.339 27.990 8.397 1.00 10.46 ? 1082 HOH A O 1 HETATM 3480 O O . HOH E 5 . ? -6.081 -4.813 30.570 1.00 19.17 ? 1083 HOH A O 1 HETATM 3481 O O . HOH E 5 . ? 2.707 19.645 8.484 1.00 12.64 ? 1084 HOH A O 1 HETATM 3482 O O . HOH E 5 . ? -16.665 25.095 13.444 1.00 14.43 ? 1085 HOH A O 1 HETATM 3483 O O . HOH E 5 . ? -2.544 -22.699 18.075 1.00 12.78 ? 1086 HOH A O 1 HETATM 3484 O O . HOH E 5 . ? -5.551 1.579 26.422 1.00 9.13 ? 1087 HOH A O 1 HETATM 3485 O O . HOH E 5 . ? 6.560 4.915 -2.469 1.00 10.38 ? 1088 HOH A O 1 HETATM 3486 O O . HOH E 5 . ? -15.157 15.388 13.182 1.00 9.98 ? 1089 HOH A O 1 HETATM 3487 O O . HOH E 5 . ? 1.317 -21.174 17.427 1.00 12.00 ? 1090 HOH A O 1 HETATM 3488 O O . HOH E 5 . ? 1.352 10.872 20.280 1.00 10.76 ? 1091 HOH A O 1 HETATM 3489 O O . HOH E 5 . ? 10.687 -17.089 29.692 1.00 12.31 ? 1092 HOH A O 1 HETATM 3490 O O . HOH E 5 . ? 17.866 9.621 -0.764 1.00 20.91 ? 1093 HOH A O 1 HETATM 3491 O O . HOH E 5 . ? 8.875 0.569 30.030 1.00 15.65 ? 1094 HOH A O 1 HETATM 3492 O O . HOH E 5 . ? -7.126 -8.287 28.619 1.00 17.24 ? 1095 HOH A O 1 HETATM 3493 O O . HOH E 5 . ? 13.622 -0.149 15.187 1.00 15.56 ? 1096 HOH A O 1 HETATM 3494 O O . HOH E 5 . ? 8.783 3.041 26.818 1.00 18.70 ? 1097 HOH A O 1 HETATM 3495 O O . HOH E 5 . ? -6.052 -17.209 13.902 1.00 14.31 ? 1098 HOH A O 1 HETATM 3496 O O . HOH E 5 . ? -4.960 -6.928 28.904 1.00 13.01 ? 1099 HOH A O 1 HETATM 3497 O O . HOH E 5 . ? 7.683 -8.439 -0.167 1.00 14.17 ? 1100 HOH A O 1 HETATM 3498 O O . HOH E 5 . ? -14.327 11.223 28.076 1.00 19.14 ? 1101 HOH A O 1 HETATM 3499 O O . HOH E 5 . ? 6.047 -6.552 0.785 1.00 13.50 ? 1102 HOH A O 1 HETATM 3500 O O . HOH E 5 . ? 9.452 6.399 25.871 1.00 23.23 ? 1103 HOH A O 1 HETATM 3501 O O . HOH E 5 . ? -1.267 -21.477 7.967 1.00 20.71 ? 1104 HOH A O 1 HETATM 3502 O O . HOH E 5 . ? -3.014 -10.606 34.768 1.00 18.15 ? 1105 HOH A O 1 HETATM 3503 O O . HOH E 5 . ? 7.177 21.252 12.193 1.00 20.02 ? 1106 HOH A O 1 HETATM 3504 O O . HOH E 5 . ? -9.115 -6.399 -1.253 1.00 21.45 ? 1107 HOH A O 1 HETATM 3505 O O . HOH E 5 . ? 7.340 -22.334 3.764 1.00 16.91 ? 1108 HOH A O 1 HETATM 3506 O O . HOH E 5 . ? -9.618 10.020 6.146 1.00 15.36 ? 1109 HOH A O 1 HETATM 3507 O O . HOH E 5 . ? -3.875 4.882 29.864 1.00 19.31 ? 1110 HOH A O 1 HETATM 3508 O O . HOH E 5 . ? 25.776 3.396 6.504 1.00 17.25 ? 1111 HOH A O 1 HETATM 3509 O O . HOH E 5 . ? -11.612 24.118 4.990 1.00 22.56 ? 1112 HOH A O 1 HETATM 3510 O O . HOH E 5 . ? -5.717 -13.528 23.880 1.00 20.36 ? 1113 HOH A O 1 HETATM 3511 O O . HOH E 5 . ? -9.667 23.324 3.400 1.00 22.79 ? 1114 HOH A O 1 HETATM 3512 O O . HOH E 5 . ? 19.366 -0.205 5.283 1.00 21.68 ? 1115 HOH A O 1 HETATM 3513 O O . HOH E 5 . ? 17.362 -5.763 1.977 1.00 26.52 ? 1116 HOH A O 1 HETATM 3514 O O . HOH E 5 . ? -14.889 0.239 3.368 1.00 19.24 ? 1117 HOH A O 1 HETATM 3515 O O . HOH E 5 . ? 15.899 8.481 3.087 1.00 14.80 ? 1118 HOH A O 1 HETATM 3516 O O . HOH E 5 . ? 21.768 -9.761 28.730 1.00 22.50 ? 1119 HOH A O 1 HETATM 3517 O O . HOH E 5 . ? 4.406 -25.421 9.082 1.00 19.28 ? 1120 HOH A O 1 HETATM 3518 O O . HOH E 5 . ? 1.764 -16.164 34.037 1.00 22.07 ? 1121 HOH A O 1 HETATM 3519 O O . HOH E 5 . ? -17.493 20.715 17.808 1.00 20.92 ? 1122 HOH A O 1 HETATM 3520 O O . HOH E 5 . ? -14.731 -5.404 19.356 1.00 18.27 ? 1123 HOH A O 1 HETATM 3521 O O . HOH E 5 . ? -14.852 -0.986 20.506 1.00 20.99 ? 1124 HOH A O 1 HETATM 3522 O O . HOH E 5 . ? -12.125 29.895 7.701 1.00 19.90 ? 1125 HOH A O 1 HETATM 3523 O O . HOH E 5 . ? 16.281 0.227 14.928 1.00 18.53 ? 1126 HOH A O 1 HETATM 3524 O O . HOH E 5 . ? 21.680 -10.297 25.090 1.00 15.88 ? 1127 HOH A O 1 HETATM 3525 O O . HOH E 5 . ? 18.619 -18.114 1.499 1.00 18.85 ? 1128 HOH A O 1 HETATM 3526 O O . HOH E 5 . ? -4.273 28.722 3.632 1.00 15.52 ? 1129 HOH A O 1 HETATM 3527 O O . HOH E 5 . ? 11.582 -22.336 28.186 1.00 20.36 ? 1130 HOH A O 1 HETATM 3528 O O . HOH E 5 . ? 29.390 -8.865 18.768 1.00 21.25 ? 1131 HOH A O 1 HETATM 3529 O O . HOH E 5 . ? 10.346 0.941 27.592 1.00 27.49 ? 1132 HOH A O 1 HETATM 3530 O O . HOH E 5 . ? -0.926 14.298 -6.392 1.00 22.59 ? 1133 HOH A O 1 HETATM 3531 O O . HOH E 5 . ? 20.006 -29.887 17.877 1.00 17.69 ? 1134 HOH A O 1 HETATM 3532 O O . HOH E 5 . ? -2.118 36.153 16.250 1.00 26.15 ? 1135 HOH A O 1 HETATM 3533 O O . HOH E 5 . ? -1.712 -19.741 4.218 1.00 24.09 ? 1136 HOH A O 1 HETATM 3534 O O . HOH E 5 . ? 12.310 -28.293 20.128 1.00 23.44 ? 1137 HOH A O 1 HETATM 3535 O O . HOH E 5 . ? 5.859 22.594 10.328 1.00 26.44 ? 1138 HOH A O 1 HETATM 3536 O O . HOH E 5 . ? -1.972 20.522 -4.885 1.00 18.20 ? 1139 HOH A O 1 HETATM 3537 O O . HOH E 5 . ? -15.128 9.996 23.795 1.00 16.23 ? 1140 HOH A O 1 HETATM 3538 O O . HOH E 5 . ? 4.624 -22.697 5.825 1.00 19.38 ? 1141 HOH A O 1 HETATM 3539 O O . HOH E 5 . ? 0.510 28.194 11.878 1.00 21.94 ? 1142 HOH A O 1 HETATM 3540 O O . HOH E 5 . ? -3.013 14.035 -3.766 1.00 23.26 ? 1143 HOH A O 1 HETATM 3541 O O . HOH E 5 . ? 23.270 -26.549 11.939 1.00 20.39 ? 1144 HOH A O 1 HETATM 3542 O O . HOH E 5 . ? -2.626 27.043 23.728 1.00 26.78 ? 1145 HOH A O 1 HETATM 3543 O O . HOH E 5 . ? 18.605 -16.081 29.487 1.00 28.77 ? 1146 HOH A O 1 HETATM 3544 O O . HOH E 5 . ? -3.895 -0.211 -0.222 1.00 17.90 ? 1147 HOH A O 1 HETATM 3545 O O . HOH E 5 . ? 3.451 27.049 12.432 1.00 20.73 ? 1148 HOH A O 1 HETATM 3546 O O . HOH E 5 . ? 9.477 26.833 19.700 1.00 20.85 ? 1149 HOH A O 1 HETATM 3547 O O . HOH E 5 . ? -1.988 15.099 30.984 1.00 31.72 ? 1150 HOH A O 1 HETATM 3548 O O . HOH E 5 . ? 9.914 17.607 8.391 1.00 23.96 ? 1151 HOH A O 1 HETATM 3549 O O . HOH E 5 . ? 13.419 1.452 18.061 1.00 17.90 ? 1152 HOH A O 1 HETATM 3550 O O . HOH E 5 . ? 10.399 5.634 20.767 1.00 18.30 ? 1153 HOH A O 1 HETATM 3551 O O . HOH E 5 . ? -0.322 31.060 16.973 1.00 23.09 ? 1154 HOH A O 1 HETATM 3552 O O . HOH E 5 . ? -4.169 -19.308 7.310 1.00 24.66 ? 1155 HOH A O 1 HETATM 3553 O O . HOH E 5 . ? -5.913 -24.736 18.865 1.00 26.65 ? 1156 HOH A O 1 HETATM 3554 O O . HOH E 5 . ? -7.149 -19.600 24.766 1.00 19.00 ? 1157 HOH A O 1 HETATM 3555 O O . HOH E 5 . ? 13.290 2.463 15.088 1.00 20.90 ? 1158 HOH A O 1 HETATM 3556 O O . HOH E 5 . ? -4.783 0.499 -2.732 1.00 24.30 ? 1159 HOH A O 1 HETATM 3557 O O . HOH E 5 . ? 17.323 -7.643 35.224 1.00 24.31 ? 1160 HOH A O 1 HETATM 3558 O O . HOH E 5 . ? -14.359 6.941 23.307 1.00 19.32 ? 1161 HOH A O 1 HETATM 3559 O O . HOH E 5 . ? -12.092 19.082 1.051 1.00 30.83 ? 1162 HOH A O 1 HETATM 3560 O O . HOH E 5 . ? 11.898 17.932 16.933 1.00 20.27 ? 1163 HOH A O 1 HETATM 3561 O O . HOH E 5 . ? 10.037 -27.865 23.007 1.00 30.27 ? 1164 HOH A O 1 HETATM 3562 O O . HOH E 5 . ? -2.064 -25.511 18.933 1.00 26.08 ? 1165 HOH A O 1 HETATM 3563 O O . HOH E 5 . ? -7.878 23.075 -4.226 1.00 26.14 ? 1166 HOH A O 1 HETATM 3564 O O . HOH E 5 . ? 12.082 13.477 1.459 1.00 15.05 ? 1167 HOH A O 1 HETATM 3565 O O . HOH E 5 . ? 12.316 -30.144 8.906 1.00 21.23 ? 1168 HOH A O 1 HETATM 3566 O O . HOH E 5 . ? -1.508 11.456 29.038 1.00 17.46 ? 1169 HOH A O 1 HETATM 3567 O O . HOH E 5 . ? -17.826 19.407 27.570 1.00 20.68 ? 1170 HOH A O 1 HETATM 3568 O O . HOH E 5 . ? -15.646 12.593 25.865 1.00 21.64 ? 1171 HOH A O 1 HETATM 3569 O O . HOH E 5 . ? 5.778 -22.619 1.388 1.00 18.19 ? 1172 HOH A O 1 HETATM 3570 O O . HOH E 5 . ? 8.448 -23.508 30.665 1.00 24.46 ? 1173 HOH A O 1 HETATM 3571 O O . HOH E 5 . ? 22.197 -30.914 13.639 1.00 22.10 ? 1174 HOH A O 1 HETATM 3572 O O . HOH E 5 . ? 7.131 11.784 -10.298 1.00 20.72 ? 1175 HOH A O 1 HETATM 3573 O O . HOH E 5 . ? 13.745 6.722 12.110 1.00 16.79 ? 1176 HOH A O 1 HETATM 3574 O O . HOH E 5 . ? 13.743 16.233 18.294 1.00 31.34 ? 1177 HOH A O 1 HETATM 3575 O O . HOH E 5 . ? 13.489 16.979 14.749 1.00 24.47 ? 1178 HOH A O 1 HETATM 3576 O O . HOH E 5 . ? -4.598 16.600 -4.278 1.00 27.09 ? 1179 HOH A O 1 HETATM 3577 O O . HOH E 5 . ? -7.566 21.174 -6.397 1.00 22.43 ? 1180 HOH A O 1 HETATM 3578 O O . HOH E 5 . ? 12.608 27.674 23.124 1.00 20.10 ? 1181 HOH A O 1 HETATM 3579 O O . HOH E 5 . ? -11.223 22.369 21.166 1.00 6.52 ? 1182 HOH A O 1 HETATM 3580 O O . HOH E 5 . ? 26.494 -26.830 17.169 1.00 21.21 ? 1183 HOH A O 1 HETATM 3581 O O . HOH E 5 . ? 12.523 25.583 25.050 1.00 18.54 ? 1184 HOH A O 1 HETATM 3582 O O . HOH E 5 . ? 12.906 22.749 24.476 1.00 20.32 ? 1185 HOH A O 1 HETATM 3583 O O . HOH E 5 . ? 19.020 -18.952 25.631 1.00 23.62 ? 1186 HOH A O 1 HETATM 3584 O O . HOH E 5 . ? -0.040 34.092 8.506 1.00 25.05 ? 1187 HOH A O 1 HETATM 3585 O O . HOH E 5 . ? 6.503 3.565 14.585 1.00 24.50 ? 1188 HOH A O 1 HETATM 3586 O O . HOH E 5 . ? 8.568 3.541 16.294 1.00 14.70 ? 1189 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 1 ? ? ? A . n A 1 2 ASN 2 2 ? ? ? A . n A 1 3 ASP 3 3 ? ? ? A . n A 1 4 THR 4 4 4 THR THR A . n A 1 5 ILE 5 5 5 ILE ILE A . n A 1 6 LEU 6 6 6 LEU LEU A . n A 1 7 PRO 7 7 7 PRO PRO A . n A 1 8 LEU 8 8 8 LEU LEU A . n A 1 9 ASN 9 9 9 ASN ASN A . n A 1 10 ASN 10 10 10 ASN ASN A . n A 1 11 ILE 11 11 11 ILE ILE A . n A 1 12 GLN 12 12 12 GLN GLN A . n A 1 13 GLY 13 13 13 GLY GLY A . n A 1 14 ASP 14 14 14 ASP ASP A . n A 1 15 ILE 15 15 15 ILE ILE A . n A 1 16 LEU 16 16 16 LEU LEU A . n A 1 17 VAL 17 17 17 VAL VAL A . n A 1 18 GLY 18 18 18 GLY GLY A . n A 1 19 MET 19 19 19 MET MET A . n A 1 20 LYS 20 20 20 LYS LYS A . n A 1 21 LYS 21 21 21 LYS LYS A . n A 1 22 GLN 22 22 22 GLN GLN A . n A 1 23 LYS 23 23 23 LYS LYS A . n A 1 24 GLU 24 24 24 GLU GLU A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 PHE 26 26 26 PHE PHE A . n A 1 27 VAL 27 27 27 VAL VAL A . n A 1 28 PHE 28 28 28 PHE PHE A . n A 1 29 PHE 29 29 29 PHE PHE A . n A 1 30 GLN 30 30 30 GLN GLN A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 ASN 32 32 32 ASN ASN A . n A 1 33 ASP 33 33 33 ASP ASP A . n A 1 34 ALA 34 34 34 ALA ALA A . n A 1 35 THR 35 35 35 THR THR A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 LYS 38 38 38 LYS LYS A . n A 1 39 THR 39 39 39 THR THR A . n A 1 40 ALA 40 40 40 ALA ALA A . n A 1 41 LEU 41 41 41 LEU LEU A . n A 1 42 LYS 42 42 42 LYS LYS A . n A 1 43 THR 43 43 43 THR THR A . n A 1 44 TYR 44 44 44 TYR TYR A . n A 1 45 VAL 45 45 45 VAL VAL A . n A 1 46 PRO 46 46 46 PRO PRO A . n A 1 47 GLU 47 47 47 GLU GLU A . n A 1 48 ARG 48 48 48 ARG ARG A . n A 1 49 ILE 49 49 49 ILE ILE A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 ALA 52 52 52 ALA ALA A . n A 1 53 ALA 53 53 53 ALA ALA A . n A 1 54 ILE 54 54 54 ILE ILE A . n A 1 55 LEU 55 55 55 LEU LEU A . n A 1 56 ILE 56 56 56 ILE ILE A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 ASP 58 58 58 ASP ASP A . n A 1 59 PRO 59 59 59 PRO PRO A . n A 1 60 SER 60 60 60 SER SER A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 GLN 62 62 62 GLN GLN A . n A 1 63 PRO 63 63 63 PRO PRO A . n A 1 64 LEU 64 64 64 LEU LEU A . n A 1 65 ALA 65 65 65 ALA ALA A . n A 1 66 PHE 66 66 66 PHE PHE A . n A 1 67 VAL 67 67 67 VAL VAL A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 GLY 70 70 70 GLY GLY A . n A 1 71 PHE 71 71 71 PHE PHE A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 ASN 73 73 73 ASN ASN A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 GLY 75 75 75 GLY GLY A . n A 1 76 LEU 76 76 76 LEU LEU A . n A 1 77 GLN 77 77 77 GLN GLN A . n A 1 78 ALA 78 78 78 ALA ALA A . n A 1 79 LEU 79 79 79 LEU LEU A . n A 1 80 GLY 80 80 80 GLY GLY A . n A 1 81 ILE 81 81 81 ILE ILE A . n A 1 82 THR 82 82 82 THR THR A . n A 1 83 ASP 83 83 83 ASP ASP A . n A 1 84 ASP 84 84 84 ASP ASP A . n A 1 85 LEU 85 85 85 LEU LEU A . n A 1 86 GLY 86 86 86 GLY GLY A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 GLN 89 89 89 GLN GLN A . n A 1 90 PHE 90 90 90 PHE PHE A . n A 1 91 PRO 91 91 91 PRO PRO A . n A 1 92 ASP 92 92 92 ASP ASP A . n A 1 93 GLY 93 93 93 GLY GLY A . n A 1 94 GLN 94 94 94 GLN GLN A . n A 1 95 PHE 95 95 95 PHE PHE A . n A 1 96 ALA 96 96 96 ALA ALA A . n A 1 97 ASP 97 97 97 ASP ASP A . n A 1 98 ALA 98 98 98 ALA ALA A . n A 1 99 ALA 99 99 99 ALA ALA A . n A 1 100 ASN 100 100 100 ASN ASN A . n A 1 101 LEU 101 101 101 LEU LEU A . n A 1 102 GLY 102 102 102 GLY GLY A . n A 1 103 ASP 103 103 103 ASP ASP A . n A 1 104 ASP 104 104 104 ASP ASP A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 SER 106 106 106 SER SER A . n A 1 107 GLN 107 107 107 GLN GLN A . n A 1 108 TRP 108 108 108 TRP TRP A . n A 1 109 VAL 109 109 109 VAL VAL A . n A 1 110 ALA 110 110 110 ALA ALA A . n A 1 111 PRO 111 111 111 PRO PRO A . n A 1 112 PHE 112 112 112 PHE PHE A . n A 1 113 THR 113 113 113 THR THR A . n A 1 114 GLY 114 114 114 GLY GLY A . n A 1 115 THR 115 115 115 THR THR A . n A 1 116 THR 116 116 116 THR THR A . n A 1 117 ILE 117 117 117 ILE ILE A . n A 1 118 HIS 118 118 118 HIS HIS A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 VAL 120 120 120 VAL VAL A . n A 1 121 PHE 121 121 121 PHE PHE A . n A 1 122 LEU 122 122 122 LEU LEU A . n A 1 123 ILE 123 123 123 ILE ILE A . n A 1 124 GLY 124 124 124 GLY GLY A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 ASP 126 126 126 ASP ASP A . n A 1 127 GLN 127 127 127 GLN GLN A . n A 1 128 ASP 128 128 128 ASP ASP A . n A 1 129 ASP 129 129 129 ASP ASP A . n A 1 130 PHE 130 130 130 PHE PHE A . n A 1 131 LEU 131 131 131 LEU LEU A . n A 1 132 ASP 132 132 132 ASP ASP A . n A 1 133 GLN 133 133 133 GLN GLN A . n A 1 134 PHE 134 134 134 PHE PHE A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 ASP 136 136 136 ASP ASP A . n A 1 137 ASP 137 137 137 ASP ASP A . n A 1 138 ILE 138 138 138 ILE ILE A . n A 1 139 SER 139 139 139 SER SER A . n A 1 140 SER 140 140 140 SER SER A . n A 1 141 THR 141 141 141 THR THR A . n A 1 142 PHE 142 142 142 PHE PHE A . n A 1 143 GLY 143 143 143 GLY GLY A . n A 1 144 SER 144 144 144 SER SER A . n A 1 145 SER 145 145 145 SER SER A . n A 1 146 ILE 146 146 146 ILE ILE A . n A 1 147 THR 147 147 147 THR THR A . n A 1 148 GLN 148 148 148 GLN GLN A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 GLN 150 150 150 GLN GLN A . n A 1 151 ALA 151 151 151 ALA ALA A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 SER 153 153 153 SER SER A . n A 1 154 GLY 154 154 154 GLY GLY A . n A 1 155 SER 155 155 155 SER SER A . n A 1 156 ALA 156 156 156 ALA ALA A . n A 1 157 ARG 157 157 157 ARG ARG A . n A 1 158 PRO 158 158 158 PRO PRO A . n A 1 159 GLY 159 159 159 GLY GLY A . n A 1 160 ASP 160 160 160 ASP ASP A . n A 1 161 GLN 161 161 161 GLN GLN A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 GLY 163 163 163 GLY GLY A . n A 1 164 HIS 164 164 164 HIS HIS A . n A 1 165 GLU 165 165 165 GLU GLU A . n A 1 166 HIS 166 166 166 HIS HIS A . n A 1 167 PHE 167 167 167 PHE PHE A . n A 1 168 GLY 168 168 168 GLY GLY A . n A 1 169 PHE 169 169 169 PHE PHE A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 ASP 171 171 171 ASP ASP A . n A 1 172 GLY 172 172 172 GLY GLY A . n A 1 173 ILE 173 173 173 ILE ILE A . n A 1 174 SER 174 174 174 SER SER A . n A 1 175 GLN 175 175 175 GLN GLN A . n A 1 176 PRO 176 176 176 PRO PRO A . n A 1 177 SER 177 177 177 SER SER 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 GLY 180 180 180 GLY GLY A . n A 1 181 TRP 181 181 181 TRP TRP A . n A 1 182 GLU 182 182 182 GLU GLU A . n A 1 183 THR 183 183 183 THR THR A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 VAL 185 185 185 VAL VAL A . n A 1 186 PHE 186 186 186 PHE PHE A . n A 1 187 PRO 187 187 187 PRO PRO A . n A 1 188 GLY 188 188 188 GLY GLY A . n A 1 189 GLN 189 189 189 GLN GLN A . n A 1 190 ALA 190 190 190 ALA ALA A . n A 1 191 VAL 191 191 191 VAL VAL A . n A 1 192 VAL 192 192 192 VAL VAL A . n A 1 193 PRO 193 193 193 PRO PRO A . n A 1 194 PRO 194 194 194 PRO PRO A . n A 1 195 GLY 195 195 195 GLY GLY A . n A 1 196 ILE 196 196 196 ILE ILE A . n A 1 197 ILE 197 197 197 ILE ILE A . n A 1 198 LEU 198 198 198 LEU LEU A . n A 1 199 THR 199 199 199 THR THR A . n A 1 200 GLY 200 200 200 GLY GLY A . n A 1 201 ARG 201 201 201 ARG ARG A . n A 1 202 ASP 202 202 202 ASP ASP A . n A 1 203 GLY 203 203 203 GLY GLY A . n A 1 204 ASP 204 204 204 ASP ASP A . n A 1 205 THR 205 205 205 THR THR A . n A 1 206 GLY 206 206 206 GLY GLY A . n A 1 207 THR 207 207 207 THR THR A . n A 1 208 ARG 208 208 208 ARG ARG A . n A 1 209 PRO 209 209 209 PRO PRO A . n A 1 210 SER 210 210 210 SER SER A . n A 1 211 TRP 211 211 211 TRP TRP A . n A 1 212 ALA 212 212 212 ALA ALA A . n A 1 213 LEU 213 213 213 LEU LEU A . n A 1 214 ASP 214 214 214 ASP ASP A . n A 1 215 GLY 215 215 215 GLY GLY A . n A 1 216 SER 216 216 216 SER SER A . n A 1 217 PHE 217 217 217 PHE PHE A . n A 1 218 MET 218 218 218 MET MET A . n A 1 219 ALA 219 219 219 ALA ALA A . n A 1 220 PHE 220 220 220 PHE PHE A . n A 1 221 ARG 221 221 221 ARG ARG A . n A 1 222 HIS 222 222 222 HIS HIS A . n A 1 223 PHE 223 223 223 PHE PHE A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 GLN 225 225 225 GLN GLN A . n A 1 226 LYS 226 226 226 LYS LYS A . n A 1 227 VAL 227 227 227 VAL VAL A . n A 1 228 PRO 228 228 228 PRO PRO A . n A 1 229 GLU 229 229 229 GLU GLU A . n A 1 230 PHE 230 230 230 PHE PHE A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 ALA 232 232 232 ALA ALA A . n A 1 233 TYR 233 233 233 TYR TYR A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 LEU 235 235 235 LEU LEU A . n A 1 236 ALA 236 236 236 ALA ALA A . n A 1 237 ASN 237 237 237 ASN ASN A . n A 1 238 ALA 238 238 238 ALA ALA A . n A 1 239 ILE 239 239 239 ILE ILE A . n A 1 240 PRO 240 240 240 PRO PRO A . n A 1 241 ALA 241 241 241 ALA ALA A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 SER 243 243 243 SER SER A . n A 1 244 ALA 244 244 244 ALA ALA A . n A 1 245 GLY 245 245 245 GLY GLY A . n A 1 246 ASN 246 246 246 ASN ASN A . n A 1 247 LEU 247 247 247 LEU LEU A . n A 1 248 THR 248 248 248 THR THR A . n A 1 249 GLN 249 249 249 GLN GLN A . n A 1 250 GLN 250 250 250 GLN GLN A . n A 1 251 GLU 251 251 251 GLU GLU A . n A 1 252 GLY 252 252 252 GLY GLY A . n A 1 253 ALA 253 253 253 ALA ALA A . n A 1 254 GLU 254 254 254 GLU GLU A . n A 1 255 PHE 255 255 255 PHE PHE A . n A 1 256 LEU 256 256 256 LEU LEU A . n A 1 257 GLY 257 257 257 GLY GLY A . n A 1 258 ALA 258 258 258 ALA ALA A . n A 1 259 ARG 259 259 259 ARG ARG A . n A 1 260 MET 260 260 260 MET MET A . n A 1 261 PHE 261 261 261 PHE PHE A . n A 1 262 GLY 262 262 262 GLY GLY A . n A 1 263 ARG 263 263 263 ARG ARG A . n A 1 264 TRP 264 264 264 TRP TRP A . n A 1 265 LYS 265 265 265 LYS LYS A . n A 1 266 SER 266 266 266 SER SER A . n A 1 267 GLY 267 267 267 GLY GLY A . n A 1 268 ALA 268 268 268 ALA ALA A . n A 1 269 PRO 269 269 269 PRO PRO A . n A 1 270 ILE 270 270 270 ILE ILE A . n A 1 271 ASP 271 271 271 ASP ASP A . n A 1 272 LEU 272 272 272 LEU LEU A . n A 1 273 ALA 273 273 273 ALA ALA A . n A 1 274 PRO 274 274 274 PRO PRO A . n A 1 275 THR 275 275 275 THR THR A . n A 1 276 ALA 276 276 276 ALA ALA A . n A 1 277 ASP 277 277 277 ASP ASP A . n A 1 278 ASP 278 278 278 ASP ASP A . n A 1 279 PRO 279 279 279 PRO PRO A . n A 1 280 ALA 280 280 280 ALA ALA A . n A 1 281 LEU 281 281 281 LEU LEU A . n A 1 282 GLY 282 282 282 GLY GLY A . n A 1 283 ALA 283 283 283 ALA ALA A . n A 1 284 ASP 284 284 284 ASP ASP A . n A 1 285 PRO 285 285 285 PRO PRO A . n A 1 286 GLN 286 286 286 GLN GLN A . n A 1 287 ARG 287 287 287 ARG ARG A . n A 1 288 ASN 288 288 288 ASN ASN A . n A 1 289 ASN 289 289 289 ASN ASN A . n A 1 290 ASN 290 290 290 ASN ASN A . n A 1 291 PHE 291 291 291 PHE PHE A . n A 1 292 ASP 292 292 292 ASP ASP A . n A 1 293 TYR 293 293 293 TYR TYR A . n A 1 294 SER 294 294 294 SER SER A . n A 1 295 ASP 295 295 295 ASP ASP A . n A 1 296 THR 296 296 296 THR THR A . n A 1 297 LEU 297 297 297 LEU LEU A . n A 1 298 THR 298 298 298 THR THR A . n A 1 299 ASP 299 299 299 ASP ASP A . n A 1 300 GLU 300 300 300 GLU GLU A . n A 1 301 THR 301 301 301 THR THR A . n A 1 302 ARG 302 302 302 ARG ARG A . n A 1 303 CYS 303 303 303 CYS CYS A . n A 1 304 PRO 304 304 304 PRO PRO A . n A 1 305 PHE 305 305 305 PHE PHE A . n A 1 306 GLY 306 306 306 GLY GLY A . n A 1 307 ALA 307 307 307 ALA ALA A . n A 1 308 HIS 308 308 308 HIS HIS A . n A 1 309 VAL 309 309 309 VAL VAL A . n A 1 310 ARG 310 310 310 ARG ARG A . n A 1 311 LYS 311 311 311 LYS LYS A . n A 1 312 THR 312 312 312 THR THR A . n A 1 313 ASN 313 313 313 ASN ASN A . n A 1 314 PRO 314 314 314 PRO PRO A . n A 1 315 ARG 315 315 315 ARG ARG A . n A 1 316 GLN 316 316 316 GLN GLN A . n A 1 317 ASP 317 317 317 ASP ASP A . n A 1 318 LEU 318 318 318 LEU LEU A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 GLY 320 320 320 GLY GLY A . n A 1 321 PRO 321 321 321 PRO PRO A . n A 1 322 VAL 322 322 322 VAL VAL A . n A 1 323 ASP 323 323 323 ASP ASP A . n A 1 324 THR 324 324 324 THR THR A . n A 1 325 PHE 325 325 325 PHE PHE A . n A 1 326 HIS 326 326 326 HIS HIS A . n A 1 327 ALA 327 327 327 ALA ALA A . n A 1 328 MET 328 328 328 MET MET A . n A 1 329 ARG 329 329 329 ARG ARG A . n A 1 330 SER 330 330 330 SER SER A . n A 1 331 SER 331 331 331 SER SER A . n A 1 332 ILE 332 332 332 ILE ILE A . n A 1 333 PRO 333 333 333 PRO PRO A . n A 1 334 TYR 334 334 334 TYR TYR A . n A 1 335 GLY 335 335 335 GLY GLY A . n A 1 336 PRO 336 336 336 PRO PRO A . n A 1 337 GLU 337 337 337 GLU GLU A . n A 1 338 THR 338 338 338 THR THR A . n A 1 339 SER 339 339 339 SER SER A . n A 1 340 ASP 340 340 340 ASP ASP A . n A 1 341 ALA 341 341 341 ALA ALA A . n A 1 342 GLU 342 342 342 GLU GLU A . n A 1 343 LEU 343 343 343 LEU LEU A . n A 1 344 ALA 344 344 344 ALA ALA A . n A 1 345 SER 345 345 345 SER SER A . n A 1 346 GLY 346 346 346 GLY GLY A . n A 1 347 VAL 347 347 347 VAL VAL A . n A 1 348 THR 348 348 348 THR THR A . n A 1 349 ALA 349 349 349 ALA ALA A . n A 1 350 GLN 350 350 350 GLN GLN A . n A 1 351 ASP 351 351 351 ASP ASP A . n A 1 352 ARG 352 352 352 ARG ARG A . n A 1 353 GLY 353 353 353 GLY GLY A . n A 1 354 LEU 354 354 354 LEU LEU A . n A 1 355 LEU 355 355 355 LEU LEU A . n A 1 356 PHE 356 356 356 PHE PHE A . n A 1 357 VAL 357 357 357 VAL VAL A . n A 1 358 GLU 358 358 358 GLU GLU A . n A 1 359 TYR 359 359 359 TYR TYR A . n A 1 360 GLN 360 360 360 GLN GLN A . n A 1 361 SER 361 361 361 SER SER A . n A 1 362 ILE 362 362 362 ILE ILE A . n A 1 363 ILE 363 363 363 ILE ILE A . n A 1 364 GLY 364 364 364 GLY GLY A . n A 1 365 ASN 365 365 365 ASN ASN A . n A 1 366 GLY 366 366 366 GLY GLY A . n A 1 367 PHE 367 367 367 PHE PHE A . n A 1 368 ARG 368 368 368 ARG ARG A . n A 1 369 PHE 369 369 369 PHE PHE A . n A 1 370 GLN 370 370 370 GLN GLN A . n A 1 371 GLN 371 371 371 GLN GLN A . n A 1 372 ILE 372 372 372 ILE ILE A . n A 1 373 ASN 373 373 373 ASN ASN A . n A 1 374 TRP 374 374 374 TRP TRP A . n A 1 375 ALA 375 375 375 ALA ALA A . n A 1 376 ASN 376 376 376 ASN ASN A . n A 1 377 ASN 377 377 377 ASN ASN A . n A 1 378 ALA 378 378 378 ALA ALA A . n A 1 379 ASN 379 379 379 ASN ASN A . n A 1 380 PHE 380 380 380 PHE PHE A . n A 1 381 PRO 381 381 381 PRO PRO A . n A 1 382 PHE 382 382 382 PHE PHE A . n A 1 383 SER 383 383 383 SER SER A . n A 1 384 LYS 384 384 384 LYS LYS A . n A 1 385 PRO 385 385 385 PRO PRO A . n A 1 386 ILE 386 386 386 ILE ILE A . n A 1 387 THR 387 387 387 THR THR A . n A 1 388 PRO 388 388 388 PRO PRO A . n A 1 389 GLY 389 389 389 GLY GLY A . n A 1 390 ILE 390 390 390 ILE ILE A . n A 1 391 GLU 391 391 391 GLU GLU A . n A 1 392 PRO 392 392 392 PRO PRO A . n A 1 393 ILE 393 393 393 ILE ILE 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 GLN 396 396 396 GLN GLN A . n A 1 397 THR 397 397 397 THR THR A . n A 1 398 THR 398 398 398 THR THR A . n A 1 399 PRO 399 399 399 PRO PRO A . n A 1 400 ARG 400 400 400 ARG ARG A . n A 1 401 THR 401 401 401 THR THR A . n A 1 402 VAL 402 402 402 VAL VAL A . n A 1 403 GLY 403 403 403 GLY GLY A . n A 1 404 GLY 404 404 404 GLY GLY A . n A 1 405 LEU 405 405 405 LEU LEU A . n A 1 406 ASP 406 406 406 ASP ASP A . n A 1 407 PRO 407 407 407 PRO PRO A . n A 1 408 LEU 408 408 408 LEU LEU A . n A 1 409 ASN 409 409 409 ASN ASN A . n A 1 410 GLN 410 410 410 GLN GLN A . n A 1 411 ASN 411 411 411 ASN ASN A . n A 1 412 GLU 412 412 412 GLU GLU A . n A 1 413 THR 413 413 413 THR THR A . n A 1 414 PHE 414 414 414 PHE PHE A . n A 1 415 THR 415 415 415 THR THR A . n A 1 416 VAL 416 416 416 VAL VAL A . n A 1 417 PRO 417 417 417 PRO PRO A . n A 1 418 LEU 418 418 418 LEU LEU A . n A 1 419 PHE 419 419 419 PHE PHE A . n A 1 420 VAL 420 420 420 VAL VAL A . n A 1 421 ILE 421 421 421 ILE ILE A . n A 1 422 PRO 422 422 422 PRO PRO A . n A 1 423 LYS 423 423 423 LYS LYS A . n A 1 424 GLY 424 424 424 GLY GLY A . n A 1 425 GLY 425 425 425 GLY GLY A . n A 1 426 GLU 426 426 426 GLU GLU A . n A 1 427 TYR 427 427 427 TYR TYR A . n A 1 428 PHE 428 428 428 PHE PHE A . n A 1 429 PHE 429 429 429 PHE PHE A . n A 1 430 LEU 430 430 430 LEU LEU A . n A 1 431 PRO 431 431 431 PRO PRO A . n A 1 432 SER 432 432 432 SER SER A . n A 1 433 ILE 433 433 433 ILE ILE A . n A 1 434 SER 434 434 434 SER SER A . n A 1 435 ALA 435 435 435 ALA ALA A . n A 1 436 LEU 436 436 436 LEU LEU A . n A 1 437 THR 437 437 437 THR THR A . n A 1 438 ALA 438 438 438 ALA ALA A . n A 1 439 THR 439 439 439 THR THR A . n A 1 440 ILE 440 440 440 ILE ILE A . n A 1 441 ALA 441 441 441 ALA ALA A . n A 1 442 ALA 442 442 442 ALA ALA 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 HEM 1 501 501 HEM HEM A . C 3 NAG 1 502 502 NAG NAG A . D 4 CYN 1 503 503 CYN CN A . E 5 HOH 1 1001 1001 HOH HOH A . E 5 HOH 2 1002 1002 HOH HOH A . E 5 HOH 3 1003 1003 HOH HOH A . E 5 HOH 4 1004 1004 HOH HOH A . E 5 HOH 5 1005 1005 HOH HOH A . E 5 HOH 6 1006 1006 HOH HOH A . E 5 HOH 7 1007 1007 HOH HOH A . E 5 HOH 8 1008 1008 HOH HOH A . E 5 HOH 9 1009 1009 HOH HOH A . E 5 HOH 10 1010 1010 HOH HOH A . E 5 HOH 11 1011 1011 HOH HOH A . E 5 HOH 12 1012 1012 HOH HOH A . E 5 HOH 13 1013 1013 HOH HOH A . E 5 HOH 14 1014 1014 HOH HOH A . E 5 HOH 15 1015 1015 HOH HOH A . E 5 HOH 16 1016 1016 HOH HOH A . E 5 HOH 17 1017 1017 HOH HOH A . E 5 HOH 18 1018 1018 HOH HOH A . E 5 HOH 19 1019 1019 HOH HOH A . E 5 HOH 20 1020 1020 HOH HOH A . E 5 HOH 21 1021 1021 HOH HOH A . E 5 HOH 22 1022 1022 HOH HOH A . E 5 HOH 23 1023 1023 HOH HOH A . E 5 HOH 24 1024 1024 HOH HOH A . E 5 HOH 25 1025 1025 HOH HOH A . E 5 HOH 26 1026 1026 HOH HOH A . E 5 HOH 27 1027 1027 HOH HOH A . E 5 HOH 28 1028 1028 HOH HOH A . E 5 HOH 29 1029 1029 HOH HOH A . E 5 HOH 30 1030 1030 HOH HOH A . E 5 HOH 31 1031 1031 HOH HOH A . E 5 HOH 32 1032 1032 HOH HOH A . E 5 HOH 33 1033 1033 HOH HOH A . E 5 HOH 34 1034 1034 HOH HOH A . E 5 HOH 35 1035 1035 HOH HOH A . E 5 HOH 36 1036 1036 HOH HOH A . E 5 HOH 37 1037 1037 HOH HOH A . E 5 HOH 38 1038 1038 HOH HOH A . E 5 HOH 39 1039 1039 HOH HOH A . E 5 HOH 40 1040 1040 HOH HOH A . E 5 HOH 41 1041 1041 HOH HOH A . E 5 HOH 42 1042 1042 HOH HOH A . E 5 HOH 43 1043 1043 HOH HOH A . E 5 HOH 44 1044 1044 HOH HOH A . E 5 HOH 45 1045 1045 HOH HOH A . E 5 HOH 46 1046 1046 HOH HOH A . E 5 HOH 47 1047 1047 HOH HOH A . E 5 HOH 48 1048 1048 HOH HOH A . E 5 HOH 49 1049 1049 HOH HOH A . E 5 HOH 50 1050 1050 HOH HOH A . E 5 HOH 51 1051 1051 HOH HOH A . E 5 HOH 52 1052 1052 HOH HOH A . E 5 HOH 53 1053 1053 HOH HOH A . E 5 HOH 54 1054 1054 HOH HOH A . E 5 HOH 55 1055 1055 HOH HOH A . E 5 HOH 56 1056 1056 HOH HOH A . E 5 HOH 57 1057 1057 HOH HOH A . E 5 HOH 58 1058 1058 HOH HOH A . E 5 HOH 59 1059 1059 HOH HOH A . E 5 HOH 60 1060 1060 HOH HOH A . E 5 HOH 61 1061 1061 HOH HOH A . E 5 HOH 62 1062 1062 HOH HOH A . E 5 HOH 63 1063 1063 HOH HOH A . E 5 HOH 64 1064 1064 HOH HOH A . E 5 HOH 65 1065 1065 HOH HOH A . E 5 HOH 66 1066 1066 HOH HOH A . E 5 HOH 67 1067 1067 HOH HOH A . E 5 HOH 68 1068 1068 HOH HOH A . E 5 HOH 69 1069 1069 HOH HOH A . E 5 HOH 70 1070 1070 HOH HOH A . E 5 HOH 71 1071 1071 HOH HOH A . E 5 HOH 72 1072 1072 HOH HOH A . E 5 HOH 73 1073 1073 HOH HOH A . E 5 HOH 74 1074 1074 HOH HOH A . E 5 HOH 75 1075 1075 HOH HOH A . E 5 HOH 76 1076 1076 HOH HOH A . E 5 HOH 77 1077 1077 HOH HOH A . E 5 HOH 78 1078 1078 HOH HOH A . E 5 HOH 79 1079 1079 HOH HOH A . E 5 HOH 80 1080 1080 HOH HOH A . E 5 HOH 81 1081 1081 HOH HOH A . E 5 HOH 82 1082 1082 HOH HOH A . E 5 HOH 83 1083 1083 HOH HOH A . E 5 HOH 84 1084 1084 HOH HOH A . E 5 HOH 85 1085 1085 HOH HOH A . E 5 HOH 86 1086 1086 HOH HOH A . E 5 HOH 87 1087 1087 HOH HOH A . E 5 HOH 88 1088 1088 HOH HOH A . E 5 HOH 89 1089 1089 HOH HOH A . E 5 HOH 90 1090 1090 HOH HOH A . E 5 HOH 91 1091 1091 HOH HOH A . E 5 HOH 92 1092 1092 HOH HOH A . E 5 HOH 93 1093 1093 HOH HOH A . E 5 HOH 94 1094 1094 HOH HOH A . E 5 HOH 95 1095 1095 HOH HOH A . E 5 HOH 96 1096 1096 HOH HOH A . E 5 HOH 97 1097 1097 HOH HOH A . E 5 HOH 98 1098 1098 HOH HOH A . E 5 HOH 99 1099 1099 HOH HOH A . E 5 HOH 100 1100 1100 HOH HOH A . E 5 HOH 101 1101 1101 HOH HOH A . E 5 HOH 102 1102 1102 HOH HOH A . E 5 HOH 103 1103 1103 HOH HOH A . E 5 HOH 104 1104 1104 HOH HOH A . E 5 HOH 105 1105 1105 HOH HOH A . E 5 HOH 106 1106 1106 HOH HOH A . E 5 HOH 107 1107 1107 HOH HOH A . E 5 HOH 108 1108 1108 HOH HOH A . E 5 HOH 109 1109 1109 HOH HOH A . E 5 HOH 110 1110 1110 HOH HOH A . E 5 HOH 111 1111 1111 HOH HOH A . E 5 HOH 112 1112 1112 HOH HOH A . E 5 HOH 113 1113 1113 HOH HOH A . E 5 HOH 114 1114 1114 HOH HOH A . E 5 HOH 115 1115 1115 HOH HOH A . E 5 HOH 116 1116 1116 HOH HOH A . E 5 HOH 117 1117 1117 HOH HOH A . E 5 HOH 118 1118 1118 HOH HOH A . E 5 HOH 119 1119 1119 HOH HOH A . E 5 HOH 120 1120 1120 HOH HOH A . E 5 HOH 121 1121 1121 HOH HOH A . E 5 HOH 122 1122 1122 HOH HOH A . E 5 HOH 123 1123 1123 HOH HOH A . E 5 HOH 124 1124 1124 HOH HOH A . E 5 HOH 125 1125 1125 HOH HOH A . E 5 HOH 126 1126 1126 HOH HOH A . E 5 HOH 127 1127 1127 HOH HOH A . E 5 HOH 128 1128 1128 HOH HOH A . E 5 HOH 129 1129 1129 HOH HOH A . E 5 HOH 130 1130 1130 HOH HOH A . E 5 HOH 131 1131 1131 HOH HOH A . E 5 HOH 132 1132 1132 HOH HOH A . E 5 HOH 133 1133 1133 HOH HOH A . E 5 HOH 134 1134 1134 HOH HOH A . E 5 HOH 135 1135 1135 HOH HOH A . E 5 HOH 136 1136 1136 HOH HOH A . E 5 HOH 137 1137 1137 HOH HOH A . E 5 HOH 138 1138 1138 HOH HOH A . E 5 HOH 139 1139 1139 HOH HOH A . E 5 HOH 140 1140 1140 HOH HOH A . E 5 HOH 141 1141 1141 HOH HOH A . E 5 HOH 142 1142 1142 HOH HOH A . E 5 HOH 143 1143 1143 HOH HOH A . E 5 HOH 144 1144 1144 HOH HOH A . E 5 HOH 145 1145 1145 HOH HOH A . E 5 HOH 146 1146 1146 HOH HOH A . E 5 HOH 147 1147 1147 HOH HOH A . E 5 HOH 148 1148 1148 HOH HOH A . E 5 HOH 149 1149 1149 HOH HOH A . E 5 HOH 150 1150 1150 HOH HOH A . E 5 HOH 151 1151 1151 HOH HOH A . E 5 HOH 152 1152 1152 HOH HOH A . E 5 HOH 153 1153 1153 HOH HOH A . E 5 HOH 154 1154 1154 HOH HOH A . E 5 HOH 155 1155 1155 HOH HOH A . E 5 HOH 156 1156 1156 HOH HOH A . E 5 HOH 157 1157 1157 HOH HOH A . E 5 HOH 158 1158 1158 HOH HOH A . E 5 HOH 159 1159 1159 HOH HOH A . E 5 HOH 160 1160 1160 HOH HOH A . E 5 HOH 161 1161 1161 HOH HOH A . E 5 HOH 162 1162 1162 HOH HOH A . E 5 HOH 163 1163 1163 HOH HOH A . E 5 HOH 164 1164 1164 HOH HOH A . E 5 HOH 165 1165 1165 HOH HOH A . E 5 HOH 166 1166 1166 HOH HOH A . E 5 HOH 167 1167 1167 HOH HOH A . E 5 HOH 168 1168 1168 HOH HOH A . E 5 HOH 169 1169 1169 HOH HOH A . E 5 HOH 170 1170 1170 HOH HOH A . E 5 HOH 171 1171 1171 HOH HOH A . E 5 HOH 172 1172 1172 HOH HOH A . E 5 HOH 173 1173 1173 HOH HOH A . E 5 HOH 174 1174 1174 HOH HOH A . E 5 HOH 175 1175 1175 HOH HOH A . E 5 HOH 176 1176 1176 HOH HOH A . E 5 HOH 177 1177 1177 HOH HOH A . E 5 HOH 178 1178 1178 HOH HOH A . E 5 HOH 179 1179 1179 HOH HOH A . E 5 HOH 180 1180 1180 HOH HOH A . E 5 HOH 181 1181 1181 HOH HOH A . E 5 HOH 182 1182 1182 HOH HOH A . E 5 HOH 183 1183 1183 HOH HOH A . E 5 HOH 184 1184 1184 HOH HOH A . E 5 HOH 185 1185 1185 HOH HOH A . E 5 HOH 186 1186 1186 HOH HOH A . E 5 HOH 187 1187 1187 HOH HOH A . E 5 HOH 188 1188 1188 HOH HOH A . E 5 HOH 189 1189 1189 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 246 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 246 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E # _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 2011-04-27 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2011-10-26 4 'Structure model' 1 3 2017-11-08 # _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' 'Database references' 3 3 'Structure model' 'Source and taxonomy' 4 4 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_phasing_MR.entry_id 3MM2 _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details ? _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 3.000 _pdbx_phasing_MR.d_res_low_rotation 26.760 _pdbx_phasing_MR.d_res_high_translation 3.000 _pdbx_phasing_MR.d_res_low_translation 26.760 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 MOLREP . ? program 'Alexei Vaguine' alexei@ysbl.york.ac.uk phasing http://www.ccp4.ac.uk/dist/html/molrep.html Fortran_77 ? 4 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 5 PDB_EXTRACT 3.100 'Jan. 22, 2010' package PDB help@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 FE A HEM 501 ? ? C A CYN 503 ? ? 2.09 2 1 NE2 A HIS 308 ? ? FE A HEM 501 ? ? 2.11 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 292 ? ? -147.48 12.13 2 1 THR A 296 ? ? -152.55 34.53 3 1 ARG A 315 ? ? 48.86 -124.83 4 1 TRP A 374 ? ? -110.21 -70.03 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A ALA 1 ? A ALA 1 2 1 Y 1 A ASN 2 ? A ASN 2 3 1 Y 1 A ASP 3 ? A ASP 3 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'PROTOPORPHYRIN IX CONTAINING FE' HEM 3 N-ACETYL-D-GLUCOSAMINE NAG 4 'CYANIDE ION' CYN 5 water HOH #